Upload 75 files

2J_coupling_fullset/2J_couplings.csv

@@ -0,0 +1,37 @@
+entry_id,file_name,pdb_id,sequence_length,sequence,experiment_code,num_measurements
+16579,16579_2JCaN__loop0.csv,1AKT,147,PKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWNDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAI,2JCaN_,144
+16579,16579_2JHNCa_loop0.csv,1AKT,147,PKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWNDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAI,2JHNCa,132
+16579,16579_2JCOHN_loop0.csv,1AKT,147,PKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWNDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAI,2JCOHN,137
+16579,16579_2JN_Ha_loop0.csv,1AKT,147,PKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWNDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAI,2JN_Ha,123
+16580,16580_2JCaN__loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JCaN_,95
+16580,16580_2JHNCa_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JHNCa,92
+16580,16580_2JCOHN_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JCOHN,93
+16580,16580_2JCOCa_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JCOCa,91
+16580,16580_2JHaCO_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JHaCO,90
+16580,16580_2JHaCb_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JHaCb,69
+16580,16580_2JCbCO_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JCbCO,68
+16580,16580_2JN_HA_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JN_HA,74
+16580,16580_2JN_CB_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JN_CB,63
+16580,16580_2JN_CO_loop0.csv,1I0X,104,ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT,2JN_CO,89
+16581,16581_2JCaN__loop0.csv,3T3X,129,GTLGHPGSLDETTYERLAEETLDSLAEFFEDLADKPYTFEDYDVSFGSGVLTVKLGGDLGTYVINKQTPNKQIWLSSPSSGPKCYDWTGKNWVYSHDGVSLHELLAAELTKALKTKLDLSSLAYSGKDA,2JCaN_,112
+16581,16581_2JHNCa_loop0.csv,3T3X,129,GTLGHPGSLDETTYERLAEETLDSLAEFFEDLADKPYTFEDYDVSFGSGVLTVKLGGDLGTYVINKQTPNKQIWLSSPSSGPKCYDWTGKNWVYSHDGVSLHELLAAELTKALKTKLDLSSLAYSGKDA,2JHNCa,111
+16582,16582_2JCaN__loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JCaN_,70
+16582,16582_2JHNCa_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JHNCa,70
+16582,16582_2JCOHN_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JCOHN,70
+16582,16582_2JCOCa_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JCOCa,70
+16582,16582_2JHaCO_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JHaCO,70
+16582,16582_2JHaCb_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JHaCb,59
+16582,16582_2JCbCO_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JCbCO,51
+16582,16582_2JN_Ha_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JN_Ha,64
+16582,16582_2JN_Cb_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JN_Cb,49
+16582,16582_2JN_CO_loop0.csv,3U30,613,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECMGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG,2JN_CO,70
+16583,16583_2JCaN__loop0.csv,1QH7,207,QIVTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYLCVYGWTVDPLVEYYIVDSWGNWRPPGATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSNHFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSNTLRINGNPLS,2JCaN_,197
+16583,16583_2JHNCa_loop0.csv,1QH7,207,QIVTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYLCVYGWTVDPLVEYYIVDSWGNWRPPGATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSNHFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSNTLRINGNPLS,2JHNCa,192
+16583,16583_2JCOHN_loop0.csv,1QH7,207,QIVTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYLCVYGWTVDPLVEYYIVDSWGNWRPPGATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSNHFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSNTLRINGNPLS,2JCOHN,196
+16583,16583_2JN_Ha_loop0.csv,1QH7,207,QIVTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYLCVYGWTVDPLVEYYIVDSWGNWRPPGATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSNHFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSNTLRINGNPLS,2JN_Ha,170
+16583,16583_2JHaCO_loop0.csv,1QH7,207,QIVTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYLCVYGWTVDPLVEYYIVDSWGNWRPPGATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSNHFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSNTLRINGNPLS,2JHaCO,129
+16583,16583_2JHaCb_loop0.csv,1QH7,207,QIVTDNSIGNHDGYDYEFWKDSGGSGTMILNHGGTFSAQWNNVNNILFRKGKKFNETQTHQQVGNMSINYGANFQPNGNAYLCVYGWTVDPLVEYYIVDSWGNWRPPGATPKGTITVDGGTYDIYETLRVNQPSIKGIATFKQYWSVRRSKRTSGTISVSNHFRAWENLGMNMGKMYEVALTVEGYQSSGSANVYSNTLRINGNPLS,2JHaCb,93
+16584,16584_2JCaN__loop0.csv,2IAO,312,IPVIEPLFTKVTEDIPGAEGPVFDKNGDFYIVAPQVEVNGKPAGEILRIDLKTGKKTVICKPEVNGYGGIPAGCQCDRDANQLFVADMRLGLLVVQTDGTFEEIAKKDSEGRRMQGCNDCAFDYEGNLWITAPAGEVAPADYTRSMQEKFGSIYCFTTDGQMIQVDTAFQFPNGIAVRHMNDGRPYQLIVAETPTKKLWSYDIKGPAKIENKKVWGHIPGTHEGGADGMDFDEDNNLLVANWGSSHIEVFGPDGGQPKMRIRCPFEKPSNLHFKPQTKTIFVTEHENNAVWKFEWQRNGKKQYCETLKFGIF,2JCaN_,207
+16584,16584_2JHNCa_loop0.csv,2IAO,312,IPVIEPLFTKVTEDIPGAEGPVFDKNGDFYIVAPQVEVNGKPAGEILRIDLKTGKKTVICKPEVNGYGGIPAGCQCDRDANQLFVADMRLGLLVVQTDGTFEEIAKKDSEGRRMQGCNDCAFDYEGNLWITAPAGEVAPADYTRSMQEKFGSIYCFTTDGQMIQVDTAFQFPNGIAVRHMNDGRPYQLIVAETPTKKLWSYDIKGPAKIENKKVWGHIPGTHEGGADGMDFDEDNNLLVANWGSSHIEVFGPDGGQPKMRIRCPFEKPSNLHFKPQTKTIFVTEHENNAVWKFEWQRNGKKQYCETLKFGIF,2JHNCa,181
+16584,16584_2JCOHN_loop0.csv,2IAO,312,IPVIEPLFTKVTEDIPGAEGPVFDKNGDFYIVAPQVEVNGKPAGEILRIDLKTGKKTVICKPEVNGYGGIPAGCQCDRDANQLFVADMRLGLLVVQTDGTFEEIAKKDSEGRRMQGCNDCAFDYEGNLWITAPAGEVAPADYTRSMQEKFGSIYCFTTDGQMIQVDTAFQFPNGIAVRHMNDGRPYQLIVAETPTKKLWSYDIKGPAKIENKKVWGHIPGTHEGGADGMDFDEDNNLLVANWGSSHIEVFGPDGGQPKMRIRCPFEKPSNLHFKPQTKTIFVTEHENNAVWKFEWQRNGKKQYCETLKFGIF,2JCOHN,193
+16584,16584_2JN_Ha_loop0.csv,2IAO,312,IPVIEPLFTKVTEDIPGAEGPVFDKNGDFYIVAPQVEVNGKPAGEILRIDLKTGKKTVICKPEVNGYGGIPAGCQCDRDANQLFVADMRLGLLVVQTDGTFEEIAKKDSEGRRMQGCNDCAFDYEGNLWITAPAGEVAPADYTRSMQEKFGSIYCFTTDGQMIQVDTAFQFPNGIAVRHMNDGRPYQLIVAETPTKKLWSYDIKGPAKIENKKVWGHIPGTHEGGADGMDFDEDNNLLVANWGSSHIEVFGPDGGQPKMRIRCPFEKPSNLHFKPQTKTIFVTEHENNAVWKFEWQRNGKKQYCETLKFGIF,2JN_Ha,215

2J_coupling_fullset/experiments/16579_2JCOHN_loop0.csv

@@ -0,0 +1,138 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JCOHN,,1,1,1,1,PRO,C,C,13,1,,1,1,2,2,LYS,H,H,1,1,3.78,,,0.5,,,1,2,Pro,C,1,3,Lys,HN,,16579,3
+2,2JCOHN,,1,1,2,2,LYS,C,C,13,1,,1,1,3,3,ALA,H,H,1,1,3.88,,,0.5,,,1,3,Lys,C,1,4,Ala,HN,,16579,3
+3,2JCOHN,,1,1,3,3,ALA,C,C,13,1,,1,1,4,4,LEU,H,H,1,1,4.14,,,0.5,,,1,4,Ala,C,1,5,Leu,HN,,16579,3
+4,2JCOHN,,1,1,4,4,LEU,C,C,13,1,,1,1,5,5,ILE,H,H,1,1,3.94,,,0.5,,,1,5,Leu,C,1,6,Ile,HN,,16579,3
+5,2JCOHN,,1,1,5,5,ILE,C,C,13,1,,1,1,6,6,VAL,H,H,1,1,4.08,,,0.5,,,1,6,Ile,C,1,7,Val,HN,,16579,3
+6,2JCOHN,,1,1,6,6,VAL,C,C,13,1,,1,1,7,7,TYR,H,H,1,1,4.06,,,0.5,,,1,7,Val,C,1,8,Tyr,HN,,16579,3
+7,2JCOHN,,1,1,7,7,TYR,C,C,13,1,,1,1,8,8,GLY,H,H,1,1,4.05,,,0.5,,,1,8,Tyr,C,1,9,Gly,HN,,16579,3
+8,2JCOHN,,1,1,8,8,GLY,C,C,13,1,,1,1,9,9,SER,H,H,1,1,3.82,,,0.5,,,1,9,Gly,C,1,10,Ser,HN,,16579,3
+9,2JCOHN,,1,1,9,9,SER,C,C,13,1,,1,1,10,10,THR,H,H,1,1,4.51,,,0.5,,,1,10,Ser,C,1,11,Thr,HN,,16579,3
+10,2JCOHN,,1,1,10,10,THR,C,C,13,1,,1,1,11,11,THR,H,H,1,1,5.09,,,0.5,,,1,11,Thr,C,1,12,Thr,HN,,16579,3
+11,2JCOHN,,1,1,11,11,THR,C,C,13,1,,1,1,12,12,GLY,H,H,1,1,4.62,,,0.5,,,1,12,Thr,C,1,13,Gly,HN,,16579,3
+12,2JCOHN,,1,1,12,12,GLY,C,C,13,1,,1,1,13,13,ASN,H,H,1,1,4.37,,,0.5,,,1,13,Gly,C,1,14,Asn,HN,,16579,3
+13,2JCOHN,,1,1,13,13,ASN,C,C,13,1,,1,1,14,14,THR,H,H,1,1,3.88,,,0.5,,,1,14,Asn,C,1,15,Thr,HN,,16579,3
+14,2JCOHN,,1,1,14,14,THR,C,C,13,1,,1,1,15,15,GLU,H,H,1,1,3.7,,,0.5,,,1,15,Thr,C,1,16,Glu,HN,,16579,3
+15,2JCOHN,,1,1,15,15,GLU,C,C,13,1,,1,1,16,16,TYR,H,H,1,1,4.48,,,0.5,,,1,16,Glu,C,1,17,Tyr,HN,,16579,3
+16,2JCOHN,,1,1,16,16,TYR,C,C,13,1,,1,1,17,17,THR,H,H,1,1,3.43,,,0.5,,,1,17,Tyr,C,1,18,Thr,HN,,16579,3
+17,2JCOHN,,1,1,17,17,THR,C,C,13,1,,1,1,18,18,ALA,H,H,1,1,4.22,,,0.5,,,1,18,Thr,C,1,19,Ala,HN,,16579,3
+18,2JCOHN,,1,1,18,18,ALA,C,C,13,1,,1,1,19,19,GLU,H,H,1,1,3.9,,,0.5,,,1,19,Ala,C,1,20,Glu,HN,,16579,3
+19,2JCOHN,,1,1,19,19,GLU,C,C,13,1,,1,1,20,20,THR,H,H,1,1,3.79,,,0.5,,,1,20,Glu,C,1,21,Thr,HN,,16579,3
+20,2JCOHN,,1,1,20,20,THR,C,C,13,1,,1,1,21,21,ILE,H,H,1,1,4.04,,,0.5,,,1,21,Thr,C,1,22,Ile,HN,,16579,3
+21,2JCOHN,,1,1,21,21,ILE,C,C,13,1,,1,1,22,22,ALA,H,H,1,1,4.14,,,0.5,,,1,22,Ile,C,1,23,Ala,HN,,16579,3
+22,2JCOHN,,1,1,22,22,ALA,C,C,13,1,,1,1,23,23,ARG,H,H,1,1,4.22,,,0.5,,,1,23,Ala,C,1,24,Arg,HN,,16579,3
+23,2JCOHN,,1,1,23,23,ARG,C,C,13,1,,1,1,24,24,GLU,H,H,1,1,4.01,,,0.5,,,1,24,Arg,C,1,25,Glu,HN,,16579,3
+24,2JCOHN,,1,1,24,24,GLU,C,C,13,1,,1,1,25,25,LEU,H,H,1,1,4.22,,,0.5,,,1,25,Glu,C,1,26,Leu,HN,,16579,3
+25,2JCOHN,,1,1,25,25,LEU,C,C,13,1,,1,1,26,26,ALA,H,H,1,1,3.71,,,0.5,,,1,26,Leu,C,1,27,Ala,HN,,16579,3
+26,2JCOHN,,1,1,26,26,ALA,C,C,13,1,,1,1,27,27,ASP,H,H,1,1,4.22,,,0.5,,,1,27,Ala,C,1,28,Asp,HN,,16579,3
+27,2JCOHN,,1,1,27,27,ASP,C,C,13,1,,1,1,28,28,ALA,H,H,1,1,4.02,,,0.5,,,1,28,Asp,C,1,29,Ala,HN,,16579,3
+28,2JCOHN,,1,1,28,28,ALA,C,C,13,1,,1,1,29,29,GLY,H,H,1,1,4.5,,,0.5,,,1,29,Ala,C,1,30,Gly,HN,,16579,3
+29,2JCOHN,,1,1,29,29,GLY,C,C,13,1,,1,1,30,30,TYR,H,H,1,1,4.11,,,0.5,,,1,30,Gly,C,1,31,Tyr,HN,,16579,3
+30,2JCOHN,,1,1,30,30,TYR,C,C,13,1,,1,1,31,31,GLU,H,H,1,1,3.65,,,0.5,,,1,31,Tyr,C,1,32,Glu,HN,,16579,3
+31,2JCOHN,,1,1,31,31,GLU,C,C,13,1,,1,1,32,32,VAL,H,H,1,1,4.21,,,0.5,,,1,32,Glu,C,1,33,Val,HN,,16579,3
+32,2JCOHN,,1,1,32,32,VAL,C,C,13,1,,1,1,33,33,ASP,H,H,1,1,4.05,,,0.5,,,1,33,Val,C,1,34,Asp,HN,,16579,3
+33,2JCOHN,,1,1,33,33,ASP,C,C,13,1,,1,1,34,34,SER,H,H,1,1,3.91,,,0.5,,,1,34,Asp,C,1,35,Ser,HN,,16579,3
+34,2JCOHN,,1,1,34,34,SER,C,C,13,1,,1,1,35,35,ARG,H,H,1,1,3.93,,,0.5,,,1,35,Ser,C,1,36,Arg,HN,,16579,3
+35,2JCOHN,,1,1,35,35,ARG,C,C,13,1,,1,1,36,36,ASP,H,H,1,1,3.86,,,0.5,,,1,36,Arg,C,1,37,Asp,HN,,16579,3
+36,2JCOHN,,1,1,36,36,ASP,C,C,13,1,,1,1,37,37,ALA,H,H,1,1,3.59,,,0.5,,,1,37,Asp,C,1,38,Ala,HN,,16579,3
+37,2JCOHN,,1,1,37,37,ALA,C,C,13,1,,1,1,38,38,ALA,H,H,1,1,4.14,,,0.5,,,1,38,Ala,C,1,39,Ala,HN,,16579,3
+38,2JCOHN,,1,1,38,38,ALA,C,C,13,1,,1,1,39,39,SER,H,H,1,1,3.96,,,0.5,,,1,39,Ala,C,1,40,Ser,HN,,16579,3
+39,2JCOHN,,1,1,39,39,SER,C,C,13,1,,1,1,40,40,VAL,H,H,1,1,3.96,,,0.5,,,1,40,Ser,C,1,41,Val,HN,,16579,3
+40,2JCOHN,,1,1,40,40,VAL,C,C,13,1,,1,1,41,41,GLU,H,H,1,1,3.99,,,0.5,,,1,41,Val,C,1,42,Glu,HN,,16579,3
+41,2JCOHN,,1,1,41,41,GLU,C,C,13,1,,1,1,42,42,ALA,H,H,1,1,4.16,,,0.5,,,1,42,Glu,C,1,43,Ala,HN,,16579,3
+42,2JCOHN,,1,1,42,42,ALA,C,C,13,1,,1,1,43,43,GLY,H,H,1,1,4.88,,,0.5,,,1,43,Ala,C,1,44,Gly,HN,,16579,3
+43,2JCOHN,,1,1,43,43,GLY,C,C,13,1,,1,1,44,44,GLY,H,H,1,1,4.0,,,0.5,,,1,44,Gly,C,1,45,Gly,HN,,16579,3
+44,2JCOHN,,1,1,44,44,GLY,C,C,13,1,,1,1,45,45,LEU,H,H,1,1,3.6,,,0.5,,,1,45,Gly,C,1,46,Leu,HN,,16579,3
+45,2JCOHN,,1,1,45,45,LEU,C,C,13,1,,1,1,46,46,PHE,H,H,1,1,3.72,,,0.5,,,1,46,Leu,C,1,47,Phe,HN,,16579,3
+46,2JCOHN,,1,1,46,46,PHE,C,C,13,1,,1,1,47,47,GLU,H,H,1,1,3.9,,,0.5,,,1,47,Phe,C,1,48,Glu,HN,,16579,3
+47,2JCOHN,,1,1,47,47,GLU,C,C,13,1,,1,1,48,48,GLY,H,H,1,1,4.53,,,0.5,,,1,48,Glu,C,1,49,Gly,HN,,16579,3
+48,2JCOHN,,1,1,48,48,GLY,C,C,13,1,,1,1,49,49,PHE,H,H,1,1,4.13,,,0.5,,,1,49,Gly,C,1,50,Phe,HN,,16579,3
+49,2JCOHN,,1,1,49,49,PHE,C,C,13,1,,1,1,50,50,ASP,H,H,1,1,4.16,,,0.5,,,1,50,Phe,C,1,51,Asp,HN,,16579,3
+50,2JCOHN,,1,1,50,50,ASP,C,C,13,1,,1,1,51,51,LEU,H,H,1,1,4.15,,,0.5,,,1,51,Asp,C,1,52,Leu,HN,,16579,3
+51,2JCOHN,,1,1,51,51,LEU,C,C,13,1,,1,1,52,52,VAL,H,H,1,1,4.21,,,0.5,,,1,52,Leu,C,1,53,Val,HN,,16579,3
+52,2JCOHN,,1,1,52,52,VAL,C,C,13,1,,1,1,53,53,LEU,H,H,1,1,3.93,,,0.5,,,1,53,Val,C,1,54,Leu,HN,,16579,3
+53,2JCOHN,,1,1,53,53,LEU,C,C,13,1,,1,1,54,54,LEU,H,H,1,1,3.41,,,0.5,,,1,54,Leu,C,1,55,Leu,HN,,16579,3
+54,2JCOHN,,1,1,54,54,LEU,C,C,13,1,,1,1,55,55,GLY,H,H,1,1,4.04,,,0.5,,,1,55,Leu,C,1,56,Gly,HN,,16579,3
+55,2JCOHN,,1,1,55,55,GLY,C,C,13,1,,1,1,56,56,CYS,H,H,1,1,4.04,,,0.5,,,1,56,Gly,C,1,57,Cys,HN,,16579,3
+56,2JCOHN,,1,1,56,56,CYS,C,C,13,1,,1,1,57,57,SER,H,H,1,1,4.28,,,0.5,,,1,57,Cys,C,1,58,Ser,HN,,16579,3
+57,2JCOHN,,1,1,57,57,SER,C,C,13,1,,1,1,58,58,THR,H,H,1,1,4.43,,,0.5,,,1,58,Ser,C,1,59,Thr,HN,,16579,3
+58,2JCOHN,,1,1,58,58,THR,C,C,13,1,,1,1,59,59,TRP,H,H,1,1,4.45,,,0.5,,,1,59,Thr,C,1,60,Trp,HN,,16579,3
+59,2JCOHN,,1,1,59,59,TRP,C,C,13,1,,1,1,60,60,GLY,H,H,1,1,4.88,,,0.5,,,1,60,Trp,C,1,61,Gly,HN,,16579,3
+60,2JCOHN,,1,1,60,60,GLY,C,C,13,1,,1,1,61,61,ASP,H,H,1,1,4.1,,,0.5,,,1,61,Gly,C,1,62,Asp,HN,,16579,3
+61,2JCOHN,,1,1,61,61,ASP,C,C,13,1,,1,1,62,62,ASP,H,H,1,1,4.44,,,0.5,,,1,62,Asp,C,1,63,Asp,HN,,16579,3
+62,2JCOHN,,1,1,62,62,ASP,C,C,13,1,,1,1,63,63,SER,H,H,1,1,4.07,,,0.5,,,1,63,Asp,C,1,64,Ser,HN,,16579,3
+63,2JCOHN,,1,1,63,63,SER,C,C,13,1,,1,1,64,64,ILE,H,H,1,1,3.94,,,0.5,,,1,64,Ser,C,1,65,Ile,HN,,16579,3
+64,2JCOHN,,1,1,64,64,ILE,C,C,13,1,,1,1,65,65,GLU,H,H,1,1,4.12,,,0.5,,,1,65,Ile,C,1,66,Glu,HN,,16579,3
+65,2JCOHN,,1,1,65,65,GLU,C,C,13,1,,1,1,66,66,LEU,H,H,1,1,4.24,,,0.5,,,1,66,Glu,C,1,67,Leu,HN,,16579,3
+66,2JCOHN,,1,1,66,66,LEU,C,C,13,1,,1,1,67,67,GLN,H,H,1,1,4.04,,,0.5,,,1,67,Leu,C,1,68,Gln,HN,,16579,3
+67,2JCOHN,,1,1,68,68,ASP,C,C,13,1,,1,1,69,69,ASP,H,H,1,1,3.94,,,0.5,,,1,69,Asp,C,1,70,Asp,HN,,16579,3
+68,2JCOHN,,1,1,69,69,ASP,C,C,13,1,,1,1,70,70,PHE,H,H,1,1,4.55,,,0.5,,,1,70,Asp,C,1,71,Phe,HN,,16579,3
+69,2JCOHN,,1,1,70,70,PHE,C,C,13,1,,1,1,71,71,ILE,H,H,1,1,3.63,,,0.5,,,1,71,Phe,C,1,72,Ile,HN,,16579,3
+70,2JCOHN,,1,1,72,72,PRO,C,C,13,1,,1,1,73,73,LEU,H,H,1,1,3.9,,,0.5,,,1,73,Pro,C,1,74,Leu,HN,,16579,3
+71,2JCOHN,,1,1,73,73,LEU,C,C,13,1,,1,1,74,74,PHE,H,H,1,1,3.75,,,0.5,,,1,74,Leu,C,1,75,Phe,HN,,16579,3
+72,2JCOHN,,1,1,74,74,PHE,C,C,13,1,,1,1,75,75,ASP,H,H,1,1,3.38,,,0.5,,,1,75,Phe,C,1,76,Asp,HN,,16579,3
+73,2JCOHN,,1,1,75,75,ASP,C,C,13,1,,1,1,76,76,SER,H,H,1,1,3.96,,,0.5,,,1,76,Asp,C,1,77,Ser,HN,,16579,3
+74,2JCOHN,,1,1,76,76,SER,C,C,13,1,,1,1,77,77,LEU,H,H,1,1,3.26,,,0.5,,,1,77,Ser,C,1,78,Leu,HN,,16579,3
+75,2JCOHN,,1,1,77,77,LEU,C,C,13,1,,1,1,78,78,GLU,H,H,1,1,3.76,,,0.5,,,1,78,Leu,C,1,79,Glu,HN,,16579,3
+76,2JCOHN,,1,1,78,78,GLU,C,C,13,1,,1,1,79,79,GLU,H,H,1,1,4.11,,,0.5,,,1,79,Glu,C,1,80,Glu,HN,,16579,3
+77,2JCOHN,,1,1,79,79,GLU,C,C,13,1,,1,1,80,80,THR,H,H,1,1,3.93,,,0.5,,,1,80,Glu,C,1,81,Thr,HN,,16579,3
+78,2JCOHN,,1,1,80,80,THR,C,C,13,1,,1,1,81,81,GLY,H,H,1,1,4.6,,,0.5,,,1,81,Thr,C,1,82,Gly,HN,,16579,3
+79,2JCOHN,,1,1,81,81,GLY,C,C,13,1,,1,1,82,82,ALA,H,H,1,1,3.88,,,0.5,,,1,82,Gly,C,1,83,Ala,HN,,16579,3
+80,2JCOHN,,1,1,82,82,ALA,C,C,13,1,,1,1,83,83,GLN,H,H,1,1,4.43,,,0.5,,,1,83,Ala,C,1,84,Gln,HN,,16579,3
+81,2JCOHN,,1,1,83,83,GLN,C,C,13,1,,1,1,84,84,GLY,H,H,1,1,4.85,,,0.5,,,1,84,Gln,C,1,85,Gly,HN,,16579,3
+82,2JCOHN,,1,1,84,84,GLY,C,C,13,1,,1,1,85,85,ARG,H,H,1,1,3.67,,,0.5,,,1,85,Gly,C,1,86,Arg,HN,,16579,3
+83,2JCOHN,,1,1,85,85,ARG,C,C,13,1,,1,1,86,86,LYS,H,H,1,1,4.25,,,0.5,,,1,86,Arg,C,1,87,Lys,HN,,16579,3
+84,2JCOHN,,1,1,86,86,LYS,C,C,13,1,,1,1,87,87,VAL,H,H,1,1,4.01,,,0.5,,,1,87,Lys,C,1,88,Val,HN,,16579,3
+85,2JCOHN,,1,1,87,87,VAL,C,C,13,1,,1,1,88,88,ALA,H,H,1,1,4.07,,,0.5,,,1,88,Val,C,1,89,Ala,HN,,16579,3
+86,2JCOHN,,1,1,88,88,ALA,C,C,13,1,,1,1,89,89,CYS,H,H,1,1,3.8,,,0.5,,,1,89,Ala,C,1,90,Cys,HN,,16579,3
+87,2JCOHN,,1,1,89,89,CYS,C,C,13,1,,1,1,90,90,PHE,H,H,1,1,4.22,,,0.5,,,1,90,Cys,C,1,91,Phe,HN,,16579,3
+88,2JCOHN,,1,1,90,90,PHE,C,C,13,1,,1,1,91,91,GLY,H,H,1,1,3.97,,,0.5,,,1,91,Phe,C,1,92,Gly,HN,,16579,3
+89,2JCOHN,,1,1,91,91,GLY,C,C,13,1,,1,1,92,92,CYS,H,H,1,1,4.14,,,0.5,,,1,92,Gly,C,1,93,Cys,HN,,16579,3
+90,2JCOHN,,1,1,92,92,CYS,C,C,13,1,,1,1,93,93,GLY,H,H,1,1,4.07,,,0.5,,,1,93,Cys,C,1,94,Gly,HN,,16579,3
+91,2JCOHN,,1,1,93,93,GLY,C,C,13,1,,1,1,94,94,ASP,H,H,1,1,3.5,,,0.5,,,1,94,Gly,C,1,95,Asp,HN,,16579,3
+92,2JCOHN,,1,1,94,94,ASP,C,C,13,1,,1,1,95,95,SER,H,H,1,1,3.41,,,0.5,,,1,95,Asp,C,1,96,Ser,HN,,16579,3
+93,2JCOHN,,1,1,95,95,SER,C,C,13,1,,1,1,96,96,SER,H,H,1,1,3.98,,,0.5,,,1,96,Ser,C,1,97,Ser,HN,,16579,3
+94,2JCOHN,,1,1,97,97,TYR,C,C,13,1,,1,1,98,98,GLU,H,H,1,1,3.9,,,0.5,,,1,98,Tyr,C,1,99,Glu,HN,,16579,3
+95,2JCOHN,,1,1,98,98,GLU,C,C,13,1,,1,1,99,99,TYR,H,H,1,1,4.24,,,0.5,,,1,99,Glu,C,1,100,Tyr,HN,,16579,3
+96,2JCOHN,,1,1,99,99,TYR,C,C,13,1,,1,1,100,100,PHE,H,H,1,1,3.95,,,0.5,,,1,100,Tyr,C,1,101,Phe,HN,,16579,3
+97,2JCOHN,,1,1,100,100,PHE,C,C,13,1,,1,1,101,101,CYS,H,H,1,1,3.54,,,0.5,,,1,101,Phe,C,1,102,Cys,HN,,16579,3
+98,2JCOHN,,1,1,101,101,CYS,C,C,13,1,,1,1,102,102,GLY,H,H,1,1,3.84,,,0.5,,,1,102,Cys,C,1,103,Gly,HN,,16579,3
+99,2JCOHN,,1,1,103,103,ALA,C,C,13,1,,1,1,104,104,VAL,H,H,1,1,4.06,,,0.5,,,1,104,Ala,C,1,105,Val,HN,,16579,3
+100,2JCOHN,,1,1,104,104,VAL,C,C,13,1,,1,1,105,105,ASP,H,H,1,1,4.11,,,0.5,,,1,105,Val,C,1,106,Asp,HN,,16579,3
+101,2JCOHN,,1,1,106,106,ALA,C,C,13,1,,1,1,107,107,ILE,H,H,1,1,4.06,,,0.5,,,1,107,Ala,C,1,108,Ile,HN,,16579,3
+102,2JCOHN,,1,1,107,107,ILE,C,C,13,1,,1,1,108,108,GLU,H,H,1,1,4.48,,,0.5,,,1,108,Ile,C,1,109,Glu,HN,,16579,3
+103,2JCOHN,,1,1,108,108,GLU,C,C,13,1,,1,1,109,109,GLU,H,H,1,1,4.37,,,0.5,,,1,109,Glu,C,1,110,Glu,HN,,16579,3
+104,2JCOHN,,1,1,109,109,GLU,C,C,13,1,,1,1,110,110,LYS,H,H,1,1,4.18,,,0.5,,,1,110,Glu,C,1,111,Lys,HN,,16579,3
+105,2JCOHN,,1,1,110,110,LYS,C,C,13,1,,1,1,111,111,LEU,H,H,1,1,3.95,,,0.5,,,1,111,Lys,C,1,112,Leu,HN,,16579,3
+106,2JCOHN,,1,1,111,111,LEU,C,C,13,1,,1,1,112,112,LYS,H,H,1,1,4.14,,,0.5,,,1,112,Leu,C,1,113,Lys,HN,,16579,3
+107,2JCOHN,,1,1,112,112,LYS,C,C,13,1,,1,1,113,113,ASN,H,H,1,1,3.86,,,0.5,,,1,113,Lys,C,1,114,Asn,HN,,16579,3
+108,2JCOHN,,1,1,113,113,ASN,C,C,13,1,,1,1,114,114,LEU,H,H,1,1,3.72,,,0.5,,,1,114,Asn,C,1,115,Leu,HN,,16579,3
+109,2JCOHN,,1,1,114,114,LEU,C,C,13,1,,1,1,115,115,GLY,H,H,1,1,4.53,,,0.5,,,1,115,Leu,C,1,116,Gly,HN,,16579,3
+110,2JCOHN,,1,1,115,115,GLY,C,C,13,1,,1,1,116,116,ALA,H,H,1,1,3.86,,,0.5,,,1,116,Gly,C,1,117,Ala,HN,,16579,3
+111,2JCOHN,,1,1,117,117,GLU,C,C,13,1,,1,1,118,118,ILE,H,H,1,1,4.46,,,0.5,,,1,118,Glu,C,1,119,Ile,HN,,16579,3
+112,2JCOHN,,1,1,118,118,ILE,C,C,13,1,,1,1,119,119,VAL,H,H,1,1,2.83,,,0.5,,,1,119,Ile,C,1,120,Val,HN,,16579,3
+113,2JCOHN,,1,1,119,119,VAL,C,C,13,1,,1,1,120,120,GLN,H,H,1,1,4.25,,,0.5,,,1,120,Val,C,1,121,Gln,HN,,16579,3
+114,2JCOHN,,1,1,121,121,ASP,C,C,13,1,,1,1,122,122,GLY,H,H,1,1,4.56,,,0.5,,,1,122,Asp,C,1,123,Gly,HN,,16579,3
+115,2JCOHN,,1,1,122,122,GLY,C,C,13,1,,1,1,123,123,LEU,H,H,1,1,3.7,,,0.5,,,1,123,Gly,C,1,124,Leu,HN,,16579,3
+116,2JCOHN,,1,1,123,123,LEU,C,C,13,1,,1,1,124,124,ARG,H,H,1,1,4.19,,,0.5,,,1,124,Leu,C,1,125,Arg,HN,,16579,3
+117,2JCOHN,,1,1,124,124,ARG,C,C,13,1,,1,1,125,125,ILE,H,H,1,1,4.18,,,0.5,,,1,125,Arg,C,1,126,Ile,HN,,16579,3
+118,2JCOHN,,1,1,125,125,ILE,C,C,13,1,,1,1,126,126,ASP,H,H,1,1,4.31,,,0.5,,,1,126,Ile,C,1,127,Asp,HN,,16579,3
+119,2JCOHN,,1,1,126,126,ASP,C,C,13,1,,1,1,127,127,GLY,H,H,1,1,4.22,,,0.5,,,1,127,Asp,C,1,128,Gly,HN,,16579,3
+120,2JCOHN,,1,1,129,129,PRO,C,C,13,1,,1,1,130,130,ARG,H,H,1,1,3.93,,,0.5,,,1,130,Pro,C,1,131,Arg,HN,,16579,3
+121,2JCOHN,,1,1,130,130,ARG,C,C,13,1,,1,1,131,131,ALA,H,H,1,1,4.15,,,0.5,,,1,131,Arg,C,1,132,Ala,HN,,16579,3
+122,2JCOHN,,1,1,131,131,ALA,C,C,13,1,,1,1,132,132,ALA,H,H,1,1,4.58,,,0.5,,,1,132,Ala,C,1,133,Ala,HN,,16579,3
+123,2JCOHN,,1,1,132,132,ALA,C,C,13,1,,1,1,133,133,ARG,H,H,1,1,3.58,,,0.5,,,1,133,Ala,C,1,134,Arg,HN,,16579,3
+124,2JCOHN,,1,1,133,133,ARG,C,C,13,1,,1,1,134,134,ASP,H,H,1,1,4.38,,,0.5,,,1,134,Arg,C,1,135,Asp,HN,,16579,3
+125,2JCOHN,,1,1,134,134,ASP,C,C,13,1,,1,1,135,135,ASP,H,H,1,1,3.91,,,0.5,,,1,135,Asp,C,1,136,Asp,HN,,16579,3
+126,2JCOHN,,1,1,135,135,ASP,C,C,13,1,,1,1,136,136,ILE,H,H,1,1,3.35,,,0.5,,,1,136,Asp,C,1,137,Ile,HN,,16579,3
+127,2JCOHN,,1,1,136,136,ILE,C,C,13,1,,1,1,137,137,VAL,H,H,1,1,4.05,,,0.5,,,1,137,Ile,C,1,138,Val,HN,,16579,3
+128,2JCOHN,,1,1,137,137,VAL,C,C,13,1,,1,1,138,138,GLY,H,H,1,1,4.95,,,0.5,,,1,138,Val,C,1,139,Gly,HN,,16579,3
+129,2JCOHN,,1,1,138,138,GLY,C,C,13,1,,1,1,139,139,TRP,H,H,1,1,4.15,,,0.5,,,1,139,Gly,C,1,140,Trp,HN,,16579,3
+130,2JCOHN,,1,1,139,139,TRP,C,C,13,1,,1,1,140,140,ALA,H,H,1,1,4.06,,,0.5,,,1,140,Trp,C,1,141,Ala,HN,,16579,3
+131,2JCOHN,,1,1,140,140,ALA,C,C,13,1,,1,1,141,141,HIS,H,H,1,1,4.14,,,0.5,,,1,141,Ala,C,1,142,His,HN,,16579,3
+132,2JCOHN,,1,1,141,141,HIS,C,C,13,1,,1,1,142,142,ASP,H,H,1,1,4.0,,,0.5,,,1,142,His,C,1,143,Asp,HN,,16579,3
+133,2JCOHN,,1,1,142,142,ASP,C,C,13,1,,1,1,143,143,VAL,H,H,1,1,3.71,,,0.5,,,1,143,Asp,C,1,144,Val,HN,,16579,3
+134,2JCOHN,,1,1,143,143,VAL,C,C,13,1,,1,1,144,144,ARG,H,H,1,1,3.77,,,0.5,,,1,144,Val,C,1,145,Arg,HN,,16579,3
+135,2JCOHN,,1,1,144,144,ARG,C,C,13,1,,1,1,145,145,GLY,H,H,1,1,4.64,,,0.5,,,1,145,Arg,C,1,146,Gly,HN,,16579,3
+136,2JCOHN,,1,1,145,145,GLY,C,C,13,1,,1,1,146,146,ALA,H,H,1,1,4.03,,,0.5,,,1,146,Gly,C,1,147,Ala,HN,,16579,3
+137,2JCOHN,,1,1,146,146,ALA,C,C,13,1,,1,1,147,147,ILE,H,H,1,1,3.74,,,0.5,,,1,147,Ala,C,1,148,Ile,HN,,16579,3

2J_coupling_fullset/experiments/16579_2JCaN__loop0.csv

@@ -0,0 +1,145 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JCAN_,,1,1,1,1,PRO,CA,C,13,1,,1,1,2,2,LYS,N,N,15,1,-9.04,,,0.5,,,1,2,Pro,Ca,1,3,Lys,N,,16579,1
+2,2JCAN_,,1,1,2,2,LYS,CA,C,13,1,,1,1,3,3,ALA,N,N,15,1,-8.44,,,0.5,,,1,3,Lys,Ca,1,4,Ala,N,,16579,1
+3,2JCAN_,,1,1,3,3,ALA,CA,C,13,1,,1,1,4,4,LEU,N,N,15,1,-9.41,,,0.5,,,1,4,Ala,Ca,1,5,Leu,N,,16579,1
+4,2JCAN_,,1,1,4,4,LEU,CA,C,13,1,,1,1,5,5,ILE,N,N,15,1,-8.22,,,0.5,,,1,5,Leu,Ca,1,6,Ile,N,,16579,1
+5,2JCAN_,,1,1,5,5,ILE,CA,C,13,1,,1,1,6,6,VAL,N,N,15,1,-8.08,,,0.5,,,1,6,Ile,Ca,1,7,Val,N,,16579,1
+6,2JCAN_,,1,1,6,6,VAL,CA,C,13,1,,1,1,7,7,TYR,N,N,15,1,-8.25,,,0.5,,,1,7,Val,Ca,1,8,Tyr,N,,16579,1
+7,2JCAN_,,1,1,7,7,TYR,CA,C,13,1,,1,1,8,8,GLY,N,N,15,1,-9.3,,,0.5,,,1,8,Tyr,Ca,1,9,Gly,N,,16579,1
+8,2JCAN_,,1,1,8,8,GLY,CA,C,13,1,,1,1,9,9,SER,N,N,15,1,-9.67,,,0.5,,,1,9,Gly,Ca,1,10,Ser,N,,16579,1
+9,2JCAN_,,1,1,9,9,SER,CA,C,13,1,,1,1,10,10,THR,N,N,15,1,-8.46,,,0.5,,,1,10,Ser,Ca,1,11,Thr,N,,16579,1
+10,2JCAN_,,1,1,10,10,THR,CA,C,13,1,,1,1,11,11,THR,N,N,15,1,-5.9,,,0.5,,,1,11,Thr,Ca,1,12,Thr,N,,16579,1
+11,2JCAN_,,1,1,11,11,THR,CA,C,13,1,,1,1,12,12,GLY,N,N,15,1,-5.77,,,0.5,,,1,12,Thr,Ca,1,13,Gly,N,,16579,1
+12,2JCAN_,,1,1,12,12,GLY,CA,C,13,1,,1,1,13,13,ASN,N,N,15,1,-5.62,,,0.5,,,1,13,Gly,Ca,1,14,Asn,N,,16579,1
+13,2JCAN_,,1,1,13,13,ASN,CA,C,13,1,,1,1,14,14,THR,N,N,15,1,-6.29,,,0.5,,,1,14,Asn,Ca,1,15,Thr,N,,16579,1
+14,2JCAN_,,1,1,14,14,THR,CA,C,13,1,,1,1,15,15,GLU,N,N,15,1,-5.1,,,0.5,,,1,15,Thr,Ca,1,16,Glu,N,,16579,1
+15,2JCAN_,,1,1,15,15,GLU,CA,C,13,1,,1,1,16,16,TYR,N,N,15,1,-6.39,,,0.5,,,1,16,Glu,Ca,1,17,Tyr,N,,16579,1
+16,2JCAN_,,1,1,16,16,TYR,CA,C,13,1,,1,1,17,17,THR,N,N,15,1,-5.78,,,0.5,,,1,17,Tyr,Ca,1,18,Thr,N,,16579,1
+17,2JCAN_,,1,1,17,17,THR,CA,C,13,1,,1,1,18,18,ALA,N,N,15,1,-4.81,,,0.5,,,1,18,Thr,Ca,1,19,Ala,N,,16579,1
+18,2JCAN_,,1,1,18,18,ALA,CA,C,13,1,,1,1,19,19,GLU,N,N,15,1,-6.42,,,0.5,,,1,19,Ala,Ca,1,20,Glu,N,,16579,1
+19,2JCAN_,,1,1,19,19,GLU,CA,C,13,1,,1,1,20,20,THR,N,N,15,1,-6.29,,,0.5,,,1,20,Glu,Ca,1,21,Thr,N,,16579,1
+20,2JCAN_,,1,1,20,20,THR,CA,C,13,1,,1,1,21,21,ILE,N,N,15,1,-5.51,,,0.5,,,1,21,Thr,Ca,1,22,Ile,N,,16579,1
+21,2JCAN_,,1,1,21,21,ILE,CA,C,13,1,,1,1,22,22,ALA,N,N,15,1,-6.02,,,0.5,,,1,22,Ile,Ca,1,23,Ala,N,,16579,1
+22,2JCAN_,,1,1,22,22,ALA,CA,C,13,1,,1,1,23,23,ARG,N,N,15,1,-6.42,,,0.5,,,1,23,Ala,Ca,1,24,Arg,N,,16579,1
+23,2JCAN_,,1,1,23,23,ARG,CA,C,13,1,,1,1,24,24,GLU,N,N,15,1,-6.08,,,0.5,,,1,24,Arg,Ca,1,25,Glu,N,,16579,1
+24,2JCAN_,,1,1,24,24,GLU,CA,C,13,1,,1,1,25,25,LEU,N,N,15,1,-5.79,,,0.5,,,1,25,Glu,Ca,1,26,Leu,N,,16579,1
+25,2JCAN_,,1,1,25,25,LEU,CA,C,13,1,,1,1,26,26,ALA,N,N,15,1,-5.98,,,0.5,,,1,26,Leu,Ca,1,27,Ala,N,,16579,1
+26,2JCAN_,,1,1,26,26,ALA,CA,C,13,1,,1,1,27,27,ASP,N,N,15,1,-5.78,,,0.5,,,1,27,Ala,Ca,1,28,Asp,N,,16579,1
+27,2JCAN_,,1,1,27,27,ASP,CA,C,13,1,,1,1,28,28,ALA,N,N,15,1,-5.96,,,0.5,,,1,28,Asp,Ca,1,29,Ala,N,,16579,1
+28,2JCAN_,,1,1,28,28,ALA,CA,C,13,1,,1,1,29,29,GLY,N,N,15,1,-6.46,,,0.5,,,1,29,Ala,Ca,1,30,Gly,N,,16579,1
+29,2JCAN_,,1,1,29,29,GLY,CA,C,13,1,,1,1,30,30,TYR,N,N,15,1,-5.84,,,0.5,,,1,30,Gly,Ca,1,31,Tyr,N,,16579,1
+30,2JCAN_,,1,1,30,30,TYR,CA,C,13,1,,1,1,31,31,GLU,N,N,15,1,-8.58,,,0.5,,,1,31,Tyr,Ca,1,32,Glu,N,,16579,1
+31,2JCAN_,,1,1,31,31,GLU,CA,C,13,1,,1,1,32,32,VAL,N,N,15,1,-8.22,,,0.5,,,1,32,Glu,Ca,1,33,Val,N,,16579,1
+32,2JCAN_,,1,1,32,32,VAL,CA,C,13,1,,1,1,33,33,ASP,N,N,15,1,-8.29,,,0.5,,,1,33,Val,Ca,1,34,Asp,N,,16579,1
+33,2JCAN_,,1,1,33,33,ASP,CA,C,13,1,,1,1,34,34,SER,N,N,15,1,-8.72,,,0.5,,,1,34,Asp,Ca,1,35,Ser,N,,16579,1
+34,2JCAN_,,1,1,34,34,SER,CA,C,13,1,,1,1,35,35,ARG,N,N,15,1,-8.23,,,0.5,,,1,35,Ser,Ca,1,36,Arg,N,,16579,1
+35,2JCAN_,,1,1,35,35,ARG,CA,C,13,1,,1,1,36,36,ASP,N,N,15,1,-9.16,,,0.5,,,1,36,Arg,Ca,1,37,Asp,N,,16579,1
+36,2JCAN_,,1,1,36,36,ASP,CA,C,13,1,,1,1,37,37,ALA,N,N,15,1,-7.92,,,0.5,,,1,37,Asp,Ca,1,38,Ala,N,,16579,1
+37,2JCAN_,,1,1,37,37,ALA,CA,C,13,1,,1,1,38,38,ALA,N,N,15,1,-6.17,,,0.5,,,1,38,Ala,Ca,1,39,Ala,N,,16579,1
+38,2JCAN_,,1,1,38,38,ALA,CA,C,13,1,,1,1,39,39,SER,N,N,15,1,-6.27,,,0.5,,,1,39,Ala,Ca,1,40,Ser,N,,16579,1
+39,2JCAN_,,1,1,39,39,SER,CA,C,13,1,,1,1,40,40,VAL,N,N,15,1,-5.56,,,0.5,,,1,40,Ser,Ca,1,41,Val,N,,16579,1
+40,2JCAN_,,1,1,40,40,VAL,CA,C,13,1,,1,1,41,41,GLU,N,N,15,1,-8.68,,,0.5,,,1,41,Val,Ca,1,42,Glu,N,,16579,1
+41,2JCAN_,,1,1,41,41,GLU,CA,C,13,1,,1,1,42,42,ALA,N,N,15,1,-8.31,,,0.5,,,1,42,Glu,Ca,1,43,Ala,N,,16579,1
+42,2JCAN_,,1,1,42,42,ALA,CA,C,13,1,,1,1,43,43,GLY,N,N,15,1,-6.83,,,0.5,,,1,43,Ala,Ca,1,44,Gly,N,,16579,1
+43,2JCAN_,,1,1,43,43,GLY,CA,C,13,1,,1,1,44,44,GLY,N,N,15,1,-9.12,,,0.5,,,1,44,Gly,Ca,1,45,Gly,N,,16579,1
+44,2JCAN_,,1,1,44,44,GLY,CA,C,13,1,,1,1,45,45,LEU,N,N,15,1,-6.06,,,0.5,,,1,45,Gly,Ca,1,46,Leu,N,,16579,1
+45,2JCAN_,,1,1,45,45,LEU,CA,C,13,1,,1,1,46,46,PHE,N,N,15,1,-6.13,,,0.5,,,1,46,Leu,Ca,1,47,Phe,N,,16579,1
+46,2JCAN_,,1,1,46,46,PHE,CA,C,13,1,,1,1,47,47,GLU,N,N,15,1,-6.28,,,0.5,,,1,47,Phe,Ca,1,48,Glu,N,,16579,1
+47,2JCAN_,,1,1,47,47,GLU,CA,C,13,1,,1,1,48,48,GLY,N,N,15,1,-9.1,,,0.5,,,1,48,Glu,Ca,1,49,Gly,N,,16579,1
+48,2JCAN_,,1,1,48,48,GLY,CA,C,13,1,,1,1,49,49,PHE,N,N,15,1,-6.1,,,0.5,,,1,49,Gly,Ca,1,50,Phe,N,,16579,1
+49,2JCAN_,,1,1,49,49,PHE,CA,C,13,1,,1,1,50,50,ASP,N,N,15,1,-8.43,,,0.5,,,1,50,Phe,Ca,1,51,Asp,N,,16579,1
+50,2JCAN_,,1,1,50,50,ASP,CA,C,13,1,,1,1,51,51,LEU,N,N,15,1,-6.48,,,0.5,,,1,51,Asp,Ca,1,52,Leu,N,,16579,1
+51,2JCAN_,,1,1,51,51,LEU,CA,C,13,1,,1,1,52,52,VAL,N,N,15,1,-8.25,,,0.5,,,1,52,Leu,Ca,1,53,Val,N,,16579,1
+52,2JCAN_,,1,1,52,52,VAL,CA,C,13,1,,1,1,53,53,LEU,N,N,15,1,-8.35,,,0.5,,,1,53,Val,Ca,1,54,Leu,N,,16579,1
+53,2JCAN_,,1,1,53,53,LEU,CA,C,13,1,,1,1,54,54,LEU,N,N,15,1,-9.05,,,0.5,,,1,54,Leu,Ca,1,55,Leu,N,,16579,1
+54,2JCAN_,,1,1,54,54,LEU,CA,C,13,1,,1,1,55,55,GLY,N,N,15,1,-9.2,,,0.5,,,1,55,Leu,Ca,1,56,Gly,N,,16579,1
+55,2JCAN_,,1,1,55,55,GLY,CA,C,13,1,,1,1,56,56,CYS,N,N,15,1,-8.91,,,0.5,,,1,56,Gly,Ca,1,57,Cys,N,,16579,1
+56,2JCAN_,,1,1,56,56,CYS,CA,C,13,1,,1,1,57,57,SER,N,N,15,1,-8.33,,,0.5,,,1,57,Cys,Ca,1,58,Ser,N,,16579,1
+57,2JCAN_,,1,1,57,57,SER,CA,C,13,1,,1,1,58,58,THR,N,N,15,1,-9.44,,,0.5,,,1,58,Ser,Ca,1,59,Thr,N,,16579,1
+58,2JCAN_,,1,1,58,58,THR,CA,C,13,1,,1,1,59,59,TRP,N,N,15,1,-8.63,,,0.5,,,1,59,Thr,Ca,1,60,Trp,N,,16579,1
+59,2JCAN_,,1,1,59,59,TRP,CA,C,13,1,,1,1,60,60,GLY,N,N,15,1,-8.8,,,0.5,,,1,60,Trp,Ca,1,61,Gly,N,,16579,1
+60,2JCAN_,,1,1,60,60,GLY,CA,C,13,1,,1,1,61,61,ASP,N,N,15,1,-8.75,,,0.5,,,1,61,Gly,Ca,1,62,Asp,N,,16579,1
+61,2JCAN_,,1,1,61,61,ASP,CA,C,13,1,,1,1,62,62,ASP,N,N,15,1,-6.9,,,0.5,,,1,62,Asp,Ca,1,63,Asp,N,,16579,1
+62,2JCAN_,,1,1,62,62,ASP,CA,C,13,1,,1,1,63,63,SER,N,N,15,1,-6.36,,,0.5,,,1,63,Asp,Ca,1,64,Ser,N,,16579,1
+63,2JCAN_,,1,1,63,63,SER,CA,C,13,1,,1,1,64,64,ILE,N,N,15,1,-8.15,,,0.5,,,1,64,Ser,Ca,1,65,Ile,N,,16579,1
+64,2JCAN_,,1,1,64,64,ILE,CA,C,13,1,,1,1,65,65,GLU,N,N,15,1,-8.02,,,0.5,,,1,65,Ile,Ca,1,66,Glu,N,,16579,1
+65,2JCAN_,,1,1,65,65,GLU,CA,C,13,1,,1,1,66,66,LEU,N,N,15,1,-8.03,,,0.5,,,1,66,Glu,Ca,1,67,Leu,N,,16579,1
+66,2JCAN_,,1,1,66,66,LEU,CA,C,13,1,,1,1,67,67,GLN,N,N,15,1,-9.09,,,0.5,,,1,67,Leu,Ca,1,68,Gln,N,,16579,1
+67,2JCAN_,,1,1,67,67,GLN,CA,C,13,1,,1,1,68,68,ASP,N,N,15,1,-8.74,,,0.5,,,1,68,Gln,Ca,1,69,Asp,N,,16579,1
+68,2JCAN_,,1,1,68,68,ASP,CA,C,13,1,,1,1,69,69,ASP,N,N,15,1,-6.14,,,0.5,,,1,69,Asp,Ca,1,70,Asp,N,,16579,1
+69,2JCAN_,,1,1,69,69,ASP,CA,C,13,1,,1,1,70,70,PHE,N,N,15,1,-6.31,,,0.5,,,1,70,Asp,Ca,1,71,Phe,N,,16579,1
+70,2JCAN_,,1,1,70,70,PHE,CA,C,13,1,,1,1,71,71,ILE,N,N,15,1,-6.09,,,0.5,,,1,71,Phe,Ca,1,72,Ile,N,,16579,1
+71,2JCAN_,,1,1,72,72,PRO,CA,C,13,1,,1,1,73,73,LEU,N,N,15,1,-5.99,,,0.5,,,1,73,Pro,Ca,1,74,Leu,N,,16579,1
+72,2JCAN_,,1,1,73,73,LEU,CA,C,13,1,,1,1,74,74,PHE,N,N,15,1,-6.66,,,0.5,,,1,74,Leu,Ca,1,75,Phe,N,,16579,1
+73,2JCAN_,,1,1,74,74,PHE,CA,C,13,1,,1,1,75,75,ASP,N,N,15,1,-5.76,,,0.5,,,1,75,Phe,Ca,1,76,Asp,N,,16579,1
+74,2JCAN_,,1,1,75,75,ASP,CA,C,13,1,,1,1,76,76,SER,N,N,15,1,-6.28,,,0.5,,,1,76,Asp,Ca,1,77,Ser,N,,16579,1
+75,2JCAN_,,1,1,76,76,SER,CA,C,13,1,,1,1,77,77,LEU,N,N,15,1,-5.25,,,0.5,,,1,77,Ser,Ca,1,78,Leu,N,,16579,1
+76,2JCAN_,,1,1,77,77,LEU,CA,C,13,1,,1,1,78,78,GLU,N,N,15,1,-5.33,,,0.5,,,1,78,Leu,Ca,1,79,Glu,N,,16579,1
+77,2JCAN_,,1,1,78,78,GLU,CA,C,13,1,,1,1,79,79,GLU,N,N,15,1,-5.79,,,0.5,,,1,79,Glu,Ca,1,80,Glu,N,,16579,1
+78,2JCAN_,,1,1,79,79,GLU,CA,C,13,1,,1,1,80,80,THR,N,N,15,1,-5.86,,,0.5,,,1,80,Glu,Ca,1,81,Thr,N,,16579,1
+79,2JCAN_,,1,1,80,80,THR,CA,C,13,1,,1,1,81,81,GLY,N,N,15,1,-5.97,,,0.5,,,1,81,Thr,Ca,1,82,Gly,N,,16579,1
+80,2JCAN_,,1,1,81,81,GLY,CA,C,13,1,,1,1,82,82,ALA,N,N,15,1,-6.42,,,0.5,,,1,82,Gly,Ca,1,83,Ala,N,,16579,1
+81,2JCAN_,,1,1,82,82,ALA,CA,C,13,1,,1,1,83,83,GLN,N,N,15,1,-6.72,,,0.5,,,1,83,Ala,Ca,1,84,Gln,N,,16579,1
+82,2JCAN_,,1,1,83,83,GLN,CA,C,13,1,,1,1,84,84,GLY,N,N,15,1,-8.86,,,0.5,,,1,84,Gln,Ca,1,85,Gly,N,,16579,1
+83,2JCAN_,,1,1,84,84,GLY,CA,C,13,1,,1,1,85,85,ARG,N,N,15,1,-6.28,,,0.5,,,1,85,Gly,Ca,1,86,Arg,N,,16579,1
+84,2JCAN_,,1,1,85,85,ARG,CA,C,13,1,,1,1,86,86,LYS,N,N,15,1,-8.56,,,0.5,,,1,86,Arg,Ca,1,87,Lys,N,,16579,1
+85,2JCAN_,,1,1,86,86,LYS,CA,C,13,1,,1,1,87,87,VAL,N,N,15,1,-9.23,,,0.5,,,1,87,Lys,Ca,1,88,Val,N,,16579,1
+86,2JCAN_,,1,1,87,87,VAL,CA,C,13,1,,1,1,88,88,ALA,N,N,15,1,-8.3,,,0.5,,,1,88,Val,Ca,1,89,Ala,N,,16579,1
+87,2JCAN_,,1,1,88,88,ALA,CA,C,13,1,,1,1,89,89,CYS,N,N,15,1,-8.78,,,0.5,,,1,89,Ala,Ca,1,90,Cys,N,,16579,1
+88,2JCAN_,,1,1,89,89,CYS,CA,C,13,1,,1,1,90,90,PHE,N,N,15,1,-9.36,,,0.5,,,1,90,Cys,Ca,1,91,Phe,N,,16579,1
+89,2JCAN_,,1,1,90,90,PHE,CA,C,13,1,,1,1,91,91,GLY,N,N,15,1,-8.73,,,0.5,,,1,91,Phe,Ca,1,92,Gly,N,,16579,1
+90,2JCAN_,,1,1,91,91,GLY,CA,C,13,1,,1,1,92,92,CYS,N,N,15,1,-10.09,,,0.5,,,1,92,Gly,Ca,1,93,Cys,N,,16579,1
+91,2JCAN_,,1,1,92,92,CYS,CA,C,13,1,,1,1,93,93,GLY,N,N,15,1,-9.72,,,0.5,,,1,93,Cys,Ca,1,94,Gly,N,,16579,1
+92,2JCAN_,,1,1,93,93,GLY,CA,C,13,1,,1,1,94,94,ASP,N,N,15,1,-8.51,,,0.5,,,1,94,Gly,Ca,1,95,Asp,N,,16579,1
+93,2JCAN_,,1,1,94,94,ASP,CA,C,13,1,,1,1,95,95,SER,N,N,15,1,-8.65,,,0.5,,,1,95,Asp,Ca,1,96,Ser,N,,16579,1
+94,2JCAN_,,1,1,95,95,SER,CA,C,13,1,,1,1,96,96,SER,N,N,15,1,-5.03,,,0.5,,,1,96,Ser,Ca,1,97,Ser,N,,16579,1
+95,2JCAN_,,1,1,96,96,SER,CA,C,13,1,,1,1,97,97,TYR,N,N,15,1,-5.19,,,0.5,,,1,97,Ser,Ca,1,98,Tyr,N,,16579,1
+96,2JCAN_,,1,1,97,97,TYR,CA,C,13,1,,1,1,98,98,GLU,N,N,15,1,-9.1,,,0.5,,,1,98,Tyr,Ca,1,99,Glu,N,,16579,1
+97,2JCAN_,,1,1,98,98,GLU,CA,C,13,1,,1,1,99,99,TYR,N,N,15,1,-6.49,,,0.5,,,1,99,Glu,Ca,1,100,Tyr,N,,16579,1
+98,2JCAN_,,1,1,99,99,TYR,CA,C,13,1,,1,1,100,100,PHE,N,N,15,1,-6.73,,,0.5,,,1,100,Tyr,Ca,1,101,Phe,N,,16579,1
+99,2JCAN_,,1,1,100,100,PHE,CA,C,13,1,,1,1,101,101,CYS,N,N,15,1,-7.68,,,0.5,,,1,101,Phe,Ca,1,102,Cys,N,,16579,1
+100,2JCAN_,,1,1,101,101,CYS,CA,C,13,1,,1,1,102,102,GLY,N,N,15,1,-6.39,,,0.5,,,1,102,Cys,Ca,1,103,Gly,N,,16579,1
+101,2JCAN_,,1,1,102,102,GLY,CA,C,13,1,,1,1,103,103,ALA,N,N,15,1,-6.06,,,0.5,,,1,103,Gly,Ca,1,104,Ala,N,,16579,1
+102,2JCAN_,,1,1,103,103,ALA,CA,C,13,1,,1,1,104,104,VAL,N,N,15,1,-6.78,,,0.5,,,1,104,Ala,Ca,1,105,Val,N,,16579,1
+103,2JCAN_,,1,1,104,104,VAL,CA,C,13,1,,1,1,105,105,ASP,N,N,15,1,-5.9,,,0.5,,,1,105,Val,Ca,1,106,Asp,N,,16579,1
+104,2JCAN_,,1,1,105,105,ASP,CA,C,13,1,,1,1,106,106,ALA,N,N,15,1,-5.82,,,0.5,,,1,106,Asp,Ca,1,107,Ala,N,,16579,1
+105,2JCAN_,,1,1,106,106,ALA,CA,C,13,1,,1,1,107,107,ILE,N,N,15,1,-6.19,,,0.5,,,1,107,Ala,Ca,1,108,Ile,N,,16579,1
+106,2JCAN_,,1,1,107,107,ILE,CA,C,13,1,,1,1,108,108,GLU,N,N,15,1,-5.83,,,0.5,,,1,108,Ile,Ca,1,109,Glu,N,,16579,1
+107,2JCAN_,,1,1,108,108,GLU,CA,C,13,1,,1,1,109,109,GLU,N,N,15,1,-6.59,,,0.5,,,1,109,Glu,Ca,1,110,Glu,N,,16579,1
+108,2JCAN_,,1,1,109,109,GLU,CA,C,13,1,,1,1,110,110,LYS,N,N,15,1,-6.22,,,0.5,,,1,110,Glu,Ca,1,111,Lys,N,,16579,1
+109,2JCAN_,,1,1,110,110,LYS,CA,C,13,1,,1,1,111,111,LEU,N,N,15,1,-6.12,,,0.5,,,1,111,Lys,Ca,1,112,Leu,N,,16579,1
+110,2JCAN_,,1,1,111,111,LEU,CA,C,13,1,,1,1,112,112,LYS,N,N,15,1,-6.07,,,0.5,,,1,112,Leu,Ca,1,113,Lys,N,,16579,1
+111,2JCAN_,,1,1,112,112,LYS,CA,C,13,1,,1,1,113,113,ASN,N,N,15,1,-5.7,,,0.5,,,1,113,Lys,Ca,1,114,Asn,N,,16579,1
+112,2JCAN_,,1,1,113,113,ASN,CA,C,13,1,,1,1,114,114,LEU,N,N,15,1,-6.0,,,0.5,,,1,114,Asn,Ca,1,115,Leu,N,,16579,1
+113,2JCAN_,,1,1,114,114,LEU,CA,C,13,1,,1,1,115,115,GLY,N,N,15,1,-6.35,,,0.5,,,1,115,Leu,Ca,1,116,Gly,N,,16579,1
+114,2JCAN_,,1,1,115,115,GLY,CA,C,13,1,,1,1,116,116,ALA,N,N,15,1,-5.69,,,0.5,,,1,116,Gly,Ca,1,117,Ala,N,,16579,1
+115,2JCAN_,,1,1,116,116,ALA,CA,C,13,1,,1,1,117,117,GLU,N,N,15,1,-8.86,,,0.5,,,1,117,Ala,Ca,1,118,Glu,N,,16579,1
+116,2JCAN_,,1,1,117,117,GLU,CA,C,13,1,,1,1,118,118,ILE,N,N,15,1,-8.33,,,0.5,,,1,118,Glu,Ca,1,119,Ile,N,,16579,1
+117,2JCAN_,,1,1,118,118,ILE,CA,C,13,1,,1,1,119,119,VAL,N,N,15,1,-7.49,,,0.5,,,1,119,Ile,Ca,1,120,Val,N,,16579,1
+118,2JCAN_,,1,1,119,119,VAL,CA,C,13,1,,1,1,120,120,GLN,N,N,15,1,-5.68,,,0.5,,,1,120,Val,Ca,1,121,Gln,N,,16579,1
+119,2JCAN_,,1,1,120,120,GLN,CA,C,13,1,,1,1,121,121,ASP,N,N,15,1,-8.27,,,0.5,,,1,121,Gln,Ca,1,122,Asp,N,,16579,1
+120,2JCAN_,,1,1,121,121,ASP,CA,C,13,1,,1,1,122,122,GLY,N,N,15,1,-9.39,,,0.5,,,1,122,Asp,Ca,1,123,Gly,N,,16579,1
+121,2JCAN_,,1,1,122,122,GLY,CA,C,13,1,,1,1,123,123,LEU,N,N,15,1,-9.33,,,0.5,,,1,123,Gly,Ca,1,124,Leu,N,,16579,1
+122,2JCAN_,,1,1,123,123,LEU,CA,C,13,1,,1,1,124,124,ARG,N,N,15,1,-8.58,,,0.5,,,1,124,Leu,Ca,1,125,Arg,N,,16579,1
+123,2JCAN_,,1,1,124,124,ARG,CA,C,13,1,,1,1,125,125,ILE,N,N,15,1,-8.49,,,0.5,,,1,125,Arg,Ca,1,126,Ile,N,,16579,1
+124,2JCAN_,,1,1,125,125,ILE,CA,C,13,1,,1,1,126,126,ASP,N,N,15,1,-8.72,,,0.5,,,1,126,Ile,Ca,1,127,Asp,N,,16579,1
+125,2JCAN_,,1,1,126,126,ASP,CA,C,13,1,,1,1,127,127,GLY,N,N,15,1,-8.53,,,0.5,,,1,127,Asp,Ca,1,128,Gly,N,,16579,1
+126,2JCAN_,,1,1,127,127,GLY,CA,C,13,1,,1,1,128,128,ASP,N,N,15,1,-9.28,,,0.5,,,1,128,Gly,Ca,1,129,Asp,N,,16579,1
+127,2JCAN_,,1,1,129,129,PRO,CA,C,13,1,,1,1,130,130,ARG,N,N,15,1,-5.96,,,0.5,,,1,130,Pro,Ca,1,131,Arg,N,,16579,1
+128,2JCAN_,,1,1,130,130,ARG,CA,C,13,1,,1,1,131,131,ALA,N,N,15,1,-5.78,,,0.5,,,1,131,Arg,Ca,1,132,Ala,N,,16579,1
+129,2JCAN_,,1,1,131,131,ALA,CA,C,13,1,,1,1,132,132,ALA,N,N,15,1,-6.2,,,0.5,,,1,132,Ala,Ca,1,133,Ala,N,,16579,1
+130,2JCAN_,,1,1,132,132,ALA,CA,C,13,1,,1,1,133,133,ARG,N,N,15,1,-6.02,,,0.5,,,1,133,Ala,Ca,1,134,Arg,N,,16579,1
+131,2JCAN_,,1,1,133,133,ARG,CA,C,13,1,,1,1,134,134,ASP,N,N,15,1,-5.96,,,0.5,,,1,134,Arg,Ca,1,135,Asp,N,,16579,1
+132,2JCAN_,,1,1,134,134,ASP,CA,C,13,1,,1,1,135,135,ASP,N,N,15,1,-5.72,,,0.5,,,1,135,Asp,Ca,1,136,Asp,N,,16579,1
+133,2JCAN_,,1,1,135,135,ASP,CA,C,13,1,,1,1,136,136,ILE,N,N,15,1,-5.97,,,0.5,,,1,136,Asp,Ca,1,137,Ile,N,,16579,1
+134,2JCAN_,,1,1,136,136,ILE,CA,C,13,1,,1,1,137,137,VAL,N,N,15,1,-6.36,,,0.5,,,1,137,Ile,Ca,1,138,Val,N,,16579,1
+135,2JCAN_,,1,1,137,137,VAL,CA,C,13,1,,1,1,138,138,GLY,N,N,15,1,-6.43,,,0.5,,,1,138,Val,Ca,1,139,Gly,N,,16579,1
+136,2JCAN_,,1,1,138,138,GLY,CA,C,13,1,,1,1,139,139,TRP,N,N,15,1,-6.47,,,0.5,,,1,139,Gly,Ca,1,140,Trp,N,,16579,1
+137,2JCAN_,,1,1,139,139,TRP,CA,C,13,1,,1,1,140,140,ALA,N,N,15,1,-6.14,,,0.5,,,1,140,Trp,Ca,1,141,Ala,N,,16579,1
+138,2JCAN_,,1,1,140,140,ALA,CA,C,13,1,,1,1,141,141,HIS,N,N,15,1,-6.93,,,0.5,,,1,141,Ala,Ca,1,142,His,N,,16579,1
+139,2JCAN_,,1,1,141,141,HIS,CA,C,13,1,,1,1,142,142,ASP,N,N,15,1,-5.87,,,0.5,,,1,142,His,Ca,1,143,Asp,N,,16579,1
+140,2JCAN_,,1,1,142,142,ASP,CA,C,13,1,,1,1,143,143,VAL,N,N,15,1,-5.95,,,0.5,,,1,143,Asp,Ca,1,144,Val,N,,16579,1
+141,2JCAN_,,1,1,143,143,VAL,CA,C,13,1,,1,1,144,144,ARG,N,N,15,1,-6.07,,,0.5,,,1,144,Val,Ca,1,145,Arg,N,,16579,1
+142,2JCAN_,,1,1,144,144,ARG,CA,C,13,1,,1,1,145,145,GLY,N,N,15,1,-6.29,,,0.5,,,1,145,Arg,Ca,1,146,Gly,N,,16579,1
+143,2JCAN_,,1,1,145,145,GLY,CA,C,13,1,,1,1,146,146,ALA,N,N,15,1,-6.35,,,0.5,,,1,146,Gly,Ca,1,147,Ala,N,,16579,1
+144,2JCAN_,,1,1,146,146,ALA,CA,C,13,1,,1,1,147,147,ILE,N,N,15,1,-6.23,,,0.5,,,1,147,Ala,Ca,1,148,Ile,N,,16579,1

2J_coupling_fullset/experiments/16579_2JHNCa_loop0.csv

@@ -0,0 +1,133 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JHNCA,,1,1,2,2,LYS,H,H,1,1,,1,1,2,2,LYS,CA,C,13,1,0.88,,,0.5,,,1,3,Lys,HN,1,3,Lys,Ca,,16579,2
+2,2JHNCA,,1,1,3,3,ALA,H,H,1,1,,1,1,3,3,ALA,CA,C,13,1,1.24,,,0.5,,,1,4,Ala,HN,1,4,Ala,Ca,,16579,2
+3,2JHNCA,,1,1,4,4,LEU,H,H,1,1,,1,1,4,4,LEU,CA,C,13,1,1.38,,,0.5,,,1,5,Leu,HN,1,5,Leu,Ca,,16579,2
+4,2JHNCA,,1,1,5,5,ILE,H,H,1,1,,1,1,5,5,ILE,CA,C,13,1,1.74,,,0.5,,,1,6,Ile,HN,1,6,Ile,Ca,,16579,2
+5,2JHNCA,,1,1,6,6,VAL,H,H,1,1,,1,1,6,6,VAL,CA,C,13,1,1.33,,,0.5,,,1,7,Val,HN,1,7,Val,Ca,,16579,2
+6,2JHNCA,,1,1,7,7,TYR,H,H,1,1,,1,1,7,7,TYR,CA,C,13,1,1.22,,,0.5,,,1,8,Tyr,HN,1,8,Tyr,Ca,,16579,2
+7,2JHNCA,,1,1,8,8,GLY,H,H,1,1,,1,1,8,8,GLY,CA,C,13,1,1.32,,,0.5,,,1,9,Gly,HN,1,9,Gly,Ca,,16579,2
+8,2JHNCA,,1,1,9,9,SER,H,H,1,1,,1,1,9,9,SER,CA,C,13,1,2.39,,,0.5,,,1,10,Ser,HN,1,10,Ser,Ca,,16579,2
+9,2JHNCA,,1,1,10,10,THR,H,H,1,1,,1,1,10,10,THR,CA,C,13,1,2.01,,,0.5,,,1,11,Thr,HN,1,11,Thr,Ca,,16579,2
+10,2JHNCA,,1,1,11,11,THR,H,H,1,1,,1,1,11,11,THR,CA,C,13,1,1.46,,,0.5,,,1,12,Thr,HN,1,12,Thr,Ca,,16579,2
+11,2JHNCA,,1,1,12,12,GLY,H,H,1,1,,1,1,12,12,GLY,CA,C,13,1,2.03,,,0.5,,,1,13,Gly,HN,1,13,Gly,Ca,,16579,2
+12,2JHNCA,,1,1,13,13,ASN,H,H,1,1,,1,1,13,13,ASN,CA,C,13,1,3.1,,,0.5,,,1,14,Asn,HN,1,14,Asn,Ca,,16579,2
+13,2JHNCA,,1,1,14,14,THR,H,H,1,1,,1,1,14,14,THR,CA,C,13,1,2.48,,,0.5,,,1,15,Thr,HN,1,15,Thr,Ca,,16579,2
+14,2JHNCA,,1,1,15,15,GLU,H,H,1,1,,1,1,15,15,GLU,CA,C,13,1,2.33,,,0.5,,,1,16,Glu,HN,1,16,Glu,Ca,,16579,2
+15,2JHNCA,,1,1,16,16,TYR,H,H,1,1,,1,1,16,16,TYR,CA,C,13,1,2.4,,,0.5,,,1,17,Tyr,HN,1,17,Tyr,Ca,,16579,2
+16,2JHNCA,,1,1,18,18,ALA,H,H,1,1,,1,1,18,18,ALA,CA,C,13,1,2.42,,,0.5,,,1,19,Ala,HN,1,19,Ala,Ca,,16579,2
+17,2JHNCA,,1,1,19,19,GLU,H,H,1,1,,1,1,19,19,GLU,CA,C,13,1,2.61,,,0.5,,,1,20,Glu,HN,1,20,Glu,Ca,,16579,2
+18,2JHNCA,,1,1,20,20,THR,H,H,1,1,,1,1,20,20,THR,CA,C,13,1,2.88,,,0.5,,,1,21,Thr,HN,1,21,Thr,Ca,,16579,2
+19,2JHNCA,,1,1,21,21,ILE,H,H,1,1,,1,1,21,21,ILE,CA,C,13,1,2.22,,,0.5,,,1,22,Ile,HN,1,22,Ile,Ca,,16579,2
+20,2JHNCA,,1,1,22,22,ALA,H,H,1,1,,1,1,22,22,ALA,CA,C,13,1,2.64,,,0.5,,,1,23,Ala,HN,1,23,Ala,Ca,,16579,2
+21,2JHNCA,,1,1,23,23,ARG,H,H,1,1,,1,1,23,23,ARG,CA,C,13,1,2.49,,,0.5,,,1,24,Arg,HN,1,24,Arg,Ca,,16579,2
+22,2JHNCA,,1,1,24,24,GLU,H,H,1,1,,1,1,24,24,GLU,CA,C,13,1,2.52,,,0.5,,,1,25,Glu,HN,1,25,Glu,Ca,,16579,2
+23,2JHNCA,,1,1,25,25,LEU,H,H,1,1,,1,1,25,25,LEU,CA,C,13,1,2.26,,,0.5,,,1,26,Leu,HN,1,26,Leu,Ca,,16579,2
+24,2JHNCA,,1,1,26,26,ALA,H,H,1,1,,1,1,26,26,ALA,CA,C,13,1,2.73,,,0.5,,,1,27,Ala,HN,1,27,Ala,Ca,,16579,2
+25,2JHNCA,,1,1,27,27,ASP,H,H,1,1,,1,1,27,27,ASP,CA,C,13,1,2.84,,,0.5,,,1,28,Asp,HN,1,28,Asp,Ca,,16579,2
+26,2JHNCA,,1,1,28,28,ALA,H,H,1,1,,1,1,28,28,ALA,CA,C,13,1,2.06,,,0.5,,,1,29,Ala,HN,1,29,Ala,Ca,,16579,2
+27,2JHNCA,,1,1,29,29,GLY,H,H,1,1,,1,1,29,29,GLY,CA,C,13,1,2.1,,,0.5,,,1,30,Gly,HN,1,30,Gly,Ca,,16579,2
+28,2JHNCA,,1,1,30,30,TYR,H,H,1,1,,1,1,30,30,TYR,CA,C,13,1,2.08,,,0.5,,,1,31,Tyr,HN,1,31,Tyr,Ca,,16579,2
+29,2JHNCA,,1,1,31,31,GLU,H,H,1,1,,1,1,31,31,GLU,CA,C,13,1,1.32,,,0.5,,,1,32,Glu,HN,1,32,Glu,Ca,,16579,2
+30,2JHNCA,,1,1,32,32,VAL,H,H,1,1,,1,1,32,32,VAL,CA,C,13,1,1.22,,,0.5,,,1,33,Val,HN,1,33,Val,Ca,,16579,2
+31,2JHNCA,,1,1,33,33,ASP,H,H,1,1,,1,1,33,33,ASP,CA,C,13,1,1.09,,,0.5,,,1,34,Asp,HN,1,34,Asp,Ca,,16579,2
+32,2JHNCA,,1,1,34,34,SER,H,H,1,1,,1,1,34,34,SER,CA,C,13,1,1.34,,,0.5,,,1,35,Ser,HN,1,35,Ser,Ca,,16579,2
+33,2JHNCA,,1,1,35,35,ARG,H,H,1,1,,1,1,35,35,ARG,CA,C,13,1,1.13,,,0.5,,,1,36,Arg,HN,1,36,Arg,Ca,,16579,2
+34,2JHNCA,,1,1,36,36,ASP,H,H,1,1,,1,1,36,36,ASP,CA,C,13,1,1.73,,,0.5,,,1,37,Asp,HN,1,37,Asp,Ca,,16579,2
+35,2JHNCA,,1,1,37,37,ALA,H,H,1,1,,1,1,37,37,ALA,CA,C,13,1,3.27,,,0.5,,,1,38,Ala,HN,1,38,Ala,Ca,,16579,2
+36,2JHNCA,,1,1,38,38,ALA,H,H,1,1,,1,1,38,38,ALA,CA,C,13,1,2.96,,,0.5,,,1,39,Ala,HN,1,39,Ala,Ca,,16579,2
+37,2JHNCA,,1,1,39,39,SER,H,H,1,1,,1,1,39,39,SER,CA,C,13,1,2.26,,,0.5,,,1,40,Ser,HN,1,40,Ser,Ca,,16579,2
+38,2JHNCA,,1,1,40,40,VAL,H,H,1,1,,1,1,40,40,VAL,CA,C,13,1,1.9,,,0.5,,,1,41,Val,HN,1,41,Val,Ca,,16579,2
+39,2JHNCA,,1,1,41,41,GLU,H,H,1,1,,1,1,41,41,GLU,CA,C,13,1,1.65,,,0.5,,,1,42,Glu,HN,1,42,Glu,Ca,,16579,2
+40,2JHNCA,,1,1,42,42,ALA,H,H,1,1,,1,1,42,42,ALA,CA,C,13,1,2.95,,,0.5,,,1,43,Ala,HN,1,43,Ala,Ca,,16579,2
+41,2JHNCA,,1,1,43,43,GLY,H,H,1,1,,1,1,43,43,GLY,CA,C,13,1,2.14,,,0.5,,,1,44,Gly,HN,1,44,Gly,Ca,,16579,2
+42,2JHNCA,,1,1,44,44,GLY,H,H,1,1,,1,1,44,44,GLY,CA,C,13,1,2.33,,,0.5,,,1,45,Gly,HN,1,45,Gly,Ca,,16579,2
+43,2JHNCA,,1,1,45,45,LEU,H,H,1,1,,1,1,45,45,LEU,CA,C,13,1,2.04,,,0.5,,,1,46,Leu,HN,1,46,Leu,Ca,,16579,2
+44,2JHNCA,,1,1,46,46,PHE,H,H,1,1,,1,1,46,46,PHE,CA,C,13,1,1.63,,,0.5,,,1,47,Phe,HN,1,47,Phe,Ca,,16579,2
+45,2JHNCA,,1,1,47,47,GLU,H,H,1,1,,1,1,47,47,GLU,CA,C,13,1,2.5,,,0.5,,,1,48,Glu,HN,1,48,Glu,Ca,,16579,2
+46,2JHNCA,,1,1,48,48,GLY,H,H,1,1,,1,1,48,48,GLY,CA,C,13,1,1.99,,,0.5,,,1,49,Gly,HN,1,49,Gly,Ca,,16579,2
+47,2JHNCA,,1,1,49,49,PHE,H,H,1,1,,1,1,49,49,PHE,CA,C,13,1,1.36,,,0.5,,,1,50,Phe,HN,1,50,Phe,Ca,,16579,2
+48,2JHNCA,,1,1,50,50,ASP,H,H,1,1,,1,1,50,50,ASP,CA,C,13,1,1.31,,,0.5,,,1,51,Asp,HN,1,51,Asp,Ca,,16579,2
+49,2JHNCA,,1,1,51,51,LEU,H,H,1,1,,1,1,51,51,LEU,CA,C,13,1,1.18,,,0.5,,,1,52,Leu,HN,1,52,Leu,Ca,,16579,2
+50,2JHNCA,,1,1,52,52,VAL,H,H,1,1,,1,1,52,52,VAL,CA,C,13,1,1.15,,,0.5,,,1,53,Val,HN,1,53,Val,Ca,,16579,2
+51,2JHNCA,,1,1,53,53,LEU,H,H,1,1,,1,1,53,53,LEU,CA,C,13,1,1.39,,,0.5,,,1,54,Leu,HN,1,54,Leu,Ca,,16579,2
+52,2JHNCA,,1,1,54,54,LEU,H,H,1,1,,1,1,54,54,LEU,CA,C,13,1,2.06,,,0.5,,,1,55,Leu,HN,1,55,Leu,Ca,,16579,2
+53,2JHNCA,,1,1,55,55,GLY,H,H,1,1,,1,1,55,55,GLY,CA,C,13,1,1.68,,,0.5,,,1,56,Gly,HN,1,56,Gly,Ca,,16579,2
+54,2JHNCA,,1,1,56,56,CYS,H,H,1,1,,1,1,56,56,CYS,CA,C,13,1,3.07,,,0.5,,,1,57,Cys,HN,1,57,Cys,Ca,,16579,2
+55,2JHNCA,,1,1,57,57,SER,H,H,1,1,,1,1,57,57,SER,CA,C,13,1,2.01,,,0.5,,,1,58,Ser,HN,1,58,Ser,Ca,,16579,2
+56,2JHNCA,,1,1,58,58,THR,H,H,1,1,,1,1,58,58,THR,CA,C,13,1,2.08,,,0.5,,,1,59,Thr,HN,1,59,Thr,Ca,,16579,2
+57,2JHNCA,,1,1,59,59,TRP,H,H,1,1,,1,1,59,59,TRP,CA,C,13,1,0.71,,,0.5,,,1,60,Trp,HN,1,60,Trp,Ca,,16579,2
+58,2JHNCA,,1,1,60,60,GLY,H,H,1,1,,1,1,60,60,GLY,CA,C,13,1,0.47,,,0.5,,,1,61,Gly,HN,1,61,Gly,Ca,,16579,2
+59,2JHNCA,,1,1,61,61,ASP,H,H,1,1,,1,1,61,61,ASP,CA,C,13,1,2.29,,,0.5,,,1,62,Asp,HN,1,62,Asp,Ca,,16579,2
+60,2JHNCA,,1,1,62,62,ASP,H,H,1,1,,1,1,62,62,ASP,CA,C,13,1,0.6,,,0.5,,,1,63,Asp,HN,1,63,Asp,Ca,,16579,2
+61,2JHNCA,,1,1,63,63,SER,H,H,1,1,,1,1,63,63,SER,CA,C,13,1,1.35,,,0.5,,,1,64,Ser,HN,1,64,Ser,Ca,,16579,2
+62,2JHNCA,,1,1,64,64,ILE,H,H,1,1,,1,1,64,64,ILE,CA,C,13,1,1.75,,,0.5,,,1,65,Ile,HN,1,65,Ile,Ca,,16579,2
+63,2JHNCA,,1,1,65,65,GLU,H,H,1,1,,1,1,65,65,GLU,CA,C,13,1,1.04,,,0.5,,,1,66,Glu,HN,1,66,Glu,Ca,,16579,2
+64,2JHNCA,,1,1,66,66,LEU,H,H,1,1,,1,1,66,66,LEU,CA,C,13,1,0.75,,,0.5,,,1,67,Leu,HN,1,67,Leu,Ca,,16579,2
+65,2JHNCA,,1,1,67,67,GLN,H,H,1,1,,1,1,67,67,GLN,CA,C,13,1,2.53,,,0.5,,,1,68,Gln,HN,1,68,Gln,Ca,,16579,2
+66,2JHNCA,,1,1,69,69,ASP,H,H,1,1,,1,1,69,69,ASP,CA,C,13,1,2.63,,,0.5,,,1,70,Asp,HN,1,70,Asp,Ca,,16579,2
+67,2JHNCA,,1,1,70,70,PHE,H,H,1,1,,1,1,70,70,PHE,CA,C,13,1,0.79,,,0.5,,,1,71,Phe,HN,1,71,Phe,Ca,,16579,2
+68,2JHNCA,,1,1,71,71,ILE,H,H,1,1,,1,1,71,71,ILE,CA,C,13,1,2.73,,,0.5,,,1,72,Ile,HN,1,72,Ile,Ca,,16579,2
+69,2JHNCA,,1,1,73,73,LEU,H,H,1,1,,1,1,73,73,LEU,CA,C,13,1,1.79,,,0.5,,,1,74,Leu,HN,1,74,Leu,Ca,,16579,2
+70,2JHNCA,,1,1,74,74,PHE,H,H,1,1,,1,1,74,74,PHE,CA,C,13,1,2.52,,,0.5,,,1,75,Phe,HN,1,75,Phe,Ca,,16579,2
+71,2JHNCA,,1,1,75,75,ASP,H,H,1,1,,1,1,75,75,ASP,CA,C,13,1,2.9,,,0.5,,,1,76,Asp,HN,1,76,Asp,Ca,,16579,2
+72,2JHNCA,,1,1,76,76,SER,H,H,1,1,,1,1,76,76,SER,CA,C,13,1,1.31,,,0.5,,,1,77,Ser,HN,1,77,Ser,Ca,,16579,2
+73,2JHNCA,,1,1,77,77,LEU,H,H,1,1,,1,1,77,77,LEU,CA,C,13,1,2.42,,,0.5,,,1,78,Leu,HN,1,78,Leu,Ca,,16579,2
+74,2JHNCA,,1,1,78,78,GLU,H,H,1,1,,1,1,78,78,GLU,CA,C,13,1,2.36,,,0.5,,,1,79,Glu,HN,1,79,Glu,Ca,,16579,2
+75,2JHNCA,,1,1,79,79,GLU,H,H,1,1,,1,1,79,79,GLU,CA,C,13,1,2.32,,,0.5,,,1,80,Glu,HN,1,80,Glu,Ca,,16579,2
+76,2JHNCA,,1,1,80,80,THR,H,H,1,1,,1,1,80,80,THR,CA,C,13,1,2.45,,,0.5,,,1,81,Thr,HN,1,81,Thr,Ca,,16579,2
+77,2JHNCA,,1,1,81,81,GLY,H,H,1,1,,1,1,81,81,GLY,CA,C,13,1,1.74,,,0.5,,,1,82,Gly,HN,1,82,Gly,Ca,,16579,2
+78,2JHNCA,,1,1,82,82,ALA,H,H,1,1,,1,1,82,82,ALA,CA,C,13,1,2.79,,,0.5,,,1,83,Ala,HN,1,83,Ala,Ca,,16579,2
+79,2JHNCA,,1,1,83,83,GLN,H,H,1,1,,1,1,83,83,GLN,CA,C,13,1,2.63,,,0.5,,,1,84,Gln,HN,1,84,Gln,Ca,,16579,2
+80,2JHNCA,,1,1,84,84,GLY,H,H,1,1,,1,1,84,84,GLY,CA,C,13,1,2.12,,,0.5,,,1,85,Gly,HN,1,85,Gly,Ca,,16579,2
+81,2JHNCA,,1,1,86,86,LYS,H,H,1,1,,1,1,86,86,LYS,CA,C,13,1,2.31,,,0.5,,,1,87,Lys,HN,1,87,Lys,Ca,,16579,2
+82,2JHNCA,,1,1,87,87,VAL,H,H,1,1,,1,1,87,87,VAL,CA,C,13,1,0.85,,,0.5,,,1,88,Val,HN,1,88,Val,Ca,,16579,2
+83,2JHNCA,,1,1,88,88,ALA,H,H,1,1,,1,1,88,88,ALA,CA,C,13,1,2.08,,,0.5,,,1,89,Ala,HN,1,89,Ala,Ca,,16579,2
+84,2JHNCA,,1,1,89,89,CYS,H,H,1,1,,1,1,89,89,CYS,CA,C,13,1,0.39,,,0.5,,,1,90,Cys,HN,1,90,Cys,Ca,,16579,2
+85,2JHNCA,,1,1,90,90,PHE,H,H,1,1,,1,1,90,90,PHE,CA,C,13,1,1.45,,,0.5,,,1,91,Phe,HN,1,91,Phe,Ca,,16579,2
+86,2JHNCA,,1,1,91,91,GLY,H,H,1,1,,1,1,91,91,GLY,CA,C,13,1,2.17,,,0.5,,,1,92,Gly,HN,1,92,Gly,Ca,,16579,2
+87,2JHNCA,,1,1,92,92,CYS,H,H,1,1,,1,1,92,92,CYS,CA,C,13,1,1.06,,,0.5,,,1,93,Cys,HN,1,93,Cys,Ca,,16579,2
+88,2JHNCA,,1,1,93,93,GLY,H,H,1,1,,1,1,93,93,GLY,CA,C,13,1,1.17,,,0.5,,,1,94,Gly,HN,1,94,Gly,Ca,,16579,2
+89,2JHNCA,,1,1,94,94,ASP,H,H,1,1,,1,1,94,94,ASP,CA,C,13,1,2.17,,,0.5,,,1,95,Asp,HN,1,95,Asp,Ca,,16579,2
+90,2JHNCA,,1,1,95,95,SER,H,H,1,1,,1,1,95,95,SER,CA,C,13,1,2.91,,,0.5,,,1,96,Ser,HN,1,96,Ser,Ca,,16579,2
+91,2JHNCA,,1,1,96,96,SER,H,H,1,1,,1,1,96,96,SER,CA,C,13,1,2.22,,,0.5,,,1,97,Ser,HN,1,97,Ser,Ca,,16579,2
+92,2JHNCA,,1,1,98,98,GLU,H,H,1,1,,1,1,98,98,GLU,CA,C,13,1,2.34,,,0.5,,,1,99,Glu,HN,1,99,Glu,Ca,,16579,2
+93,2JHNCA,,1,1,99,99,TYR,H,H,1,1,,1,1,99,99,TYR,CA,C,13,1,1.51,,,0.5,,,1,100,Tyr,HN,1,100,Tyr,Ca,,16579,2
+94,2JHNCA,,1,1,100,100,PHE,H,H,1,1,,1,1,100,100,PHE,CA,C,13,1,2.64,,,0.5,,,1,101,Phe,HN,1,101,Phe,Ca,,16579,2
+95,2JHNCA,,1,1,101,101,CYS,H,H,1,1,,1,1,101,101,CYS,CA,C,13,1,2.9,,,0.5,,,1,102,Cys,HN,1,102,Cys,Ca,,16579,2
+96,2JHNCA,,1,1,102,102,GLY,H,H,1,1,,1,1,102,102,GLY,CA,C,13,1,2.87,,,0.5,,,1,103,Gly,HN,1,103,Gly,Ca,,16579,2
+97,2JHNCA,,1,1,104,104,VAL,H,H,1,1,,1,1,104,104,VAL,CA,C,13,1,1.68,,,0.5,,,1,105,Val,HN,1,105,Val,Ca,,16579,2
+98,2JHNCA,,1,1,105,105,ASP,H,H,1,1,,1,1,105,105,ASP,CA,C,13,1,2.34,,,0.5,,,1,106,Asp,HN,1,106,Asp,Ca,,16579,2
+99,2JHNCA,,1,1,107,107,ILE,H,H,1,1,,1,1,107,107,ILE,CA,C,13,1,2.16,,,0.5,,,1,108,Ile,HN,1,108,Ile,Ca,,16579,2
+100,2JHNCA,,1,1,108,108,GLU,H,H,1,1,,1,1,108,108,GLU,CA,C,13,1,2.66,,,0.5,,,1,109,Glu,HN,1,109,Glu,Ca,,16579,2
+101,2JHNCA,,1,1,109,109,GLU,H,H,1,1,,1,1,109,109,GLU,CA,C,13,1,2.53,,,0.5,,,1,110,Glu,HN,1,110,Glu,Ca,,16579,2
+102,2JHNCA,,1,1,110,110,LYS,H,H,1,1,,1,1,110,110,LYS,CA,C,13,1,2.56,,,0.5,,,1,111,Lys,HN,1,111,Lys,Ca,,16579,2
+103,2JHNCA,,1,1,111,111,LEU,H,H,1,1,,1,1,111,111,LEU,CA,C,13,1,2.28,,,0.5,,,1,112,Leu,HN,1,112,Leu,Ca,,16579,2
+104,2JHNCA,,1,1,112,112,LYS,H,H,1,1,,1,1,112,112,LYS,CA,C,13,1,2.81,,,0.5,,,1,113,Lys,HN,1,113,Lys,Ca,,16579,2
+105,2JHNCA,,1,1,114,114,LEU,H,H,1,1,,1,1,114,114,LEU,CA,C,13,1,2.06,,,0.5,,,1,115,Leu,HN,1,115,Leu,Ca,,16579,2
+106,2JHNCA,,1,1,115,115,GLY,H,H,1,1,,1,1,115,115,GLY,CA,C,13,1,2.07,,,0.5,,,1,116,Gly,HN,1,116,Gly,Ca,,16579,2
+107,2JHNCA,,1,1,116,116,ALA,H,H,1,1,,1,1,116,116,ALA,CA,C,13,1,1.4,,,0.5,,,1,117,Ala,HN,1,117,Ala,Ca,,16579,2
+108,2JHNCA,,1,1,118,118,ILE,H,H,1,1,,1,1,118,118,ILE,CA,C,13,1,1.81,,,0.5,,,1,119,Ile,HN,1,119,Ile,Ca,,16579,2
+109,2JHNCA,,1,1,119,119,VAL,H,H,1,1,,1,1,119,119,VAL,CA,C,13,1,2.8,,,0.5,,,1,120,Val,HN,1,120,Val,Ca,,16579,2
+110,2JHNCA,,1,1,120,120,GLN,H,H,1,1,,1,1,120,120,GLN,CA,C,13,1,2.28,,,0.5,,,1,121,Gln,HN,1,121,Gln,Ca,,16579,2
+111,2JHNCA,,1,1,122,122,GLY,H,H,1,1,,1,1,122,122,GLY,CA,C,13,1,1.64,,,0.5,,,1,123,Gly,HN,1,123,Gly,Ca,,16579,2
+112,2JHNCA,,1,1,123,123,LEU,H,H,1,1,,1,1,123,123,LEU,CA,C,13,1,2.35,,,0.5,,,1,124,Leu,HN,1,124,Leu,Ca,,16579,2
+113,2JHNCA,,1,1,124,124,ARG,H,H,1,1,,1,1,124,124,ARG,CA,C,13,1,1.71,,,0.5,,,1,125,Arg,HN,1,125,Arg,Ca,,16579,2
+114,2JHNCA,,1,1,125,125,ILE,H,H,1,1,,1,1,125,125,ILE,CA,C,13,1,1.37,,,0.5,,,1,126,Ile,HN,1,126,Ile,Ca,,16579,2
+115,2JHNCA,,1,1,126,126,ASP,H,H,1,1,,1,1,126,126,ASP,CA,C,13,1,1.18,,,0.5,,,1,127,Asp,HN,1,127,Asp,Ca,,16579,2
+116,2JHNCA,,1,1,127,127,GLY,H,H,1,1,,1,1,127,127,GLY,CA,C,13,1,2.41,,,0.5,,,1,128,Gly,HN,1,128,Gly,Ca,,16579,2
+117,2JHNCA,,1,1,130,130,ARG,H,H,1,1,,1,1,130,130,ARG,CA,C,13,1,2.27,,,0.5,,,1,131,Arg,HN,1,131,Arg,Ca,,16579,2
+118,2JHNCA,,1,1,131,131,ALA,H,H,1,1,,1,1,131,131,ALA,CA,C,13,1,2.08,,,0.5,,,1,132,Ala,HN,1,132,Ala,Ca,,16579,2
+119,2JHNCA,,1,1,132,132,ALA,H,H,1,1,,1,1,132,132,ALA,CA,C,13,1,1.1,,,0.5,,,1,133,Ala,HN,1,133,Ala,Ca,,16579,2
+120,2JHNCA,,1,1,133,133,ARG,H,H,1,1,,1,1,133,133,ARG,CA,C,13,1,2.68,,,0.5,,,1,134,Arg,HN,1,134,Arg,Ca,,16579,2
+121,2JHNCA,,1,1,134,134,ASP,H,H,1,1,,1,1,134,134,ASP,CA,C,13,1,2.65,,,0.5,,,1,135,Asp,HN,1,135,Asp,Ca,,16579,2
+122,2JHNCA,,1,1,136,136,ILE,H,H,1,1,,1,1,136,136,ILE,CA,C,13,1,2.34,,,0.5,,,1,137,Ile,HN,1,137,Ile,Ca,,16579,2
+123,2JHNCA,,1,1,137,137,VAL,H,H,1,1,,1,1,137,137,VAL,CA,C,13,1,2.88,,,0.5,,,1,138,Val,HN,1,138,Val,Ca,,16579,2
+124,2JHNCA,,1,1,138,138,GLY,H,H,1,1,,1,1,138,138,GLY,CA,C,13,1,2.23,,,0.5,,,1,139,Gly,HN,1,139,Gly,Ca,,16579,2
+125,2JHNCA,,1,1,139,139,TRP,H,H,1,1,,1,1,139,139,TRP,CA,C,13,1,2.62,,,0.5,,,1,140,Trp,HN,1,140,Trp,Ca,,16579,2
+126,2JHNCA,,1,1,140,140,ALA,H,H,1,1,,1,1,140,140,ALA,CA,C,13,1,2.82,,,0.5,,,1,141,Ala,HN,1,141,Ala,Ca,,16579,2
+127,2JHNCA,,1,1,141,141,HIS,H,H,1,1,,1,1,141,141,HIS,CA,C,13,1,2.21,,,0.5,,,1,142,His,HN,1,142,His,Ca,,16579,2
+128,2JHNCA,,1,1,143,143,VAL,H,H,1,1,,1,1,143,143,VAL,CA,C,13,1,2.54,,,0.5,,,1,144,Val,HN,1,144,Val,Ca,,16579,2
+129,2JHNCA,,1,1,144,144,ARG,H,H,1,1,,1,1,144,144,ARG,CA,C,13,1,3.09,,,0.5,,,1,145,Arg,HN,1,145,Arg,Ca,,16579,2
+130,2JHNCA,,1,1,145,145,GLY,H,H,1,1,,1,1,145,145,GLY,CA,C,13,1,1.88,,,0.5,,,1,146,Gly,HN,1,146,Gly,Ca,,16579,2
+131,2JHNCA,,1,1,146,146,ALA,H,H,1,1,,1,1,146,146,ALA,CA,C,13,1,1.91,,,0.5,,,1,147,Ala,HN,1,147,Ala,Ca,,16579,2
+132,2JHNCA,,1,1,147,147,ILE,H,H,1,1,,1,1,147,147,ILE,CA,C,13,1,1.66,,,0.5,,,1,148,Ile,HN,1,148,Ile,Ca,,16579,2

2J_coupling_fullset/experiments/16579_2JN_Ha_loop0.csv

@@ -0,0 +1,124 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JN_HA,,1,1,2,2,LYS,N,N,15,1,,1,1,2,2,LYS,HA,H,1,1,0.54,,,0.5,,,1,3,Lys,N,1,3,Lys,HA,,16579,4
+2,2JN_HA,,1,1,3,3,ALA,N,N,15,1,,1,1,3,3,ALA,HA,H,1,1,0.08,,,0.5,,,1,4,Ala,N,1,4,Ala,HA,,16579,4
+3,2JN_HA,,1,1,4,4,LEU,N,N,15,1,,1,1,4,4,LEU,HA,H,1,1,0.48,,,0.5,,,1,5,Leu,N,1,5,Leu,HA,,16579,4
+4,2JN_HA,,1,1,5,5,ILE,N,N,15,1,,1,1,5,5,ILE,HA,H,1,1,0.58,,,0.5,,,1,6,Ile,N,1,6,Ile,HA,,16579,4
+5,2JN_HA,,1,1,6,6,VAL,N,N,15,1,,1,1,6,6,VAL,HA,H,1,1,0.81,,,0.5,,,1,7,Val,N,1,7,Val,HA,,16579,4
+6,2JN_HA,,1,1,7,7,TYR,N,N,15,1,,1,1,7,7,TYR,HA,H,1,1,-0.26,,,0.5,,,1,8,Tyr,N,1,8,Tyr,HA,,16579,4
+7,2JN_HA,,1,1,9,9,SER,N,N,15,1,,1,1,9,9,SER,HA,H,1,1,0.4,,,0.5,,,1,10,Ser,N,1,10,Ser,HA,,16579,4
+8,2JN_HA,,1,1,10,10,THR,N,N,15,1,,1,1,10,10,THR,HA,H,1,1,0.78,,,0.5,,,1,11,Thr,N,1,11,Thr,HA,,16579,4
+9,2JN_HA,,1,1,11,11,THR,N,N,15,1,,1,1,11,11,THR,HA,H,1,1,0.87,,,0.5,,,1,12,Thr,N,1,12,Thr,HA,,16579,4
+10,2JN_HA,,1,1,13,13,ASN,N,N,15,1,,1,1,13,13,ASN,HA,H,1,1,0.34,,,0.5,,,1,14,Asn,N,1,14,Asn,HA,,16579,4
+11,2JN_HA,,1,1,14,14,THR,N,N,15,1,,1,1,14,14,THR,HA,H,1,1,0.23,,,0.5,,,1,15,Thr,N,1,15,Thr,HA,,16579,4
+12,2JN_HA,,1,1,15,15,GLU,N,N,15,1,,1,1,15,15,GLU,HA,H,1,1,0.23,,,0.5,,,1,16,Glu,N,1,16,Glu,HA,,16579,4
+13,2JN_HA,,1,1,16,16,TYR,N,N,15,1,,1,1,16,16,TYR,HA,H,1,1,0.56,,,0.5,,,1,17,Tyr,N,1,17,Tyr,HA,,16579,4
+14,2JN_HA,,1,1,18,18,ALA,N,N,15,1,,1,1,18,18,ALA,HA,H,1,1,0.24,,,0.5,,,1,19,Ala,N,1,19,Ala,HA,,16579,4
+15,2JN_HA,,1,1,19,19,GLU,N,N,15,1,,1,1,19,19,GLU,HA,H,1,1,0.77,,,0.5,,,1,20,Glu,N,1,20,Glu,HA,,16579,4
+16,2JN_HA,,1,1,20,20,THR,N,N,15,1,,1,1,20,20,THR,HA,H,1,1,0.5,,,0.5,,,1,21,Thr,N,1,21,Thr,HA,,16579,4
+17,2JN_HA,,1,1,21,21,ILE,N,N,15,1,,1,1,21,21,ILE,HA,H,1,1,0.48,,,0.5,,,1,22,Ile,N,1,22,Ile,HA,,16579,4
+18,2JN_HA,,1,1,23,23,ARG,N,N,15,1,,1,1,23,23,ARG,HA,H,1,1,0.36,,,0.5,,,1,24,Arg,N,1,24,Arg,HA,,16579,4
+19,2JN_HA,,1,1,24,24,GLU,N,N,15,1,,1,1,24,24,GLU,HA,H,1,1,0.23,,,0.5,,,1,25,Glu,N,1,25,Glu,HA,,16579,4
+20,2JN_HA,,1,1,25,25,LEU,N,N,15,1,,1,1,25,25,LEU,HA,H,1,1,0.27,,,0.5,,,1,26,Leu,N,1,26,Leu,HA,,16579,4
+21,2JN_HA,,1,1,26,26,ALA,N,N,15,1,,1,1,26,26,ALA,HA,H,1,1,0.42,,,0.5,,,1,27,Ala,N,1,27,Ala,HA,,16579,4
+22,2JN_HA,,1,1,27,27,ASP,N,N,15,1,,1,1,27,27,ASP,HA,H,1,1,0.7,,,0.5,,,1,28,Asp,N,1,28,Asp,HA,,16579,4
+23,2JN_HA,,1,1,28,28,ALA,N,N,15,1,,1,1,28,28,ALA,HA,H,1,1,1.09,,,0.5,,,1,29,Ala,N,1,29,Ala,HA,,16579,4
+24,2JN_HA,,1,1,30,30,TYR,N,N,15,1,,1,1,30,30,TYR,HA,H,1,1,-0.14,,,0.5,,,1,31,Tyr,N,1,31,Tyr,HA,,16579,4
+25,2JN_HA,,1,1,31,31,GLU,N,N,15,1,,1,1,31,31,GLU,HA,H,1,1,0.79,,,0.5,,,1,32,Glu,N,1,32,Glu,HA,,16579,4
+26,2JN_HA,,1,1,32,32,VAL,N,N,15,1,,1,1,32,32,VAL,HA,H,1,1,0.87,,,0.5,,,1,33,Val,N,1,33,Val,HA,,16579,4
+27,2JN_HA,,1,1,33,33,ASP,N,N,15,1,,1,1,33,33,ASP,HA,H,1,1,0.94,,,0.5,,,1,34,Asp,N,1,34,Asp,HA,,16579,4
+28,2JN_HA,,1,1,34,34,SER,N,N,15,1,,1,1,34,34,SER,HA,H,1,1,0.51,,,0.5,,,1,35,Ser,N,1,35,Ser,HA,,16579,4
+29,2JN_HA,,1,1,35,35,ARG,N,N,15,1,,1,1,35,35,ARG,HA,H,1,1,0.57,,,0.5,,,1,36,Arg,N,1,36,Arg,HA,,16579,4
+30,2JN_HA,,1,1,36,36,ASP,N,N,15,1,,1,1,36,36,ASP,HA,H,1,1,0.38,,,0.5,,,1,37,Asp,N,1,37,Asp,HA,,16579,4
+31,2JN_HA,,1,1,37,37,ALA,N,N,15,1,,1,1,37,37,ALA,HA,H,1,1,0.22,,,0.5,,,1,38,Ala,N,1,38,Ala,HA,,16579,4
+32,2JN_HA,,1,1,38,38,ALA,N,N,15,1,,1,1,38,38,ALA,HA,H,1,1,-0.01,,,0.5,,,1,39,Ala,N,1,39,Ala,HA,,16579,4
+33,2JN_HA,,1,1,39,39,SER,N,N,15,1,,1,1,39,39,SER,HA,H,1,1,1.13,,,0.5,,,1,40,Ser,N,1,40,Ser,HA,,16579,4
+34,2JN_HA,,1,1,40,40,VAL,N,N,15,1,,1,1,40,40,VAL,HA,H,1,1,0.72,,,0.5,,,1,41,Val,N,1,41,Val,HA,,16579,4
+35,2JN_HA,,1,1,41,41,GLU,N,N,15,1,,1,1,41,41,GLU,HA,H,1,1,0.88,,,0.5,,,1,42,Glu,N,1,42,Glu,HA,,16579,4
+36,2JN_HA,,1,1,42,42,ALA,N,N,15,1,,1,1,42,42,ALA,HA,H,1,1,0.49,,,0.5,,,1,43,Ala,N,1,43,Ala,HA,,16579,4
+37,2JN_HA,,1,1,45,45,LEU,N,N,15,1,,1,1,45,45,LEU,HA,H,1,1,0.93,,,0.5,,,1,46,Leu,N,1,46,Leu,HA,,16579,4
+38,2JN_HA,,1,1,46,46,PHE,N,N,15,1,,1,1,46,46,PHE,HA,H,1,1,0.27,,,0.5,,,1,47,Phe,N,1,47,Phe,HA,,16579,4
+39,2JN_HA,,1,1,47,47,GLU,N,N,15,1,,1,1,47,47,GLU,HA,H,1,1,0.31,,,0.5,,,1,48,Glu,N,1,48,Glu,HA,,16579,4
+40,2JN_HA,,1,1,49,49,PHE,N,N,15,1,,1,1,49,49,PHE,HA,H,1,1,-0.75,,,0.5,,,1,50,Phe,N,1,50,Phe,HA,,16579,4
+41,2JN_HA,,1,1,51,51,LEU,N,N,15,1,,1,1,51,51,LEU,HA,H,1,1,1.17,,,0.5,,,1,52,Leu,N,1,52,Leu,HA,,16579,4
+42,2JN_HA,,1,1,52,52,VAL,N,N,15,1,,1,1,52,52,VAL,HA,H,1,1,0.39,,,0.5,,,1,53,Val,N,1,53,Val,HA,,16579,4
+43,2JN_HA,,1,1,53,53,LEU,N,N,15,1,,1,1,53,53,LEU,HA,H,1,1,0.3,,,0.5,,,1,54,Leu,N,1,54,Leu,HA,,16579,4
+44,2JN_HA,,1,1,54,54,LEU,N,N,15,1,,1,1,54,54,LEU,HA,H,1,1,0.3,,,0.5,,,1,55,Leu,N,1,55,Leu,HA,,16579,4
+45,2JN_HA,,1,1,56,56,CYS,N,N,15,1,,1,1,56,56,CYS,HA,H,1,1,0.5,,,0.5,,,1,57,Cys,N,1,57,Cys,HA,,16579,4
+46,2JN_HA,,1,1,57,57,SER,N,N,15,1,,1,1,57,57,SER,HA,H,1,1,-0.25,,,0.5,,,1,58,Ser,N,1,58,Ser,HA,,16579,4
+47,2JN_HA,,1,1,58,58,THR,N,N,15,1,,1,1,58,58,THR,HA,H,1,1,0.99,,,0.5,,,1,59,Thr,N,1,59,Thr,HA,,16579,4
+48,2JN_HA,,1,1,59,59,TRP,N,N,15,1,,1,1,59,59,TRP,HA,H,1,1,0.7,,,0.5,,,1,60,Trp,N,1,60,Trp,HA,,16579,4
+49,2JN_HA,,1,1,61,61,ASP,N,N,15,1,,1,1,61,61,ASP,HA,H,1,1,0.54,,,0.5,,,1,62,Asp,N,1,62,Asp,HA,,16579,4
+50,2JN_HA,,1,1,62,62,ASP,N,N,15,1,,1,1,62,62,ASP,HA,H,1,1,1.11,,,0.5,,,1,63,Asp,N,1,63,Asp,HA,,16579,4
+51,2JN_HA,,1,1,63,63,SER,N,N,15,1,,1,1,63,63,SER,HA,H,1,1,0.61,,,0.5,,,1,64,Ser,N,1,64,Ser,HA,,16579,4
+52,2JN_HA,,1,1,64,64,ILE,N,N,15,1,,1,1,64,64,ILE,HA,H,1,1,0.71,,,0.5,,,1,65,Ile,N,1,65,Ile,HA,,16579,4
+53,2JN_HA,,1,1,65,65,GLU,N,N,15,1,,1,1,65,65,GLU,HA,H,1,1,1.23,,,0.5,,,1,66,Glu,N,1,66,Glu,HA,,16579,4
+54,2JN_HA,,1,1,66,66,LEU,N,N,15,1,,1,1,66,66,LEU,HA,H,1,1,-0.14,,,0.5,,,1,67,Leu,N,1,67,Leu,HA,,16579,4
+55,2JN_HA,,1,1,67,67,GLN,N,N,15,1,,1,1,67,67,GLN,HA,H,1,1,0.27,,,0.5,,,1,68,Gln,N,1,68,Gln,HA,,16579,4
+56,2JN_HA,,1,1,68,68,ASP,N,N,15,1,,1,1,68,68,ASP,HA,H,1,1,0.44,,,0.5,,,1,69,Asp,N,1,69,Asp,HA,,16579,4
+57,2JN_HA,,1,1,69,69,ASP,N,N,15,1,,1,1,69,69,ASP,HA,H,1,1,-0.08,,,0.5,,,1,70,Asp,N,1,70,Asp,HA,,16579,4
+58,2JN_HA,,1,1,70,70,PHE,N,N,15,1,,1,1,70,70,PHE,HA,H,1,1,0.88,,,0.5,,,1,71,Phe,N,1,71,Phe,HA,,16579,4
+59,2JN_HA,,1,1,71,71,ILE,N,N,15,1,,1,1,71,71,ILE,HA,H,1,1,0.78,,,0.5,,,1,72,Ile,N,1,72,Ile,HA,,16579,4
+60,2JN_HA,,1,1,73,73,LEU,N,N,15,1,,1,1,73,73,LEU,HA,H,1,1,0.57,,,0.5,,,1,74,Leu,N,1,74,Leu,HA,,16579,4
+61,2JN_HA,,1,1,74,74,PHE,N,N,15,1,,1,1,74,74,PHE,HA,H,1,1,0.43,,,0.5,,,1,75,Phe,N,1,75,Phe,HA,,16579,4
+62,2JN_HA,,1,1,75,75,ASP,N,N,15,1,,1,1,75,75,ASP,HA,H,1,1,0.6,,,0.5,,,1,76,Asp,N,1,76,Asp,HA,,16579,4
+63,2JN_HA,,1,1,76,76,SER,N,N,15,1,,1,1,76,76,SER,HA,H,1,1,0.72,,,0.5,,,1,77,Ser,N,1,77,Ser,HA,,16579,4
+64,2JN_HA,,1,1,77,77,LEU,N,N,15,1,,1,1,77,77,LEU,HA,H,1,1,0.45,,,0.5,,,1,78,Leu,N,1,78,Leu,HA,,16579,4
+65,2JN_HA,,1,1,78,78,GLU,N,N,15,1,,1,1,78,78,GLU,HA,H,1,1,0.08,,,0.5,,,1,79,Glu,N,1,79,Glu,HA,,16579,4
+66,2JN_HA,,1,1,79,79,GLU,N,N,15,1,,1,1,79,79,GLU,HA,H,1,1,0.73,,,0.5,,,1,80,Glu,N,1,80,Glu,HA,,16579,4
+67,2JN_HA,,1,1,80,80,THR,N,N,15,1,,1,1,80,80,THR,HA,H,1,1,0.08,,,0.5,,,1,81,Thr,N,1,81,Thr,HA,,16579,4
+68,2JN_HA,,1,1,82,82,ALA,N,N,15,1,,1,1,82,82,ALA,HA,H,1,1,0.24,,,0.5,,,1,83,Ala,N,1,83,Ala,HA,,16579,4
+69,2JN_HA,,1,1,83,83,GLN,N,N,15,1,,1,1,83,83,GLN,HA,H,1,1,0.57,,,0.5,,,1,84,Gln,N,1,84,Gln,HA,,16579,4
+70,2JN_HA,,1,1,85,85,ARG,N,N,15,1,,1,1,85,85,ARG,HA,H,1,1,0.93,,,0.5,,,1,86,Arg,N,1,86,Arg,HA,,16579,4
+71,2JN_HA,,1,1,86,86,LYS,N,N,15,1,,1,1,86,86,LYS,HA,H,1,1,-0.09,,,0.5,,,1,87,Lys,N,1,87,Lys,HA,,16579,4
+72,2JN_HA,,1,1,87,87,VAL,N,N,15,1,,1,1,87,87,VAL,HA,H,1,1,0.68,,,0.5,,,1,88,Val,N,1,88,Val,HA,,16579,4
+73,2JN_HA,,1,1,88,88,ALA,N,N,15,1,,1,1,88,88,ALA,HA,H,1,1,0.16,,,0.5,,,1,89,Ala,N,1,89,Ala,HA,,16579,4
+74,2JN_HA,,1,1,89,89,CYS,N,N,15,1,,1,1,89,89,CYS,HA,H,1,1,0.28,,,0.5,,,1,90,Cys,N,1,90,Cys,HA,,16579,4
+75,2JN_HA,,1,1,90,90,PHE,N,N,15,1,,1,1,90,90,PHE,HA,H,1,1,-0.33,,,0.5,,,1,91,Phe,N,1,91,Phe,HA,,16579,4
+76,2JN_HA,,1,1,92,92,CYS,N,N,15,1,,1,1,92,92,CYS,HA,H,1,1,-0.19,,,0.5,,,1,93,Cys,N,1,93,Cys,HA,,16579,4
+77,2JN_HA,,1,1,94,94,ASP,N,N,15,1,,1,1,94,94,ASP,HA,H,1,1,0.76,,,0.5,,,1,95,Asp,N,1,95,Asp,HA,,16579,4
+78,2JN_HA,,1,1,95,95,SER,N,N,15,1,,1,1,95,95,SER,HA,H,1,1,-0.52,,,0.5,,,1,96,Ser,N,1,96,Ser,HA,,16579,4
+79,2JN_HA,,1,1,96,96,SER,N,N,15,1,,1,1,96,96,SER,HA,H,1,1,0.07,,,0.5,,,1,97,Ser,N,1,97,Ser,HA,,16579,4
+80,2JN_HA,,1,1,97,97,TYR,N,N,15,1,,1,1,97,97,TYR,HA,H,1,1,0.03,,,0.5,,,1,98,Tyr,N,1,98,Tyr,HA,,16579,4
+81,2JN_HA,,1,1,98,98,GLU,N,N,15,1,,1,1,98,98,GLU,HA,H,1,1,0.83,,,0.5,,,1,99,Glu,N,1,99,Glu,HA,,16579,4
+82,2JN_HA,,1,1,99,99,TYR,N,N,15,1,,1,1,99,99,TYR,HA,H,1,1,0.69,,,0.5,,,1,100,Tyr,N,1,100,Tyr,HA,,16579,4
+83,2JN_HA,,1,1,100,100,PHE,N,N,15,1,,1,1,100,100,PHE,HA,H,1,1,0.34,,,0.5,,,1,101,Phe,N,1,101,Phe,HA,,16579,4
+84,2JN_HA,,1,1,101,101,CYS,N,N,15,1,,1,1,101,101,CYS,HA,H,1,1,-0.1,,,0.5,,,1,102,Cys,N,1,102,Cys,HA,,16579,4
+85,2JN_HA,,1,1,103,103,ALA,N,N,15,1,,1,1,103,103,ALA,HA,H,1,1,-0.11,,,0.5,,,1,104,Ala,N,1,104,Ala,HA,,16579,4
+86,2JN_HA,,1,1,104,104,VAL,N,N,15,1,,1,1,104,104,VAL,HA,H,1,1,0.33,,,0.5,,,1,105,Val,N,1,105,Val,HA,,16579,4
+87,2JN_HA,,1,1,105,105,ASP,N,N,15,1,,1,1,105,105,ASP,HA,H,1,1,-0.05,,,0.5,,,1,106,Asp,N,1,106,Asp,HA,,16579,4
+88,2JN_HA,,1,1,106,106,ALA,N,N,15,1,,1,1,106,106,ALA,HA,H,1,1,0.24,,,0.5,,,1,107,Ala,N,1,107,Ala,HA,,16579,4
+89,2JN_HA,,1,1,107,107,ILE,N,N,15,1,,1,1,107,107,ILE,HA,H,1,1,0.52,,,0.5,,,1,108,Ile,N,1,108,Ile,HA,,16579,4
+90,2JN_HA,,1,1,108,108,GLU,N,N,15,1,,1,1,108,108,GLU,HA,H,1,1,-0.23,,,0.5,,,1,109,Glu,N,1,109,Glu,HA,,16579,4
+91,2JN_HA,,1,1,109,109,GLU,N,N,15,1,,1,1,109,109,GLU,HA,H,1,1,0.99,,,0.5,,,1,110,Glu,N,1,110,Glu,HA,,16579,4
+92,2JN_HA,,1,1,110,110,LYS,N,N,15,1,,1,1,110,110,LYS,HA,H,1,1,0.49,,,0.5,,,1,111,Lys,N,1,111,Lys,HA,,16579,4
+93,2JN_HA,,1,1,111,111,LEU,N,N,15,1,,1,1,111,111,LEU,HA,H,1,1,0.15,,,0.5,,,1,112,Leu,N,1,112,Leu,HA,,16579,4
+94,2JN_HA,,1,1,112,112,LYS,N,N,15,1,,1,1,112,112,LYS,HA,H,1,1,0.32,,,0.5,,,1,113,Lys,N,1,113,Lys,HA,,16579,4
+95,2JN_HA,,1,1,113,113,ASN,N,N,15,1,,1,1,113,113,ASN,HA,H,1,1,0.76,,,0.5,,,1,114,Asn,N,1,114,Asn,HA,,16579,4
+96,2JN_HA,,1,1,114,114,LEU,N,N,15,1,,1,1,114,114,LEU,HA,H,1,1,1.98,,,0.5,,,1,115,Leu,N,1,115,Leu,HA,,16579,4
+97,2JN_HA,,1,1,116,116,ALA,N,N,15,1,,1,1,116,116,ALA,HA,H,1,1,0.42,,,0.5,,,1,117,Ala,N,1,117,Ala,HA,,16579,4
+98,2JN_HA,,1,1,117,117,GLU,N,N,15,1,,1,1,117,117,GLU,HA,H,1,1,1.11,,,0.5,,,1,118,Glu,N,1,118,Glu,HA,,16579,4
+99,2JN_HA,,1,1,118,118,ILE,N,N,15,1,,1,1,118,118,ILE,HA,H,1,1,0.84,,,0.5,,,1,119,Ile,N,1,119,Ile,HA,,16579,4
+100,2JN_HA,,1,1,119,119,VAL,N,N,15,1,,1,1,119,119,VAL,HA,H,1,1,0.71,,,0.5,,,1,120,Val,N,1,120,Val,HA,,16579,4
+101,2JN_HA,,1,1,120,120,GLN,N,N,15,1,,1,1,120,120,GLN,HA,H,1,1,0.87,,,0.5,,,1,121,Gln,N,1,121,Gln,HA,,16579,4
+102,2JN_HA,,1,1,121,121,ASP,N,N,15,1,,1,1,121,121,ASP,HA,H,1,1,0.39,,,0.5,,,1,122,Asp,N,1,122,Asp,HA,,16579,4
+103,2JN_HA,,1,1,123,123,LEU,N,N,15,1,,1,1,123,123,LEU,HA,H,1,1,0.42,,,0.5,,,1,124,Leu,N,1,124,Leu,HA,,16579,4
+104,2JN_HA,,1,1,124,124,ARG,N,N,15,1,,1,1,124,124,ARG,HA,H,1,1,0.78,,,0.5,,,1,125,Arg,N,1,125,Arg,HA,,16579,4
+105,2JN_HA,,1,1,125,125,ILE,N,N,15,1,,1,1,125,125,ILE,HA,H,1,1,0.76,,,0.5,,,1,126,Ile,N,1,126,Ile,HA,,16579,4
+106,2JN_HA,,1,1,126,126,ASP,N,N,15,1,,1,1,126,126,ASP,HA,H,1,1,0.61,,,0.5,,,1,127,Asp,N,1,127,Asp,HA,,16579,4
+107,2JN_HA,,1,1,128,128,ASP,N,N,15,1,,1,1,128,128,ASP,HA,H,1,1,0.72,,,0.5,,,1,129,Asp,N,1,129,Asp,HA,,16579,4
+108,2JN_HA,,1,1,130,130,ARG,N,N,15,1,,1,1,130,130,ARG,HA,H,1,1,-0.03,,,0.5,,,1,131,Arg,N,1,131,Arg,HA,,16579,4
+109,2JN_HA,,1,1,131,131,ALA,N,N,15,1,,1,1,131,131,ALA,HA,H,1,1,0.36,,,0.5,,,1,132,Ala,N,1,132,Ala,HA,,16579,4
+110,2JN_HA,,1,1,132,132,ALA,N,N,15,1,,1,1,132,132,ALA,HA,H,1,1,0.84,,,0.5,,,1,133,Ala,N,1,133,Ala,HA,,16579,4
+111,2JN_HA,,1,1,133,133,ARG,N,N,15,1,,1,1,133,133,ARG,HA,H,1,1,0.58,,,0.5,,,1,134,Arg,N,1,134,Arg,HA,,16579,4
+112,2JN_HA,,1,1,134,134,ASP,N,N,15,1,,1,1,134,134,ASP,HA,H,1,1,0.3,,,0.5,,,1,135,Asp,N,1,135,Asp,HA,,16579,4
+113,2JN_HA,,1,1,135,135,ASP,N,N,15,1,,1,1,135,135,ASP,HA,H,1,1,0.34,,,0.5,,,1,136,Asp,N,1,136,Asp,HA,,16579,4
+114,2JN_HA,,1,1,136,136,ILE,N,N,15,1,,1,1,136,136,ILE,HA,H,1,1,0.83,,,0.5,,,1,137,Ile,N,1,137,Ile,HA,,16579,4
+115,2JN_HA,,1,1,137,137,VAL,N,N,15,1,,1,1,137,137,VAL,HA,H,1,1,0.57,,,0.5,,,1,138,Val,N,1,138,Val,HA,,16579,4
+116,2JN_HA,,1,1,139,139,TRP,N,N,15,1,,1,1,139,139,TRP,HA,H,1,1,0.59,,,0.5,,,1,140,Trp,N,1,140,Trp,HA,,16579,4
+117,2JN_HA,,1,1,140,140,ALA,N,N,15,1,,1,1,140,140,ALA,HA,H,1,1,0.03,,,0.5,,,1,141,Ala,N,1,141,Ala,HA,,16579,4
+118,2JN_HA,,1,1,141,141,HIS,N,N,15,1,,1,1,141,141,HIS,HA,H,1,1,0.3,,,0.5,,,1,142,His,N,1,142,His,HA,,16579,4
+119,2JN_HA,,1,1,142,142,ASP,N,N,15,1,,1,1,142,142,ASP,HA,H,1,1,0.42,,,0.5,,,1,143,Asp,N,1,143,Asp,HA,,16579,4
+120,2JN_HA,,1,1,143,143,VAL,N,N,15,1,,1,1,143,143,VAL,HA,H,1,1,0.89,,,0.5,,,1,144,Val,N,1,144,Val,HA,,16579,4
+121,2JN_HA,,1,1,144,144,ARG,N,N,15,1,,1,1,144,144,ARG,HA,H,1,1,0.22,,,0.5,,,1,145,Arg,N,1,145,Arg,HA,,16579,4
+122,2JN_HA,,1,1,146,146,ALA,N,N,15,1,,1,1,146,146,ALA,HA,H,1,1,0.85,,,0.5,,,1,147,Ala,N,1,147,Ala,HA,,16579,4
+123,2JN_HA,,1,1,147,147,ILE,N,N,15,1,,1,1,147,147,ILE,HA,H,1,1,0.83,,,0.5,,,1,148,Ile,N,1,148,Ile,HA,,16579,4

2J_coupling_fullset/experiments/16580_2JCOCa_loop0.csv

@@ -0,0 +1,92 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JCOCA,,1,1,2,2,CYS,C,C,13,1,,1,1,3,3,ASP,CA,C,13,1,-0.56,,,0.5,,,1,2,Cys,C,1,3,Asp,Ca,,16580,4
+2,2JCOCA,,1,1,3,3,ASP,C,C,13,1,,1,1,4,4,TYR,CA,C,13,1,-0.33,,,0.5,,,1,3,Asp,C,1,4,Tyr,Ca,,16580,4
+3,2JCOCA,,1,1,4,4,TYR,C,C,13,1,,1,1,5,5,THR,CA,C,13,1,-0.66,,,0.5,,,1,4,Tyr,C,1,5,Thr,Ca,,16580,4
+4,2JCOCA,,1,1,5,5,THR,C,C,13,1,,1,1,6,6,CYS,CA,C,13,1,-0.9,,,0.5,,,1,5,Thr,C,1,6,Cys,Ca,,16580,4
+5,2JCOCA,,1,1,6,6,CYS,C,C,13,1,,1,1,7,7,GLY,CA,C,13,1,-0.81,,,0.5,,,1,6,Cys,C,1,7,Gly,Ca,,16580,4
+6,2JCOCA,,1,1,7,7,GLY,C,C,13,1,,1,1,8,8,SER,CA,C,13,1,-0.71,,,0.5,,,1,7,Gly,C,1,8,Ser,Ca,,16580,4
+7,2JCOCA,,1,1,8,8,SER,C,C,13,1,,1,1,9,9,ASN,CA,C,13,1,-0.24,,,0.5,,,1,8,Ser,C,1,9,Asn,Ca,,16580,4
+8,2JCOCA,,1,1,9,9,ASN,C,C,13,1,,1,1,10,10,CYS,CA,C,13,1,-0.75,,,0.5,,,1,9,Asn,C,1,10,Cys,Ca,,16580,4
+9,2JCOCA,,1,1,10,10,CYS,C,C,13,1,,1,1,11,11,TYR,CA,C,13,1,-0.59,,,0.5,,,1,10,Cys,C,1,11,Tyr,Ca,,16580,4
+10,2JCOCA,,1,1,11,11,TYR,C,C,13,1,,1,1,12,12,SER,CA,C,13,1,-0.69,,,0.5,,,1,11,Tyr,C,1,12,Ser,Ca,,16580,4
+11,2JCOCA,,1,1,12,12,SER,C,C,13,1,,1,1,13,13,SER,CA,C,13,1,0.48,,,0.5,,,1,12,Ser,C,1,13,Ser,Ca,,16580,4
+12,2JCOCA,,1,1,13,13,SER,C,C,13,1,,1,1,14,14,SER,CA,C,13,1,0.24,,,0.5,,,1,13,Ser,C,1,14,Ser,Ca,,16580,4
+13,2JCOCA,,1,1,14,14,SER,C,C,13,1,,1,1,15,15,ASP,CA,C,13,1,-0.46,,,0.5,,,1,14,Ser,C,1,15,Asp,Ca,,16580,4
+14,2JCOCA,,1,1,15,15,ASP,C,C,13,1,,1,1,16,16,VAL,CA,C,13,1,-0.71,,,0.5,,,1,15,Asp,C,1,16,Val,Ca,,16580,4
+15,2JCOCA,,1,1,16,16,VAL,C,C,13,1,,1,1,17,17,SER,CA,C,13,1,0.24,,,0.5,,,1,16,Val,C,1,17,Ser,Ca,,16580,4
+16,2JCOCA,,1,1,17,17,SER,C,C,13,1,,1,1,18,18,THR,CA,C,13,1,-0.53,,,0.5,,,1,17,Ser,C,1,18,Thr,Ca,,16580,4
+17,2JCOCA,,1,1,18,18,THR,C,C,13,1,,1,1,19,19,ALA,CA,C,13,1,-0.54,,,0.5,,,1,18,Thr,C,1,19,Ala,Ca,,16580,4
+18,2JCOCA,,1,1,19,19,ALA,C,C,13,1,,1,1,20,20,GLN,CA,C,13,1,-0.64,,,0.5,,,1,19,Ala,C,1,20,Gln,Ca,,16580,4
+19,2JCOCA,,1,1,20,20,GLN,C,C,13,1,,1,1,21,21,ALA,CA,C,13,1,-0.43,,,0.5,,,1,20,Gln,C,1,21,Ala,Ca,,16580,4
+20,2JCOCA,,1,1,21,21,ALA,C,C,13,1,,1,1,22,22,ALA,CA,C,13,1,-0.7,,,0.5,,,1,21,Ala,C,1,22,Ala,Ca,,16580,4
+21,2JCOCA,,1,1,22,22,ALA,C,C,13,1,,1,1,23,23,GLY,CA,C,13,1,-0.61,,,0.5,,,1,22,Ala,C,1,23,Gly,Ca,,16580,4
+22,2JCOCA,,1,1,23,23,GLY,C,C,13,1,,1,1,24,24,TYR,CA,C,13,1,-0.24,,,0.5,,,1,23,Gly,C,1,24,Tyr,Ca,,16580,4
+23,2JCOCA,,1,1,24,24,TYR,C,C,13,1,,1,1,25,25,LYS,CA,C,13,1,-0.49,,,0.5,,,1,24,Tyr,C,1,25,Lys,Ca,,16580,4
+24,2JCOCA,,1,1,25,25,LYS,C,C,13,1,,1,1,26,26,LEU,CA,C,13,1,-0.22,,,0.5,,,1,25,Lys,C,1,26,Leu,Ca,,16580,4
+25,2JCOCA,,1,1,26,26,LEU,C,C,13,1,,1,1,27,27,HIS,CA,C,13,1,-0.51,,,0.5,,,1,26,Leu,C,1,27,His,Ca,,16580,4
+26,2JCOCA,,1,1,27,27,HIS,C,C,13,1,,1,1,28,28,GLU,CA,C,13,1,-0.53,,,0.5,,,1,27,His,C,1,28,Glu,Ca,,16580,4
+27,2JCOCA,,1,1,28,28,GLU,C,C,13,1,,1,1,29,29,ASP,CA,C,13,1,-0.69,,,0.5,,,1,28,Glu,C,1,29,Asp,Ca,,16580,4
+28,2JCOCA,,1,1,29,29,ASP,C,C,13,1,,1,1,30,30,GLY,CA,C,13,1,-0.63,,,0.5,,,1,29,Asp,C,1,30,Gly,Ca,,16580,4
+29,2JCOCA,,1,1,30,30,GLY,C,C,13,1,,1,1,31,31,GLU,CA,C,13,1,-0.48,,,0.5,,,1,30,Gly,C,1,31,Glu,Ca,,16580,4
+30,2JCOCA,,1,1,31,31,GLU,C,C,13,1,,1,1,32,32,THR,CA,C,13,1,-0.15,,,0.5,,,1,31,Glu,C,1,32,Thr,Ca,,16580,4
+31,2JCOCA,,1,1,32,32,THR,C,C,13,1,,1,1,33,33,VAL,CA,C,13,1,-0.41,,,0.5,,,1,32,Thr,C,1,33,Val,Ca,,16580,4
+32,2JCOCA,,1,1,33,33,VAL,C,C,13,1,,1,1,34,34,GLY,CA,C,13,1,-1.33,,,0.5,,,1,33,Val,C,1,34,Gly,Ca,,16580,4
+33,2JCOCA,,1,1,36,36,ASN,C,C,13,1,,1,1,37,37,SER,CA,C,13,1,-0.57,,,0.5,,,1,36,Asn,C,1,37,Ser,Ca,,16580,4
+34,2JCOCA,,1,1,37,37,SER,C,C,13,1,,1,1,38,38,TYR,CA,C,13,1,-0.47,,,0.5,,,1,37,Ser,C,1,38,Tyr,Ca,,16580,4
+35,2JCOCA,,1,1,39,39,PRO,C,C,13,1,,1,1,40,40,HIS,CA,C,13,1,0.03,,,0.5,,,1,39,Pro,C,1,40,His,Ca,,16580,4
+36,2JCOCA,,1,1,41,41,LYS,C,C,13,1,,1,1,42,42,TYR,CA,C,13,1,-0.63,,,0.5,,,1,41,Lys,C,1,42,Tyr,Ca,,16580,4
+37,2JCOCA,,1,1,42,42,TYR,C,C,13,1,,1,1,43,43,ASN,CA,C,13,1,0.13,,,0.5,,,1,42,Tyr,C,1,43,Asn,Ca,,16580,4
+38,2JCOCA,,1,1,43,43,ASN,C,C,13,1,,1,1,44,44,ASN,CA,C,13,1,-0.82,,,0.5,,,1,43,Asn,C,1,44,Asn,Ca,,16580,4
+39,2JCOCA,,1,1,44,44,ASN,C,C,13,1,,1,1,45,45,TYR,CA,C,13,1,-0.65,,,0.5,,,1,44,Asn,C,1,45,Tyr,Ca,,16580,4
+40,2JCOCA,,1,1,45,45,TYR,C,C,13,1,,1,1,46,46,GLU,CA,C,13,1,-0.43,,,0.5,,,1,45,Tyr,C,1,46,Glu,Ca,,16580,4
+41,2JCOCA,,1,1,46,46,GLU,C,C,13,1,,1,1,47,47,GLY,CA,C,13,1,-0.62,,,0.5,,,1,46,Glu,C,1,47,Gly,Ca,,16580,4
+42,2JCOCA,,1,1,47,47,GLY,C,C,13,1,,1,1,48,48,PHE,CA,C,13,1,-0.63,,,0.5,,,1,47,Gly,C,1,48,Phe,Ca,,16580,4
+43,2JCOCA,,1,1,48,48,PHE,C,C,13,1,,1,1,49,49,ASP,CA,C,13,1,-0.95,,,0.5,,,1,48,Phe,C,1,49,Asp,Ca,,16580,4
+44,2JCOCA,,1,1,49,49,ASP,C,C,13,1,,1,1,50,50,PHE,CA,C,13,1,-0.87,,,0.5,,,1,49,Asp,C,1,50,Phe,Ca,,16580,4
+45,2JCOCA,,1,1,50,50,PHE,C,C,13,1,,1,1,51,51,SER,CA,C,13,1,-1.03,,,0.5,,,1,50,Phe,C,1,51,Ser,Ca,,16580,4
+46,2JCOCA,,1,1,51,51,SER,C,C,13,1,,1,1,52,52,VAL,CA,C,13,1,-0.31,,,0.5,,,1,51,Ser,C,1,52,Val,Ca,,16580,4
+47,2JCOCA,,1,1,52,52,VAL,C,C,13,1,,1,1,53,53,SER,CA,C,13,1,-0.8,,,0.5,,,1,52,Val,C,1,53,Ser,Ca,,16580,4
+48,2JCOCA,,1,1,53,53,SER,C,C,13,1,,1,1,54,54,SER,CA,C,13,1,-1.0,,,0.5,,,1,53,Ser,C,1,54,Ser,Ca,,16580,4
+49,2JCOCA,,1,1,55,55,PRO,C,C,13,1,,1,1,56,56,TYR,CA,C,13,1,-0.29,,,0.5,,,1,55,Pro,C,1,56,Tyr,Ca,,16580,4
+50,2JCOCA,,1,1,56,56,TYR,C,C,13,1,,1,1,57,57,TYR,CA,C,13,1,-0.25,,,0.5,,,1,56,Tyr,C,1,57,Tyr,Ca,,16580,4
+51,2JCOCA,,1,1,57,57,TYR,C,C,13,1,,1,1,58,58,GLU,CA,C,13,1,-0.77,,,0.5,,,1,57,Tyr,C,1,58,Glu,Ca,,16580,4
+52,2JCOCA,,1,1,58,58,GLU,C,C,13,1,,1,1,59,59,TRP,CA,C,13,1,-0.52,,,0.5,,,1,58,Glu,C,1,59,Trp,Ca,,16580,4
+53,2JCOCA,,1,1,60,60,PRO,C,C,13,1,,1,1,61,61,ILE,CA,C,13,1,-0.26,,,0.5,,,1,60,Pro,C,1,61,Ile,Ca,,16580,4
+54,2JCOCA,,1,1,61,61,ILE,C,C,13,1,,1,1,62,62,LEU,CA,C,13,1,-0.7,,,0.5,,,1,61,Ile,C,1,62,Leu,Ca,,16580,4
+55,2JCOCA,,1,1,62,62,LEU,C,C,13,1,,1,1,63,63,SER,CA,C,13,1,-0.52,,,0.5,,,1,62,Leu,C,1,63,Ser,Ca,,16580,4
+56,2JCOCA,,1,1,63,63,SER,C,C,13,1,,1,1,64,64,SER,CA,C,13,1,-0.36,,,0.5,,,1,63,Ser,C,1,64,Ser,Ca,,16580,4
+57,2JCOCA,,1,1,64,64,SER,C,C,13,1,,1,1,65,65,GLY,CA,C,13,1,-0.74,,,0.5,,,1,64,Ser,C,1,65,Gly,Ca,,16580,4
+58,2JCOCA,,1,1,65,65,GLY,C,C,13,1,,1,1,66,66,ASP,CA,C,13,1,-0.44,,,0.5,,,1,65,Gly,C,1,66,Asp,Ca,,16580,4
+59,2JCOCA,,1,1,66,66,ASP,C,C,13,1,,1,1,67,67,VAL,CA,C,13,1,-0.86,,,0.5,,,1,66,Asp,C,1,67,Val,Ca,,16580,4
+60,2JCOCA,,1,1,67,67,VAL,C,C,13,1,,1,1,68,68,TYR,CA,C,13,1,-1.29,,,0.5,,,1,67,Val,C,1,68,Tyr,Ca,,16580,4
+61,2JCOCA,,1,1,68,68,TYR,C,C,13,1,,1,1,69,69,SER,CA,C,13,1,-0.67,,,0.5,,,1,68,Tyr,C,1,69,Ser,Ca,,16580,4
+62,2JCOCA,,1,1,73,73,PRO,C,C,13,1,,1,1,74,74,GLY,CA,C,13,1,-0.38,,,0.5,,,1,73,Pro,C,1,74,Gly,Ca,,16580,4
+63,2JCOCA,,1,1,74,74,GLY,C,C,13,1,,1,1,75,75,ALA,CA,C,13,1,-0.68,,,0.5,,,1,74,Gly,C,1,75,Ala,Ca,,16580,4
+64,2JCOCA,,1,1,75,75,ALA,C,C,13,1,,1,1,76,76,ASP,CA,C,13,1,-0.12,,,0.5,,,1,75,Ala,C,1,76,Asp,Ca,,16580,4
+65,2JCOCA,,1,1,76,76,ASP,C,C,13,1,,1,1,77,77,ARG,CA,C,13,1,-0.48,,,0.5,,,1,76,Asp,C,1,77,Arg,Ca,,16580,4
+66,2JCOCA,,1,1,77,77,ARG,C,C,13,1,,1,1,78,78,VAL,CA,C,13,1,-1.02,,,0.5,,,1,77,Arg,C,1,78,Val,Ca,,16580,4
+67,2JCOCA,,1,1,78,78,VAL,C,C,13,1,,1,1,79,79,VAL,CA,C,13,1,-0.88,,,0.5,,,1,78,Val,C,1,79,Val,Ca,,16580,4
+68,2JCOCA,,1,1,79,79,VAL,C,C,13,1,,1,1,80,80,PHE,CA,C,13,1,-0.23,,,0.5,,,1,79,Val,C,1,80,Phe,Ca,,16580,4
+69,2JCOCA,,1,1,80,80,PHE,C,C,13,1,,1,1,81,81,ASN,CA,C,13,1,-0.43,,,0.5,,,1,80,Phe,C,1,81,Asn,Ca,,16580,4
+70,2JCOCA,,1,1,81,81,ASN,C,C,13,1,,1,1,82,82,GLU,CA,C,13,1,-0.93,,,0.5,,,1,81,Asn,C,1,82,Glu,Ca,,16580,4
+71,2JCOCA,,1,1,82,82,GLU,C,C,13,1,,1,1,83,83,ASN,CA,C,13,1,-0.58,,,0.5,,,1,82,Glu,C,1,83,Asn,Ca,,16580,4
+72,2JCOCA,,1,1,83,83,ASN,C,C,13,1,,1,1,84,84,ASN,CA,C,13,1,-0.73,,,0.5,,,1,83,Asn,C,1,84,Asn,Ca,,16580,4
+73,2JCOCA,,1,1,84,84,ASN,C,C,13,1,,1,1,85,85,GLN,CA,C,13,1,-0.33,,,0.5,,,1,84,Asn,C,1,85,Gln,Ca,,16580,4
+74,2JCOCA,,1,1,85,85,GLN,C,C,13,1,,1,1,86,86,LEU,CA,C,13,1,-1.08,,,0.5,,,1,85,Gln,C,1,86,Leu,Ca,,16580,4
+75,2JCOCA,,1,1,86,86,LEU,C,C,13,1,,1,1,87,87,ALA,CA,C,13,1,-0.63,,,0.5,,,1,86,Leu,C,1,87,Ala,Ca,,16580,4
+76,2JCOCA,,1,1,87,87,ALA,C,C,13,1,,1,1,88,88,GLY,CA,C,13,1,-0.04,,,0.5,,,1,87,Ala,C,1,88,Gly,Ca,,16580,4
+77,2JCOCA,,1,1,88,88,GLY,C,C,13,1,,1,1,89,89,VAL,CA,C,13,1,-0.38,,,0.5,,,1,88,Gly,C,1,89,Val,Ca,,16580,4
+78,2JCOCA,,1,1,89,89,VAL,C,C,13,1,,1,1,90,90,ILE,CA,C,13,1,-0.56,,,0.5,,,1,89,Val,C,1,90,Ile,Ca,,16580,4
+79,2JCOCA,,1,1,90,90,ILE,C,C,13,1,,1,1,91,91,THR,CA,C,13,1,-0.08,,,0.5,,,1,90,Ile,C,1,91,Thr,Ca,,16580,4
+80,2JCOCA,,1,1,91,91,THR,C,C,13,1,,1,1,92,92,HIS,CA,C,13,1,-0.45,,,0.5,,,1,91,Thr,C,1,92,His,Ca,,16580,4
+81,2JCOCA,,1,1,92,92,HIS,C,C,13,1,,1,1,93,93,THR,CA,C,13,1,-0.58,,,0.5,,,1,92,His,C,1,93,Thr,Ca,,16580,4
+82,2JCOCA,,1,1,93,93,THR,C,C,13,1,,1,1,94,94,GLY,CA,C,13,1,-0.97,,,0.5,,,1,93,Thr,C,1,94,Gly,Ca,,16580,4
+83,2JCOCA,,1,1,94,94,GLY,C,C,13,1,,1,1,95,95,ALA,CA,C,13,1,-0.63,,,0.5,,,1,94,Gly,C,1,95,Ala,Ca,,16580,4
+84,2JCOCA,,1,1,95,95,ALA,C,C,13,1,,1,1,96,96,SER,CA,C,13,1,-0.24,,,0.5,,,1,95,Ala,C,1,96,Ser,Ca,,16580,4
+85,2JCOCA,,1,1,96,96,SER,C,C,13,1,,1,1,97,97,GLY,CA,C,13,1,-1.53,,,0.5,,,1,96,Ser,C,1,97,Gly,Ca,,16580,4
+86,2JCOCA,,1,1,98,98,ASN,C,C,13,1,,1,1,99,99,ASN,CA,C,13,1,-0.7,,,0.5,,,1,98,Asn,C,1,99,Asn,Ca,,16580,4
+87,2JCOCA,,1,1,99,99,ASN,C,C,13,1,,1,1,100,100,PHE,CA,C,13,1,-0.53,,,0.5,,,1,99,Asn,C,1,100,Phe,Ca,,16580,4
+88,2JCOCA,,1,1,100,100,PHE,C,C,13,1,,1,1,101,101,VAL,CA,C,13,1,-0.69,,,0.5,,,1,100,Phe,C,1,101,Val,Ca,,16580,4
+89,2JCOCA,,1,1,101,101,VAL,C,C,13,1,,1,1,102,102,GLU,CA,C,13,1,-0.95,,,0.5,,,1,101,Val,C,1,102,Glu,Ca,,16580,4
+90,2JCOCA,,1,1,102,102,GLU,C,C,13,1,,1,1,103,103,CYS,CA,C,13,1,-1.22,,,0.5,,,1,102,Glu,C,1,103,Cys,Ca,,16580,4
+91,2JCOCA,,1,1,103,103,CYS,C,C,13,1,,1,1,104,104,THR,CA,C,13,1,-0.91,,,0.5,,,1,103,Cys,C,1,104,Thr,Ca,,16580,4

2J_coupling_fullset/experiments/16580_2JCOHN_loop0.csv

@@ -0,0 +1,94 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JCOHN,,1,1,2,2,CYS,C,C,13,1,,1,1,3,3,ASP,H,H,1,1,3.93,,,0.5,,,1,2,Cys,C,1,3,Asp,HN,,16580,3
+2,2JCOHN,,1,1,3,3,ASP,C,C,13,1,,1,1,4,4,TYR,H,H,1,1,4.12,,,0.5,,,1,3,Asp,C,1,4,Tyr,HN,,16580,3
+3,2JCOHN,,1,1,4,4,TYR,C,C,13,1,,1,1,5,5,THR,H,H,1,1,4.39,,,0.5,,,1,4,Tyr,C,1,5,Thr,HN,,16580,3
+4,2JCOHN,,1,1,5,5,THR,C,C,13,1,,1,1,6,6,CYS,H,H,1,1,3.7,,,0.5,,,1,5,Thr,C,1,6,Cys,HN,,16580,3
+5,2JCOHN,,1,1,6,6,CYS,C,C,13,1,,1,1,7,7,GLY,H,H,1,1,4.96,,,0.5,,,1,6,Cys,C,1,7,Gly,HN,,16580,3
+6,2JCOHN,,1,1,7,7,GLY,C,C,13,1,,1,1,8,8,SER,H,H,1,1,3.77,,,0.5,,,1,7,Gly,C,1,8,Ser,HN,,16580,3
+7,2JCOHN,,1,1,8,8,SER,C,C,13,1,,1,1,9,9,ASN,H,H,1,1,4.11,,,0.5,,,1,8,Ser,C,1,9,Asn,HN,,16580,3
+8,2JCOHN,,1,1,9,9,ASN,C,C,13,1,,1,1,10,10,CYS,H,H,1,1,4.14,,,0.5,,,1,9,Asn,C,1,10,Cys,HN,,16580,3
+9,2JCOHN,,1,1,10,10,CYS,C,C,13,1,,1,1,11,11,TYR,H,H,1,1,4.3,,,0.5,,,1,10,Cys,C,1,11,Tyr,HN,,16580,3
+10,2JCOHN,,1,1,11,11,TYR,C,C,13,1,,1,1,12,12,SER,H,H,1,1,3.98,,,0.5,,,1,11,Tyr,C,1,12,Ser,HN,,16580,3
+11,2JCOHN,,1,1,12,12,SER,C,C,13,1,,1,1,13,13,SER,H,H,1,1,3.72,,,0.5,,,1,12,Ser,C,1,13,Ser,HN,,16580,3
+12,2JCOHN,,1,1,13,13,SER,C,C,13,1,,1,1,14,14,SER,H,H,1,1,3.95,,,0.5,,,1,13,Ser,C,1,14,Ser,HN,,16580,3
+13,2JCOHN,,1,1,14,14,SER,C,C,13,1,,1,1,15,15,ASP,H,H,1,1,4.16,,,0.5,,,1,14,Ser,C,1,15,Asp,HN,,16580,3
+14,2JCOHN,,1,1,15,15,ASP,C,C,13,1,,1,1,16,16,VAL,H,H,1,1,3.89,,,0.5,,,1,15,Asp,C,1,16,Val,HN,,16580,3
+15,2JCOHN,,1,1,16,16,VAL,C,C,13,1,,1,1,17,17,SER,H,H,1,1,4.22,,,0.5,,,1,16,Val,C,1,17,Ser,HN,,16580,3
+16,2JCOHN,,1,1,17,17,SER,C,C,13,1,,1,1,18,18,THR,H,H,1,1,3.99,,,0.5,,,1,17,Ser,C,1,18,Thr,HN,,16580,3
+17,2JCOHN,,1,1,18,18,THR,C,C,13,1,,1,1,19,19,ALA,H,H,1,1,4.56,,,0.5,,,1,18,Thr,C,1,19,Ala,HN,,16580,3
+18,2JCOHN,,1,1,19,19,ALA,C,C,13,1,,1,1,20,20,GLN,H,H,1,1,4.16,,,0.5,,,1,19,Ala,C,1,20,Gln,HN,,16580,3
+19,2JCOHN,,1,1,20,20,GLN,C,C,13,1,,1,1,21,21,ALA,H,H,1,1,4.28,,,0.5,,,1,20,Gln,C,1,21,Ala,HN,,16580,3
+20,2JCOHN,,1,1,21,21,ALA,C,C,13,1,,1,1,22,22,ALA,H,H,1,1,4.59,,,0.5,,,1,21,Ala,C,1,22,Ala,HN,,16580,3
+21,2JCOHN,,1,1,22,22,ALA,C,C,13,1,,1,1,23,23,GLY,H,H,1,1,4.7,,,0.5,,,1,22,Ala,C,1,23,Gly,HN,,16580,3
+22,2JCOHN,,1,1,23,23,GLY,C,C,13,1,,1,1,24,24,TYR,H,H,1,1,4.4,,,0.5,,,1,23,Gly,C,1,24,Tyr,HN,,16580,3
+23,2JCOHN,,1,1,24,24,TYR,C,C,13,1,,1,1,25,25,LYS,H,H,1,1,4.52,,,0.5,,,1,24,Tyr,C,1,25,Lys,HN,,16580,3
+24,2JCOHN,,1,1,25,25,LYS,C,C,13,1,,1,1,26,26,LEU,H,H,1,1,4.38,,,0.5,,,1,25,Lys,C,1,26,Leu,HN,,16580,3
+25,2JCOHN,,1,1,26,26,LEU,C,C,13,1,,1,1,27,27,HIS,H,H,1,1,3.93,,,0.5,,,1,26,Leu,C,1,27,His,HN,,16580,3
+26,2JCOHN,,1,1,27,27,HIS,C,C,13,1,,1,1,28,28,GLU,H,H,1,1,4.02,,,0.5,,,1,27,His,C,1,28,Glu,HN,,16580,3
+27,2JCOHN,,1,1,28,28,GLU,C,C,13,1,,1,1,29,29,ASP,H,H,1,1,4.12,,,0.5,,,1,28,Glu,C,1,29,Asp,HN,,16580,3
+28,2JCOHN,,1,1,29,29,ASP,C,C,13,1,,1,1,30,30,GLY,H,H,1,1,4.52,,,0.5,,,1,29,Asp,C,1,30,Gly,HN,,16580,3
+29,2JCOHN,,1,1,30,30,GLY,C,C,13,1,,1,1,31,31,GLU,H,H,1,1,4.0,,,0.5,,,1,30,Gly,C,1,31,Glu,HN,,16580,3
+30,2JCOHN,,1,1,31,31,GLU,C,C,13,1,,1,1,32,32,THR,H,H,1,1,4.22,,,0.5,,,1,31,Glu,C,1,32,Thr,HN,,16580,3
+31,2JCOHN,,1,1,32,32,THR,C,C,13,1,,1,1,33,33,VAL,H,H,1,1,3.85,,,0.5,,,1,32,Thr,C,1,33,Val,HN,,16580,3
+32,2JCOHN,,1,1,33,33,VAL,C,C,13,1,,1,1,34,34,GLY,H,H,1,1,4.36,,,0.5,,,1,33,Val,C,1,34,Gly,HN,,16580,3
+33,2JCOHN,,1,1,35,35,SER,C,C,13,1,,1,1,36,36,ASN,H,H,1,1,3.53,,,0.5,,,1,35,Ser,C,1,36,Asn,HN,,16580,3
+34,2JCOHN,,1,1,36,36,ASN,C,C,13,1,,1,1,37,37,SER,H,H,1,1,4.33,,,0.5,,,1,36,Asn,C,1,37,Ser,HN,,16580,3
+35,2JCOHN,,1,1,37,37,SER,C,C,13,1,,1,1,38,38,TYR,H,H,1,1,3.95,,,0.5,,,1,37,Ser,C,1,38,Tyr,HN,,16580,3
+36,2JCOHN,,1,1,39,39,PRO,C,C,13,1,,1,1,40,40,HIS,H,H,1,1,4.57,,,0.5,,,1,39,Pro,C,1,40,His,HN,,16580,3
+37,2JCOHN,,1,1,40,40,HIS,C,C,13,1,,1,1,41,41,LYS,H,H,1,1,4.08,,,0.5,,,1,40,His,C,1,41,Lys,HN,,16580,3
+38,2JCOHN,,1,1,41,41,LYS,C,C,13,1,,1,1,42,42,TYR,H,H,1,1,3.73,,,0.5,,,1,41,Lys,C,1,42,Tyr,HN,,16580,3
+39,2JCOHN,,1,1,42,42,TYR,C,C,13,1,,1,1,43,43,ASN,H,H,1,1,4.14,,,0.5,,,1,42,Tyr,C,1,43,Asn,HN,,16580,3
+40,2JCOHN,,1,1,43,43,ASN,C,C,13,1,,1,1,44,44,ASN,H,H,1,1,4.39,,,0.5,,,1,43,Asn,C,1,44,Asn,HN,,16580,3
+41,2JCOHN,,1,1,44,44,ASN,C,C,13,1,,1,1,45,45,TYR,H,H,1,1,4.1,,,0.5,,,1,44,Asn,C,1,45,Tyr,HN,,16580,3
+42,2JCOHN,,1,1,45,45,TYR,C,C,13,1,,1,1,46,46,GLU,H,H,1,1,4.45,,,0.5,,,1,45,Tyr,C,1,46,Glu,HN,,16580,3
+43,2JCOHN,,1,1,46,46,GLU,C,C,13,1,,1,1,47,47,GLY,H,H,1,1,4.77,,,0.5,,,1,46,Glu,C,1,47,Gly,HN,,16580,3
+44,2JCOHN,,1,1,47,47,GLY,C,C,13,1,,1,1,48,48,PHE,H,H,1,1,3.9,,,0.5,,,1,47,Gly,C,1,48,Phe,HN,,16580,3
+45,2JCOHN,,1,1,48,48,PHE,C,C,13,1,,1,1,49,49,ASP,H,H,1,1,4.32,,,0.5,,,1,48,Phe,C,1,49,Asp,HN,,16580,3
+46,2JCOHN,,1,1,49,49,ASP,C,C,13,1,,1,1,50,50,PHE,H,H,1,1,3.51,,,0.5,,,1,49,Asp,C,1,50,Phe,HN,,16580,3
+47,2JCOHN,,1,1,50,50,PHE,C,C,13,1,,1,1,51,51,SER,H,H,1,1,3.99,,,0.5,,,1,50,Phe,C,1,51,Ser,HN,,16580,3
+48,2JCOHN,,1,1,51,51,SER,C,C,13,1,,1,1,52,52,VAL,H,H,1,1,3.37,,,0.5,,,1,51,Ser,C,1,52,Val,HN,,16580,3
+49,2JCOHN,,1,1,52,52,VAL,C,C,13,1,,1,1,53,53,SER,H,H,1,1,3.87,,,0.5,,,1,52,Val,C,1,53,Ser,HN,,16580,3
+50,2JCOHN,,1,1,53,53,SER,C,C,13,1,,1,1,54,54,SER,H,H,1,1,3.21,,,0.5,,,1,53,Ser,C,1,54,Ser,HN,,16580,3
+51,2JCOHN,,1,1,55,55,PRO,C,C,13,1,,1,1,56,56,TYR,H,H,1,1,4.26,,,0.5,,,1,55,Pro,C,1,56,Tyr,HN,,16580,3
+52,2JCOHN,,1,1,56,56,TYR,C,C,13,1,,1,1,57,57,TYR,H,H,1,1,3.88,,,0.5,,,1,56,Tyr,C,1,57,Tyr,HN,,16580,3
+53,2JCOHN,,1,1,57,57,TYR,C,C,13,1,,1,1,58,58,GLU,H,H,1,1,3.75,,,0.5,,,1,57,Tyr,C,1,58,Glu,HN,,16580,3
+54,2JCOHN,,1,1,58,58,GLU,C,C,13,1,,1,1,59,59,TRP,H,H,1,1,4.17,,,0.5,,,1,58,Glu,C,1,59,Trp,HN,,16580,3
+55,2JCOHN,,1,1,60,60,PRO,C,C,13,1,,1,1,61,61,ILE,H,H,1,1,3.88,,,0.5,,,1,60,Pro,C,1,61,Ile,HN,,16580,3
+56,2JCOHN,,1,1,61,61,ILE,C,C,13,1,,1,1,62,62,LEU,H,H,1,1,4.21,,,0.5,,,1,61,Ile,C,1,62,Leu,HN,,16580,3
+57,2JCOHN,,1,1,62,62,LEU,C,C,13,1,,1,1,63,63,SER,H,H,1,1,3.68,,,0.5,,,1,62,Leu,C,1,63,Ser,HN,,16580,3
+58,2JCOHN,,1,1,63,63,SER,C,C,13,1,,1,1,64,64,SER,H,H,1,1,3.93,,,0.5,,,1,63,Ser,C,1,64,Ser,HN,,16580,3
+59,2JCOHN,,1,1,64,64,SER,C,C,13,1,,1,1,65,65,GLY,H,H,1,1,4.34,,,0.5,,,1,64,Ser,C,1,65,Gly,HN,,16580,3
+60,2JCOHN,,1,1,65,65,GLY,C,C,13,1,,1,1,66,66,ASP,H,H,1,1,3.89,,,0.5,,,1,65,Gly,C,1,66,Asp,HN,,16580,3
+61,2JCOHN,,1,1,66,66,ASP,C,C,13,1,,1,1,67,67,VAL,H,H,1,1,3.99,,,0.5,,,1,66,Asp,C,1,67,Val,HN,,16580,3
+62,2JCOHN,,1,1,67,67,VAL,C,C,13,1,,1,1,68,68,TYR,H,H,1,1,4.2,,,0.5,,,1,67,Val,C,1,68,Tyr,HN,,16580,3
+63,2JCOHN,,1,1,68,68,TYR,C,C,13,1,,1,1,69,69,SER,H,H,1,1,3.49,,,0.5,,,1,68,Tyr,C,1,69,Ser,HN,,16580,3
+64,2JCOHN,,1,1,73,73,PRO,C,C,13,1,,1,1,74,74,GLY,H,H,1,1,4.87,,,0.5,,,1,73,Pro,C,1,74,Gly,HN,,16580,3
+65,2JCOHN,,1,1,74,74,GLY,C,C,13,1,,1,1,75,75,ALA,H,H,1,1,3.76,,,0.5,,,1,74,Gly,C,1,75,Ala,HN,,16580,3
+66,2JCOHN,,1,1,75,75,ALA,C,C,13,1,,1,1,76,76,ASP,H,H,1,1,4.65,,,0.5,,,1,75,Ala,C,1,76,Asp,HN,,16580,3
+67,2JCOHN,,1,1,76,76,ASP,C,C,13,1,,1,1,77,77,ARG,H,H,1,1,4.28,,,0.5,,,1,76,Asp,C,1,77,Arg,HN,,16580,3
+68,2JCOHN,,1,1,77,77,ARG,C,C,13,1,,1,1,78,78,VAL,H,H,1,1,2.91,,,0.5,,,1,77,Arg,C,1,78,Val,HN,,16580,3
+69,2JCOHN,,1,1,78,78,VAL,C,C,13,1,,1,1,79,79,VAL,H,H,1,1,4.71,,,0.5,,,1,78,Val,C,1,79,Val,HN,,16580,3
+70,2JCOHN,,1,1,79,79,VAL,C,C,13,1,,1,1,80,80,PHE,H,H,1,1,3.93,,,0.5,,,1,79,Val,C,1,80,Phe,HN,,16580,3
+71,2JCOHN,,1,1,80,80,PHE,C,C,13,1,,1,1,81,81,ASN,H,H,1,1,4.51,,,0.5,,,1,80,Phe,C,1,81,Asn,HN,,16580,3
+72,2JCOHN,,1,1,81,81,ASN,C,C,13,1,,1,1,82,82,GLU,H,H,1,1,4.22,,,0.5,,,1,81,Asn,C,1,82,Glu,HN,,16580,3
+73,2JCOHN,,1,1,82,82,GLU,C,C,13,1,,1,1,83,83,ASN,H,H,1,1,3.98,,,0.5,,,1,82,Glu,C,1,83,Asn,HN,,16580,3
+74,2JCOHN,,1,1,83,83,ASN,C,C,13,1,,1,1,84,84,ASN,H,H,1,1,4.88,,,0.5,,,1,83,Asn,C,1,84,Asn,HN,,16580,3
+75,2JCOHN,,1,1,84,84,ASN,C,C,13,1,,1,1,85,85,GLN,H,H,1,1,4.61,,,0.5,,,1,84,Asn,C,1,85,Gln,HN,,16580,3
+76,2JCOHN,,1,1,85,85,GLN,C,C,13,1,,1,1,86,86,LEU,H,H,1,1,4.49,,,0.5,,,1,85,Gln,C,1,86,Leu,HN,,16580,3
+77,2JCOHN,,1,1,86,86,LEU,C,C,13,1,,1,1,87,87,ALA,H,H,1,1,4.11,,,0.5,,,1,86,Leu,C,1,87,Ala,HN,,16580,3
+78,2JCOHN,,1,1,87,87,ALA,C,C,13,1,,1,1,88,88,GLY,H,H,1,1,4.69,,,0.5,,,1,87,Ala,C,1,88,Gly,HN,,16580,3
+79,2JCOHN,,1,1,88,88,GLY,C,C,13,1,,1,1,89,89,VAL,H,H,1,1,4.24,,,0.5,,,1,88,Gly,C,1,89,Val,HN,,16580,3
+80,2JCOHN,,1,1,89,89,VAL,C,C,13,1,,1,1,90,90,ILE,H,H,1,1,3.91,,,0.5,,,1,89,Val,C,1,90,Ile,HN,,16580,3
+81,2JCOHN,,1,1,90,90,ILE,C,C,13,1,,1,1,91,91,THR,H,H,1,1,3.97,,,0.5,,,1,90,Ile,C,1,91,Thr,HN,,16580,3
+82,2JCOHN,,1,1,91,91,THR,C,C,13,1,,1,1,92,92,HIS,H,H,1,1,3.51,,,0.5,,,1,91,Thr,C,1,92,His,HN,,16580,3
+83,2JCOHN,,1,1,92,92,HIS,C,C,13,1,,1,1,93,93,THR,H,H,1,1,4.57,,,0.5,,,1,92,His,C,1,93,Thr,HN,,16580,3
+84,2JCOHN,,1,1,93,93,THR,C,C,13,1,,1,1,94,94,GLY,H,H,1,1,4.57,,,0.5,,,1,93,Thr,C,1,94,Gly,HN,,16580,3
+85,2JCOHN,,1,1,94,94,GLY,C,C,13,1,,1,1,95,95,ALA,H,H,1,1,4.21,,,0.5,,,1,94,Gly,C,1,95,Ala,HN,,16580,3
+86,2JCOHN,,1,1,95,95,ALA,C,C,13,1,,1,1,96,96,SER,H,H,1,1,4.2,,,0.5,,,1,95,Ala,C,1,96,Ser,HN,,16580,3
+87,2JCOHN,,1,1,96,96,SER,C,C,13,1,,1,1,97,97,GLY,H,H,1,1,4.59,,,0.5,,,1,96,Ser,C,1,97,Gly,HN,,16580,3
+88,2JCOHN,,1,1,98,98,ASN,C,C,13,1,,1,1,99,99,ASN,H,H,1,1,3.85,,,0.5,,,1,98,Asn,C,1,99,Asn,HN,,16580,3
+89,2JCOHN,,1,1,99,99,ASN,C,C,13,1,,1,1,100,100,PHE,H,H,1,1,3.81,,,0.5,,,1,99,Asn,C,1,100,Phe,HN,,16580,3
+90,2JCOHN,,1,1,100,100,PHE,C,C,13,1,,1,1,101,101,VAL,H,H,1,1,3.64,,,0.5,,,1,100,Phe,C,1,101,Val,HN,,16580,3
+91,2JCOHN,,1,1,101,101,VAL,C,C,13,1,,1,1,102,102,GLU,H,H,1,1,4.24,,,0.5,,,1,101,Val,C,1,102,Glu,HN,,16580,3
+92,2JCOHN,,1,1,102,102,GLU,C,C,13,1,,1,1,103,103,CYS,H,H,1,1,4.11,,,0.5,,,1,102,Glu,C,1,103,Cys,HN,,16580,3
+93,2JCOHN,,1,1,103,103,CYS,C,C,13,1,,1,1,104,104,THR,H,H,1,1,3.98,,,0.5,,,1,103,Cys,C,1,104,Thr,HN,,16580,3

2J_coupling_fullset/experiments/16580_2JCaN__loop0.csv

@@ -0,0 +1,96 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JCAN_,,1,1,1,1,ALA,CA,C,13,1,,1,1,2,2,CYS,N,N,15,1,-8.26,,,0.5,,,1,1,Ala,Ca,1,2,Cys,N,,16580,1
+2,2JCAN_,,1,1,2,2,CYS,CA,C,13,1,,1,1,3,3,ASP,N,N,15,1,-7.71,,,0.5,,,1,2,Cys,Ca,1,3,Asp,N,,16580,1
+3,2JCAN_,,1,1,3,3,ASP,CA,C,13,1,,1,1,4,4,TYR,N,N,15,1,-6.43,,,0.5,,,1,3,Asp,Ca,1,4,Tyr,N,,16580,1
+4,2JCAN_,,1,1,4,4,TYR,CA,C,13,1,,1,1,5,5,THR,N,N,15,1,-8.88,,,0.5,,,1,4,Tyr,Ca,1,5,Thr,N,,16580,1
+5,2JCAN_,,1,1,5,5,THR,CA,C,13,1,,1,1,6,6,CYS,N,N,15,1,-7.69,,,0.5,,,1,5,Thr,Ca,1,6,Cys,N,,16580,1
+6,2JCAN_,,1,1,6,6,CYS,CA,C,13,1,,1,1,7,7,GLY,N,N,15,1,-7.95,,,0.5,,,1,6,Cys,Ca,1,7,Gly,N,,16580,1
+7,2JCAN_,,1,1,7,7,GLY,CA,C,13,1,,1,1,8,8,SER,N,N,15,1,-8.51,,,0.5,,,1,7,Gly,Ca,1,8,Ser,N,,16580,1
+8,2JCAN_,,1,1,8,8,SER,CA,C,13,1,,1,1,9,9,ASN,N,N,15,1,-5.75,,,0.5,,,1,8,Ser,Ca,1,9,Asn,N,,16580,1
+9,2JCAN_,,1,1,9,9,ASN,CA,C,13,1,,1,1,10,10,CYS,N,N,15,1,-9.68,,,0.5,,,1,9,Asn,Ca,1,10,Cys,N,,16580,1
+10,2JCAN_,,1,1,10,10,CYS,CA,C,13,1,,1,1,11,11,TYR,N,N,15,1,-8.32,,,0.5,,,1,10,Cys,Ca,1,11,Tyr,N,,16580,1
+11,2JCAN_,,1,1,11,11,TYR,CA,C,13,1,,1,1,12,12,SER,N,N,15,1,-8.72,,,0.5,,,1,11,Tyr,Ca,1,12,Ser,N,,16580,1
+12,2JCAN_,,1,1,12,12,SER,CA,C,13,1,,1,1,13,13,SER,N,N,15,1,-8.2,,,0.5,,,1,12,Ser,Ca,1,13,Ser,N,,16580,1
+13,2JCAN_,,1,1,13,13,SER,CA,C,13,1,,1,1,14,14,SER,N,N,15,1,-4.5,,,0.5,,,1,13,Ser,Ca,1,14,Ser,N,,16580,1
+14,2JCAN_,,1,1,14,14,SER,CA,C,13,1,,1,1,15,15,ASP,N,N,15,1,-4.76,,,0.5,,,1,14,Ser,Ca,1,15,Asp,N,,16580,1
+15,2JCAN_,,1,1,15,15,ASP,CA,C,13,1,,1,1,16,16,VAL,N,N,15,1,-5.83,,,0.5,,,1,15,Asp,Ca,1,16,Val,N,,16580,1
+16,2JCAN_,,1,1,16,16,VAL,CA,C,13,1,,1,1,17,17,SER,N,N,15,1,-6.08,,,0.5,,,1,16,Val,Ca,1,17,Ser,N,,16580,1
+17,2JCAN_,,1,1,17,17,SER,CA,C,13,1,,1,1,18,18,THR,N,N,15,1,-4.85,,,0.5,,,1,17,Ser,Ca,1,18,Thr,N,,16580,1
+18,2JCAN_,,1,1,18,18,THR,CA,C,13,1,,1,1,19,19,ALA,N,N,15,1,-5.29,,,0.5,,,1,18,Thr,Ca,1,19,Ala,N,,16580,1
+19,2JCAN_,,1,1,19,19,ALA,CA,C,13,1,,1,1,20,20,GLN,N,N,15,1,-6.56,,,0.5,,,1,19,Ala,Ca,1,20,Gln,N,,16580,1
+20,2JCAN_,,1,1,20,20,GLN,CA,C,13,1,,1,1,21,21,ALA,N,N,15,1,-6.24,,,0.5,,,1,20,Gln,Ca,1,21,Ala,N,,16580,1
+21,2JCAN_,,1,1,21,21,ALA,CA,C,13,1,,1,1,22,22,ALA,N,N,15,1,-5.86,,,0.5,,,1,21,Ala,Ca,1,22,Ala,N,,16580,1
+22,2JCAN_,,1,1,22,22,ALA,CA,C,13,1,,1,1,23,23,GLY,N,N,15,1,-6.56,,,0.5,,,1,22,Ala,Ca,1,23,Gly,N,,16580,1
+23,2JCAN_,,1,1,23,23,GLY,CA,C,13,1,,1,1,24,24,TYR,N,N,15,1,-6.47,,,0.5,,,1,23,Gly,Ca,1,24,Tyr,N,,16580,1
+24,2JCAN_,,1,1,24,24,TYR,CA,C,13,1,,1,1,25,25,LYS,N,N,15,1,-5.94,,,0.5,,,1,24,Tyr,Ca,1,25,Lys,N,,16580,1
+25,2JCAN_,,1,1,25,25,LYS,CA,C,13,1,,1,1,26,26,LEU,N,N,15,1,-6.0,,,0.5,,,1,25,Lys,Ca,1,26,Leu,N,,16580,1
+26,2JCAN_,,1,1,26,26,LEU,CA,C,13,1,,1,1,27,27,HIS,N,N,15,1,-6.3,,,0.5,,,1,26,Leu,Ca,1,27,His,N,,16580,1
+27,2JCAN_,,1,1,27,27,HIS,CA,C,13,1,,1,1,28,28,GLU,N,N,15,1,-6.24,,,0.5,,,1,27,His,Ca,1,28,Glu,N,,16580,1
+28,2JCAN_,,1,1,28,28,GLU,CA,C,13,1,,1,1,29,29,ASP,N,N,15,1,-5.88,,,0.5,,,1,28,Glu,Ca,1,29,Asp,N,,16580,1
+29,2JCAN_,,1,1,29,29,ASP,CA,C,13,1,,1,1,30,30,GLY,N,N,15,1,-6.11,,,0.5,,,1,29,Asp,Ca,1,30,Gly,N,,16580,1
+30,2JCAN_,,1,1,30,30,GLY,CA,C,13,1,,1,1,31,31,GLU,N,N,15,1,-6.17,,,0.5,,,1,30,Gly,Ca,1,31,Glu,N,,16580,1
+31,2JCAN_,,1,1,31,31,GLU,CA,C,13,1,,1,1,32,32,THR,N,N,15,1,-9.39,,,0.5,,,1,31,Glu,Ca,1,32,Thr,N,,16580,1
+32,2JCAN_,,1,1,32,32,THR,CA,C,13,1,,1,1,33,33,VAL,N,N,15,1,-8.27,,,0.5,,,1,32,Thr,Ca,1,33,Val,N,,16580,1
+33,2JCAN_,,1,1,33,33,VAL,CA,C,13,1,,1,1,34,34,GLY,N,N,15,1,-9.05,,,0.5,,,1,33,Val,Ca,1,34,Gly,N,,16580,1
+34,2JCAN_,,1,1,36,36,ASN,CA,C,13,1,,1,1,37,37,SER,N,N,15,1,-6.64,,,0.5,,,1,36,Asn,Ca,1,37,Ser,N,,16580,1
+35,2JCAN_,,1,1,37,37,SER,CA,C,13,1,,1,1,38,38,TYR,N,N,15,1,-6.76,,,0.5,,,1,37,Ser,Ca,1,38,Tyr,N,,16580,1
+36,2JCAN_,,1,1,39,39,PRO,CA,C,13,1,,1,1,40,40,HIS,N,N,15,1,-9.58,,,0.5,,,1,39,Pro,Ca,1,40,His,N,,16580,1
+37,2JCAN_,,1,1,40,40,HIS,CA,C,13,1,,1,1,41,41,LYS,N,N,15,1,-8.3,,,0.5,,,1,40,His,Ca,1,41,Lys,N,,16580,1
+38,2JCAN_,,1,1,41,41,LYS,CA,C,13,1,,1,1,42,42,TYR,N,N,15,1,-8.72,,,0.5,,,1,41,Lys,Ca,1,42,Tyr,N,,16580,1
+39,2JCAN_,,1,1,42,42,TYR,CA,C,13,1,,1,1,43,43,ASN,N,N,15,1,-8.34,,,0.5,,,1,42,Tyr,Ca,1,43,Asn,N,,16580,1
+40,2JCAN_,,1,1,43,43,ASN,CA,C,13,1,,1,1,44,44,ASN,N,N,15,1,-6.69,,,0.5,,,1,43,Asn,Ca,1,44,Asn,N,,16580,1
+41,2JCAN_,,1,1,44,44,ASN,CA,C,13,1,,1,1,45,45,TYR,N,N,15,1,-6.31,,,0.5,,,1,44,Asn,Ca,1,45,Tyr,N,,16580,1
+42,2JCAN_,,1,1,45,45,TYR,CA,C,13,1,,1,1,46,46,GLU,N,N,15,1,-5.68,,,0.5,,,1,45,Tyr,Ca,1,46,Glu,N,,16580,1
+43,2JCAN_,,1,1,46,46,GLU,CA,C,13,1,,1,1,47,47,GLY,N,N,15,1,-6.0,,,0.5,,,1,46,Glu,Ca,1,47,Gly,N,,16580,1
+44,2JCAN_,,1,1,47,47,GLY,CA,C,13,1,,1,1,48,48,PHE,N,N,15,1,-5.8,,,0.5,,,1,47,Gly,Ca,1,48,Phe,N,,16580,1
+45,2JCAN_,,1,1,48,48,PHE,CA,C,13,1,,1,1,49,49,ASP,N,N,15,1,-8.53,,,0.5,,,1,48,Phe,Ca,1,49,Asp,N,,16580,1
+46,2JCAN_,,1,1,49,49,ASP,CA,C,13,1,,1,1,50,50,PHE,N,N,15,1,-7.3,,,0.5,,,1,49,Asp,Ca,1,50,Phe,N,,16580,1
+47,2JCAN_,,1,1,50,50,PHE,CA,C,13,1,,1,1,51,51,SER,N,N,15,1,-8.76,,,0.5,,,1,50,Phe,Ca,1,51,Ser,N,,16580,1
+48,2JCAN_,,1,1,51,51,SER,CA,C,13,1,,1,1,52,52,VAL,N,N,15,1,-5.65,,,0.5,,,1,51,Ser,Ca,1,52,Val,N,,16580,1
+49,2JCAN_,,1,1,52,52,VAL,CA,C,13,1,,1,1,53,53,SER,N,N,15,1,-8.19,,,0.5,,,1,52,Val,Ca,1,53,Ser,N,,16580,1
+50,2JCAN_,,1,1,53,53,SER,CA,C,13,1,,1,1,54,54,SER,N,N,15,1,-9.09,,,0.5,,,1,53,Ser,Ca,1,54,Ser,N,,16580,1
+51,2JCAN_,,1,1,55,55,PRO,CA,C,13,1,,1,1,56,56,TYR,N,N,15,1,-9.88,,,0.5,,,1,55,Pro,Ca,1,56,Tyr,N,,16580,1
+52,2JCAN_,,1,1,56,56,TYR,CA,C,13,1,,1,1,57,57,TYR,N,N,15,1,-8.52,,,0.5,,,1,56,Tyr,Ca,1,57,Tyr,N,,16580,1
+53,2JCAN_,,1,1,57,57,TYR,CA,C,13,1,,1,1,58,58,GLU,N,N,15,1,-9.02,,,0.5,,,1,57,Tyr,Ca,1,58,Glu,N,,16580,1
+54,2JCAN_,,1,1,58,58,GLU,CA,C,13,1,,1,1,59,59,TRP,N,N,15,1,-9.39,,,0.5,,,1,58,Glu,Ca,1,59,Trp,N,,16580,1
+55,2JCAN_,,1,1,60,60,PRO,CA,C,13,1,,1,1,61,61,ILE,N,N,15,1,-9.68,,,0.5,,,1,60,Pro,Ca,1,61,Ile,N,,16580,1
+56,2JCAN_,,1,1,61,61,ILE,CA,C,13,1,,1,1,62,62,LEU,N,N,15,1,-7.79,,,0.5,,,1,61,Ile,Ca,1,62,Leu,N,,16580,1
+57,2JCAN_,,1,1,62,62,LEU,CA,C,13,1,,1,1,63,63,SER,N,N,15,1,-8.55,,,0.5,,,1,62,Leu,Ca,1,63,Ser,N,,16580,1
+58,2JCAN_,,1,1,63,63,SER,CA,C,13,1,,1,1,64,64,SER,N,N,15,1,-5.19,,,0.5,,,1,63,Ser,Ca,1,64,Ser,N,,16580,1
+59,2JCAN_,,1,1,64,64,SER,CA,C,13,1,,1,1,65,65,GLY,N,N,15,1,-5.8,,,0.5,,,1,64,Ser,Ca,1,65,Gly,N,,16580,1
+60,2JCAN_,,1,1,65,65,GLY,CA,C,13,1,,1,1,66,66,ASP,N,N,15,1,-5.79,,,0.5,,,1,65,Gly,Ca,1,66,Asp,N,,16580,1
+61,2JCAN_,,1,1,66,66,ASP,CA,C,13,1,,1,1,67,67,VAL,N,N,15,1,-8.8,,,0.5,,,1,66,Asp,Ca,1,67,Val,N,,16580,1
+62,2JCAN_,,1,1,67,67,VAL,CA,C,13,1,,1,1,68,68,TYR,N,N,15,1,-8.02,,,0.5,,,1,67,Val,Ca,1,68,Tyr,N,,16580,1
+63,2JCAN_,,1,1,68,68,TYR,CA,C,13,1,,1,1,69,69,SER,N,N,15,1,-9.12,,,0.5,,,1,68,Tyr,Ca,1,69,Ser,N,,16580,1
+64,2JCAN_,,1,1,70,70,GLY,CA,C,13,1,,1,1,71,71,GLY,N,N,15,1,-8.56,,,0.5,,,1,70,Gly,Ca,1,71,Gly,N,,16580,1
+65,2JCAN_,,1,1,73,73,PRO,CA,C,13,1,,1,1,74,74,GLY,N,N,15,1,-6.38,,,0.5,,,1,73,Pro,Ca,1,74,Gly,N,,16580,1
+66,2JCAN_,,1,1,74,74,GLY,CA,C,13,1,,1,1,75,75,ALA,N,N,15,1,-8.4,,,0.5,,,1,74,Gly,Ca,1,75,Ala,N,,16580,1
+67,2JCAN_,,1,1,75,75,ALA,CA,C,13,1,,1,1,76,76,ASP,N,N,15,1,-6.27,,,0.5,,,1,75,Ala,Ca,1,76,Asp,N,,16580,1
+68,2JCAN_,,1,1,76,76,ASP,CA,C,13,1,,1,1,77,77,ARG,N,N,15,1,-8.84,,,0.5,,,1,76,Asp,Ca,1,77,Arg,N,,16580,1
+69,2JCAN_,,1,1,77,77,ARG,CA,C,13,1,,1,1,78,78,VAL,N,N,15,1,-8.77,,,0.5,,,1,77,Arg,Ca,1,78,Val,N,,16580,1
+70,2JCAN_,,1,1,78,78,VAL,CA,C,13,1,,1,1,79,79,VAL,N,N,15,1,-8.68,,,0.5,,,1,78,Val,Ca,1,79,Val,N,,16580,1
+71,2JCAN_,,1,1,79,79,VAL,CA,C,13,1,,1,1,80,80,PHE,N,N,15,1,-7.76,,,0.5,,,1,79,Val,Ca,1,80,Phe,N,,16580,1
+72,2JCAN_,,1,1,80,80,PHE,CA,C,13,1,,1,1,81,81,ASN,N,N,15,1,-8.4,,,0.5,,,1,80,Phe,Ca,1,81,Asn,N,,16580,1
+73,2JCAN_,,1,1,81,81,ASN,CA,C,13,1,,1,1,82,82,GLU,N,N,15,1,-8.87,,,0.5,,,1,81,Asn,Ca,1,82,Glu,N,,16580,1
+74,2JCAN_,,1,1,82,82,GLU,CA,C,13,1,,1,1,83,83,ASN,N,N,15,1,-6.08,,,0.5,,,1,82,Glu,Ca,1,83,Asn,N,,16580,1
+75,2JCAN_,,1,1,83,83,ASN,CA,C,13,1,,1,1,84,84,ASN,N,N,15,1,-6.65,,,0.5,,,1,83,Asn,Ca,1,84,Asn,N,,16580,1
+76,2JCAN_,,1,1,84,84,ASN,CA,C,13,1,,1,1,85,85,GLN,N,N,15,1,-6.6,,,0.5,,,1,84,Asn,Ca,1,85,Gln,N,,16580,1
+77,2JCAN_,,1,1,85,85,GLN,CA,C,13,1,,1,1,86,86,LEU,N,N,15,1,-8.89,,,0.5,,,1,85,Gln,Ca,1,86,Leu,N,,16580,1
+78,2JCAN_,,1,1,86,86,LEU,CA,C,13,1,,1,1,87,87,ALA,N,N,15,1,-7.96,,,0.5,,,1,86,Leu,Ca,1,87,Ala,N,,16580,1
+79,2JCAN_,,1,1,87,87,ALA,CA,C,13,1,,1,1,88,88,GLY,N,N,15,1,-6.56,,,0.5,,,1,87,Ala,Ca,1,88,Gly,N,,16580,1
+80,2JCAN_,,1,1,88,88,GLY,CA,C,13,1,,1,1,89,89,VAL,N,N,15,1,-9.64,,,0.5,,,1,88,Gly,Ca,1,89,Val,N,,16580,1
+81,2JCAN_,,1,1,89,89,VAL,CA,C,13,1,,1,1,90,90,ILE,N,N,15,1,-8.07,,,0.5,,,1,89,Val,Ca,1,90,Ile,N,,16580,1
+82,2JCAN_,,1,1,90,90,ILE,CA,C,13,1,,1,1,91,91,THR,N,N,15,1,-8.75,,,0.5,,,1,90,Ile,Ca,1,91,Thr,N,,16580,1
+83,2JCAN_,,1,1,91,91,THR,CA,C,13,1,,1,1,92,92,HIS,N,N,15,1,-7.49,,,0.5,,,1,91,Thr,Ca,1,92,His,N,,16580,1
+84,2JCAN_,,1,1,92,92,HIS,CA,C,13,1,,1,1,93,93,THR,N,N,15,1,-6.47,,,0.5,,,1,92,His,Ca,1,93,Thr,N,,16580,1
+85,2JCAN_,,1,1,93,93,THR,CA,C,13,1,,1,1,94,94,GLY,N,N,15,1,-8.62,,,0.5,,,1,93,Thr,Ca,1,94,Gly,N,,16580,1
+86,2JCAN_,,1,1,94,94,GLY,CA,C,13,1,,1,1,95,95,ALA,N,N,15,1,-5.92,,,0.5,,,1,94,Gly,Ca,1,95,Ala,N,,16580,1
+87,2JCAN_,,1,1,95,95,ALA,CA,C,13,1,,1,1,96,96,SER,N,N,15,1,-8.8,,,0.5,,,1,95,Ala,Ca,1,96,Ser,N,,16580,1
+88,2JCAN_,,1,1,96,96,SER,CA,C,13,1,,1,1,97,97,GLY,N,N,15,1,-8.22,,,0.5,,,1,96,Ser,Ca,1,97,Gly,N,,16580,1
+89,2JCAN_,,1,1,97,97,GLY,CA,C,13,1,,1,1,98,98,ASN,N,N,15,1,-9.54,,,0.5,,,1,97,Gly,Ca,1,98,Asn,N,,16580,1
+90,2JCAN_,,1,1,98,98,ASN,CA,C,13,1,,1,1,99,99,ASN,N,N,15,1,-6.56,,,0.5,,,1,98,Asn,Ca,1,99,Asn,N,,16580,1
+91,2JCAN_,,1,1,99,99,ASN,CA,C,13,1,,1,1,100,100,PHE,N,N,15,1,-8.34,,,0.5,,,1,99,Asn,Ca,1,100,Phe,N,,16580,1
+92,2JCAN_,,1,1,100,100,PHE,CA,C,13,1,,1,1,101,101,VAL,N,N,15,1,-8.95,,,0.5,,,1,100,Phe,Ca,1,101,Val,N,,16580,1
+93,2JCAN_,,1,1,101,101,VAL,CA,C,13,1,,1,1,102,102,GLU,N,N,15,1,-7.59,,,0.5,,,1,101,Val,Ca,1,102,Glu,N,,16580,1
+94,2JCAN_,,1,1,102,102,GLU,CA,C,13,1,,1,1,103,103,CYS,N,N,15,1,-7.92,,,0.5,,,1,102,Glu,Ca,1,103,Cys,N,,16580,1
+95,2JCAN_,,1,1,103,103,CYS,CA,C,13,1,,1,1,104,104,THR,N,N,15,1,-8.61,,,0.5,,,1,103,Cys,Ca,1,104,Thr,N,,16580,1

2J_coupling_fullset/experiments/16580_2JCbCO_loop0.csv

@@ -0,0 +1,69 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JCBCO,,1,1,2,2,CYS,CB,C,13,1,,1,1,2,2,CYS,C,C,13,1,0.32,,,0.5,,,1,2,Cys,Cb,1,2,Cys,C,,16580,7
+2,2JCBCO,,1,1,3,3,ASP,CB,C,13,1,,1,1,3,3,ASP,C,C,13,1,-0.33,,,0.5,,,1,3,Asp,Cb,1,3,Asp,C,,16580,7
+3,2JCBCO,,1,1,4,4,TYR,CB,C,13,1,,1,1,4,4,TYR,C,C,13,1,-0.23,,,0.5,,,1,4,Tyr,Cb,1,4,Tyr,C,,16580,7
+4,2JCBCO,,1,1,6,6,CYS,CB,C,13,1,,1,1,6,6,CYS,C,C,13,1,1.39,,,0.5,,,1,6,Cys,Cb,1,6,Cys,C,,16580,7
+5,2JCBCO,,1,1,9,9,ASN,CB,C,13,1,,1,1,9,9,ASN,C,C,13,1,0.4,,,0.5,,,1,9,Asn,Cb,1,9,Asn,C,,16580,7
+6,2JCBCO,,1,1,10,10,CYS,CB,C,13,1,,1,1,10,10,CYS,C,C,13,1,-0.43,,,0.5,,,1,10,Cys,Cb,1,10,Cys,C,,16580,7
+7,2JCBCO,,1,1,11,11,TYR,CB,C,13,1,,1,1,11,11,TYR,C,C,13,1,0.23,,,0.5,,,1,11,Tyr,Cb,1,11,Tyr,C,,16580,7
+8,2JCBCO,,1,1,15,15,ASP,CB,C,13,1,,1,1,15,15,ASP,C,C,13,1,-0.55,,,0.5,,,1,15,Asp,Cb,1,15,Asp,C,,16580,7
+9,2JCBCO,,1,1,16,16,VAL,CB,C,13,1,,1,1,16,16,VAL,C,C,13,1,-0.65,,,0.5,,,1,16,Val,Cb,1,16,Val,C,,16580,7
+10,2JCBCO,,1,1,19,19,ALA,CB,C,13,1,,1,1,19,19,ALA,C,C,13,1,-1.0,,,0.5,,,1,19,Ala,Cb,1,19,Ala,C,,16580,7
+11,2JCBCO,,1,1,20,20,GLN,CB,C,13,1,,1,1,20,20,GLN,C,C,13,1,-1.57,,,0.5,,,1,20,Gln,Cb,1,20,Gln,C,,16580,7
+12,2JCBCO,,1,1,21,21,ALA,CB,C,13,1,,1,1,21,21,ALA,C,C,13,1,-1.52,,,0.5,,,1,21,Ala,Cb,1,21,Ala,C,,16580,7
+13,2JCBCO,,1,1,22,22,ALA,CB,C,13,1,,1,1,22,22,ALA,C,C,13,1,-1.24,,,0.5,,,1,22,Ala,Cb,1,22,Ala,C,,16580,7
+14,2JCBCO,,1,1,24,24,TYR,CB,C,13,1,,1,1,24,24,TYR,C,C,13,1,-1.36,,,0.5,,,1,24,Tyr,Cb,1,24,Tyr,C,,16580,7
+15,2JCBCO,,1,1,25,25,LYS,CB,C,13,1,,1,1,25,25,LYS,C,C,13,1,-1.29,,,0.5,,,1,25,Lys,Cb,1,25,Lys,C,,16580,7
+16,2JCBCO,,1,1,26,26,LEU,CB,C,13,1,,1,1,26,26,LEU,C,C,13,1,-0.75,,,0.5,,,1,26,Leu,Cb,1,26,Leu,C,,16580,7
+17,2JCBCO,,1,1,27,27,HIS,CB,C,13,1,,1,1,27,27,HIS,C,C,13,1,-1.03,,,0.5,,,1,27,His,Cb,1,27,His,C,,16580,7
+18,2JCBCO,,1,1,28,28,GLU,CB,C,13,1,,1,1,28,28,GLU,C,C,13,1,-0.93,,,0.5,,,1,28,Glu,Cb,1,28,Glu,C,,16580,7
+19,2JCBCO,,1,1,29,29,ASP,CB,C,13,1,,1,1,29,29,ASP,C,C,13,1,-0.12,,,0.5,,,1,29,Asp,Cb,1,29,Asp,C,,16580,7
+20,2JCBCO,,1,1,31,31,GLU,CB,C,13,1,,1,1,31,31,GLU,C,C,13,1,0.51,,,0.5,,,1,31,Glu,Cb,1,31,Glu,C,,16580,7
+21,2JCBCO,,1,1,33,33,VAL,CB,C,13,1,,1,1,33,33,VAL,C,C,13,1,0.06,,,0.5,,,1,33,Val,Cb,1,33,Val,C,,16580,7
+22,2JCBCO,,1,1,36,36,ASN,CB,C,13,1,,1,1,36,36,ASN,C,C,13,1,0.2,,,0.5,,,1,36,Asn,Cb,1,36,Asn,C,,16580,7
+23,2JCBCO,,1,1,39,39,PRO,CB,C,13,1,,1,1,39,39,PRO,C,C,13,1,-1.37,,,0.5,,,1,39,Pro,Cb,1,39,Pro,C,,16580,7
+24,2JCBCO,,1,1,40,40,HIS,CB,C,13,1,,1,1,40,40,HIS,C,C,13,1,-0.06,,,0.5,,,1,40,His,Cb,1,40,His,C,,16580,7
+25,2JCBCO,,1,1,41,41,LYS,CB,C,13,1,,1,1,41,41,LYS,C,C,13,1,-1.45,,,0.5,,,1,41,Lys,Cb,1,41,Lys,C,,16580,7
+26,2JCBCO,,1,1,42,42,TYR,CB,C,13,1,,1,1,42,42,TYR,C,C,13,1,-0.31,,,0.5,,,1,42,Tyr,Cb,1,42,Tyr,C,,16580,7
+27,2JCBCO,,1,1,43,43,ASN,CB,C,13,1,,1,1,43,43,ASN,C,C,13,1,-1.02,,,0.5,,,1,43,Asn,Cb,1,43,Asn,C,,16580,7
+28,2JCBCO,,1,1,44,44,ASN,CB,C,13,1,,1,1,44,44,ASN,C,C,13,1,-0.53,,,0.5,,,1,44,Asn,Cb,1,44,Asn,C,,16580,7
+29,2JCBCO,,1,1,45,45,TYR,CB,C,13,1,,1,1,45,45,TYR,C,C,13,1,-0.48,,,0.5,,,1,45,Tyr,Cb,1,45,Tyr,C,,16580,7
+30,2JCBCO,,1,1,46,46,GLU,CB,C,13,1,,1,1,46,46,GLU,C,C,13,1,-0.45,,,0.5,,,1,46,Glu,Cb,1,46,Glu,C,,16580,7
+31,2JCBCO,,1,1,48,48,PHE,CB,C,13,1,,1,1,48,48,PHE,C,C,13,1,-0.39,,,0.5,,,1,48,Phe,Cb,1,48,Phe,C,,16580,7
+32,2JCBCO,,1,1,49,49,ASP,CB,C,13,1,,1,1,49,49,ASP,C,C,13,1,-0.44,,,0.5,,,1,49,Asp,Cb,1,49,Asp,C,,16580,7
+33,2JCBCO,,1,1,50,50,PHE,CB,C,13,1,,1,1,50,50,PHE,C,C,13,1,-0.27,,,0.5,,,1,50,Phe,Cb,1,50,Phe,C,,16580,7
+34,2JCBCO,,1,1,52,52,VAL,CB,C,13,1,,1,1,52,52,VAL,C,C,13,1,-0.21,,,0.5,,,1,52,Val,Cb,1,52,Val,C,,16580,7
+35,2JCBCO,,1,1,55,55,PRO,CB,C,13,1,,1,1,55,55,PRO,C,C,13,1,-1.2,,,0.5,,,1,55,Pro,Cb,1,55,Pro,C,,16580,7
+36,2JCBCO,,1,1,56,56,TYR,CB,C,13,1,,1,1,56,56,TYR,C,C,13,1,0.23,,,0.5,,,1,56,Tyr,Cb,1,56,Tyr,C,,16580,7
+37,2JCBCO,,1,1,57,57,TYR,CB,C,13,1,,1,1,57,57,TYR,C,C,13,1,0.04,,,0.5,,,1,57,Tyr,Cb,1,57,Tyr,C,,16580,7
+38,2JCBCO,,1,1,58,58,GLU,CB,C,13,1,,1,1,58,58,GLU,C,C,13,1,-0.39,,,0.5,,,1,58,Glu,Cb,1,58,Glu,C,,16580,7
+39,2JCBCO,,1,1,60,60,PRO,CB,C,13,1,,1,1,60,60,PRO,C,C,13,1,-0.95,,,0.5,,,1,60,Pro,Cb,1,60,Pro,C,,16580,7
+40,2JCBCO,,1,1,61,61,ILE,CB,C,13,1,,1,1,61,61,ILE,C,C,13,1,-0.42,,,0.5,,,1,61,Ile,Cb,1,61,Ile,C,,16580,7
+41,2JCBCO,,1,1,62,62,LEU,CB,C,13,1,,1,1,62,62,LEU,C,C,13,1,-0.25,,,0.5,,,1,62,Leu,Cb,1,62,Leu,C,,16580,7
+42,2JCBCO,,1,1,66,66,ASP,CB,C,13,1,,1,1,66,66,ASP,C,C,13,1,-0.39,,,0.5,,,1,66,Asp,Cb,1,66,Asp,C,,16580,7
+43,2JCBCO,,1,1,67,67,VAL,CB,C,13,1,,1,1,67,67,VAL,C,C,13,1,-0.54,,,0.5,,,1,67,Val,Cb,1,67,Val,C,,16580,7
+44,2JCBCO,,1,1,68,68,TYR,CB,C,13,1,,1,1,68,68,TYR,C,C,13,1,-1.24,,,0.5,,,1,68,Tyr,Cb,1,68,Tyr,C,,16580,7
+45,2JCBCO,,1,1,73,73,PRO,CB,C,13,1,,1,1,73,73,PRO,C,C,13,1,-1.11,,,0.5,,,1,73,Pro,Cb,1,73,Pro,C,,16580,7
+46,2JCBCO,,1,1,75,75,ALA,CB,C,13,1,,1,1,75,75,ALA,C,C,13,1,-1.15,,,0.5,,,1,75,Ala,Cb,1,75,Ala,C,,16580,7
+47,2JCBCO,,1,1,76,76,ASP,CB,C,13,1,,1,1,76,76,ASP,C,C,13,1,0.52,,,0.5,,,1,76,Asp,Cb,1,76,Asp,C,,16580,7
+48,2JCBCO,,1,1,77,77,ARG,CB,C,13,1,,1,1,77,77,ARG,C,C,13,1,-0.19,,,0.5,,,1,77,Arg,Cb,1,77,Arg,C,,16580,7
+49,2JCBCO,,1,1,78,78,VAL,CB,C,13,1,,1,1,78,78,VAL,C,C,13,1,-0.06,,,0.5,,,1,78,Val,Cb,1,78,Val,C,,16580,7
+50,2JCBCO,,1,1,79,79,VAL,CB,C,13,1,,1,1,79,79,VAL,C,C,13,1,0.02,,,0.5,,,1,79,Val,Cb,1,79,Val,C,,16580,7
+51,2JCBCO,,1,1,80,80,PHE,CB,C,13,1,,1,1,80,80,PHE,C,C,13,1,-0.45,,,0.5,,,1,80,Phe,Cb,1,80,Phe,C,,16580,7
+52,2JCBCO,,1,1,81,81,ASN,CB,C,13,1,,1,1,81,81,ASN,C,C,13,1,-0.07,,,0.5,,,1,81,Asn,Cb,1,81,Asn,C,,16580,7
+53,2JCBCO,,1,1,82,82,GLU,CB,C,13,1,,1,1,82,82,GLU,C,C,13,1,-1.14,,,0.5,,,1,82,Glu,Cb,1,82,Glu,C,,16580,7
+54,2JCBCO,,1,1,83,83,ASN,CB,C,13,1,,1,1,83,83,ASN,C,C,13,1,0.59,,,0.5,,,1,83,Asn,Cb,1,83,Asn,C,,16580,7
+55,2JCBCO,,1,1,84,84,ASN,CB,C,13,1,,1,1,84,84,ASN,C,C,13,1,-0.22,,,0.5,,,1,84,Asn,Cb,1,84,Asn,C,,16580,7
+56,2JCBCO,,1,1,85,85,GLN,CB,C,13,1,,1,1,85,85,GLN,C,C,13,1,0.15,,,0.5,,,1,85,Gln,Cb,1,85,Gln,C,,16580,7
+57,2JCBCO,,1,1,86,86,LEU,CB,C,13,1,,1,1,86,86,LEU,C,C,13,1,-1.01,,,0.5,,,1,86,Leu,Cb,1,86,Leu,C,,16580,7
+58,2JCBCO,,1,1,87,87,ALA,CB,C,13,1,,1,1,87,87,ALA,C,C,13,1,0.09,,,0.5,,,1,87,Ala,Cb,1,87,Ala,C,,16580,7
+59,2JCBCO,,1,1,89,89,VAL,CB,C,13,1,,1,1,89,89,VAL,C,C,13,1,-0.2,,,0.5,,,1,89,Val,Cb,1,89,Val,C,,16580,7
+60,2JCBCO,,1,1,90,90,ILE,CB,C,13,1,,1,1,90,90,ILE,C,C,13,1,0.13,,,0.5,,,1,90,Ile,Cb,1,90,Ile,C,,16580,7
+61,2JCBCO,,1,1,92,92,HIS,CB,C,13,1,,1,1,92,92,HIS,C,C,13,1,0.16,,,0.5,,,1,92,His,Cb,1,92,His,C,,16580,7
+62,2JCBCO,,1,1,95,95,ALA,CB,C,13,1,,1,1,95,95,ALA,C,C,13,1,-0.37,,,0.5,,,1,95,Ala,Cb,1,95,Ala,C,,16580,7
+63,2JCBCO,,1,1,98,98,ASN,CB,C,13,1,,1,1,98,98,ASN,C,C,13,1,0.07,,,0.5,,,1,98,Asn,Cb,1,98,Asn,C,,16580,7
+64,2JCBCO,,1,1,99,99,ASN,CB,C,13,1,,1,1,99,99,ASN,C,C,13,1,0.03,,,0.5,,,1,99,Asn,Cb,1,99,Asn,C,,16580,7
+65,2JCBCO,,1,1,100,100,PHE,CB,C,13,1,,1,1,100,100,PHE,C,C,13,1,0.08,,,0.5,,,1,100,Phe,Cb,1,100,Phe,C,,16580,7
+66,2JCBCO,,1,1,101,101,VAL,CB,C,13,1,,1,1,101,101,VAL,C,C,13,1,0.01,,,0.5,,,1,101,Val,Cb,1,101,Val,C,,16580,7
+67,2JCBCO,,1,1,102,102,GLU,CB,C,13,1,,1,1,102,102,GLU,C,C,13,1,-0.66,,,0.5,,,1,102,Glu,Cb,1,102,Glu,C,,16580,7
+68,2JCBCO,,1,1,103,103,CYS,CB,C,13,1,,1,1,103,103,CYS,C,C,13,1,0.3,,,0.5,,,1,103,Cys,Cb,1,103,Cys,C,,16580,7

2J_coupling_fullset/experiments/16580_2JHNCa_loop0.csv

@@ -0,0 +1,93 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JHNCA,,1,1,3,3,ASP,H,H,1,1,,1,1,3,3,ASP,CA,C,13,1,2.05,,,0.5,,,1,3,Asp,HN,1,3,Asp,Ca,,16580,2
+2,2JHNCA,,1,1,4,4,TYR,H,H,1,1,,1,1,4,4,TYR,CA,C,13,1,0.91,,,0.5,,,1,4,Tyr,HN,1,4,Tyr,Ca,,16580,2
+3,2JHNCA,,1,1,5,5,THR,H,H,1,1,,1,1,5,5,THR,CA,C,13,1,1.49,,,0.5,,,1,5,Thr,HN,1,5,Thr,Ca,,16580,2
+4,2JHNCA,,1,1,6,6,CYS,H,H,1,1,,1,1,6,6,CYS,CA,C,13,1,2.27,,,0.5,,,1,6,Cys,HN,1,6,Cys,Ca,,16580,2
+5,2JHNCA,,1,1,7,7,GLY,H,H,1,1,,1,1,7,7,GLY,CA,C,13,1,2.35,,,0.5,,,1,7,Gly,HN,1,7,Gly,Ca,,16580,2
+6,2JHNCA,,1,1,8,8,SER,H,H,1,1,,1,1,8,8,SER,CA,C,13,1,2.28,,,0.5,,,1,8,Ser,HN,1,8,Ser,Ca,,16580,2
+7,2JHNCA,,1,1,9,9,ASN,H,H,1,1,,1,1,9,9,ASN,CA,C,13,1,1.13,,,0.5,,,1,9,Asn,HN,1,9,Asn,Ca,,16580,2
+8,2JHNCA,,1,1,10,10,CYS,H,H,1,1,,1,1,10,10,CYS,CA,C,13,1,1.54,,,0.5,,,1,10,Cys,HN,1,10,Cys,Ca,,16580,2
+9,2JHNCA,,1,1,11,11,TYR,H,H,1,1,,1,1,11,11,TYR,CA,C,13,1,1.27,,,0.5,,,1,11,Tyr,HN,1,11,Tyr,Ca,,16580,2
+10,2JHNCA,,1,1,12,12,SER,H,H,1,1,,1,1,12,12,SER,CA,C,13,1,1.57,,,0.5,,,1,12,Ser,HN,1,12,Ser,Ca,,16580,2
+11,2JHNCA,,1,1,13,13,SER,H,H,1,1,,1,1,13,13,SER,CA,C,13,1,3.12,,,0.5,,,1,13,Ser,HN,1,13,Ser,Ca,,16580,2
+12,2JHNCA,,1,1,14,14,SER,H,H,1,1,,1,1,14,14,SER,CA,C,13,1,2.92,,,0.5,,,1,14,Ser,HN,1,14,Ser,Ca,,16580,2
+13,2JHNCA,,1,1,15,15,ASP,H,H,1,1,,1,1,15,15,ASP,CA,C,13,1,2.32,,,0.5,,,1,15,Asp,HN,1,15,Asp,Ca,,16580,2
+14,2JHNCA,,1,1,16,16,VAL,H,H,1,1,,1,1,16,16,VAL,CA,C,13,1,2.33,,,0.5,,,1,16,Val,HN,1,16,Val,Ca,,16580,2
+15,2JHNCA,,1,1,17,17,SER,H,H,1,1,,1,1,17,17,SER,CA,C,13,1,2.9,,,0.5,,,1,17,Ser,HN,1,17,Ser,Ca,,16580,2
+16,2JHNCA,,1,1,18,18,THR,H,H,1,1,,1,1,18,18,THR,CA,C,13,1,2.61,,,0.5,,,1,18,Thr,HN,1,18,Thr,Ca,,16580,2
+17,2JHNCA,,1,1,19,19,ALA,H,H,1,1,,1,1,19,19,ALA,CA,C,13,1,2.26,,,0.5,,,1,19,Ala,HN,1,19,Ala,Ca,,16580,2
+18,2JHNCA,,1,1,20,20,GLN,H,H,1,1,,1,1,20,20,GLN,CA,C,13,1,2.58,,,0.5,,,1,20,Gln,HN,1,20,Gln,Ca,,16580,2
+19,2JHNCA,,1,1,21,21,ALA,H,H,1,1,,1,1,21,21,ALA,CA,C,13,1,3.08,,,0.5,,,1,21,Ala,HN,1,21,Ala,Ca,,16580,2
+20,2JHNCA,,1,1,22,22,ALA,H,H,1,1,,1,1,22,22,ALA,CA,C,13,1,2.18,,,0.5,,,1,22,Ala,HN,1,22,Ala,Ca,,16580,2
+21,2JHNCA,,1,1,23,23,GLY,H,H,1,1,,1,1,23,23,GLY,CA,C,13,1,2.05,,,0.5,,,1,23,Gly,HN,1,23,Gly,Ca,,16580,2
+22,2JHNCA,,1,1,24,24,TYR,H,H,1,1,,1,1,24,24,TYR,CA,C,13,1,3.01,,,0.5,,,1,24,Tyr,HN,1,24,Tyr,Ca,,16580,2
+23,2JHNCA,,1,1,25,25,LYS,H,H,1,1,,1,1,25,25,LYS,CA,C,13,1,2.59,,,0.5,,,1,25,Lys,HN,1,25,Lys,Ca,,16580,2
+24,2JHNCA,,1,1,26,26,LEU,H,H,1,1,,1,1,26,26,LEU,CA,C,13,1,2.95,,,0.5,,,1,26,Leu,HN,1,26,Leu,Ca,,16580,2
+25,2JHNCA,,1,1,27,27,HIS,H,H,1,1,,1,1,27,27,HIS,CA,C,13,1,2.46,,,0.5,,,1,27,His,HN,1,27,His,Ca,,16580,2
+26,2JHNCA,,1,1,28,28,GLU,H,H,1,1,,1,1,28,28,GLU,CA,C,13,1,2.62,,,0.5,,,1,28,Glu,HN,1,28,Glu,Ca,,16580,2
+27,2JHNCA,,1,1,29,29,ASP,H,H,1,1,,1,1,29,29,ASP,CA,C,13,1,1.92,,,0.5,,,1,29,Asp,HN,1,29,Asp,Ca,,16580,2
+28,2JHNCA,,1,1,30,30,GLY,H,H,1,1,,1,1,30,30,GLY,CA,C,13,1,1.94,,,0.5,,,1,30,Gly,HN,1,30,Gly,Ca,,16580,2
+29,2JHNCA,,1,1,31,31,GLU,H,H,1,1,,1,1,31,31,GLU,CA,C,13,1,0.68,,,0.5,,,1,31,Glu,HN,1,31,Glu,Ca,,16580,2
+30,2JHNCA,,1,1,32,32,THR,H,H,1,1,,1,1,32,32,THR,CA,C,13,1,1.01,,,0.5,,,1,32,Thr,HN,1,32,Thr,Ca,,16580,2
+31,2JHNCA,,1,1,33,33,VAL,H,H,1,1,,1,1,33,33,VAL,CA,C,13,1,1.03,,,0.5,,,1,33,Val,HN,1,33,Val,Ca,,16580,2
+32,2JHNCA,,1,1,34,34,GLY,H,H,1,1,,1,1,34,34,GLY,CA,C,13,1,1.89,,,0.5,,,1,34,Gly,HN,1,34,Gly,Ca,,16580,2
+33,2JHNCA,,1,1,37,37,SER,H,H,1,1,,1,1,37,37,SER,CA,C,13,1,1.56,,,0.5,,,1,37,Ser,HN,1,37,Ser,Ca,,16580,2
+34,2JHNCA,,1,1,38,38,TYR,H,H,1,1,,1,1,38,38,TYR,CA,C,13,1,1.65,,,0.5,,,1,38,Tyr,HN,1,38,Tyr,Ca,,16580,2
+35,2JHNCA,,1,1,40,40,HIS,H,H,1,1,,1,1,40,40,HIS,CA,C,13,1,2.26,,,0.5,,,1,40,His,HN,1,40,His,Ca,,16580,2
+36,2JHNCA,,1,1,41,41,LYS,H,H,1,1,,1,1,41,41,LYS,CA,C,13,1,1.16,,,0.5,,,1,41,Lys,HN,1,41,Lys,Ca,,16580,2
+37,2JHNCA,,1,1,42,42,TYR,H,H,1,1,,1,1,42,42,TYR,CA,C,13,1,1.4,,,0.5,,,1,42,Tyr,HN,1,42,Tyr,Ca,,16580,2
+38,2JHNCA,,1,1,43,43,ASN,H,H,1,1,,1,1,43,43,ASN,CA,C,13,1,2.38,,,0.5,,,1,43,Asn,HN,1,43,Asn,Ca,,16580,2
+39,2JHNCA,,1,1,44,44,ASN,H,H,1,1,,1,1,44,44,ASN,CA,C,13,1,3.22,,,0.5,,,1,44,Asn,HN,1,44,Asn,Ca,,16580,2
+40,2JHNCA,,1,1,45,45,TYR,H,H,1,1,,1,1,45,45,TYR,CA,C,13,1,2.5,,,0.5,,,1,45,Tyr,HN,1,45,Tyr,Ca,,16580,2
+41,2JHNCA,,1,1,46,46,GLU,H,H,1,1,,1,1,46,46,GLU,CA,C,13,1,2.16,,,0.5,,,1,46,Glu,HN,1,46,Glu,Ca,,16580,2
+42,2JHNCA,,1,1,47,47,GLY,H,H,1,1,,1,1,47,47,GLY,CA,C,13,1,1.76,,,0.5,,,1,47,Gly,HN,1,47,Gly,Ca,,16580,2
+43,2JHNCA,,1,1,48,48,PHE,H,H,1,1,,1,1,48,48,PHE,CA,C,13,1,1.8,,,0.5,,,1,48,Phe,HN,1,48,Phe,Ca,,16580,2
+44,2JHNCA,,1,1,49,49,ASP,H,H,1,1,,1,1,49,49,ASP,CA,C,13,1,2.06,,,0.5,,,1,49,Asp,HN,1,49,Asp,Ca,,16580,2
+45,2JHNCA,,1,1,50,50,PHE,H,H,1,1,,1,1,50,50,PHE,CA,C,13,1,2.4,,,0.5,,,1,50,Phe,HN,1,50,Phe,Ca,,16580,2
+46,2JHNCA,,1,1,51,51,SER,H,H,1,1,,1,1,51,51,SER,CA,C,13,1,2.28,,,0.5,,,1,51,Ser,HN,1,51,Ser,Ca,,16580,2
+47,2JHNCA,,1,1,52,52,VAL,H,H,1,1,,1,1,52,52,VAL,CA,C,13,1,0.99,,,0.5,,,1,52,Val,HN,1,52,Val,Ca,,16580,2
+48,2JHNCA,,1,1,53,53,SER,H,H,1,1,,1,1,53,53,SER,CA,C,13,1,2.08,,,0.5,,,1,53,Ser,HN,1,53,Ser,Ca,,16580,2
+49,2JHNCA,,1,1,54,54,SER,H,H,1,1,,1,1,54,54,SER,CA,C,13,1,1.7,,,0.5,,,1,54,Ser,HN,1,54,Ser,Ca,,16580,2
+50,2JHNCA,,1,1,56,56,TYR,H,H,1,1,,1,1,56,56,TYR,CA,C,13,1,1.32,,,0.5,,,1,56,Tyr,HN,1,56,Tyr,Ca,,16580,2
+51,2JHNCA,,1,1,57,57,TYR,H,H,1,1,,1,1,57,57,TYR,CA,C,13,1,1.69,,,0.5,,,1,57,Tyr,HN,1,57,Tyr,Ca,,16580,2
+52,2JHNCA,,1,1,58,58,GLU,H,H,1,1,,1,1,58,58,GLU,CA,C,13,1,1.58,,,0.5,,,1,58,Glu,HN,1,58,Glu,Ca,,16580,2
+53,2JHNCA,,1,1,59,59,TRP,H,H,1,1,,1,1,59,59,TRP,CA,C,13,1,1.17,,,0.5,,,1,59,Trp,HN,1,59,Trp,Ca,,16580,2
+54,2JHNCA,,1,1,61,61,ILE,H,H,1,1,,1,1,61,61,ILE,CA,C,13,1,1.41,,,0.5,,,1,61,Ile,HN,1,61,Ile,Ca,,16580,2
+55,2JHNCA,,1,1,62,62,LEU,H,H,1,1,,1,1,62,62,LEU,CA,C,13,1,1.54,,,0.5,,,1,62,Leu,HN,1,62,Leu,Ca,,16580,2
+56,2JHNCA,,1,1,63,63,SER,H,H,1,1,,1,1,63,63,SER,CA,C,13,1,2.78,,,0.5,,,1,63,Ser,HN,1,63,Ser,Ca,,16580,2
+57,2JHNCA,,1,1,64,64,SER,H,H,1,1,,1,1,64,64,SER,CA,C,13,1,2.39,,,0.5,,,1,64,Ser,HN,1,64,Ser,Ca,,16580,2
+58,2JHNCA,,1,1,65,65,GLY,H,H,1,1,,1,1,65,65,GLY,CA,C,13,1,2.2,,,0.5,,,1,65,Gly,HN,1,65,Gly,Ca,,16580,2
+59,2JHNCA,,1,1,66,66,ASP,H,H,1,1,,1,1,66,66,ASP,CA,C,13,1,1.1,,,0.5,,,1,66,Asp,HN,1,66,Asp,Ca,,16580,2
+60,2JHNCA,,1,1,67,67,VAL,H,H,1,1,,1,1,67,67,VAL,CA,C,13,1,1.95,,,0.5,,,1,67,Val,HN,1,67,Val,Ca,,16580,2
+61,2JHNCA,,1,1,68,68,TYR,H,H,1,1,,1,1,68,68,TYR,CA,C,13,1,2.23,,,0.5,,,1,68,Tyr,HN,1,68,Tyr,Ca,,16580,2
+62,2JHNCA,,1,1,69,69,SER,H,H,1,1,,1,1,69,69,SER,CA,C,13,1,2.22,,,0.5,,,1,69,Ser,HN,1,69,Ser,Ca,,16580,2
+63,2JHNCA,,1,1,74,74,GLY,H,H,1,1,,1,1,74,74,GLY,CA,C,13,1,2.05,,,0.5,,,1,74,Gly,HN,1,74,Gly,Ca,,16580,2
+64,2JHNCA,,1,1,75,75,ALA,H,H,1,1,,1,1,75,75,ALA,CA,C,13,1,3.45,,,0.5,,,1,75,Ala,HN,1,75,Ala,Ca,,16580,2
+65,2JHNCA,,1,1,76,76,ASP,H,H,1,1,,1,1,76,76,ASP,CA,C,13,1,1.21,,,0.5,,,1,76,Asp,HN,1,76,Asp,Ca,,16580,2
+66,2JHNCA,,1,1,77,77,ARG,H,H,1,1,,1,1,77,77,ARG,CA,C,13,1,1.75,,,0.5,,,1,77,Arg,HN,1,77,Arg,Ca,,16580,2
+67,2JHNCA,,1,1,78,78,VAL,H,H,1,1,,1,1,78,78,VAL,CA,C,13,1,0.49,,,0.5,,,1,78,Val,HN,1,78,Val,Ca,,16580,2
+68,2JHNCA,,1,1,79,79,VAL,H,H,1,1,,1,1,79,79,VAL,CA,C,13,1,1.41,,,0.5,,,1,79,Val,HN,1,79,Val,Ca,,16580,2
+69,2JHNCA,,1,1,80,80,PHE,H,H,1,1,,1,1,80,80,PHE,CA,C,13,1,2.12,,,0.5,,,1,80,Phe,HN,1,80,Phe,Ca,,16580,2
+70,2JHNCA,,1,1,81,81,ASN,H,H,1,1,,1,1,81,81,ASN,CA,C,13,1,2.13,,,0.5,,,1,81,Asn,HN,1,81,Asn,Ca,,16580,2
+71,2JHNCA,,1,1,82,82,GLU,H,H,1,1,,1,1,82,82,GLU,CA,C,13,1,2.06,,,0.5,,,1,82,Glu,HN,1,82,Glu,Ca,,16580,2
+72,2JHNCA,,1,1,83,83,ASN,H,H,1,1,,1,1,83,83,ASN,CA,C,13,1,1.49,,,0.5,,,1,83,Asn,HN,1,83,Asn,Ca,,16580,2
+73,2JHNCA,,1,1,84,84,ASN,H,H,1,1,,1,1,84,84,ASN,CA,C,13,1,2.33,,,0.5,,,1,84,Asn,HN,1,84,Asn,Ca,,16580,2
+74,2JHNCA,,1,1,85,85,GLN,H,H,1,1,,1,1,85,85,GLN,CA,C,13,1,0.95,,,0.5,,,1,85,Gln,HN,1,85,Gln,Ca,,16580,2
+75,2JHNCA,,1,1,86,86,LEU,H,H,1,1,,1,1,86,86,LEU,CA,C,13,1,2.46,,,0.5,,,1,86,Leu,HN,1,86,Leu,Ca,,16580,2
+76,2JHNCA,,1,1,87,87,ALA,H,H,1,1,,1,1,87,87,ALA,CA,C,13,1,1.93,,,0.5,,,1,87,Ala,HN,1,87,Ala,Ca,,16580,2
+77,2JHNCA,,1,1,88,88,GLY,H,H,1,1,,1,1,88,88,GLY,CA,C,13,1,1.73,,,0.5,,,1,88,Gly,HN,1,88,Gly,Ca,,16580,2
+78,2JHNCA,,1,1,89,89,VAL,H,H,1,1,,1,1,89,89,VAL,CA,C,13,1,1.28,,,0.5,,,1,89,Val,HN,1,89,Val,Ca,,16580,2
+79,2JHNCA,,1,1,90,90,ILE,H,H,1,1,,1,1,90,90,ILE,CA,C,13,1,1.34,,,0.5,,,1,90,Ile,HN,1,90,Ile,Ca,,16580,2
+80,2JHNCA,,1,1,91,91,THR,H,H,1,1,,1,1,91,91,THR,CA,C,13,1,1.1,,,0.5,,,1,91,Thr,HN,1,91,Thr,Ca,,16580,2
+81,2JHNCA,,1,1,92,92,HIS,H,H,1,1,,1,1,92,92,HIS,CA,C,13,1,2.53,,,0.5,,,1,92,His,HN,1,92,His,Ca,,16580,2
+82,2JHNCA,,1,1,93,93,THR,H,H,1,1,,1,1,93,93,THR,CA,C,13,1,2.31,,,0.5,,,1,93,Thr,HN,1,93,Thr,Ca,,16580,2
+83,2JHNCA,,1,1,94,94,GLY,H,H,1,1,,1,1,94,94,GLY,CA,C,13,1,2.3,,,0.5,,,1,94,Gly,HN,1,94,Gly,Ca,,16580,2
+84,2JHNCA,,1,1,95,95,ALA,H,H,1,1,,1,1,95,95,ALA,CA,C,13,1,1.63,,,0.5,,,1,95,Ala,HN,1,95,Ala,Ca,,16580,2
+85,2JHNCA,,1,1,96,96,SER,H,H,1,1,,1,1,96,96,SER,CA,C,13,1,1.9,,,0.5,,,1,96,Ser,HN,1,96,Ser,Ca,,16580,2
+86,2JHNCA,,1,1,97,97,GLY,H,H,1,1,,1,1,97,97,GLY,CA,C,13,1,1.42,,,0.5,,,1,97,Gly,HN,1,97,Gly,Ca,,16580,2
+87,2JHNCA,,1,1,99,99,ASN,H,H,1,1,,1,1,99,99,ASN,CA,C,13,1,1.33,,,0.5,,,1,99,Asn,HN,1,99,Asn,Ca,,16580,2
+88,2JHNCA,,1,1,100,100,PHE,H,H,1,1,,1,1,100,100,PHE,CA,C,13,1,1.04,,,0.5,,,1,100,Phe,HN,1,100,Phe,Ca,,16580,2
+89,2JHNCA,,1,1,101,101,VAL,H,H,1,1,,1,1,101,101,VAL,CA,C,13,1,0.62,,,0.5,,,1,101,Val,HN,1,101,Val,Ca,,16580,2
+90,2JHNCA,,1,1,102,102,GLU,H,H,1,1,,1,1,102,102,GLU,CA,C,13,1,2.28,,,0.5,,,1,102,Glu,HN,1,102,Glu,Ca,,16580,2
+91,2JHNCA,,1,1,103,103,CYS,H,H,1,1,,1,1,103,103,CYS,CA,C,13,1,1.19,,,0.5,,,1,103,Cys,HN,1,103,Cys,Ca,,16580,2
+92,2JHNCA,,1,1,104,104,THR,H,H,1,1,,1,1,104,104,THR,CA,C,13,1,1.16,,,0.5,,,1,104,Thr,HN,1,104,Thr,Ca,,16580,2

2J_coupling_fullset/experiments/16580_2JHaCO_loop0.csv

@@ -0,0 +1,91 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JHACO,,1,1,1,1,ALA,HA,H,1,1,,1,1,1,1,ALA,C,C,13,1,-3.69,,,0.5,,,1,1,Ala,Ha,1,1,Ala,C,,16580,5
+2,2JHACO,,1,1,2,2,CYS,HA,H,1,1,,1,1,2,2,CYS,C,C,13,1,-3.56,,,0.5,,,1,2,Cys,Ha,1,2,Cys,C,,16580,5
+3,2JHACO,,1,1,3,3,ASP,HA,H,1,1,,1,1,3,3,ASP,C,C,13,1,-5.22,,,0.5,,,1,3,Asp,Ha,1,3,Asp,C,,16580,5
+4,2JHACO,,1,1,4,4,TYR,HA,H,1,1,,1,1,4,4,TYR,C,C,13,1,-3.95,,,0.5,,,1,4,Tyr,Ha,1,4,Tyr,C,,16580,5
+5,2JHACO,,1,1,5,5,THR,HA,H,1,1,,1,1,5,5,THR,C,C,13,1,-3.92,,,0.5,,,1,5,Thr,Ha,1,5,Thr,C,,16580,5
+6,2JHACO,,1,1,6,6,CYS,HA,H,1,1,,1,1,6,6,CYS,C,C,13,1,-4.08,,,0.5,,,1,6,Cys,Ha,1,6,Cys,C,,16580,5
+7,2JHACO,,1,1,8,8,SER,HA,H,1,1,,1,1,8,8,SER,C,C,13,1,-6.84,,,0.5,,,1,8,Ser,Ha,1,8,Ser,C,,16580,5
+8,2JHACO,,1,1,9,9,ASN,HA,H,1,1,,1,1,9,9,ASN,C,C,13,1,-3.69,,,0.5,,,1,9,Asn,Ha,1,9,Asn,C,,16580,5
+9,2JHACO,,1,1,10,10,CYS,HA,H,1,1,,1,1,10,10,CYS,C,C,13,1,-2.95,,,0.5,,,1,10,Cys,Ha,1,10,Cys,C,,16580,5
+10,2JHACO,,1,1,11,11,TYR,HA,H,1,1,,1,1,11,11,TYR,C,C,13,1,-3.2,,,0.5,,,1,11,Tyr,Ha,1,11,Tyr,C,,16580,5
+11,2JHACO,,1,1,12,12,SER,HA,H,1,1,,1,1,12,12,SER,C,C,13,1,-3.63,,,0.5,,,1,12,Ser,Ha,1,12,Ser,C,,16580,5
+12,2JHACO,,1,1,13,13,SER,HA,H,1,1,,1,1,13,13,SER,C,C,13,1,-4.81,,,0.5,,,1,13,Ser,Ha,1,13,Ser,C,,16580,5
+13,2JHACO,,1,1,14,14,SER,HA,H,1,1,,1,1,14,14,SER,C,C,13,1,-6.17,,,0.5,,,1,14,Ser,Ha,1,14,Ser,C,,16580,5
+14,2JHACO,,1,1,15,15,ASP,HA,H,1,1,,1,1,15,15,ASP,C,C,13,1,-5.07,,,0.5,,,1,15,Asp,Ha,1,15,Asp,C,,16580,5
+15,2JHACO,,1,1,16,16,VAL,HA,H,1,1,,1,1,16,16,VAL,C,C,13,1,-5.46,,,0.5,,,1,16,Val,Ha,1,16,Val,C,,16580,5
+16,2JHACO,,1,1,17,17,SER,HA,H,1,1,,1,1,17,17,SER,C,C,13,1,-5.73,,,0.5,,,1,17,Ser,Ha,1,17,Ser,C,,16580,5
+17,2JHACO,,1,1,18,18,THR,HA,H,1,1,,1,1,18,18,THR,C,C,13,1,-5.63,,,0.5,,,1,18,Thr,Ha,1,18,Thr,C,,16580,5
+18,2JHACO,,1,1,19,19,ALA,HA,H,1,1,,1,1,19,19,ALA,C,C,13,1,-5.36,,,0.5,,,1,19,Ala,Ha,1,19,Ala,C,,16580,5
+19,2JHACO,,1,1,20,20,GLN,HA,H,1,1,,1,1,20,20,GLN,C,C,13,1,-5.07,,,0.5,,,1,20,Gln,Ha,1,20,Gln,C,,16580,5
+20,2JHACO,,1,1,21,21,ALA,HA,H,1,1,,1,1,21,21,ALA,C,C,13,1,-5.22,,,0.5,,,1,21,Ala,Ha,1,21,Ala,C,,16580,5
+21,2JHACO,,1,1,22,22,ALA,HA,H,1,1,,1,1,22,22,ALA,C,C,13,1,-4.87,,,0.5,,,1,22,Ala,Ha,1,22,Ala,C,,16580,5
+22,2JHACO,,1,1,24,24,TYR,HA,H,1,1,,1,1,24,24,TYR,C,C,13,1,-5.01,,,0.5,,,1,24,Tyr,Ha,1,24,Tyr,C,,16580,5
+23,2JHACO,,1,1,25,25,LYS,HA,H,1,1,,1,1,25,25,LYS,C,C,13,1,-5.02,,,0.5,,,1,25,Lys,Ha,1,25,Lys,C,,16580,5
+24,2JHACO,,1,1,26,26,LEU,HA,H,1,1,,1,1,26,26,LEU,C,C,13,1,-5.47,,,0.5,,,1,26,Leu,Ha,1,26,Leu,C,,16580,5
+25,2JHACO,,1,1,27,27,HIS,HA,H,1,1,,1,1,27,27,HIS,C,C,13,1,-4.99,,,0.5,,,1,27,His,Ha,1,27,His,C,,16580,5
+26,2JHACO,,1,1,28,28,GLU,HA,H,1,1,,1,1,28,28,GLU,C,C,13,1,-5.4,,,0.5,,,1,28,Glu,Ha,1,28,Glu,C,,16580,5
+27,2JHACO,,1,1,29,29,ASP,HA,H,1,1,,1,1,29,29,ASP,C,C,13,1,-5.46,,,0.5,,,1,29,Asp,Ha,1,29,Asp,C,,16580,5
+28,2JHACO,,1,1,31,31,GLU,HA,H,1,1,,1,1,31,31,GLU,C,C,13,1,-4.19,,,0.5,,,1,31,Glu,Ha,1,31,Glu,C,,16580,5
+29,2JHACO,,1,1,32,32,THR,HA,H,1,1,,1,1,32,32,THR,C,C,13,1,-5.58,,,0.5,,,1,32,Thr,Ha,1,32,Thr,C,,16580,5
+30,2JHACO,,1,1,33,33,VAL,HA,H,1,1,,1,1,33,33,VAL,C,C,13,1,-4.74,,,0.5,,,1,33,Val,Ha,1,33,Val,C,,16580,5
+31,2JHACO,,1,1,36,36,ASN,HA,H,1,1,,1,1,36,36,ASN,C,C,13,1,-5.87,,,0.5,,,1,36,Asn,Ha,1,36,Asn,C,,16580,5
+32,2JHACO,,1,1,37,37,SER,HA,H,1,1,,1,1,37,37,SER,C,C,13,1,-5.45,,,0.5,,,1,37,Ser,Ha,1,37,Ser,C,,16580,5
+33,2JHACO,,1,1,38,38,TYR,HA,H,1,1,,1,1,38,38,TYR,C,C,13,1,-3.12,,,0.5,,,1,38,Tyr,Ha,1,38,Tyr,C,,16580,5
+34,2JHACO,,1,1,39,39,PRO,HA,H,1,1,,1,1,39,39,PRO,C,C,13,1,0.18,,,0.5,,,1,39,Pro,Ha,1,39,Pro,C,,16580,5
+35,2JHACO,,1,1,40,40,HIS,HA,H,1,1,,1,1,40,40,HIS,C,C,13,1,-4.07,,,0.5,,,1,40,His,Ha,1,40,His,C,,16580,5
+36,2JHACO,,1,1,41,41,LYS,HA,H,1,1,,1,1,41,41,LYS,C,C,13,1,-2.49,,,0.5,,,1,41,Lys,Ha,1,41,Lys,C,,16580,5
+37,2JHACO,,1,1,42,42,TYR,HA,H,1,1,,1,1,42,42,TYR,C,C,13,1,-3.81,,,0.5,,,1,42,Tyr,Ha,1,42,Tyr,C,,16580,5
+38,2JHACO,,1,1,43,43,ASN,HA,H,1,1,,1,1,43,43,ASN,C,C,13,1,-6.36,,,0.5,,,1,43,Asn,Ha,1,43,Asn,C,,16580,5
+39,2JHACO,,1,1,44,44,ASN,HA,H,1,1,,1,1,44,44,ASN,C,C,13,1,-5.96,,,0.5,,,1,44,Asn,Ha,1,44,Asn,C,,16580,5
+40,2JHACO,,1,1,45,45,TYR,HA,H,1,1,,1,1,45,45,TYR,C,C,13,1,-5.57,,,0.5,,,1,45,Tyr,Ha,1,45,Tyr,C,,16580,5
+41,2JHACO,,1,1,46,46,GLU,HA,H,1,1,,1,1,46,46,GLU,C,C,13,1,-5.18,,,0.5,,,1,46,Glu,Ha,1,46,Glu,C,,16580,5
+42,2JHACO,,1,1,48,48,PHE,HA,H,1,1,,1,1,48,48,PHE,C,C,13,1,-2.85,,,0.5,,,1,48,Phe,Ha,1,48,Phe,C,,16580,5
+43,2JHACO,,1,1,49,49,ASP,HA,H,1,1,,1,1,49,49,ASP,C,C,13,1,-3.77,,,0.5,,,1,49,Asp,Ha,1,49,Asp,C,,16580,5
+44,2JHACO,,1,1,50,50,PHE,HA,H,1,1,,1,1,50,50,PHE,C,C,13,1,-3.99,,,0.5,,,1,50,Phe,Ha,1,50,Phe,C,,16580,5
+45,2JHACO,,1,1,51,51,SER,HA,H,1,1,,1,1,51,51,SER,C,C,13,1,-6.21,,,0.5,,,1,51,Ser,Ha,1,51,Ser,C,,16580,5
+46,2JHACO,,1,1,52,52,VAL,HA,H,1,1,,1,1,52,52,VAL,C,C,13,1,-4.24,,,0.5,,,1,52,Val,Ha,1,52,Val,C,,16580,5
+47,2JHACO,,1,1,53,53,SER,HA,H,1,1,,1,1,53,53,SER,C,C,13,1,-2.77,,,0.5,,,1,53,Ser,Ha,1,53,Ser,C,,16580,5
+48,2JHACO,,1,1,54,54,SER,HA,H,1,1,,1,1,54,54,SER,C,C,13,1,-3.62,,,0.5,,,1,54,Ser,Ha,1,54,Ser,C,,16580,5
+49,2JHACO,,1,1,55,55,PRO,HA,H,1,1,,1,1,55,55,PRO,C,C,13,1,-0.68,,,0.5,,,1,55,Pro,Ha,1,55,Pro,C,,16580,5
+50,2JHACO,,1,1,56,56,TYR,HA,H,1,1,,1,1,56,56,TYR,C,C,13,1,-3.82,,,0.5,,,1,56,Tyr,Ha,1,56,Tyr,C,,16580,5
+51,2JHACO,,1,1,57,57,TYR,HA,H,1,1,,1,1,57,57,TYR,C,C,13,1,-3.94,,,0.5,,,1,57,Tyr,Ha,1,57,Tyr,C,,16580,5
+52,2JHACO,,1,1,58,58,GLU,HA,H,1,1,,1,1,58,58,GLU,C,C,13,1,-4.52,,,0.5,,,1,58,Glu,Ha,1,58,Glu,C,,16580,5
+53,2JHACO,,1,1,59,59,TRP,HA,H,1,1,,1,1,59,59,TRP,C,C,13,1,-3.44,,,0.5,,,1,59,Trp,Ha,1,59,Trp,C,,16580,5
+54,2JHACO,,1,1,60,60,PRO,HA,H,1,1,,1,1,60,60,PRO,C,C,13,1,-2.41,,,0.5,,,1,60,Pro,Ha,1,60,Pro,C,,16580,5
+55,2JHACO,,1,1,61,61,ILE,HA,H,1,1,,1,1,61,61,ILE,C,C,13,1,-3.66,,,0.5,,,1,61,Ile,Ha,1,61,Ile,C,,16580,5
+56,2JHACO,,1,1,62,62,LEU,HA,H,1,1,,1,1,62,62,LEU,C,C,13,1,-3.87,,,0.5,,,1,62,Leu,Ha,1,62,Leu,C,,16580,5
+57,2JHACO,,1,1,63,63,SER,HA,H,1,1,,1,1,63,63,SER,C,C,13,1,-5.47,,,0.5,,,1,63,Ser,Ha,1,63,Ser,C,,16580,5
+58,2JHACO,,1,1,64,64,SER,HA,H,1,1,,1,1,64,64,SER,C,C,13,1,-5.07,,,0.5,,,1,64,Ser,Ha,1,64,Ser,C,,16580,5
+59,2JHACO,,1,1,66,66,ASP,HA,H,1,1,,1,1,66,66,ASP,C,C,13,1,-3.85,,,0.5,,,1,66,Asp,Ha,1,66,Asp,C,,16580,5
+60,2JHACO,,1,1,67,67,VAL,HA,H,1,1,,1,1,67,67,VAL,C,C,13,1,-3.05,,,0.5,,,1,67,Val,Ha,1,67,Val,C,,16580,5
+61,2JHACO,,1,1,68,68,TYR,HA,H,1,1,,1,1,68,68,TYR,C,C,13,1,-2.16,,,0.5,,,1,68,Tyr,Ha,1,68,Tyr,C,,16580,5
+62,2JHACO,,1,1,69,69,SER,HA,H,1,1,,1,1,69,69,SER,C,C,13,1,-5.17,,,0.5,,,1,69,Ser,Ha,1,69,Ser,C,,16580,5
+63,2JHACO,,1,1,73,73,PRO,HA,H,1,1,,1,1,73,73,PRO,C,C,13,1,-5.05,,,0.5,,,1,73,Pro,Ha,1,73,Pro,C,,16580,5
+64,2JHACO,,1,1,75,75,ALA,HA,H,1,1,,1,1,75,75,ALA,C,C,13,1,-4.78,,,0.5,,,1,75,Ala,Ha,1,75,Ala,C,,16580,5
+65,2JHACO,,1,1,76,76,ASP,HA,H,1,1,,1,1,76,76,ASP,C,C,13,1,-3.91,,,0.5,,,1,76,Asp,Ha,1,76,Asp,C,,16580,5
+66,2JHACO,,1,1,77,77,ARG,HA,H,1,1,,1,1,77,77,ARG,C,C,13,1,-4.6,,,0.5,,,1,77,Arg,Ha,1,77,Arg,C,,16580,5
+67,2JHACO,,1,1,78,78,VAL,HA,H,1,1,,1,1,78,78,VAL,C,C,13,1,-4.02,,,0.5,,,1,78,Val,Ha,1,78,Val,C,,16580,5
+68,2JHACO,,1,1,79,79,VAL,HA,H,1,1,,1,1,79,79,VAL,C,C,13,1,-3.98,,,0.5,,,1,79,Val,Ha,1,79,Val,C,,16580,5
+69,2JHACO,,1,1,80,80,PHE,HA,H,1,1,,1,1,80,80,PHE,C,C,13,1,-5.21,,,0.5,,,1,80,Phe,Ha,1,80,Phe,C,,16580,5
+70,2JHACO,,1,1,81,81,ASN,HA,H,1,1,,1,1,81,81,ASN,C,C,13,1,-6.12,,,0.5,,,1,81,Asn,Ha,1,81,Asn,C,,16580,5
+71,2JHACO,,1,1,82,82,GLU,HA,H,1,1,,1,1,82,82,GLU,C,C,13,1,-4.81,,,0.5,,,1,82,Glu,Ha,1,82,Glu,C,,16580,5
+72,2JHACO,,1,1,83,83,ASN,HA,H,1,1,,1,1,83,83,ASN,C,C,13,1,-6.21,,,0.5,,,1,83,Asn,Ha,1,83,Asn,C,,16580,5
+73,2JHACO,,1,1,84,84,ASN,HA,H,1,1,,1,1,84,84,ASN,C,C,13,1,-5.68,,,0.5,,,1,84,Asn,Ha,1,84,Asn,C,,16580,5
+74,2JHACO,,1,1,85,85,GLN,HA,H,1,1,,1,1,85,85,GLN,C,C,13,1,-3.45,,,0.5,,,1,85,Gln,Ha,1,85,Gln,C,,16580,5
+75,2JHACO,,1,1,86,86,LEU,HA,H,1,1,,1,1,86,86,LEU,C,C,13,1,-1.87,,,0.5,,,1,86,Leu,Ha,1,86,Leu,C,,16580,5
+76,2JHACO,,1,1,87,87,ALA,HA,H,1,1,,1,1,87,87,ALA,C,C,13,1,-6.16,,,0.5,,,1,87,Ala,Ha,1,87,Ala,C,,16580,5
+77,2JHACO,,1,1,89,89,VAL,HA,H,1,1,,1,1,89,89,VAL,C,C,13,1,-3.91,,,0.5,,,1,89,Val,Ha,1,89,Val,C,,16580,5
+78,2JHACO,,1,1,90,90,ILE,HA,H,1,1,,1,1,90,90,ILE,C,C,13,1,-5.56,,,0.5,,,1,90,Ile,Ha,1,90,Ile,C,,16580,5
+79,2JHACO,,1,1,91,91,THR,HA,H,1,1,,1,1,91,91,THR,C,C,13,1,-4.35,,,0.5,,,1,91,Thr,Ha,1,91,Thr,C,,16580,5
+80,2JHACO,,1,1,92,92,HIS,HA,H,1,1,,1,1,92,92,HIS,C,C,13,1,-5.49,,,0.5,,,1,92,His,Ha,1,92,His,C,,16580,5
+81,2JHACO,,1,1,93,93,THR,HA,H,1,1,,1,1,93,93,THR,C,C,13,1,-3.02,,,0.5,,,1,93,Thr,Ha,1,93,Thr,C,,16580,5
+82,2JHACO,,1,1,95,95,ALA,HA,H,1,1,,1,1,95,95,ALA,C,C,13,1,-4.22,,,0.5,,,1,95,Ala,Ha,1,95,Ala,C,,16580,5
+83,2JHACO,,1,1,96,96,SER,HA,H,1,1,,1,1,96,96,SER,C,C,13,1,-4.56,,,0.5,,,1,96,Ser,Ha,1,96,Ser,C,,16580,5
+84,2JHACO,,1,1,98,98,ASN,HA,H,1,1,,1,1,98,98,ASN,C,C,13,1,-5.91,,,0.5,,,1,98,Asn,Ha,1,98,Asn,C,,16580,5
+85,2JHACO,,1,1,99,99,ASN,HA,H,1,1,,1,1,99,99,ASN,C,C,13,1,-3.97,,,0.5,,,1,99,Asn,Ha,1,99,Asn,C,,16580,5
+86,2JHACO,,1,1,100,100,PHE,HA,H,1,1,,1,1,100,100,PHE,C,C,13,1,-4.3,,,0.5,,,1,100,Phe,Ha,1,100,Phe,C,,16580,5
+87,2JHACO,,1,1,101,101,VAL,HA,H,1,1,,1,1,101,101,VAL,C,C,13,1,-4.62,,,0.5,,,1,101,Val,Ha,1,101,Val,C,,16580,5
+88,2JHACO,,1,1,102,102,GLU,HA,H,1,1,,1,1,102,102,GLU,C,C,13,1,-3.29,,,0.5,,,1,102,Glu,Ha,1,102,Glu,C,,16580,5
+89,2JHACO,,1,1,103,103,CYS,HA,H,1,1,,1,1,103,103,CYS,C,C,13,1,-3.16,,,0.5,,,1,103,Cys,Ha,1,103,Cys,C,,16580,5
+90,2JHACO,,1,1,104,104,THR,HA,H,1,1,,1,1,104,104,THR,C,C,13,1,-6.04,,,0.5,,,1,104,Thr,Ha,1,104,Thr,C,,16580,5

2J_coupling_fullset/experiments/16580_2JHaCb_loop0.csv

@@ -0,0 +1,70 @@
+_Coupling_constant.ID,_Coupling_constant.Code,_Coupling_constant.Assembly_atom_ID_1,_Coupling_constant.Entity_assembly_ID_1,_Coupling_constant.Entity_ID_1,_Coupling_constant.Comp_index_ID_1,_Coupling_constant.Seq_ID_1,_Coupling_constant.Comp_ID_1,_Coupling_constant.Atom_ID_1,_Coupling_constant.Atom_type_1,_Coupling_constant.Atom_isotope_number_1,_Coupling_constant.Ambiguity_code_1,_Coupling_constant.Assembly_atom_ID_2,_Coupling_constant.Entity_assembly_ID_2,_Coupling_constant.Entity_ID_2,_Coupling_constant.Comp_index_ID_2,_Coupling_constant.Seq_ID_2,_Coupling_constant.Comp_ID_2,_Coupling_constant.Atom_ID_2,_Coupling_constant.Atom_type_2,_Coupling_constant.Atom_isotope_number_2,_Coupling_constant.Ambiguity_code_2,_Coupling_constant.Val,_Coupling_constant.Val_min,_Coupling_constant.Val_max,_Coupling_constant.Val_err,_Coupling_constant.Resonance_ID_1,_Coupling_constant.Resonance_ID_2,_Coupling_constant.Auth_entity_assembly_ID_1,_Coupling_constant.Auth_seq_ID_1,_Coupling_constant.Auth_comp_ID_1,_Coupling_constant.Auth_atom_ID_1,_Coupling_constant.Auth_entity_assembly_ID_2,_Coupling_constant.Auth_seq_ID_2,_Coupling_constant.Auth_comp_ID_2,_Coupling_constant.Auth_atom_ID_2,_Coupling_constant.Details,_Coupling_constant.Entry_ID,_Coupling_constant.Coupling_constant_list_ID
+1,2JHACB,,1,1,1,1,ALA,HA,H,1,1,,1,1,1,1,ALA,CB,C,13,1,-4.34,,,0.5,,,1,1,Ala,Ha,1,1,Ala,Cb,,16580,6
+2,2JHACB,,1,1,2,2,CYS,HA,H,1,1,,1,1,2,2,CYS,CB,C,13,1,-3.44,,,0.5,,,1,2,Cys,Ha,1,2,Cys,Cb,,16580,6
+3,2JHACB,,1,1,3,3,ASP,HA,H,1,1,,1,1,3,3,ASP,CB,C,13,1,-4.54,,,0.5,,,1,3,Asp,Ha,1,3,Asp,Cb,,16580,6
+4,2JHACB,,1,1,4,4,TYR,HA,H,1,1,,1,1,4,4,TYR,CB,C,13,1,-4.54,,,0.5,,,1,4,Tyr,Ha,1,4,Tyr,Cb,,16580,6
+5,2JHACB,,1,1,6,6,CYS,HA,H,1,1,,1,1,6,6,CYS,CB,C,13,1,-4.58,,,0.5,,,1,6,Cys,Ha,1,6,Cys,Cb,,16580,6
+6,2JHACB,,1,1,9,9,ASN,HA,H,1,1,,1,1,9,9,ASN,CB,C,13,1,-1.1,,,0.5,,,1,9,Asn,Ha,1,9,Asn,Cb,,16580,6
+7,2JHACB,,1,1,10,10,CYS,HA,H,1,1,,1,1,10,10,CYS,CB,C,13,1,-0.85,,,0.5,,,1,10,Cys,Ha,1,10,Cys,Cb,,16580,6
+8,2JHACB,,1,1,11,11,TYR,HA,H,1,1,,1,1,11,11,TYR,CB,C,13,1,-4.49,,,0.5,,,1,11,Tyr,Ha,1,11,Tyr,Cb,,16580,6
+9,2JHACB,,1,1,15,15,ASP,HA,H,1,1,,1,1,15,15,ASP,CB,C,13,1,-6.24,,,0.5,,,1,15,Asp,Ha,1,15,Asp,Cb,,16580,6
+10,2JHACB,,1,1,16,16,VAL,HA,H,1,1,,1,1,16,16,VAL,CB,C,13,1,-4.93,,,0.5,,,1,16,Val,Ha,1,16,Val,Cb,,16580,6
+11,2JHACB,,1,1,19,19,ALA,HA,H,1,1,,1,1,19,19,ALA,CB,C,13,1,-4.56,,,0.5,,,1,19,Ala,Ha,1,19,Ala,Cb,,16580,6
+12,2JHACB,,1,1,20,20,GLN,HA,H,1,1,,1,1,20,20,GLN,CB,C,13,1,-4.24,,,0.5,,,1,20,Gln,Ha,1,20,Gln,Cb,,16580,6
+13,2JHACB,,1,1,21,21,ALA,HA,H,1,1,,1,1,21,21,ALA,CB,C,13,1,-4.89,,,0.5,,,1,21,Ala,Ha,1,21,Ala,Cb,,16580,6
+14,2JHACB,,1,1,22,22,ALA,HA,H,1,1,,1,1,22,22,ALA,CB,C,13,1,-4.7,,,0.5,,,1,22,Ala,Ha,1,22,Ala,Cb,,16580,6
+15,2JHACB,,1,1,24,24,TYR,HA,H,1,1,,1,1,24,24,TYR,CB,C,13,1,-4.71,,,0.5,,,1,24,Tyr,Ha,1,24,Tyr,Cb,,16580,6
+16,2JHACB,,1,1,25,25,LYS,HA,H,1,1,,1,1,25,25,LYS,CB,C,13,1,-4.23,,,0.5,,,1,25,Lys,Ha,1,25,Lys,Cb,,16580,6
+17,2JHACB,,1,1,26,26,LEU,HA,H,1,1,,1,1,26,26,LEU,CB,C,13,1,-8.41,,,0.5,,,1,26,Leu,Ha,1,26,Leu,Cb,,16580,6
+18,2JHACB,,1,1,27,27,HIS,HA,H,1,1,,1,1,27,27,HIS,CB,C,13,1,-4.39,,,0.5,,,1,27,His,Ha,1,27,His,Cb,,16580,6
+19,2JHACB,,1,1,28,28,GLU,HA,H,1,1,,1,1,28,28,GLU,CB,C,13,1,-4.87,,,0.5,,,1,28,Glu,Ha,1,28,Glu,Cb,,16580,6
+20,2JHACB,,1,1,31,31,GLU,HA,H,1,1,,1,1,31,31,GLU,CB,C,13,1,-5.37,,,0.5,,,1,31,Glu,Ha,1,31,Glu,Cb,,16580,6
+21,2JHACB,,1,1,33,33,VAL,HA,H,1,1,,1,1,33,33,VAL,CB,C,13,1,-4.55,,,0.5,,,1,33,Val,Ha,1,33,Val,Cb,,16580,6
+22,2JHACB,,1,1,36,36,ASN,HA,H,1,1,,1,1,36,36,ASN,CB,C,13,1,-6.2,,,0.5,,,1,36,Asn,Ha,1,36,Asn,Cb,,16580,6
+23,2JHACB,,1,1,38,38,TYR,HA,H,1,1,,1,1,38,38,TYR,CB,C,13,1,-1.07,,,0.5,,,1,38,Tyr,Ha,1,38,Tyr,Cb,,16580,6
+24,2JHACB,,1,1,39,39,PRO,HA,H,1,1,,1,1,39,39,PRO,CB,C,13,1,-4.33,,,0.5,,,1,39,Pro,Ha,1,39,Pro,Cb,,16580,6
+25,2JHACB,,1,1,40,40,HIS,HA,H,1,1,,1,1,40,40,HIS,CB,C,13,1,-4.61,,,0.5,,,1,40,His,Ha,1,40,His,Cb,,16580,6
+26,2JHACB,,1,1,41,41,LYS,HA,H,1,1,,1,1,41,41,LYS,CB,C,13,1,-4.55,,,0.5,,,1,41,Lys,Ha,1,41,Lys,Cb,,16580,6
+27,2JHACB,,1,1,42,42,TYR,HA,H,1,1,,1,1,42,42,TYR,CB,C,13,1,-5.26,,,0.5,,,1,42,Tyr,Ha,1,42,Tyr,Cb,,16580,6
+28,2JHACB,,1,1,43,43,ASN,HA,H,1,1,,1,1,43,43,ASN,CB,C,13,1,-7.19,,,0.5,,,1,43,Asn,Ha,1,43,Asn,Cb,,16580,6
+29,2JHACB,,1,1,44,44,ASN,HA,H,1,1,,1,1,44,44,ASN,CB,C,13,1,-5.47,,,0.5,,,1,44,Asn,Ha,1,44,Asn,Cb,,16580,6
+30,2JHACB,,1,1,45,45,TYR,HA,H,1,1,,1,1,45,45,TYR,CB,C,13,1,-5.67,,,0.5,,,1,45,Tyr,Ha,1,45,Tyr,Cb,,16580,6
+31,2JHACB,,1,1,46,46,GLU,HA,H,1,1,,1,1,46,46,GLU,CB,C,13,1,-5.24,,,0.5,,,1,46,Glu,Ha,1,46,Glu,Cb,,16580,6
+32,2JHACB,,1,1,48,48,PHE,HA,H,1,1,,1,1,48,48,PHE,CB,C,13,1,-6.14,,,0.5,,,1,48,Phe,Ha,1,48,Phe,Cb,,16580,6
+33,2JHACB,,1,1,49,49,ASP,HA,H,1,1,,1,1,49,49,ASP,CB,C,13,1,-5.05,,,0.5,,,1,49,Asp,Ha,1,49,Asp,Cb,,16580,6
+34,2JHACB,,1,1,50,50,PHE,HA,H,1,1,,1,1,50,50,PHE,CB,C,13,1,-3.57,,,0.5,,,1,50,Phe,Ha,1,50,Phe,Cb,,16580,6
+35,2JHACB,,1,1,52,52,VAL,HA,H,1,1,,1,1,52,52,VAL,CB,C,13,1,-4.35,,,0.5,,,1,52,Val,Ha,1,52,Val,Cb,,16580,6
+36,2JHACB,,1,1,55,55,PRO,HA,H,1,1,,1,1,55,55,PRO,CB,C,13,1,-2.63,,,0.5,,,1,55,Pro,Ha,1,55,Pro,Cb,,16580,6
+37,2JHACB,,1,1,56,56,TYR,HA,H,1,1,,1,1,56,56,TYR,CB,C,13,1,-6.61,,,0.5,,,1,56,Tyr,Ha,1,56,Tyr,Cb,,16580,6
+38,2JHACB,,1,1,57,57,TYR,HA,H,1,1,,1,1,57,57,TYR,CB,C,13,1,-4.59,,,0.5,,,1,57,Tyr,Ha,1,57,Tyr,Cb,,16580,6
+39,2JHACB,,1,1,58,58,GLU,HA,H,1,1,,1,1,58,58,GLU,CB,C,13,1,-4.29,,,0.5,,,1,58,Glu,Ha,1,58,Glu,Cb,,16580,6
+40,2JHACB,,1,1,59,59,TRP,HA,H,1,1,,1,1,59,59,TRP,CB,C,13,1,-3.34,,,0.5,,,1,59,Trp,Ha,1,59,Trp,Cb,,16580,6
+41,2JHACB,,1,1,60,60,PRO,HA,H,1,1,,1,1,60,60,PRO,CB,C,13,1,-5.0,,,0.5,,,1,60,Pro,Ha,1,60,Pro,Cb,,16580,6
+42,2JHACB,,1,1,61,61,ILE,HA,H,1,1,,1,1,61,61,ILE,CB,C,13,1,-3.29,,,0.5,,,1,61,Ile,Ha,1,61,Ile,Cb,,16580,6
+43,2JHACB,,1,1,62,62,LEU,HA,H,1,1,,1,1,62,62,LEU,CB,C,13,1,-4.01,,,0.5,,,1,62,Leu,Ha,1,62,Leu,Cb,,16580,6
+44,2JHACB,,1,1,66,66,ASP,HA,H,1,1,,1,1,66,66,ASP,CB,C,13,1,-5.01,,,0.5,,,1,66,Asp,Ha,1,66,Asp,Cb,,16580,6
+45,2JHACB,,1,1,68,68,TYR,HA,H,1,1,,1,1,68,68,TYR,CB,C,13,1,-3.49,,,0.5,,,1,68,Tyr,Ha,1,68,Tyr,Cb,,16580,6
+46,2JHACB,,1,1,73,73,PRO,HA,H,1,1,,1,1,73,73,PRO,CB,C,13,1,-1.44,,,0.5,,,1,73,Pro,Ha,1,73,Pro,Cb,,16580,6
+47,2JHACB,,1,1,75,75,ALA,HA,H,1,1,,1,1,75,75,ALA,CB,C,13,1,-5.21,,,0.5,,,1,75,Ala,Ha,1,75,Ala,Cb,,16580,6
+48,2JHACB,,1,1,76,76,ASP,HA,H,1,1,,1,1,76,76,ASP,CB,C,13,1,-6.11,,,0.5,,,1,76,Asp,Ha,1,76,Asp,Cb,,16580,6
+49,2JHACB,,1,1,77,77,ARG,HA,H,1,1,,1,1,77,77,ARG,CB,C,13,1,-4.96,,,0.5,,,1,77,Arg,Ha,1,77,Arg,Cb,,16580,6
+50,2JHACB,,1,1,78,78,VAL,HA,H,1,1,,1,1,78,78,VAL,CB,C,13,1,-5.05,,,0.5,,,1,78,Val,Ha,1,78,Val,Cb,,16580,6
+51,2JHACB,,1,1,79,79,VAL,HA,H,1,1,,1,1,79,79,VAL,CB,C,13,1,-4.69,,,0.5,,,1,79,Val,Ha,1,79,Val,Cb,,16580,6
+52,2JHACB,,1,1,80,80,PHE,HA,H,1,1,,1,1,80,80,PHE,CB,C,13,1,-4.4,,,0.5,,,1,80,Phe,Ha,1,80,Phe,Cb,,16580,6
+53,2JHACB,,1,1,81,81,ASN,HA,H,1,1,,1,1,81,81,ASN,CB,C,13,1,-5.03,,,0.5,,,1,81,Asn,Ha,1,81,Asn,Cb,,16580,6
+54,2JHACB,,1,1,82,82,GLU,HA,H,1,1,,1,1,82,82,GLU,CB,C,13,1,-4.79,,,0.5,,,1,82,Glu,Ha,1,82,Glu,Cb,,16580,6
+55,2JHACB,,1,1,83,83,ASN,HA,H,1,1,,1,1,83,83,ASN,CB,C,13,1,-5.99,,,0.5,,,1,83,Asn,Ha,1,83,Asn,Cb,,16580,6
+56,2JHACB,,1,1,84,84,ASN,HA,H,1,1,,1,1,84,84,ASN,CB,C,13,1,-6.07,,,0.5,,,1,84,Asn,Ha,1,84,Asn,Cb,,16580,6
+57,2JHACB,,1,1,85,85,GLN,HA,H,1,1,,1,1,85,85,GLN,CB,C,13,1,-5.33,,,0.5,,,1,85,Gln,Ha,1,85,Gln,Cb,,16580,6
+58,2JHACB,,1,1,86,86,LEU,HA,H,1,1,,1,1,86,86,LEU,CB,C,13,1,-5.43,,,0.5,,,1,86,Leu,Ha,1,86,Leu,Cb,,16580,6
+59,2JHACB,,1,1,87,87,ALA,HA,H,1,1,,1,1,87,87,ALA,CB,C,13,1,-5.39,,,0.5,,,1,87,Ala,Ha,1,87,Ala,Cb,,16580,6
+60,2JHACB,,1,1,89,89,VAL,HA,H,1,1,,1,1,89,89,VAL,CB,C,13,1,-4.52,,,0.5,,,1,89,Val,Ha,1,89,Val,Cb,,16580,6
+61,2JHACB,,1,1,90,90,ILE,HA,H,1,1,,1,1,90,90,ILE,CB,C,13,1,-4.63,,,0.5,,,1,90,Ile,Ha,1,90,Ile,Cb,,16580,6
+62,2JHACB,,1,1,92,92,HIS,HA,H,1,1,,1,1,92,92,HIS,CB,C,13,1,-6.41,,,0.5,,,1,92,His,Ha,1,92,His,Cb,,16580,6
+63,2JHACB,,1,1,95,95,ALA,HA,H,1,1,,1,1,95,95,ALA,CB,C,13,1,-7.34,,,0.5,,,1,95,Ala,Ha,1,95,Ala,Cb,,16580,6
+64,2JHACB,,1,1,98,98,ASN,HA,H,1,1,,1,1,98,98,ASN,CB,C,13,1,-5.75,,,0.5,,,1,98,Asn,Ha,1,98,Asn,Cb,,16580,6
+65,2JHACB,,1,1,99,99,ASN,HA,H,1,1,,1,1,99,99,ASN,CB,C,13,1,-6.26,,,0.5,,,1,99,Asn,Ha,1,99,Asn,Cb,,16580,6
+66,2JHACB,,1,1,100,100,PHE,HA,H,1,1,,1,1,100,100,PHE,CB,C,13,1,-2.7,,,0.5,,,1,100,Phe,Ha,1,100,Phe,Cb,,16580,6
+67,2JHACB,,1,1,101,101,VAL,HA,H,1,1,,1,1,101,101,VAL,CB,C,13,1,-3.93,,,0.5,,,1,101,Val,Ha,1,101,Val,Cb,,16580,6
+68,2JHACB,,1,1,102,102,GLU,HA,H,1,1,,1,1,102,102,GLU,CB,C,13,1,-4.54,,,0.5,,,1,102,Glu,Ha,1,102,Glu,Cb,,16580,6
+69,2JHACB,,1,1,103,103,CYS,HA,H,1,1,,1,1,103,103,CYS,CB,C,13,1,-0.3,,,0.5,,,1,103,Cys,Ha,1,103,Cys,Cb,,16580,6