data_5607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Extended Second Transmembrane Domain of the Human Neuronal Glycine Receptor alpha1 Subunit in SDS Micelles ; _BMRB_accession_number 5607 _BMRB_flat_file_name bmr5607.str _Entry_type original _Submission_date 2002-12-02 _Accession_date 2002-12-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yushmanov V. E. . 2 Mandal P. K. . 3 Liu Z. . . 4 Tang P. . . 5 Xu Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 121 "15N chemical shifts" 25 "coupling constants" 19 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4432 'glycine receptor alpha 1 subunit TM2 segment' 4433 'glycine receptor alpha 1 subunit TM2 segment S267Y' stop_ _Original_release_date 2003-05-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure and Backbone Dynamics of the Extended Second Transmembrane Domain of the Human Neuronal Glycine Receptor alpha1 Subunit ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22554011 _PubMed_ID 12667090 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yushmanov V. E. . 2 Mandal P. K. . 3 Liu Z. . . 4 Tang P. . . 5 Xu Y. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3989 _Page_last 3995 _Year 2003 _Details . loop_ _Keyword 'glycine receptor' NMR 'second transmembrane domain' micelles stop_ save_ ################################## # Molecular system description # ################################## save_system_GlyR_TM2 _Saveframe_category molecular_system _Mol_system_name 'Human Neuronal Glycine Receptor alpha-1 Chain TM2' _Abbreviation_common 'GlyR TM2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Glycine Receptor alpha-1 Chain TM2, I' $GlyR_TM2 'Glycine Receptor alpha-1 Chain TM2, II' $GlyR_TM2 'Glycine Receptor alpha-1 Chain TM2, III' $GlyR_TM2 'Glycine Receptor alpha-1 Chain TM2, IV' $GlyR_TM2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state tetramer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Glycine Receptor alpha-1 Chain TM2, I' 1 'Glycine Receptor alpha-1 Chain TM2, II' 1 'Glycine Receptor alpha-1 Chain TM2, III' 1 'Glycine Receptor alpha-1 Chain TM2, IV' stop_ loop_ _Biological_function 'ion channel-lining peptide' stop_ _Database_query_date . _Details ; The system actually contains different oligomeric states in micelles, predominantly tetra- and pentamers, as has been proven by SDS-PAGE. ; save_ ######################## # Monomeric polymers # ######################## save_GlyR_TM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human Neuronal Glycine Receptor alpha-1 Chain TM2' _Abbreviation_common 'GlyR TM2' _Molecular_mass 2801.25 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; APARVGLGITTVLTMTTQSS GSRASLPK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 ALA 2 -2 PRO 3 -1 ALA 4 0 ARG 5 1 VAL 6 2 GLY 7 3 LEU 8 4 GLY 9 5 ILE 10 6 THR 11 7 THR 12 8 VAL 13 9 LEU 14 10 THR 15 11 MET 16 12 THR 17 13 THR 18 14 GLN 19 15 SER 20 16 SER 21 17 GLY 22 18 SER 23 19 ARG 24 20 ALA 25 21 SER 26 22 LEU 27 23 PRO 28 24 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4432 GlyR_alpha1_M2_wild_type 82.14 23 100.00 100.00 5.26e-05 PDB 1MOT "Nmr Structure Of Extended Second Transmembrane Domain Of Glycine Receptor Alpha1 Subunit In Sds Micelles" 100.00 28 100.00 100.00 1.29e-08 DBJ BAA00707 "glycine receptor alpha 1 precursor [Rattus norvegicus]" 100.00 449 100.00 100.00 8.48e-09 DBJ BAC39521 "unnamed protein product [Mus musculus]" 100.00 343 100.00 100.00 5.14e-08 DBJ BAG35580 "unnamed protein product [Homo sapiens]" 100.00 449 100.00 100.00 8.48e-09 EMBL CAA06711 "glycine receptor, alphaZ1 subunit [Danio rerio]" 100.00 444 100.00 100.00 8.37e-09 EMBL CAA36258 "inhibitory glycine receptor [Homo sapiens]" 100.00 449 100.00 100.00 8.48e-09 EMBL CAA38987 "inhibitory glycine receptor alpha-1 subunit [Rattus norvegicus]" 100.00 457 100.00 100.00 8.65e-09 EMBL CAA53468 "glycine receptor subunit alpha 4 [Mus musculus]" 100.00 337 100.00 100.00 7.29e-09 EMBL CAA68378 "glycine receptor strychnine binding subunit [Rattus norvegicus]" 100.00 427 100.00 100.00 7.99e-09 GB AAB32157 "inhibitory glycine receptor alpha 1 subunit short form [Mus sp.]" 100.00 449 100.00 100.00 8.48e-09 GB AAB32158 "inhibitory glycine receptor alpha 1 subunit long form [Mus sp.]" 100.00 457 100.00 100.00 8.65e-09 GB AAG14346 "glycine receptor alpha 1 subunit [Bos taurus]" 100.00 457 100.00 100.00 8.65e-09 GB AAG41140 "glycine receptor alpha 1 subunit isoform b [Bos taurus]" 100.00 449 100.00 100.00 8.48e-09 GB AAG41141 "glycine receptor alpha 1 subunit isoform a [Bos taurus]" 100.00 457 100.00 100.00 8.65e-09 PRF 1309300A "Gly receptor" 100.00 427 100.00 100.00 7.99e-09 REF NP_000162 "glycine receptor subunit alpha-1 isoform 2 precursor [Homo sapiens]" 100.00 449 100.00 100.00 8.48e-09 REF NP_001019623 "glycine receptor subunit alpha-4 isoform 1 precursor [Homo sapiens]" 100.00 417 100.00 100.00 3.49e-08 REF NP_001092519 "glycine receptor subunit alpha-4 precursor [Bos taurus]" 100.00 342 100.00 100.00 4.03e-08 REF NP_001139512 "glycine receptor subunit alpha-1 isoform 1 precursor [Homo sapiens]" 100.00 457 100.00 100.00 8.65e-09 REF NP_001165756 "glycine receptor subunit alpha-4 isoform 2 precursor [Homo sapiens]" 100.00 342 100.00 100.00 3.99e-08 SP O93430 "RecName: Full=Glycine receptor subunit alphaZ1; Flags: Precursor [Danio rerio]" 100.00 444 100.00 100.00 8.37e-09 SP P07727 "RecName: Full=Glycine receptor subunit alpha-1; AltName: Full=Glycine receptor 48 kDa subunit; AltName: Full=Glycine receptor s" 100.00 457 100.00 100.00 8.65e-09 SP P23415 "RecName: Full=Glycine receptor subunit alpha-1; AltName: Full=Glycine receptor 48 kDa subunit; AltName: Full=Glycine receptor s" 100.00 457 100.00 100.00 8.65e-09 SP P57695 "RecName: Full=Glycine receptor subunit alpha-1; AltName: Full=Glycine receptor 48 kDa subunit; AltName: Full=Glycine receptor s" 100.00 457 100.00 100.00 8.65e-09 SP Q5JXX5 "RecName: Full=Glycine receptor subunit alpha-4; Flags: Precursor [Homo sapiens]" 100.00 417 100.00 100.00 3.49e-08 TPG DAA13089 "TPA: hypothetical protein LOC531678 [Bos taurus]" 100.00 342 100.00 100.00 4.03e-08 TPG DAA27256 "TPA: glycine receptor subunit alpha-1 precursor [Bos taurus]" 100.00 457 100.00 100.00 8.65e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GlyR_TM2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $GlyR_TM2 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)pLysS plasmid pGEX-3X stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GlyR_TM2 2 mM [U-15N] 'sodium dodecyl sulfate' 300 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'NMR data processing' stop_ _Details ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293 (1995). ; save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.581 loop_ _Task 'structure calculation' 'structure refinement' stop_ _Details ; Brunger A.T. 1992. X-PLOR: A system for X-ray crystallography and NMR. Version 3.581. New Haven: Yale university press. ; save_ save_Sparky _Saveframe_category software _Name Sparky _Version . loop_ _Task 'NMR data analysis' stop_ _Details ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco. ; save_ save_Modelfree _Saveframe_category software _Name Modelfree _Version . loop_ _Task 'NMR backbone dynamics calculation' stop_ _Details ; Mandel A.M., Akke M., Palmer A.G. III. J. Mol. Biol. 246, 144-163 (1995). ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label . save_ save_15N_T1_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label . save_ save_15N_T2_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label . save_ save_15N_Het-NOE_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N Het-NOE' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N Het-NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 n/a temperature 303 1 K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Glycine Receptor alpha-1 Chain TM2, I' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ALA H H 8.876 0.02 1 2 . 1 ALA HA H 4.374 0.02 1 3 . 1 ALA HB H 1.548 0.02 1 4 . 2 PRO HA H 4.54 0.02 1 5 . 2 PRO HB2 H 2.52 0.02 2 6 . 2 PRO HB3 H 1.98 0.02 2 7 . 2 PRO HG2 H 2.1 0.02 2 8 . 2 PRO HD2 H 3.45 0.02 2 9 . 3 ALA N N 125.5 0.2 1 10 . 3 ALA H H 8.48 0.02 1 11 . 3 ALA HA H 4.24 0.02 1 12 . 3 ALA HB H 1.48 0.02 1 13 . 4 ARG N N 116 0.2 1 14 . 4 ARG H H 8.23 0.02 1 15 . 4 ARG HA H 4.26 0.02 1 16 . 4 ARG HB2 H 1.91 0.02 2 17 . 4 ARG HB3 H 1.77 0.02 2 18 . 4 ARG HD2 H 3.21 0.02 2 19 . 4 ARG HG2 H 1.63 0.02 2 20 . 4 ARG HE H 7.13 0.02 1 21 . 5 VAL N N 117.3 0.2 1 22 . 5 VAL H H 7.61 0.02 1 23 . 5 VAL HA H 3.92 0.02 1 24 . 5 VAL HB H 2.2 0.02 1 25 . 5 VAL HG1 H 1.03 0.02 2 26 . 5 VAL HG2 H 0.97 0.02 2 27 . 6 GLY N N 108.6 0.2 1 28 . 6 GLY H H 8.17 0.02 1 29 . 6 GLY HA3 H 3.86 0.02 2 30 . 6 GLY HA2 H 4.04 0.02 2 31 . 7 LEU N N 121.3 0.2 1 32 . 7 LEU H H 7.91 0.02 1 33 . 7 LEU HA H 4.23 0.02 1 34 . 7 LEU HB2 H 1.72 0.02 2 35 . 7 LEU HB3 H 1.68 0.02 2 36 . 7 LEU HD1 H 0.92 0.02 2 37 . 8 GLY N N 108.9 0.2 1 38 . 8 GLY H H 8.38 0.02 1 39 . 8 GLY HA2 H 3.87 0.02 2 40 . 9 ILE N N 120.8 0.2 1 41 . 9 ILE H H 8.3 0.02 1 42 . 9 ILE HA H 3.79 0.02 1 43 . 9 ILE HB H 2 0.02 1 44 . 9 ILE HG12 H 1.2 0.02 2 45 . 9 ILE HD1 H 0.91 0.02 1 46 . 9 ILE HG2 H 0.97 0.02 1 47 . 10 THR N N 113.2 0.2 1 48 . 10 THR H H 8.16 0.02 1 49 . 10 THR HA H 3.95 0.02 1 50 . 10 THR HB H 4.32 0.02 1 51 . 10 THR HG2 H 1.29 0.02 1 52 . 11 THR N N 119.1 0.2 1 53 . 11 THR H H 8.05 0.02 1 54 . 11 THR HB H 4.4 0.02 1 55 . 11 THR HA H 4 0.02 1 56 . 11 THR HG2 H 1.25 0.02 1 57 . 12 VAL N N 120.9 0.2 1 58 . 12 VAL H H 7.98 0.02 1 59 . 12 VAL HA H 3.8 0.02 1 60 . 12 VAL HB H 2.2 0.02 1 61 . 12 VAL HG1 H 1.08 0.02 2 62 . 12 VAL HG2 H 0.98 0.02 2 63 . 13 LEU N N 119.4 0.2 1 64 . 13 LEU H H 8.35 0.02 1 65 . 13 LEU HA H 4.21 0.02 1 66 . 13 LEU HB2 H 1.85 0.02 2 67 . 13 LEU HG H 1.6 0.02 1 68 . 13 LEU HD1 H 0.9 0.02 2 69 . 14 THR N N 113.9 0.2 1 70 . 14 THR H H 8.11 0.02 1 71 . 14 THR HA H 4.12 0.02 1 72 . 14 THR HB H 4.33 0.02 1 73 . 14 THR HG2 H 1.29 0.02 1 74 . 15 MET N N 120 0.2 1 75 . 15 MET H H 7.99 0.02 1 76 . 15 MET HA H 4.37 0.02 1 77 . 15 MET HB2 H 2.25 0.02 2 78 . 15 MET HG2 H 2.66 0.02 2 79 . 15 MET HG3 H 2.72 0.02 2 80 . 16 THR N N 110.4 0.2 1 81 . 16 THR H H 7.98 0.02 1 82 . 16 THR HA H 4.34 0.02 1 83 . 16 THR HB H 4.34 0.02 1 84 . 16 THR HG2 H 1.29 0.02 1 85 . 17 THR N N 113.3 0.2 1 86 . 17 THR H H 7.92 0.02 1 87 . 17 THR HA H 4.4 0.02 1 88 . 17 THR HB H 4.4 0.02 1 89 . 17 THR HG2 H 1.29 0.02 1 90 . 18 GLN N N 120.2 0.2 1 91 . 18 GLN H H 8.06 0.02 1 92 . 18 GLN HA H 4.39 0.02 1 93 . 18 GLN HB2 H 2.07 0.02 2 94 . 18 GLN HG2 H 2.43 0.02 2 95 . 18 GLN HE21 H 6.8 0.02 2 96 . 19 SER N N 115 0.2 1 97 . 19 SER H H 8.04 0.02 1 98 . 19 SER HA H 4.51 0.02 1 99 . 19 SER HB2 H 3.98 0.02 2 100 . 20 SER N N 117 0.2 1 101 . 20 SER H H 8.29 0.02 1 102 . 20 SER HB2 H 3.96 0.02 2 103 . 20 SER HA H 4.5 0.02 1 104 . 21 GLY N N 110.8 0.2 1 105 . 21 GLY H H 8.36 0.02 1 106 . 21 GLY HA2 H 4.04 0.02 2 107 . 22 SER N N 115.1 0.2 1 108 . 22 SER H H 8.13 0.02 1 109 . 22 SER HB2 H 3.9 0.02 2 110 . 22 SER HA H 4.5 0.02 1 111 . 23 ARG N N 121.5 0.2 1 112 . 23 ARG H H 8.25 0.02 1 113 . 23 ARG HA H 4.32 0.02 1 114 . 23 ARG HB2 H 1.82 0.02 2 115 . 23 ARG HB3 H 1.9 0.02 2 116 . 23 ARG HG2 H 1.7 0.02 2 117 . 23 ARG HD2 H 3.2 0.02 2 118 . 23 ARG HE H 7.16 0.02 1 119 . 24 ALA N N 122.7 0.2 1 120 . 24 ALA H H 8.02 0.02 1 121 . 24 ALA HA H 4.33 0.02 1 122 . 24 ALA HB H 1.38 0.02 1 123 . 25 SER N N 112.7 0.2 1 124 . 25 SER H H 7.85 0.02 1 125 . 25 SER HA H 4.54 0.02 1 126 . 25 SER HB2 H 3.86 0.02 2 127 . 26 LEU N N 126.9 0.2 1 128 . 26 LEU H H 7.9 0.02 1 129 . 26 LEU HA H 4.2 0.02 1 130 . 26 LEU HB2 H 1.63 0.02 2 131 . 26 LEU HB3 H 1.76 0.02 2 132 . 26 LEU HG H 1.88 0.02 1 133 . 26 LEU HD1 H 0.904 0.02 2 134 . 27 PRO HA H 4.47 0.02 1 135 . 27 PRO HB2 H 2.05 0.02 2 136 . 27 PRO HG2 H 2.26 0.02 2 137 . 27 PRO HD2 H 3.6 0.02 2 138 . 28 LYS N N 124.5 0.2 1 139 . 28 LYS H H 7.77 0.02 1 140 . 28 LYS HA H 4.23 0.02 1 141 . 28 LYS HB2 H 1.86 0.02 2 142 . 28 LYS HB3 H 1.84 0.02 2 143 . 28 LYS HG2 H 1.4 0.02 2 144 . 28 LYS HD2 H 1.69 0.02 2 145 . 28 LYS HE2 H 3.02 0.02 2 146 . 28 LYS HZ H 7.43 0.02 2 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'Glycine Receptor alpha-1 Chain TM2, I' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 ALA H 3 ALA HA 5.80 . . 0.5 2 3JHNHA 4 ARG H 4 ARG HA 6.90 . . 0.5 3 3JHNHA 5 VAL H 5 VAL HA 7.04 . . 0.5 4 3JHNHA 6 GLY H 6 GLY HA 5.74 . . 0.5 5 3JHNHA 7 LEU H 7 LEU HA 7.16 . . 0.5 6 3JHNHA 9 ILE H 9 ILE HA 5.42 . . 0.5 7 3JHNHA 10 THR H 10 THR HA 5.49 . . 0.5 8 3JHNHA 11 THR H 11 THR HA 5.51 . . 0.5 9 3JHNHA 12 VAL H 12 VAL HA 5.93 . . 0.5 10 3JHNHA 13 LEU H 13 LEU HA 5.54 . . 0.5 11 3JHNHA 14 THR H 14 THR HA 6.05 . . 0.5 12 3JHNHA 17 THR H 17 THR HA 7.54 . . 0.5 13 3JHNHA 18 GLN H 18 GLN HA 5.68 . . 0.5 14 3JHNHA 19 SER H 19 SER HA 4.79 . . 0.5 15 3JHNHA 20 SER H 20 SER HA 6.33 . . 0.5 16 3JHNHA 22 SER H 22 SER HA 5.96 . . 0.5 17 3JHNHA 23 ARG H 23 ARG HA 5.89 . . 0.5 18 3JHNHA 25 SER H 25 SER HA 7.35 . . 0.5 19 3JHNHA 26 LEU H 26 LEU HA 6.86 . . 0.5 stop_ save_