data_5523 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational Features of Human Melanin-Concentrating Hormone: a NMR and Computational Analysis ; _BMRB_accession_number 5523 _BMRB_flat_file_name bmr5523.str _Entry_type original _Submission_date 2002-09-12 _Accession_date 2002-09-12 _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 Vitale 'Rosa Maria' . . 2 Zaccaro Laura . . 3 'Di Blasio' Benedetto . . 4 Fattorusso Roberto . . 5 Isernia Carla . . 6 Amodeo Pietro . . 7 Pedone Carlo . . 8 Saviano Michele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 coupling_constants 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 246 "coupling constants" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-12-27 original BMRB . stop_ _Original_release_date 2002-09-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Features of Human Melanin-Concentrating Hormone: a NMR and Computational Analysis ; _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vitale 'Rosa Maria' . . 2 Zaccaro Laura . . 3 'Di Blasio' Benedetto . . 4 Fattorusso Roberto . . 5 Isernia Carla . . 6 Amodeo Pietro . . 7 Pedone Carlo . . 8 Saviano Michele . . stop_ _Journal_abbreviation 'Chem. Biochem.' _Journal_name_full 'European Journal of Chemical Biology' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'MD simulation' NMR conformation 'human melanin-concentrating hormone' 'simulated annealing' stop_ save_ ################################## # Molecular system description # ################################## save_system_MCH _Saveframe_category molecular_system _Mol_system_name 'Melanin-Concentrating Hormone' _Abbreviation_common MCH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MCH $MCH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MCH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Melanin Concentrating Hormone' _Abbreviation_common MCH _Molecular_mass 2385 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence ; DFDMLRCMLGRVYRPCWQV ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 PHE 3 ASP 4 MET 5 LEU 6 ARG 7 CYS 8 MET 9 LEU 10 GLY 11 ARG 12 VAL 13 TYR 14 ARG 15 PRO 16 CYS 17 TRP 18 GLN 19 VAL stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MCH 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_name $MCH 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details water loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MCH 1.3 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MCH 1.3 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save_Experiment_1_1 _Saveframe_category NMR_applied_experiment _Experiment_name Experiment_1 _Sample_label . save_ ####################### # Sample conditions # ####################### save_experimental_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.5 0.2 n/a temperature 298 1 K 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 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_MCH1_wat _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label Experiment_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $experimental_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MCH _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 ASP HA H 4.19 0.01 1 2 . 1 ASP HB2 H 2.83 0.01 1 3 . 1 ASP HB3 H 2.77 0.01 1 4 . 2 PHE H H 8.71 0.01 1 5 . 2 PHE HA H 4.60 0.01 1 6 . 2 PHE HB2 H 3.08 0.01 1 7 . 2 PHE HB3 H 3.00 0.01 1 8 . 2 PHE HD1 H 7.12 0.01 1 9 . 2 PHE HD2 H 7.12 0.01 1 10 . 2 PHE HE1 H 6.73 0.01 1 11 . 2 PHE HE2 H 6.73 0.01 1 12 . 2 PHE HZ H 6.73 0.01 1 13 . 3 ASP H H 8.37 0.01 1 14 . 3 ASP HA H 4.57 0.01 1 15 . 3 ASP HB2 H 2.79 0.01 1 16 . 3 ASP HB3 H 2.70 0.01 1 17 . 4 MET H H 8.22 0.01 1 18 . 4 MET HA H 4.36 0.01 1 19 . 4 MET HB2 H 2.06 0.01 1 20 . 4 MET HB3 H 1.97 0.01 1 21 . 4 MET HG2 H 2.55 0.01 1 22 . 4 MET HG3 H 2.48 0.01 1 23 . 4 MET HE H 1.80 0.01 1 24 . 5 LEU H H 8.07 0.01 1 25 . 5 LEU HA H 4.32 0.01 1 26 . 5 LEU HB2 H 1.68 0.01 1 27 . 5 LEU HB3 H 1.68 0.01 1 28 . 5 LEU HG H 1.59 0.01 1 29 . 5 LEU HD1 H 0.88 0.01 1 30 . 5 LEU HD2 H 0.86 0.01 1 31 . 6 ARG H H 8.12 0.01 1 32 . 6 ARG HA H 4.44 0.01 1 33 . 6 ARG HB2 H 1.65 0.01 1 34 . 6 ARG HB3 H 1.65 0.01 1 35 . 6 ARG HG2 H 1.56 0.01 1 36 . 6 ARG HG3 H 1.45 0.01 1 37 . 6 ARG HD2 H 2.98 0.01 1 38 . 6 ARG HD3 H 2.98 0.01 1 39 . 6 ARG HE H 7.05 0.01 1 40 . 7 CYS H H 8.56 0.01 1 41 . 7 CYS HA H 4.68 0.01 1 42 . 7 CYS HB2 H 3.11 0.01 1 43 . 7 CYS HB3 H 2.92 0.01 1 44 . 8 MET H H 8.40 0.01 1 45 . 8 MET HA H 4.55 0.01 1 46 . 8 MET HB2 H 1.92 0.01 1 47 . 8 MET HB3 H 1.75 0.01 1 48 . 8 MET HG2 H 2.22 0.01 1 49 . 8 MET HG3 H 2.22 0.01 1 50 . 8 MET HE H 1.57 0.01 1 51 . 9 LEU H H 8.44 0.01 1 52 . 9 LEU HA H 4.42 0.01 1 53 . 9 LEU HB2 H 1.59 0.01 1 54 . 9 LEU HB3 H 1.42 0.01 1 55 . 9 LEU HG H 1.48 0.01 1 56 . 9 LEU HD1 H 0.85 0.01 1 57 . 9 LEU HD2 H 0.85 0.01 1 58 . 10 GLY H H 8.69 0.01 1 59 . 10 GLY HA2 H 3.72 0.01 1 60 . 10 GLY HA3 H 3.94 0.01 1 61 . 11 ARG H H 8.52 0.01 1 62 . 11 ARG HA H 4.22 0.01 1 63 . 11 ARG HB2 H 1.93 0.01 1 64 . 11 ARG HB3 H 1.74 0.01 1 65 . 11 ARG HG2 H 1.59 0.01 1 66 . 11 ARG HG3 H 1.59 0.01 1 67 . 11 ARG HD2 H 3.16 0.01 1 68 . 11 ARG HD3 H 3.16 0.01 1 69 . 11 ARG HE H 7.15 0.01 1 70 . 12 VAL H H 7.66 0.01 1 71 . 12 VAL HA H 4.21 0.01 1 72 . 12 VAL HB H 2.08 0.01 1 73 . 12 VAL HG1 H 0.86 0.01 1 74 . 12 VAL HG2 H 0.86 0.01 1 75 . 13 TYR H H 8.32 0.01 1 76 . 13 TYR HA H 4.73 0.01 1 77 . 13 TYR HB2 H 2.86 0.01 1 78 . 13 TYR HB3 H 2.86 0.01 1 79 . 13 TYR HD1 H 7.02 0.01 1 80 . 13 TYR HD2 H 7.02 0.01 1 81 . 13 TYR HE1 H 6.74 0.01 1 82 . 13 TYR HE2 H 6.74 0.01 1 83 . 14 ARG H H 8.27 0.01 1 84 . 14 ARG HA H 4.56 0.01 1 85 . 14 ARG HB2 H 1.72 0.01 1 86 . 14 ARG HB3 H 1.72 0.01 1 87 . 14 ARG HG2 H 1.53 0.01 1 88 . 14 ARG HG3 H 1.46 0.01 1 89 . 14 ARG HD2 H 3.08 0.01 1 90 . 14 ARG HD3 H 3.08 0.01 1 91 . 14 ARG HE H 7.06 0.01 1 92 . 15 PRO HA H 4.35 0.01 1 93 . 15 PRO HB2 H 2.08 0.01 1 94 . 15 PRO HB3 H 1.36 0.01 1 95 . 15 PRO HG2 H 1.89 0.01 1 96 . 15 PRO HG3 H 1.89 0.01 1 97 . 15 PRO HD2 H 3.60 0.01 1 98 . 15 PRO HD3 H 3.36 0.01 1 99 . 16 CYS H H 8.46 0.01 1 100 . 16 CYS HA H 4.44 0.01 1 101 . 16 CYS HB2 H 3.05 0.01 1 102 . 16 CYS HB3 H 2.90 0.01 1 103 . 17 TRP H H 7.85 0.01 1 104 . 17 TRP HA H 4.62 0.01 1 105 . 17 TRP HB2 H 3.31 0.01 1 106 . 17 TRP HB3 H 3.24 0.01 1 107 . 17 TRP HD1 H 7.24 0.01 1 108 . 17 TRP HE1 H 10.2 0.01 1 109 . 17 TRP HE3 H 7.56 0.01 1 110 . 17 TRP HZ2 H 7.46 0.01 1 111 . 17 TRP HZ3 H 7.11 0.01 1 112 . 17 TRP HH2 H 7.21 0.01 1 113 . 18 GLN H H 7.85 0.01 1 114 . 18 GLN HA H 4.25 0.01 1 115 . 18 GLN HB2 H 1.93 0.01 1 116 . 18 GLN HB3 H 1.66 0.01 1 117 . 18 GLN HG2 H 2.01 0.01 1 118 . 18 GLN HG3 H 1.89 0.01 1 119 . 19 VAL H H 7.86 0.01 1 120 . 19 VAL HA H 4.09 0.01 1 121 . 19 VAL HB H 2.13 0.01 1 122 . 19 VAL HG1 H 0.88 0.01 1 123 . 19 VAL HG2 H 0.88 0.01 1 stop_ save_ save_MCH2_cd3cn_wat _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label Experiment_1 stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $experimental_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MCH _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 ASP HA H 4.55 0.01 1 2 . 1 ASP HB2 H 3.00 0.01 1 3 . 1 ASP HB3 H 2.79 0.01 1 4 . 2 PHE H H 8.63 0.01 1 5 . 2 PHE HA H 4.53 0.01 1 6 . 2 PHE HB2 H 3.14 0.01 1 7 . 2 PHE HB3 H 3.14 0.01 1 8 . 2 PHE HD1 H 7.17 0.01 1 9 . 2 PHE HD2 H 7.17 0.01 1 10 . 2 PHE HE1 H 7.08 0.01 1 11 . 2 PHE HE2 H 7.08 0.01 1 12 . 2 PHE HZ H 7.08 0.01 1 13 . 3 ASP H H 8.12 0.01 1 14 . 3 ASP HA H 4.50 0.01 1 15 . 3 ASP HB2 H 2.72 0.01 1 16 . 3 ASP HB3 H 2.72 0.01 1 17 . 4 MET H H 8.10 0.01 1 18 . 4 MET HA H 4.3 0.01 1 19 . 4 MET HB2 H 2.05 0.01 1 20 . 4 MET HB3 H 2.05 0.01 1 21 . 4 MET HG2 H 2.59 0.01 1 22 . 4 MET HG3 H 2.52 0.01 1 23 . 4 MET HE H 1.68 0.01 1 24 . 5 LEU H H 7.80 0.01 1 25 . 5 LEU HA H 4.20 0.01 1 26 . 5 LEU HB2 H 1.66 0.01 1 27 . 5 LEU HB3 H 1.66 0.01 1 28 . 5 LEU HG H 1.33 0.01 1 29 . 5 LEU HD1 H 0.94 0.01 1 30 . 5 LEU HD2 H 0.89 0.01 1 31 . 6 ARG H H 7.87 0.01 1 32 . 6 ARG HA H 3.95 0.01 1 33 . 6 ARG HB2 H 1.72 0.01 1 34 . 6 ARG HB3 H 1.72 0.01 1 35 . 6 ARG HG2 H 1.62 0.01 1 36 . 6 ARG HG3 H 1.50 0.01 1 37 . 6 ARG HD2 H 3.07 0.01 1 38 . 6 ARG HD3 H 3.07 0.01 1 39 . 6 ARG HE H 7.23 0.01 1 40 . 7 CYS H H 8.00 0.01 1 41 . 7 CYS HA H 4.50 0.01 1 42 . 7 CYS HB2 H 3.18 0.01 1 43 . 7 CYS HB3 H 3.06 0.01 1 44 . 8 MET H H 8.09 0.01 1 45 . 8 MET HA H 4.40 0.01 1 46 . 8 MET HB2 H 2.06 0.01 1 47 . 8 MET HB3 H 2.06 0.01 1 48 . 8 MET HG2 H 2.59 0.01 1 49 . 8 MET HG3 H 2.49 0.01 1 50 . 8 MET HE H 1.72 0.01 1 51 . 9 LEU H H 7.99 0.01 1 52 . 9 LEU HA H 4.34 0.01 1 53 . 9 LEU HB2 H 1.70 0.01 1 54 . 9 LEU HB3 H 1.70 0.01 1 55 . 9 LEU HG H 1.62 0.01 1 56 . 9 LEU HD1 H 0.86 0.01 1 57 . 9 LEU HD2 H 0.86 0.01 1 58 . 10 GLY H H 7.96 0.01 1 59 . 10 GLY HA2 H 3.90 0.01 1 60 . 10 GLY HA3 H 3.90 0.01 1 61 . 11 ARG H H 7.92 0.01 1 62 . 11 ARG HA H 4.07 0.01 1 63 . 11 ARG HB2 H 1.88 0.01 1 64 . 11 ARG HB3 H 1.73 0.01 1 65 . 11 ARG HG2 H 1.58 0.01 1 66 . 11 ARG HG3 H 1.58 0.01 1 67 . 11 ARG HD2 H 3.16 0.01 1 68 . 11 ARG HD3 H 3.16 0.01 1 69 . 11 ARG HE H 7.17 0.01 1 70 . 12 VAL H H 7.54 0.01 1 71 . 12 VAL HA H 4.10 0.01 1 72 . 12 VAL HB H 2.01 0.01 1 73 . 12 VAL HG1 H 0.79 0.01 1 74 . 12 VAL HG2 H 0.79 0.01 1 75 . 13 TYR H H 7.88 0.01 1 76 . 13 TYR HA H 4.57 0.01 1 77 . 13 TYR HB2 H 2.98 0.01 1 78 . 13 TYR HB3 H 2.89 0.01 1 79 . 13 TYR HD1 H 7.08 0.01 1 80 . 13 TYR HD2 H 7.08 0.01 1 81 . 13 TYR HE1 H 6.76 0.01 1 82 . 13 TYR HE2 H 6.76 0.01 1 83 . 14 ARG H H 7.76 0.01 1 84 . 14 ARG HA H 4.44 0.01 1 85 . 14 ARG HB2 H 1.72 0.01 1 86 . 14 ARG HB3 H 1.72 0.01 1 87 . 14 ARG HG2 H 1.57 0.01 1 88 . 14 ARG HG3 H 1.46 0.01 1 89 . 14 ARG HD2 H 3.09 0.01 1 90 . 14 ARG HD3 H 3.09 0.01 1 91 . 14 ARG HE H 7.12 0.01 1 92 . 15 PRO HA H 4.3 0.01 1 93 . 15 PRO HB2 H 2.01 0.01 1 94 . 15 PRO HB3 H 1.46 0.01 1 95 . 15 PRO HG2 H 1.86 0.01 1 96 . 15 PRO HG3 H 1.86 0.01 1 97 . 15 PRO HD2 H 3.53 0.01 1 98 . 15 PRO HD3 H 3.36 0.01 1 99 . 16 CYS H H 8.18 0.01 1 100 . 16 CYS HA H 4.43 0.01 1 101 . 16 CYS HB2 H 3.02 0.01 1 102 . 16 CYS HB3 H 2.92 0.01 1 103 . 17 TRP H H 7.56 0.01 1 104 . 17 TRP HA H 4.65 0.01 1 105 . 17 TRP HB2 H 3.24 0.01 1 106 . 17 TRP HB3 H 3.24 0.01 1 107 . 17 TRP HD1 H 7.17 0.01 1 108 . 17 TRP HE1 H 10.0 0.01 1 109 . 17 TRP HE3 H 7.56 0.01 1 110 . 17 TRP HZ2 H 7.43 0.01 1 111 . 17 TRP HZ3 H 7.05 0.01 1 112 . 17 TRP HH2 H 7.16 0.01 1 113 . 18 GLN H H 7.72 0.01 1 114 . 18 GLN HA H 4.30 0.01 1 115 . 18 GLN HB2 H 1.97 0.01 1 116 . 18 GLN HB3 H 1.75 0.01 1 117 . 18 GLN HG2 H 2.14 0.01 1 118 . 18 GLN HG3 H 2.03 0.01 1 119 . 19 VAL H H 7.69 0.01 1 120 . 19 VAL HA H 4.14 0.01 1 121 . 19 VAL HB H 2.12 0.01 1 122 . 19 VAL HG1 H 0.93 0.01 1 123 . 19 VAL HG2 H 0.93 0.01 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_value_MCH1 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label Experiment_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $experimental_conditions _Spectrometer_frequency_1H . _Mol_system_component_name MCH _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 2 PHE H 2 PHE HA 6.8 . . 0.1 2 3JHNHA 3 ASP H 3 ASP HA 6.9 . . 0.1 3 3JHNHA 4 MET H 4 MET HA 6.3 . . 0.1 4 3JHNHA 5 LEU H 5 LEU HA 6.3 . . 0.1 5 3JHNHA 6 ARG H 6 ARG HA 6.9 . . 0.1 6 3JHNHA 7 CYS H 7 CYS HA 8.2 . . 0.1 7 3JHNHA 8 MET H 8 MET HA 8.0 . . 0.1 8 3JHNHA 9 LEU H 9 LEU HA 8.3 . . 0.1 9 3JHNHA 11 ARG H 11 ARG HA 7.0 . . 0.1 10 3JHNHA 12 VAL H 12 VAL HA 8.6 . . 0.1 11 3JHNHA 13 TYR H 13 TYR HA 6.1 . . 0.1 12 3JHNHA 14 ARG H 14 ARG HA 8.1 . . 0.1 13 3JHNHA 16 CYS H 16 CYS HA 6.9 . . 0.1 14 3JHNHA 17 TRP H 17 TRP HA 7.4 . . 0.1 15 3JHNHA 18 GLN H 18 GLN HA 7.4 . . 0.1 16 3JHNHA 19 VAL H 19 VAL HA 7.9 . . 0.1 stop_ save_ save_J_value_MCH2 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label Experiment_1 stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $experimental_conditions _Spectrometer_frequency_1H . _Mol_system_component_name MCH _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 2 PHE H 2 PHE HA 6.3 . . 0.1 2 3JHNHA 3 ASP H 3 ASP HA 6.0 . . 0.1 3 3JHNHA 4 MET H 4 MET HA 5.8 . . 0.1 4 3JHNHA 5 LEU H 5 LEU HA 5.9 . . 0.1 5 3JHNHA 6 ARG H 6 ARG HA 6.0 . . 0.1 6 3JHNHA 7 CYS H 7 CYS HA 6.4 . . 0.1 7 3JHNHA 8 MET H 8 MET HA 6.8 . . 0.1 8 3JHNHA 9 LEU H 9 LEU HA 6.9 . . 0.1 9 3JHNHA 11 ARG H 11 ARG HA 7.1 . . 0.1 10 3JHNHA 12 VAL H 12 VAL HA 8.4 . . 0.1 11 3JHNHA 13 TYR H 13 TYR HA 7.9 . . 0.1 12 3JHNHA 14 ARG H 14 ARG HA 6.5 . . 0.1 13 3JHNHA 16 CYS H 16 CYS HA 6.3 . . 0.1 14 3JHNHA 17 TRP H 17 TRP HA 7.8 . . 0.1 15 3JHNHA 18 GLN H 18 GLN HA 7.8 . . 0.1 16 3JHNHA 19 VAL H 19 VAL HA 8.4 . . 0.1 stop_ save_