data_17001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ASIP(80-132, P103A, P105A, Q115Y, S124Y) ; _BMRB_accession_number 17001 _BMRB_flat_file_name bmr17001.str _Entry_type new _Submission_date 2010-06-14 _Accession_date 2010-06-14 _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 Patel Mira P. . 2 'Cribb Fabersunne' Camila S. . 3 Yang Ying-kui . . 4 Kaelin Chris B. . 5 Barsh Gregory S. . 6 Millhauser Glenn L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 255 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-09 update BMRB 'update entry citation' 2010-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_MC1R_Selectivity_and_Antagonism _Saveframe_category entry_citation _Citation_full . _Citation_title 'Loop-swapped chimeras of the agouti-related protein and the agouti signaling protein identify contacts required for melanocortin 1 receptor selectivity and antagonism.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20831872 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Patel Mira P. . 2 'Cribb Fabersunne' Camila S. . 3 Yang Ying-Kui . . 4 Kaelin Christopher B. . 5 Barsh Gregory S. . 6 Millhauser Glenn L. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 404 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45 _Page_last 55 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ASIP(80-132,_P103A,_P105A,_Q115Y,_S124Y) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ASIP(80-132,_P103A,_P105A,_Q115Y,_S124Y) $ASIP_80-132_P103A_P105A_Q115Y_S124Y stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ASIP_80-132_P103A_P105A_Q115Y_S124Y _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ASIP(80-132,_P103A,_P105A,_Q115Y,_S124Y) _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; KKVVRPRTPLSAPCVATRNS CKPAAAACCDPCASCYCRFF RSACYCRVLSLNC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 80 LYS 2 81 LYS 3 82 VAL 4 83 VAL 5 84 ARG 6 85 PRO 7 86 ARG 8 87 THR 9 88 PRO 10 89 LEU 11 90 SER 12 91 ALA 13 92 PRO 14 93 CYS 15 94 VAL 16 95 ALA 17 96 THR 18 97 ARG 19 98 ASN 20 99 SER 21 100 CYS 22 101 LYS 23 102 PRO 24 103 ALA 25 104 ALA 26 105 ALA 27 106 ALA 28 107 CYS 29 108 CYS 30 109 ASP 31 110 PRO 32 111 CYS 33 112 ALA 34 113 SER 35 114 CYS 36 115 TYR 37 116 CYS 38 117 ARG 39 118 PHE 40 119 PHE 41 120 ARG 42 121 SER 43 122 ALA 44 123 CYS 45 124 TYR 46 125 CYS 47 126 ARG 48 127 VAL 49 128 LEU 50 129 SER 51 130 LEU 52 131 ASN 53 132 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 17086 ASIP(93-126,_P103A,_P105A,_P111A,_Q115Y,_S124Y) 64.15 34 97.06 97.06 1.63e-03 PDB 2KZA "Solution Structure Of Asip(80-132, P103a, P105a, Q115y, S124y)" 100.00 53 100.00 100.00 3.14e-26 PDB 2L1J "1h Assignments For Asip(93-126, P103a, P105a, P111a, Q115y, S124y)" 64.15 34 97.06 97.06 1.63e-03 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $ASIP_80-132_P103A_P105A_Q115Y_S124Y . . . . . . 'synthetic peptide based on human sequence' 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 $ASIP_80-132_P103A_P105A_Q115Y_S124Y 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'samples was brought to pH 5 using NaOD' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASIP_80-132_P103A_P105A_Q115Y_S124Y 1-2 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'acetic acid' 50 mM '[U-100% 2H]' 'sodium azide' .1 '% w/v' 'natural abundance' TSP 200 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Deuterium Exchange Experiments, samples was brought to pH 4 using NaOD' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASIP_80-132_P103A_P105A_Q115Y_S124Y 1-2 mM 'natural abundance' D2O 100 % '[U-100% 2H]' 'acetic acid' 50 mM '[U-100% 2H]' 'sodium azide' .1 '% w/v' 'natural abundance' TSP 200 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 5 . pH pressure 1 . atm stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 4 . pH pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 . H 1 . ppm . . . . . . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CYANA $NMRDraw $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H TOCSY' '2D DQF-COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ASIP(80-132,_P103A,_P105A,_Q115Y,_S124Y) _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 80 1 LYS H H 8.196 0.003 1 2 80 1 LYS HA H 4.168 0.003 1 3 80 1 LYS HB2 H 1.703 0.001 2 4 80 1 LYS HB3 H 1.703 0.001 2 5 80 1 LYS HG2 H 1.629 0.008 2 6 80 1 LYS HG3 H 1.629 0.008 2 7 82 3 VAL H H 8.216 0.004 1 8 82 3 VAL HA H 4.024 0.003 1 9 82 3 VAL HB H 1.933 0.011 1 10 82 3 VAL HG1 H 0.821 0.000 . 11 82 3 VAL HG2 H 0.862 0.000 . 12 83 4 VAL H H 8.336 0.006 1 13 83 4 VAL HA H 4.030 0.009 1 14 83 4 VAL HB H 1.934 0.003 1 15 83 4 VAL HG1 H 0.819 0.000 . 16 83 4 VAL HG2 H 0.856 0.001 . 17 84 5 ARG H H 8.443 0.005 1 18 84 5 ARG HA H 4.575 0.001 1 19 84 5 ARG HB2 H 1.780 0.004 2 20 84 5 ARG HB3 H 1.655 0.003 2 21 84 5 ARG HG2 H 1.578 0.004 2 22 84 5 ARG HG3 H 1.612 0.007 2 23 85 6 PRO HA H 4.357 0.004 1 24 85 6 PRO HB2 H 1.836 0.003 2 25 85 6 PRO HB3 H 2.228 0.008 2 26 86 7 ARG H H 8.474 0.004 1 27 86 7 ARG HA H 4.262 0.005 1 28 86 7 ARG HB2 H 1.709 0.002 2 29 86 7 ARG HB3 H 1.767 0.006 2 30 86 7 ARG HG2 H 1.557 0.016 2 31 86 7 ARG HG3 H 1.615 0.006 2 32 87 8 THR H H 8.186 0.005 1 33 87 8 THR HA H 4.353 0.004 1 34 87 8 THR HB H 3.773 0.006 1 35 87 8 THR HG2 H 1.296 0.005 . 36 88 9 PRO HA H 4.345 0.006 1 37 88 9 PRO HB2 H 1.840 0.007 2 38 88 9 PRO HB3 H 2.245 0.008 2 39 89 10 LEU H H 8.278 0.005 1 40 89 10 LEU HA H 4.273 0.003 1 41 89 10 LEU HB2 H 1.575 0.003 2 42 89 10 LEU HB3 H 1.575 0.003 2 43 89 10 LEU HD1 H 0.827 0.004 . 44 89 10 LEU HD2 H 0.867 0.000 . 45 89 10 LEU HG H 1.534 0.007 1 46 90 11 SER H H 8.205 0.009 1 47 91 12 ALA H H 8.178 0.003 1 48 91 12 ALA HA H 4.545 0.006 1 49 91 12 ALA HB H 1.177 0.005 . 50 92 13 PRO HA H 4.398 0.009 1 51 92 13 PRO HB2 H 1.858 0.006 2 52 92 13 PRO HB3 H 2.239 0.003 2 53 93 14 CYS H H 8.135 0.004 1 54 93 14 CYS HA H 4.963 0.006 1 55 93 14 CYS HB2 H 2.908 0.007 2 56 93 14 CYS HB3 H 3.004 0.027 2 57 94 15 VAL H H 9.042 0.005 1 58 94 15 VAL HA H 3.989 0.004 1 59 94 15 VAL HB H 1.964 0.009 1 60 94 15 VAL HG1 H 0.893 0.005 . 61 94 15 VAL HG2 H 0.842 0.007 . 62 95 16 ALA H H 8.980 0.005 1 63 95 16 ALA HA H 4.110 0.003 1 64 95 16 ALA HB H 1.360 0.005 . 65 96 17 THR H H 8.779 0.002 1 66 96 17 THR HA H 3.499 0.003 1 67 96 17 THR HB H 3.889 0.004 1 68 96 17 THR HG2 H 1.259 0.001 . 69 97 18 ARG H H 9.174 0.003 1 70 97 18 ARG HA H 3.784 0.006 1 71 97 18 ARG HB2 H 1.969 0.010 2 72 97 18 ARG HB3 H 1.969 0.010 2 73 97 18 ARG HD2 H 2.385 0.005 2 74 97 18 ARG HD3 H 2.385 0.005 2 75 97 18 ARG HE H 7.116 0.006 1 76 97 18 ARG HG2 H 1.619 0.008 2 77 97 18 ARG HG3 H 1.619 0.008 2 78 98 19 ASN H H 8.247 0.003 1 79 98 19 ASN HA H 5.030 0.004 1 80 98 19 ASN HB2 H 2.894 0.006 2 81 98 19 ASN HB3 H 3.211 0.004 2 82 98 19 ASN HD21 H 7.010 0.003 2 83 98 19 ASN HD22 H 7.408 0.003 2 84 99 20 SER H H 8.429 0.002 1 85 99 20 SER HA H 4.661 0.006 1 86 99 20 SER HB2 H 3.628 0.003 2 87 99 20 SER HB3 H 3.758 0.003 2 88 100 21 CYS H H 7.818 0.003 1 89 100 21 CYS HA H 5.048 0.005 1 90 100 21 CYS HB2 H 3.056 0.004 2 91 100 21 CYS HB3 H 3.253 0.003 2 92 101 22 LYS H H 8.953 0.007 1 93 101 22 LYS HA H 4.723 0.000 1 94 101 22 LYS HB2 H 1.694 0.004 2 95 101 22 LYS HB3 H 1.694 0.004 2 96 101 22 LYS HD2 H 1.513 0.006 2 97 101 22 LYS HD3 H 1.513 0.006 2 98 101 22 LYS HE2 H 2.909 0.007 2 99 101 22 LYS HE3 H 2.909 0.007 2 100 101 22 LYS HG2 H 1.392 0.001 2 101 101 22 LYS HG3 H 1.392 0.001 2 102 102 23 PRO HA H 3.957 0.006 1 103 102 23 PRO HB2 H 1.947 0.006 2 104 102 23 PRO HB3 H 2.210 0.002 2 105 103 24 ALA H H 8.436 0.003 1 106 103 24 ALA HA H 4.129 0.007 1 107 103 24 ALA HB H 1.392 0.001 . 108 104 25 ALA H H 7.555 0.003 1 109 104 25 ALA HA H 4.575 0.003 1 110 104 25 ALA HB H 1.389 0.003 . 111 105 26 ALA H H 7.426 0.004 1 112 105 26 ALA HA H 4.098 0.005 1 113 105 26 ALA HB H 1.245 0.005 . 114 106 27 ALA H H 8.300 0.005 1 115 106 27 ALA HA H 4.172 0.003 1 116 106 27 ALA HB H 1.338 0.006 . 117 107 28 CYS H H 8.683 0.003 1 118 107 28 CYS HA H 4.914 0.008 1 119 107 28 CYS HB2 H 2.311 0.004 2 120 107 28 CYS HB3 H 3.603 0.007 2 121 108 29 CYS H H 9.492 0.004 1 122 108 29 CYS HA H 4.162 0.003 1 123 108 29 CYS HB2 H 2.575 0.006 2 124 108 29 CYS HB3 H 3.110 0.004 2 125 109 30 ASP H H 8.327 0.005 1 126 109 30 ASP HA H 4.279 0.002 1 127 110 31 PRO HA H 3.899 0.004 1 128 110 31 PRO HB2 H 2.323 0.005 2 129 110 31 PRO HB3 H 2.598 0.006 2 130 111 32 CYS H H 9.053 0.005 1 131 111 32 CYS HA H 4.650 0.000 1 132 111 32 CYS HB2 H 2.901 0.004 2 133 111 32 CYS HB3 H 3.367 0.002 2 134 112 33 ALA H H 8.424 0.002 1 135 112 33 ALA HA H 4.986 0.004 1 136 112 33 ALA HB H 1.284 0.005 . 137 113 34 SER H H 8.552 0.002 1 138 113 34 SER HA H 4.618 0.009 1 139 113 34 SER HB2 H 3.659 0.005 2 140 113 34 SER HB3 H 3.709 0.003 2 141 114 35 CYS H H 9.007 0.007 1 142 114 35 CYS HA H 4.528 0.006 1 143 114 35 CYS HB2 H 2.698 0.006 2 144 114 35 CYS HB3 H 2.904 0.005 2 145 115 36 TYR H H 8.674 0.003 1 146 115 36 TYR HA H 4.534 0.012 1 147 115 36 TYR HB2 H 2.681 0.007 2 148 115 36 TYR HB3 H 2.739 0.007 2 149 115 36 TYR HD1 H 6.853 0.003 3 150 115 36 TYR HD2 H 6.853 0.003 3 151 115 36 TYR HE1 H 6.674 0.006 3 152 115 36 TYR HE2 H 6.674 0.006 3 153 116 37 CYS H H 8.201 0.003 1 154 116 37 CYS HA H 4.526 0.004 1 155 116 37 CYS HB2 H 2.519 0.008 2 156 116 37 CYS HB3 H 3.085 0.008 2 157 117 38 ARG H H 8.056 0.002 1 158 117 38 ARG HA H 3.656 0.005 1 159 117 38 ARG HB2 H 1.439 0.007 2 160 117 38 ARG HB3 H 1.475 0.007 2 161 117 38 ARG HD2 H 1.609 0.006 2 162 117 38 ARG HD3 H 1.609 0.006 2 163 117 38 ARG HE H 7.135 0.004 1 164 117 38 ARG HG2 H 1.100 0.004 2 165 117 38 ARG HG3 H 1.100 0.004 2 166 118 39 PHE H H 7.831 0.003 1 167 118 39 PHE HA H 4.717 0.004 1 168 118 39 PHE HB2 H 2.707 0.004 2 169 118 39 PHE HB3 H 3.133 0.005 2 170 118 39 PHE HD1 H 7.168 0.007 3 171 118 39 PHE HD2 H 7.168 0.007 3 172 118 39 PHE HE1 H 7.663 0.003 3 173 118 39 PHE HE2 H 7.663 0.003 3 174 119 40 PHE H H 8.492 0.003 1 175 119 40 PHE HA H 4.309 0.006 1 176 119 40 PHE HB2 H 3.039 0.009 2 177 119 40 PHE HB3 H 3.097 0.009 2 178 119 40 PHE HD1 H 7.186 0.005 3 179 119 40 PHE HD2 H 7.186 0.005 3 180 119 40 PHE HE1 H 7.601 0.000 3 181 119 40 PHE HE2 H 7.601 0.000 3 182 120 41 ARG H H 8.559 0.006 1 183 120 41 ARG HA H 3.913 0.006 1 184 120 41 ARG HB2 H 1.522 0.004 2 185 120 41 ARG HB3 H 1.837 0.005 2 186 120 41 ARG HD2 H 2.915 0.005 2 187 120 41 ARG HD3 H 2.915 0.005 2 188 120 41 ARG HE H 7.014 0.003 1 189 120 41 ARG HG2 H 0.860 0.005 2 190 120 41 ARG HG3 H 1.092 0.005 2 191 121 42 SER H H 7.689 0.005 1 192 121 42 SER HA H 4.516 0.004 1 193 121 42 SER HB2 H 3.667 0.005 2 194 121 42 SER HB3 H 3.791 0.003 2 195 122 43 ALA H H 8.375 0.005 1 196 122 43 ALA HA H 4.175 0.003 1 197 122 43 ALA HB H 1.483 0.001 . 198 123 44 CYS H H 8.312 0.002 1 199 123 44 CYS HA H 5.550 0.002 1 200 123 44 CYS HB2 H 2.508 0.008 2 201 123 44 CYS HB3 H 3.625 0.004 2 202 124 45 TYR H H 8.918 0.005 1 203 124 45 TYR HA H 5.153 0.002 1 204 124 45 TYR HB2 H 2.437 0.003 2 205 124 45 TYR HB3 H 2.700 0.003 2 206 124 45 TYR HD1 H 6.894 0.004 3 207 124 45 TYR HD2 H 6.894 0.004 3 208 124 45 TYR HE1 H 6.702 0.003 3 209 124 45 TYR HE2 H 6.702 0.003 3 210 125 46 CYS H H 8.130 0.003 1 211 125 46 CYS HA H 4.892 0.004 1 212 125 46 CYS HB2 H 2.632 0.003 2 213 125 46 CYS HB3 H 3.049 0.005 2 214 126 47 ARG H H 9.295 0.003 1 215 126 47 ARG HA H 4.534 0.001 1 216 126 47 ARG HB2 H 1.488 0.010 2 217 126 47 ARG HB3 H 1.636 0.006 2 218 126 47 ARG HD2 H 2.362 0.006 2 219 126 47 ARG HD3 H 2.736 0.004 2 220 126 47 ARG HE H 6.997 0.003 1 221 126 47 ARG HG2 H 1.258 0.004 2 222 126 47 ARG HG3 H 1.285 0.006 2 223 127 48 VAL H H 9.001 0.004 1 224 127 48 VAL HA H 3.998 0.003 1 225 127 48 VAL HB H 1.921 0.011 1 226 127 48 VAL HG1 H 0.786 0.003 . 227 127 48 VAL HG2 H 0.786 0.003 . 228 128 49 LEU H H 8.361 0.006 1 229 128 49 LEU HA H 4.322 0.005 1 230 128 49 LEU HB2 H 1.607 0.007 2 231 128 49 LEU HB3 H 1.607 0.007 2 232 128 49 LEU HD1 H 0.740 0.008 . 233 128 49 LEU HD2 H 0.556 0.002 . 234 128 49 LEU HG H 1.399 0.008 1 235 129 50 SER H H 7.864 0.002 1 236 129 50 SER HA H 4.458 0.004 1 237 129 50 SER HB2 H 3.707 0.002 2 238 129 50 SER HB3 H 3.780 0.004 2 239 130 51 LEU H H 8.354 0.006 1 240 130 51 LEU HA H 4.202 0.002 1 241 130 51 LEU HB2 H 1.554 0.007 2 242 130 51 LEU HB3 H 1.554 0.007 2 243 130 51 LEU HD1 H 0.781 0.003 . 244 130 51 LEU HD2 H 0.781 0.003 . 245 130 51 LEU HG H 1.481 0.004 1 246 131 52 ASN H H 8.253 0.003 1 247 131 52 ASN HA H 4.611 0.004 1 248 131 52 ASN HB2 H 2.789 0.005 2 249 131 52 ASN HB3 H 2.669 0.005 2 250 131 52 ASN HD21 H 6.861 0.001 2 251 131 52 ASN HD22 H 7.509 0.002 2 252 132 53 CYS H H 7.908 0.003 1 253 132 53 CYS HA H 4.469 0.002 1 254 132 53 CYS HB2 H 3.057 0.007 2 255 132 53 CYS HB3 H 3.122 0.010 2 stop_ save_