data_17330 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of GIP in micellular media ; _BMRB_accession_number 17330 _BMRB_flat_file_name bmr17330.str _Entry_type new _Submission_date 2010-12-01 _Accession_date 2010-12-01 _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 Venneti Kalyana C. . 2 Alana Inigo . . 3 O'Harte Finbarr P.M. . 4 Malthouse Paul J.G . 5 Hewage Chandralal M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 243 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17331 'Solution structure of GIP in bicellular media' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conformational, receptor interaction and alanine scan studies of glucose-dependent insulinotropic polypeptide.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21539943 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Venneti Kalyana C. . 2 Malthouse 'J. Paul G' . . 3 Hewage Finbarr P.M. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1814 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 882 _Page_last 888 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GIP $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GIP _Molecular_mass 4990.634 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; YAEGTFISDYSIAMDKIHQQ DFVNWLLAQKGKKNDWKHNI TQ ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 ALA 3 GLU 4 GLY 5 THR 6 PHE 7 ILE 8 SER 9 ASP 10 TYR 11 SER 12 ILE 13 ALA 14 MET 15 ASP 16 LYS 17 ILE 18 HIS 19 GLN 20 GLN 21 ASP 22 PHE 23 VAL 24 ASN 25 TRP 26 LEU 27 LEU 28 ALA 29 GLN 30 LYS 31 GLY 32 LYS 33 LYS 34 ASN 35 ASP 36 TRP 37 LYS 38 HIS 39 ASN 40 ILE 41 THR 42 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 17331 entity 100.00 42 100.00 100.00 1.24e-21 PDB 1T5Q "Solution Structure Of Gip(1-30)amide In TfeWATER" 71.43 30 100.00 100.00 3.40e-12 PDB 2B4N "Solution Structure Of Glucose-Dependent Insulinotropic Polypeptide" 100.00 42 100.00 100.00 1.24e-21 PDB 2L70 "Nmr Solution Structure Of Gip In Micellular Media" 100.00 42 100.00 100.00 1.24e-21 PDB 2L71 "Nmr Solution Structure Of Gip In Bicellular Media" 100.00 42 100.00 100.00 1.24e-21 PDB 2OBU "Solution Structure Of Gip In TfeWATER" 100.00 42 100.00 100.00 1.24e-21 PDB 2QKH "Crystal Structure Of The Extracellular Domain Of Human Gip Receptor In Complex With The Hormone Gip" 100.00 42 100.00 100.00 1.24e-21 GB AAA53192 "gastric inhibitory polypeptide precursor [Homo sapiens]" 100.00 153 100.00 100.00 1.97e-23 GB AAA88043 "gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 1.97e-23 GB AAH69100 "Gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 1.72e-23 GB AAH69663 "Gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 1.97e-23 GB AAH69686 "Gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 1.97e-23 REF NP_004114 "gastric inhibitory polypeptide preproprotein [Homo sapiens]" 100.00 153 100.00 100.00 1.97e-23 REF XP_001091383 "PREDICTED: gastric inhibitory polypeptide [Macaca mulatta]" 100.00 153 100.00 100.00 1.72e-23 REF XP_001172671 "PREDICTED: gastric inhibitory polypeptide [Pan troglodytes]" 100.00 153 100.00 100.00 1.99e-23 REF XP_002806900 "PREDICTED: LOW QUALITY PROTEIN: gastric inhibitory polypeptide [Callithrix jacchus]" 100.00 151 100.00 100.00 1.12e-23 REF XP_003278797 "PREDICTED: gastric inhibitory polypeptide [Nomascus leucogenys]" 100.00 153 100.00 100.00 1.05e-23 SP P09681 "RecName: Full=Gastric inhibitory polypeptide; Short=GIP; AltName: Full=Glucose-dependent insulinotropic polypeptide; AltName: F" 100.00 153 100.00 100.00 1.97e-23 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DHPC 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _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_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 3.9 . pH 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 _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1 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_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D DQF-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GIP _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 1 TYR H H 8.506 0.000 1 2 1 1 TYR HA H 4.205 0.000 1 3 1 1 TYR HB2 H 3.149 0.001 2 4 1 1 TYR HB3 H 3.079 0.001 2 5 1 1 TYR HD1 H 7.149 0.001 3 6 1 1 TYR HD2 H 7.149 0.001 3 7 1 1 TYR HE1 H 6.853 0.000 3 8 1 1 TYR HE2 H 6.853 0.000 3 9 2 2 ALA H H 8.489 0.001 1 10 2 2 ALA HA H 4.354 0.000 1 11 2 2 ALA HB H 1.362 0.000 . 12 3 3 GLU H H 8.490 0.002 1 13 3 3 GLU HA H 4.255 0.001 1 14 3 3 GLU HB2 H 2.088 0.000 2 15 3 3 GLU HB3 H 2.017 0.001 2 16 3 3 GLU HG2 H 2.406 0.001 2 17 3 3 GLU HG3 H 2.406 0.001 2 18 4 4 GLY H H 8.495 0.001 1 19 4 4 GLY HA2 H 4.011 0.003 . 20 4 4 GLY HA3 H 3.946 0.000 2 21 5 5 THR H H 7.854 0.002 1 22 5 5 THR HA H 4.290 0.001 1 23 5 5 THR HB H 4.160 0.002 1 24 5 5 THR HG2 H 1.113 0.001 . 25 6 6 PHE H H 8.273 0.001 1 26 6 6 PHE HA H 4.578 0.001 1 27 6 6 PHE HB2 H 3.134 0.001 2 28 6 6 PHE HB3 H 3.097 0.001 2 29 6 6 PHE HD1 H 7.237 0.002 3 30 6 6 PHE HD2 H 7.237 0.002 3 31 6 6 PHE HE1 H 7.175 0.000 3 32 6 6 PHE HE2 H 7.175 0.000 3 33 7 7 ILE H H 7.900 0.002 1 34 7 7 ILE HA H 4.004 0.001 1 35 7 7 ILE HB H 1.811 0.000 1 36 7 7 ILE HG12 H 1.447 0.002 2 37 7 7 ILE HG13 H 1.121 0.002 2 38 7 7 ILE HG2 H 0.840 0.001 . 39 7 7 ILE HD1 H 0.819 0.000 . 40 8 8 SER H H 8.038 0.002 1 41 8 8 SER HA H 4.324 0.000 1 42 8 8 SER HB2 H 3.897 0.004 2 43 8 8 SER HB3 H 3.817 0.001 2 44 9 9 ASP H H 8.184 0.002 1 45 9 9 ASP HA H 4.544 0.000 1 46 9 9 ASP HB2 H 2.666 0.000 2 47 9 9 ASP HB3 H 2.643 0.001 2 48 10 10 TYR H H 8.092 0.002 1 49 10 10 TYR HA H 4.342 0.002 1 50 10 10 TYR HB2 H 3.018 0.002 2 51 10 10 TYR HB3 H 2.853 0.001 2 52 10 10 TYR HD1 H 7.006 0.003 3 53 10 10 TYR HD2 H 7.006 0.003 3 54 10 10 TYR HE1 H 6.760 0.002 3 55 10 10 TYR HE2 H 6.760 0.002 3 56 11 11 SER H H 8.019 0.001 1 57 11 11 SER HA H 4.212 0.003 1 58 11 11 SER HB2 H 3.908 0.001 2 59 11 11 SER HB3 H 3.860 0.002 2 60 12 12 ILE H H 7.775 0.002 1 61 12 12 ILE HA H 4.027 0.002 1 62 12 12 ILE HB H 1.854 0.002 1 63 12 12 ILE HG12 H 1.528 0.002 2 64 12 12 ILE HG13 H 1.158 0.002 2 65 12 12 ILE HG2 H 0.863 0.000 . 66 12 12 ILE HD1 H 0.836 0.002 . 67 13 13 ALA H H 7.870 0.002 1 68 13 13 ALA HA H 4.174 0.002 1 69 13 13 ALA HB H 1.345 0.001 . 70 14 14 MET H H 8.015 0.001 1 71 14 14 MET HA H 4.315 0.001 1 72 14 14 MET HB2 H 2.005 0.001 2 73 14 14 MET HB3 H 2.005 0.001 2 74 14 14 MET HG2 H 2.522 0.002 2 75 14 14 MET HG3 H 2.405 0.000 2 76 15 15 ASP H H 8.061 0.001 1 77 15 15 ASP HA H 4.548 0.000 1 78 15 15 ASP HB2 H 2.905 0.002 2 79 15 15 ASP HB3 H 2.795 0.000 2 80 16 16 LYS H H 8.013 0.001 1 81 16 16 LYS HA H 4.135 0.002 1 82 16 16 LYS HB2 H 1.847 0.001 2 83 16 16 LYS HB3 H 1.847 0.001 2 84 16 16 LYS HG2 H 1.486 0.000 2 85 16 16 LYS HG3 H 1.440 0.000 2 86 17 17 ILE H H 7.633 0.002 1 87 17 17 ILE HA H 3.935 0.002 1 88 17 17 ILE HB H 1.841 0.003 1 89 17 17 ILE HG12 H 1.442 0.000 2 90 17 17 ILE HG13 H 1.142 0.001 2 91 17 17 ILE HG2 H 0.745 0.002 . 92 18 18 HIS H H 8.303 0.002 1 93 18 18 HIS HA H 4.769 0.002 1 94 18 18 HIS HB2 H 3.440 0.001 2 95 18 18 HIS HB3 H 3.226 0.001 2 96 18 18 HIS HD2 H 7.387 0.002 1 97 19 19 GLN H H 8.619 0.003 1 98 19 19 GLN HA H 4.183 0.003 1 99 19 19 GLN HB2 H 2.230 0.002 2 100 19 19 GLN HB3 H 2.230 0.002 2 101 19 19 GLN HG2 H 2.509 0.004 2 102 19 19 GLN HG3 H 2.370 0.002 2 103 19 19 GLN HE21 H 7.344 0.001 2 104 19 19 GLN HE22 H 6.798 0.001 2 105 20 20 GLN H H 8.621 0.002 1 106 20 20 GLN HA H 4.079 0.002 1 107 20 20 GLN HB2 H 2.198 0.002 2 108 20 20 GLN HB3 H 2.128 0.001 2 109 20 20 GLN HG2 H 2.458 0.002 2 110 20 20 GLN HG3 H 2.458 0.002 2 111 20 20 GLN HE21 H 7.478 0.000 2 112 20 20 GLN HE22 H 6.826 0.002 2 113 21 21 ASP H H 8.119 0.002 1 114 21 21 ASP HA H 4.587 0.001 1 115 21 21 ASP HB2 H 2.924 0.001 2 116 21 21 ASP HB3 H 2.770 0.001 2 117 22 22 PHE H H 8.099 0.001 1 118 22 22 PHE HA H 4.483 0.002 1 119 22 22 PHE HB2 H 3.307 0.002 2 120 22 22 PHE HB3 H 3.260 0.001 2 121 22 22 PHE HD1 H 7.215 0.002 3 122 22 22 PHE HD2 H 7.215 0.002 3 123 22 22 PHE HE1 H 7.185 0.001 3 124 22 22 PHE HE2 H 7.185 0.001 3 125 23 23 VAL H H 8.287 0.002 1 126 23 23 VAL HA H 3.445 0.003 1 127 23 23 VAL HB H 2.201 0.002 1 128 23 23 VAL HG1 H 1.143 0.001 . 129 23 23 VAL HG2 H 0.977 0.002 . 130 24 24 ASN H H 8.371 0.001 1 131 24 24 ASN HA H 4.451 0.002 1 132 24 24 ASN HB2 H 2.992 0.002 2 133 24 24 ASN HB3 H 2.825 0.002 2 134 24 24 ASN HD21 H 7.743 0.001 2 135 24 24 ASN HD22 H 6.897 0.002 2 136 25 25 TRP H H 8.086 0.002 1 137 25 25 TRP HA H 4.222 0.002 1 138 25 25 TRP HB2 H 3.562 0.001 2 139 25 25 TRP HB3 H 3.309 0.001 2 140 25 25 TRP HD1 H 7.286 0.001 1 141 25 25 TRP HE1 H 10.239 0.002 1 142 25 25 TRP HE3 H 7.251 0.003 1 143 25 25 TRP HZ2 H 7.385 0.003 1 144 25 25 TRP HZ3 H 6.834 0.002 1 145 25 25 TRP HH2 H 7.009 0.002 1 146 26 26 LEU H H 8.379 0.002 1 147 26 26 LEU HA H 3.441 0.001 1 148 26 26 LEU HB2 H 1.698 0.002 2 149 26 26 LEU HB3 H 1.444 0.002 2 150 26 26 LEU HG H 1.573 0.002 1 151 26 26 LEU HD1 H 0.810 0.002 . 152 26 26 LEU HD2 H 0.724 0.001 . 153 27 27 LEU H H 8.254 0.002 1 154 27 27 LEU HA H 3.930 0.002 1 155 27 27 LEU HB2 H 1.847 0.003 2 156 27 27 LEU HB3 H 1.847 0.003 2 157 27 27 LEU HG H 1.500 0.003 1 158 27 27 LEU HD1 H 0.891 0.001 . 159 27 27 LEU HD2 H 0.826 0.001 . 160 28 28 ALA H H 7.614 0.002 1 161 28 28 ALA HA H 4.158 0.002 1 162 28 28 ALA HB H 1.402 0.002 . 163 29 29 GLN H H 7.642 0.002 1 164 29 29 GLN HA H 3.935 0.002 1 165 29 29 GLN HB2 H 1.943 0.001 2 166 29 29 GLN HB3 H 1.683 0.000 2 167 29 29 GLN HG2 H 1.859 0.001 2 168 29 29 GLN HG3 H 1.859 0.001 2 169 29 29 GLN HE21 H 6.337 0.003 2 170 29 29 GLN HE22 H 6.285 0.003 2 171 30 30 LYS H H 7.655 0.001 1 172 30 30 LYS HA H 4.094 0.001 1 173 30 30 LYS HB2 H 1.855 0.002 2 174 30 30 LYS HB3 H 1.747 0.001 2 175 30 30 LYS HG2 H 1.438 0.000 2 176 30 30 LYS HG3 H 1.438 0.000 2 177 30 30 LYS HD2 H 1.686 0.000 2 178 30 30 LYS HD3 H 1.686 0.000 2 179 31 31 GLY H H 8.105 0.001 1 180 31 31 GLY HA2 H 3.933 0.001 . 181 31 31 GLY HA3 H 3.901 0.002 2 182 32 32 LYS H H 7.801 0.002 1 183 32 32 LYS HA H 4.290 0.000 1 184 32 32 LYS HB2 H 1.829 0.002 2 185 32 32 LYS HB3 H 1.741 0.002 2 186 32 32 LYS HG2 H 1.420 0.000 2 187 32 32 LYS HG3 H 1.420 0.000 2 188 32 32 LYS HD2 H 1.352 0.000 2 189 32 32 LYS HD3 H 1.352 0.000 2 190 33 33 LYS H H 8.117 0.002 1 191 33 33 LYS HA H 4.218 0.002 1 192 33 33 LYS HB2 H 1.797 0.003 2 193 33 33 LYS HB3 H 1.714 0.001 2 194 33 33 LYS HG2 H 1.404 0.000 2 195 33 33 LYS HG3 H 1.350 0.000 2 196 34 34 ASN H H 8.281 0.001 1 197 34 34 ASN HA H 4.613 0.000 1 198 34 34 ASN HB2 H 2.635 0.001 2 199 34 34 ASN HB3 H 2.635 0.001 2 200 34 34 ASN HD21 H 7.434 0.001 2 201 34 34 ASN HD22 H 6.771 0.002 2 202 35 35 ASP H H 8.168 0.002 1 203 35 35 ASP HA H 4.614 0.001 1 204 35 35 ASP HB2 H 2.673 0.002 2 205 35 35 ASP HB3 H 2.621 0.002 2 206 36 36 TRP H H 7.974 0.002 1 207 36 36 TRP HA H 4.574 0.000 1 208 36 36 TRP HB2 H 3.286 0.001 2 209 36 36 TRP HB3 H 3.286 0.001 2 210 36 36 TRP HD1 H 7.295 0.002 1 211 36 36 TRP HE1 H 10.215 0.000 1 212 36 36 TRP HE3 H 7.572 0.001 1 213 36 36 TRP HZ2 H 7.458 0.002 1 214 36 36 TRP HZ3 H 7.073 0.000 1 215 36 36 TRP HH2 H 7.149 0.000 1 216 37 37 LYS H H 7.860 0.002 1 217 37 37 LYS HA H 4.067 0.001 1 218 37 37 LYS HB2 H 1.500 0.001 2 219 37 37 LYS HB3 H 1.500 0.001 2 220 37 37 LYS HG2 H 1.054 0.002 2 221 37 37 LYS HG3 H 1.054 0.002 2 222 37 37 LYS HD2 H 1.601 0.002 2 223 37 37 LYS HD3 H 1.601 0.002 2 224 38 38 HIS H H 8.094 0.002 1 225 38 38 HIS HA H 4.602 0.001 1 226 38 38 HIS HB2 H 3.090 0.002 2 227 38 38 HIS HB3 H 3.090 0.002 2 228 39 39 ASN H H 8.349 0.002 1 229 39 39 ASN HA H 4.700 0.000 1 230 39 39 ASN HB2 H 2.729 0.002 2 231 39 39 ASN HB3 H 2.729 0.002 2 232 39 39 ASN HD21 H 6.863 0.001 2 233 39 39 ASN HD22 H 7.515 0.000 2 234 40 40 ILE H H 8.068 0.003 1 235 40 40 ILE HA H 4.261 0.000 1 236 40 40 ILE HB H 1.927 0.004 1 237 40 40 ILE HG12 H 1.469 0.001 2 238 40 40 ILE HG13 H 1.190 0.001 2 239 40 40 ILE HG2 H 0.913 0.001 . 240 41 41 THR H H 8.088 0.002 1 241 41 41 THR HA H 4.372 0.000 1 242 42 42 GLN H H 7.952 0.002 1 243 42 42 GLN HA H 4.198 0.000 1 stop_ save_