data_6681 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure Of GIP In TFE/Water ; _BMRB_accession_number 6681 _BMRB_flat_file_name bmr6681.str _Entry_type original _Submission_date 2005-06-09 _Accession_date 2005-06-30 _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 Alana I. . . 2 Parker J. C. . 3 Hewage C. M. . 4 Malthouse J. P.G. . 5 Flatt P. R. . 6 Gault V. A. . 7 O'Harte F. P.M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-28 original author . stop_ _Original_release_date 2005-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the glucose-dependent insulinotropic polypeptide fragment, GIP(1-30)amide ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15522230 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alana I. . . 2 Hewage C. M. . 3 Malthouse J. P.G. . 4 Parker J. C. . 5 Gault V. A. . 6 O'Harte F. P.M. . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 325 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 281 _Page_last 286 _Year 2005 _Details . loop_ _Keyword GIP NMR 'Molecular Modelling' Helix Diabetes Obesity stop_ save_ ################################## # Molecular system description # ################################## save_system_GIP _Saveframe_category molecular_system _Mol_system_name 'Gastric inhibitory polypeptide' _Abbreviation_common GIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Gastric inhibitory polypeptide' $GIP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GIP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Gastric inhibitory polypeptide' _Abbreviation_common GIP _Molecular_mass . _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 2015-01-28 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 17330 GIP 100.00 42 100.00 100.00 1.26e-21 BMRB 17331 entity 100.00 42 100.00 100.00 1.26e-21 BMRB 6245 GIP 69.05 30 100.00 100.00 1.82e-11 PDB 1T5Q "Solution Structure Of Gip(1-30)amide In TfeWATER" 71.43 30 100.00 100.00 3.45e-12 PDB 2B4N "Solution Structure Of Glucose-Dependent Insulinotropic Polypeptide" 100.00 42 100.00 100.00 1.26e-21 PDB 2L70 "Nmr Solution Structure Of Gip In Micellular Media" 100.00 42 100.00 100.00 1.26e-21 PDB 2L71 "Nmr Solution Structure Of Gip In Bicellular Media" 100.00 42 100.00 100.00 1.26e-21 PDB 2OBU "Solution Structure Of Gip In TfeWATER" 100.00 42 100.00 100.00 1.26e-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 1.26e-21 GB AAA53192 "gastric inhibitory polypeptide precursor [Homo sapiens]" 100.00 153 100.00 100.00 2.00e-23 GB AAA88043 "gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 2.00e-23 GB AAH69100 "Gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 1.74e-23 GB AAH69663 "Gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 2.00e-23 GB AAH69686 "Gastric inhibitory polypeptide [Homo sapiens]" 100.00 153 100.00 100.00 2.00e-23 REF NP_004114 "gastric inhibitory polypeptide preproprotein [Homo sapiens]" 100.00 153 100.00 100.00 2.00e-23 REF XP_001091383 "PREDICTED: gastric inhibitory polypeptide [Macaca mulatta]" 100.00 153 100.00 100.00 1.74e-23 REF XP_001172671 "PREDICTED: gastric inhibitory polypeptide [Pan troglodytes]" 100.00 153 100.00 100.00 2.02e-23 REF XP_002806900 "PREDICTED: LOW QUALITY PROTEIN: gastric inhibitory polypeptide [Callithrix jacchus]" 100.00 151 100.00 100.00 1.13e-23 REF XP_002916897 "PREDICTED: LOW QUALITY PROTEIN: gastric inhibitory polypeptide-like [Ailuropoda melanoleuca]" 100.00 146 97.62 97.62 1.43e-21 SP P09681 "RecName: Full=Gastric inhibitory polypeptide; Short=GIP; AltName: Full=Glucose-dependent insulinotropic polypeptide; AltName: F" 100.00 153 100.00 100.00 2.00e-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 $GIP 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 _Details $GIP 'chemical synthesis' . . . . . ; The sample used was sequentially synthesised using a standard solid-phase Fmoc procedure. ; 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 $GIP 2 mM . TFE-d3 50 % . H2O 50 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.110 loop_ _Vendor _Address _Electronic_address 'Goddard and Kneller.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Vendor _Address _Electronic_address Guentert . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SYBYL _Saveframe_category software _Name SYBYL _Version 6.8.1 loop_ _Vendor _Address _Electronic_address Tripos . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _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 '2D NOESY' _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 3.0 . pH temperature 298 . K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; All spectra were referenced internally to the residual 1H signal of F3CCDHOD, resonating at 3.98 ppm and TSP at 0 ppm where necessary. ; 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 F3CCDHOD H 1 'methylene proton' ppm 3.98 internal . . . . 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_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 'Gastric inhibitory polypeptide' _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 TYR HA H 4.276 0.001 1 2 . 1 TYR HB2 H 3.294 0.002 1 3 . 1 TYR HB3 H 3.152 0.001 1 4 . 2 ALA H H 8.517 0.002 1 5 . 2 ALA HA H 4.458 0.001 1 6 . 2 ALA HB H 1.496 0.001 1 7 . 3 GLU H H 8.418 0.001 1 8 . 3 GLU HA H 4.386 0.001 1 9 . 3 GLU HB2 H 2.212 0.000 1 10 . 3 GLU HB3 H 2.151 0.000 1 11 . 3 GLU HG2 H 2.593 0.000 1 12 . 3 GLU HG3 H 2.593 0.000 1 13 . 4 GLY H H 8.410 0.002 1 14 . 4 GLY HA2 H 4.076 0.001 1 15 . 4 GLY HA3 H 4.016 0.002 1 16 . 5 THR H H 7.854 0.001 1 17 . 5 THR HA H 4.290 0.001 1 18 . 5 THR HG2 H 1.273 0.000 1 19 . 6 PHE H H 8.065 0.000 1 20 . 6 PHE HA H 4.503 0.001 1 21 . 6 PHE HB2 H 3.242 0.001 1 22 . 6 PHE HB3 H 3.242 0.001 1 23 . 6 PHE HZ H 7.077 0.002 1 24 . 7 ILE H H 7.927 0.001 1 25 . 7 ILE HA H 3.947 0.001 1 26 . 7 ILE HB H 1.934 0.001 1 27 . 7 ILE HG12 H 1.681 0.001 1 28 . 7 ILE HG13 H 1.309 0.000 1 29 . 7 ILE HG2 H 1.005 0.002 1 30 . 7 ILE HD1 H 0.963 0.001 1 31 . 8 SER H H 8.052 0.001 1 32 . 8 SER HA H 4.358 0.001 1 33 . 8 SER HB2 H 4.103 0.002 1 34 . 8 SER HB3 H 4.011 0.001 1 35 . 9 ASP H H 8.354 0.001 1 36 . 9 ASP HA H 4.547 0.002 1 37 . 9 ASP HB2 H 3.033 0.001 1 38 . 9 ASP HB3 H 2.881 0.004 1 39 . 10 TYR H H 8.460 0.001 1 40 . 10 TYR HA H 4.228 0.001 1 41 . 10 TYR HB2 H 3.009 0.002 1 42 . 10 TYR HB3 H 2.929 0.001 1 43 . 11 SER H H 8.169 0.001 1 44 . 11 SER HA H 4.118 0.001 1 45 . 11 SER HB2 H 4.170 0.003 1 46 . 11 SER HB3 H 4.036 0.001 1 47 . 12 ILE H H 7.941 0.002 1 48 . 12 ILE HA H 3.892 0.001 1 49 . 12 ILE HB H 2.032 0.000 1 50 . 12 ILE HG12 H 1.844 0.000 1 51 . 12 ILE HG13 H 1.257 0.000 1 52 . 12 ILE HG2 H 1.010 0.001 1 53 . 12 ILE HD1 H 0.951 0.001 1 54 . 13 ALA H H 8.029 0.001 1 55 . 13 ALA HA H 4.072 0.002 1 56 . 13 ALA HB H 1.507 0.000 1 57 . 14 MET H H 8.358 0.002 1 58 . 14 MET HA H 4.315 0.001 1 59 . 14 MET HB2 H 2.201 0.001 1 60 . 14 MET HB3 H 2.160 0.001 1 61 . 14 MET HG2 H 2.471 0.001 1 62 . 14 MET HG3 H 2.471 0.001 1 63 . 14 MET HE H 1.829 0.000 1 64 . 15 ASP H H 8.282 0.001 1 65 . 15 ASP HA H 4.541 0.004 1 66 . 15 ASP HB2 H 3.276 0.001 1 67 . 15 ASP HB3 H 2.989 0.003 1 68 . 16 LYS H H 8.462 0.001 1 69 . 16 LYS HA H 4.158 0.001 1 70 . 16 LYS HB2 H 2.153 0.001 1 71 . 16 LYS HB3 H 2.029 0.000 1 72 . 16 LYS HG2 H 1.589 0.000 1 73 . 16 LYS HG3 H 1.589 0.000 1 74 . 16 LYS HD2 H 1.751 0.003 1 75 . 16 LYS HD3 H 1.751 0.003 1 76 . 17 ILE H H 8.508 0.001 1 77 . 17 ILE HA H 3.832 0.001 1 78 . 17 ILE HB H 1.974 0.001 1 79 . 17 ILE HG12 H 1.835 0.001 1 80 . 17 ILE HG13 H 1.212 0.001 1 81 . 17 ILE HG2 H 0.962 0.000 1 82 . 17 ILE HD1 H 0.908 0.001 1 83 . 18 HIS H H 8.433 0.001 1 84 . 18 HIS HA H 4.534 0.003 1 85 . 18 HIS HB2 H 3.502 0.001 1 86 . 18 HIS HB3 H 3.454 0.003 1 87 . 18 HIS HD2 H 7.364 0.000 1 88 . 19 GLN H H 8.471 0.001 1 89 . 19 GLN HA H 4.237 0.002 1 90 . 19 GLN HB2 H 2.401 0.001 1 91 . 19 GLN HB3 H 2.364 0.001 1 92 . 19 GLN HG2 H 2.673 0.000 1 93 . 19 GLN HG3 H 2.459 0.001 1 94 . 19 GLN HE21 H 7.018 0.000 1 95 . 19 GLN HE22 H 6.609 0.000 1 96 . 20 GLN H H 8.401 0.001 1 97 . 20 GLN HA H 4.126 0.002 1 98 . 20 GLN HB2 H 2.363 0.000 1 99 . 20 GLN HB3 H 2.301 0.006 1 100 . 20 GLN HG2 H 2.567 0.002 1 101 . 20 GLN HG3 H 2.514 0.001 1 102 . 20 GLN HE21 H 7.344 0.001 1 103 . 20 GLN HE22 H 6.547 0.000 1 104 . 21 ASP H H 8.671 0.001 1 105 . 21 ASP HA H 4.624 0.000 1 106 . 21 ASP HB2 H 3.241 0.002 1 107 . 21 ASP HB3 H 2.972 0.001 1 108 . 22 PHE H H 8.340 0.001 1 109 . 22 PHE HA H 4.533 0.001 1 110 . 22 PHE HB2 H 3.393 0.003 1 111 . 22 PHE HB3 H 3.267 0.001 1 112 . 23 VAL H H 8.524 0.001 1 113 . 23 VAL HA H 3.611 0.002 1 114 . 23 VAL HB H 2.283 0.001 1 115 . 23 VAL HG1 H 1.280 0.001 1 116 . 23 VAL HG2 H 1.073 0.001 1 117 . 24 ASN H H 8.422 0.001 1 118 . 24 ASN HA H 4.497 0.003 1 119 . 24 ASN HB2 H 3.144 0.000 1 120 . 24 ASN HB3 H 2.877 0.002 1 121 . 24 ASN HD21 H 7.581 0.001 1 122 . 24 ASN HD22 H 6.705 0.001 1 123 . 25 TRP H H 8.241 0.001 1 124 . 25 TRP HA H 4.296 0.001 1 125 . 25 TRP HB2 H 3.741 0.001 1 126 . 25 TRP HB3 H 3.371 0.001 1 127 . 25 TRP HD1 H 7.220 0.002 1 128 . 25 TRP HE1 H 9.778 0.000 1 129 . 25 TRP HE3 H 7.391 0.001 1 130 . 25 TRP HZ2 H 7.440 0.002 1 131 . 25 TRP HZ3 H 7.093 0.001 1 132 . 25 TRP HH2 H 7.228 0.001 1 133 . 26 LEU H H 8.695 0.001 1 134 . 26 LEU HA H 3.602 0.002 1 135 . 26 LEU HB2 H 1.762 0.000 1 136 . 26 LEU HB3 H 1.762 0.000 1 137 . 26 LEU HG H 1.557 0.006 1 138 . 26 LEU HD1 H 0.905 0.000 1 139 . 26 LEU HD2 H 0.857 0.000 1 140 . 27 LEU H H 8.674 0.001 1 141 . 27 LEU HA H 4.008 0.002 1 142 . 27 LEU HB2 H 1.987 0.001 1 143 . 27 LEU HB3 H 1.987 0.001 1 144 . 27 LEU HG H 1.498 0.002 1 145 . 27 LEU HD1 H 0.952 0.001 1 146 . 27 LEU HD2 H 0.893 0.000 1 147 . 28 ALA H H 7.968 0.001 1 148 . 28 ALA HA H 4.162 0.000 1 149 . 28 ALA HB H 1.509 0.001 1 150 . 29 GLN H H 7.841 0.002 1 151 . 29 GLN HA H 3.933 0.001 1 152 . 29 GLN HB2 H 1.848 0.001 1 153 . 29 GLN HB3 H 1.848 0.001 1 154 . 29 GLN HG2 H 1.972 0.002 1 155 . 29 GLN HG3 H 1.972 0.002 1 156 . 29 GLN HE21 H 5.960 0.001 1 157 . 29 GLN HE22 H 5.889 0.000 1 158 . 30 LYS H H 8.034 0.001 1 159 . 30 LYS HA H 4.108 0.001 1 160 . 30 LYS HB2 H 1.933 0.000 1 161 . 30 LYS HB3 H 1.933 0.000 1 162 . 31 GLY H H 8.150 0.001 1 163 . 31 GLY HA2 H 4.006 0.004 1 164 . 31 GLY HA3 H 3.908 0.003 1 165 . 32 LYS H H 7.775 0.001 1 166 . 32 LYS HA H 4.281 0.002 1 167 . 32 LYS HB2 H 1.927 0.000 1 168 . 32 LYS HB3 H 1.893 0.000 1 169 . 32 LYS HG2 H 1.570 0.000 1 170 . 32 LYS HG3 H 1.570 0.000 1 171 . 32 LYS HD2 H 1.481 0.001 1 172 . 32 LYS HD3 H 1.481 0.001 1 173 . 33 LYS H H 8.006 0.001 1 174 . 33 LYS HA H 4.279 0.000 1 175 . 33 LYS HB2 H 1.928 0.001 1 176 . 33 LYS HB3 H 1.863 0.001 1 177 . 33 LYS HG2 H 1.537 0.001 1 178 . 33 LYS HG3 H 1.537 0.001 1 179 . 33 LYS HD2 H 1.473 0.000 1 180 . 33 LYS HD3 H 1.473 0.000 1 181 . 34 ASN H H 8.158 0.002 1 182 . 34 ASN HA H 4.719 0.001 1 183 . 34 ASN HB2 H 2.787 0.000 1 184 . 34 ASN HB3 H 2.760 0.001 1 185 . 34 ASN HD21 H 7.434 0.000 1 186 . 34 ASN HD22 H 6.729 0.000 1 187 . 35 ASP H H 8.199 0.002 1 188 . 35 ASP HA H 4.738 0.001 1 189 . 35 ASP HB2 H 2.941 0.005 1 190 . 35 ASP HB3 H 2.870 0.002 1 191 . 36 TRP H H 7.995 0.000 1 192 . 36 TRP HA H 4.620 0.001 1 193 . 36 TRP HB2 H 3.402 0.000 1 194 . 36 TRP HB3 H 3.402 0.000 1 195 . 36 TRP HD1 H 7.348 0.001 1 196 . 36 TRP HE1 H 9.979 0.001 1 197 . 36 TRP HE3 H 7.644 0.001 1 198 . 36 TRP HZ2 H 7.525 0.002 1 199 . 36 TRP HZ3 H 7.183 0.001 1 200 . 36 TRP HH2 H 7.267 0.001 1 201 . 37 LYS H H 7.811 0.000 1 202 . 37 LYS HA H 4.117 0.001 1 203 . 37 LYS HB2 H 1.598 0.001 1 204 . 37 LYS HB3 H 1.598 0.001 1 205 . 37 LYS HG2 H 1.151 0.001 1 206 . 37 LYS HG3 H 1.151 0.001 1 207 . 37 LYS HD2 H 1.729 0.002 1 208 . 37 LYS HD3 H 1.729 0.002 1 209 . 38 HIS H H 8.068 0.000 1 210 . 38 HIS HA H 4.638 0.001 1 211 . 38 HIS HB2 H 3.333 0.001 1 212 . 38 HIS HB3 H 3.195 0.001 1 213 . 38 HIS HD2 H 7.300 0.001 1 214 . 38 HIS HE1 H 8.571 0.000 1 215 . 39 ASN H H 8.293 0.001 1 216 . 39 ASN HA H 4.785 0.000 1 217 . 39 ASN HB2 H 2.905 0.001 1 218 . 39 ASN HB3 H 2.837 0.004 1 219 . 39 ASN HD21 H 7.485 0.000 1 220 . 39 ASN HD22 H 6.822 0.000 1 221 . 40 ILE H H 8.017 0.001 1 222 . 40 ILE HA H 4.294 0.001 1 223 . 40 ILE HB H 2.001 0.002 1 224 . 40 ILE HG12 H 1.547 0.000 1 225 . 40 ILE HG13 H 1.272 0.000 1 226 . 40 ILE HG2 H 0.991 0.000 1 227 . 40 ILE HD1 H 0.944 0.001 1 228 . 41 THR H H 7.937 0.000 1 229 . 41 THR HA H 4.435 0.001 1 230 . 41 THR HB H 4.330 0.000 1 231 . 41 THR HG2 H 1.291 0.000 1 232 . 42 GLN H H 8.063 0.000 1 233 . 42 GLN HA H 4.440 0.003 1 234 . 42 GLN HB2 H 2.263 0.005 1 235 . 42 GLN HB3 H 2.087 0.001 1 236 . 42 GLN HG2 H 2.419 0.000 1 237 . 42 GLN HG3 H 2.419 0.000 1 stop_ save_