data_19568 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; assignment of the transmembrane domain of insulin receptor in detergent micelles ; _BMRB_accession_number 19568 _BMRB_flat_file_name bmr19568.str _Entry_type original _Submission_date 2013-10-19 _Accession_date 2013-10-19 _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 Li Qingxin . . 2 Wong Yinglei . . 3 Kang Congbao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 98 "13C chemical shifts" 136 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-24 update BMRB 'update entry citation' 2014-02-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the transmembrane domain of the insulin receptor in detergent micelles.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24440425 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Qingxin . . 2 Wong 'Ying Lei' . . 3 Kang CongBao . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1838 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1313 _Page_last 1321 _Year 2014 _Details . loop_ _Keyword 'insulin receptor' 'membrane protein' micelles 'NMR assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ISUR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ISUR $ISU 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_ISU _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ISU _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; MTYFYVTDYLDVPSNIAKII IGPLIFVFLFSVVIGSIYLF LRKRQPDGPLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 TYR 4 PHE 5 TYR 6 VAL 7 THR 8 ASP 9 TYR 10 LEU 11 ASP 12 VAL 13 PRO 14 SER 15 ASN 16 ILE 17 ALA 18 LYS 19 ILE 20 ILE 21 ILE 22 GLY 23 PRO 24 LEU 25 ILE 26 PHE 27 VAL 28 PHE 29 LEU 30 PHE 31 SER 32 VAL 33 VAL 34 ILE 35 GLY 36 SER 37 ILE 38 TYR 39 LEU 40 PHE 41 LEU 42 ARG 43 LYS 44 ARG 45 GLN 46 PRO 47 ASP 48 GLY 49 PRO 50 LEU 51 GLU 52 HIS 53 HIS 54 HIS 55 HIS 56 HIS 57 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 PDB 2MFR "Solution Structure Of The Transmembrane Domain Of The Insulin Receptor In Micelles" 100.00 57 100.00 100.00 1.20e-31 DBJ BAD92098 "insulin receptor variant [Homo sapiens]" 85.96 833 100.00 100.00 7.97e-25 EMBL CAA26096 "unnamed protein product [Homo sapiens]" 85.96 1370 100.00 100.00 8.38e-25 GB AAA39318 "insulin receptor [Mus musculus]" 85.96 1372 97.96 100.00 1.56e-24 GB AAA41441 "insulin receptor precursor [Rattus norvegicus]" 85.96 1383 97.96 100.00 1.56e-24 GB AAA59174 "insulin receptor precursor [Homo sapiens]" 85.96 1382 100.00 100.00 8.42e-25 GB AAA59176 "insulin receptor (AA at 78), partial [Homo sapiens]" 85.96 192 100.00 100.00 5.49e-26 GB AAA59177 "insulin receptor (AA at 78), partial [Homo sapiens]" 85.96 192 100.00 100.00 5.49e-26 PRF 1104300A "insulin receptor precursor" 85.96 1370 100.00 100.00 8.38e-25 REF NP_000199 "insulin receptor isoform Long preproprotein [Homo sapiens]" 85.96 1382 100.00 100.00 8.42e-25 REF NP_001073285 "insulin receptor isoform Short preproprotein [Homo sapiens]" 85.96 1370 100.00 100.00 8.38e-25 REF NP_034698 "insulin receptor precursor [Mus musculus]" 85.96 1372 97.96 100.00 1.56e-24 REF NP_058767 "insulin receptor preproprotein [Rattus norvegicus]" 85.96 1384 97.96 100.00 1.56e-24 REF XP_001094337 "PREDICTED: insulin receptor [Macaca mulatta]" 85.96 1269 97.96 100.00 1.21e-24 SP P06213 "RecName: Full=Insulin receptor; Short=IR; AltName: CD_antigen=CD220; Contains: RecName: Full=Insulin receptor subunit alpha; Co" 85.96 1382 100.00 100.00 8.42e-25 SP P15127 "RecName: Full=Insulin receptor; Short=IR; AltName: CD_antigen=CD220; Contains: RecName: Full=Insulin receptor subunit alpha; Co" 85.96 1383 97.96 100.00 1.56e-24 SP P15208 "RecName: Full=Insulin receptor; Short=IR; AltName: CD_antigen=CD220; Contains: RecName: Full=Insulin receptor subunit alpha; Co" 85.96 1372 97.96 100.00 1.56e-24 TPG DAA27957 "TPA: insulin receptor [Bos taurus]" 85.96 1357 97.96 97.96 1.73e-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 $ISU 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 $ISU 'recombinant technology' . Escherichia coli BL21DE3 pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, pH6.5, 2% DPC' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ISU . mM 0.2 0.4 '[U-100% 15N]' $ISU . mM 0.2 0.4 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' DPC 2 % . . 'natural abundance' DTT 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_NMRView _Saveframe_category software _Name NMRView _Version 4.1 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20mM sodium phosphate, pH6.5, 2% DPC and 1 mM DTT' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 313 . K 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 C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' 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 ISUR _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 MET HA H 4.403 0.05 1 2 1 1 MET C C 176.208 0.2 1 3 1 1 MET CA C 55.045 0.2 1 4 1 1 MET CB C 33.055 0.2 1 5 1 1 MET N N 128.215 0.1 1 6 2 2 THR H H 8.100 0.05 1 7 2 2 THR HA H 4.076 0.05 1 8 2 2 THR C C 174.729 0.2 1 9 2 2 THR CA C 63.234 0.2 1 10 2 2 THR CB C 69.247 0.2 1 11 2 2 THR N N 113.734 0.1 1 12 3 3 TYR H H 7.911 0.05 1 13 3 3 TYR HA H 4.239 0.05 1 14 3 3 TYR C C 175.468 0.2 1 15 3 3 TYR CA C 59.361 0.2 1 16 3 3 TYR CB C 38.536 0.2 1 17 3 3 TYR N N 119.785 0.1 1 18 4 4 PHE H H 7.634 0.05 1 19 4 4 PHE HA H 4.440 0.05 1 20 4 4 PHE C C 174.872 0.2 1 21 4 4 PHE CA C 58.593 0.2 1 22 4 4 PHE CB C 39.220 0.2 1 23 4 4 PHE N N 117.223 0.1 1 24 5 5 TYR H H 7.877 0.05 1 25 5 5 TYR HA H 4.539 0.05 1 26 5 5 TYR C C 176.539 0.2 1 27 5 5 TYR CA C 58.768 0.2 1 28 5 5 TYR CB C 38.267 0.2 1 29 5 5 TYR N N 118.715 0.1 1 30 6 6 VAL H H 7.930 0.05 1 31 6 6 VAL HA H 3.934 0.05 1 32 6 6 VAL C C 176.487 0.2 1 33 6 6 VAL CA C 64.462 0.2 1 34 6 6 VAL CB C 31.983 0.2 1 35 6 6 VAL N N 118.275 0.1 1 36 7 7 THR H H 7.814 0.05 1 37 7 7 THR HA H 4.212 0.05 1 38 7 7 THR C C 175.536 0.2 1 39 7 7 THR CA C 64.289 0.2 1 40 7 7 THR CB C 68.479 0.2 1 41 7 7 THR N N 111.175 0.1 1 42 8 8 ASP H H 8.006 0.05 1 43 8 8 ASP HA H 4.446 0.05 1 44 8 8 ASP CA C 56.017 0.2 1 45 8 8 ASP CB C 40.695 0.2 1 46 8 8 ASP N N 121.151 0.1 1 47 9 9 TYR H H 7.726 0.05 1 48 9 9 TYR HA H 4.341 0.05 1 49 9 9 TYR C C 176.025 0.2 1 50 9 9 TYR CA C 59.525 0.2 1 51 9 9 TYR CB C 39.333 0.2 1 52 9 9 TYR N N 117.806 0.1 1 53 10 10 LEU H H 7.514 0.05 1 54 10 10 LEU HA H 4.277 0.05 1 55 10 10 LEU C C 175.391 0.2 1 56 10 10 LEU CA C 54.693 0.2 1 57 10 10 LEU CB C 43.009 0.2 1 58 10 10 LEU N N 116.985 0.1 1 59 11 11 ASP H H 7.978 0.05 1 60 11 11 ASP HA H 4.516 0.05 1 61 11 11 ASP HB3 H 2.429 0.05 2 62 11 11 ASP CA C 53.877 0.2 1 63 11 11 ASP CB C 40.610 0.2 1 64 11 11 ASP N N 120.049 0.1 1 65 12 12 VAL H H 7.780 0.05 1 66 12 12 VAL CA C 59.819 0.2 1 67 12 12 VAL N N 118.837 0.1 1 68 13 13 PRO HA H 4.080 0.05 1 69 13 13 PRO CA C 63.373 0.2 1 70 13 13 PRO CB C 31.965 0.2 1 71 14 14 SER H H 8.631 0.05 1 72 14 14 SER HA H 4.080 0.05 1 73 14 14 SER CA C 61.149 0.2 1 74 14 14 SER N N 117.102 0.1 1 75 15 15 ASN H H 8.500 0.05 1 76 15 15 ASN HA H 4.504 0.05 1 77 15 15 ASN C C 176.447 0.2 1 78 15 15 ASN CA C 55.409 0.2 1 79 15 15 ASN CB C 37.458 0.2 1 80 15 15 ASN N N 118.240 0.1 1 81 16 16 ILE H H 7.499 0.05 1 82 16 16 ILE HA H 3.985 0.05 1 83 16 16 ILE HB H 1.991 0.05 1 84 16 16 ILE C C 176.784 0.2 1 85 16 16 ILE CA C 62.338 0.2 1 86 16 16 ILE CB C 37.645 0.2 1 87 16 16 ILE N N 118.674 0.1 1 88 17 17 ALA H H 8.154 0.05 1 89 17 17 ALA HA H 3.906 0.05 1 90 17 17 ALA C C 178.295 0.2 1 91 17 17 ALA CA C 55.267 0.2 1 92 17 17 ALA CB C 18.538 0.2 1 93 17 17 ALA N N 123.146 0.1 1 94 18 18 LYS H H 7.867 0.05 1 95 18 18 LYS HA H 3.949 0.05 1 96 18 18 LYS C C 177.195 0.2 1 97 18 18 LYS CA C 59.407 0.2 1 98 18 18 LYS CB C 32.787 0.2 1 99 18 18 LYS N N 113.996 0.1 1 100 19 19 ILE H H 7.395 0.05 1 101 19 19 ILE HA H 4.050 0.05 1 102 19 19 ILE HB H 2.017 0.05 1 103 19 19 ILE C C 175.727 0.2 1 104 19 19 ILE CA C 62.912 0.2 1 105 19 19 ILE CB C 38.712 0.2 1 106 19 19 ILE N N 115.051 0.1 1 107 20 20 ILE H H 7.468 0.05 1 108 20 20 ILE CA C 62.423 0.2 1 109 20 20 ILE CB C 38.872 0.2 1 110 20 20 ILE N N 113.857 0.1 1 111 21 21 ILE HA H 3.863 0.05 1 112 21 21 ILE C C 176.210 0.2 1 113 21 21 ILE CA C 64.096 0.2 1 114 22 22 GLY H H 8.473 0.05 1 115 22 22 GLY CA C 48.239 0.2 1 116 22 22 GLY N N 106.975 0.1 1 117 23 23 PRO C C 177.086 0.2 1 118 23 23 PRO CA C 65.877 0.2 1 119 23 23 PRO CB C 32.062 0.2 1 120 24 24 LEU H H 7.855 0.05 1 121 24 24 LEU HA H 4.087 0.05 1 122 24 24 LEU C C 178.191 0.2 1 123 24 24 LEU CA C 58.482 0.2 1 124 24 24 LEU CB C 41.967 0.2 1 125 24 24 LEU N N 115.805 0.1 1 126 25 25 ILE H H 8.373 0.05 1 127 25 25 ILE HA H 3.723 0.05 1 128 25 25 ILE HB H 2.095 0.05 1 129 25 25 ILE C C 177.615 0.2 1 130 25 25 ILE CA C 65.390 0.2 1 131 25 25 ILE CB C 37.068 0.2 1 132 25 25 ILE N N 118.715 0.1 1 133 26 26 PHE H H 8.191 0.05 1 134 26 26 PHE HA H 3.982 0.05 1 135 26 26 PHE CA C 62.503 0.2 1 136 26 26 PHE CB C 39.069 0.2 1 137 26 26 PHE N N 118.782 0.1 1 138 27 27 VAL H H 8.530 0.05 1 139 27 27 VAL HA H 3.462 0.05 1 140 27 27 VAL HB H 2.241 0.05 1 141 27 27 VAL C C 178.431 0.2 1 142 27 27 VAL CA C 67.240 0.2 1 143 27 27 VAL CB C 31.106 0.2 1 144 27 27 VAL N N 118.263 0.1 1 145 28 28 PHE H H 8.572 0.05 1 146 28 28 PHE HA H 4.165 0.05 1 147 28 28 PHE C C 176.323 0.2 1 148 28 28 PHE CA C 61.738 0.2 1 149 28 28 PHE CB C 39.182 0.2 1 150 28 28 PHE N N 122.020 0.1 1 151 29 29 LEU H H 8.631 0.05 1 152 29 29 LEU HA H 3.712 0.05 1 153 29 29 LEU C C 178.103 0.2 1 154 29 29 LEU CA C 58.171 0.2 1 155 29 29 LEU CB C 41.995 0.2 1 156 29 29 LEU N N 118.508 0.1 1 157 30 30 PHE H H 8.701 0.05 1 158 30 30 PHE HA H 3.859 0.05 1 159 30 30 PHE CA C 61.654 0.2 1 160 30 30 PHE CB C 38.855 0.2 1 161 30 30 PHE N N 117.713 0.1 1 162 31 31 SER H H 8.137 0.05 1 163 31 31 SER HA H 3.933 0.05 1 164 31 31 SER C C 175.646 0.2 1 165 31 31 SER CA C 63.631 0.2 1 166 31 31 SER CB C 62.767 0.2 1 167 31 31 SER N N 115.131 0.1 1 168 32 32 VAL H H 7.820 0.05 1 169 32 32 VAL HA H 3.461 0.05 1 170 32 32 VAL HB H 1.966 0.05 1 171 32 32 VAL C C 178.552 0.2 1 172 32 32 VAL CA C 66.397 0.2 1 173 32 32 VAL CB C 31.352 0.2 1 174 32 32 VAL N N 120.892 0.1 1 175 33 33 VAL H H 8.061 0.05 1 176 33 33 VAL HA H 3.403 0.05 1 177 33 33 VAL C C 177.129 0.2 1 178 33 33 VAL CA C 67.702 0.2 1 179 33 33 VAL CB C 31.405 0.2 1 180 33 33 VAL N N 121.892 0.1 1 181 34 34 ILE H H 8.285 0.05 1 182 34 34 ILE HA H 3.566 0.05 1 183 34 34 ILE C C 178.041 0.2 1 184 34 34 ILE CA C 64.340 0.2 1 185 34 34 ILE CB C 36.429 0.2 1 186 34 34 ILE N N 117.742 0.1 1 187 35 35 GLY H H 8.676 0.05 1 188 35 35 GLY HA3 H 3.662 0.05 2 189 35 35 GLY C C 174.842 0.2 1 190 35 35 GLY CA C 47.696 0.2 1 191 35 35 GLY N N 107.221 0.1 1 192 36 36 SER H H 8.185 0.05 1 193 36 36 SER HA H 4.080 0.05 1 194 36 36 SER C C 175.749 0.2 1 195 36 36 SER CA C 63.895 0.2 1 196 36 36 SER CB C 63.038 0.2 1 197 36 36 SER N N 117.895 0.1 1 198 37 37 ILE H H 7.971 0.05 1 199 37 37 ILE HA H 3.650 0.05 1 200 37 37 ILE C C 177.436 0.2 1 201 37 37 ILE CA C 66.079 0.2 1 202 37 37 ILE CB C 37.947 0.2 1 203 37 37 ILE N N 122.412 0.1 1 204 38 38 TYR H H 8.450 0.05 1 205 38 38 TYR HA H 4.167 0.05 1 206 38 38 TYR C C 176.818 0.2 1 207 38 38 TYR CA C 62.452 0.2 1 208 38 38 TYR CB C 38.266 0.2 1 209 38 38 TYR N N 119.517 0.1 1 210 39 39 LEU H H 8.369 0.05 1 211 39 39 LEU HA H 3.697 0.05 1 212 39 39 LEU HB3 H 1.410 0.05 2 213 39 39 LEU C C 178.873 0.2 1 214 39 39 LEU CA C 57.930 0.2 1 215 39 39 LEU CB C 42.161 0.2 1 216 39 39 LEU N N 117.459 0.1 1 217 40 40 PHE H H 8.317 0.05 1 218 40 40 PHE C C 177.002 0.2 1 219 40 40 PHE CA C 61.209 0.2 1 220 40 40 PHE CB C 35.567 0.2 1 221 40 40 PHE N N 118.068 0.1 1 222 41 41 LEU H H 8.309 0.05 1 223 41 41 LEU HA H 3.981 0.05 1 224 41 41 LEU HB3 H 1.472 0.05 2 225 41 41 LEU C C 177.917 0.2 1 226 41 41 LEU CA C 56.741 0.2 1 227 41 41 LEU CB C 42.355 0.2 1 228 41 41 LEU N N 117.738 0.1 1 229 42 42 ARG H H 7.957 0.05 1 230 42 42 ARG HA H 4.011 0.05 1 231 42 42 ARG CA C 57.096 0.2 1 232 42 42 ARG CB C 29.875 0.2 1 233 42 42 ARG N N 118.199 0.1 1 234 43 43 LYS H H 7.799 0.05 1 235 43 43 LYS HA H 4.174 0.05 1 236 43 43 LYS C C 176.558 0.2 1 237 43 43 LYS CA C 56.430 0.2 1 238 43 43 LYS CB C 32.576 0.2 1 239 43 43 LYS N N 119.027 0.1 1 240 44 44 ARG H H 7.727 0.05 1 241 44 44 ARG HA H 4.172 0.05 1 242 44 44 ARG C C 175.813 0.2 1 243 44 44 ARG CA C 56.216 0.2 1 244 44 44 ARG CB C 30.658 0.2 1 245 44 44 ARG N N 120.558 0.1 1 246 45 45 GLN H H 8.141 0.05 1 247 45 45 GLN C C 173.795 0.2 1 248 45 45 GLN CA C 53.615 0.2 1 249 45 45 GLN CB C 29.002 0.2 1 250 45 45 GLN N N 122.179 0.1 1 251 46 46 PRO HA H 4.382 0.05 1 252 46 46 PRO HB2 H 1.875 0.05 2 253 46 46 PRO C C 176.477 0.2 1 254 46 46 PRO CA C 63.247 0.2 1 255 46 46 PRO CB C 32.072 0.2 1 256 47 47 ASP H H 8.333 0.05 1 257 47 47 ASP HA H 4.586 0.05 1 258 47 47 ASP C C 176.316 0.2 1 259 47 47 ASP CA C 54.356 0.2 1 260 47 47 ASP CB C 41.547 0.2 1 261 47 47 ASP N N 120.424 0.1 1 262 48 48 GLY H H 8.063 0.05 1 263 48 48 GLY C C 171.778 0.2 1 264 48 48 GLY CA C 44.630 0.2 1 265 48 48 GLY N N 108.892 0.1 1 266 49 49 PRO HA H 4.371 0.05 1 267 49 49 PRO HB2 H 1.855 0.05 2 268 49 49 PRO C C 177.077 0.2 1 269 49 49 PRO CA C 63.235 0.2 1 270 49 49 PRO CB C 32.148 0.2 1 271 50 50 LEU H H 8.263 0.05 1 272 50 50 LEU HA H 4.245 0.05 1 273 50 50 LEU C C 177.320 0.2 1 274 50 50 LEU CA C 55.264 0.2 1 275 50 50 LEU CB C 42.248 0.2 1 276 50 50 LEU N N 121.757 0.1 1 277 51 51 GLU H H 8.166 0.05 1 278 51 51 GLU CA C 56.531 0.2 1 279 51 51 GLU CB C 30.370 0.2 1 280 51 51 GLU N N 121.007 0.1 1 stop_ save_