data_36059 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of musashi1 RBD2 in complex with RNA ; _BMRB_accession_number 36059 _BMRB_flat_file_name bmr36059.str _Entry_type original _Submission_date 2017-02-09 _Accession_date 2017-05-19 _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 Iwaoka R. . . 2 Nagata T. . . 3 Tsuda K. . . 4 Imai T. . . 5 Okano H. . . 6 Kobayashi N. . . 7 Katahira M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 526 "13C chemical shifts" 416 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-12-11 original BMRB . stop_ _Original_release_date 2017-05-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of musashi1 RBD2 in complex with RNA ; _Citation_status 'in preparation' _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 Iwaoka R. . . 2 Nagata T. . . 3 Tsuda K. . . 4 Imai T. . . 5 Okano H. . . 6 Kobayashi N. . . 7 Katahira M. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-binding protein Musashi homolog 1/RNA Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10945.506 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSHMKKIFVGGLSVNTTVED VKHYFEQFGKVDDAMLMFDK TTNRHRGFGFVTFESEDIVE KVCEIHFHEINNKMVECKKA QPKEVMSPTGSARGRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 107 HIS 4 108 MET 5 109 LYS 6 110 LYS 7 111 ILE 8 112 PHE 9 113 VAL 10 114 GLY 11 115 GLY 12 116 LEU 13 117 SER 14 118 VAL 15 119 ASN 16 120 THR 17 121 THR 18 122 VAL 19 123 GLU 20 124 ASP 21 125 VAL 22 126 LYS 23 127 HIS 24 128 TYR 25 129 PHE 26 130 GLU 27 131 GLN 28 132 PHE 29 133 GLY 30 134 LYS 31 135 VAL 32 136 ASP 33 137 ASP 34 138 ALA 35 139 MET 36 140 LEU 37 141 MET 38 142 PHE 39 143 ASP 40 144 LYS 41 145 THR 42 146 THR 43 147 ASN 44 148 ARG 45 149 HIS 46 150 ARG 47 151 GLY 48 152 PHE 49 153 GLY 50 154 PHE 51 155 VAL 52 156 THR 53 157 PHE 54 158 GLU 55 159 SER 56 160 GLU 57 161 ASP 58 162 ILE 59 163 VAL 60 164 GLU 61 165 LYS 62 166 VAL 63 167 CYS 64 168 GLU 65 169 ILE 66 170 HIS 67 171 PHE 68 172 HIS 69 173 GLU 70 174 ILE 71 175 ASN 72 176 ASN 73 177 LYS 74 178 MET 75 179 VAL 76 180 GLU 77 181 CYS 78 182 LYS 79 183 LYS 80 184 ALA 81 185 GLN 82 186 PRO 83 187 LYS 84 188 GLU 85 189 VAL 86 190 MET 87 191 SER 88 192 PRO 89 193 THR 90 194 GLY 91 195 SER 92 196 ALA 93 197 ARG 94 198 GLY 95 199 ARG 96 200 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_2 _Molecular_mass 1586.992 _Mol_thiol_state 'not present' _Details . _Residue_count 5 _Mol_residue_sequence ; GUAGU ; loop_ _Residue_seq_code _Residue_label 1 G 2 U 3 A 4 G 5 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Msi1, Msi1h' $entity_2 Mouse 10090 Eukaryota Metazoa Mus musculus . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . VECTOR pET15b $entity_2 'chemical synthesis' . . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details "300 uM [U-100% 13C; U-100% 15N] Msi1 RBD2, 300 uM RNA (5'-R(*GP*UP*AP*GP*U)-3'), 95% H2O/5% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 300 uM '[U-100% 13C; U-100% 15N]' $entity_2 300 uM 'natural abundance' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name MagRO _Version . loop_ _Vendor _Address _Electronic_address Kobayashi . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _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_software_5 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 950 _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-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 'ionic strength' 100 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 107 3 HIS C C 175.111 0.300 1 2 107 3 HIS CA C 56.398 0.300 1 3 107 3 HIS CB C 29.575 0.300 1 4 108 4 MET H H 8.450 0.030 1 5 108 4 MET C C 175.865 0.300 1 6 108 4 MET CA C 56.235 0.300 1 7 108 4 MET CB C 32.601 0.300 1 8 108 4 MET N N 120.741 0.300 1 9 109 5 LYS H H 8.446 0.030 1 10 109 5 LYS HA H 4.386 0.030 1 11 109 5 LYS HB2 H 2.493 0.030 2 12 109 5 LYS HB3 H 1.652 0.030 2 13 109 5 LYS HG2 H 1.392 0.030 2 14 109 5 LYS HG3 H 1.072 0.030 2 15 109 5 LYS HD2 H 1.696 0.030 1 16 109 5 LYS HD3 H 1.696 0.030 1 17 109 5 LYS HE2 H 2.992 0.030 1 18 109 5 LYS HE3 H 2.992 0.030 1 19 109 5 LYS C C 173.566 0.300 1 20 109 5 LYS CA C 56.771 0.300 1 21 109 5 LYS CB C 32.546 0.300 1 22 109 5 LYS CG C 26.486 0.300 1 23 109 5 LYS CD C 29.530 0.300 1 24 109 5 LYS CE C 42.123 0.300 1 25 109 5 LYS N N 118.768 0.300 1 26 110 6 LYS H H 7.434 0.030 1 27 110 6 LYS HA H 5.469 0.030 1 28 110 6 LYS HB2 H 1.843 0.030 2 29 110 6 LYS HB3 H 1.590 0.030 2 30 110 6 LYS HG2 H 1.186 0.030 1 31 110 6 LYS HG3 H 1.186 0.030 1 32 110 6 LYS HD2 H 1.493 0.030 2 33 110 6 LYS HD3 H 1.441 0.030 2 34 110 6 LYS HE2 H 2.584 0.030 1 35 110 6 LYS HE3 H 2.584 0.030 1 36 110 6 LYS C C 175.675 0.300 1 37 110 6 LYS CA C 54.720 0.300 1 38 110 6 LYS CB C 37.717 0.300 1 39 110 6 LYS CG C 24.858 0.300 1 40 110 6 LYS CD C 30.441 0.300 1 41 110 6 LYS CE C 41.411 0.300 1 42 110 6 LYS N N 121.057 0.300 1 43 111 7 ILE H H 9.247 0.030 1 44 111 7 ILE HA H 4.986 0.030 1 45 111 7 ILE HB H 1.794 0.030 1 46 111 7 ILE HG12 H 1.187 0.030 2 47 111 7 ILE HG13 H 0.947 0.030 2 48 111 7 ILE HG2 H 0.706 0.030 1 49 111 7 ILE HD1 H 0.142 0.030 1 50 111 7 ILE C C 174.442 0.300 1 51 111 7 ILE CA C 59.230 0.300 1 52 111 7 ILE CB C 40.600 0.300 1 53 111 7 ILE CG1 C 26.177 0.300 1 54 111 7 ILE CG2 C 20.174 0.300 1 55 111 7 ILE CD1 C 14.759 0.300 1 56 111 7 ILE N N 117.678 0.300 1 57 112 8 PHE H H 9.187 0.030 1 58 112 8 PHE HA H 4.279 0.030 1 59 112 8 PHE HB2 H 2.520 0.030 2 60 112 8 PHE HB3 H 2.185 0.030 2 61 112 8 PHE HD1 H 6.041 0.030 1 62 112 8 PHE HD2 H 6.041 0.030 1 63 112 8 PHE HE1 H 6.458 0.030 1 64 112 8 PHE HE2 H 6.458 0.030 1 65 112 8 PHE C C 173.472 0.300 1 66 112 8 PHE CA C 56.328 0.300 1 67 112 8 PHE CB C 41.280 0.300 1 68 112 8 PHE CD1 C 130.219 0.300 1 69 112 8 PHE CD2 C 130.219 0.300 1 70 112 8 PHE CE1 C 128.145 0.300 1 71 112 8 PHE CE2 C 128.145 0.300 1 72 112 8 PHE N N 124.521 0.300 1 73 113 9 VAL H H 7.550 0.030 1 74 113 9 VAL HA H 4.753 0.030 1 75 113 9 VAL HB H 1.322 0.030 1 76 113 9 VAL HG1 H 0.518 0.030 2 77 113 9 VAL HG2 H 0.460 0.030 2 78 113 9 VAL C C 173.454 0.300 1 79 113 9 VAL CA C 58.948 0.300 1 80 113 9 VAL CB C 33.315 0.300 1 81 113 9 VAL CG1 C 21.164 0.300 2 82 113 9 VAL CG2 C 20.903 0.300 2 83 113 9 VAL N N 125.741 0.300 1 84 114 10 GLY H H 8.808 0.030 1 85 114 10 GLY HA2 H 3.150 0.030 2 86 114 10 GLY HA3 H 4.470 0.030 2 87 114 10 GLY C C 171.823 0.300 1 88 114 10 GLY CA C 44.180 0.300 1 89 114 10 GLY N N 110.286 0.300 1 90 115 11 GLY H H 7.888 0.030 1 91 115 11 GLY HA2 H 4.053 0.030 2 92 115 11 GLY HA3 H 4.222 0.030 2 93 115 11 GLY C C 174.979 0.300 1 94 115 11 GLY CA C 45.840 0.300 1 95 115 11 GLY N N 110.327 0.300 1 96 116 12 LEU H H 7.472 0.030 1 97 116 12 LEU HA H 4.027 0.030 1 98 116 12 LEU HB2 H 0.996 0.030 2 99 116 12 LEU HB3 H 0.888 0.030 2 100 116 12 LEU HG H 1.122 0.030 1 101 116 12 LEU HD1 H 0.508 0.030 2 102 116 12 LEU HD2 H 0.084 0.030 2 103 116 12 LEU C C 178.061 0.300 1 104 116 12 LEU CA C 54.286 0.300 1 105 116 12 LEU CB C 43.328 0.300 1 106 116 12 LEU CG C 26.719 0.300 1 107 116 12 LEU CD1 C 24.238 0.300 2 108 116 12 LEU CD2 C 26.763 0.300 2 109 116 12 LEU N N 118.100 0.300 1 110 117 13 SER H H 8.895 0.030 1 111 117 13 SER HA H 4.411 0.030 1 112 117 13 SER HB2 H 3.860 0.030 2 113 117 13 SER HB3 H 4.283 0.030 2 114 117 13 SER C C 176.458 0.300 1 115 117 13 SER CA C 57.507 0.300 1 116 117 13 SER CB C 64.582 0.300 1 117 117 13 SER N N 119.054 0.300 1 118 118 14 VAL H H 8.816 0.030 1 119 118 14 VAL HA H 3.492 0.030 1 120 118 14 VAL HB H 2.036 0.030 1 121 118 14 VAL HG1 H 0.911 0.030 2 122 118 14 VAL HG2 H 0.922 0.030 2 123 118 14 VAL C C 175.741 0.300 1 124 118 14 VAL CA C 65.193 0.300 1 125 118 14 VAL CB C 31.600 0.300 1 126 118 14 VAL CG1 C 20.051 0.300 2 127 118 14 VAL CG2 C 21.183 0.300 2 128 118 14 VAL N N 122.146 0.300 1 129 119 15 ASN H H 7.920 0.030 1 130 119 15 ASN HA H 4.758 0.030 1 131 119 15 ASN HB2 H 2.853 0.030 2 132 119 15 ASN HB3 H 2.796 0.030 2 133 119 15 ASN HD21 H 7.651 0.030 2 134 119 15 ASN HD22 H 6.978 0.030 2 135 119 15 ASN C C 175.080 0.300 1 136 119 15 ASN CA C 53.099 0.300 1 137 119 15 ASN CB C 38.033 0.300 1 138 119 15 ASN N N 114.802 0.300 1 139 119 15 ASN ND2 N 113.493 0.300 1 140 120 16 THR H H 7.681 0.030 1 141 120 16 THR HA H 4.137 0.030 1 142 120 16 THR HB H 4.098 0.030 1 143 120 16 THR HG2 H 1.115 0.030 1 144 120 16 THR C C 173.359 0.300 1 145 120 16 THR CA C 64.353 0.300 1 146 120 16 THR CB C 69.271 0.300 1 147 120 16 THR CG2 C 22.794 0.300 1 148 120 16 THR N N 118.474 0.300 1 149 121 17 THR H H 8.630 0.030 1 150 121 17 THR HA H 4.669 0.030 1 151 121 17 THR HB H 4.881 0.030 1 152 121 17 THR HG2 H 1.292 0.030 1 153 121 17 THR C C 176.107 0.300 1 154 121 17 THR CA C 59.495 0.300 1 155 121 17 THR CB C 72.731 0.300 1 156 121 17 THR CG2 C 21.543 0.300 1 157 121 17 THR N N 117.353 0.300 1 158 122 18 VAL H H 9.238 0.030 1 159 122 18 VAL HA H 3.487 0.030 1 160 122 18 VAL HB H 2.028 0.030 1 161 122 18 VAL HG1 H 0.890 0.030 2 162 122 18 VAL HG2 H 0.969 0.030 2 163 122 18 VAL C C 176.512 0.300 1 164 122 18 VAL CA C 65.689 0.300 1 165 122 18 VAL CB C 31.497 0.300 1 166 122 18 VAL CG1 C 22.916 0.300 2 167 122 18 VAL CG2 C 20.195 0.300 2 168 122 18 VAL N N 121.066 0.300 1 169 123 19 GLU H H 8.129 0.030 1 170 123 19 GLU HA H 3.818 0.030 1 171 123 19 GLU HB2 H 1.977 0.030 2 172 123 19 GLU HB3 H 1.798 0.030 2 173 123 19 GLU HG2 H 2.184 0.030 2 174 123 19 GLU HG3 H 2.367 0.030 2 175 123 19 GLU C C 178.546 0.300 1 176 123 19 GLU CA C 60.252 0.300 1 177 123 19 GLU CB C 28.504 0.300 1 178 123 19 GLU CG C 37.077 0.300 1 179 123 19 GLU N N 121.410 0.300 1 180 124 20 ASP H H 7.616 0.030 1 181 124 20 ASP HA H 4.334 0.030 1 182 124 20 ASP HB2 H 3.115 0.030 2 183 124 20 ASP HB3 H 2.484 0.030 2 184 124 20 ASP C C 179.610 0.300 1 185 124 20 ASP CA C 57.222 0.300 1 186 124 20 ASP CB C 41.763 0.300 1 187 124 20 ASP N N 119.636 0.300 1 188 125 21 VAL H H 7.441 0.030 1 189 125 21 VAL HA H 3.450 0.030 1 190 125 21 VAL HB H 2.111 0.030 1 191 125 21 VAL HG1 H 0.785 0.030 2 192 125 21 VAL HG2 H 0.795 0.030 2 193 125 21 VAL C C 176.875 0.300 1 194 125 21 VAL CA C 66.978 0.300 1 195 125 21 VAL CB C 31.804 0.300 1 196 125 21 VAL CG1 C 24.160 0.300 2 197 125 21 VAL CG2 C 21.759 0.300 2 198 125 21 VAL N N 119.663 0.300 1 199 126 22 LYS H H 8.568 0.030 1 200 126 22 LYS HA H 3.683 0.030 1 201 126 22 LYS HB2 H 1.810 0.030 2 202 126 22 LYS HB3 H 1.595 0.030 2 203 126 22 LYS HG2 H 1.227 0.030 1 204 126 22 LYS HG3 H 1.227 0.030 1 205 126 22 LYS HD2 H 1.592 0.030 1 206 126 22 LYS HD3 H 1.592 0.030 1 207 126 22 LYS HE2 H 2.822 0.030 1 208 126 22 LYS HE3 H 2.822 0.030 1 209 126 22 LYS C C 177.227 0.300 1 210 126 22 LYS CA C 61.441 0.300 1 211 126 22 LYS CB C 32.809 0.300 1 212 126 22 LYS CG C 25.845 0.300 1 213 126 22 LYS CD C 29.711 0.300 1 214 126 22 LYS CE C 42.008 0.300 1 215 126 22 LYS N N 120.214 0.300 1 216 127 23 HIS H H 8.507 0.030 1 217 127 23 HIS HA H 4.497 0.030 1 218 127 23 HIS HB2 H 3.313 0.030 2 219 127 23 HIS HB3 H 3.231 0.030 2 220 127 23 HIS HD2 H 7.332 0.030 1 221 127 23 HIS C C 177.173 0.300 1 222 127 23 HIS CA C 58.127 0.300 1 223 127 23 HIS CB C 28.492 0.300 1 224 127 23 HIS CD2 C 120.081 0.300 1 225 127 23 HIS N N 113.398 0.300 1 226 128 24 TYR H H 7.846 0.030 1 227 128 24 TYR HA H 4.038 0.030 1 228 128 24 TYR HB2 H 2.621 0.030 2 229 128 24 TYR HB3 H 3.031 0.030 2 230 128 24 TYR C C 178.154 0.300 1 231 128 24 TYR CA C 62.182 0.300 1 232 128 24 TYR CB C 38.086 0.300 1 233 128 24 TYR N N 117.837 0.300 1 234 129 25 PHE H H 8.106 0.030 1 235 129 25 PHE HA H 4.395 0.030 1 236 129 25 PHE HB2 H 2.765 0.030 2 237 129 25 PHE HB3 H 3.530 0.030 2 238 129 25 PHE HD1 H 7.501 0.030 1 239 129 25 PHE HD2 H 7.501 0.030 1 240 129 25 PHE HE1 H 6.617 0.030 1 241 129 25 PHE HE2 H 6.617 0.030 1 242 129 25 PHE C C 177.510 0.300 1 243 129 25 PHE CA C 63.679 0.300 1 244 129 25 PHE CB C 38.680 0.300 1 245 129 25 PHE CD1 C 132.024 0.300 1 246 129 25 PHE CD2 C 132.024 0.300 1 247 129 25 PHE CE1 C 131.005 0.300 1 248 129 25 PHE CE2 C 131.005 0.300 1 249 129 25 PHE N N 115.383 0.300 1 250 130 26 GLU H H 8.390 0.030 1 251 130 26 GLU HA H 5.065 0.030 1 252 130 26 GLU HB2 H 2.212 0.030 2 253 130 26 GLU HB3 H 1.988 0.030 2 254 130 26 GLU HG2 H 2.456 0.030 2 255 130 26 GLU HG3 H 2.577 0.030 2 256 130 26 GLU C C 177.892 0.300 1 257 130 26 GLU CA C 57.710 0.300 1 258 130 26 GLU CB C 29.165 0.300 1 259 130 26 GLU CG C 37.616 0.300 1 260 130 26 GLU N N 120.293 0.300 1 261 131 27 GLN H H 7.114 0.030 1 262 131 27 GLN HA H 3.991 0.030 1 263 131 27 GLN HB2 H 1.589 0.030 1 264 131 27 GLN HB3 H 1.589 0.030 1 265 131 27 GLN HG2 H 1.821 0.030 2 266 131 27 GLN HG3 H 1.319 0.030 2 267 131 27 GLN HE21 H 6.594 0.030 2 268 131 27 GLN HE22 H 6.393 0.030 2 269 131 27 GLN C C 176.770 0.300 1 270 131 27 GLN CA C 57.627 0.300 1 271 131 27 GLN CB C 29.223 0.300 1 272 131 27 GLN CG C 33.889 0.300 1 273 131 27 GLN N N 115.793 0.300 1 274 131 27 GLN NE2 N 111.866 0.300 1 275 132 28 PHE H H 7.948 0.030 1 276 132 28 PHE HA H 4.356 0.030 1 277 132 28 PHE HB2 H 2.978 0.030 2 278 132 28 PHE HB3 H 2.934 0.030 2 279 132 28 PHE HD1 H 7.358 0.030 1 280 132 28 PHE HD2 H 7.358 0.030 1 281 132 28 PHE HE1 H 7.186 0.030 1 282 132 28 PHE HE2 H 7.186 0.030 1 283 132 28 PHE HZ H 7.489 0.030 1 284 132 28 PHE C C 175.399 0.300 1 285 132 28 PHE CA C 59.266 0.300 1 286 132 28 PHE CB C 39.959 0.300 1 287 132 28 PHE CD1 C 131.722 0.300 1 288 132 28 PHE CD2 C 131.722 0.300 1 289 132 28 PHE CE1 C 131.696 0.300 1 290 132 28 PHE CE2 C 131.696 0.300 1 291 132 28 PHE CZ C 129.947 0.300 1 292 132 28 PHE N N 116.541 0.300 1 293 133 29 GLY H H 7.571 0.030 1 294 133 29 GLY HA2 H 3.974 0.030 2 295 133 29 GLY HA3 H 4.081 0.030 2 296 133 29 GLY C C 169.920 0.300 1 297 133 29 GLY CA C 44.783 0.300 1 298 133 29 GLY N N 105.514 0.300 1 299 134 30 LYS H H 7.972 0.030 1 300 134 30 LYS HA H 4.202 0.030 1 301 134 30 LYS HB2 H 1.727 0.030 1 302 134 30 LYS HB3 H 1.727 0.030 1 303 134 30 LYS HG2 H 1.400 0.030 2 304 134 30 LYS HG3 H 1.311 0.030 2 305 134 30 LYS C C 176.850 0.300 1 306 134 30 LYS CA C 57.947 0.300 1 307 134 30 LYS CB C 32.821 0.300 1 308 134 30 LYS CG C 24.761 0.300 1 309 134 30 LYS CD C 29.151 0.300 1 310 134 30 LYS CE C 42.390 0.300 1 311 134 30 LYS N N 117.214 0.300 1 312 135 31 VAL H H 8.838 0.030 1 313 135 31 VAL HA H 3.930 0.030 1 314 135 31 VAL HB H 1.941 0.030 1 315 135 31 VAL HG1 H 0.606 0.030 2 316 135 31 VAL HG2 H 0.823 0.030 2 317 135 31 VAL C C 175.414 0.300 1 318 135 31 VAL CA C 61.917 0.300 1 319 135 31 VAL CB C 33.372 0.300 1 320 135 31 VAL CG1 C 22.563 0.300 2 321 135 31 VAL CG2 C 22.004 0.300 2 322 135 31 VAL N N 128.750 0.300 1 323 136 32 ASP H H 8.669 0.030 1 324 136 32 ASP HA H 4.607 0.030 1 325 136 32 ASP HB2 H 2.462 0.030 2 326 136 32 ASP HB3 H 2.016 0.030 2 327 136 32 ASP C C 175.983 0.300 1 328 136 32 ASP CA C 55.530 0.300 1 329 136 32 ASP CB C 41.818 0.300 1 330 136 32 ASP N N 129.225 0.300 1 331 137 33 ASP H H 7.627 0.030 1 332 137 33 ASP HA H 4.667 0.030 1 333 137 33 ASP HB2 H 2.285 0.030 2 334 137 33 ASP HB3 H 2.609 0.030 2 335 137 33 ASP C C 173.249 0.300 1 336 137 33 ASP CA C 53.821 0.300 1 337 137 33 ASP CB C 44.274 0.300 1 338 137 33 ASP N N 115.752 0.300 1 339 138 34 ALA H H 8.118 0.030 1 340 138 34 ALA HA H 4.983 0.030 1 341 138 34 ALA HB H 1.077 0.030 1 342 138 34 ALA C C 174.393 0.300 1 343 138 34 ALA CA C 51.583 0.300 1 344 138 34 ALA CB C 21.896 0.300 1 345 138 34 ALA N N 122.505 0.300 1 346 139 35 MET H H 8.653 0.030 1 347 139 35 MET HA H 4.705 0.030 1 348 139 35 MET HB2 H 2.117 0.030 2 349 139 35 MET HB3 H 2.031 0.030 2 350 139 35 MET HG2 H 2.508 0.030 1 351 139 35 MET HG3 H 2.508 0.030 1 352 139 35 MET HE H 2.130 0.030 1 353 139 35 MET C C 173.418 0.300 1 354 139 35 MET CA C 54.966 0.300 1 355 139 35 MET CB C 35.626 0.300 1 356 139 35 MET CG C 30.964 0.300 1 357 139 35 MET CE C 17.315 0.300 1 358 139 35 MET N N 117.802 0.300 1 359 140 36 LEU H H 8.680 0.030 1 360 140 36 LEU HA H 4.355 0.030 1 361 140 36 LEU HB2 H 1.363 0.030 2 362 140 36 LEU HB3 H 0.753 0.030 2 363 140 36 LEU HG H 1.175 0.030 1 364 140 36 LEU HD1 H 0.295 0.030 2 365 140 36 LEU HD2 H 0.171 0.030 2 366 140 36 LEU C C 174.941 0.300 1 367 140 36 LEU CA C 53.309 0.300 1 368 140 36 LEU CB C 42.951 0.300 1 369 140 36 LEU CG C 27.401 0.300 1 370 140 36 LEU CD1 C 24.638 0.300 2 371 140 36 LEU CD2 C 23.251 0.300 2 372 140 36 LEU N N 122.589 0.300 1 373 141 37 MET H H 6.985 0.030 1 374 141 37 MET HA H 4.904 0.030 1 375 141 37 MET HB2 H 0.662 0.030 2 376 141 37 MET HB3 H 1.836 0.030 2 377 141 37 MET HG2 H 2.842 0.030 2 378 141 37 MET HG3 H 1.878 0.030 2 379 141 37 MET HE H 2.327 0.030 1 380 141 37 MET C C 175.552 0.300 1 381 141 37 MET CA C 52.852 0.300 1 382 141 37 MET CB C 29.120 0.300 1 383 141 37 MET CG C 33.259 0.300 1 384 141 37 MET CE C 16.677 0.300 1 385 141 37 MET N N 117.214 0.300 1 386 142 38 PHE H H 9.054 0.030 1 387 142 38 PHE HA H 4.578 0.030 1 388 142 38 PHE HB2 H 2.928 0.030 2 389 142 38 PHE HB3 H 2.717 0.030 2 390 142 38 PHE HD1 H 6.955 0.030 1 391 142 38 PHE HD2 H 6.955 0.030 1 392 142 38 PHE HE1 H 7.294 0.030 1 393 142 38 PHE HE2 H 7.294 0.030 1 394 142 38 PHE HZ H 7.312 0.030 1 395 142 38 PHE C C 175.315 0.300 1 396 142 38 PHE CA C 58.490 0.300 1 397 142 38 PHE CB C 42.288 0.300 1 398 142 38 PHE CD1 C 131.313 0.300 1 399 142 38 PHE CD2 C 131.313 0.300 1 400 142 38 PHE CE1 C 131.534 0.300 1 401 142 38 PHE CE2 C 131.534 0.300 1 402 142 38 PHE CZ C 129.738 0.300 1 403 142 38 PHE N N 122.481 0.300 1 404 143 39 ASP H H 8.515 0.030 1 405 143 39 ASP HA H 4.855 0.030 1 406 143 39 ASP HB2 H 2.434 0.030 2 407 143 39 ASP HB3 H 3.363 0.030 2 408 143 39 ASP C C 176.790 0.300 1 409 143 39 ASP CA C 52.940 0.300 1 410 143 39 ASP CB C 41.969 0.300 1 411 143 39 ASP N N 123.187 0.300 1 412 144 40 LYS H H 8.976 0.030 1 413 144 40 LYS HA H 4.223 0.030 1 414 144 40 LYS HB2 H 1.949 0.030 2 415 144 40 LYS HB3 H 1.579 0.030 2 416 144 40 LYS HG2 H 1.575 0.030 2 417 144 40 LYS HG3 H 1.719 0.030 2 418 144 40 LYS C C 177.629 0.300 1 419 144 40 LYS CA C 58.279 0.300 1 420 144 40 LYS CB C 32.423 0.300 1 421 144 40 LYS CG C 24.953 0.300 1 422 144 40 LYS N N 125.285 0.300 1 423 145 41 THR H H 8.888 0.030 1 424 145 41 THR HA H 4.266 0.030 1 425 145 41 THR HB H 4.359 0.030 1 426 145 41 THR HG2 H 1.260 0.030 1 427 145 41 THR C C 176.107 0.300 1 428 145 41 THR CA C 64.834 0.300 1 429 145 41 THR CB C 68.934 0.300 1 430 145 41 THR CG2 C 22.032 0.300 1 431 145 41 THR N N 113.562 0.300 1 432 146 42 THR H H 7.537 0.030 1 433 146 42 THR HA H 4.360 0.030 1 434 146 42 THR HB H 4.323 0.030 1 435 146 42 THR HG2 H 1.193 0.030 1 436 146 42 THR C C 175.565 0.300 1 437 146 42 THR CA C 61.657 0.300 1 438 146 42 THR CB C 70.548 0.300 1 439 146 42 THR CG2 C 21.832 0.300 1 440 146 42 THR N N 110.243 0.300 1 441 147 43 ASN H H 8.454 0.030 1 442 147 43 ASN HA H 4.466 0.030 1 443 147 43 ASN HB2 H 3.113 0.030 2 444 147 43 ASN HB3 H 2.809 0.030 2 445 147 43 ASN HD21 H 7.481 0.030 2 446 147 43 ASN HD22 H 6.701 0.030 2 447 147 43 ASN C C 173.804 0.300 1 448 147 43 ASN CA C 54.772 0.300 1 449 147 43 ASN CB C 37.684 0.300 1 450 147 43 ASN N N 117.357 0.300 1 451 147 43 ASN ND2 N 111.989 0.300 1 452 148 44 ARG H H 7.604 0.030 1 453 148 44 ARG HA H 4.677 0.030 1 454 148 44 ARG HB2 H 1.728 0.030 2 455 148 44 ARG HB3 H 1.596 0.030 2 456 148 44 ARG HG2 H 1.560 0.030 2 457 148 44 ARG HG3 H 1.453 0.030 2 458 148 44 ARG HD2 H 3.103 0.030 2 459 148 44 ARG HD3 H 3.202 0.030 2 460 148 44 ARG HE H 7.287 0.030 1 461 148 44 ARG C C 175.678 0.300 1 462 148 44 ARG CA C 54.755 0.300 1 463 148 44 ARG CB C 32.883 0.300 1 464 148 44 ARG CG C 26.750 0.300 1 465 148 44 ARG CD C 43.667 0.300 1 466 148 44 ARG N N 116.333 0.300 1 467 148 44 ARG NE N 85.277 0.300 1 468 149 45 HIS H H 8.095 0.030 1 469 149 45 HIS HA H 4.351 0.030 1 470 149 45 HIS HB2 H 2.649 0.030 2 471 149 45 HIS HB3 H 2.147 0.030 2 472 149 45 HIS HD2 H 6.976 0.030 1 473 149 45 HIS HE1 H 7.079 0.030 1 474 149 45 HIS C C 175.351 0.300 1 475 149 45 HIS CA C 56.041 0.300 1 476 149 45 HIS CB C 30.835 0.300 1 477 149 45 HIS CD2 C 119.110 0.300 1 478 149 45 HIS CE1 C 138.838 0.300 1 479 149 45 HIS N N 118.955 0.300 1 480 150 46 ARG H H 8.282 0.030 1 481 150 46 ARG HA H 3.957 0.030 1 482 150 46 ARG HB2 H 2.664 0.030 2 483 150 46 ARG HB3 H 0.952 0.030 2 484 150 46 ARG HG2 H 1.757 0.030 2 485 150 46 ARG HG3 H 1.446 0.030 2 486 150 46 ARG HD2 H 3.197 0.030 2 487 150 46 ARG HD3 H 2.705 0.030 2 488 150 46 ARG HE H 7.630 0.030 1 489 150 46 ARG C C 177.038 0.300 1 490 150 46 ARG CA C 55.924 0.300 1 491 150 46 ARG CB C 32.656 0.300 1 492 150 46 ARG CG C 27.653 0.300 1 493 150 46 ARG CD C 44.633 0.300 1 494 150 46 ARG N N 116.430 0.300 1 495 150 46 ARG NE N 83.856 0.300 1 496 151 47 GLY H H 10.803 0.030 1 497 151 47 GLY HA2 H 3.695 0.030 2 498 151 47 GLY HA3 H 4.818 0.030 2 499 151 47 GLY C C 173.904 0.300 1 500 151 47 GLY CA C 45.634 0.300 1 501 151 47 GLY N N 112.104 0.300 1 502 152 48 PHE H H 7.103 0.030 1 503 152 48 PHE HA H 5.273 0.030 1 504 152 48 PHE HB2 H 2.285 0.030 2 505 152 48 PHE HB3 H 2.464 0.030 2 506 152 48 PHE HD1 H 6.493 0.030 1 507 152 48 PHE HD2 H 6.493 0.030 1 508 152 48 PHE HE1 H 7.245 0.030 1 509 152 48 PHE HE2 H 7.245 0.030 1 510 152 48 PHE HZ H 7.294 0.030 1 511 152 48 PHE C C 171.325 0.300 1 512 152 48 PHE CA C 54.561 0.300 1 513 152 48 PHE CB C 42.586 0.300 1 514 152 48 PHE CD1 C 130.224 0.300 1 515 152 48 PHE CD2 C 130.224 0.300 1 516 152 48 PHE CE1 C 131.100 0.300 1 517 152 48 PHE CE2 C 131.100 0.300 1 518 152 48 PHE CZ C 128.542 0.300 1 519 152 48 PHE N N 114.191 0.300 1 520 153 49 GLY H H 7.823 0.030 1 521 153 49 GLY HA2 H 3.483 0.030 2 522 153 49 GLY HA3 H 3.836 0.030 2 523 153 49 GLY C C 169.036 0.300 1 524 153 49 GLY CA C 44.504 0.300 1 525 153 49 GLY N N 104.618 0.300 1 526 154 50 PHE H H 8.592 0.030 1 527 154 50 PHE HA H 5.643 0.030 1 528 154 50 PHE HB2 H 2.736 0.030 2 529 154 50 PHE HB3 H 2.442 0.030 2 530 154 50 PHE HD1 H 6.838 0.030 1 531 154 50 PHE HD2 H 6.838 0.030 1 532 154 50 PHE HE1 H 6.988 0.030 1 533 154 50 PHE HE2 H 6.988 0.030 1 534 154 50 PHE HZ H 7.124 0.030 1 535 154 50 PHE C C 175.353 0.300 1 536 154 50 PHE CA C 56.109 0.300 1 537 154 50 PHE CB C 44.548 0.300 1 538 154 50 PHE CD1 C 131.841 0.300 1 539 154 50 PHE CD2 C 131.841 0.300 1 540 154 50 PHE CE1 C 130.194 0.300 1 541 154 50 PHE CE2 C 130.194 0.300 1 542 154 50 PHE N N 114.062 0.300 1 543 155 51 VAL H H 8.343 0.030 1 544 155 51 VAL HA H 4.305 0.030 1 545 155 51 VAL HB H 1.090 0.030 1 546 155 51 VAL HG1 H 0.352 0.030 2 547 155 51 VAL HG2 H 0.016 0.030 2 548 155 51 VAL C C 173.430 0.300 1 549 155 51 VAL CA C 60.908 0.300 1 550 155 51 VAL CB C 34.749 0.300 1 551 155 51 VAL CG1 C 21.535 0.300 2 552 155 51 VAL CG2 C 21.745 0.300 2 553 155 51 VAL N N 121.561 0.300 1 554 156 52 THR H H 8.813 0.030 1 555 156 52 THR HA H 5.008 0.030 1 556 156 52 THR HB H 3.792 0.030 1 557 156 52 THR HG2 H 1.158 0.030 1 558 156 52 THR C C 174.187 0.300 1 559 156 52 THR CA C 61.115 0.300 1 560 156 52 THR CB C 69.868 0.300 1 561 156 52 THR CG2 C 21.785 0.300 1 562 156 52 THR N N 122.456 0.300 1 563 157 53 PHE H H 8.971 0.030 1 564 157 53 PHE HA H 4.980 0.030 1 565 157 53 PHE HB2 H 2.625 0.030 2 566 157 53 PHE HB3 H 3.566 0.030 2 567 157 53 PHE HD1 H 7.100 0.030 1 568 157 53 PHE HD2 H 7.100 0.030 1 569 157 53 PHE HE1 H 6.947 0.030 1 570 157 53 PHE HE2 H 6.947 0.030 1 571 157 53 PHE HZ H 6.809 0.030 1 572 157 53 PHE C C 175.132 0.300 1 573 157 53 PHE CA C 57.715 0.300 1 574 157 53 PHE CB C 41.964 0.300 1 575 157 53 PHE CD1 C 132.525 0.300 1 576 157 53 PHE CD2 C 132.525 0.300 1 577 157 53 PHE CE1 C 130.588 0.300 1 578 157 53 PHE CE2 C 130.588 0.300 1 579 157 53 PHE CZ C 128.228 0.300 1 580 157 53 PHE N N 126.117 0.300 1 581 158 54 GLU H H 8.064 0.030 1 582 158 54 GLU HA H 4.217 0.030 1 583 158 54 GLU HB2 H 2.059 0.030 1 584 158 54 GLU HB3 H 2.059 0.030 1 585 158 54 GLU HG2 H 2.293 0.030 2 586 158 54 GLU HG3 H 2.233 0.030 2 587 158 54 GLU C C 176.432 0.300 1 588 158 54 GLU CA C 58.649 0.300 1 589 158 54 GLU CB C 30.672 0.300 1 590 158 54 GLU CG C 36.590 0.300 1 591 158 54 GLU N N 117.802 0.300 1 592 159 55 SER H H 8.030 0.030 1 593 159 55 SER HA H 4.828 0.030 1 594 159 55 SER HB2 H 3.974 0.030 2 595 159 55 SER HB3 H 3.834 0.030 2 596 159 55 SER C C 175.289 0.300 1 597 159 55 SER CA C 56.288 0.300 1 598 159 55 SER CB C 64.991 0.300 1 599 159 55 SER N N 110.288 0.300 1 600 160 56 GLU H H 9.650 0.030 1 601 160 56 GLU HA H 4.027 0.030 1 602 160 56 GLU HB2 H 2.036 0.030 1 603 160 56 GLU HB3 H 2.036 0.030 1 604 160 56 GLU HG2 H 2.296 0.030 1 605 160 56 GLU HG3 H 2.296 0.030 1 606 160 56 GLU C C 177.638 0.300 1 607 160 56 GLU CA C 59.110 0.300 1 608 160 56 GLU CB C 29.647 0.300 1 609 160 56 GLU CG C 36.469 0.300 1 610 160 56 GLU N N 126.874 0.300 1 611 161 57 ASP H H 8.359 0.030 1 612 161 57 ASP HA H 4.336 0.030 1 613 161 57 ASP HB2 H 2.646 0.030 2 614 161 57 ASP HB3 H 2.529 0.030 2 615 161 57 ASP C C 178.562 0.300 1 616 161 57 ASP CA C 56.834 0.300 1 617 161 57 ASP CB C 39.966 0.300 1 618 161 57 ASP N N 119.163 0.300 1 619 162 58 ILE H H 7.230 0.030 1 620 162 58 ILE HA H 3.592 0.030 1 621 162 58 ILE HB H 1.653 0.030 1 622 162 58 ILE HG12 H 1.448 0.030 1 623 162 58 ILE HG13 H 1.448 0.030 1 624 162 58 ILE HG2 H 0.020 0.030 1 625 162 58 ILE HD1 H 0.816 0.030 1 626 162 58 ILE C C 177.348 0.300 1 627 162 58 ILE CA C 61.838 0.300 1 628 162 58 ILE CB C 35.904 0.300 1 629 162 58 ILE CG1 C 27.708 0.300 1 630 162 58 ILE CG2 C 18.555 0.300 1 631 162 58 ILE CD1 C 10.291 0.300 1 632 162 58 ILE N N 120.113 0.300 1 633 163 59 VAL H H 6.766 0.030 1 634 163 59 VAL HA H 2.939 0.030 1 635 163 59 VAL HB H 2.388 0.030 1 636 163 59 VAL HG1 H 1.036 0.030 2 637 163 59 VAL HG2 H 0.754 0.030 2 638 163 59 VAL C C 177.871 0.300 1 639 163 59 VAL CA C 66.997 0.300 1 640 163 59 VAL CB C 31.481 0.300 1 641 163 59 VAL CG1 C 24.276 0.300 2 642 163 59 VAL CG2 C 21.381 0.300 2 643 163 59 VAL N N 119.619 0.300 1 644 164 60 GLU H H 7.610 0.030 1 645 164 60 GLU HA H 3.846 0.030 1 646 164 60 GLU HB2 H 2.042 0.030 1 647 164 60 GLU HB3 H 2.042 0.030 1 648 164 60 GLU HG2 H 2.348 0.030 1 649 164 60 GLU HG3 H 2.348 0.030 1 650 164 60 GLU C C 178.963 0.300 1 651 164 60 GLU CA C 59.243 0.300 1 652 164 60 GLU CB C 28.879 0.300 1 653 164 60 GLU CG C 35.366 0.300 1 654 164 60 GLU N N 116.829 0.300 1 655 165 61 LYS H H 7.415 0.030 1 656 165 61 LYS HA H 4.122 0.030 1 657 165 61 LYS HB2 H 1.872 0.030 2 658 165 61 LYS HB3 H 1.949 0.030 2 659 165 61 LYS HG2 H 1.514 0.030 2 660 165 61 LYS HG3 H 1.434 0.030 2 661 165 61 LYS HD2 H 1.779 0.030 1 662 165 61 LYS HD3 H 1.779 0.030 1 663 165 61 LYS HE2 H 3.194 0.030 2 664 165 61 LYS HE3 H 2.701 0.030 2 665 165 61 LYS C C 179.265 0.300 1 666 165 61 LYS CA C 59.094 0.300 1 667 165 61 LYS CB C 32.336 0.300 1 668 165 61 LYS CG C 24.428 0.300 1 669 165 61 LYS CD C 28.873 0.300 1 670 165 61 LYS CE C 44.662 0.300 1 671 165 61 LYS N N 119.373 0.300 1 672 166 62 VAL H H 8.346 0.030 1 673 166 62 VAL HA H 3.524 0.030 1 674 166 62 VAL HB H 1.953 0.030 1 675 166 62 VAL HG1 H 0.633 0.030 2 676 166 62 VAL HG2 H 0.498 0.030 2 677 166 62 VAL C C 180.543 0.300 1 678 166 62 VAL CA C 66.497 0.300 1 679 166 62 VAL CB C 31.320 0.300 1 680 166 62 VAL CG1 C 22.061 0.300 2 681 166 62 VAL CG2 C 22.467 0.300 2 682 166 62 VAL N N 114.745 0.300 1 683 167 63 CYS H H 8.303 0.030 1 684 167 63 CYS HA H 4.085 0.030 1 685 167 63 CYS HB2 H 2.958 0.030 2 686 167 63 CYS HB3 H 2.844 0.030 2 687 167 63 CYS C C 175.696 0.300 1 688 167 63 CYS CA C 64.579 0.300 1 689 167 63 CYS CB C 26.742 0.300 1 690 167 63 CYS N N 120.891 0.300 1 691 168 64 GLU H H 8.124 0.030 1 692 168 64 GLU HA H 4.045 0.030 1 693 168 64 GLU HB2 H 2.182 0.030 2 694 168 64 GLU HB3 H 2.310 0.030 2 695 168 64 GLU HG2 H 2.317 0.030 2 696 168 64 GLU HG3 H 2.235 0.030 2 697 168 64 GLU C C 178.942 0.300 1 698 168 64 GLU CA C 59.196 0.300 1 699 168 64 GLU CB C 29.157 0.300 1 700 168 64 GLU CG C 36.083 0.300 1 701 168 64 GLU N N 123.271 0.300 1 702 169 65 ILE H H 7.681 0.030 1 703 169 65 ILE HA H 3.683 0.030 1 704 169 65 ILE HB H 1.439 0.030 1 705 169 65 ILE HG12 H 1.111 0.030 2 706 169 65 ILE HG13 H 1.838 0.030 2 707 169 65 ILE HG2 H 0.529 0.030 1 708 169 65 ILE HD1 H 0.950 0.030 1 709 169 65 ILE C C 179.496 0.300 1 710 169 65 ILE CA C 65.476 0.300 1 711 169 65 ILE CB C 39.076 0.300 1 712 169 65 ILE CG1 C 29.329 0.300 1 713 169 65 ILE CG2 C 16.420 0.300 1 714 169 65 ILE CD1 C 14.991 0.300 1 715 169 65 ILE N N 120.912 0.300 1 716 170 66 HIS H H 7.592 0.030 1 717 170 66 HIS HA H 4.103 0.030 1 718 170 66 HIS HB2 H 3.975 0.030 2 719 170 66 HIS HB3 H 3.072 0.030 2 720 170 66 HIS HD2 H 7.097 0.030 1 721 170 66 HIS HE1 H 8.635 0.030 1 722 170 66 HIS C C 174.103 0.300 1 723 170 66 HIS CA C 60.426 0.300 1 724 170 66 HIS CB C 27.861 0.300 1 725 170 66 HIS CD2 C 118.256 0.300 1 726 170 66 HIS CE1 C 136.636 0.300 1 727 170 66 HIS N N 111.118 0.300 1 728 171 67 PHE H H 8.928 0.030 1 729 171 67 PHE HA H 5.607 0.030 1 730 171 67 PHE HB2 H 2.963 0.030 2 731 171 67 PHE HB3 H 2.731 0.030 2 732 171 67 PHE HD1 H 7.061 0.030 1 733 171 67 PHE HD2 H 7.061 0.030 1 734 171 67 PHE HE1 H 7.095 0.030 1 735 171 67 PHE C C 174.707 0.300 1 736 171 67 PHE CA C 57.346 0.300 1 737 171 67 PHE CB C 41.190 0.300 1 738 171 67 PHE CD1 C 131.618 0.300 1 739 171 67 PHE CD2 C 131.618 0.300 1 740 171 67 PHE CE1 C 130.733 0.300 1 741 171 67 PHE CE2 C 130.733 0.300 1 742 171 67 PHE N N 122.308 0.300 1 743 172 68 HIS H H 9.042 0.030 1 744 172 68 HIS HA H 4.504 0.030 1 745 172 68 HIS HB2 H 2.703 0.030 2 746 172 68 HIS HB3 H 2.364 0.030 2 747 172 68 HIS HD2 H 6.923 0.030 1 748 172 68 HIS HE1 H 7.219 0.030 1 749 172 68 HIS C C 172.720 0.300 1 750 172 68 HIS CA C 54.808 0.300 1 751 172 68 HIS CB C 34.786 0.300 1 752 172 68 HIS CD2 C 118.137 0.300 1 753 172 68 HIS CE1 C 135.546 0.300 1 754 172 68 HIS N N 122.337 0.300 1 755 173 69 GLU H H 8.889 0.030 1 756 173 69 GLU HA H 4.760 0.030 1 757 173 69 GLU HB2 H 1.942 0.030 2 758 173 69 GLU HB3 H 1.749 0.030 2 759 173 69 GLU HG2 H 1.855 0.030 2 760 173 69 GLU HG3 H 1.759 0.030 2 761 173 69 GLU C C 174.404 0.300 1 762 173 69 GLU CA C 55.689 0.300 1 763 173 69 GLU CB C 30.947 0.300 1 764 173 69 GLU CG C 36.903 0.300 1 765 173 69 GLU N N 125.383 0.300 1 766 174 70 ILE H H 8.279 0.030 1 767 174 70 ILE HA H 3.892 0.030 1 768 174 70 ILE HB H 1.323 0.030 1 769 174 70 ILE HG12 H 0.661 0.030 2 770 174 70 ILE HG13 H -0.346 0.030 2 771 174 70 ILE HG2 H 0.459 0.030 1 772 174 70 ILE HD1 H 0.219 0.030 1 773 174 70 ILE C C 176.223 0.300 1 774 174 70 ILE CA C 60.904 0.300 1 775 174 70 ILE CB C 39.724 0.300 1 776 174 70 ILE CG1 C 25.321 0.300 1 777 174 70 ILE CG2 C 16.238 0.300 1 778 174 70 ILE CD1 C 14.527 0.300 1 779 174 70 ILE N N 124.123 0.300 1 780 175 71 ASN H H 9.410 0.030 1 781 175 71 ASN HA H 4.188 0.030 1 782 175 71 ASN HB2 H 2.923 0.030 2 783 175 71 ASN HB3 H 2.525 0.030 2 784 175 71 ASN HD21 H 7.188 0.030 2 785 175 71 ASN HD22 H 6.948 0.030 2 786 175 71 ASN C C 174.474 0.300 1 787 175 71 ASN CA C 54.561 0.300 1 788 175 71 ASN CB C 36.796 0.300 1 789 175 71 ASN N N 126.885 0.300 1 790 175 71 ASN ND2 N 112.409 0.300 1 791 176 72 ASN H H 8.913 0.030 1 792 176 72 ASN HA H 4.172 0.030 1 793 176 72 ASN HB2 H 3.003 0.030 2 794 176 72 ASN HB3 H 2.836 0.030 2 795 176 72 ASN HD21 H 7.450 0.030 2 796 176 72 ASN HD22 H 6.800 0.030 2 797 176 72 ASN C C 172.778 0.300 1 798 176 72 ASN CA C 54.873 0.300 1 799 176 72 ASN CB C 37.490 0.300 1 800 176 72 ASN N N 108.001 0.300 1 801 176 72 ASN ND2 N 112.257 0.300 1 802 177 73 LYS H H 7.442 0.030 1 803 177 73 LYS HA H 4.544 0.030 1 804 177 73 LYS HB2 H 1.866 0.030 2 805 177 73 LYS HB3 H 1.572 0.030 2 806 177 73 LYS HG2 H 1.340 0.030 1 807 177 73 LYS HG3 H 1.340 0.030 1 808 177 73 LYS HD2 H 1.792 0.030 2 809 177 73 LYS HD3 H 1.672 0.030 2 810 177 73 LYS HE2 H 3.106 0.030 2 811 177 73 LYS HE3 H 3.002 0.030 2 812 177 73 LYS C C 173.817 0.300 1 813 177 73 LYS CA C 54.438 0.300 1 814 177 73 LYS CB C 35.971 0.300 1 815 177 73 LYS CG C 24.959 0.300 1 816 177 73 LYS CD C 28.591 0.300 1 817 177 73 LYS CE C 42.727 0.300 1 818 177 73 LYS N N 120.909 0.300 1 819 178 74 MET H H 8.428 0.030 1 820 178 74 MET HA H 4.863 0.030 1 821 178 74 MET HB2 H 1.998 0.030 2 822 178 74 MET HB3 H 1.825 0.030 2 823 178 74 MET HG2 H 2.508 0.030 2 824 178 74 MET HG3 H 2.007 0.030 2 825 178 74 MET HE H 1.845 0.030 1 826 178 74 MET C C 175.786 0.300 1 827 178 74 MET CA C 54.772 0.300 1 828 178 74 MET CB C 31.248 0.300 1 829 178 74 MET CG C 31.643 0.300 1 830 178 74 MET CE C 16.151 0.300 1 831 178 74 MET N N 124.465 0.300 1 832 179 75 VAL H H 9.643 0.030 1 833 179 75 VAL HA H 4.686 0.030 1 834 179 75 VAL HB H 1.925 0.030 1 835 179 75 VAL HG1 H 0.656 0.030 2 836 179 75 VAL HG2 H 0.649 0.030 2 837 179 75 VAL C C 173.791 0.300 1 838 179 75 VAL CA C 59.353 0.300 1 839 179 75 VAL CB C 33.162 0.300 1 840 179 75 VAL CG1 C 21.114 0.300 2 841 179 75 VAL CG2 C 19.814 0.300 2 842 179 75 VAL N N 124.283 0.300 1 843 180 76 GLU H H 8.881 0.030 1 844 180 76 GLU HA H 4.692 0.030 1 845 180 76 GLU HB2 H 2.037 0.030 2 846 180 76 GLU HB3 H 2.114 0.030 2 847 180 76 GLU HG2 H 1.630 0.030 2 848 180 76 GLU HG3 H 2.034 0.030 2 849 180 76 GLU C C 175.669 0.300 1 850 180 76 GLU CA C 54.896 0.300 1 851 180 76 GLU CB C 32.888 0.300 1 852 180 76 GLU CG C 37.259 0.300 1 853 180 76 GLU N N 123.354 0.300 1 854 181 77 CYS H H 8.939 0.030 1 855 181 77 CYS HA H 5.689 0.030 1 856 181 77 CYS HB2 H 2.763 0.030 2 857 181 77 CYS HB3 H 2.613 0.030 2 858 181 77 CYS C C 173.789 0.300 1 859 181 77 CYS CA C 57.486 0.300 1 860 181 77 CYS CB C 30.490 0.300 1 861 181 77 CYS N N 122.589 0.300 1 862 182 78 LYS H H 9.138 0.030 1 863 182 78 LYS HA H 4.740 0.030 1 864 182 78 LYS HB2 H 2.033 0.030 2 865 182 78 LYS HB3 H 1.644 0.030 2 866 182 78 LYS HG2 H 1.466 0.030 2 867 182 78 LYS HG3 H 1.267 0.030 2 868 182 78 LYS HD2 H 1.502 0.030 1 869 182 78 LYS HD3 H 1.502 0.030 1 870 182 78 LYS HE2 H 2.875 0.030 1 871 182 78 LYS HE3 H 2.875 0.030 1 872 182 78 LYS C C 175.059 0.300 1 873 182 78 LYS CA C 54.490 0.300 1 874 182 78 LYS CB C 37.231 0.300 1 875 182 78 LYS CG C 25.270 0.300 1 876 182 78 LYS CD C 29.440 0.300 1 877 182 78 LYS CE C 42.302 0.300 1 878 182 78 LYS N N 120.909 0.300 1 879 183 79 LYS H H 8.956 0.030 1 880 183 79 LYS HA H 3.980 0.030 1 881 183 79 LYS HB2 H 1.922 0.030 2 882 183 79 LYS HB3 H 1.720 0.030 2 883 183 79 LYS HG2 H 1.327 0.030 2 884 183 79 LYS HG3 H 1.707 0.030 2 885 183 79 LYS HE2 H 2.865 0.030 1 886 183 79 LYS HE3 H 2.865 0.030 1 887 183 79 LYS C C 177.446 0.300 1 888 183 79 LYS CA C 59.054 0.300 1 889 183 79 LYS CB C 32.209 0.300 1 890 183 79 LYS CG C 27.071 0.300 1 891 183 79 LYS CD C 29.536 0.300 1 892 183 79 LYS CE C 42.270 0.300 1 893 183 79 LYS N N 123.177 0.300 1 894 184 80 ALA H H 8.276 0.030 1 895 184 80 ALA HA H 5.335 0.030 1 896 184 80 ALA HB H 1.424 0.030 1 897 184 80 ALA C C 177.375 0.300 1 898 184 80 ALA CA C 52.270 0.300 1 899 184 80 ALA CB C 18.875 0.300 1 900 184 80 ALA N N 126.056 0.300 1 901 185 81 GLN H H 10.246 0.030 1 902 185 81 GLN HA H 4.845 0.030 1 903 185 81 GLN HB2 H 1.796 0.030 2 904 185 81 GLN HB3 H 1.444 0.030 2 905 185 81 GLN HG2 H 2.270 0.030 1 906 185 81 GLN HG3 H 2.270 0.030 1 907 185 81 GLN HE21 H 7.243 0.030 2 908 185 81 GLN HE22 H 6.688 0.030 2 909 185 81 GLN CA C 52.118 0.300 1 910 185 81 GLN CB C 29.087 0.300 1 911 185 81 GLN CG C 32.893 0.300 1 912 185 81 GLN N N 125.683 0.300 1 913 185 81 GLN NE2 N 111.163 0.300 1 914 186 82 PRO HA H 4.440 0.030 1 915 186 82 PRO HB2 H 2.269 0.030 2 916 186 82 PRO HB3 H 1.861 0.030 2 917 186 82 PRO HG2 H 1.947 0.030 2 918 186 82 PRO HG3 H 1.872 0.030 2 919 186 82 PRO HD2 H 3.793 0.030 2 920 186 82 PRO HD3 H 3.619 0.030 2 921 186 82 PRO C C 176.381 0.300 1 922 186 82 PRO CA C 62.692 0.300 1 923 186 82 PRO CB C 32.898 0.300 1 924 186 82 PRO CG C 27.292 0.300 1 925 186 82 PRO CD C 51.000 0.300 1 926 187 83 LYS H H 8.623 0.030 1 927 187 83 LYS HA H 3.968 0.030 1 928 187 83 LYS HB2 H 1.518 0.030 2 929 187 83 LYS HB3 H 1.596 0.030 2 930 187 83 LYS HG2 H 1.205 0.030 1 931 187 83 LYS HG3 H 1.205 0.030 1 932 187 83 LYS HD2 H 1.491 0.030 1 933 187 83 LYS HD3 H 1.491 0.030 1 934 187 83 LYS HE2 H 2.761 0.030 1 935 187 83 LYS HE3 H 2.761 0.030 1 936 187 83 LYS C C 177.320 0.300 1 937 187 83 LYS CA C 58.573 0.300 1 938 187 83 LYS CB C 32.674 0.300 1 939 187 83 LYS CG C 24.856 0.300 1 940 187 83 LYS CD C 29.249 0.300 1 941 187 83 LYS CE C 41.912 0.300 1 942 187 83 LYS N N 123.565 0.300 1 943 188 84 GLU H H 8.814 0.030 1 944 188 84 GLU HA H 4.143 0.030 1 945 188 84 GLU HB2 H 1.941 0.030 2 946 188 84 GLU HB3 H 1.881 0.030 2 947 188 84 GLU HG2 H 2.201 0.030 1 948 188 84 GLU HG3 H 2.201 0.030 1 949 188 84 GLU C C 176.687 0.300 1 950 188 84 GLU CA C 57.453 0.300 1 951 188 84 GLU CB C 29.614 0.300 1 952 188 84 GLU CG C 36.291 0.300 1 953 188 84 GLU N N 119.942 0.300 1 954 189 85 VAL H H 7.758 0.030 1 955 189 85 VAL HA H 4.037 0.030 1 956 189 85 VAL HB H 2.011 0.030 1 957 189 85 VAL HG1 H 0.879 0.030 2 958 189 85 VAL HG2 H 0.832 0.030 2 959 189 85 VAL C C 176.104 0.300 1 960 189 85 VAL CA C 62.472 0.300 1 961 189 85 VAL CB C 32.468 0.300 1 962 189 85 VAL CG1 C 20.903 0.300 2 963 189 85 VAL CG2 C 20.978 0.300 2 964 189 85 VAL N N 119.032 0.300 1 965 190 86 MET H H 7.875 0.030 1 966 190 86 MET HA H 4.377 0.030 1 967 190 86 MET HB2 H 2.007 0.030 2 968 190 86 MET HB3 H 1.860 0.030 2 969 190 86 MET HG2 H 2.214 0.030 1 970 190 86 MET HG3 H 2.214 0.030 1 971 190 86 MET HE H 1.577 0.030 1 972 190 86 MET C C 176.102 0.300 1 973 190 86 MET CA C 55.101 0.300 1 974 190 86 MET CB C 32.568 0.300 1 975 190 86 MET CG C 31.644 0.300 1 976 190 86 MET CE C 16.180 0.300 1 977 190 86 MET N N 121.889 0.300 1 978 191 87 SER H H 8.204 0.030 1 979 191 87 SER HA H 4.714 0.030 1 980 191 87 SER HB2 H 3.783 0.030 1 981 191 87 SER HB3 H 3.783 0.030 1 982 191 87 SER CA C 56.200 0.300 1 983 191 87 SER CB C 63.305 0.300 1 984 191 87 SER N N 117.267 0.300 1 985 192 88 PRO HA H 4.470 0.030 1 986 192 88 PRO HB2 H 1.920 0.030 2 987 192 88 PRO HB3 H 2.290 0.030 2 988 192 88 PRO HG2 H 1.993 0.030 1 989 192 88 PRO HG3 H 1.993 0.030 1 990 192 88 PRO HD2 H 3.703 0.030 1 991 192 88 PRO HD3 H 3.703 0.030 1 992 192 88 PRO C C 177.441 0.300 1 993 192 88 PRO CA C 63.554 0.300 1 994 192 88 PRO CB C 32.106 0.300 1 995 192 88 PRO CG C 27.354 0.300 1 996 192 88 PRO CD C 50.712 0.300 1 997 193 89 THR H H 8.176 0.030 1 998 193 89 THR HA H 4.308 0.030 1 999 193 89 THR HB H 4.238 0.030 1 1000 193 89 THR C C 175.375 0.300 1 1001 193 89 THR CA C 61.996 0.300 1 1002 193 89 THR CB C 69.731 0.300 1 1003 193 89 THR CG2 C 21.584 0.300 1 1004 193 89 THR N N 113.060 0.300 1 1005 194 90 GLY H H 8.302 0.030 1 1006 194 90 GLY HA2 H 3.972 0.030 1 1007 194 90 GLY HA3 H 3.972 0.030 1 1008 194 90 GLY C C 174.337 0.300 1 1009 194 90 GLY CA C 45.540 0.300 1 1010 194 90 GLY N N 111.151 0.300 1 1011 195 91 SER H H 8.170 0.030 1 1012 195 91 SER C C 174.431 0.300 1 1013 195 91 SER CA C 58.337 0.300 1 1014 195 91 SER CB C 63.965 0.300 1 1015 195 91 SER N N 115.702 0.300 1 1016 196 92 ALA H H 8.331 0.030 1 1017 196 92 ALA HA H 4.309 0.030 1 1018 196 92 ALA HB H 1.366 0.030 1 1019 196 92 ALA C C 177.738 0.300 1 1020 196 92 ALA CA C 52.764 0.300 1 1021 196 92 ALA CB C 19.112 0.300 1 1022 196 92 ALA N N 125.865 0.300 1 1023 197 93 ARG H H 8.221 0.030 1 1024 197 93 ARG C C 176.894 0.300 1 1025 197 93 ARG CA C 56.323 0.300 1 1026 197 93 ARG CB C 30.705 0.300 1 1027 197 93 ARG CG C 26.930 0.300 1 1028 197 93 ARG CD C 43.561 0.300 1 1029 197 93 ARG N N 120.018 0.300 1 1030 198 94 GLY H H 8.354 0.030 1 1031 198 94 GLY C C 173.859 0.300 1 1032 198 94 GLY CA C 45.328 0.300 1 1033 198 94 GLY N N 109.984 0.300 1 1034 199 95 ARG H H 8.145 0.030 1 1035 199 95 ARG C C 175.570 0.300 1 1036 199 95 ARG CA C 55.933 0.300 1 1037 199 95 ARG CB C 30.927 0.300 1 1038 199 95 ARG CG C 26.951 0.300 1 1039 199 95 ARG CD C 43.307 0.300 1 1040 199 95 ARG N N 120.825 0.300 1 stop_ save_