data_36058 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Refined solution structure of musashi1 RBD2 ; _BMRB_accession_number 36058 _BMRB_flat_file_name bmr36058.str _Entry_type original _Submission_date 2017-02-09 _Accession_date 2017-05-29 _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" 510 "13C chemical shifts" 403 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-12-11 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 36059 'Solution structure of musashi1 RBD2 in complex with RNA' stop_ _Original_release_date 2017-05-29 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Refined solution structure of musashi1 RBD2 ; _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' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 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 . HIS 4 . 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_ #################### # 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' 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' . Escherichia coli . VECTOR pET15B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '250 uM [U-100% 13C; U-100% 15N] Msi1 RBD2, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 250 uM '[U-100% 13C; U-100% 15N]' 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_ ############################# # 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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _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 . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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 1 109 5 LYS H H 8.348 0.030 1 2 109 5 LYS HA H 4.334 0.030 1 3 109 5 LYS HB2 H 2.486 0.030 1 4 109 5 LYS HB3 H 2.486 0.030 1 5 109 5 LYS HG2 H 1.380 0.030 2 6 109 5 LYS HG3 H 1.073 0.030 2 7 109 5 LYS HE2 H 3.009 0.030 2 8 109 5 LYS HE3 H 2.273 0.030 2 9 109 5 LYS C C 173.786 0.300 1 10 109 5 LYS CA C 56.769 0.300 1 11 109 5 LYS CB C 32.697 0.300 1 12 109 5 LYS CG C 26.427 0.300 1 13 109 5 LYS CD C 29.336 0.300 1 14 109 5 LYS CE C 42.329 0.300 1 15 109 5 LYS N N 119.144 0.300 1 16 110 6 LYS H H 7.402 0.030 1 17 110 6 LYS HA H 5.449 0.030 1 18 110 6 LYS HB2 H 1.677 0.030 2 19 110 6 LYS HB3 H 1.610 0.030 2 20 110 6 LYS HG2 H 1.360 0.030 1 21 110 6 LYS HG3 H 1.360 0.030 1 22 110 6 LYS HE2 H 2.454 0.030 2 23 110 6 LYS HE3 H 2.578 0.030 2 24 110 6 LYS C C 175.808 0.300 1 25 110 6 LYS CA C 54.775 0.300 1 26 110 6 LYS CB C 36.652 0.300 1 27 110 6 LYS CG C 24.708 0.300 1 28 110 6 LYS CD C 29.446 0.300 1 29 110 6 LYS CE C 41.462 0.300 1 30 110 6 LYS N N 119.660 0.300 1 31 111 7 ILE H H 9.124 0.030 1 32 111 7 ILE HA H 4.958 0.030 1 33 111 7 ILE HB H 1.804 0.030 1 34 111 7 ILE HG12 H 1.244 0.030 2 35 111 7 ILE HG13 H 0.947 0.030 2 36 111 7 ILE HG2 H 0.706 0.030 1 37 111 7 ILE HD1 H 0.191 0.030 1 38 111 7 ILE C C 174.793 0.300 1 39 111 7 ILE CA C 59.114 0.300 1 40 111 7 ILE CB C 40.552 0.300 1 41 111 7 ILE CG1 C 26.261 0.300 1 42 111 7 ILE CG2 C 20.015 0.300 1 43 111 7 ILE CD1 C 14.604 0.300 1 44 111 7 ILE N N 116.486 0.300 1 45 112 8 PHE H H 9.157 0.030 1 46 112 8 PHE HA H 4.679 0.030 1 47 112 8 PHE HB2 H 2.744 0.030 2 48 112 8 PHE HB3 H 2.961 0.030 2 49 112 8 PHE HD1 H 6.875 0.030 1 50 112 8 PHE HD2 H 6.875 0.030 1 51 112 8 PHE HE1 H 6.932 0.030 1 52 112 8 PHE HE2 H 6.932 0.030 1 53 112 8 PHE C C 173.983 0.300 1 54 112 8 PHE CA C 56.686 0.300 1 55 112 8 PHE CB C 41.173 0.300 1 56 112 8 PHE CD1 C 131.698 0.300 1 57 112 8 PHE CD2 C 131.698 0.300 1 58 112 8 PHE CE1 C 131.240 0.300 1 59 112 8 PHE CE2 C 131.240 0.300 1 60 112 8 PHE N N 124.107 0.300 1 61 113 9 VAL H H 7.852 0.030 1 62 113 9 VAL HA H 4.866 0.030 1 63 113 9 VAL HB H 1.474 0.030 1 64 113 9 VAL HG1 H 0.648 0.030 2 65 113 9 VAL HG2 H 0.598 0.030 2 66 113 9 VAL C C 173.251 0.300 1 67 113 9 VAL CA C 59.154 0.300 1 68 113 9 VAL CB C 33.812 0.300 1 69 113 9 VAL CG1 C 20.996 0.300 2 70 113 9 VAL CG2 C 21.075 0.300 2 71 113 9 VAL N N 125.507 0.300 1 72 114 10 GLY H H 8.763 0.030 1 73 114 10 GLY HA2 H 3.792 0.030 2 74 114 10 GLY HA3 H 4.769 0.030 2 75 114 10 GLY C C 173.248 0.300 1 76 114 10 GLY CA C 44.009 0.300 1 77 114 10 GLY N N 110.905 0.300 1 78 115 11 GLY H H 8.069 0.030 1 79 115 11 GLY HA2 H 3.803 0.030 2 80 115 11 GLY HA3 H 4.402 0.030 2 81 115 11 GLY C C 175.394 0.300 1 82 115 11 GLY CA C 45.702 0.300 1 83 115 11 GLY N N 108.445 0.300 1 84 116 12 LEU H H 7.966 0.030 1 85 116 12 LEU HA H 4.120 0.030 1 86 116 12 LEU HB2 H 1.166 0.030 2 87 116 12 LEU HB3 H 1.050 0.030 2 88 116 12 LEU HG H 1.301 0.030 1 89 116 12 LEU HD1 H 0.623 0.030 2 90 116 12 LEU HD2 H 0.250 0.030 2 91 116 12 LEU C C 178.108 0.300 1 92 116 12 LEU CA C 54.448 0.300 1 93 116 12 LEU CB C 43.272 0.300 1 94 116 12 LEU CG C 26.796 0.300 1 95 116 12 LEU CD1 C 24.643 0.300 2 96 116 12 LEU CD2 C 26.840 0.300 2 97 116 12 LEU N N 118.301 0.300 1 98 117 13 SER H H 8.714 0.030 1 99 117 13 SER HA H 4.130 0.030 1 100 117 13 SER HB2 H 3.892 0.030 2 101 117 13 SER HB3 H 4.301 0.030 2 102 117 13 SER C C 176.565 0.300 1 103 117 13 SER CA C 57.508 0.300 1 104 117 13 SER CB C 64.502 0.300 1 105 117 13 SER N N 117.947 0.300 1 106 118 14 VAL H H 8.691 0.030 1 107 118 14 VAL HA H 3.526 0.030 1 108 118 14 VAL HB H 2.013 0.030 1 109 118 14 VAL HG1 H 0.888 0.030 2 110 118 14 VAL HG2 H 0.916 0.030 2 111 118 14 VAL C C 175.960 0.300 1 112 118 14 VAL CA C 65.159 0.300 1 113 118 14 VAL CB C 31.714 0.300 1 114 118 14 VAL CG1 C 20.507 0.300 2 115 118 14 VAL CG2 C 20.876 0.300 2 116 118 14 VAL N N 121.485 0.300 1 117 119 15 ASN H H 7.934 0.030 1 118 119 15 ASN HA H 4.758 0.030 1 119 119 15 ASN HB2 H 2.858 0.030 2 120 119 15 ASN HB3 H 2.783 0.030 2 121 119 15 ASN HD21 H 7.651 0.030 2 122 119 15 ASN HD22 H 6.968 0.030 2 123 119 15 ASN C C 175.242 0.300 1 124 119 15 ASN CA C 53.066 0.300 1 125 119 15 ASN CB C 38.050 0.300 1 126 119 15 ASN N N 114.659 0.300 1 127 119 15 ASN ND2 N 113.450 0.300 1 128 120 16 THR H H 7.686 0.030 1 129 120 16 THR HA H 4.166 0.030 1 130 120 16 THR HB H 4.180 0.030 1 131 120 16 THR HG2 H 1.197 0.030 1 132 120 16 THR C C 173.483 0.300 1 133 120 16 THR CA C 64.215 0.300 1 134 120 16 THR CB C 69.275 0.300 1 135 120 16 THR CG2 C 22.746 0.300 1 136 120 16 THR N N 118.726 0.300 1 137 121 17 THR H H 8.713 0.030 1 138 121 17 THR HA H 4.753 0.030 1 139 121 17 THR HB H 4.753 0.030 1 140 121 17 THR HG2 H 1.308 0.030 1 141 121 17 THR C C 176.055 0.300 1 142 121 17 THR CA C 60.022 0.300 1 143 121 17 THR CB C 72.648 0.300 1 144 121 17 THR CG2 C 21.595 0.300 1 145 121 17 THR N N 117.673 0.300 1 146 122 18 VAL H H 9.179 0.030 1 147 122 18 VAL HA H 3.487 0.030 1 148 122 18 VAL HB H 2.018 0.030 1 149 122 18 VAL HG1 H 0.923 0.030 2 150 122 18 VAL HG2 H 0.954 0.030 2 151 122 18 VAL C C 176.724 0.300 1 152 122 18 VAL CA C 65.778 0.300 1 153 122 18 VAL CB C 31.524 0.300 1 154 122 18 VAL CG1 C 22.954 0.300 2 155 122 18 VAL CG2 C 20.391 0.300 2 156 122 18 VAL N N 120.897 0.300 1 157 123 19 GLU H H 8.164 0.030 1 158 123 19 GLU HA H 3.823 0.030 1 159 123 19 GLU HB2 H 1.999 0.030 2 160 123 19 GLU HB3 H 1.800 0.030 2 161 123 19 GLU HG2 H 2.194 0.030 2 162 123 19 GLU HG3 H 2.376 0.030 2 163 123 19 GLU C C 178.510 0.300 1 164 123 19 GLU CA C 60.300 0.300 1 165 123 19 GLU CB C 28.464 0.300 1 166 123 19 GLU CG C 37.084 0.300 1 167 123 19 GLU N N 121.166 0.300 1 168 124 20 ASP H H 7.704 0.030 1 169 124 20 ASP HA H 4.342 0.030 1 170 124 20 ASP HB2 H 3.158 0.030 2 171 124 20 ASP HB3 H 2.487 0.030 2 172 124 20 ASP C C 179.627 0.300 1 173 124 20 ASP CA C 57.374 0.300 1 174 124 20 ASP CB C 41.619 0.300 1 175 124 20 ASP N N 119.881 0.300 1 176 125 21 VAL H H 7.475 0.030 1 177 125 21 VAL HA H 3.497 0.030 1 178 125 21 VAL HB H 2.174 0.030 1 179 125 21 VAL HG1 H 0.866 0.030 2 180 125 21 VAL HG2 H 0.872 0.030 2 181 125 21 VAL C C 176.954 0.300 1 182 125 21 VAL CA C 67.005 0.300 1 183 125 21 VAL CB C 31.736 0.300 1 184 125 21 VAL CG1 C 24.160 0.300 2 185 125 21 VAL CG2 C 21.855 0.300 2 186 125 21 VAL N N 119.838 0.300 1 187 126 22 LYS H H 8.577 0.030 1 188 126 22 LYS HA H 3.702 0.030 1 189 126 22 LYS HB2 H 1.829 0.030 2 190 126 22 LYS HB3 H 1.623 0.030 2 191 126 22 LYS HG2 H 1.227 0.030 2 192 126 22 LYS HG3 H 1.257 0.030 2 193 126 22 LYS HD2 H 1.598 0.030 1 194 126 22 LYS HD3 H 1.598 0.030 1 195 126 22 LYS HE2 H 2.822 0.030 1 196 126 22 LYS HE3 H 2.822 0.030 1 197 126 22 LYS C C 177.278 0.300 1 198 126 22 LYS CA C 61.459 0.300 1 199 126 22 LYS CB C 32.777 0.300 1 200 126 22 LYS CG C 25.833 0.300 1 201 126 22 LYS CD C 29.735 0.300 1 202 126 22 LYS CE C 41.985 0.300 1 203 126 22 LYS N N 120.170 0.300 1 204 127 23 HIS H H 8.536 0.030 1 205 127 23 HIS HA H 4.506 0.030 1 206 127 23 HIS HB2 H 3.313 0.030 2 207 127 23 HIS HB3 H 3.240 0.030 2 208 127 23 HIS HD2 H 7.332 0.030 1 209 127 23 HIS C C 177.216 0.300 1 210 127 23 HIS CA C 58.126 0.300 1 211 127 23 HIS CB C 28.464 0.300 1 212 127 23 HIS CD2 C 120.100 0.300 1 213 127 23 HIS N N 113.458 0.300 1 214 128 24 TYR H H 7.823 0.030 1 215 128 24 TYR HA H 4.069 0.030 1 216 128 24 TYR HB2 H 2.660 0.030 2 217 128 24 TYR HB3 H 3.049 0.030 2 218 128 24 TYR C C 178.127 0.300 1 219 128 24 TYR CA C 62.145 0.300 1 220 128 24 TYR CB C 38.091 0.300 1 221 128 24 TYR N N 117.840 0.300 1 222 129 25 PHE H H 8.100 0.030 1 223 129 25 PHE HA H 4.414 0.030 1 224 129 25 PHE HB2 H 2.775 0.030 2 225 129 25 PHE HB3 H 3.550 0.030 2 226 129 25 PHE HD1 H 7.513 0.030 1 227 129 25 PHE HD2 H 7.513 0.030 1 228 129 25 PHE HE1 H 6.686 0.030 1 229 129 25 PHE HE2 H 6.686 0.030 1 230 129 25 PHE C C 177.521 0.300 1 231 129 25 PHE CA C 63.606 0.300 1 232 129 25 PHE CB C 38.769 0.300 1 233 129 25 PHE CD1 C 132.024 0.300 1 234 129 25 PHE CD2 C 132.024 0.300 1 235 129 25 PHE CE1 C 131.070 0.300 1 236 129 25 PHE CE2 C 131.070 0.300 1 237 129 25 PHE N N 115.480 0.300 1 238 130 26 GLU H H 8.415 0.030 1 239 130 26 GLU HA H 5.069 0.030 1 240 130 26 GLU HB2 H 2.220 0.030 2 241 130 26 GLU HB3 H 2.003 0.030 2 242 130 26 GLU HG2 H 2.463 0.030 2 243 130 26 GLU HG3 H 2.584 0.030 2 244 130 26 GLU C C 177.923 0.300 1 245 130 26 GLU CA C 57.715 0.300 1 246 130 26 GLU CB C 29.166 0.300 1 247 130 26 GLU CG C 37.616 0.300 1 248 130 26 GLU N N 120.266 0.300 1 249 131 27 GLN H H 7.119 0.030 1 250 131 27 GLN HA H 3.996 0.030 1 251 131 27 GLN HB2 H 1.600 0.030 1 252 131 27 GLN HB3 H 1.600 0.030 1 253 131 27 GLN HG2 H 1.322 0.030 2 254 131 27 GLN HG3 H 1.826 0.030 2 255 131 27 GLN HE21 H 6.611 0.030 2 256 131 27 GLN HE22 H 6.428 0.030 2 257 131 27 GLN C C 176.790 0.300 1 258 131 27 GLN CA C 57.756 0.300 1 259 131 27 GLN CB C 29.122 0.300 1 260 131 27 GLN CG C 33.803 0.300 1 261 131 27 GLN N N 115.832 0.300 1 262 131 27 GLN NE2 N 111.979 0.300 1 263 132 28 PHE H H 7.957 0.030 1 264 132 28 PHE HA H 4.372 0.030 1 265 132 28 PHE HB2 H 2.966 0.030 1 266 132 28 PHE HB3 H 2.966 0.030 1 267 132 28 PHE HD1 H 7.367 0.030 1 268 132 28 PHE HD2 H 7.367 0.030 1 269 132 28 PHE HE1 H 7.186 0.030 1 270 132 28 PHE HE2 H 7.186 0.030 1 271 132 28 PHE C C 175.392 0.300 1 272 132 28 PHE CA C 59.319 0.300 1 273 132 28 PHE CB C 39.983 0.300 1 274 132 28 PHE CD1 C 131.722 0.300 1 275 132 28 PHE CD2 C 131.722 0.300 1 276 132 28 PHE CE1 C 131.696 0.300 1 277 132 28 PHE CE2 C 131.696 0.300 1 278 132 28 PHE N N 116.654 0.300 1 279 133 29 GLY H H 7.571 0.030 1 280 133 29 GLY HA2 H 3.974 0.030 2 281 133 29 GLY HA3 H 4.081 0.030 2 282 133 29 GLY C C 169.958 0.300 1 283 133 29 GLY CA C 44.811 0.300 1 284 133 29 GLY N N 105.444 0.300 1 285 134 30 LYS H H 7.971 0.030 1 286 134 30 LYS HA H 4.201 0.030 1 287 134 30 LYS HB2 H 1.738 0.030 1 288 134 30 LYS HB3 H 1.738 0.030 1 289 134 30 LYS HG2 H 1.315 0.030 2 290 134 30 LYS HG3 H 1.408 0.030 2 291 134 30 LYS HE2 H 2.423 0.030 2 292 134 30 LYS C C 176.822 0.300 1 293 134 30 LYS CA C 57.974 0.300 1 294 134 30 LYS CB C 32.864 0.300 1 295 134 30 LYS CG C 24.814 0.300 1 296 134 30 LYS CE C 42.296 0.300 1 297 134 30 LYS N N 117.172 0.300 1 298 135 31 VAL H H 8.847 0.030 1 299 135 31 VAL HA H 3.941 0.030 1 300 135 31 VAL HB H 1.941 0.030 1 301 135 31 VAL HG1 H 0.606 0.030 2 302 135 31 VAL HG2 H 0.823 0.030 2 303 135 31 VAL C C 175.440 0.300 1 304 135 31 VAL CA C 61.993 0.300 1 305 135 31 VAL CB C 33.359 0.300 1 306 135 31 VAL CG1 C 22.563 0.300 2 307 135 31 VAL CG2 C 22.042 0.300 2 308 135 31 VAL N N 128.829 0.300 1 309 136 32 ASP H H 8.641 0.030 1 310 136 32 ASP HA H 4.607 0.030 1 311 136 32 ASP HB2 H 2.449 0.030 2 312 136 32 ASP HB3 H 2.008 0.030 2 313 136 32 ASP C C 176.012 0.300 1 314 136 32 ASP CA C 55.699 0.300 1 315 136 32 ASP CB C 41.899 0.300 1 316 136 32 ASP N N 129.127 0.300 1 317 137 33 ASP H H 7.625 0.030 1 318 137 33 ASP HA H 4.667 0.030 1 319 137 33 ASP HB2 H 2.285 0.030 2 320 137 33 ASP HB3 H 2.619 0.030 2 321 137 33 ASP C C 173.139 0.300 1 322 137 33 ASP CA C 53.930 0.300 1 323 137 33 ASP CB C 44.285 0.300 1 324 137 33 ASP N N 115.546 0.300 1 325 138 34 ALA H H 8.096 0.030 1 326 138 34 ALA HA H 4.864 0.030 1 327 138 34 ALA HB H 1.098 0.030 1 328 138 34 ALA C C 174.154 0.300 1 329 138 34 ALA CA C 51.831 0.300 1 330 138 34 ALA CB C 21.881 0.300 1 331 138 34 ALA N N 122.296 0.300 1 332 139 35 MET H H 8.581 0.030 1 333 139 35 MET HA H 4.667 0.030 1 334 139 35 MET HB2 H 2.049 0.030 1 335 139 35 MET HB3 H 2.049 0.030 1 336 139 35 MET HG2 H 2.525 0.030 1 337 139 35 MET HG3 H 2.525 0.030 1 338 139 35 MET HE H 2.098 0.030 1 339 139 35 MET C C 173.594 0.300 1 340 139 35 MET CA C 54.547 0.300 1 341 139 35 MET CB C 35.124 0.300 1 342 139 35 MET CG C 30.880 0.300 1 343 139 35 MET CE C 17.444 0.300 1 344 139 35 MET N N 118.201 0.300 1 345 140 36 LEU H H 8.603 0.030 1 346 140 36 LEU HA H 4.600 0.030 1 347 140 36 LEU HB2 H 1.465 0.030 2 348 140 36 LEU HB3 H 0.806 0.030 2 349 140 36 LEU HG H 1.288 0.030 1 350 140 36 LEU HD1 H 0.323 0.030 2 351 140 36 LEU HD2 H 0.258 0.030 2 352 140 36 LEU C C 175.645 0.300 1 353 140 36 LEU CA C 53.271 0.300 1 354 140 36 LEU CB C 42.997 0.300 1 355 140 36 LEU CG C 27.195 0.300 1 356 140 36 LEU CD1 C 24.825 0.300 2 357 140 36 LEU CD2 C 22.821 0.300 2 358 140 36 LEU N N 121.476 0.300 1 359 141 37 MET H H 7.772 0.030 1 360 141 37 MET HA H 4.695 0.030 1 361 141 37 MET HB2 H 1.553 0.030 2 362 141 37 MET HB3 H 1.055 0.030 2 363 141 37 MET HG2 H 2.488 0.030 2 364 141 37 MET HG3 H 2.303 0.030 2 365 141 37 MET HE H 2.213 0.030 1 366 141 37 MET C C 175.268 0.300 1 367 141 37 MET CA C 54.134 0.300 1 368 141 37 MET CB C 31.235 0.300 1 369 141 37 MET CG C 33.010 0.300 1 370 141 37 MET CE C 17.366 0.300 1 371 141 37 MET N N 119.683 0.300 1 372 142 38 PHE H H 8.899 0.030 1 373 142 38 PHE HA H 4.639 0.030 1 374 142 38 PHE HB2 H 2.940 0.030 2 375 142 38 PHE HB3 H 2.789 0.030 2 376 142 38 PHE HD1 H 6.986 0.030 1 377 142 38 PHE HD2 H 6.986 0.030 1 378 142 38 PHE HE1 H 7.294 0.030 1 379 142 38 PHE HE2 H 7.294 0.030 1 380 142 38 PHE HZ H 7.078 0.030 1 381 142 38 PHE C C 175.096 0.300 1 382 142 38 PHE CA C 58.455 0.300 1 383 142 38 PHE CB C 42.200 0.300 1 384 142 38 PHE CD1 C 131.534 0.300 1 385 142 38 PHE CD2 C 131.534 0.300 1 386 142 38 PHE CE1 C 131.526 0.300 1 387 142 38 PHE CE2 C 131.526 0.300 1 388 142 38 PHE CZ C 129.395 0.300 1 389 142 38 PHE N N 124.343 0.300 1 390 143 39 ASP H H 8.254 0.030 1 391 143 39 ASP HA H 4.794 0.030 1 392 143 39 ASP HB2 H 2.333 0.030 2 393 143 39 ASP HB3 H 3.178 0.030 2 394 143 39 ASP C C 176.382 0.300 1 395 143 39 ASP CA C 53.107 0.300 1 396 143 39 ASP CB C 42.394 0.300 1 397 143 39 ASP N N 123.866 0.300 1 398 144 40 LYS H H 8.897 0.030 1 399 144 40 LYS HA H 4.168 0.030 1 400 144 40 LYS HB2 H 1.921 0.030 1 401 144 40 LYS HB3 H 1.921 0.030 1 402 144 40 LYS HG2 H 1.550 0.030 1 403 144 40 LYS HG3 H 1.550 0.030 1 404 144 40 LYS HD2 H 1.731 0.030 1 405 144 40 LYS HD3 H 1.731 0.030 1 406 144 40 LYS HE2 H 2.991 0.030 1 407 144 40 LYS HE3 H 2.991 0.030 1 408 144 40 LYS C C 177.620 0.300 1 409 144 40 LYS CA C 58.373 0.300 1 410 144 40 LYS CB C 32.331 0.300 1 411 144 40 LYS CG C 25.025 0.300 1 412 144 40 LYS CD C 29.155 0.300 1 413 144 40 LYS CE C 42.054 0.300 1 414 144 40 LYS N N 125.456 0.300 1 415 145 41 THR H H 8.635 0.030 1 416 145 41 THR HA H 4.191 0.030 1 417 145 41 THR HB H 4.306 0.030 1 418 145 41 THR HG2 H 1.233 0.030 1 419 145 41 THR C C 176.019 0.300 1 420 145 41 THR CA C 64.873 0.300 1 421 145 41 THR CB C 68.904 0.300 1 422 145 41 THR CG2 C 21.996 0.300 1 423 145 41 THR N N 113.214 0.300 1 424 146 42 THR H H 7.512 0.030 1 425 146 42 THR HA H 4.318 0.030 1 426 146 42 THR HB H 4.215 0.030 1 427 146 42 THR HG2 H 1.118 0.030 1 428 146 42 THR C C 175.414 0.300 1 429 146 42 THR CA C 61.664 0.300 1 430 146 42 THR CB C 70.400 0.300 1 431 146 42 THR CG2 C 21.706 0.300 1 432 146 42 THR N N 110.047 0.300 1 433 147 43 ASN H H 8.324 0.030 1 434 147 43 ASN HA H 4.425 0.030 1 435 147 43 ASN HB2 H 3.130 0.030 2 436 147 43 ASN HB3 H 2.750 0.030 2 437 147 43 ASN HD21 H 7.481 0.030 2 438 147 43 ASN HD22 H 6.713 0.030 2 439 147 43 ASN C C 173.906 0.300 1 440 147 43 ASN CA C 54.629 0.300 1 441 147 43 ASN CB C 37.844 0.300 1 442 147 43 ASN N N 117.905 0.300 1 443 147 43 ASN ND2 N 111.989 0.300 1 444 148 44 ARG H H 7.615 0.030 1 445 148 44 ARG HA H 4.681 0.030 1 446 148 44 ARG HB2 H 1.735 0.030 2 447 148 44 ARG HB3 H 1.551 0.030 2 448 148 44 ARG HG2 H 1.543 0.030 1 449 148 44 ARG HG3 H 1.543 0.030 1 450 148 44 ARG HD2 H 3.142 0.030 2 451 148 44 ARG HD3 H 3.059 0.030 2 452 148 44 ARG C C 175.796 0.300 1 453 148 44 ARG CA C 54.547 0.300 1 454 148 44 ARG CB C 33.154 0.300 1 455 148 44 ARG CG C 26.889 0.300 1 456 148 44 ARG CD C 43.570 0.300 1 457 148 44 ARG N N 116.648 0.300 1 458 149 45 HIS H H 8.266 0.030 1 459 149 45 HIS HA H 4.623 0.030 1 460 149 45 HIS HB2 H 2.388 0.030 2 461 149 45 HIS HB3 H 2.874 0.030 2 462 149 45 HIS HD2 H 7.049 0.030 1 463 149 45 HIS HE1 H 7.177 0.030 1 464 149 45 HIS C C 176.369 0.300 1 465 149 45 HIS CA C 56.110 0.300 1 466 149 45 HIS CB C 31.097 0.300 1 467 149 45 HIS CD2 C 119.526 0.300 1 468 149 45 HIS CE1 C 138.567 0.300 1 469 149 45 HIS N N 119.310 0.300 1 470 150 46 ARG H H 8.552 0.030 1 471 150 46 ARG HA H 4.329 0.030 1 472 150 46 ARG HB2 H 1.085 0.030 2 473 150 46 ARG HB3 H 2.418 0.030 2 474 150 46 ARG HG2 H 1.479 0.030 2 475 150 46 ARG HG3 H 1.665 0.030 2 476 150 46 ARG HD2 H 3.135 0.030 2 477 150 46 ARG HD3 H 3.010 0.030 2 478 150 46 ARG C C 177.281 0.300 1 479 150 46 ARG CA C 56.190 0.300 1 480 150 46 ARG CB C 31.958 0.300 1 481 150 46 ARG CG C 28.036 0.300 1 482 150 46 ARG CD C 43.878 0.300 1 483 150 46 ARG N N 117.834 0.300 1 484 151 47 GLY H H 10.854 0.030 1 485 151 47 GLY HA2 H 3.778 0.030 2 486 151 47 GLY HA3 H 4.415 0.030 2 487 151 47 GLY C C 172.486 0.300 1 488 151 47 GLY CA C 45.619 0.300 1 489 151 47 GLY N N 113.138 0.300 1 490 152 48 PHE H H 7.145 0.030 1 491 152 48 PHE HA H 5.447 0.030 1 492 152 48 PHE HB2 H 3.104 0.030 2 493 152 48 PHE HB3 H 2.786 0.030 2 494 152 48 PHE HD1 H 6.887 0.030 1 495 152 48 PHE HD2 H 6.887 0.030 1 496 152 48 PHE HE1 H 7.408 0.030 1 497 152 48 PHE HE2 H 7.408 0.030 1 498 152 48 PHE C C 172.709 0.300 1 499 152 48 PHE CA C 54.495 0.300 1 500 152 48 PHE CB C 42.465 0.300 1 501 152 48 PHE CD1 C 132.946 0.300 1 502 152 48 PHE CD2 C 132.946 0.300 1 503 152 48 PHE CE1 C 130.780 0.300 1 504 152 48 PHE CE2 C 130.780 0.300 1 505 152 48 PHE N N 113.249 0.300 1 506 153 49 GLY H H 8.342 0.030 1 507 153 49 GLY HA2 H 4.130 0.030 2 508 153 49 GLY HA3 H 3.798 0.030 2 509 153 49 GLY C C 169.636 0.300 1 510 153 49 GLY CA C 45.083 0.300 1 511 153 49 GLY N N 105.480 0.300 1 512 154 50 PHE H H 8.596 0.030 1 513 154 50 PHE HA H 5.839 0.030 1 514 154 50 PHE HB2 H 2.810 0.030 2 515 154 50 PHE HB3 H 2.607 0.030 2 516 154 50 PHE HD1 H 7.177 0.030 1 517 154 50 PHE HD2 H 7.177 0.030 1 518 154 50 PHE HE1 H 7.546 0.030 1 519 154 50 PHE HE2 H 7.546 0.030 1 520 154 50 PHE HZ H 7.484 0.030 1 521 154 50 PHE C C 175.367 0.300 1 522 154 50 PHE CA C 56.275 0.300 1 523 154 50 PHE CB C 44.218 0.300 1 524 154 50 PHE CD1 C 132.265 0.300 1 525 154 50 PHE CD2 C 132.265 0.300 1 526 154 50 PHE CE1 C 131.139 0.300 1 527 154 50 PHE CE2 C 131.139 0.300 1 528 154 50 PHE CZ C 129.989 0.300 1 529 154 50 PHE N N 114.468 0.300 1 530 155 51 VAL H H 8.538 0.030 1 531 155 51 VAL HA H 4.325 0.030 1 532 155 51 VAL HB H 1.166 0.030 1 533 155 51 VAL HG1 H 0.427 0.030 2 534 155 51 VAL HG2 H 0.070 0.030 2 535 155 51 VAL C C 173.456 0.300 1 536 155 51 VAL CA C 61.006 0.300 1 537 155 51 VAL CB C 34.758 0.300 1 538 155 51 VAL CG1 C 21.629 0.300 2 539 155 51 VAL CG2 C 21.666 0.300 2 540 155 51 VAL N N 122.214 0.300 1 541 156 52 THR H H 8.819 0.030 1 542 156 52 THR HA H 4.897 0.030 1 543 156 52 THR HB H 3.792 0.030 1 544 156 52 THR HG2 H 1.137 0.030 1 545 156 52 THR C C 173.833 0.300 1 546 156 52 THR CA C 61.171 0.300 1 547 156 52 THR CB C 69.806 0.300 1 548 156 52 THR CG2 C 21.838 0.300 1 549 156 52 THR N N 122.308 0.300 1 550 157 53 PHE H H 8.960 0.030 1 551 157 53 PHE HA H 4.971 0.030 1 552 157 53 PHE HB2 H 2.625 0.030 2 553 157 53 PHE HB3 H 3.529 0.030 2 554 157 53 PHE HD1 H 7.100 0.030 1 555 157 53 PHE HD2 H 7.100 0.030 1 556 157 53 PHE HE1 H 6.947 0.030 1 557 157 53 PHE HE2 H 6.947 0.030 1 558 157 53 PHE HZ H 6.839 0.030 1 559 157 53 PHE C C 175.149 0.300 1 560 157 53 PHE CA C 57.838 0.300 1 561 157 53 PHE CB C 41.874 0.300 1 562 157 53 PHE CD1 C 132.525 0.300 1 563 157 53 PHE CD2 C 132.525 0.300 1 564 157 53 PHE CE1 C 130.588 0.300 1 565 157 53 PHE CE2 C 130.588 0.300 1 566 157 53 PHE CZ C 128.270 0.300 1 567 157 53 PHE N N 126.144 0.300 1 568 158 54 GLU H H 8.036 0.030 1 569 158 54 GLU HA H 4.201 0.030 1 570 158 54 GLU HB2 H 2.048 0.030 1 571 158 54 GLU HB3 H 2.048 0.030 1 572 158 54 GLU HG2 H 2.285 0.030 1 573 158 54 GLU HG3 H 2.285 0.030 1 574 158 54 GLU C C 176.428 0.300 1 575 158 54 GLU CA C 58.578 0.300 1 576 158 54 GLU CB C 30.644 0.300 1 577 158 54 GLU CG C 36.603 0.300 1 578 158 54 GLU N N 117.961 0.300 1 579 159 55 SER H H 8.064 0.030 1 580 159 55 SER HA H 4.804 0.030 1 581 159 55 SER HB2 H 3.974 0.030 2 582 159 55 SER HB3 H 3.832 0.030 2 583 159 55 SER C C 175.308 0.300 1 584 159 55 SER CA C 56.398 0.300 1 585 159 55 SER CB C 64.968 0.300 1 586 159 55 SER N N 110.260 0.300 1 587 160 56 GLU H H 9.620 0.030 1 588 160 56 GLU HA H 4.004 0.030 1 589 160 56 GLU HB2 H 2.021 0.030 1 590 160 56 GLU HB3 H 2.021 0.030 1 591 160 56 GLU HG2 H 2.275 0.030 1 592 160 56 GLU HG3 H 2.275 0.030 1 593 160 56 GLU C C 177.614 0.300 1 594 160 56 GLU CA C 59.278 0.300 1 595 160 56 GLU CB C 29.575 0.300 1 596 160 56 GLU CG C 36.507 0.300 1 597 160 56 GLU N N 126.908 0.300 1 598 161 57 ASP H H 8.328 0.030 1 599 161 57 ASP HA H 4.336 0.030 1 600 161 57 ASP HB2 H 2.637 0.030 2 601 161 57 ASP HB3 H 2.519 0.030 2 602 161 57 ASP C C 178.523 0.300 1 603 161 57 ASP CA C 56.933 0.300 1 604 161 57 ASP CB C 39.983 0.300 1 605 161 57 ASP N N 119.105 0.300 1 606 162 58 ILE H H 7.217 0.030 1 607 162 58 ILE HA H 3.602 0.030 1 608 162 58 ILE HB H 1.706 0.030 1 609 162 58 ILE HG12 H 1.458 0.030 1 610 162 58 ILE HG13 H 1.458 0.030 1 611 162 58 ILE HG2 H 0.062 0.030 1 612 162 58 ILE HD1 H 0.821 0.030 1 613 162 58 ILE C C 177.284 0.300 1 614 162 58 ILE CA C 61.870 0.300 1 615 162 58 ILE CB C 35.746 0.300 1 616 162 58 ILE CG1 C 27.708 0.300 1 617 162 58 ILE CG2 C 18.622 0.300 1 618 162 58 ILE CD1 C 10.212 0.300 1 619 162 58 ILE N N 120.114 0.300 1 620 163 59 VAL H H 6.777 0.030 1 621 163 59 VAL HA H 2.920 0.030 1 622 163 59 VAL HB H 2.356 0.030 1 623 163 59 VAL HG1 H 1.021 0.030 2 624 163 59 VAL HG2 H 0.745 0.030 2 625 163 59 VAL C C 177.811 0.300 1 626 163 59 VAL CA C 67.177 0.300 1 627 163 59 VAL CB C 31.427 0.300 1 628 163 59 VAL CG1 C 24.132 0.300 2 629 163 59 VAL CG2 C 21.452 0.300 2 630 163 59 VAL N N 119.604 0.300 1 631 164 60 GLU H H 7.578 0.030 1 632 164 60 GLU HA H 3.836 0.030 1 633 164 60 GLU HB2 H 2.036 0.030 1 634 164 60 GLU HB3 H 2.036 0.030 1 635 164 60 GLU HG2 H 2.330 0.030 1 636 164 60 GLU HG3 H 2.330 0.030 1 637 164 60 GLU C C 178.905 0.300 1 638 164 60 GLU CA C 59.194 0.300 1 639 164 60 GLU CB C 28.951 0.300 1 640 164 60 GLU CG C 35.366 0.300 1 641 164 60 GLU N N 116.684 0.300 1 642 165 61 LYS H H 7.375 0.030 1 643 165 61 LYS HA H 4.092 0.030 1 644 165 61 LYS HB2 H 1.872 0.030 2 645 165 61 LYS HB3 H 1.949 0.030 2 646 165 61 LYS HG2 H 1.527 0.030 2 647 165 61 LYS HG3 H 1.412 0.030 2 648 165 61 LYS HD2 H 1.779 0.030 1 649 165 61 LYS HD3 H 1.779 0.030 1 650 165 61 LYS HE2 H 2.978 0.030 1 651 165 61 LYS HE3 H 2.978 0.030 1 652 165 61 LYS C C 179.281 0.300 1 653 165 61 LYS CA C 59.088 0.300 1 654 165 61 LYS CB C 32.325 0.300 1 655 165 61 LYS CG C 24.507 0.300 1 656 165 61 LYS CD C 28.873 0.300 1 657 165 61 LYS CE C 42.120 0.300 1 658 165 61 LYS N N 119.189 0.300 1 659 166 62 VAL H H 8.285 0.030 1 660 166 62 VAL HA H 3.441 0.030 1 661 166 62 VAL HB H 1.927 0.030 1 662 166 62 VAL HG1 H 0.541 0.030 2 663 166 62 VAL HG2 H 0.597 0.030 2 664 166 62 VAL C C 180.139 0.300 1 665 166 62 VAL CA C 66.485 0.300 1 666 166 62 VAL CB C 31.494 0.300 1 667 166 62 VAL CG1 C 22.403 0.300 2 668 166 62 VAL CG2 C 22.326 0.300 2 669 166 62 VAL N N 115.246 0.300 1 670 167 63 CYS H H 8.180 0.030 1 671 167 63 CYS HA H 4.124 0.030 1 672 167 63 CYS HB2 H 2.940 0.030 2 673 167 63 CYS HB3 H 2.855 0.030 2 674 167 63 CYS C C 175.647 0.300 1 675 167 63 CYS CA C 64.203 0.300 1 676 167 63 CYS CB C 26.828 0.300 1 677 167 63 CYS N N 119.746 0.300 1 678 168 64 GLU H H 8.003 0.030 1 679 168 64 GLU HA H 4.046 0.030 1 680 168 64 GLU HB2 H 2.152 0.030 1 681 168 64 GLU HB3 H 2.152 0.030 1 682 168 64 GLU HG2 H 2.257 0.030 2 683 168 64 GLU HG3 H 2.328 0.030 2 684 168 64 GLU C C 177.069 0.300 1 685 168 64 GLU CA C 58.854 0.300 1 686 168 64 GLU CB C 29.312 0.300 1 687 168 64 GLU CG C 36.083 0.300 1 688 168 64 GLU N N 122.585 0.300 1 689 169 65 ILE H H 7.514 0.030 1 690 169 65 ILE HA H 3.707 0.030 1 691 169 65 ILE HB H 1.500 0.030 1 692 169 65 ILE HG12 H 1.105 0.030 1 693 169 65 ILE HG13 H 1.105 0.030 1 694 169 65 ILE HG2 H 0.529 0.030 1 695 169 65 ILE HD1 H 0.940 0.030 1 696 169 65 ILE C C 178.592 0.300 1 697 169 65 ILE CA C 64.544 0.300 1 698 169 65 ILE CB C 39.062 0.300 1 699 169 65 ILE CG1 C 29.106 0.300 1 700 169 65 ILE CG2 C 16.478 0.300 1 701 169 65 ILE CD1 C 14.800 0.300 1 702 169 65 ILE N N 120.660 0.300 1 703 170 66 HIS H H 7.696 0.030 1 704 170 66 HIS HA H 4.153 0.030 1 705 170 66 HIS HB2 H 3.014 0.030 2 706 170 66 HIS HB3 H 3.745 0.030 2 707 170 66 HIS HD2 H 6.958 0.030 1 708 170 66 HIS CA C 60.027 0.300 1 709 170 66 HIS CB C 28.153 0.300 1 710 170 66 HIS CD2 C 118.471 0.300 1 711 170 66 HIS N N 113.343 0.300 1 712 171 67 PHE HA H 5.479 0.030 1 713 171 67 PHE HB2 H 2.984 0.030 2 714 171 67 PHE HB3 H 2.754 0.030 2 715 171 67 PHE HD1 H 7.117 0.030 1 716 171 67 PHE HD2 H 7.117 0.030 1 717 171 67 PHE C C 174.464 0.300 1 718 171 67 PHE CA C 56.974 0.300 1 719 171 67 PHE CB C 40.905 0.300 1 720 171 67 PHE CD1 C 131.618 0.300 1 721 171 67 PHE CD2 C 131.618 0.300 1 722 172 68 HIS H H 8.899 0.030 1 723 172 68 HIS HA H 4.534 0.030 1 724 172 68 HIS HB2 H 2.667 0.030 2 725 172 68 HIS HB3 H 2.467 0.030 2 726 172 68 HIS HD2 H 6.970 0.030 1 727 172 68 HIS HE1 H 7.240 0.030 1 728 172 68 HIS C C 172.916 0.300 1 729 172 68 HIS CA C 55.205 0.300 1 730 172 68 HIS CB C 34.677 0.300 1 731 172 68 HIS CD2 C 118.290 0.300 1 732 172 68 HIS CE1 C 135.687 0.300 1 733 172 68 HIS N N 122.648 0.300 1 734 173 69 GLU H H 8.649 0.030 1 735 173 69 GLU HA H 3.715 0.030 1 736 173 69 GLU HB2 H 1.917 0.030 2 737 173 69 GLU HB3 H 1.737 0.030 2 738 173 69 GLU C C 174.360 0.300 1 739 173 69 GLU CA C 55.444 0.300 1 740 173 69 GLU CB C 31.118 0.300 1 741 173 69 GLU CG C 36.925 0.300 1 742 173 69 GLU N N 124.809 0.300 1 743 174 70 ILE H H 8.278 0.030 1 744 174 70 ILE HA H 3.913 0.030 1 745 174 70 ILE HB H 1.349 0.030 1 746 174 70 ILE HG12 H 0.680 0.030 2 747 174 70 ILE HG13 H -0.270 0.030 2 748 174 70 ILE HG2 H 0.503 0.030 1 749 174 70 ILE HD1 H 0.298 0.030 1 750 174 70 ILE C C 176.302 0.300 1 751 174 70 ILE CA C 60.909 0.300 1 752 174 70 ILE CB C 39.781 0.300 1 753 174 70 ILE CG1 C 25.429 0.300 1 754 174 70 ILE CG2 C 16.379 0.300 1 755 174 70 ILE CD1 C 14.527 0.300 1 756 174 70 ILE N N 123.620 0.300 1 757 175 71 ASN H H 9.458 0.030 1 758 175 71 ASN HA H 4.224 0.030 1 759 175 71 ASN HB2 H 2.950 0.030 2 760 175 71 ASN HB3 H 2.525 0.030 2 761 175 71 ASN HD21 H 7.224 0.030 2 762 175 71 ASN HD22 H 6.963 0.030 2 763 175 71 ASN C C 174.511 0.300 1 764 175 71 ASN CA C 54.506 0.300 1 765 175 71 ASN CB C 36.880 0.300 1 766 175 71 ASN N N 127.156 0.300 1 767 175 71 ASN ND2 N 112.381 0.300 1 768 176 72 ASN H H 8.933 0.030 1 769 176 72 ASN HA H 4.172 0.030 1 770 176 72 ASN HB2 H 3.009 0.030 2 771 176 72 ASN HB3 H 2.861 0.030 2 772 176 72 ASN HD21 H 7.463 0.030 2 773 176 72 ASN HD22 H 6.800 0.030 2 774 176 72 ASN C C 172.995 0.300 1 775 176 72 ASN CA C 54.917 0.300 1 776 176 72 ASN CB C 37.556 0.300 1 777 176 72 ASN N N 107.992 0.300 1 778 176 72 ASN ND2 N 112.317 0.300 1 779 177 73 LYS H H 7.459 0.030 1 780 177 73 LYS HA H 4.583 0.030 1 781 177 73 LYS HB2 H 1.901 0.030 2 782 177 73 LYS HB3 H 1.622 0.030 2 783 177 73 LYS HG2 H 1.389 0.030 2 784 177 73 LYS HG3 H 1.538 0.030 2 785 177 73 LYS C C 174.082 0.300 1 786 177 73 LYS CA C 54.136 0.300 1 787 177 73 LYS CB C 35.372 0.300 1 788 177 73 LYS CG C 24.476 0.300 1 789 177 73 LYS CD C 29.159 0.300 1 790 177 73 LYS CE C 42.657 0.300 1 791 177 73 LYS N N 120.312 0.300 1 792 178 74 MET H H 8.426 0.030 1 793 178 74 MET HA H 4.853 0.030 1 794 178 74 MET HB2 H 1.864 0.030 2 795 178 74 MET HB3 H 2.002 0.030 2 796 178 74 MET HG2 H 2.535 0.030 2 797 178 74 MET HG3 H 2.488 0.030 2 798 178 74 MET HE H 1.873 0.030 1 799 178 74 MET C C 175.897 0.300 1 800 178 74 MET CA C 54.712 0.300 1 801 178 74 MET CB C 31.385 0.300 1 802 178 74 MET CG C 31.590 0.300 1 803 178 74 MET CE C 16.251 0.300 1 804 178 74 MET N N 123.702 0.300 1 805 179 75 VAL H H 9.442 0.030 1 806 179 75 VAL HA H 4.868 0.030 1 807 179 75 VAL HB H 2.275 0.030 1 808 179 75 VAL HG1 H 0.747 0.030 2 809 179 75 VAL HG2 H 0.698 0.030 2 810 179 75 VAL C C 174.332 0.300 1 811 179 75 VAL CA C 59.895 0.300 1 812 179 75 VAL CB C 32.784 0.300 1 813 179 75 VAL CG1 C 21.297 0.300 2 814 179 75 VAL CG2 C 21.231 0.300 2 815 179 75 VAL N N 124.593 0.300 1 816 180 76 GLU H H 8.663 0.030 1 817 180 76 GLU HA H 4.873 0.030 1 818 180 76 GLU HB2 H 2.027 0.030 2 819 180 76 GLU HB3 H 1.869 0.030 2 820 180 76 GLU HG2 H 2.026 0.030 2 821 180 76 GLU HG3 H 1.878 0.030 2 822 180 76 GLU C C 175.677 0.300 1 823 180 76 GLU CA C 54.835 0.300 1 824 180 76 GLU CB C 32.788 0.300 1 825 180 76 GLU CG C 36.940 0.300 1 826 180 76 GLU N N 122.279 0.300 1 827 181 77 CYS H H 8.859 0.030 1 828 181 77 CYS HA H 5.853 0.030 1 829 181 77 CYS HB2 H 2.620 0.030 2 830 181 77 CYS HB3 H 2.820 0.030 2 831 181 77 CYS C C 173.779 0.300 1 832 181 77 CYS CA C 56.974 0.300 1 833 181 77 CYS CB C 31.021 0.300 1 834 181 77 CYS N N 121.916 0.300 1 835 182 78 LYS H H 8.960 0.030 1 836 182 78 LYS HA H 4.695 0.030 1 837 182 78 LYS HB2 H 1.950 0.030 2 838 182 78 LYS HB3 H 1.687 0.030 2 839 182 78 LYS HG2 H 1.394 0.030 2 840 182 78 LYS HG3 H 1.267 0.030 2 841 182 78 LYS HD2 H 1.502 0.030 1 842 182 78 LYS HD3 H 1.502 0.030 1 843 182 78 LYS HE2 H 2.649 0.030 1 844 182 78 LYS HE3 H 2.649 0.030 1 845 182 78 LYS C C 174.721 0.300 1 846 182 78 LYS CA C 54.876 0.300 1 847 182 78 LYS CB C 36.610 0.300 1 848 182 78 LYS CG C 24.375 0.300 1 849 182 78 LYS CD C 29.359 0.300 1 850 182 78 LYS CE C 41.844 0.300 1 851 182 78 LYS N N 119.847 0.300 1 852 183 79 LYS H H 8.792 0.030 1 853 183 79 LYS HA H 4.045 0.030 1 854 183 79 LYS HB2 H 1.873 0.030 2 855 183 79 LYS HB3 H 1.692 0.030 2 856 183 79 LYS C C 176.658 0.300 1 857 183 79 LYS CA C 58.702 0.300 1 858 183 79 LYS CB C 32.742 0.300 1 859 183 79 LYS CG C 26.795 0.300 1 860 183 79 LYS CD C 29.688 0.300 1 861 183 79 LYS CE C 42.031 0.300 1 862 183 79 LYS N N 122.554 0.300 1 863 184 80 ALA H H 8.047 0.030 1 864 184 80 ALA HA H 4.428 0.030 1 865 184 80 ALA HB H 1.342 0.030 1 866 184 80 ALA C C 176.243 0.300 1 867 184 80 ALA CA C 52.120 0.300 1 868 184 80 ALA CB C 19.503 0.300 1 869 184 80 ALA N N 125.116 0.300 1 870 185 81 GLN H H 8.499 0.030 1 871 185 81 GLN HA H 4.481 0.030 1 872 185 81 GLN HB2 H 1.806 0.030 1 873 185 81 GLN HB3 H 1.806 0.030 1 874 185 81 GLN HG2 H 2.301 0.030 1 875 185 81 GLN HG3 H 2.301 0.030 1 876 185 81 GLN HE21 H 7.479 0.030 2 877 185 81 GLN HE22 H 6.798 0.030 2 878 185 81 GLN C C 174.148 0.300 1 879 185 81 GLN CA C 53.436 0.300 1 880 185 81 GLN CB C 29.081 0.300 1 881 185 81 GLN CG C 33.471 0.300 1 882 185 81 GLN N N 120.804 0.300 1 883 185 81 GLN NE2 N 112.241 0.300 1 884 186 82 PRO HA H 4.235 0.030 1 885 186 82 PRO HB2 H 2.139 0.030 2 886 186 82 PRO HB3 H 1.839 0.030 2 887 186 82 PRO HG2 H 1.923 0.030 2 888 186 82 PRO HG3 H 1.796 0.030 2 889 186 82 PRO HD2 H 3.544 0.030 1 890 186 82 PRO HD3 H 3.544 0.030 1 891 186 82 PRO C C 176.773 0.300 1 892 186 82 PRO CA C 63.470 0.300 1 893 186 82 PRO CB C 32.038 0.300 1 894 186 82 PRO CG C 27.292 0.300 1 895 186 82 PRO CD C 50.464 0.300 1 896 187 83 LYS H H 8.238 0.030 1 897 187 83 LYS HA H 4.152 0.030 1 898 187 83 LYS HB2 H 1.735 0.030 1 899 187 83 LYS HB3 H 1.735 0.030 1 900 187 83 LYS C C 176.668 0.300 1 901 187 83 LYS CA C 56.687 0.300 1 902 187 83 LYS CB C 32.701 0.300 1 903 187 83 LYS CG C 24.723 0.300 1 904 187 83 LYS CD C 29.249 0.300 1 905 187 83 LYS CE C 42.080 0.300 1 906 187 83 LYS N N 120.152 0.300 1 907 188 84 GLU H H 8.296 0.030 1 908 188 84 GLU HA H 4.218 0.030 1 909 188 84 GLU HB2 H 1.931 0.030 1 910 188 84 GLU HB3 H 1.931 0.030 1 911 188 84 GLU HG2 H 2.184 0.030 1 912 188 84 GLU HG3 H 2.184 0.030 1 913 188 84 GLU C C 176.257 0.300 1 914 188 84 GLU CA C 56.645 0.300 1 915 188 84 GLU CB C 30.151 0.300 1 916 188 84 GLU CG C 36.291 0.300 1 917 188 84 GLU N N 121.526 0.300 1 918 189 85 VAL H H 8.036 0.030 1 919 189 85 VAL HA H 4.009 0.030 1 920 189 85 VAL HB H 1.992 0.030 1 921 189 85 VAL HG1 H 0.850 0.030 2 922 189 85 VAL HG2 H 0.822 0.030 2 923 189 85 VAL C C 175.913 0.300 1 924 189 85 VAL CA C 62.282 0.300 1 925 189 85 VAL CB C 32.578 0.300 1 926 189 85 VAL CG1 C 20.583 0.300 2 927 189 85 VAL CG2 C 21.178 0.300 2 928 189 85 VAL N N 120.740 0.300 1 929 190 86 MET H H 8.278 0.030 1 930 190 86 MET HA H 4.462 0.030 1 931 190 86 MET HB2 H 2.007 0.030 1 932 190 86 MET HB3 H 2.007 0.030 1 933 190 86 MET C C 175.806 0.300 1 934 190 86 MET CA C 55.285 0.300 1 935 190 86 MET CB C 32.907 0.300 1 936 190 86 MET CG C 30.110 0.300 1 937 190 86 MET CE C 17.090 0.300 1 938 190 86 MET N N 123.808 0.300 1 939 191 87 SER H H 8.299 0.030 1 940 191 87 SER HA H 4.741 0.030 1 941 191 87 SER HB2 H 3.810 0.030 1 942 191 87 SER HB3 H 3.810 0.030 1 943 191 87 SER CA C 56.316 0.300 1 944 191 87 SER CB C 63.474 0.300 1 945 191 87 SER N N 118.469 0.300 1 946 192 88 PRO HA H 4.472 0.030 1 947 192 88 PRO HB2 H 2.290 0.030 2 948 192 88 PRO HB3 H 1.936 0.030 2 949 192 88 PRO HG2 H 2.005 0.030 1 950 192 88 PRO HG3 H 2.005 0.030 1 951 192 88 PRO HD2 H 3.640 0.030 2 952 192 88 PRO HD3 H 3.807 0.030 2 953 192 88 PRO C C 177.300 0.300 1 954 192 88 PRO CA C 63.557 0.300 1 955 192 88 PRO CB C 32.125 0.300 1 956 192 88 PRO CG C 27.378 0.300 1 957 192 88 PRO CD C 51.080 0.300 1 958 193 89 THR H H 8.143 0.030 1 959 193 89 THR HA H 4.320 0.030 1 960 193 89 THR HB H 4.238 0.030 1 961 193 89 THR HG2 H 1.186 0.030 1 962 193 89 THR C C 176.303 0.300 1 963 193 89 THR CA C 61.952 0.300 1 964 193 89 THR CB C 69.810 0.300 1 965 193 89 THR CG2 C 21.584 0.300 1 966 193 89 THR N N 113.036 0.300 1 967 194 90 GLY H H 8.307 0.030 1 968 194 90 GLY HA2 H 3.972 0.030 1 969 194 90 GLY HA3 H 3.972 0.030 1 970 194 90 GLY C C 174.246 0.300 1 971 194 90 GLY CA C 45.496 0.300 1 972 194 90 GLY N N 111.128 0.300 1 973 195 91 SER H H 8.178 0.030 1 974 195 91 SER HA H 4.424 0.030 1 975 195 91 SER HB2 H 3.831 0.030 1 976 195 91 SER HB3 H 3.831 0.030 1 977 195 91 SER C C 174.356 0.300 1 978 195 91 SER CA C 58.373 0.300 1 979 195 91 SER CB C 64.174 0.300 1 980 195 91 SER N N 115.708 0.300 1 981 196 92 ALA H H 8.343 0.030 1 982 196 92 ALA HA H 4.316 0.030 1 983 196 92 ALA HB H 1.366 0.030 1 984 196 92 ALA C C 177.698 0.300 1 985 196 92 ALA CA C 52.819 0.300 1 986 196 92 ALA CB C 19.125 0.300 1 987 196 92 ALA N N 125.968 0.300 1 988 197 93 ARG H H 8.238 0.030 1 989 197 93 ARG HA H 4.272 0.030 1 990 197 93 ARG HB2 H 1.846 0.030 2 991 197 93 ARG HB3 H 1.743 0.030 2 992 197 93 ARG HG2 H 1.614 0.030 1 993 197 93 ARG HG3 H 1.614 0.030 1 994 197 93 ARG C C 176.849 0.300 1 995 197 93 ARG CA C 56.481 0.300 1 996 197 93 ARG CB C 30.727 0.300 1 997 197 93 ARG CG C 26.930 0.300 1 998 197 93 ARG CD C 43.561 0.300 1 999 197 93 ARG N N 120.189 0.300 1 1000 198 94 GLY H H 8.356 0.030 1 1001 198 94 GLY HA2 H 3.931 0.030 1 1002 198 94 GLY HA3 H 3.931 0.030 1 1003 198 94 GLY C C 173.844 0.300 1 1004 198 94 GLY CA C 45.331 0.300 1 1005 198 94 GLY N N 110.047 0.300 1 1006 199 95 ARG C C 175.583 0.300 1 stop_ save_