data_27207 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Gcn4 tAD 1-134 ; _BMRB_accession_number 27207 _BMRB_flat_file_name bmr27207.str _Entry_type original _Submission_date 2017-08-07 _Accession_date 2017-08-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Gcn4 tAD 1-134' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tuttle Lisa M. . 2 Pacheco Derek . . 3 Warfield Linda . . 4 Klevit Rachel E. . 5 Hahn Steven . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 119 "13C chemical shifts" 376 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-10 update BMRB 'update entry citation' 2018-03-15 original author 'original release' stop_ _Original_release_date 2017-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Gcn4-Mediator Specificity Is Mediated by a Large and Dynamic Fuzzy Protein-Protein Complex. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29562181 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tuttle Lisa M. . 2 Pacheco Derek . . 3 Warfield Linda . . 4 Luo Jie M. . 5 Ranish Jeff . . 6 Hahn Steven M. . 7 Klevit Rachel E. . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_name_full 'Cell reports' _Journal_volume 22 _Journal_issue 12 _Journal_ISSN 2211-1247 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3251 _Page_last 3264 _Year 2018 _Details . loop_ _Keyword Gcn4 Med15 'fuzzy binding' transcription stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gcn4 tAD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Gcn4 tAD' $Gcn4_tAD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Gcn4_tAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Gcn4_tAD _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Transcription Activator' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MSEYQPSLFALNPMGFSPLD GSKSTNENVSASTSTAKPMV GQLIFDKFIKTEEDPIIKQD TPSNLDFDFALPQTATAPDA KTVLPIPELDDAVVESFFSS STDSTPMFEYENLEDNSKEW TSLFDNDIPVTTDD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 GLU 4 4 TYR 5 5 GLN 6 6 PRO 7 7 SER 8 8 LEU 9 9 PHE 10 10 ALA 11 11 LEU 12 12 ASN 13 13 PRO 14 14 MET 15 15 GLY 16 16 PHE 17 17 SER 18 18 PRO 19 19 LEU 20 20 ASP 21 21 GLY 22 22 SER 23 23 LYS 24 24 SER 25 25 THR 26 26 ASN 27 27 GLU 28 28 ASN 29 29 VAL 30 30 SER 31 31 ALA 32 32 SER 33 33 THR 34 34 SER 35 35 THR 36 36 ALA 37 37 LYS 38 38 PRO 39 39 MET 40 40 VAL 41 41 GLY 42 42 GLN 43 43 LEU 44 44 ILE 45 45 PHE 46 46 ASP 47 47 LYS 48 48 PHE 49 49 ILE 50 50 LYS 51 51 THR 52 52 GLU 53 53 GLU 54 54 ASP 55 55 PRO 56 56 ILE 57 57 ILE 58 58 LYS 59 59 GLN 60 60 ASP 61 61 THR 62 62 PRO 63 63 SER 64 64 ASN 65 65 LEU 66 66 ASP 67 67 PHE 68 68 ASP 69 69 PHE 70 70 ALA 71 71 LEU 72 72 PRO 73 73 GLN 74 74 THR 75 75 ALA 76 76 THR 77 77 ALA 78 78 PRO 79 79 ASP 80 80 ALA 81 81 LYS 82 82 THR 83 83 VAL 84 84 LEU 85 85 PRO 86 86 ILE 87 87 PRO 88 88 GLU 89 89 LEU 90 90 ASP 91 91 ASP 92 92 ALA 93 93 VAL 94 94 VAL 95 95 GLU 96 96 SER 97 97 PHE 98 98 PHE 99 99 SER 100 100 SER 101 101 SER 102 102 THR 103 103 ASP 104 104 SER 105 105 THR 106 106 PRO 107 107 MET 108 108 PHE 109 109 GLU 110 110 TYR 111 111 GLU 112 112 ASN 113 113 LEU 114 114 GLU 115 115 ASP 116 116 ASN 117 117 SER 118 118 LYS 119 119 GLU 120 120 TRP 121 121 THR 122 122 SER 123 123 LEU 124 124 PHE 125 125 ASP 126 126 ASN 127 127 ASP 128 128 ILE 129 129 PRO 130 130 VAL 131 131 THR 132 132 THR 133 133 ASP 134 134 ASP 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 $Gcn4_tAD "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Gcn4_tAD 'recombinant technology' . Escherichia coli 'BL21 (DE3) RIL' pDP15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Gcn4_tAD 500 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' PMSF 0.1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $TOPSPIN $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Gcn4 tAD' _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 2 2 SER C C 173.9413 0.0000 1 2 2 2 SER CA C 58.2883 0.0000 1 3 2 2 SER CB C 63.7432 0.0000 1 4 3 3 GLU H H 8.6061 0.0000 1 5 3 3 GLU C C 175.9398 0.0000 1 6 3 3 GLU CA C 56.6360 0.0000 1 7 3 3 GLU CB C 29.8809 0.0000 1 8 3 3 GLU N N 123.3336 0.0000 1 9 4 4 TYR H H 8.2610 0.0000 1 10 4 4 TYR C C 175.1221 0.0000 1 11 4 4 TYR CA C 57.8473 0.0000 1 12 4 4 TYR CB C 38.6442 0.0000 1 13 4 4 TYR N N 122.1066 0.0000 1 14 5 5 GLN H H 8.0462 0.0000 1 15 5 5 GLN CA C 52.8538 0.0000 1 16 5 5 GLN CB C 29.3774 0.0000 1 17 5 5 GLN N N 124.9826 0.0000 1 18 6 6 PRO C C 176.9867 0.0000 1 19 6 6 PRO CA C 63.2148 0.0000 1 20 6 6 PRO CB C 31.7012 0.0000 1 21 7 7 SER H H 8.2810 0.0000 1 22 7 7 SER C C 174.8349 0.0000 1 23 7 7 SER CA C 58.4075 0.0000 1 24 7 7 SER CB C 63.7408 0.0000 1 25 7 7 SER N N 115.3215 0.0000 1 26 8 8 LEU H H 8.1014 0.0000 1 27 8 8 LEU C C 177.1676 0.0000 1 28 8 8 LEU CA C 55.6505 0.0000 1 29 8 8 LEU CB C 42.0470 0.0000 1 30 8 8 LEU N N 123.9619 0.0000 1 31 9 9 PHE H H 7.9371 0.0000 1 32 9 9 PHE C C 175.3200 0.0000 1 33 9 9 PHE CA C 57.5292 0.0000 1 34 9 9 PHE CB C 39.5499 0.0000 1 35 9 9 PHE N N 119.8032 0.0000 1 36 10 10 ALA H H 7.9257 0.0000 1 37 10 10 ALA C C 177.2099 0.0000 1 38 10 10 ALA CA C 52.3933 0.0000 1 39 10 10 ALA CB C 18.8151 0.0000 1 40 10 10 ALA N N 124.4791 0.0000 1 41 11 11 LEU H H 7.9789 0.0000 1 42 11 11 LEU C C 176.7546 0.0000 1 43 11 11 LEU CA C 54.9161 0.0000 1 44 11 11 LEU CB C 42.2278 0.0000 1 45 11 11 LEU N N 120.8993 0.0000 1 46 12 12 ASN H H 8.2616 0.0000 1 47 12 12 ASN CA C 50.9705 0.0000 1 48 12 12 ASN CB C 38.8467 0.0000 1 49 12 12 ASN N N 119.7344 0.0000 1 50 13 13 PRO C C 177.1417 0.0000 1 51 13 13 PRO CA C 63.8083 0.0000 1 52 13 13 PRO CB C 32.2501 0.0000 1 53 14 14 MET H H 8.2745 0.0000 1 54 14 14 MET C C 176.7442 0.0000 1 55 14 14 MET CA C 55.6038 0.0000 1 56 14 14 MET CB C 32.2501 0.0000 1 57 14 14 MET N N 118.6957 0.0000 1 58 15 15 GLY H H 8.1278 0.0000 1 59 15 15 GLY C C 173.4740 0.0000 1 60 15 15 GLY CA C 45.2424 0.0000 1 61 15 15 GLY N N 109.2573 0.0000 1 62 16 16 PHE H H 7.9369 0.0000 1 63 16 16 PHE C C 175.2951 0.0000 1 64 16 16 PHE CA C 57.6908 0.0000 1 65 16 16 PHE CB C 39.5779 0.0000 1 66 16 16 PHE N N 119.8003 0.0000 1 67 17 17 SER H H 8.2713 0.0000 1 68 17 17 SER CA C 55.6151 0.0000 1 69 17 17 SER CB C 63.7213 0.0000 1 70 17 17 SER N N 119.8656 0.0000 1 71 19 19 LEU C C 176.9045 0.0000 1 72 19 19 LEU CA C 55.2178 0.0000 1 73 19 19 LEU CB C 42.5428 0.0000 1 74 20 20 ASP H H 8.0912 0.0000 1 75 20 20 ASP C C 176.9378 0.0000 1 76 20 20 ASP CA C 54.1033 0.0000 1 77 20 20 ASP CB C 40.8651 0.0000 1 78 20 20 ASP N N 120.5359 0.0000 1 79 21 21 GLY H H 8.3252 0.0000 1 80 21 21 GLY C C 174.2871 0.0000 1 81 21 21 GLY CA C 45.6132 0.0000 1 82 21 21 GLY N N 109.8439 0.0000 1 83 22 22 SER H H 8.2335 0.0000 1 84 22 22 SER C C 174.6139 0.0000 1 85 22 22 SER CA C 58.9072 0.0000 1 86 22 22 SER CB C 63.8201 0.0000 1 87 22 22 SER N N 116.1222 0.0000 1 88 23 23 LYS H H 8.2327 0.0000 1 89 23 23 LYS C C 176.6565 0.0000 1 90 23 23 LYS CA C 55.9237 0.0000 1 91 23 23 LYS CB C 33.2588 0.0000 1 92 23 23 LYS N N 122.5379 0.0000 1 93 24 24 SER H H 8.3331 0.0000 1 94 24 24 SER C C 174.8586 0.0000 1 95 24 24 SER CA C 58.3724 0.0000 1 96 24 24 SER CB C 64.0989 0.0000 1 97 24 24 SER N N 117.1639 0.0000 1 98 25 25 THR H H 8.1936 0.0000 1 99 25 25 THR C C 174.3126 0.0000 1 100 25 25 THR CA C 61.6476 0.0000 1 101 25 25 THR CB C 69.9052 0.0000 1 102 25 25 THR N N 115.3982 0.0000 1 103 26 26 ASN H H 8.3887 0.0000 1 104 26 26 ASN C C 175.1569 0.0000 1 105 26 26 ASN CA C 53.5258 0.0000 1 106 26 26 ASN CB C 38.8519 0.0000 1 107 26 26 ASN N N 120.5969 0.0000 1 108 27 27 GLU H H 8.3992 0.0000 1 109 27 27 GLU C C 176.1528 0.0000 1 110 27 27 GLU CA C 56.8385 0.0000 1 111 27 27 GLU CB C 30.0473 0.0000 1 112 27 27 GLU N N 121.3148 0.0000 1 113 28 28 ASN H H 8.4603 0.0000 1 114 28 28 ASN C C 175.2723 0.0000 1 115 28 28 ASN CA C 53.4055 0.0000 1 116 28 28 ASN CB C 38.8145 0.0000 1 117 28 28 ASN N N 119.8887 0.0000 1 118 29 29 VAL H H 8.0383 0.0000 1 119 29 29 VAL C C 176.2378 0.0000 1 120 29 29 VAL CA C 62.6070 0.0000 1 121 29 29 VAL CB C 32.4345 0.0000 1 122 29 29 VAL N N 120.4681 0.0000 1 123 30 30 SER H H 8.3632 0.0000 1 124 30 30 SER CA C 58.4435 0.0000 1 125 30 30 SER CB C 64.0489 0.0000 1 126 30 30 SER N N 119.3858 0.0000 1 127 31 31 ALA H H 8.3375 0.0000 1 128 31 31 ALA C C 177.9145 0.0000 1 129 31 31 ALA CA C 52.5405 0.0000 1 130 31 31 ALA CB C 18.6270 0.0000 1 131 31 31 ALA N N 126.4891 0.0000 1 132 32 32 SER H H 8.2936 0.0000 1 133 32 32 SER C C 175.0102 0.0000 1 134 32 32 SER CA C 58.5109 0.0000 1 135 32 32 SER CB C 63.9956 0.0000 1 136 32 32 SER N N 115.1442 0.0000 1 137 33 33 THR H H 8.1258 0.0000 1 138 33 33 THR C C 174.6516 0.0000 1 139 33 33 THR CA C 62.2549 0.0000 1 140 33 33 THR CB C 69.9230 0.0000 1 141 33 33 THR N N 115.4186 0.0000 1 142 34 34 SER H H 8.3115 0.0000 1 143 34 34 SER C C 174.7019 0.0000 1 144 34 34 SER CA C 58.2702 0.0000 1 145 34 34 SER CB C 63.6585 0.0000 1 146 34 34 SER N N 117.9787 0.0000 1 147 35 35 THR H H 8.1309 0.0000 1 148 35 35 THR C C 174.1257 0.0000 1 149 35 35 THR CA C 61.8404 0.0000 1 150 35 35 THR CB C 69.9230 0.0000 1 151 35 35 THR N N 116.2839 0.0000 1 152 36 36 ALA H H 8.1846 0.0000 1 153 36 36 ALA C C 177.2421 0.0000 1 154 36 36 ALA CA C 52.2065 0.0000 1 155 36 36 ALA CB C 18.8388 0.0000 1 156 36 36 ALA N N 126.9476 0.0000 1 157 37 37 LYS H H 8.2487 0.0000 1 158 37 37 LYS CA C 54.4153 0.0000 1 159 37 37 LYS CB C 32.6546 0.0000 1 160 37 37 LYS N N 122.4689 0.0000 1 161 38 38 PRO C C 176.7529 0.0000 1 162 38 38 PRO CA C 63.2896 0.0000 1 163 39 39 MET H H 8.4385 0.0000 1 164 39 39 MET C C 176.7058 0.0000 1 165 39 39 MET CA C 55.4876 0.0000 1 166 39 39 MET CB C 33.1380 0.0000 1 167 39 39 MET N N 121.3392 0.0000 1 168 40 40 VAL H H 8.1021 0.0000 1 169 40 40 VAL C C 176.5294 0.0000 1 170 40 40 VAL CA C 62.2680 0.0000 1 171 40 40 VAL CB C 32.6014 0.0000 1 172 40 40 VAL N N 121.6598 0.0000 1 173 41 41 GLY H H 8.4951 0.0000 1 174 41 41 GLY C C 173.8128 0.0000 1 175 41 41 GLY CA C 45.2029 0.0000 1 176 41 41 GLY N N 112.6878 0.0000 1 177 42 42 GLN H H 8.1336 0.0000 1 178 42 42 GLN C C 175.6246 0.0000 1 179 42 42 GLN CA C 55.7090 0.0000 1 180 42 42 GLN CB C 29.4200 0.0000 1 181 42 42 GLN N N 119.9375 0.0000 1 182 43 43 LEU H H 8.2521 0.0000 1 183 43 43 LEU C C 176.7108 0.0000 1 184 43 43 LEU CA C 55.2887 0.0000 1 185 43 43 LEU CB C 42.1483 0.0000 1 186 43 43 LEU N N 123.6460 0.0000 1 187 44 44 ILE H H 7.9499 0.0000 1 188 44 44 ILE C C 175.7144 0.0000 1 189 44 44 ILE CA C 60.6982 0.0000 1 190 44 44 ILE CB C 38.5124 0.0000 1 191 44 44 ILE N N 121.6850 0.0000 1 192 45 45 PHE H H 8.2484 0.0000 1 193 45 45 PHE C C 175.2801 0.0000 1 194 45 45 PHE CA C 57.4913 0.0000 1 195 45 45 PHE CB C 39.4541 0.0000 1 196 45 45 PHE N N 124.4918 0.0000 1 197 46 46 ASP H H 8.2290 0.0000 1 198 46 46 ASP C C 175.8978 0.0000 1 199 46 46 ASP CA C 54.1764 0.0000 1 200 46 46 ASP CB C 41.2184 0.0000 1 201 46 46 ASP N N 122.1429 0.0000 1 202 47 47 LYS H H 7.9905 0.0000 1 203 47 47 LYS C C 175.9391 0.0000 1 204 47 47 LYS CA C 56.1977 0.0000 1 205 47 47 LYS CB C 32.8847 0.0000 1 206 47 47 LYS N N 120.9961 0.0000 1 207 48 48 PHE H H 8.2171 0.0000 1 208 48 48 PHE C C 175.3349 0.0000 1 209 48 48 PHE CA C 57.4502 0.0000 1 210 48 48 PHE CB C 39.5605 0.0000 1 211 48 48 PHE N N 120.8201 0.0000 1 212 49 49 ILE H H 7.9051 0.0000 1 213 49 49 ILE C C 176.0072 0.0000 1 214 49 49 ILE CA C 60.8268 0.0000 1 215 49 49 ILE CB C 38.9957 0.0000 1 216 49 49 ILE N N 123.3198 0.0000 1 217 50 50 LYS H H 8.3387 0.0000 1 218 50 50 LYS C C 176.4732 0.0000 1 219 50 50 LYS CA C 56.2711 0.0000 1 220 50 50 LYS CB C 33.1341 0.0000 1 221 50 50 LYS N N 126.4958 0.0000 1 222 51 51 THR H H 8.2851 0.0000 1 223 51 51 THR C C 174.4580 0.0000 1 224 51 51 THR CA C 61.8609 0.0000 1 225 51 51 THR CB C 70.0085 0.0000 1 226 51 51 THR N N 117.0822 0.0000 1 227 52 52 GLU H H 8.4407 0.0000 1 228 52 52 GLU C C 176.0876 0.0000 1 229 52 52 GLU CA C 56.2680 0.0000 1 230 52 52 GLU CB C 30.0043 0.0000 1 231 52 52 GLU N N 122.9052 0.0000 1 232 53 53 GLU H H 8.3684 0.0000 1 233 53 53 GLU C C 175.8579 0.0000 1 234 53 53 GLU CA C 56.6307 0.0000 1 235 53 53 GLU CB C 29.9597 0.0000 1 236 53 53 GLU N N 122.0137 0.0000 1 237 54 54 ASP H H 8.3930 0.0000 1 238 54 54 ASP CA C 52.5144 0.0000 1 239 54 54 ASP CB C 40.9087 0.0000 1 240 54 54 ASP N N 123.8776 0.0000 1 241 55 55 PRO C C 176.7613 0.0000 1 242 56 56 ILE H H 8.2255 0.0000 1 243 56 56 ILE C C 176.3768 0.0000 1 244 56 56 ILE CA C 63.5901 0.0000 1 245 56 56 ILE CB C 38.0989 0.0000 1 246 56 56 ILE N N 121.1358 0.0000 1 247 57 57 ILE H H 8.1060 0.0000 1 248 57 57 ILE C C 176.0072 0.0000 1 249 57 57 ILE CA C 61.1375 0.0000 1 250 57 57 ILE CB C 38.3097 0.0000 1 251 57 57 ILE N N 125.2718 0.0000 1 252 58 58 LYS H H 8.3387 0.0000 1 253 58 58 LYS C C 176.2049 0.0000 1 254 58 58 LYS CA C 55.7166 0.0000 1 255 58 58 LYS CB C 33.1341 0.0000 1 256 58 58 LYS N N 126.6265 0.0000 1 257 59 59 GLN H H 8.4407 0.0000 1 258 59 59 GLN C C 175.4908 0.0000 1 259 59 59 GLN CA C 56.2680 0.0000 1 260 59 59 GLN CB C 30.0043 0.0000 1 261 59 59 GLN N N 122.5620 0.0000 1 262 60 60 ASP H H 8.4664 0.0000 1 263 60 60 ASP C C 175.9410 0.0000 1 264 60 60 ASP CA C 54.3613 0.0000 1 265 60 60 ASP CB C 41.2132 0.0000 1 266 60 60 ASP N N 122.4886 0.0000 1 267 61 61 THR H H 8.1273 0.0000 1 268 61 61 THR CA C 59.9349 0.0000 1 269 61 61 THR CB C 70.2971 0.0000 1 270 61 61 THR N N 116.8574 0.0000 1 271 62 62 PRO C C 176.9428 0.0000 1 272 62 62 PRO CA C 64.0229 0.0000 1 273 62 62 PRO CB C 31.7314 0.0000 1 274 63 63 SER H H 8.4432 0.0000 1 275 63 63 SER C C 174.3126 0.0000 1 276 63 63 SER CA C 58.1688 0.0000 1 277 63 63 SER CB C 63.0869 0.0000 1 278 63 63 SER N N 116.5182 0.0000 1 279 64 64 ASN H H 8.3722 0.0000 1 280 64 64 ASN C C 175.0234 0.0000 1 281 64 64 ASN CA C 53.2447 0.0000 1 282 64 64 ASN CB C 38.6106 0.0000 1 283 64 64 ASN N N 120.5852 0.0000 1 284 65 65 LEU H H 8.1159 0.0000 1 285 65 65 LEU C C 177.3930 0.0000 1 286 65 65 LEU CA C 55.0857 0.0000 1 287 65 65 LEU CB C 42.1434 0.0000 1 288 65 65 LEU N N 122.3634 0.0000 1 289 66 66 ASP H H 8.0895 0.0000 1 290 66 66 ASP C C 175.8452 0.0000 1 291 66 66 ASP CA C 53.7639 0.0000 1 292 66 66 ASP CB C 40.8596 0.0000 1 293 66 66 ASP N N 120.6975 0.0000 1 294 67 67 PHE H H 7.9319 0.0000 1 295 67 67 PHE C C 175.0789 0.0000 1 296 67 67 PHE CA C 57.7357 0.0000 1 297 67 67 PHE CB C 39.5499 0.0000 1 298 67 67 PHE N N 120.2657 0.0000 1 299 68 68 ASP H H 8.1455 0.0000 1 300 68 68 ASP C C 175.7433 0.0000 1 301 68 68 ASP CA C 54.1033 0.0000 1 302 68 68 ASP CB C 40.8651 0.0000 1 303 68 68 ASP N N 121.8141 0.0000 1 304 69 69 PHE H H 7.8889 0.0000 1 305 69 69 PHE C C 175.1221 0.0000 1 306 69 69 PHE CA C 57.8762 0.0000 1 307 69 69 PHE CB C 39.1733 0.0000 1 308 69 69 PHE N N 120.9674 0.0000 1 309 70 70 ALA H H 8.0477 0.0000 1 310 70 70 ALA C C 177.0315 0.0000 1 311 70 70 ALA CA C 52.1876 0.0000 1 312 70 70 ALA CB C 18.8468 0.0000 1 313 70 70 ALA N N 125.2192 0.0000 1 314 71 71 LEU H H 7.9984 0.0000 1 315 71 71 LEU CA C 53.2667 0.0000 1 316 71 71 LEU CB C 41.4136 0.0000 1 317 71 71 LEU N N 122.9012 0.0000 1 318 72 72 PRO C C 177.0164 0.0000 1 319 72 72 PRO CA C 63.0942 0.0000 1 320 72 72 PRO CB C 31.6270 0.0000 1 321 73 73 GLN H H 8.5188 0.0000 1 322 73 73 GLN C C 176.2598 0.0000 1 323 73 73 GLN CA C 55.7751 0.0000 1 324 73 73 GLN CB C 29.1393 0.0000 1 325 73 73 GLN N N 121.0112 0.0000 1 326 74 74 THR H H 8.1086 0.0000 1 327 74 74 THR C C 174.3412 0.0000 1 328 74 74 THR CA C 61.8463 0.0000 1 329 74 74 THR CB C 69.7344 0.0000 1 330 74 74 THR N N 115.5033 0.0000 1 331 75 75 ALA H H 8.3387 0.0000 1 332 75 75 ALA C C 177.6592 0.0000 1 333 75 75 ALA CA C 52.4799 0.0000 1 334 75 75 ALA CB C 18.9209 0.0000 1 335 75 75 ALA N N 126.8617 0.0000 1 336 76 76 THR H H 8.0956 0.0000 1 337 76 76 THR C C 174.4358 0.0000 1 338 76 76 THR CA C 61.5404 0.0000 1 339 76 76 THR CB C 69.8379 0.0000 1 340 76 76 THR N N 114.1578 0.0000 1 341 77 77 ALA H H 8.3196 0.0000 1 342 77 77 ALA CA C 50.3205 0.0000 1 343 77 77 ALA CB C 17.9621 0.0000 1 344 77 77 ALA N N 128.3756 0.0000 1 345 78 78 PRO C C 176.6489 0.0000 1 346 78 78 PRO CA C 63.2794 0.0000 1 347 78 78 PRO CB C 32.2007 0.0000 1 348 79 79 ASP H H 8.3159 0.0000 1 349 79 79 ASP C C 176.2303 0.0000 1 350 79 79 ASP CA C 54.0345 0.0000 1 351 79 79 ASP CB C 40.9316 0.0000 1 352 79 79 ASP N N 119.8869 0.0000 1 353 80 80 ALA H H 8.1372 0.0000 1 354 80 80 ALA C C 177.7767 0.0000 1 355 80 80 ALA CA C 52.6895 0.0000 1 356 80 80 ALA CB C 18.7663 0.0000 1 357 80 80 ALA N N 124.8779 0.0000 1 358 81 81 LYS H H 8.2800 0.0000 1 359 81 81 LYS C C 176.7719 0.0000 1 360 81 81 LYS CA C 56.3019 0.0000 1 361 81 81 LYS CB C 32.5751 0.0000 1 362 81 81 LYS N N 120.0971 0.0000 1 363 82 82 THR H H 8.0881 0.0000 1 364 82 82 THR C C 174.1192 0.0000 1 365 82 82 THR CA C 62.2111 0.0000 1 366 82 82 THR CB C 69.6665 0.0000 1 367 82 82 THR N N 116.2839 0.0000 1 368 83 83 VAL H H 8.1351 0.0000 1 369 83 83 VAL C C 175.5618 0.0000 1 370 83 83 VAL CA C 61.9130 0.0000 1 371 83 83 VAL CB C 32.3169 0.0000 1 372 83 83 VAL N N 124.0062 0.0000 1 373 84 84 LEU H H 8.2730 0.0000 1 374 84 84 LEU CA C 52.3908 0.0000 1 375 84 84 LEU CB C 41.6110 0.0000 1 376 84 84 LEU N N 128.2046 0.0000 1 377 85 85 PRO C C 176.4168 0.0000 1 378 85 85 PRO CA C 62.6327 0.0000 1 379 85 85 PRO CB C 31.4860 0.0000 1 380 86 86 ILE H H 8.1534 0.0000 1 381 86 86 ILE CA C 58.3725 0.0000 1 382 86 86 ILE CB C 38.4691 0.0000 1 383 86 86 ILE N N 122.9081 0.0000 1 384 87 87 PRO C C 176.8557 0.0000 1 385 87 87 PRO CA C 63.1740 0.0000 1 386 87 87 PRO CB C 32.2020 0.0000 1 387 88 88 GLU H H 8.4470 0.0000 1 388 88 88 GLU C C 176.4697 0.0000 1 389 88 88 GLU CA C 56.4484 0.0000 1 390 88 88 GLU CB C 29.6877 0.0000 1 391 88 88 GLU N N 121.1736 0.0000 1 392 89 89 LEU H H 8.1997 0.0000 1 393 89 89 LEU C C 177.0158 0.0000 1 394 89 89 LEU CA C 55.0684 0.0000 1 395 89 89 LEU CB C 42.4468 0.0000 1 396 89 89 LEU N N 123.3618 0.0000 1 397 90 90 ASP H H 8.2931 0.0000 1 398 90 90 ASP C C 176.0436 0.0000 1 399 90 90 ASP CA C 54.4212 0.0000 1 400 90 90 ASP CB C 41.2439 0.0000 1 401 90 90 ASP N N 121.8085 0.0000 1 402 91 91 ASP H H 8.2121 0.0000 1 403 91 91 ASP C C 176.0318 0.0000 1 404 91 91 ASP CA C 54.3653 0.0000 1 405 91 91 ASP CB C 41.9214 0.0000 1 406 91 91 ASP N N 121.3622 0.0000 1 407 92 92 ALA H H 8.1054 0.0000 1 408 92 92 ALA C C 177.8691 0.0000 1 409 92 92 ALA CA C 52.6708 0.0000 1 410 92 92 ALA CB C 18.7479 0.0000 1 411 92 92 ALA N N 123.7538 0.0000 1 412 93 93 VAL H H 8.0262 0.0000 1 413 93 93 VAL C C 176.2303 0.0000 1 414 93 93 VAL CA C 62.4881 0.0000 1 415 93 93 VAL CB C 32.1694 0.0000 1 416 93 93 VAL N N 120.2144 0.0000 1 417 94 94 VAL H H 8.1445 0.0000 1 418 94 94 VAL C C 176.2061 0.0000 1 419 94 94 VAL CA C 62.3976 0.0000 1 420 94 94 VAL CB C 32.3169 0.0000 1 421 94 94 VAL N N 124.7817 0.0000 1 422 95 95 GLU H H 8.4415 0.0000 1 423 95 95 GLU C C 176.3453 0.0000 1 424 95 95 GLU CA C 56.6806 0.0000 1 425 95 95 GLU CB C 29.8356 0.0000 1 426 95 95 GLU N N 125.1276 0.0000 1 427 96 96 SER H H 8.2073 0.0000 1 428 96 96 SER C C 174.0641 0.0000 1 429 96 96 SER CA C 58.1921 0.0000 1 430 96 96 SER CB C 63.8532 0.0000 1 431 96 96 SER N N 116.7054 0.0000 1 432 97 97 PHE H H 8.1423 0.0000 1 433 97 97 PHE C C 175.3285 0.0000 1 434 97 97 PHE CA C 57.9292 0.0000 1 435 97 97 PHE CB C 38.8435 0.0000 1 436 97 97 PHE N N 122.3139 0.0000 1 437 98 98 PHE H H 8.0921 0.0000 1 438 98 98 PHE C C 175.4401 0.0000 1 439 98 98 PHE CA C 57.6851 0.0000 1 440 98 98 PHE CB C 39.4770 0.0000 1 441 98 98 PHE N N 121.4525 0.0000 1 442 99 99 SER H H 8.1343 0.0000 1 443 99 99 SER C C 174.5894 0.0000 1 444 99 99 SER CA C 57.9441 0.0000 1 445 99 99 SER CB C 63.8939 0.0000 1 446 99 99 SER N N 117.7740 0.0000 1 447 100 100 SER H H 8.3604 0.0000 1 448 100 100 SER C C 174.2747 0.0000 1 449 100 100 SER CA C 58.1983 0.0000 1 450 100 100 SER CB C 63.7789 0.0000 1 451 100 100 SER N N 118.1101 0.0000 1 452 101 101 SER H H 8.3056 0.0000 1 453 101 101 SER C C 174.8586 0.0000 1 454 101 101 SER CA C 58.0506 0.0000 1 455 101 101 SER CB C 63.8807 0.0000 1 456 101 101 SER N N 118.2534 0.0000 1 457 102 102 THR H H 8.1984 0.0000 1 458 102 102 THR C C 174.3324 0.0000 1 459 102 102 THR CA C 62.0476 0.0000 1 460 102 102 THR CB C 70.3688 0.0000 1 461 102 102 THR N N 115.5589 0.0000 1 462 103 103 ASP H H 8.2734 0.0000 1 463 103 103 ASP C C 176.0678 0.0000 1 464 103 103 ASP CA C 54.1937 0.0000 1 465 103 103 ASP CB C 41.7590 0.0000 1 466 103 103 ASP N N 122.7770 0.0000 1 467 104 104 SER H H 8.2074 0.0000 1 468 104 104 SER C C 174.2835 0.0000 1 469 104 104 SER CA C 58.2081 0.0000 1 470 104 104 SER CB C 63.8532 0.0000 1 471 104 104 SER N N 116.4235 0.0000 1 472 105 105 THR H H 8.1824 0.0000 1 473 105 105 THR CA C 60.2444 0.0000 1 474 105 105 THR CB C 69.6698 0.0000 1 475 105 105 THR N N 119.1726 0.0000 1 476 106 106 PRO C C 176.5372 0.0000 1 477 106 106 PRO CA C 63.1352 0.0000 1 478 106 106 PRO CB C 31.9521 0.0000 1 479 107 107 MET H H 8.3111 0.0000 1 480 107 107 MET C C 175.7771 0.0000 1 481 107 107 MET CA C 55.3361 0.0000 1 482 107 107 MET CB C 32.5777 0.0000 1 483 107 107 MET N N 120.8520 0.0000 1 484 108 108 PHE H H 8.0893 0.0000 1 485 108 108 PHE C C 175.3143 0.0000 1 486 108 108 PHE CA C 57.6304 0.0000 1 487 108 108 PHE CB C 39.4770 0.0000 1 488 108 108 PHE N N 121.1557 0.0000 1 489 109 109 GLU H H 8.2571 0.0000 1 490 109 109 GLU C C 175.6923 0.0000 1 491 109 109 GLU CA C 56.1590 0.0000 1 492 109 109 GLU CB C 30.1003 0.0000 1 493 109 109 GLU N N 122.5407 0.0000 1 494 110 110 TYR H H 7.9968 0.0000 1 495 110 110 TYR C C 175.5761 0.0000 1 496 110 110 TYR CA C 57.7843 0.0000 1 497 110 110 TYR CB C 38.6832 0.0000 1 498 110 110 TYR N N 120.8860 0.0000 1 499 111 111 GLU H H 8.2555 0.0000 1 500 111 111 GLU C C 175.6195 0.0000 1 501 111 111 GLU CA C 56.4110 0.0000 1 502 111 111 GLU CB C 30.1003 0.0000 1 503 111 111 GLU N N 122.4160 0.0000 1 504 112 112 ASN H H 8.3759 0.0000 1 505 112 112 ASN C C 175.0403 0.0000 1 506 112 112 ASN CA C 53.1769 0.0000 1 507 112 112 ASN CB C 38.6106 0.0000 1 508 112 112 ASN N N 120.0995 0.0000 1 509 113 113 LEU H H 8.2488 0.0000 1 510 113 113 LEU C C 177.5221 0.0000 1 511 113 113 LEU CA C 55.2887 0.0000 1 512 113 113 LEU CB C 42.1483 0.0000 1 513 113 113 LEU N N 123.6460 0.0000 1 514 114 114 GLU H H 8.3264 0.0000 1 515 114 114 GLU C C 176.1327 0.0000 1 516 114 114 GLU CA C 56.6682 0.0000 1 517 114 114 GLU CB C 29.9700 0.0000 1 518 114 114 GLU N N 121.2175 0.0000 1 519 115 115 ASP H H 8.2213 0.0000 1 520 115 115 ASP C C 176.2188 0.0000 1 521 115 115 ASP CA C 54.3653 0.0000 1 522 115 115 ASP CB C 40.9854 0.0000 1 523 115 115 ASP N N 121.3622 0.0000 1 524 116 116 ASN H H 8.3737 0.0000 1 525 116 116 ASN C C 175.6694 0.0000 1 526 116 116 ASN CA C 53.2117 0.0000 1 527 116 116 ASN CB C 38.6106 0.0000 1 528 116 116 ASN N N 120.3942 0.0000 1 529 117 117 SER H H 8.2915 0.0000 1 530 117 117 SER C C 174.8570 0.0000 1 531 117 117 SER CA C 59.3571 0.0000 1 532 117 117 SER CB C 63.6489 0.0000 1 533 117 117 SER N N 116.3775 0.0000 1 534 118 118 LYS H H 8.1133 0.0000 1 535 118 118 LYS C C 176.9656 0.0000 1 536 118 118 LYS CA C 56.4682 0.0000 1 537 118 118 LYS CB C 32.3982 0.0000 1 538 118 118 LYS N N 122.7052 0.0000 1 539 119 119 GLU H H 8.2049 0.0000 1 540 119 119 GLU C C 176.4537 0.0000 1 541 119 119 GLU CA C 57.6672 0.0000 1 542 119 119 GLU CB C 29.6791 0.0000 1 543 119 119 GLU N N 121.0923 0.0000 1 544 120 120 TRP H H 8.1073 0.0000 1 545 120 120 TRP C C 176.4578 0.0000 1 546 120 120 TRP CA C 57.8329 0.0000 1 547 120 120 TRP CB C 29.1027 0.0000 1 548 120 120 TRP N N 122.2582 0.0000 1 549 121 121 THR H H 7.8155 0.0000 1 550 121 121 THR C C 174.2458 0.0000 1 551 121 121 THR CA C 61.9833 0.0000 1 552 121 121 THR CB C 69.7744 0.0000 1 553 121 121 THR N N 115.4503 0.0000 1 554 122 122 SER H H 8.0833 0.0000 1 555 122 122 SER C C 174.4233 0.0000 1 556 122 122 SER CA C 58.3526 0.0000 1 557 122 122 SER CB C 63.8818 0.0000 1 558 122 122 SER N N 117.8078 0.0000 1 559 123 123 LEU H H 8.0124 0.0000 1 560 123 123 LEU C C 177.0147 0.0000 1 561 123 123 LEU CA C 55.4465 0.0000 1 562 123 123 LEU CB C 42.1314 0.0000 1 563 123 123 LEU N N 123.7729 0.0000 1 564 124 124 PHE H H 7.9763 0.0000 1 565 124 124 PHE C C 175.5229 0.0000 1 566 124 124 PHE CA C 57.3489 0.0000 1 567 124 124 PHE CB C 39.1541 0.0000 1 568 124 124 PHE N N 119.4242 0.0000 1 569 125 125 ASP H H 8.1413 0.0000 1 570 125 125 ASP C C 175.7785 0.0000 1 571 125 125 ASP CA C 54.3164 0.0000 1 572 125 125 ASP CB C 40.8651 0.0000 1 573 125 125 ASP N N 121.6538 0.0000 1 574 126 126 ASN H H 8.2312 0.0000 1 575 126 126 ASN C C 174.7298 0.0000 1 576 126 126 ASN CA C 53.3068 0.0000 1 577 126 126 ASN CB C 39.0339 0.0000 1 578 126 126 ASN N N 119.0227 0.0000 1 579 127 127 ASP H H 8.3106 0.0000 1 580 127 127 ASP C C 175.6606 0.0000 1 581 127 127 ASP CA C 54.3544 0.0000 1 582 127 127 ASP CB C 41.0162 0.0000 1 583 127 127 ASP N N 120.6463 0.0000 1 584 128 128 ILE H H 7.9290 0.0000 1 585 128 128 ILE CA C 58.5965 0.0000 1 586 128 128 ILE CB C 38.4054 0.0000 1 587 128 128 ILE N N 122.7777 0.0000 1 588 129 129 PRO C C 176.7288 0.0000 1 589 129 129 PRO CA C 63.0687 0.0000 1 590 129 129 PRO CB C 32.1901 0.0000 1 591 130 130 VAL H H 8.2617 0.0000 1 592 130 130 VAL C C 176.5327 0.0000 1 593 130 130 VAL CA C 62.3139 0.0000 1 594 130 130 VAL CB C 32.3740 0.0000 1 595 130 130 VAL N N 121.3117 0.0000 1 596 131 131 THR H H 8.2797 0.0000 1 597 131 131 THR C C 174.6297 0.0000 1 598 131 131 THR CA C 61.2222 0.0000 1 599 131 131 THR CB C 69.9768 0.0000 1 600 131 131 THR N N 118.5580 0.0000 1 601 132 132 THR H H 8.2209 0.0000 1 602 132 132 THR C C 174.0926 0.0000 1 603 132 132 THR CA C 61.2257 0.0000 1 604 132 132 THR CB C 69.8726 0.0000 1 605 132 132 THR N N 115.9327 0.0000 1 606 133 133 ASP H H 8.3490 0.0000 1 607 133 133 ASP C C 174.9991 0.0000 1 608 133 133 ASP CA C 54.3816 0.0000 1 609 133 133 ASP CB C 41.0248 0.0000 1 610 133 133 ASP N N 123.3199 0.0000 1 611 134 134 ASP H H 7.9014 0.0000 1 612 134 134 ASP CA C 55.8292 0.0000 1 613 134 134 ASP CB C 41.9295 0.0000 1 614 134 134 ASP N N 126.2161 0.0000 1 stop_ save_