data_36309 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Taf14ET-Sth1EBMC ; _BMRB_accession_number 36309 _BMRB_flat_file_name bmr36309.str _Entry_type original _Submission_date 2020-01-15 _Accession_date 2020-08-24 _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 Wu B. . . 2 Chen G. . . 3 Chen Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 731 "13C chemical shifts" 530 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-31 original BMRB . stop_ _Original_release_date 2020-08-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Taf14 recognizes a common motif in transcriptional machineries and facilitates their clustering by phase separation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32826896 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Guochao . . 2 Wang Duo . . 3 Wu Bin . . 4 Yan Fuxiang . . 5 Xue Hongjuan . . 6 Wang Quanmeng . . 7 Quan Shu . . 8 Chen Yong . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 11 _Journal_issue 1 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4206 _Page_last 4206 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Transcription initiation factor TFIID subunit 14, Nuclear protein STH1/NPS1 (E.C.3.6.4.12)' _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 'Transcription initiation factor TFIID subunit 14' _Molecular_mass 8083.089 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; SKGSVDLEKLAFGLTKLNED DLVGVVQMVTDNKTPEMNVT NNVEEGEFIIDLYSLPEGLL KSLWDYVKKNTE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . SER 2 174 LYS 3 175 GLY 4 176 SER 5 177 VAL 6 178 ASP 7 179 LEU 8 180 GLU 9 181 LYS 10 182 LEU 11 183 ALA 12 184 PHE 13 185 GLY 14 186 LEU 15 187 THR 16 188 LYS 17 189 LEU 18 190 ASN 19 191 GLU 20 192 ASP 21 193 ASP 22 194 LEU 23 195 VAL 24 196 GLY 25 197 VAL 26 198 VAL 27 199 GLN 28 200 MET 29 201 VAL 30 202 THR 31 203 ASP 32 204 ASN 33 205 LYS 34 206 THR 35 207 PRO 36 208 GLU 37 209 MET 38 210 ASN 39 211 VAL 40 212 THR 41 213 ASN 42 214 ASN 43 215 VAL 44 216 GLU 45 217 GLU 46 218 GLY 47 219 GLU 48 220 PHE 49 221 ILE 50 222 ILE 51 223 ASP 52 224 LEU 53 225 TYR 54 226 SER 55 227 LEU 56 228 PRO 57 229 GLU 58 230 GLY 59 231 LEU 60 232 LEU 61 233 LYS 62 234 SER 63 235 LEU 64 236 TRP 65 237 ASP 66 238 TYR 67 239 VAL 68 240 LYS 69 241 LYS 70 242 ASN 71 243 THR 72 244 GLU 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 protein _Name_common 'Nuclear protein STH1/NPS1' _Molecular_mass 6617.640 _Mol_thiol_state 'not present' _Details . _Residue_count 60 _Mol_residue_sequence ; SEVKSSSVEIINGSESKKKK PKLTVKIKLNKTTVLENNDG KRAEEKPESKSPAKKTAAKY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . SER 2 . GLU 3 1184 VAL 4 1185 LYS 5 1186 SER 6 1187 SER 7 1188 SER 8 1189 VAL 9 1190 GLU 10 1191 ILE 11 1192 ILE 12 1193 ASN 13 1194 GLY 14 1195 SER 15 1196 GLU 16 1197 SER 17 1198 LYS 18 1199 LYS 19 1200 LYS 20 1201 LYS 21 1202 PRO 22 1203 LYS 23 1204 LEU 24 1205 THR 25 1206 VAL 26 1207 LYS 27 1208 ILE 28 1209 LYS 29 1210 LEU 30 1211 ASN 31 1212 LYS 32 1213 THR 33 1214 THR 34 1215 VAL 35 1216 LEU 36 1217 GLU 37 1218 ASN 38 1219 ASN 39 1220 ASP 40 1221 GLY 41 1222 LYS 42 1223 ARG 43 1224 ALA 44 1225 GLU 45 1226 GLU 46 1227 LYS 47 1228 PRO 48 1229 GLU 49 1230 SER 50 1231 LYS 51 1232 SER 52 1233 PRO 53 1234 ALA 54 1235 LYS 55 1236 LYS 56 1237 THR 57 1238 ALA 58 1239 ALA 59 1240 LYS 60 1241 TYR 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 _Strain _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'TAF14, ANC1, CST10, SWP29, TAF30, TFG3, YPL129W' $entity_2 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'STH1, NPS1, YIL126W' 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 $entity_1 'recombinant technology' . Escherichia coli . . $entity_2 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-100% 13C; U-100% 15N] Taf14ET, 1.5 mM [U-100% 13C; U-100% 15N] Sth1EBMC, 20 mM Phosphate buffer, 100 mM sodium chloride, 1 % v/v inhabitor cocktail, 0.04 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'Phosphate buffer' 20 mM 'natural abundance' $entity_2 1.5 mM '[U-100% 13C; U-100% 15N]' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' 'inhabitor cocktail' 1 '% v/v' 'natural abundance' 'sodium azide' 0.04 % 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 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 NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 7.0 . 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 0.00 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACO' '3D HN(CO)CA' '3D HNHA' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' 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 1 174 2 LYS HA H 4.350 0.000 . 2 174 2 LYS HB2 H 1.838 0.000 . 3 174 2 LYS HB3 H 1.734 0.000 . 4 174 2 LYS HG2 H 1.418 0.000 . 5 174 2 LYS HG3 H 1.374 0.000 . 6 174 2 LYS HD2 H 1.659 0.000 . 7 174 2 LYS HD3 H 1.659 0.000 . 8 174 2 LYS HE2 H 2.960 0.000 . 9 174 2 LYS HE3 H 2.960 0.000 . 10 174 2 LYS C C 176.829 0.000 . 11 174 2 LYS CA C 56.729 0.000 . 12 174 2 LYS CB C 33.120 0.000 . 13 174 2 LYS CG C 24.620 0.000 . 14 174 2 LYS CD C 29.160 0.000 . 15 174 2 LYS CE C 41.890 0.000 . 16 175 3 GLY H H 8.533 0.000 . 17 175 3 GLY HA2 H 3.960 0.000 . 18 175 3 GLY HA3 H 3.960 0.000 . 19 175 3 GLY C C 174.189 0.000 . 20 175 3 GLY CA C 45.320 0.000 . 21 175 3 GLY N N 110.907 0.000 . 22 176 4 SER H H 8.262 0.000 . 23 176 4 SER HB2 H 3.805 0.000 . 24 176 4 SER HB3 H 3.805 0.000 . 25 176 4 SER C C 174.148 0.000 . 26 176 4 SER CB C 63.819 0.000 . 27 176 4 SER N N 115.912 0.000 . 28 177 5 VAL H H 8.082 0.000 . 29 177 5 VAL HA H 3.418 0.000 . 30 177 5 VAL HB H 1.695 0.000 . 31 177 5 VAL HG1 H 0.698 0.000 . 32 177 5 VAL HG2 H 0.535 0.000 . 33 177 5 VAL C C 174.394 0.000 . 34 177 5 VAL CA C 62.129 0.000 . 35 177 5 VAL CB C 32.930 0.000 . 36 177 5 VAL CG1 C 21.241 0.000 . 37 177 5 VAL CG2 C 21.241 0.000 . 38 177 5 VAL N N 122.278 0.000 . 39 178 6 ASP H H 7.617 0.000 . 40 178 6 ASP HA H 4.473 0.000 . 41 178 6 ASP HB2 H 2.632 0.000 . 42 178 6 ASP HB3 H 2.334 0.000 . 43 178 6 ASP C C 176.249 0.000 . 44 178 6 ASP CA C 52.789 0.000 . 45 178 6 ASP CB C 40.970 0.000 . 46 178 6 ASP N N 126.562 0.000 . 47 179 7 LEU H H 8.482 0.000 . 48 179 7 LEU HA H 3.764 0.000 . 49 179 7 LEU HB2 H 1.558 0.000 . 50 179 7 LEU HB3 H 1.197 0.000 . 51 179 7 LEU HG H 1.487 0.000 . 52 179 7 LEU HD1 H 0.385 0.000 . 53 179 7 LEU HD2 H 0.505 0.000 . 54 179 7 LEU C C 178.309 0.000 . 55 179 7 LEU CA C 58.159 0.000 . 56 179 7 LEU CB C 41.200 0.000 . 57 179 7 LEU CG C 27.820 0.000 . 58 179 7 LEU CD1 C 24.850 0.000 . 59 179 7 LEU CD2 C 24.380 0.000 . 60 179 7 LEU N N 127.624 0.000 . 61 180 8 GLU H H 8.055 0.000 . 62 180 8 GLU HA H 3.874 0.000 . 63 180 8 GLU HB2 H 2.151 0.000 . 64 180 8 GLU HB3 H 2.027 0.000 . 65 180 8 GLU HG2 H 2.306 0.000 . 66 180 8 GLU HG3 H 2.253 0.000 . 67 180 8 GLU C C 179.537 0.000 . 68 180 8 GLU CA C 60.219 0.000 . 69 180 8 GLU CB C 29.160 0.000 . 70 180 8 GLU CG C 36.160 0.000 . 71 180 8 GLU N N 118.663 0.000 . 72 181 9 LYS H H 7.829 0.000 . 73 181 9 LYS HA H 4.156 0.000 . 74 181 9 LYS HB2 H 1.870 0.000 . 75 181 9 LYS HB3 H 1.754 0.000 . 76 181 9 LYS HG2 H 1.544 0.000 . 77 181 9 LYS HG3 H 1.420 0.000 . 78 181 9 LYS HD2 H 1.754 0.000 . 79 181 9 LYS HD3 H 1.629 0.000 . 80 181 9 LYS HE2 H 2.984 0.000 . 81 181 9 LYS HE3 H 2.630 0.000 . 82 181 9 LYS C C 180.241 0.000 . 83 181 9 LYS CA C 59.199 0.000 . 84 181 9 LYS CB C 32.540 0.000 . 85 181 9 LYS CG C 25.860 0.000 . 86 181 9 LYS CD C 29.250 0.000 . 87 181 9 LYS CE C 41.870 0.000 . 88 181 9 LYS N N 120.103 0.000 . 89 182 10 LEU H H 8.237 0.000 . 90 182 10 LEU HA H 4.245 0.000 . 91 182 10 LEU HB2 H 2.061 0.000 . 92 182 10 LEU HB3 H 1.485 0.000 . 93 182 10 LEU HG H 1.538 0.000 . 94 182 10 LEU HD1 H 0.945 0.000 . 95 182 10 LEU HD2 H 1.053 0.000 . 96 182 10 LEU C C 177.061 0.000 . 97 182 10 LEU CA C 58.779 0.000 . 98 182 10 LEU CB C 41.450 0.000 . 99 182 10 LEU CG C 28.010 0.000 . 100 182 10 LEU CD1 C 27.070 0.000 . 101 182 10 LEU CD2 C 24.620 0.000 . 102 182 10 LEU N N 122.917 0.000 . 103 183 11 ALA H H 8.379 0.000 . 104 183 11 ALA HA H 3.805 0.000 . 105 183 11 ALA HB H 1.391 0.000 . 106 183 11 ALA C C 178.463 0.000 . 107 183 11 ALA CA C 55.779 0.000 . 108 183 11 ALA CB C 17.841 0.000 . 109 183 11 ALA N N 120.695 0.000 . 110 184 12 PHE H H 7.987 0.000 . 111 184 12 PHE HA H 4.276 0.000 . 112 184 12 PHE HB2 H 3.092 0.000 . 113 184 12 PHE HB3 H 3.239 0.000 . 114 184 12 PHE HD1 H 7.284 0.000 . 115 184 12 PHE HD2 H 7.284 0.000 . 116 184 12 PHE HE1 H 7.338 0.000 . 117 184 12 PHE HE2 H 7.338 0.000 . 118 184 12 PHE C C 179.783 0.000 . 119 184 12 PHE CA C 60.939 0.000 . 120 184 12 PHE CB C 38.870 0.000 . 121 184 12 PHE CD1 C 131.412 0.000 . 122 184 12 PHE CE1 C 131.412 0.000 . 123 184 12 PHE N N 114.285 0.000 . 124 185 13 GLY H H 8.663 0.000 . 125 185 13 GLY HA2 H 3.661 0.000 . 126 185 13 GLY HA3 H 3.661 0.000 . 127 185 13 GLY C C 175.941 0.000 . 128 185 13 GLY CA C 47.599 0.000 . 129 185 13 GLY N N 110.405 0.000 . 130 186 14 LEU H H 8.177 0.000 . 131 186 14 LEU HA H 3.950 0.000 . 132 186 14 LEU HB2 H 2.316 0.000 . 133 186 14 LEU HB3 H 1.222 0.000 . 134 186 14 LEU HG H 2.059 0.000 . 135 186 14 LEU HD1 H 0.837 0.000 . 136 186 14 LEU HD2 H 0.800 0.000 . 137 186 14 LEU C C 178.586 0.000 . 138 186 14 LEU CA C 58.199 0.000 . 139 186 14 LEU CB C 41.820 0.000 . 140 186 14 LEU CG C 26.500 0.000 . 141 186 14 LEU CD1 C 26.600 0.000 . 142 186 14 LEU CD2 C 24.730 0.000 . 143 186 14 LEU N N 119.774 0.000 . 144 187 15 THR H H 7.402 0.000 . 145 187 15 THR HA H 4.074 0.000 . 146 187 15 THR HB H 4.392 0.000 . 147 187 15 THR HG1 H 5.916 0.000 . 148 187 15 THR HG2 H 1.367 0.000 . 149 187 15 THR C C 174.836 0.000 . 150 187 15 THR CA C 63.769 0.000 . 151 187 15 THR CB C 69.469 0.000 . 152 187 15 THR CG2 C 21.281 0.000 . 153 187 15 THR N N 105.922 0.000 . 154 188 16 LYS H H 7.320 0.000 . 155 188 16 LYS HA H 4.341 0.000 . 156 188 16 LYS HB2 H 1.998 0.000 . 157 188 16 LYS HB3 H 1.829 0.000 . 158 188 16 LYS HG2 H 1.330 0.000 . 159 188 16 LYS HG3 H 1.204 0.000 . 160 188 16 LYS HD2 H 1.530 0.000 . 161 188 16 LYS HD3 H 1.530 0.000 . 162 188 16 LYS HE2 H 2.819 0.000 . 163 188 16 LYS HE3 H 2.717 0.000 . 164 188 16 LYS C C 176.737 0.000 . 165 188 16 LYS CA C 55.199 0.000 . 166 188 16 LYS CB C 32.480 0.000 . 167 188 16 LYS CG C 24.200 0.000 . 168 188 16 LYS CD C 28.510 0.000 . 169 188 16 LYS CE C 41.910 0.000 . 170 188 16 LYS N N 119.124 0.000 . 171 189 17 LEU H H 6.891 0.000 . 172 189 17 LEU HA H 4.351 0.000 . 173 189 17 LEU HB2 H 1.819 0.000 . 174 189 17 LEU HB3 H 1.505 0.000 . 175 189 17 LEU HG H 1.976 0.000 . 176 189 17 LEU HD1 H 0.957 0.000 . 177 189 17 LEU HD2 H 0.802 0.000 . 178 189 17 LEU C C 177.076 0.000 . 179 189 17 LEU CA C 54.559 0.000 . 180 189 17 LEU CB C 42.830 0.000 . 181 189 17 LEU CG C 26.370 0.000 . 182 189 17 LEU CD1 C 27.780 0.000 . 183 189 17 LEU CD2 C 24.090 0.000 . 184 189 17 LEU N N 119.498 0.000 . 185 190 18 ASN H H 9.259 0.000 . 186 190 18 ASN HA H 4.628 0.000 . 187 190 18 ASN HB2 H 3.125 0.000 . 188 190 18 ASN HB3 H 2.901 0.000 . 189 190 18 ASN HD21 H 7.567 0.000 . 190 190 18 ASN HD22 H 6.883 0.000 . 191 190 18 ASN C C 175.653 0.000 . 192 190 18 ASN CA C 52.099 0.000 . 193 190 18 ASN CB C 38.680 0.000 . 194 190 18 ASN N N 120.189 0.000 . 195 190 18 ASN ND2 N 112.883 0.000 . 196 191 19 GLU H H 8.652 0.000 . 197 191 19 GLU HA H 3.860 0.000 . 198 191 19 GLU HB2 H 2.096 0.000 . 199 191 19 GLU HB3 H 2.057 0.000 . 200 191 19 GLU HG2 H 2.328 0.000 . 201 191 19 GLU HG3 H 2.328 0.000 . 202 191 19 GLU C C 178.247 0.000 . 203 191 19 GLU CA C 60.569 0.000 . 204 191 19 GLU CB C 29.690 0.000 . 205 191 19 GLU CG C 36.590 0.000 . 206 191 19 GLU N N 119.015 0.000 . 207 192 20 ASP H H 8.236 0.000 . 208 192 20 ASP HA H 4.394 0.000 . 209 192 20 ASP HB2 H 2.638 0.000 . 210 192 20 ASP HB3 H 2.593 0.000 . 211 192 20 ASP C C 178.961 0.000 . 212 192 20 ASP CA C 57.159 0.000 . 213 192 20 ASP CB C 40.050 0.000 . 214 192 20 ASP N N 117.760 0.000 . 215 193 21 ASP H H 8.226 0.000 . 216 193 21 ASP HA H 4.753 0.000 . 217 193 21 ASP HB2 H 2.727 0.000 . 218 193 21 ASP HB3 H 2.546 0.000 . 219 193 21 ASP C C 179.989 0.000 . 220 193 21 ASP CA C 56.069 0.000 . 221 193 21 ASP CB C 41.040 0.000 . 222 193 21 ASP N N 119.689 0.000 . 223 194 22 LEU H H 8.307 0.000 . 224 194 22 LEU HA H 4.023 0.000 . 225 194 22 LEU HB2 H 1.929 0.000 . 226 194 22 LEU HB3 H 1.350 0.000 . 227 194 22 LEU HG H 1.660 0.000 . 228 194 22 LEU HD1 H 0.833 0.000 . 229 194 22 LEU HD2 H 0.847 0.000 . 230 194 22 LEU C C 178.766 0.000 . 231 194 22 LEU CA C 58.019 0.000 . 232 194 22 LEU CB C 41.950 0.000 . 233 194 22 LEU CG C 26.520 0.000 . 234 194 22 LEU CD1 C 24.940 0.000 . 235 194 22 LEU CD2 C 23.210 0.000 . 236 194 22 LEU N N 123.406 0.000 . 237 195 23 VAL H H 7.698 0.000 . 238 195 23 VAL HA H 3.365 0.000 . 239 195 23 VAL HB H 2.188 0.000 . 240 195 23 VAL HG1 H 1.089 0.000 . 241 195 23 VAL HG2 H 0.867 0.000 . 242 195 23 VAL C C 178.283 0.000 . 243 195 23 VAL CA C 66.939 0.000 . 244 195 23 VAL CB C 31.310 0.000 . 245 195 23 VAL CG1 C 23.120 0.000 . 246 195 23 VAL CG2 C 21.071 0.000 . 247 195 23 VAL N N 119.930 0.000 . 248 196 24 GLY H H 7.527 0.000 . 249 196 24 GLY HA2 H 3.915 0.000 . 250 196 24 GLY HA3 H 3.791 0.000 . 251 196 24 GLY C C 176.501 0.000 . 252 196 24 GLY CA C 46.620 0.000 . 253 196 24 GLY N N 105.703 0.000 . 254 197 25 VAL H H 7.366 0.000 . 255 197 25 VAL HA H 3.200 0.000 . 256 197 25 VAL HB H 2.291 0.000 . 257 197 25 VAL HG1 H 0.849 0.000 . 258 197 25 VAL HG2 H 0.662 0.000 . 259 197 25 VAL C C 176.526 0.000 . 260 197 25 VAL CA C 66.209 0.000 . 261 197 25 VAL CB C 31.070 0.000 . 262 197 25 VAL CG1 C 23.210 0.000 . 263 197 25 VAL CG2 C 20.061 0.000 . 264 197 25 VAL N N 121.714 0.000 . 265 198 26 VAL H H 7.410 0.000 . 266 198 26 VAL HA H 2.878 0.000 . 267 198 26 VAL HB H 1.745 0.000 . 268 198 26 VAL HG1 H 0.493 0.000 . 269 198 26 VAL HG2 H -0.056 0.000 . 270 198 26 VAL C C 178.956 0.000 . 271 198 26 VAL CA C 66.579 0.000 . 272 198 26 VAL CB C 30.650 0.000 . 273 198 26 VAL CG1 C 22.241 0.000 . 274 198 26 VAL CG2 C 20.061 0.000 . 275 198 26 VAL N N 118.848 0.000 . 276 199 27 GLN H H 8.288 0.000 . 277 199 27 GLN HA H 3.740 0.000 . 278 199 27 GLN HB2 H 2.012 0.000 . 279 199 27 GLN HB3 H 1.961 0.000 . 280 199 27 GLN HG2 H 2.340 0.000 . 281 199 27 GLN HG3 H 2.236 0.000 . 282 199 27 GLN HE21 H 7.692 0.000 . 283 199 27 GLN HE22 H 6.713 0.000 . 284 199 27 GLN C C 176.876 0.000 . 285 199 27 GLN CA C 58.759 0.000 . 286 199 27 GLN CB C 28.320 0.000 . 287 199 27 GLN CG C 33.550 0.000 . 288 199 27 GLN N N 120.517 0.000 . 289 199 27 GLN NE2 N 113.486 0.000 . 290 200 28 MET H H 7.682 0.000 . 291 200 28 MET HA H 3.956 0.000 . 292 200 28 MET HB2 H 2.108 0.000 . 293 200 28 MET HB3 H 1.831 0.000 . 294 200 28 MET HG2 H 2.452 0.000 . 295 200 28 MET HG3 H 2.218 0.000 . 296 200 28 MET HE H 1.658 0.000 . 297 200 28 MET C C 179.085 0.000 . 298 200 28 MET CA C 59.249 0.000 . 299 200 28 MET CB C 33.560 0.000 . 300 200 28 MET CG C 31.150 0.000 . 301 200 28 MET CE C 15.911 0.000 . 302 200 28 MET N N 117.875 0.000 . 303 201 29 VAL H H 7.960 0.000 . 304 201 29 VAL HA H 3.620 0.000 . 305 201 29 VAL HB H 2.157 0.000 . 306 201 29 VAL HG1 H 0.992 0.000 . 307 201 29 VAL HG2 H 0.918 0.000 . 308 201 29 VAL C C 176.645 0.000 . 309 201 29 VAL CA C 66.439 0.000 . 310 201 29 VAL CB C 31.450 0.000 . 311 201 29 VAL CG1 C 22.951 0.000 . 312 201 29 VAL CG2 C 22.301 0.000 . 313 201 29 VAL N N 116.949 0.000 . 314 202 30 THR H H 8.136 0.000 . 315 202 30 THR HA H 3.838 0.000 . 316 202 30 THR HB H 4.235 0.000 . 317 202 30 THR HG2 H 1.216 0.000 . 318 202 30 THR C C 177.179 0.000 . 319 202 30 THR CA C 66.659 0.000 . 320 202 30 THR CB C 68.879 0.000 . 321 202 30 THR CG2 C 21.331 0.000 . 322 202 30 THR N N 112.840 0.000 . 323 203 31 ASP H H 8.539 0.000 . 324 203 31 ASP HA H 4.447 0.000 . 325 203 31 ASP HB2 H 2.642 0.000 . 326 203 31 ASP HB3 H 2.581 0.000 . 327 203 31 ASP C C 176.711 0.000 . 328 203 31 ASP CA C 56.409 0.000 . 329 203 31 ASP CB C 40.580 0.000 . 330 203 31 ASP N N 120.932 0.000 . 331 204 32 ASN H H 7.198 0.000 . 332 204 32 ASN HA H 4.840 0.000 . 333 204 32 ASN HB2 H 2.888 0.000 . 334 204 32 ASN HB3 H 2.550 0.000 . 335 204 32 ASN HD21 H 8.322 0.000 . 336 204 32 ASN HD22 H 7.270 0.000 . 337 204 32 ASN C C 173.331 0.000 . 338 204 32 ASN CA C 52.909 0.000 . 339 204 32 ASN CB C 40.780 0.000 . 340 204 32 ASN N N 116.132 0.000 . 341 204 32 ASN ND2 N 116.951 0.000 . 342 205 33 LYS H H 7.151 0.000 . 343 205 33 LYS HA H 4.363 0.000 . 344 205 33 LYS HB2 H 2.010 0.000 . 345 205 33 LYS HB3 H 1.917 0.000 . 346 205 33 LYS HG2 H 1.560 0.000 . 347 205 33 LYS HG3 H 1.385 0.000 . 348 205 33 LYS HD2 H 1.760 0.000 . 349 205 33 LYS HD3 H 1.650 0.000 . 350 205 33 LYS HE2 H 3.023 0.000 . 351 205 33 LYS HE3 H 3.023 0.000 . 352 205 33 LYS C C 176.290 0.000 . 353 205 33 LYS CA C 57.569 0.000 . 354 205 33 LYS CB C 33.110 0.000 . 355 205 33 LYS CG C 24.740 0.000 . 356 205 33 LYS CD C 29.440 0.000 . 357 205 33 LYS CE C 42.060 0.000 . 358 205 33 LYS N N 120.039 0.000 . 359 206 34 THR H H 8.117 0.000 . 360 206 34 THR HA H 4.975 0.000 . 361 206 34 THR HB H 4.655 0.000 . 362 206 34 THR HG2 H 1.336 0.000 . 363 206 34 THR C C 174.841 0.000 . 364 206 34 THR CA C 59.119 0.000 . 365 206 34 THR CB C 68.719 0.000 . 366 206 34 THR CG2 C 22.291 0.000 . 367 206 34 THR N N 118.630 0.000 . 368 207 35 PRO HA H 4.365 0.000 . 369 207 35 PRO HB2 H 1.908 0.000 . 370 207 35 PRO HB3 H 2.430 0.000 . 371 207 35 PRO HG2 H 1.996 0.000 . 372 207 35 PRO HG3 H 2.167 0.000 . 373 207 35 PRO HD2 H 3.879 0.000 . 374 207 35 PRO HD3 H 3.944 0.000 . 375 207 35 PRO C C 177.230 0.000 . 376 207 35 PRO CA C 65.059 0.000 . 377 207 35 PRO CB C 32.080 0.000 . 378 207 35 PRO CG C 27.720 0.000 . 379 207 35 PRO CD C 51.159 0.000 . 380 208 36 GLU H H 8.204 0.000 . 381 208 36 GLU HA H 4.205 0.000 . 382 208 36 GLU HB2 H 2.108 0.000 . 383 208 36 GLU HB3 H 2.014 0.000 . 384 208 36 GLU HG2 H 2.369 0.000 . 385 208 36 GLU HG3 H 2.249 0.000 . 386 208 36 GLU C C 176.865 0.000 . 387 208 36 GLU CA C 57.549 0.000 . 388 208 36 GLU CB C 29.150 0.000 . 389 208 36 GLU CG C 36.680 0.000 . 390 208 36 GLU N N 114.077 0.000 . 391 209 37 MET H H 7.418 0.000 . 392 209 37 MET HA H 4.070 0.000 . 393 209 37 MET HB2 H 2.102 0.000 . 394 209 37 MET HB3 H 1.858 0.000 . 395 209 37 MET HG2 H 2.734 0.000 . 396 209 37 MET HG3 H 2.648 0.000 . 397 209 37 MET HE H 2.055 0.000 . 398 209 37 MET C C 175.175 0.000 . 399 209 37 MET CA C 56.359 0.000 . 400 209 37 MET CB C 34.660 0.000 . 401 209 37 MET CG C 31.280 0.000 . 402 209 37 MET CE C 16.647 0.000 . 403 209 37 MET N N 118.330 0.000 . 404 210 38 ASN H H 8.761 0.000 . 405 210 38 ASN HA H 4.918 0.000 . 406 210 38 ASN HB2 H 2.952 0.000 . 407 210 38 ASN HB3 H 2.831 0.000 . 408 210 38 ASN HD21 H 7.982 0.000 . 409 210 38 ASN HD22 H 6.827 0.000 . 410 210 38 ASN C C 173.762 0.000 . 411 210 38 ASN CA C 52.209 0.000 . 412 210 38 ASN CB C 38.120 0.000 . 413 210 38 ASN N N 121.132 0.000 . 414 210 38 ASN ND2 N 112.408 0.000 . 415 211 39 VAL H H 7.782 0.000 . 416 211 39 VAL HA H 4.787 0.000 . 417 211 39 VAL HB H 1.768 0.000 . 418 211 39 VAL HG1 H 0.664 0.000 . 419 211 39 VAL HG2 H 0.757 0.000 . 420 211 39 VAL C C 175.144 0.000 . 421 211 39 VAL CA C 60.009 0.000 . 422 211 39 VAL CB C 35.380 0.000 . 423 211 39 VAL CG1 C 21.331 0.000 . 424 211 39 VAL CG2 C 21.241 0.000 . 425 211 39 VAL N N 122.387 0.000 . 426 212 40 THR H H 8.827 0.000 . 427 212 40 THR HA H 4.453 0.000 . 428 212 40 THR HB H 3.932 0.000 . 429 212 40 THR HG2 H 1.104 0.000 . 430 212 40 THR C C 172.165 0.000 . 431 212 40 THR CA C 61.279 0.000 . 432 212 40 THR CB C 70.929 0.000 . 433 212 40 THR CG2 C 21.311 0.000 . 434 212 40 THR N N 121.754 0.000 . 435 213 41 ASN H H 8.851 0.000 . 436 213 41 ASN HA H 5.005 0.000 . 437 213 41 ASN HB2 H 2.799 0.000 . 438 213 41 ASN HB3 H 2.465 0.000 . 439 213 41 ASN HD21 H 7.172 0.000 . 440 213 41 ASN HD22 H 6.599 0.000 . 441 213 41 ASN C C 173.896 0.000 . 442 213 41 ASN CA C 51.569 0.000 . 443 213 41 ASN CB C 39.710 0.000 . 444 213 41 ASN N N 124.068 0.000 . 445 213 41 ASN ND2 N 109.492 0.000 . 446 214 42 ASN H H 8.410 0.000 . 447 214 42 ASN HA H 4.964 0.000 . 448 214 42 ASN HB2 H 3.070 0.000 . 449 214 42 ASN HB3 H 2.620 0.000 . 450 214 42 ASN HD21 H 7.705 0.000 . 451 214 42 ASN HD22 H 6.894 0.000 . 452 214 42 ASN C C 175.797 0.000 . 453 214 42 ASN CA C 51.639 0.000 . 454 214 42 ASN CB C 37.780 0.000 . 455 214 42 ASN N N 123.470 0.000 . 456 214 42 ASN ND2 N 112.245 0.000 . 457 215 43 VAL H H 8.152 0.000 . 458 215 43 VAL HA H 3.685 0.000 . 459 215 43 VAL HB H 2.051 0.000 . 460 215 43 VAL HG1 H 0.984 0.000 . 461 215 43 VAL HG2 H 0.928 0.000 . 462 215 43 VAL C C 178.509 0.000 . 463 215 43 VAL CA C 65.359 0.000 . 464 215 43 VAL CB C 31.850 0.000 . 465 215 43 VAL CG1 C 21.541 0.000 . 466 215 43 VAL CG2 C 20.981 0.000 . 467 215 43 VAL N N 123.671 0.000 . 468 216 44 GLU H H 8.723 0.000 . 469 216 44 GLU HA H 4.048 0.000 . 470 216 44 GLU HB2 H 2.067 0.000 . 471 216 44 GLU HB3 H 2.020 0.000 . 472 216 44 GLU HG2 H 2.324 0.000 . 473 216 44 GLU HG3 H 2.287 0.000 . 474 216 44 GLU C C 177.831 0.000 . 475 216 44 GLU CA C 59.239 0.000 . 476 216 44 GLU CB C 29.100 0.000 . 477 216 44 GLU CG C 36.810 0.000 . 478 216 44 GLU N N 121.023 0.000 . 479 217 45 GLU H H 7.454 0.000 . 480 217 45 GLU HA H 4.347 0.000 . 481 217 45 GLU HB2 H 2.128 0.000 . 482 217 45 GLU HB3 H 1.562 0.000 . 483 217 45 GLU HG2 H 2.210 0.000 . 484 217 45 GLU HG3 H 2.155 0.000 . 485 217 45 GLU C C 176.537 0.000 . 486 217 45 GLU CA C 55.609 0.000 . 487 217 45 GLU CB C 30.360 0.000 . 488 217 45 GLU CG C 36.350 0.000 . 489 217 45 GLU N N 115.003 0.000 . 490 218 46 GLY H H 7.891 0.000 . 491 218 46 GLY HA2 H 3.999 0.000 . 492 218 46 GLY HA3 H 3.848 0.000 . 493 218 46 GLY C C 173.372 0.000 . 494 218 46 GLY CA C 46.910 0.000 . 495 218 46 GLY N N 109.629 0.000 . 496 219 47 GLU H H 7.454 0.000 . 497 219 47 GLU HA H 5.254 0.000 . 498 219 47 GLU HB2 H 1.760 0.000 . 499 219 47 GLU HB3 H 1.760 0.000 . 500 219 47 GLU HG2 H 2.080 0.000 . 501 219 47 GLU HG3 H 1.917 0.000 . 502 219 47 GLU C C 174.138 0.000 . 503 219 47 GLU CA C 54.469 0.000 . 504 219 47 GLU CB C 34.050 0.000 . 505 219 47 GLU CG C 36.880 0.000 . 506 219 47 GLU N N 116.241 0.000 . 507 220 48 PHE H H 9.308 0.000 . 508 220 48 PHE HA H 5.160 0.000 . 509 220 48 PHE HB2 H 2.785 0.000 . 510 220 48 PHE HB3 H 2.856 0.000 . 511 220 48 PHE HD1 H 7.033 0.000 . 512 220 48 PHE HD2 H 7.033 0.000 . 513 220 48 PHE C C 174.076 0.000 . 514 220 48 PHE CA C 56.839 0.000 . 515 220 48 PHE CB C 42.230 0.000 . 516 220 48 PHE CD1 C 131.637 0.000 . 517 220 48 PHE N N 126.186 0.000 . 518 221 49 ILE H H 8.829 0.000 . 519 221 49 ILE HA H 5.007 0.000 . 520 221 49 ILE HB H 1.693 0.000 . 521 221 49 ILE HG12 H 1.432 0.000 . 522 221 49 ILE HG13 H 0.806 0.000 . 523 221 49 ILE HG2 H 0.725 0.000 . 524 221 49 ILE HD1 H 0.788 0.000 . 525 221 49 ILE C C 175.576 0.000 . 526 221 49 ILE CA C 60.479 0.000 . 527 221 49 ILE CB C 39.570 0.000 . 528 221 49 ILE CG1 C 27.980 0.000 . 529 221 49 ILE CG2 C 18.511 0.000 . 530 221 49 ILE CD1 C 13.641 0.000 . 531 221 49 ILE N N 126.036 0.000 . 532 222 50 ILE H H 9.063 0.000 . 533 222 50 ILE HA H 4.590 0.000 . 534 222 50 ILE HB H 1.668 0.000 . 535 222 50 ILE HG12 H 1.578 0.000 . 536 222 50 ILE HG13 H 0.929 0.000 . 537 222 50 ILE HG2 H 0.727 0.000 . 538 222 50 ILE HD1 H 0.768 0.000 . 539 222 50 ILE C C 174.528 0.000 . 540 222 50 ILE CA C 59.819 0.000 . 541 222 50 ILE CB C 42.770 0.000 . 542 222 50 ILE CG1 C 27.090 0.000 . 543 222 50 ILE CG2 C 18.511 0.000 . 544 222 50 ILE CD1 C 14.191 0.000 . 545 222 50 ILE N N 124.666 0.000 . 546 223 51 ASP H H 7.737 0.000 . 547 223 51 ASP HA H 5.197 0.000 . 548 223 51 ASP HB2 H 3.029 0.000 . 549 223 51 ASP HB3 H 2.762 0.000 . 550 223 51 ASP C C 179.085 0.000 . 551 223 51 ASP CA C 52.089 0.000 . 552 223 51 ASP CB C 40.930 0.000 . 553 223 51 ASP N N 123.809 0.000 . 554 224 52 LEU H H 9.211 0.000 . 555 224 52 LEU HA H 3.927 0.000 . 556 224 52 LEU HB2 H 1.782 0.000 . 557 224 52 LEU HB3 H 1.458 0.000 . 558 224 52 LEU HG H 1.837 0.000 . 559 224 52 LEU HD1 H 0.841 0.000 . 560 224 52 LEU HD2 H 0.698 0.000 . 561 224 52 LEU C C 177.672 0.000 . 562 224 52 LEU CA C 58.299 0.000 . 563 224 52 LEU CB C 42.270 0.000 . 564 224 52 LEU CG C 27.090 0.000 . 565 224 52 LEU CD1 C 26.150 0.000 . 566 224 52 LEU CD2 C 22.431 0.000 . 567 224 52 LEU N N 128.469 0.000 . 568 225 53 TYR H H 8.082 0.000 . 569 225 53 TYR HA H 4.162 0.000 . 570 225 53 TYR HB2 H 3.098 0.000 . 571 225 53 TYR HB3 H 3.151 0.000 . 572 225 53 TYR HD1 H 7.088 0.000 . 573 225 53 TYR HD2 H 7.088 0.000 . 574 225 53 TYR HE1 H 6.719 0.000 . 575 225 53 TYR HE2 H 6.719 0.000 . 576 225 53 TYR C C 176.398 0.000 . 577 225 53 TYR CA C 61.089 0.000 . 578 225 53 TYR CB C 38.500 0.000 . 579 225 53 TYR CD1 C 132.506 0.000 . 580 225 53 TYR CE1 C 118.270 0.000 . 581 225 53 TYR N N 113.755 0.000 . 582 226 54 SER H H 7.780 0.000 . 583 226 54 SER HA H 4.604 0.000 . 584 226 54 SER HB2 H 4.471 0.000 . 585 226 54 SER HB3 H 3.883 0.000 . 586 226 54 SER C C 173.254 0.000 . 587 226 54 SER CA C 58.429 0.000 . 588 226 54 SER CB C 65.039 0.000 . 589 226 54 SER N N 114.043 0.000 . 590 227 55 LEU H H 6.970 0.000 . 591 227 55 LEU HA H 4.573 0.000 . 592 227 55 LEU HB2 H 1.837 0.000 . 593 227 55 LEU HB3 H 1.352 0.000 . 594 227 55 LEU HG H 1.992 0.000 . 595 227 55 LEU HD1 H 0.819 0.000 . 596 227 55 LEU HD2 H 0.776 0.000 . 597 227 55 LEU C C 173.999 0.000 . 598 227 55 LEU CA C 53.139 0.000 . 599 227 55 LEU CB C 40.980 0.000 . 600 227 55 LEU CG C 28.050 0.000 . 601 227 55 LEU CD1 C 25.600 0.000 . 602 227 55 LEU CD2 C 23.590 0.000 . 603 227 55 LEU N N 121.887 0.000 . 604 228 56 PRO HA H 4.614 0.000 . 605 228 56 PRO HB2 H 2.179 0.000 . 606 228 56 PRO HB3 H 2.422 0.000 . 607 228 56 PRO HG2 H 2.128 0.000 . 608 228 56 PRO HG3 H 2.232 0.000 . 609 228 56 PRO HD2 H 3.636 0.000 . 610 228 56 PRO HD3 H 3.868 0.000 . 611 228 56 PRO C C 177.333 0.000 . 612 228 56 PRO CA C 61.999 0.000 . 613 228 56 PRO CB C 32.090 0.000 . 614 228 56 PRO CG C 27.420 0.000 . 615 228 56 PRO CD C 50.799 0.000 . 616 229 57 GLU H H 8.865 0.000 . 617 229 57 GLU HA H 3.875 0.000 . 618 229 57 GLU HB2 H 2.120 0.000 . 619 229 57 GLU HB3 H 1.984 0.000 . 620 229 57 GLU HG2 H 2.300 0.000 . 621 229 57 GLU HG3 H 2.238 0.000 . 622 229 57 GLU C C 178.407 0.000 . 623 229 57 GLU CA C 60.279 0.000 . 624 229 57 GLU CB C 29.800 0.000 . 625 229 57 GLU CG C 36.240 0.000 . 626 229 57 GLU N N 121.513 0.000 . 627 230 58 GLY H H 8.944 0.000 . 628 230 58 GLY HA2 H 3.885 0.000 . 629 230 58 GLY HA3 H 3.779 0.000 . 630 230 58 GLY C C 176.434 0.000 . 631 230 58 GLY CA C 47.219 0.000 . 632 230 58 GLY N N 105.836 0.000 . 633 231 59 LEU H H 7.007 0.000 . 634 231 59 LEU HA H 4.370 0.000 . 635 231 59 LEU HB2 H 1.756 0.000 . 636 231 59 LEU HB3 H 1.629 0.000 . 637 231 59 LEU HG H 1.570 0.000 . 638 231 59 LEU HD1 H 1.018 0.000 . 639 231 59 LEU HD2 H 0.912 0.000 . 640 231 59 LEU C C 178.242 0.000 . 641 231 59 LEU CA C 56.509 0.000 . 642 231 59 LEU CB C 42.100 0.000 . 643 231 59 LEU CG C 27.380 0.000 . 644 231 59 LEU CD1 C 27.560 0.000 . 645 231 59 LEU CD2 C 23.120 0.000 . 646 231 59 LEU N N 122.917 0.000 . 647 232 60 LEU H H 8.079 0.000 . 648 232 60 LEU HA H 3.874 0.000 . 649 232 60 LEU HB2 H 1.986 0.000 . 650 232 60 LEU HB3 H 1.218 0.000 . 651 232 60 LEU HG H 1.554 0.000 . 652 232 60 LEU HD1 H 0.837 0.000 . 653 232 60 LEU HD2 H 0.814 0.000 . 654 232 60 LEU C C 178.705 0.000 . 655 232 60 LEU CA C 58.549 0.000 . 656 232 60 LEU CB C 42.090 0.000 . 657 232 60 LEU CG C 26.380 0.000 . 658 232 60 LEU CD1 C 25.720 0.000 . 659 232 60 LEU CD2 C 24.140 0.000 . 660 232 60 LEU N N 119.527 0.000 . 661 233 61 LYS H H 8.293 0.000 . 662 233 61 LYS HA H 3.993 0.000 . 663 233 61 LYS HB2 H 2.016 0.000 . 664 233 61 LYS HB3 H 1.933 0.000 . 665 233 61 LYS HG2 H 1.601 0.000 . 666 233 61 LYS HG3 H 1.413 0.000 . 667 233 61 LYS HD2 H 1.760 0.000 . 668 233 61 LYS HD3 H 1.615 0.000 . 669 233 61 LYS HE2 H 2.990 0.000 . 670 233 61 LYS HE3 H 2.990 0.000 . 671 233 61 LYS C C 178.776 0.000 . 672 233 61 LYS CA C 59.949 0.000 . 673 233 61 LYS CB C 31.900 0.000 . 674 233 61 LYS CG C 25.670 0.000 . 675 233 61 LYS CD C 28.960 0.000 . 676 233 61 LYS CE C 41.890 0.000 . 677 233 61 LYS N N 118.302 0.000 . 678 234 62 SER H H 7.856 0.000 . 679 234 62 SER HA H 4.327 0.000 . 680 234 62 SER HB2 H 4.044 0.000 . 681 234 62 SER HB3 H 4.003 0.000 . 682 234 62 SER C C 177.682 0.000 . 683 234 62 SER CA C 62.559 0.000 . 684 234 62 SER CB C 62.869 0.000 . 685 234 62 SER N N 116.143 0.000 . 686 235 63 LEU H H 8.890 0.000 . 687 235 63 LEU HA H 4.044 0.000 . 688 235 63 LEU HB2 H 2.020 0.000 . 689 235 63 LEU HB3 H 1.438 0.000 . 690 235 63 LEU HG H 1.794 0.000 . 691 235 63 LEU HD1 H 0.729 0.000 . 692 235 63 LEU HD2 H 0.759 0.000 . 693 235 63 LEU C C 177.908 0.000 . 694 235 63 LEU CA C 57.869 0.000 . 695 235 63 LEU CB C 42.680 0.000 . 696 235 63 LEU CG C 26.840 0.000 . 697 235 63 LEU CD1 C 25.590 0.000 . 698 235 63 LEU CD2 C 24.880 0.000 . 699 235 63 LEU N N 123.941 0.000 . 700 236 64 TRP H H 8.854 0.000 . 701 236 64 TRP HA H 4.421 0.000 . 702 236 64 TRP HB2 H 3.273 0.000 . 703 236 64 TRP HB3 H 3.498 0.000 . 704 236 64 TRP HD1 H 7.359 0.000 . 705 236 64 TRP HE1 H 10.275 0.000 . 706 236 64 TRP HE3 H 7.417 0.000 . 707 236 64 TRP HZ2 H 7.548 0.000 . 708 236 64 TRP HZ3 H 6.945 0.000 . 709 236 64 TRP HH2 H 7.176 0.000 . 710 236 64 TRP C C 176.953 0.000 . 711 236 64 TRP CA C 59.719 0.000 . 712 236 64 TRP CB C 29.800 0.000 . 713 236 64 TRP CD1 C 128.155 0.000 . 714 236 64 TRP CE3 C 120.020 0.000 . 715 236 64 TRP CZ2 C 115.163 0.000 . 716 236 64 TRP CZ3 C 120.517 0.000 . 717 236 64 TRP CH2 C 124.111 0.000 . 718 236 64 TRP N N 120.896 0.000 . 719 236 64 TRP NE1 N 129.505 0.000 . 720 237 65 ASP H H 8.373 0.000 . 721 237 65 ASP HA H 4.090 0.000 . 722 237 65 ASP HB2 H 2.772 0.000 . 723 237 65 ASP HB3 H 2.605 0.000 . 724 237 65 ASP C C 178.283 0.000 . 725 237 65 ASP CA C 57.489 0.000 . 726 237 65 ASP CB C 40.310 0.000 . 727 237 65 ASP N N 118.284 0.000 . 728 238 66 TYR H H 7.758 0.000 . 729 238 66 TYR HA H 3.984 0.000 . 730 238 66 TYR HB2 H 3.041 0.000 . 731 238 66 TYR HB3 H 3.204 0.000 . 732 238 66 TYR HD1 H 6.853 0.000 . 733 238 66 TYR HD2 H 6.853 0.000 . 734 238 66 TYR HE1 H 6.718 0.000 . 735 238 66 TYR HE2 H 6.718 0.000 . 736 238 66 TYR C C 177.713 0.000 . 737 238 66 TYR CA C 61.509 0.000 . 738 238 66 TYR CB C 39.110 0.000 . 739 238 66 TYR CD1 C 132.498 0.000 . 740 238 66 TYR CE1 C 118.318 0.000 . 741 238 66 TYR N N 120.672 0.000 . 742 239 67 VAL H H 8.572 0.000 . 743 239 67 VAL HA H 3.383 0.000 . 744 239 67 VAL HB H 2.059 0.000 . 745 239 67 VAL HG1 H 1.053 0.000 . 746 239 67 VAL HG2 H 0.766 0.000 . 747 239 67 VAL C C 178.592 0.000 . 748 239 67 VAL CA C 66.409 0.000 . 749 239 67 VAL CB C 31.800 0.000 . 750 239 67 VAL CG1 C 24.010 0.000 . 751 239 67 VAL CG2 C 21.391 0.000 . 752 239 67 VAL N N 119.763 0.000 . 753 240 68 LYS H H 8.435 0.000 . 754 240 68 LYS HA H 3.455 0.000 . 755 240 68 LYS HB2 H 1.214 0.000 . 756 240 68 LYS HB3 H 1.055 0.000 . 757 240 68 LYS HG2 H 0.861 0.000 . 758 240 68 LYS HG3 H 0.861 0.000 . 759 240 68 LYS HD2 H 1.338 0.000 . 760 240 68 LYS HD3 H 1.275 0.000 . 761 240 68 LYS HE2 H 2.778 0.000 . 762 240 68 LYS HE3 H 2.675 0.000 . 763 240 68 LYS C C 178.232 0.000 . 764 240 68 LYS CA C 58.819 0.000 . 765 240 68 LYS CB C 31.300 0.000 . 766 240 68 LYS CG C 23.910 0.000 . 767 240 68 LYS CD C 28.770 0.000 . 768 240 68 LYS CE C 41.640 0.000 . 769 240 68 LYS N N 121.599 0.000 . 770 241 69 LYS H H 7.519 0.000 . 771 241 69 LYS HA H 3.970 0.000 . 772 241 69 LYS HB2 H 1.756 0.000 . 773 241 69 LYS HB3 H 1.629 0.000 . 774 241 69 LYS HG2 H 1.295 0.000 . 775 241 69 LYS HG3 H 1.256 0.000 . 776 241 69 LYS HD2 H 1.530 0.000 . 777 241 69 LYS HD3 H 1.530 0.000 . 778 241 69 LYS HE2 H 2.842 0.000 . 779 241 69 LYS HE3 H 2.842 0.000 . 780 241 69 LYS C C 177.441 0.000 . 781 241 69 LYS CA C 58.209 0.000 . 782 241 69 LYS CB C 32.140 0.000 . 783 241 69 LYS CG C 24.370 0.000 . 784 241 69 LYS CD C 29.070 0.000 . 785 241 69 LYS CE C 41.920 0.000 . 786 241 69 LYS N N 116.713 0.000 . 787 242 70 ASN H H 7.228 0.000 . 788 242 70 ASN HA H 4.742 0.000 . 789 242 70 ASN HB2 H 2.750 0.000 . 790 242 70 ASN HB3 H 2.090 0.000 . 791 242 70 ASN HD21 H 6.296 0.000 . 792 242 70 ASN HD22 H 5.904 0.000 . 793 242 70 ASN C C 174.513 0.000 . 794 242 70 ASN CA C 54.139 0.000 . 795 242 70 ASN CB C 39.840 0.000 . 796 242 70 ASN N N 113.784 0.000 . 797 242 70 ASN ND2 N 112.543 0.000 . 798 243 71 THR H H 7.385 0.000 . 799 243 71 THR HA H 4.545 0.000 . 800 243 71 THR HB H 4.203 0.000 . 801 243 71 THR HG2 H 1.106 0.000 . 802 243 71 THR C C 173.382 0.000 . 803 243 71 THR CA C 61.429 0.000 . 804 243 71 THR CB C 71.019 0.000 . 805 243 71 THR CG2 C 22.321 0.000 . 806 243 71 THR N N 109.554 0.000 . 807 244 72 GLU H H 7.628 0.000 . 808 244 72 GLU HA H 4.152 0.000 . 809 244 72 GLU HB2 H 1.998 0.000 . 810 244 72 GLU HB3 H 1.892 0.000 . 811 244 72 GLU HG2 H 2.214 0.000 . 812 244 72 GLU HG3 H 2.214 0.000 . 813 244 72 GLU C C 181.063 0.000 . 814 244 72 GLU CA C 57.989 0.000 . 815 244 72 GLU CB C 31.520 0.000 . 816 244 72 GLU CG C 37.030 0.000 . 817 244 72 GLU N N 127.356 0.000 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACO' '3D HN(CO)CA' '3D HNHA' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' 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_2 _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 1184 3 VAL HA H 4.113 0.000 . 2 1184 3 VAL HB H 2.012 0.000 . 3 1184 3 VAL HG1 H 0.894 0.000 . 4 1184 3 VAL HG2 H 0.894 0.000 . 5 1184 3 VAL C C 176.074 0.000 . 6 1184 3 VAL CA C 62.129 0.000 . 7 1184 3 VAL CB C 33.130 0.000 . 8 1184 3 VAL CG1 C 20.901 0.000 . 9 1185 4 LYS H H 8.463 0.000 . 10 1185 4 LYS HA H 4.455 0.000 . 11 1185 4 LYS HB2 H 1.853 0.000 . 12 1185 4 LYS HB3 H 1.762 0.000 . 13 1185 4 LYS HG2 H 1.426 0.000 . 14 1185 4 LYS HG3 H 1.426 0.000 . 15 1185 4 LYS HD2 H 1.668 0.000 . 16 1185 4 LYS HD3 H 1.668 0.000 . 17 1185 4 LYS HE2 H 2.960 0.000 . 18 1185 4 LYS HE3 H 2.960 0.000 . 19 1185 4 LYS C C 176.244 0.000 . 20 1185 4 LYS CA C 56.049 0.000 . 21 1185 4 LYS CB C 33.300 0.000 . 22 1185 4 LYS CG C 24.680 0.000 . 23 1185 4 LYS CD C 28.870 0.000 . 24 1185 4 LYS CE C 41.890 0.000 . 25 1185 4 LYS N N 126.065 0.000 . 26 1186 5 SER H H 8.473 0.000 . 27 1186 5 SER HA H 4.738 0.000 . 28 1186 5 SER HB2 H 3.895 0.000 . 29 1186 5 SER HB3 H 3.895 0.000 . 30 1186 5 SER C C 174.451 0.000 . 31 1186 5 SER CA C 58.429 0.000 . 32 1186 5 SER CB C 64.459 0.000 . 33 1186 5 SER N N 117.687 0.000 . 34 1187 6 SER H H 8.772 0.000 . 35 1187 6 SER HA H 4.740 0.000 . 36 1187 6 SER HB2 H 3.913 0.000 . 37 1187 6 SER HB3 H 3.913 0.000 . 38 1187 6 SER CA C 58.719 0.000 . 39 1187 6 SER CB C 64.529 0.000 . 40 1187 6 SER N N 117.507 0.000 . 41 1188 7 SER HA H 4.490 0.000 . 42 1188 7 SER HB2 H 3.854 0.000 . 43 1188 7 SER HB3 H 3.854 0.000 . 44 1188 7 SER C C 174.415 0.000 . 45 1188 7 SER CA C 58.339 0.000 . 46 1188 7 SER CB C 63.759 0.000 . 47 1189 8 VAL H H 8.027 0.000 . 48 1189 8 VAL HA H 4.117 0.000 . 49 1189 8 VAL HB H 2.061 0.000 . 50 1189 8 VAL HG1 H 0.892 0.000 . 51 1189 8 VAL HG2 H 0.892 0.000 . 52 1189 8 VAL CA C 62.309 0.000 . 53 1189 8 VAL CB C 32.660 0.000 . 54 1189 8 VAL CG1 C 20.781 0.000 . 55 1189 8 VAL N N 120.995 0.000 . 56 1192 11 ILE HA H 4.137 0.000 . 57 1192 11 ILE HB H 1.815 0.000 . 58 1192 11 ILE HG12 H 1.446 0.000 . 59 1192 11 ILE HG13 H 1.149 0.000 . 60 1192 11 ILE HG2 H 0.847 0.000 . 61 1192 11 ILE HD1 H 0.818 0.000 . 62 1192 11 ILE C C 176.054 0.000 . 63 1192 11 ILE CA C 61.019 0.000 . 64 1192 11 ILE CB C 38.580 0.000 . 65 1192 11 ILE CG1 C 27.260 0.000 . 66 1192 11 ILE CG2 C 17.571 0.000 . 67 1192 11 ILE CD1 C 12.691 0.000 . 68 1193 12 ASN H H 8.604 0.000 . 69 1193 12 ASN HA H 4.702 0.000 . 70 1193 12 ASN HB2 H 2.833 0.000 . 71 1193 12 ASN HB3 H 2.709 0.000 . 72 1193 12 ASN HD21 H 7.591 0.000 . 73 1193 12 ASN HD22 H 6.914 0.000 . 74 1193 12 ASN C C 175.792 0.000 . 75 1193 12 ASN CA C 53.429 0.000 . 76 1193 12 ASN CB C 38.970 0.000 . 77 1193 12 ASN N N 123.377 0.000 . 78 1193 12 ASN ND2 N 112.327 0.000 . 79 1194 13 GLY H H 8.435 0.000 . 80 1194 13 GLY HA2 H 3.901 0.000 . 81 1194 13 GLY HA3 H 3.901 0.000 . 82 1194 13 GLY C C 174.538 0.000 . 83 1194 13 GLY CA C 45.750 0.000 . 84 1194 13 GLY N N 109.830 0.000 . 85 1196 15 GLU HA H 4.247 0.000 . 86 1196 15 GLU HB2 H 2.043 0.000 . 87 1196 15 GLU HB3 H 2.043 0.000 . 88 1196 15 GLU HG2 H 2.188 0.000 . 89 1196 15 GLU HG3 H 2.188 0.000 . 90 1196 15 GLU C C 176.634 0.000 . 91 1196 15 GLU CA C 57.209 0.000 . 92 1196 15 GLU CB C 30.240 0.000 . 93 1196 15 GLU CG C 36.380 0.000 . 94 1197 16 SER H H 8.473 0.000 . 95 1197 16 SER HA H 4.453 0.000 . 96 1197 16 SER HB2 H 3.891 0.000 . 97 1197 16 SER HB3 H 3.891 0.000 . 98 1197 16 SER C C 174.543 0.000 . 99 1197 16 SER CA C 58.239 0.000 . 100 1197 16 SER CB C 63.849 0.000 . 101 1197 16 SER N N 117.434 0.000 . 102 1198 17 LYS CA C 54.179 0.000 . 103 1198 17 LYS CB C 32.270 0.000 . 104 1202 21 PRO HA H 4.231 0.000 . 105 1202 21 PRO HB2 H 1.935 0.000 . 106 1202 21 PRO HB3 H 2.010 0.000 . 107 1202 21 PRO HG2 H 1.778 0.000 . 108 1202 21 PRO HG3 H 1.778 0.000 . 109 1202 21 PRO HD2 H 3.842 0.000 . 110 1202 21 PRO HD3 H 3.842 0.000 . 111 1202 21 PRO C C 175.083 0.000 . 112 1202 21 PRO CA C 62.969 0.000 . 113 1202 21 PRO CB C 31.880 0.000 . 114 1202 21 PRO CG C 26.950 0.000 . 115 1202 21 PRO CD C 50.489 0.000 . 116 1203 22 LYS H H 7.881 0.000 . 117 1203 22 LYS HA H 4.494 0.000 . 118 1203 22 LYS HB2 H 1.582 0.000 . 119 1203 22 LYS HB3 H 1.550 0.000 . 120 1203 22 LYS HG2 H 1.326 0.000 . 121 1203 22 LYS HG3 H 1.326 0.000 . 122 1203 22 LYS HD2 H 1.660 0.000 . 123 1203 22 LYS HD3 H 1.523 0.000 . 124 1203 22 LYS HE2 H 2.848 0.000 . 125 1203 22 LYS HE3 H 2.848 0.000 . 126 1203 22 LYS C C 175.334 0.000 . 127 1203 22 LYS CA C 55.719 0.000 . 128 1203 22 LYS CB C 35.520 0.000 . 129 1203 22 LYS CG C 24.250 0.000 . 130 1203 22 LYS CD C 29.420 0.000 . 131 1203 22 LYS CE C 41.830 0.000 . 132 1203 22 LYS N N 120.046 0.000 . 133 1204 23 LEU H H 8.576 0.000 . 134 1204 23 LEU HA H 4.579 0.000 . 135 1204 23 LEU HB2 H 1.703 0.000 . 136 1204 23 LEU HB3 H 1.585 0.000 . 137 1204 23 LEU HG H 1.540 0.000 . 138 1204 23 LEU HD1 H 0.751 0.000 . 139 1204 23 LEU HD2 H 0.845 0.000 . 140 1204 23 LEU CA C 56.029 0.000 . 141 1204 23 LEU CB C 43.500 0.000 . 142 1204 23 LEU CG C 28.110 0.000 . 143 1204 23 LEU CD1 C 25.850 0.000 . 144 1204 23 LEU CD2 C 24.570 0.000 . 145 1204 23 LEU N N 126.948 0.000 . 146 1205 24 THR HA H 5.123 0.000 . 147 1205 24 THR HB H 3.944 0.000 . 148 1205 24 THR HG2 H 1.004 0.000 . 149 1205 24 THR C C 173.331 0.000 . 150 1205 24 THR CA C 61.929 0.000 . 151 1205 24 THR CB C 69.939 0.000 . 152 1205 24 THR CG2 C 22.581 0.000 . 153 1206 25 VAL H H 8.985 0.000 . 154 1206 25 VAL HA H 4.938 0.000 . 155 1206 25 VAL HB H 1.890 0.000 . 156 1206 25 VAL HG1 H 0.849 0.000 . 157 1206 25 VAL HG2 H 0.890 0.000 . 158 1206 25 VAL C C 173.521 0.000 . 159 1206 25 VAL CA C 59.499 0.000 . 160 1206 25 VAL CB C 34.360 0.000 . 161 1206 25 VAL CG1 C 21.721 0.000 . 162 1206 25 VAL CG2 C 20.491 0.000 . 163 1206 25 VAL N N 122.514 0.000 . 164 1207 26 LYS HA H 5.113 0.000 . 165 1207 26 LYS HB2 H 1.705 0.000 . 166 1207 26 LYS HB3 H 1.566 0.000 . 167 1207 26 LYS HG2 H 1.193 0.000 . 168 1207 26 LYS HG3 H 1.134 0.000 . 169 1207 26 LYS HD2 H 1.593 0.000 . 170 1207 26 LYS HD3 H 1.593 0.000 . 171 1207 26 LYS HE2 H 2.730 0.000 . 172 1207 26 LYS HE3 H 2.730 0.000 . 173 1207 26 LYS C C 175.021 0.000 . 174 1207 26 LYS CA C 54.609 0.000 . 175 1207 26 LYS CB C 34.580 0.000 . 176 1207 26 LYS CG C 24.710 0.000 . 177 1207 26 LYS CD C 29.330 0.000 . 178 1207 26 LYS CE C 41.520 0.000 . 179 1208 27 ILE H H 9.558 0.000 . 180 1208 27 ILE HA H 4.679 0.000 . 181 1208 27 ILE HB H 1.929 0.000 . 182 1208 27 ILE HG12 H 1.672 0.000 . 183 1208 27 ILE HG13 H 1.026 0.000 . 184 1208 27 ILE HG2 H 0.819 0.000 . 185 1208 27 ILE HD1 H 0.768 0.000 . 186 1208 27 ILE C C 174.446 0.000 . 187 1208 27 ILE CA C 60.619 0.000 . 188 1208 27 ILE CB C 40.670 0.000 . 189 1208 27 ILE CG1 C 28.430 0.000 . 190 1208 27 ILE CG2 C 17.831 0.000 . 191 1208 27 ILE CD1 C 13.861 0.000 . 192 1208 27 ILE N N 128.281 0.000 . 193 1209 28 LYS H H 8.950 0.000 . 194 1209 28 LYS HA H 5.017 0.000 . 195 1209 28 LYS HB2 H 1.925 0.000 . 196 1209 28 LYS HB3 H 1.693 0.000 . 197 1209 28 LYS HG2 H 1.395 0.000 . 198 1209 28 LYS HG3 H 1.358 0.000 . 199 1209 28 LYS HD2 H 1.699 0.000 . 200 1209 28 LYS HD3 H 1.664 0.000 . 201 1209 28 LYS HE2 H 2.966 0.000 . 202 1209 28 LYS HE3 H 2.966 0.000 . 203 1209 28 LYS C C 175.273 0.000 . 204 1209 28 LYS CA C 55.029 0.000 . 205 1209 28 LYS CB C 33.630 0.000 . 206 1209 28 LYS CG C 25.030 0.000 . 207 1209 28 LYS CD C 29.350 0.000 . 208 1209 28 LYS CE C 41.950 0.000 . 209 1209 28 LYS N N 129.224 0.000 . 210 1210 29 LEU H H 8.658 0.000 . 211 1210 29 LEU HA H 4.579 0.000 . 212 1210 29 LEU HB2 H 1.646 0.000 . 213 1210 29 LEU HB3 H 1.505 0.000 . 214 1210 29 LEU HG H 1.585 0.000 . 215 1210 29 LEU HD1 H 0.804 0.000 . 216 1210 29 LEU HD2 H 0.768 0.000 . 217 1210 29 LEU C C 176.701 0.000 . 218 1210 29 LEU CA C 53.629 0.000 . 219 1210 29 LEU CB C 43.300 0.000 . 220 1210 29 LEU CG C 27.120 0.000 . 221 1210 29 LEU CD1 C 25.930 0.000 . 222 1210 29 LEU CD2 C 23.440 0.000 . 223 1210 29 LEU N N 124.103 0.000 . 224 1211 30 ASN H H 8.729 0.000 . 225 1211 30 ASN HA H 4.641 0.000 . 226 1211 30 ASN HB2 H 2.752 0.000 . 227 1211 30 ASN HB3 H 2.752 0.000 . 228 1211 30 ASN HD21 H 7.591 0.000 . 229 1211 30 ASN HD22 H 6.894 0.000 . 230 1211 30 ASN C C 175.412 0.000 . 231 1211 30 ASN CA C 53.499 0.000 . 232 1211 30 ASN CB C 38.970 0.000 . 233 1211 30 ASN N N 120.074 0.000 . 234 1211 30 ASN ND2 N 113.018 0.000 . 235 1212 31 LYS H H 8.343 0.000 . 236 1212 31 LYS HA H 4.368 0.000 . 237 1212 31 LYS HB2 H 1.829 0.000 . 238 1212 31 LYS HB3 H 1.735 0.000 . 239 1212 31 LYS HG2 H 1.403 0.000 . 240 1212 31 LYS HG3 H 1.403 0.000 . 241 1212 31 LYS HD2 H 1.650 0.000 . 242 1212 31 LYS HD3 H 1.650 0.000 . 243 1212 31 LYS HE2 H 2.974 0.000 . 244 1212 31 LYS HE3 H 2.974 0.000 . 245 1212 31 LYS C C 176.573 0.000 . 246 1212 31 LYS CA C 56.429 0.000 . 247 1212 31 LYS CB C 33.030 0.000 . 248 1212 31 LYS CG C 24.800 0.000 . 249 1212 31 LYS CD C 29.040 0.000 . 250 1212 31 LYS CE C 41.890 0.000 . 251 1212 31 LYS N N 122.180 0.000 . 252 1213 32 THR H H 8.218 0.000 . 253 1213 32 THR HA H 4.323 0.000 . 254 1213 32 THR HB H 4.168 0.000 . 255 1213 32 THR HG2 H 1.171 0.000 . 256 1213 32 THR C C 174.569 0.000 . 257 1213 32 THR CA C 62.109 0.000 . 258 1213 32 THR CB C 69.809 0.000 . 259 1213 32 THR CG2 C 21.411 0.000 . 260 1213 32 THR N N 115.355 0.000 . 261 1214 33 THR H H 8.160 0.000 . 262 1214 33 THR HA H 4.333 0.000 . 263 1214 33 THR HB H 4.141 0.000 . 264 1214 33 THR HG2 H 1.155 0.000 . 265 1214 33 THR C C 174.333 0.000 . 266 1214 33 THR CA C 62.109 0.000 . 267 1214 33 THR CB C 70.219 0.000 . 268 1214 33 THR CG2 C 21.301 0.000 . 269 1214 33 THR N N 117.404 0.000 . 270 1215 34 VAL H H 8.122 0.000 . 271 1215 34 VAL HA H 4.060 0.000 . 272 1215 34 VAL HB H 2.037 0.000 . 273 1215 34 VAL HG1 H 0.878 0.000 . 274 1215 34 VAL HG2 H 0.878 0.000 . 275 1215 34 VAL C C 175.828 0.000 . 276 1215 34 VAL CA C 62.469 0.000 . 277 1215 34 VAL CB C 32.650 0.000 . 278 1215 34 VAL CG1 C 20.841 0.000 . 279 1215 34 VAL N N 122.865 0.000 . 280 1216 35 LEU H H 8.228 0.000 . 281 1216 35 LEU HA H 4.341 0.000 . 282 1216 35 LEU HB2 H 1.621 0.000 . 283 1216 35 LEU HB3 H 1.546 0.000 . 284 1216 35 LEU HG H 1.574 0.000 . 285 1216 35 LEU HD1 H 0.878 0.000 . 286 1216 35 LEU HD2 H 0.835 0.000 . 287 1216 35 LEU C C 177.153 0.000 . 288 1216 35 LEU CA C 55.089 0.000 . 289 1216 35 LEU CB C 42.360 0.000 . 290 1216 35 LEU CG C 27.090 0.000 . 291 1216 35 LEU CD1 C 24.970 0.000 . 292 1216 35 LEU CD2 C 23.480 0.000 . 293 1216 35 LEU N N 125.794 0.000 . 294 1217 36 GLU H H 8.289 0.000 . 295 1217 36 GLU HA H 4.241 0.000 . 296 1217 36 GLU HB2 H 1.996 0.000 . 297 1217 36 GLU HB3 H 1.906 0.000 . 298 1217 36 GLU HG2 H 2.218 0.000 . 299 1217 36 GLU HG3 H 2.218 0.000 . 300 1217 36 GLU C C 176.028 0.000 . 301 1217 36 GLU CA C 56.359 0.000 . 302 1217 36 GLU CB C 30.440 0.000 . 303 1217 36 GLU CG C 36.350 0.000 . 304 1217 36 GLU N N 121.587 0.000 . 305 1218 37 ASN H H 8.423 0.000 . 306 1218 37 ASN HA H 4.657 0.000 . 307 1218 37 ASN HB2 H 2.801 0.000 . 308 1218 37 ASN HB3 H 2.752 0.000 . 309 1218 37 ASN HD21 H 7.626 0.000 . 310 1218 37 ASN HD22 H 6.889 0.000 . 311 1218 37 ASN C C 175.037 0.000 . 312 1218 37 ASN CA C 53.189 0.000 . 313 1218 37 ASN CB C 38.910 0.000 . 314 1218 37 ASN N N 119.746 0.000 . 315 1218 37 ASN ND2 N 112.327 0.000 . 316 1219 38 ASN H H 8.478 0.000 . 317 1219 38 ASN HA H 4.706 0.000 . 318 1219 38 ASN HB2 H 2.748 0.000 . 319 1219 38 ASN HB3 H 2.748 0.000 . 320 1219 38 ASN HD21 H 7.684 0.000 . 321 1219 38 ASN HD22 H 6.856 0.000 . 322 1219 38 ASN C C 175.180 0.000 . 323 1219 38 ASN CA C 53.499 0.000 . 324 1219 38 ASN CB C 39.080 0.000 . 325 1219 38 ASN N N 119.895 0.000 . 326 1219 38 ASN ND2 N 113.384 0.000 . 327 1220 39 ASP H H 8.327 0.000 . 328 1220 39 ASP HA H 4.528 0.000 . 329 1220 39 ASP HB2 H 2.679 0.000 . 330 1220 39 ASP HB3 H 2.679 0.000 . 331 1220 39 ASP C C 176.968 0.000 . 332 1220 39 ASP CA C 54.689 0.000 . 333 1220 39 ASP CB C 41.040 0.000 . 334 1220 39 ASP N N 120.609 0.000 . 335 1221 40 GLY H H 8.334 0.000 . 336 1221 40 GLY HA2 H 3.901 0.000 . 337 1221 40 GLY HA3 H 3.901 0.000 . 338 1221 40 GLY C C 174.446 0.000 . 339 1221 40 GLY CA C 45.640 0.000 . 340 1221 40 GLY N N 108.915 0.000 . 341 1222 41 LYS H H 8.001 0.000 . 342 1222 41 LYS HA H 4.251 0.000 . 343 1222 41 LYS HB2 H 1.829 0.000 . 344 1222 41 LYS HB3 H 1.735 0.000 . 345 1222 41 LYS HG2 H 1.367 0.000 . 346 1222 41 LYS HG3 H 1.367 0.000 . 347 1222 41 LYS HD2 H 1.640 0.000 . 348 1222 41 LYS HD3 H 1.640 0.000 . 349 1222 41 LYS HE2 H 2.954 0.000 . 350 1222 41 LYS HE3 H 2.954 0.000 . 351 1222 41 LYS C C 176.716 0.000 . 352 1222 41 LYS CA C 56.409 0.000 . 353 1222 41 LYS CB C 32.970 0.000 . 354 1222 41 LYS CG C 24.740 0.000 . 355 1222 41 LYS CD C 29.040 0.000 . 356 1222 41 LYS CE C 41.830 0.000 . 357 1222 41 LYS N N 120.770 0.000 . 358 1223 42 ARG H H 8.319 0.000 . 359 1223 42 ARG HA H 4.280 0.000 . 360 1223 42 ARG HB2 H 1.839 0.000 . 361 1223 42 ARG HB3 H 1.735 0.000 . 362 1223 42 ARG HG2 H 1.613 0.000 . 363 1223 42 ARG HG3 H 1.613 0.000 . 364 1223 42 ARG HD2 H 3.190 0.000 . 365 1223 42 ARG HD3 H 3.190 0.000 . 366 1223 42 ARG C C 176.203 0.000 . 367 1223 42 ARG CA C 56.069 0.000 . 368 1223 42 ARG CB C 30.870 0.000 . 369 1223 42 ARG CG C 27.680 0.000 . 370 1223 42 ARG CD C 43.320 0.000 . 371 1223 42 ARG N N 122.508 0.000 . 372 1224 43 ALA H H 8.330 0.000 . 373 1224 43 ALA HA H 4.258 0.000 . 374 1224 43 ALA HB H 1.364 0.000 . 375 1224 43 ALA C C 177.667 0.000 . 376 1224 43 ALA CA C 52.629 0.000 . 377 1224 43 ALA CB C 19.171 0.000 . 378 1224 43 ALA N N 125.438 0.000 . 379 1225 44 GLU H H 8.363 0.000 . 380 1225 44 GLU HA H 4.243 0.000 . 381 1225 44 GLU HB2 H 1.994 0.000 . 382 1225 44 GLU HB3 H 1.904 0.000 . 383 1225 44 GLU HG2 H 2.220 0.000 . 384 1225 44 GLU HG3 H 2.220 0.000 . 385 1225 44 GLU C C 176.295 0.000 . 386 1225 44 GLU CA C 56.419 0.000 . 387 1225 44 GLU CB C 30.500 0.000 . 388 1225 44 GLU CG C 36.360 0.000 . 389 1225 44 GLU N N 119.901 0.000 . 390 1226 45 GLU H H 8.322 0.000 . 391 1226 45 GLU HA H 4.251 0.000 . 392 1226 45 GLU HB2 H 1.994 0.000 . 393 1226 45 GLU HB3 H 1.892 0.000 . 394 1226 45 GLU HG2 H 2.220 0.000 . 395 1226 45 GLU HG3 H 2.220 0.000 . 396 1226 45 GLU C C 176.074 0.000 . 397 1226 45 GLU CA C 56.419 0.000 . 398 1226 45 GLU CB C 30.530 0.000 . 399 1226 45 GLU CG C 36.360 0.000 . 400 1226 45 GLU N N 122.399 0.000 . 401 1227 46 LYS H H 8.363 0.000 . 402 1227 46 LYS HA H 4.598 0.000 . 403 1227 46 LYS HB2 H 1.827 0.000 . 404 1227 46 LYS HB3 H 1.705 0.000 . 405 1227 46 LYS HG2 H 1.452 0.000 . 406 1227 46 LYS HG3 H 1.413 0.000 . 407 1227 46 LYS HD2 H 1.662 0.000 . 408 1227 46 LYS HD3 H 1.662 0.000 . 409 1227 46 LYS HE2 H 2.960 0.000 . 410 1227 46 LYS HE3 H 2.960 0.000 . 411 1227 46 LYS CA C 54.109 0.000 . 412 1227 46 LYS CB C 32.410 0.000 . 413 1227 46 LYS CG C 24.530 0.000 . 414 1227 46 LYS CD C 29.100 0.000 . 415 1227 46 LYS CE C 41.780 0.000 . 416 1227 46 LYS N N 123.556 0.000 . 417 1228 47 PRO HA H 4.382 0.000 . 418 1228 47 PRO HB2 H 1.906 0.000 . 419 1228 47 PRO HB3 H 2.277 0.000 . 420 1228 47 PRO HG2 H 2.002 0.000 . 421 1228 47 PRO HG3 H 2.002 0.000 . 422 1228 47 PRO HD2 H 3.650 0.000 . 423 1228 47 PRO HD3 H 3.791 0.000 . 424 1228 47 PRO C C 177.210 0.000 . 425 1228 47 PRO CA C 63.289 0.000 . 426 1228 47 PRO CB C 31.970 0.000 . 427 1228 47 PRO CG C 27.410 0.000 . 428 1228 47 PRO CD C 50.719 0.000 . 429 1229 48 GLU H H 8.679 0.000 . 430 1229 48 GLU HA H 4.249 0.000 . 431 1229 48 GLU HB2 H 2.027 0.000 . 432 1229 48 GLU HB3 H 1.953 0.000 . 433 1229 48 GLU HG2 H 2.285 0.000 . 434 1229 48 GLU HG3 H 2.218 0.000 . 435 1229 48 GLU C C 176.665 0.000 . 436 1229 48 GLU CA C 57.109 0.000 . 437 1229 48 GLU CB C 29.990 0.000 . 438 1229 48 GLU CG C 36.240 0.000 . 439 1229 48 GLU N N 120.914 0.000 . 440 1230 49 SER H H 8.289 0.000 . 441 1230 49 SER HA H 4.396 0.000 . 442 1230 49 SER HB2 H 3.805 0.000 . 443 1230 49 SER HB3 H 3.805 0.000 . 444 1230 49 SER C C 174.471 0.000 . 445 1230 49 SER CA C 58.469 0.000 . 446 1230 49 SER CB C 63.749 0.000 . 447 1230 49 SER N N 117.116 0.000 . 448 1231 50 LYS H H 8.236 0.000 . 449 1231 50 LYS HA H 4.368 0.000 . 450 1231 50 LYS HB2 H 1.829 0.000 . 451 1231 50 LYS HB3 H 1.735 0.000 . 452 1231 50 LYS HG2 H 1.403 0.000 . 453 1231 50 LYS HG3 H 1.403 0.000 . 454 1231 50 LYS HD2 H 1.650 0.000 . 455 1231 50 LYS HD3 H 1.650 0.000 . 456 1231 50 LYS HE2 H 2.974 0.000 . 457 1231 50 LYS HE3 H 2.974 0.000 . 458 1231 50 LYS C C 176.311 0.000 . 459 1231 50 LYS CA C 56.069 0.000 . 460 1231 50 LYS CB C 33.040 0.000 . 461 1231 50 LYS CG C 24.800 0.000 . 462 1231 50 LYS CD C 29.040 0.000 . 463 1231 50 LYS CE C 41.890 0.000 . 464 1231 50 LYS N N 122.917 0.000 . 465 1232 51 SER H H 8.260 0.000 . 466 1232 51 SER HA H 4.702 0.000 . 467 1232 51 SER HB2 H 3.813 0.000 . 468 1232 51 SER HB3 H 3.764 0.000 . 469 1232 51 SER C C 172.673 0.000 . 470 1232 51 SER CA C 56.229 0.000 . 471 1232 51 SER CB C 63.139 0.000 . 472 1232 51 SER N N 118.100 0.000 . 473 1233 52 PRO HA H 4.400 0.000 . 474 1233 52 PRO HB2 H 1.910 0.000 . 475 1233 52 PRO HB3 H 2.281 0.000 . 476 1233 52 PRO HG2 H 2.000 0.000 . 477 1233 52 PRO HG3 H 2.000 0.000 . 478 1233 52 PRO HD2 H 3.671 0.000 . 479 1233 52 PRO HD3 H 3.777 0.000 . 480 1233 52 PRO C C 176.629 0.000 . 481 1233 52 PRO CA C 63.169 0.000 . 482 1233 52 PRO CB C 32.030 0.000 . 483 1233 52 PRO CG C 27.470 0.000 . 484 1233 52 PRO CD C 50.719 0.000 . 485 1234 53 ALA H H 8.273 0.000 . 486 1234 53 ALA HA H 4.241 0.000 . 487 1234 53 ALA HB H 1.352 0.000 . 488 1234 53 ALA C C 177.754 0.000 . 489 1234 53 ALA CA C 52.499 0.000 . 490 1234 53 ALA CB C 18.871 0.000 . 491 1234 53 ALA N N 124.200 0.000 . 492 1235 54 LYS H H 8.202 0.000 . 493 1235 54 LYS HA H 4.266 0.000 . 494 1235 54 LYS HB2 H 1.735 0.000 . 495 1235 54 LYS HB3 H 1.735 0.000 . 496 1235 54 LYS HG2 H 1.403 0.000 . 497 1235 54 LYS HG3 H 1.403 0.000 . 498 1235 54 LYS HD2 H 1.652 0.000 . 499 1235 54 LYS HD3 H 1.652 0.000 . 500 1235 54 LYS HE2 H 2.970 0.000 . 501 1235 54 LYS HE3 H 2.970 0.000 . 502 1235 54 LYS C C 176.562 0.000 . 503 1235 54 LYS CA C 56.219 0.000 . 504 1235 54 LYS CB C 33.150 0.000 . 505 1235 54 LYS CG C 24.740 0.000 . 506 1235 54 LYS CD C 28.980 0.000 . 507 1235 54 LYS CE C 42.000 0.000 . 508 1235 54 LYS N N 120.759 0.000 . 509 1236 55 LYS H H 8.347 0.000 . 510 1236 55 LYS HA H 4.361 0.000 . 511 1236 55 LYS HB2 H 1.829 0.000 . 512 1236 55 LYS HB3 H 1.735 0.000 . 513 1236 55 LYS HG2 H 1.403 0.000 . 514 1236 55 LYS HG3 H 1.403 0.000 . 515 1236 55 LYS HD2 H 1.650 0.000 . 516 1236 55 LYS HD3 H 1.650 0.000 . 517 1236 55 LYS HE2 H 2.974 0.000 . 518 1236 55 LYS HE3 H 2.974 0.000 . 519 1236 55 LYS C C 176.655 0.000 . 520 1236 55 LYS CA C 56.389 0.000 . 521 1236 55 LYS CB C 33.040 0.000 . 522 1236 55 LYS CG C 24.800 0.000 . 523 1236 55 LYS CD C 29.040 0.000 . 524 1236 55 LYS CE C 41.890 0.000 . 525 1236 55 LYS N N 122.939 0.000 . 526 1237 56 THR H H 8.134 0.000 . 527 1237 56 THR HA H 4.288 0.000 . 528 1237 56 THR HB H 4.168 0.000 . 529 1237 56 THR HG2 H 1.181 0.000 . 530 1237 56 THR C C 173.978 0.000 . 531 1237 56 THR CA C 61.659 0.000 . 532 1237 56 THR CB C 69.879 0.000 . 533 1237 56 THR CG2 C 21.241 0.000 . 534 1237 56 THR N N 115.982 0.000 . 535 1238 57 ALA H H 8.277 0.000 . 536 1238 57 ALA HA H 4.290 0.000 . 537 1238 57 ALA HB H 1.352 0.000 . 538 1238 57 ALA C C 177.102 0.000 . 539 1238 57 ALA CA C 52.229 0.000 . 540 1238 57 ALA CB C 19.331 0.000 . 541 1238 57 ALA N N 126.634 0.000 . 542 1239 58 ALA H H 8.164 0.000 . 543 1239 58 ALA HA H 4.235 0.000 . 544 1239 58 ALA HB H 1.297 0.000 . 545 1239 58 ALA C C 177.179 0.000 . 546 1239 58 ALA CA C 52.339 0.000 . 547 1239 58 ALA CB C 19.441 0.000 . 548 1239 58 ALA N N 123.671 0.000 . 549 1240 59 LYS H H 8.115 0.000 . 550 1240 59 LYS HA H 4.209 0.000 . 551 1240 59 LYS HB2 H 1.703 0.000 . 552 1240 59 LYS HB3 H 1.631 0.000 . 553 1240 59 LYS HG2 H 1.305 0.000 . 554 1240 59 LYS HG3 H 1.305 0.000 . 555 1240 59 LYS HD2 H 1.625 0.000 . 556 1240 59 LYS HD3 H 1.625 0.000 . 557 1240 59 LYS HE2 H 2.939 0.000 . 558 1240 59 LYS HE3 H 2.939 0.000 . 559 1240 59 LYS C C 175.042 0.000 . 560 1240 59 LYS CA C 56.089 0.000 . 561 1240 59 LYS CB C 33.390 0.000 . 562 1240 59 LYS CG C 24.680 0.000 . 563 1240 59 LYS CD C 28.930 0.000 . 564 1240 59 LYS CE C 41.890 0.000 . 565 1240 59 LYS N N 120.765 0.000 . stop_ save_