data_30672 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SMARCB1 nucleosome-interacting C-terminal alpha helix ; _BMRB_accession_number 30672 _BMRB_flat_file_name bmr30672.str _Entry_type original _Submission_date 2019-09-16 _Accession_date 2019-09-16 _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 Valencia A. M. . 2 Sun Z. Y.J. . 3 Seo H. S. . 4 Mashtalir N. . . 5 Dhe-Paganon S. . . 6 Kadoch C. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 242 "13C chemical shifts" 172 "15N chemical shifts" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-22 original BMRB . stop_ _Original_release_date 2019-10-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; SMARCB1 nucleosome-interacting C-terminal alpha helix ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Valencia A. M. . 2 Sun Z. Y.J. . 3 Seo H. S. . 4 Mashtalir N. . . 5 Dhe-Paganon S. . . 6 Kadoch C. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 4748.473 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; GPLGSMPLLETLTDAEMEKK IRDQDRNTRRMRRLANTAPA W ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 345 GLY 2 346 PRO 3 347 LEU 4 348 GLY 5 349 SER 6 350 MET 7 351 PRO 8 352 LEU 9 353 LEU 10 354 GLU 11 355 THR 12 356 LEU 13 357 THR 14 358 ASP 15 359 ALA 16 360 GLU 17 361 MET 18 362 GLU 19 363 LYS 20 364 LYS 21 365 ILE 22 366 ARG 23 367 ASP 24 368 GLN 25 369 ASP 26 370 ARG 27 371 ASN 28 372 THR 29 373 ARG 30 374 ARG 31 375 MET 32 376 ARG 33 377 ARG 34 378 LEU 35 379 ALA 36 380 ASN 37 381 THR 38 382 ALA 39 383 PRO 40 384 ALA 41 385 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'SMARCB1, BAF47, INI1, SNF5L1' 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 uM [U-100% 13C; U-100% 15N] SMARCB1CC, 137 mM NaCl, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 300 uM '[U-100% 13C; U-100% 15N]' NaCl 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 1.8 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '230 uM SMARCB1CC, 137 mM NaCl, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 230 uM 'natural abundance' NaCl 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 1.8 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _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_3 _Saveframe_category software _Name hmsIST _Version . loop_ _Vendor _Address _Electronic_address 'Hyberts and Wagner' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . 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 700 _Details 'cryogenic probe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_2 save_ save_2D_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC 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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HN(CA)CO' '3D C(CO)NH' '2D TOCSY' '2D NOESY' '3D 1H-15N NOESY' '3D H(CCO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 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 1 345 1 GLY HA2 H 4.001 0.000 . 2 345 1 GLY HA3 H 4.001 0.000 . 3 345 1 GLY CA C 43.463 0.000 . 4 346 2 PRO HA H 4.490 0.000 . 5 346 2 PRO HB2 H 2.338 0.000 . 6 346 2 PRO HB3 H 1.966 0.000 . 7 346 2 PRO HG2 H 2.033 0.000 . 8 346 2 PRO HG3 H 2.033 0.000 . 9 346 2 PRO HD2 H 3.592 0.000 . 10 346 2 PRO HD3 H 3.592 0.000 . 11 346 2 PRO C C 177.208 0.000 . 12 346 2 PRO CA C 63.138 0.000 . 13 346 2 PRO CB C 32.450 0.000 . 14 346 2 PRO CG C 27.234 0.000 . 15 346 2 PRO CD C 49.741 0.000 . 16 347 3 LEU H H 8.642 0.000 . 17 347 3 LEU HA H 4.361 0.000 . 18 347 3 LEU HB2 H 1.696 0.000 . 19 347 3 LEU HB3 H 1.627 0.000 . 20 347 3 LEU HD1 H 0.929 0.000 . 21 347 3 LEU HD2 H 0.879 0.000 . 22 347 3 LEU C C 178.125 0.000 . 23 347 3 LEU CA C 55.592 0.000 . 24 347 3 LEU CB C 42.332 0.000 . 25 347 3 LEU CD1 C 25.426 0.000 . 26 347 3 LEU CD2 C 23.357 0.000 . 27 347 3 LEU N N 122.886 0.000 . 28 348 4 GLY H H 8.519 0.000 . 29 348 4 GLY HA2 H 3.991 0.000 . 30 348 4 GLY HA3 H 3.991 0.000 . 31 348 4 GLY C C 174.137 0.000 . 32 348 4 GLY CA C 45.280 0.000 . 33 348 4 GLY N N 110.271 0.000 . 34 349 5 SER H H 8.221 0.000 . 35 349 5 SER HA H 4.464 0.000 . 36 349 5 SER HB2 H 3.855 0.000 . 37 349 5 SER HB3 H 3.855 0.000 . 38 349 5 SER C C 174.353 0.000 . 39 349 5 SER CA C 58.284 0.000 . 40 349 5 SER CB C 64.017 0.000 . 41 349 5 SER N N 115.543 0.000 . 42 350 6 MET H H 8.439 0.000 . 43 350 6 MET HA H 4.838 0.000 . 44 350 6 MET HB2 H 2.102 0.000 . 45 350 6 MET HB3 H 1.983 0.000 . 46 350 6 MET HG2 H 2.660 0.000 . 47 350 6 MET HG3 H 2.579 0.000 . 48 350 6 MET C C 174.236 0.000 . 49 350 6 MET CA C 53.479 0.000 . 50 350 6 MET CB C 32.336 0.000 . 51 350 6 MET CG C 32.164 0.000 . 52 350 6 MET N N 123.465 0.000 . 53 351 7 PRO HA H 4.406 0.000 . 54 351 7 PRO HB2 H 2.293 0.000 . 55 351 7 PRO HB3 H 1.869 0.000 . 56 351 7 PRO HG2 H 2.023 0.000 . 57 351 7 PRO HG3 H 2.023 0.000 . 58 351 7 PRO HD2 H 3.845 0.000 . 59 351 7 PRO HD3 H 3.700 0.000 . 60 351 7 PRO C C 176.698 0.000 . 61 351 7 PRO CA C 63.142 0.000 . 62 351 7 PRO CB C 32.170 0.000 . 63 351 7 PRO CG C 27.435 0.000 . 64 351 7 PRO CD C 50.737 0.000 . 65 352 8 LEU H H 8.432 0.000 . 66 352 8 LEU HA H 4.321 0.000 . 67 352 8 LEU HB2 H 1.651 0.000 . 68 352 8 LEU HB3 H 1.589 0.000 . 69 352 8 LEU HD1 H 0.943 0.000 . 70 352 8 LEU HD2 H 0.896 0.000 . 71 352 8 LEU C C 177.466 0.000 . 72 352 8 LEU CA C 55.247 0.000 . 73 352 8 LEU CB C 42.324 0.000 . 74 352 8 LEU CD1 C 25.085 0.000 . 75 352 8 LEU CD2 C 23.734 0.000 . 76 352 8 LEU N N 122.707 0.000 . 77 353 9 LEU H H 8.324 0.000 . 78 353 9 LEU HA H 4.372 0.000 . 79 353 9 LEU HB2 H 1.647 0.000 . 80 353 9 LEU HB3 H 1.602 0.000 . 81 353 9 LEU HD1 H 0.935 0.000 . 82 353 9 LEU HD2 H 0.878 0.000 . 83 353 9 LEU C C 177.358 0.000 . 84 353 9 LEU CA C 55.248 0.000 . 85 353 9 LEU CB C 42.372 0.000 . 86 353 9 LEU CD1 C 24.938 0.000 . 87 353 9 LEU CD2 C 23.635 0.000 . 88 353 9 LEU N N 123.788 0.000 . 89 354 10 GLU H H 8.487 0.000 . 90 354 10 GLU HA H 4.347 0.000 . 91 354 10 GLU HB2 H 2.055 0.000 . 92 354 10 GLU HB3 H 1.946 0.000 . 93 354 10 GLU HG2 H 2.271 0.000 . 94 354 10 GLU HG3 H 2.227 0.000 . 95 354 10 GLU C C 176.478 0.000 . 96 354 10 GLU CA C 56.640 0.000 . 97 354 10 GLU CB C 30.505 0.000 . 98 354 10 GLU CG C 36.364 0.000 . 99 354 10 GLU N N 121.996 0.000 . 100 355 11 THR H H 8.296 0.000 . 101 355 11 THR HA H 4.337 0.000 . 102 355 11 THR HB H 4.192 0.000 . 103 355 11 THR HG2 H 1.211 0.000 . 104 355 11 THR C C 174.480 0.000 . 105 355 11 THR CA C 61.930 0.000 . 106 355 11 THR CB C 69.927 0.000 . 107 355 11 THR CG2 C 21.768 0.000 . 108 355 11 THR N N 116.173 0.000 . 109 356 12 LEU H H 8.378 0.000 . 110 356 12 LEU HA H 4.555 0.000 . 111 356 12 LEU HB2 H 1.698 0.000 . 112 356 12 LEU HB3 H 1.617 0.000 . 113 356 12 LEU HG H 1.621 0.000 . 114 356 12 LEU HD1 H 0.923 0.000 . 115 356 12 LEU HD2 H 0.867 0.000 . 116 356 12 LEU C C 177.853 0.000 . 117 356 12 LEU CA C 55.074 0.000 . 118 356 12 LEU CB C 42.338 0.000 . 119 356 12 LEU CD1 C 25.490 0.000 . 120 356 12 LEU CD2 C 23.509 0.000 . 121 356 12 LEU N N 125.417 0.000 . 122 357 13 THR H H 8.514 0.000 . 123 357 13 THR HA H 4.374 0.000 . 124 357 13 THR HB H 4.454 0.000 . 125 357 13 THR HG2 H 1.288 0.000 . 126 357 13 THR C C 174.974 0.000 . 127 357 13 THR CA C 61.701 0.000 . 128 357 13 THR CB C 70.535 0.000 . 129 357 13 THR CG2 C 21.816 0.000 . 130 357 13 THR N N 114.443 0.000 . 131 358 14 ASP H H 8.658 0.000 . 132 358 14 ASP HA H 4.497 0.000 . 133 358 14 ASP HB2 H 2.763 0.000 . 134 358 14 ASP HB3 H 2.682 0.000 . 135 358 14 ASP C C 177.775 0.000 . 136 358 14 ASP CA C 56.201 0.000 . 137 358 14 ASP CB C 40.536 0.000 . 138 358 14 ASP N N 122.390 0.000 . 139 359 15 ALA H H 8.486 0.000 . 140 359 15 ALA HA H 4.199 0.000 . 141 359 15 ALA HB H 1.444 0.000 . 142 359 15 ALA C C 180.389 0.000 . 143 359 15 ALA CA C 54.621 0.000 . 144 359 15 ALA CB C 18.709 0.000 . 145 359 15 ALA N N 123.214 0.000 . 146 360 16 GLU H H 8.078 0.000 . 147 360 16 GLU HA H 4.098 0.000 . 148 360 16 GLU HB2 H 2.206 0.000 . 149 360 16 GLU HB3 H 2.063 0.000 . 150 360 16 GLU HG2 H 2.360 0.000 . 151 360 16 GLU HG3 H 2.280 0.000 . 152 360 16 GLU C C 179.078 0.000 . 153 360 16 GLU CA C 58.476 0.000 . 154 360 16 GLU CB C 30.061 0.000 . 155 360 16 GLU CG C 36.846 0.000 . 156 360 16 GLU N N 119.079 0.000 . 157 361 17 MET H H 8.412 0.000 . 158 361 17 MET HA H 4.281 0.000 . 159 361 17 MET HB2 H 2.179 0.000 . 160 361 17 MET HB3 H 2.179 0.000 . 161 361 17 MET HG2 H 2.662 0.000 . 162 361 17 MET HG3 H 2.607 0.000 . 163 361 17 MET C C 177.901 0.000 . 164 361 17 MET CA C 57.594 0.000 . 165 361 17 MET CB C 32.163 0.000 . 166 361 17 MET CG C 32.239 0.000 . 167 361 17 MET N N 120.914 0.000 . 168 362 18 GLU H H 8.255 0.000 . 169 362 18 GLU HA H 4.054 0.000 . 170 362 18 GLU HB2 H 2.072 0.000 . 171 362 18 GLU HB3 H 2.072 0.000 . 172 362 18 GLU HG2 H 2.378 0.000 . 173 362 18 GLU HG3 H 2.261 0.000 . 174 362 18 GLU C C 178.404 0.000 . 175 362 18 GLU CA C 58.852 0.000 . 176 362 18 GLU CB C 29.567 0.000 . 177 362 18 GLU CG C 36.294 0.000 . 178 362 18 GLU N N 119.694 0.000 . 179 363 19 LYS H H 7.792 0.000 . 180 363 19 LYS HA H 4.038 0.000 . 181 363 19 LYS HB2 H 1.925 0.000 . 182 363 19 LYS HB3 H 1.875 0.000 . 183 363 19 LYS HG2 H 1.531 0.000 . 184 363 19 LYS HG3 H 1.438 0.000 . 185 363 19 LYS HD2 H 1.704 0.000 . 186 363 19 LYS HD3 H 1.704 0.000 . 187 363 19 LYS HE2 H 2.997 0.000 . 188 363 19 LYS HE3 H 2.997 0.000 . 189 363 19 LYS C C 177.574 0.000 . 190 363 19 LYS CA C 58.786 0.000 . 191 363 19 LYS CB C 32.710 0.000 . 192 363 19 LYS CG C 25.223 0.000 . 193 363 19 LYS CD C 29.261 0.000 . 194 363 19 LYS CE C 42.240 0.000 . 195 363 19 LYS N N 119.893 0.000 . 196 364 20 LYS H H 7.915 0.000 . 197 364 20 LYS HA H 4.171 0.000 . 198 364 20 LYS HB2 H 1.924 0.000 . 199 364 20 LYS HB3 H 1.924 0.000 . 200 364 20 LYS HG2 H 1.568 0.000 . 201 364 20 LYS HG3 H 1.418 0.000 . 202 364 20 LYS HD2 H 1.701 0.000 . 203 364 20 LYS HD3 H 1.701 0.000 . 204 364 20 LYS HE2 H 2.982 0.000 . 205 364 20 LYS HE3 H 2.982 0.000 . 206 364 20 LYS C C 178.768 0.000 . 207 364 20 LYS CA C 58.629 0.000 . 208 364 20 LYS CB C 32.710 0.000 . 209 364 20 LYS CG C 25.117 0.000 . 210 364 20 LYS CD C 29.406 0.000 . 211 364 20 LYS CE C 42.216 0.000 . 212 364 20 LYS N N 119.885 0.000 . 213 365 21 ILE H H 8.051 0.000 . 214 365 21 ILE HA H 3.893 0.000 . 215 365 21 ILE HB H 1.929 0.000 . 216 365 21 ILE HG12 H 1.627 0.000 . 217 365 21 ILE HG13 H 1.227 0.000 . 218 365 21 ILE HG2 H 0.930 0.000 . 219 365 21 ILE HD1 H 0.854 0.000 . 220 365 21 ILE C C 178.032 0.000 . 221 365 21 ILE CA C 63.426 0.000 . 222 365 21 ILE CB C 38.238 0.000 . 223 365 21 ILE CG1 C 28.411 0.000 . 224 365 21 ILE CG2 C 17.418 0.000 . 225 365 21 ILE CD1 C 12.952 0.000 . 226 365 21 ILE N N 120.312 0.000 . 227 366 22 ARG H H 8.221 0.000 . 228 366 22 ARG HA H 4.222 0.000 . 229 366 22 ARG HB2 H 1.933 0.000 . 230 366 22 ARG HB3 H 1.933 0.000 . 231 366 22 ARG HG2 H 1.794 0.000 . 232 366 22 ARG HG3 H 1.656 0.000 . 233 366 22 ARG HD2 H 3.232 0.000 . 234 366 22 ARG HD3 H 3.232 0.000 . 235 366 22 ARG C C 178.461 0.000 . 236 366 22 ARG CA C 58.333 0.000 . 237 366 22 ARG CB C 30.473 0.000 . 238 366 22 ARG CG C 27.449 0.000 . 239 366 22 ARG CD C 43.655 0.000 . 240 366 22 ARG N N 122.371 0.000 . 241 367 23 ASP H H 8.529 0.000 . 242 367 23 ASP HA H 4.494 0.000 . 243 367 23 ASP HB2 H 2.757 0.000 . 244 367 23 ASP HB3 H 2.721 0.000 . 245 367 23 ASP C C 177.868 0.000 . 246 367 23 ASP CA C 56.296 0.000 . 247 367 23 ASP CB C 40.576 0.000 . 248 367 23 ASP N N 120.582 0.000 . 249 368 24 GLN H H 8.206 0.000 . 250 368 24 GLN HA H 4.218 0.000 . 251 368 24 GLN HB2 H 2.176 0.000 . 252 368 24 GLN HB3 H 2.176 0.000 . 253 368 24 GLN HG2 H 2.496 0.000 . 254 368 24 GLN HG3 H 2.438 0.000 . 255 368 24 GLN HE21 H 7.614 0.000 . 256 368 24 GLN HE22 H 6.947 0.000 . 257 368 24 GLN C C 177.409 0.000 . 258 368 24 GLN CA C 57.769 0.000 . 259 368 24 GLN CB C 28.827 0.000 . 260 368 24 GLN CG C 33.904 0.000 . 261 368 24 GLN N N 119.977 0.000 . 262 368 24 GLN NE2 N 112.295 0.000 . 263 369 25 ASP H H 8.306 0.000 . 264 369 25 ASP HA H 4.554 0.000 . 265 369 25 ASP HB2 H 2.789 0.000 . 266 369 25 ASP HB3 H 2.789 0.000 . 267 369 25 ASP C C 177.506 0.000 . 268 369 25 ASP CA C 55.923 0.000 . 269 369 25 ASP CB C 41.109 0.000 . 270 369 25 ASP N N 120.851 0.000 . 271 370 26 ARG H H 8.210 0.000 . 272 370 26 ARG HA H 4.123 0.000 . 273 370 26 ARG HB2 H 1.926 0.000 . 274 370 26 ARG HB3 H 1.926 0.000 . 275 370 26 ARG HG2 H 1.757 0.000 . 276 370 26 ARG HG3 H 1.632 0.000 . 277 370 26 ARG HD2 H 3.237 0.000 . 278 370 26 ARG HD3 H 3.237 0.000 . 279 370 26 ARG C C 177.884 0.000 . 280 370 26 ARG CA C 58.311 0.000 . 281 370 26 ARG CB C 30.276 0.000 . 282 370 26 ARG CG C 27.521 0.000 . 283 370 26 ARG CD C 43.257 0.000 . 284 370 26 ARG N N 120.735 0.000 . 285 371 27 ASN H H 8.407 0.000 . 286 371 27 ASN HA H 4.659 0.000 . 287 371 27 ASN HB2 H 2.904 0.000 . 288 371 27 ASN HB3 H 2.904 0.000 . 289 371 27 ASN HD21 H 7.781 0.000 . 290 371 27 ASN HD22 H 7.042 0.000 . 291 371 27 ASN C C 176.658 0.000 . 292 371 27 ASN CA C 54.931 0.000 . 293 371 27 ASN CB C 38.719 0.000 . 294 371 27 ASN N N 118.463 0.000 . 295 371 27 ASN ND2 N 113.940 0.000 . 296 372 28 THR H H 8.276 0.000 . 297 372 28 THR HA H 4.159 0.000 . 298 372 28 THR HB H 4.334 0.000 . 299 372 28 THR HG2 H 1.253 0.000 . 300 372 28 THR C C 175.742 0.000 . 301 372 28 THR CA C 64.289 0.000 . 302 372 28 THR CB C 69.317 0.000 . 303 372 28 THR CG2 C 21.859 0.000 . 304 372 28 THR N N 115.715 0.000 . 305 373 29 ARG H H 8.239 0.000 . 306 373 29 ARG HA H 4.167 0.000 . 307 373 29 ARG HB2 H 1.879 0.000 . 308 373 29 ARG HB3 H 1.879 0.000 . 309 373 29 ARG HG2 H 1.745 0.000 . 310 373 29 ARG HG3 H 1.618 0.000 . 311 373 29 ARG HD2 H 3.225 0.000 . 312 373 29 ARG HD3 H 3.185 0.000 . 313 373 29 ARG C C 177.488 0.000 . 314 373 29 ARG CA C 58.045 0.000 . 315 373 29 ARG CB C 30.344 0.000 . 316 373 29 ARG CG C 27.591 0.000 . 317 373 29 ARG CD C 43.597 0.000 . 318 373 29 ARG N N 122.255 0.000 . 319 374 30 ARG H H 8.150 0.000 . 320 374 30 ARG HA H 4.214 0.000 . 321 374 30 ARG HB2 H 1.922 0.000 . 322 374 30 ARG HB3 H 1.872 0.000 . 323 374 30 ARG HG2 H 1.694 0.000 . 324 374 30 ARG HG3 H 1.604 0.000 . 325 374 30 ARG HD2 H 3.217 0.000 . 326 374 30 ARG HD3 H 3.217 0.000 . 327 374 30 ARG C C 177.247 0.000 . 328 374 30 ARG CA C 57.582 0.000 . 329 374 30 ARG CB C 30.543 0.000 . 330 374 30 ARG CG C 27.412 0.000 . 331 374 30 ARG CD C 43.485 0.000 . 332 374 30 ARG N N 120.890 0.000 . 333 375 31 MET H H 8.247 0.000 . 334 375 31 MET HA H 4.376 0.000 . 335 375 31 MET HB2 H 2.118 0.000 . 336 375 31 MET HB3 H 2.118 0.000 . 337 375 31 MET HG2 H 2.681 0.000 . 338 375 31 MET HG3 H 2.573 0.000 . 339 375 31 MET C C 177.233 0.000 . 340 375 31 MET CA C 56.458 0.000 . 341 375 31 MET CB C 32.483 0.000 . 342 375 31 MET CG C 32.062 0.000 . 343 375 31 MET N N 119.928 0.000 . 344 376 32 ARG H H 8.231 0.000 . 345 376 32 ARG HA H 4.268 0.000 . 346 376 32 ARG HB2 H 1.877 0.000 . 347 376 32 ARG HB3 H 1.831 0.000 . 348 376 32 ARG HG2 H 1.726 0.000 . 349 376 32 ARG HG3 H 1.647 0.000 . 350 376 32 ARG HD2 H 3.193 0.000 . 351 376 32 ARG HD3 H 3.193 0.000 . 352 376 32 ARG C C 176.767 0.000 . 353 376 32 ARG CA C 57.046 0.000 . 354 376 32 ARG CB C 30.668 0.000 . 355 376 32 ARG CG C 27.359 0.000 . 356 376 32 ARG CD C 43.535 0.000 . 357 376 32 ARG N N 121.603 0.000 . 358 377 33 ARG H H 8.231 0.000 . 359 377 33 ARG HA H 4.288 0.000 . 360 377 33 ARG HB2 H 1.890 0.000 . 361 377 33 ARG HB3 H 1.820 0.000 . 362 377 33 ARG HG2 H 1.695 0.000 . 363 377 33 ARG HG3 H 1.618 0.000 . 364 377 33 ARG HD2 H 3.220 0.000 . 365 377 33 ARG HD3 H 3.220 0.000 . 366 377 33 ARG C C 176.950 0.000 . 367 377 33 ARG CA C 56.864 0.000 . 368 377 33 ARG CB C 30.589 0.000 . 369 377 33 ARG CG C 27.329 0.000 . 370 377 33 ARG CD C 43.435 0.000 . 371 377 33 ARG N N 121.713 0.000 . 372 378 34 LEU H H 8.258 0.000 . 373 378 34 LEU HA H 4.315 0.000 . 374 378 34 LEU HB2 H 1.707 0.000 . 375 378 34 LEU HB3 H 1.707 0.000 . 376 378 34 LEU HD1 H 0.939 0.000 . 377 378 34 LEU HD2 H 0.887 0.000 . 378 378 34 LEU C C 177.518 0.000 . 379 378 34 LEU CA C 55.455 0.000 . 380 378 34 LEU CD1 C 24.972 0.000 . 381 378 34 LEU CD2 C 23.542 0.000 . 382 378 34 LEU N N 122.838 0.000 . 383 379 35 ALA H H 8.206 0.000 . 384 379 35 ALA HA H 4.283 0.000 . 385 379 35 ALA HB H 1.418 0.000 . 386 379 35 ALA C C 177.646 0.000 . 387 379 35 ALA CA C 52.797 0.000 . 388 379 35 ALA CB C 19.231 0.000 . 389 379 35 ALA N N 123.819 0.000 . 390 380 36 ASN H H 8.364 0.000 . 391 380 36 ASN HA H 4.723 0.000 . 392 380 36 ASN HB2 H 2.881 0.000 . 393 380 36 ASN HB3 H 2.801 0.000 . 394 380 36 ASN HD21 H 7.669 0.000 . 395 380 36 ASN HD22 H 6.961 0.000 . 396 380 36 ASN C C 175.400 0.000 . 397 380 36 ASN CA C 53.410 0.000 . 398 380 36 ASN CB C 38.752 0.000 . 399 380 36 ASN N N 117.439 0.000 . 400 380 36 ASN ND2 N 112.990 0.000 . 401 381 37 THR H H 8.032 0.000 . 402 381 37 THR HA H 4.314 0.000 . 403 381 37 THR HB H 4.227 0.000 . 404 381 37 THR HG2 H 1.206 0.000 . 405 381 37 THR C C 173.998 0.000 . 406 381 37 THR CA C 61.737 0.000 . 407 381 37 THR CB C 69.980 0.000 . 408 381 37 THR CG2 C 21.703 0.000 . 409 381 37 THR N N 113.875 0.000 . 410 382 38 ALA H H 8.322 0.000 . 411 382 38 ALA HA H 4.577 0.000 . 412 382 38 ALA HB H 1.353 0.000 . 413 382 38 ALA C C 175.315 0.000 . 414 382 38 ALA CA C 50.662 0.000 . 415 382 38 ALA CB C 18.199 0.000 . 416 382 38 ALA N N 128.108 0.000 . 417 383 39 PRO HA H 4.265 0.000 . 418 383 39 PRO HB2 H 2.066 0.000 . 419 383 39 PRO HB3 H 1.637 0.000 . 420 383 39 PRO HG2 H 1.940 0.000 . 421 383 39 PRO HG3 H 1.940 0.000 . 422 383 39 PRO HD2 H 3.771 0.000 . 423 383 39 PRO HD3 H 3.588 0.000 . 424 383 39 PRO C C 176.368 0.000 . 425 383 39 PRO CA C 62.970 0.000 . 426 383 39 PRO CB C 32.016 0.000 . 427 383 39 PRO CG C 27.460 0.000 . 428 383 39 PRO CD C 50.442 0.000 . 429 384 40 ALA H H 8.237 0.000 . 430 384 40 ALA HA H 4.254 0.000 . 431 384 40 ALA HB H 1.287 0.000 . 432 384 40 ALA C C 176.343 0.000 . 433 384 40 ALA CA C 52.244 0.000 . 434 384 40 ALA CB C 19.322 0.000 . 435 384 40 ALA N N 124.756 0.000 . 436 385 41 TRP H H 7.554 0.000 . 437 385 41 TRP HA H 4.493 0.000 . 438 385 41 TRP HB2 H 3.343 0.000 . 439 385 41 TRP HB3 H 3.190 0.000 . 440 385 41 TRP HD1 H 7.199 0.000 . 441 385 41 TRP HE1 H 10.098 0.000 . 442 385 41 TRP HE3 H 7.660 0.000 . 443 385 41 TRP HZ2 H 7.486 0.000 . 444 385 41 TRP HZ3 H 7.144 0.000 . 445 385 41 TRP HH2 H 7.224 0.000 . 446 385 41 TRP C C 180.877 0.000 . 447 385 41 TRP CA C 58.366 0.000 . 448 385 41 TRP CB C 30.009 0.000 . 449 385 41 TRP CD1 C 127.099 0.000 . 450 385 41 TRP CE3 C 121.528 0.000 . 451 385 41 TRP CZ2 C 114.508 0.000 . 452 385 41 TRP CZ3 C 121.692 0.000 . 453 385 41 TRP CH2 C 124.500 0.000 . 454 385 41 TRP N N 124.816 0.000 . 455 385 41 TRP NE1 N 128.853 0.000 . stop_ save_