data_27271 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9) ; _BMRB_accession_number 27271 _BMRB_flat_file_name bmr27271.str _Entry_type original _Submission_date 2017-10-03 _Accession_date 2017-10-03 _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 Schmidt Charles R. . 2 Kuntimaddi Aravinda . . 3 Leach Benjamin I. . 4 Bushweller John H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 567 "13C chemical shifts" 448 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-01 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18094 'AF4-AF9 complex' 19516 'Dot1L in complex with AF9 (Dot1L-AF9)' 25677 'CBX8 in complex with AF9 (CBX8-AF9)' stop_ _Original_release_date 2017-10-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Direct Recruitment of BCoR, but not CBX8, is Required for MLL-AF9 Leukemia ; _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 Schmidt Charles R. . 2 Achille Nicholas J. . 3 Kuntimaddi Aravinda . . 4 Boulton Adam M. . 5 Leach Benjamin I. . 6 Zeleznik-Le Nancy J. . 7 Bushweller John H. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _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 BCoR-AF9 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AF9 $AF9 BCoR $BCoR 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_AF9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AF9 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; MDKAYLDELVELHRRLMTLR ERHILQQIVNLIEETGHFHI TNTTFDFDLCSLDKTTVRKL QSYLETSGTS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 499 MET 2 500 ASP 3 501 LYS 4 502 ALA 5 503 TYR 6 504 LEU 7 505 ASP 8 506 GLU 9 507 LEU 10 508 VAL 11 509 GLU 12 510 LEU 13 511 HIS 14 512 ARG 15 513 ARG 16 514 LEU 17 515 MET 18 516 THR 19 517 LEU 20 518 ARG 21 519 GLU 22 520 ARG 23 521 HIS 24 522 ILE 25 523 LEU 26 524 GLN 27 525 GLN 28 526 ILE 29 527 VAL 30 528 ASN 31 529 LEU 32 530 ILE 33 531 GLU 34 532 GLU 35 533 THR 36 534 GLY 37 535 HIS 38 536 PHE 39 537 HIS 40 538 ILE 41 539 THR 42 540 ASN 43 541 THR 44 542 THR 45 543 PHE 46 544 ASP 47 545 PHE 48 546 ASP 49 547 LEU 50 548 CYS 51 549 SER 52 550 LEU 53 551 ASP 54 552 LYS 55 553 THR 56 554 THR 57 555 VAL 58 556 ARG 59 557 LYS 60 558 LEU 61 559 GLN 62 560 SER 63 561 TYR 64 562 LEU 65 563 GLU 66 564 THR 67 565 SER 68 566 GLY 69 567 THR 70 568 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI P42568 AF9 . . . . . stop_ save_ save_BCoR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BCoR _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 34 _Mol_residue_sequence ; GTTNSSSNHLEDPHYSELTN LKVCIELTGLHPKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1174 GLY 2 1175 THR 3 1176 THR 4 1177 ASN 5 1178 SER 6 1179 SER 7 1180 SER 8 1181 ASN 9 1182 HIS 10 1183 LEU 11 1184 GLU 12 1185 ASP 13 1186 PRO 14 1187 HIS 15 1188 TYR 16 1189 SER 17 1190 GLU 18 1191 LEU 19 1192 THR 20 1193 ASN 21 1194 LEU 22 1195 LYS 23 1196 VAL 24 1197 CYS 25 1198 ILE 26 1199 GLU 27 1200 LEU 28 1201 THR 29 1202 GLY 30 1203 LEU 31 1204 HIS 32 1205 PRO 33 1206 LYS 34 1207 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI Q6W2J9 BCoR . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AF9 Human 9606 Eukaryota Metazoa Homo sapiens $BCoR Human 9606 Eukaryota Metazoa Homo sapiens 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 $AF9 'recombinant technology' . Escherichia coli . 'pET Duet' $BCoR 'recombinant technology' . Escherichia coli . 'pET Duet' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_BCoR-AF9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AF9 750 uM '[U-100% 13C; U-100% 15N]' $BCoR 750 uM '[U-100% 13C; U-100% 15N]' Bis-Tris 9.3 mM 'natural abundance' MES 15.8 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % [U-2H] H2O 95 % 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PyMOL _Saveframe_category software _Name PyMOL _Version . loop_ _Vendor _Address _Electronic_address 'Schr dinger' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 $BCoR-AF9 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $BCoR-AF9 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $BCoR-AF9 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $BCoR-AF9 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $BCoR-AF9 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $BCoR-AF9 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $BCoR-AF9 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $BCoR-AF9 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $BCoR-AF9 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $BCoR-AF9 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $BCoR-AF9 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 'liquid anhydrous ammonia' N 15 'methyl protons' ppm 0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNHA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $BCoR-AF9 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AF9 _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 1 500 2 ASP HA H 4.627 0.004 1 2 500 2 ASP HB2 H 2.734 0.029 2 3 500 2 ASP HB3 H 2.702 0.022 2 4 500 2 ASP C C 173.26 0.000 1 5 500 2 ASP CA C 51.205 0.075 1 6 500 2 ASP CB C 39.238 0.074 1 7 501 3 LYS H H 8.619 0.013 1 8 501 3 LYS HA H 3.89 0.014 1 9 501 3 LYS HB2 H 1.754 0.028 2 10 501 3 LYS HB3 H 1.804 0.008 2 11 501 3 LYS HG2 H 1.407 0.009 2 12 501 3 LYS HG3 H 1.409 0.017 2 13 501 3 LYS C C 174.402 0.000 1 14 501 3 LYS CA C 56.566 0.078 1 15 501 3 LYS CB C 29.987 0.132 1 16 501 3 LYS CG C 22.268 0.027 1 17 501 3 LYS CD C 26.078 0.000 1 18 501 3 LYS N N 125.466 0.127 1 19 502 4 ALA H H 8.259 0.023 1 20 502 4 ALA HA H 4.163 0.004 1 21 502 4 ALA HB H 1.435 0.008 1 22 502 4 ALA C C 177.803 0.000 1 23 502 4 ALA CA C 52.237 0.064 1 24 502 4 ALA CB C 15.393 0.073 1 25 502 4 ALA N N 119.991 0.141 1 26 503 5 TYR H H 7.687 0.012 1 27 503 5 TYR HA H 4.485 0.016 1 28 503 5 TYR HB2 H 3.186 0.014 2 29 503 5 TYR HB3 H 2.86 0.029 2 30 503 5 TYR HD1 H 7.128 0.004 3 31 503 5 TYR HD2 H 7.128 0.004 3 32 503 5 TYR HE1 H 6.698 0.003 3 33 503 5 TYR HE2 H 6.698 0.003 3 34 503 5 TYR C C 174.551 0.000 1 35 503 5 TYR CA C 57.556 0.050 1 36 503 5 TYR CB C 36.036 0.082 1 37 503 5 TYR CD1 C 130.611 0.031 3 38 503 5 TYR CD2 C 130.611 0.031 3 39 503 5 TYR CE1 C 115.674 0.019 3 40 503 5 TYR CE2 C 115.674 0.019 3 41 503 5 TYR N N 119.962 0.108 1 42 504 6 LEU H H 8.068 0.016 1 43 504 6 LEU HA H 3.793 0.019 1 44 504 6 LEU HB2 H 1.764 0.013 2 45 504 6 LEU HB3 H 1.508 0.023 2 46 504 6 LEU HG H 1.558 0.016 1 47 504 6 LEU HD1 H 0.807 0.016 2 48 504 6 LEU HD2 H 0.808 0.016 2 49 504 6 LEU C C 175.961 0.000 1 50 504 6 LEU CA C 55.864 0.065 1 51 504 6 LEU CB C 38.436 0.130 1 52 504 6 LEU CG C 24.367 0.262 1 53 504 6 LEU CD1 C 22.49 0.046 2 54 504 6 LEU CD2 C 21.268 0.055 2 55 504 6 LEU N N 120.215 0.067 1 56 505 7 ASP H H 8.311 0.014 1 57 505 7 ASP HA H 4.241 0.016 1 58 505 7 ASP HB2 H 2.766 0.008 2 59 505 7 ASP HB3 H 2.531 0.013 2 60 505 7 ASP C C 177.179 0.000 1 61 505 7 ASP CA C 54.94 0.096 1 62 505 7 ASP CB C 37.096 0.048 1 63 505 7 ASP N N 117.572 0.196 1 64 506 8 GLU H H 7.567 0.014 1 65 506 8 GLU HA H 3.975 0.013 1 66 506 8 GLU HB2 H 2.208 0.020 2 67 506 8 GLU HB3 H 1.959 0.020 2 68 506 8 GLU HG2 H 2.46 0.014 2 69 506 8 GLU HG3 H 1.988 0.011 2 70 506 8 GLU C C 177.242 0.000 1 71 506 8 GLU CA C 57.27 0.100 1 72 506 8 GLU CB C 26.901 0.107 1 73 506 8 GLU CG C 34.004 0.087 1 74 506 8 GLU N N 121.056 0.099 1 75 507 9 LEU H H 8.19 0.013 1 76 507 9 LEU HA H 3.826 0.010 1 77 507 9 LEU HB2 H 1.091 0.039 2 78 507 9 LEU HB3 H 1.894 0.021 2 79 507 9 LEU HG H 1.186 0.019 1 80 507 9 LEU HD1 H 0.538 0.016 1 81 507 9 LEU HD2 H 0.549 0.011 1 82 507 9 LEU C C 176.194 0.000 1 83 507 9 LEU CA C 55.245 0.065 1 84 507 9 LEU CB C 39.188 0.077 1 85 507 9 LEU CG C 23.066 0.048 1 86 507 9 LEU CD1 C 23.717 0.093 1 87 507 9 LEU CD2 C 20.336 0.068 1 88 507 9 LEU N N 121.349 0.101 1 89 508 10 VAL H H 8.62 0.013 1 90 508 10 VAL HA H 3.427 0.007 1 91 508 10 VAL HB H 2.09 0.015 1 92 508 10 VAL HG1 H 0.874 0.040 1 93 508 10 VAL HG2 H 0.948 0.027 1 94 508 10 VAL C C 176.262 0.000 1 95 508 10 VAL CA C 64.424 0.062 1 96 508 10 VAL CB C 29.316 0.072 1 97 508 10 VAL CG1 C 18.351 0.078 1 98 508 10 VAL CG2 C 20.798 0.080 1 99 508 10 VAL N N 121.153 0.058 1 100 509 11 GLU H H 7.482 0.017 1 101 509 11 GLU HA H 4.226 0.017 1 102 509 11 GLU HB2 H 2.02 0.028 2 103 509 11 GLU HB3 H 1.965 0.030 2 104 509 11 GLU HG2 H 2.223 0.037 2 105 509 11 GLU HG3 H 2.329 0.034 2 106 509 11 GLU C C 175.527 0.000 1 107 509 11 GLU CA C 56.032 0.064 1 108 509 11 GLU CB C 26.294 0.062 1 109 509 11 GLU CG C 32.75 0.115 1 110 509 11 GLU N N 120.339 0.050 1 111 510 12 LEU H H 8.03 0.017 1 112 510 12 LEU HA H 4.055 0.031 1 113 510 12 LEU HB2 H 1.616 0.014 2 114 510 12 LEU HB3 H 1.941 0.021 2 115 510 12 LEU HD1 H 0.92 0.026 2 116 510 12 LEU HD2 H 0.892 0.024 2 117 510 12 LEU C C 175.3 0.000 1 118 510 12 LEU CA C 55.142 0.077 1 119 510 12 LEU CB C 39.263 0.062 1 120 510 12 LEU CD1 C 24.921 0.135 2 121 510 12 LEU CD2 C 21.137 0.119 2 122 510 12 LEU N N 121.283 0.078 1 123 511 13 HIS H H 8.917 0.010 1 124 511 13 HIS HA H 3.619 0.023 1 125 511 13 HIS HB2 H 3.293 0.016 2 126 511 13 HIS HB3 H 3.032 0.013 2 127 511 13 HIS HD2 H 6.388 0.014 1 128 511 13 HIS HE1 H 7.89 0.019 1 129 511 13 HIS C C 173.408 0.000 1 130 511 13 HIS CA C 59.539 0.060 1 131 511 13 HIS CB C 28.632 0.129 1 132 511 13 HIS CD2 C 114.235 0.064 1 133 511 13 HIS CE1 C 135.163 0.008 1 134 511 13 HIS N N 119.468 0.133 1 135 512 14 ARG H H 7.845 0.016 1 136 512 14 ARG HA H 3.817 0.019 1 137 512 14 ARG HB2 H 1.984 0.003 2 138 512 14 ARG HB3 H 1.976 0.005 2 139 512 14 ARG HG2 H 1.535 0.021 2 140 512 14 ARG HG3 H 1.729 0.005 2 141 512 14 ARG HD2 H 3.105 0.011 2 142 512 14 ARG HD3 H 3.193 0.041 2 143 512 14 ARG C C 177.069 0.000 1 144 512 14 ARG CA C 56.883 0.071 1 145 512 14 ARG CB C 27.446 0.061 1 146 512 14 ARG CG C 24.587 0.146 1 147 512 14 ARG CD C 40.537 0.141 1 148 512 14 ARG N N 117.731 0.111 1 149 513 15 ARG H H 7.905 0.017 1 150 513 15 ARG HA H 3.942 0.013 1 151 513 15 ARG HB2 H 1.872 0.023 2 152 513 15 ARG HB3 H 1.89 0.021 2 153 513 15 ARG HG2 H 1.605 0.020 2 154 513 15 ARG HG3 H 1.895 0.015 2 155 513 15 ARG HD2 H 3.131 0.024 2 156 513 15 ARG HD3 H 3.149 0.026 2 157 513 15 ARG C C 177.211 0.000 1 158 513 15 ARG CA C 56.227 0.071 1 159 513 15 ARG CB C 28.045 0.062 1 160 513 15 ARG CG C 24.831 0.136 1 161 513 15 ARG CD C 40.775 0.034 1 162 513 15 ARG N N 117.944 0.181 1 163 514 16 LEU H H 8.752 0.015 1 164 514 16 LEU HA H 3.96 0.011 1 165 514 16 LEU HB2 H 1.909 0.017 2 166 514 16 LEU HB3 H 1.221 0.027 2 167 514 16 LEU HG H 1.933 0.027 1 168 514 16 LEU HD1 H 0.985 0.016 1 169 514 16 LEU HD2 H 0.932 0.023 1 170 514 16 LEU C C 176.139 0.000 1 171 514 16 LEU CA C 55.135 0.067 1 172 514 16 LEU CB C 39.483 0.080 1 173 514 16 LEU CG C 24.504 0.070 1 174 514 16 LEU CD1 C 25.47 0.089 1 175 514 16 LEU CD2 C 21.819 0.046 1 176 514 16 LEU N N 119.357 0.087 1 177 515 17 MET H H 7.774 0.024 1 178 515 17 MET HA H 4.417 0.013 1 179 515 17 MET HB2 H 2.322 0.023 2 180 515 17 MET HB3 H 2.161 0.010 2 181 515 17 MET HG2 H 2.008 0.005 2 182 515 17 MET HG3 H 2.324 0.020 2 183 515 17 MET C C 175.166 0.000 1 184 515 17 MET CA C 53.59 0.046 1 185 515 17 MET CB C 28.943 0.093 1 186 515 17 MET CG C 28.907 0.102 1 187 515 17 MET N N 114.501 0.125 1 188 516 18 THR H H 7.25 0.014 1 189 516 18 THR HA H 4.378 0.016 1 190 516 18 THR HB H 4.382 0.018 1 191 516 18 THR HG2 H 1.213 0.103 1 192 516 18 THR C C 171.672 0.000 1 193 516 18 THR CA C 58.688 0.017 1 194 516 18 THR CB C 67.287 0.086 1 195 516 18 THR CG2 C 19.057 0.103 1 196 516 18 THR N N 107.331 0.176 1 197 517 19 LEU H H 6.969 0.018 1 198 517 19 LEU HA H 4.204 0.008 1 199 517 19 LEU HB2 H 1.721 0.036 2 200 517 19 LEU HB3 H 1.656 0.019 2 201 517 19 LEU HD1 H 0.813 0.019 2 202 517 19 LEU HD2 H 0.976 0.009 2 203 517 19 LEU C C 174.522 0.000 1 204 517 19 LEU CA C 53.504 0.041 1 205 517 19 LEU CB C 40.39 0.052 1 206 517 19 LEU CD1 C 23.221 0.047 2 207 517 19 LEU CD2 C 22.232 0.055 2 208 517 19 LEU N N 123.986 0.127 1 209 518 20 ARG H H 8.946 0.010 1 210 518 20 ARG HA H 4.556 0.006 1 211 518 20 ARG HB2 H 1.953 0.009 2 212 518 20 ARG HB3 H 1.638 0.019 2 213 518 20 ARG HG2 H 1.636 0.014 2 214 518 20 ARG HG3 H 1.618 0.021 2 215 518 20 ARG HD2 H 3.169 0.029 2 216 518 20 ARG HD3 H 3.129 0.028 2 217 518 20 ARG C C 173.213 0.000 1 218 518 20 ARG CA C 52.075 0.063 1 219 518 20 ARG CB C 29.527 0.091 1 220 518 20 ARG CG C 23.85 0.040 1 221 518 20 ARG CD C 40.447 0.064 1 222 518 20 ARG N N 122.383 0.113 1 223 519 21 GLU H H 7.002 0.016 1 224 519 21 GLU HA H 4.243 0.016 1 225 519 21 GLU HB2 H 2.072 0.013 2 226 519 21 GLU HB3 H 1.861 0.011 2 227 519 21 GLU HG2 H 2.365 0.006 2 228 519 21 GLU HG3 H 2.371 0.004 2 229 519 21 GLU C C 174.126 0.000 1 230 519 21 GLU CA C 54.734 0.161 1 231 519 21 GLU CB C 27.344 0.045 1 232 519 21 GLU CG C 34.04 0.133 1 233 519 21 GLU N N 121.288 0.105 1 234 520 22 ARG H H 8.789 0.014 1 235 520 22 ARG HA H 3.752 0.014 1 236 520 22 ARG HB2 H 1.783 0.033 2 237 520 22 ARG HB3 H 1.802 0.042 2 238 520 22 ARG HG2 H 1.562 0.000 2 239 520 22 ARG HG3 H 1.546 0.019 2 240 520 22 ARG HD2 H 3.1 0.000 2 241 520 22 ARG HD3 H 3.101 0.004 2 242 520 22 ARG C C 175.103 0.000 1 243 520 22 ARG CA C 57.663 0.068 1 244 520 22 ARG CB C 27.507 0.053 1 245 520 22 ARG CG C 24.579 0.178 1 246 520 22 ARG CD C 40.663 0.121 1 247 520 22 ARG N N 128.134 0.107 1 248 521 23 HIS H H 8.901 0.126 1 249 521 23 HIS HA H 4.304 0.017 1 250 521 23 HIS HB2 H 3.231 0.024 2 251 521 23 HIS HB3 H 3.17 0.048 2 252 521 23 HIS HD2 H 7.131 0.000 1 253 521 23 HIS C C 174.942 0.000 1 254 521 23 HIS CA C 56.766 0.057 1 255 521 23 HIS CB C 26.015 0.155 1 256 521 23 HIS CD2 C 117.749 0.000 1 257 521 23 HIS N N 116.403 0.709 1 258 522 24 ILE H H 7.057 0.032 1 259 522 24 ILE HA H 3.784 0.013 1 260 522 24 ILE HB H 1.696 0.025 1 261 522 24 ILE HG12 H 1.158 0.035 2 262 522 24 ILE HG13 H 0.866 0.040 2 263 522 24 ILE HG2 H 0.827 0.019 1 264 522 24 ILE HD1 H 0.784 0.016 1 265 522 24 ILE C C 175.263 0.000 1 266 522 24 ILE CA C 60.668 0.055 1 267 522 24 ILE CB C 34.925 0.097 1 268 522 24 ILE CG1 C 25.431 0.088 1 269 522 24 ILE CG2 C 15.555 0.105 1 270 522 24 ILE CD1 C 9.884 0.088 1 271 522 24 ILE N N 119.595 0.091 1 272 523 25 LEU H H 7.855 0.020 1 273 523 25 LEU HA H 3.776 0.010 1 274 523 25 LEU HB2 H 1.107 0.012 2 275 523 25 LEU HB3 H 1.762 0.022 2 276 523 25 LEU HG H 1.445 0.011 1 277 523 25 LEU HD1 H 0.695 0.017 1 278 523 25 LEU HD2 H 0.773 0.034 1 279 523 25 LEU C C 175.678 0.000 1 280 523 25 LEU CA C 55.882 0.064 1 281 523 25 LEU CB C 39.404 0.104 1 282 523 25 LEU CD1 C 22.43 0.070 1 283 523 25 LEU CD2 C 20.274 0.061 1 284 523 25 LEU N N 120.041 0.117 1 285 524 26 GLN H H 8.159 0.020 1 286 524 26 GLN HA H 3.577 0.013 1 287 524 26 GLN HB2 H 2.075 0.023 2 288 524 26 GLN HB3 H 1.934 0.025 2 289 524 26 GLN HG2 H 2.138 0.034 2 290 524 26 GLN HG3 H 2.12 0.046 2 291 524 26 GLN HE21 H 7.119 0.035 2 292 524 26 GLN HE22 H 6.794 0.025 2 293 524 26 GLN C C 174.971 0.000 1 294 524 26 GLN CA C 56.012 0.063 1 295 524 26 GLN CB C 25.975 0.094 1 296 524 26 GLN CG C 31.38 0.115 1 297 524 26 GLN N N 116.381 0.118 1 298 524 26 GLN NE2 N 113.25 0.034 1 299 525 27 GLN H H 7.187 0.016 1 300 525 27 GLN HA H 3.793 0.011 1 301 525 27 GLN HB2 H 1.826 0.023 2 302 525 27 GLN HB3 H 1.408 0.011 2 303 525 27 GLN HG2 H 2.126 0.015 2 304 525 27 GLN HG3 H 1.925 0.019 2 305 525 27 GLN HE21 H 6.607 0.015 2 306 525 27 GLN HE22 H 6.595 0.030 2 307 525 27 GLN C C 176.429 0.000 1 308 525 27 GLN CA C 56.094 0.116 1 309 525 27 GLN CB C 25.784 0.065 1 310 525 27 GLN CG C 31.35 0.099 1 311 525 27 GLN N N 117.897 0.143 1 312 525 27 GLN NE2 N 109.9 0.031 1 313 526 28 ILE H H 7.982 0.016 1 314 526 28 ILE HA H 3.344 0.012 1 315 526 28 ILE HB H 1.926 0.020 1 316 526 28 ILE HG12 H 1.752 0.023 2 317 526 28 ILE HG13 H 0.947 0.019 2 318 526 28 ILE HG2 H 0.737 0.012 1 319 526 28 ILE HD1 H 0.742 0.012 1 320 526 28 ILE C C 173.765 0.000 1 321 526 28 ILE CA C 63.299 0.064 1 322 526 28 ILE CB C 34.876 0.093 1 323 526 28 ILE CG1 C 26.806 0.064 1 324 526 28 ILE CG2 C 14.405 0.087 1 325 526 28 ILE CD1 C 12.08 0.065 1 326 526 28 ILE N N 120.747 0.052 1 327 527 29 VAL H H 8.02 0.017 1 328 527 29 VAL HA H 2.661 0.006 1 329 527 29 VAL HB H 1.503 0.007 1 330 527 29 VAL HG1 H -0.163 0.013 1 331 527 29 VAL HG2 H 0.218 0.007 1 332 527 29 VAL C C 174.459 0.000 1 333 527 29 VAL CA C 63.799 0.077 1 334 527 29 VAL CB C 28.135 0.069 1 335 527 29 VAL CG1 C 17.082 0.068 1 336 527 29 VAL CG2 C 19.981 0.056 1 337 527 29 VAL N N 119.675 0.064 1 338 528 30 ASN H H 7.747 0.014 1 339 528 30 ASN HA H 4.144 0.026 1 340 528 30 ASN HB2 H 2.673 0.012 2 341 528 30 ASN HB3 H 2.654 0.017 2 342 528 30 ASN HD21 H 6.733 0.016 2 343 528 30 ASN HD22 H 7.447 0.013 2 344 528 30 ASN C C 174.916 0.000 1 345 528 30 ASN CA C 53.394 0.038 1 346 528 30 ASN CB C 35.29 0.082 1 347 528 30 ASN N N 116.292 0.116 1 348 528 30 ASN ND2 N 109.961 0.049 1 349 529 31 LEU H H 7.688 0.019 1 350 529 31 LEU HA H 4.055 0.017 1 351 529 31 LEU HB2 H 1.829 0.016 2 352 529 31 LEU HB3 H 1.818 0.012 2 353 529 31 LEU HG H 1.358 0.016 1 354 529 31 LEU HD1 H 0.841 0.019 2 355 529 31 LEU HD2 H 0.838 0.016 2 356 529 31 LEU C C 176.409 0.000 1 357 529 31 LEU CA C 55.28 0.148 1 358 529 31 LEU CB C 39.679 0.051 1 359 529 31 LEU CD1 C 23.887 0.103 2 360 529 31 LEU CD2 C 23.897 0.083 2 361 529 31 LEU N N 120.434 0.136 1 362 530 32 ILE H H 8.317 0.017 1 363 530 32 ILE HA H 3.632 0.014 1 364 530 32 ILE HB H 1.796 0.013 1 365 530 32 ILE HG12 H 1.441 0.015 2 366 530 32 ILE HG13 H -0.267 0.017 2 367 530 32 ILE HG2 H 0.598 0.016 1 368 530 32 ILE HD1 H 0.162 0.011 1 369 530 32 ILE C C 178.282 0.000 1 370 530 32 ILE CA C 58.676 0.079 1 371 530 32 ILE CB C 31.662 0.053 1 372 530 32 ILE CG1 C 22.863 0.054 1 373 530 32 ILE CG2 C 15.823 0.049 1 374 530 32 ILE CD1 C 7.05 0.061 1 375 530 32 ILE N N 117.327 0.141 1 376 531 33 GLU H H 9.115 0.018 1 377 531 33 GLU HA H 3.857 0.014 1 378 531 33 GLU HB2 H 1.919 0.008 2 379 531 33 GLU HB3 H 1.809 0.021 2 380 531 33 GLU HG2 H 2.056 0.016 2 381 531 33 GLU HG3 H 1.562 0.019 2 382 531 33 GLU C C 176.641 0.000 1 383 531 33 GLU CA C 56.785 0.062 1 384 531 33 GLU CB C 26.103 0.111 1 385 531 33 GLU CG C 33.528 0.121 1 386 531 33 GLU N N 123.638 0.219 1 387 532 34 GLU H H 7.221 0.014 1 388 532 34 GLU HA H 4.029 0.018 1 389 532 34 GLU HB2 H 2.135 0.026 2 390 532 34 GLU HB3 H 1.956 0.009 2 391 532 34 GLU HG2 H 2.448 0.004 2 392 532 34 GLU HG3 H 2.229 0.040 2 393 532 34 GLU C C 175.335 0.000 1 394 532 34 GLU CA C 56.322 0.104 1 395 532 34 GLU CB C 26.979 0.094 1 396 532 34 GLU CG C 33.607 0.104 1 397 532 34 GLU N N 117.335 0.105 1 398 533 35 THR H H 7.576 0.015 1 399 533 35 THR HA H 4.285 0.021 1 400 533 35 THR HB H 4.297 0.043 1 401 533 35 THR HG2 H 1.48 0.024 1 402 533 35 THR C C 173.777 0.000 1 403 533 35 THR CA C 60.514 0.083 1 404 533 35 THR CB C 68.872 0.079 1 405 533 35 THR CG2 C 19.676 0.264 1 406 533 35 THR N N 107.378 0.167 1 407 534 36 GLY H H 7.594 0.011 1 408 534 36 GLY HA2 H 4.191 0.012 2 409 534 36 GLY HA3 H 3.869 0.012 2 410 534 36 GLY C C 171.388 0.000 1 411 534 36 GLY CA C 42.776 0.109 1 412 534 36 GLY N N 106.558 0.180 1 413 535 37 HIS H H 8.325 0.023 1 414 535 37 HIS HA H 4.827 0.008 1 415 535 37 HIS HB2 H 3.136 0.023 2 416 535 37 HIS HB3 H 3.084 0.022 2 417 535 37 HIS C C 169.735 0.000 1 418 535 37 HIS CA C 51.184 0.130 1 419 535 37 HIS CB C 24.433 0.131 1 420 535 37 HIS N N 120.781 0.152 1 421 536 38 PHE H H 7.029 0.016 1 422 536 38 PHE HA H 5.178 0.009 1 423 536 38 PHE HB2 H 2.525 0.012 2 424 536 38 PHE HB3 H 2.07 0.011 2 425 536 38 PHE HD1 H 6.508 0.018 3 426 536 38 PHE HD2 H 6.508 0.018 3 427 536 38 PHE HE1 H 7.4 0.012 3 428 536 38 PHE HE2 H 7.4 0.012 3 429 536 38 PHE C C 170.539 0.000 1 430 536 38 PHE CA C 52.842 0.064 1 431 536 38 PHE CB C 39.548 0.072 1 432 536 38 PHE CD1 C 129.665 0.115 3 433 536 38 PHE CD2 C 129.665 0.115 3 434 536 38 PHE CE1 C 129.172 0.093 3 435 536 38 PHE CE2 C 129.172 0.093 3 436 536 38 PHE N N 115.762 0.099 1 437 537 39 HIS H H 8.843 0.011 1 438 537 39 HIS HA H 4.579 0.031 1 439 537 39 HIS HB2 H 3.06 0.013 2 440 537 39 HIS HB3 H 3.065 0.012 2 441 537 39 HIS C C 169.753 0.000 1 442 537 39 HIS CA C 52.393 0.202 1 443 537 39 HIS CB C 28.864 0.108 1 444 537 39 HIS N N 117.725 0.189 1 445 538 40 ILE H H 8.505 0.017 1 446 538 40 ILE HA H 5.019 0.009 1 447 538 40 ILE HB H 1.759 0.017 1 448 538 40 ILE HG12 H 1.222 0.011 2 449 538 40 ILE HG13 H 1.791 0.010 2 450 538 40 ILE HG2 H 0.907 0.011 1 451 538 40 ILE HD1 H 1.056 0.010 1 452 538 40 ILE C C 172.953 0.000 1 453 538 40 ILE CA C 57.909 0.069 1 454 538 40 ILE CB C 37.894 0.051 1 455 538 40 ILE CG1 C 26.486 0.101 1 456 538 40 ILE CG2 C 14.882 0.047 1 457 538 40 ILE CD1 C 11.188 0.059 1 458 538 40 ILE N N 123.642 0.069 1 459 539 41 THR H H 8.76 0.013 1 460 539 41 THR HA H 4.485 0.011 1 461 539 41 THR HB H 4.297 0.007 1 462 539 41 THR HG2 H 1.125 0.013 1 463 539 41 THR C C 171.623 0.000 1 464 539 41 THR CA C 58.013 0.143 1 465 539 41 THR CB C 67.482 0.210 1 466 539 41 THR CG2 C 18.77 0.014 1 467 539 41 THR N N 122.101 0.096 1 468 540 42 ASN H H 8.982 0.014 1 469 540 42 ASN HA H 4.328 0.007 1 470 540 42 ASN HB2 H 3.031 0.019 2 471 540 42 ASN HB3 H 3.007 0.025 2 472 540 42 ASN HD21 H 6.941 0.014 2 473 540 42 ASN HD22 H 7.644 0.011 2 474 540 42 ASN C C 172.591 0.000 1 475 540 42 ASN CA C 53.623 0.083 1 476 540 42 ASN CB C 34.722 0.110 1 477 540 42 ASN N N 119.753 0.087 1 478 540 42 ASN ND2 N 113.337 0.031 1 479 541 43 THR H H 8.081 0.013 1 480 541 43 THR HA H 4.539 0.019 1 481 541 43 THR HB H 4.543 0.007 1 482 541 43 THR HG2 H 1.072 0.017 1 483 541 43 THR C C 171.111 0.000 1 484 541 43 THR CA C 59.001 0.081 1 485 541 43 THR CB C 67.015 0.231 1 486 541 43 THR CG2 C 19.18 0.131 1 487 541 43 THR N N 108.889 0.082 1 488 542 44 THR H H 8.293 0.015 1 489 542 44 THR HA H 4.957 0.007 1 490 542 44 THR HB H 4.056 0.006 1 491 542 44 THR HG2 H 1.056 0.009 1 492 542 44 THR C C 168.944 0.000 1 493 542 44 THR CA C 59.348 0.090 1 494 542 44 THR CB C 68.662 0.102 1 495 542 44 THR CG2 C 19.473 0.202 1 496 542 44 THR N N 117.138 0.132 1 497 543 45 PHE H H 9.375 0.015 1 498 543 45 PHE HA H 4.976 0.013 1 499 543 45 PHE HB2 H 3.261 0.018 2 500 543 45 PHE HB3 H 2.684 0.017 2 501 543 45 PHE HD1 H 7.046 0.010 3 502 543 45 PHE HD2 H 7.046 0.010 3 503 543 45 PHE HE1 H 6.556 0.025 3 504 543 45 PHE HE2 H 6.556 0.025 3 505 543 45 PHE HZ H 6.356 0.011 1 506 543 45 PHE C C 170.842 0.000 1 507 543 45 PHE CA C 54.561 0.078 1 508 543 45 PHE CB C 39.483 0.048 1 509 543 45 PHE CD1 C 129.01 0.047 3 510 543 45 PHE CD2 C 129.01 0.047 3 511 543 45 PHE CE1 C 128.847 0.043 3 512 543 45 PHE CE2 C 128.847 0.043 3 513 543 45 PHE CZ C 127.127 0.088 1 514 543 45 PHE N N 128.697 0.158 1 515 544 46 ASP H H 9.054 0.010 1 516 544 46 ASP HA H 6.171 0.007 1 517 544 46 ASP HB2 H 2.355 0.014 2 518 544 46 ASP HB3 H 2.579 0.020 2 519 544 46 ASP C C 171.969 0.000 1 520 544 46 ASP CA C 49.984 0.069 1 521 544 46 ASP CB C 42.526 0.082 1 522 544 46 ASP N N 127.275 0.089 1 523 545 47 PHE H H 8.404 0.015 1 524 545 47 PHE HA H 4.852 0.018 1 525 545 47 PHE HB2 H 2.992 0.018 2 526 545 47 PHE HB3 H 3.309 0.017 2 527 545 47 PHE HD1 H 6.981 0.026 3 528 545 47 PHE HD2 H 6.981 0.026 3 529 545 47 PHE C C 169.11 0.000 1 530 545 47 PHE CA C 53.566 0.112 1 531 545 47 PHE CB C 38.813 0.094 1 532 545 47 PHE CD1 C 130.883 0.044 3 533 545 47 PHE CD2 C 130.883 0.044 3 534 545 47 PHE N N 113.166 0.082 1 535 546 48 ASP H H 9.092 0.013 1 536 546 48 ASP HA H 4.956 0.013 1 537 546 48 ASP HB2 H 2.779 0.005 2 538 546 48 ASP HB3 H 2.424 0.005 2 539 546 48 ASP C C 176.182 0.000 1 540 546 48 ASP CA C 49.241 0.071 1 541 546 48 ASP CB C 40.244 0.125 1 542 546 48 ASP N N 120.489 0.078 1 543 547 49 LEU H H 8.628 0.017 1 544 547 49 LEU HA H 4.043 0.013 1 545 547 49 LEU HB2 H 1.943 0.019 2 546 547 49 LEU HB3 H 1.589 0.015 2 547 547 49 LEU HG H 1.932 0.023 1 548 547 49 LEU HD1 H 1.009 0.015 1 549 547 49 LEU HD2 H 0.975 0.025 1 550 547 49 LEU C C 175.844 0.000 1 551 547 49 LEU CA C 55.722 0.080 1 552 547 49 LEU CB C 40.278 0.080 1 553 547 49 LEU CG C 24.61 0.124 1 554 547 49 LEU CD1 C 24.236 0.075 1 555 547 49 LEU CD2 C 21.687 0.077 1 556 547 49 LEU N N 125.816 0.083 1 557 548 50 CYS H H 8.565 0.012 1 558 548 50 CYS HA H 3.977 0.017 1 559 548 50 CYS HB2 H 2.957 0.021 2 560 548 50 CYS HB3 H 2.965 0.014 2 561 548 50 CYS C C 172.179 0.000 1 562 548 50 CYS CA C 58.677 0.101 1 563 548 50 CYS CB C 24.396 0.082 1 564 548 50 CYS N N 113.757 0.077 1 565 549 51 SER H H 7.62 0.012 1 566 549 51 SER HA H 4.391 0.035 1 567 549 51 SER HB2 H 3.878 0.034 2 568 549 51 SER HB3 H 3.773 0.051 2 569 549 51 SER C C 170.916 0.000 1 570 549 51 SER CA C 55.979 0.072 1 571 549 51 SER CB C 61.829 0.042 1 572 549 51 SER N N 113.177 0.094 1 573 550 52 LEU H H 6.71 0.015 1 574 550 52 LEU HA H 4.395 0.009 1 575 550 52 LEU HB2 H 1.826 0.013 2 576 550 52 LEU HB3 H 1.392 0.019 2 577 550 52 LEU HG H 2.132 0.009 1 578 550 52 LEU HD1 H 0.947 0.011 1 579 550 52 LEU HD2 H 0.927 0.018 1 580 550 52 LEU C C 174.24 0.000 1 581 550 52 LEU CA C 50.882 0.079 1 582 550 52 LEU CB C 40.929 0.083 1 583 550 52 LEU CG C 23.716 0.067 1 584 550 52 LEU CD1 C 19.457 0.064 1 585 550 52 LEU CD2 C 24.581 0.068 1 586 550 52 LEU N N 118.35 0.127 1 587 551 53 ASP H H 8.983 0.017 1 588 551 53 ASP HA H 4.614 0.027 1 589 551 53 ASP HB2 H 2.95 0.010 2 590 551 53 ASP HB3 H 2.757 0.018 2 591 551 53 ASP C C 173.73 0.000 1 592 551 53 ASP CA C 50.799 0.143 1 593 551 53 ASP CB C 39.333 0.095 1 594 551 53 ASP N N 121.85 0.091 1 595 552 54 LYS H H 8.566 0.016 1 596 552 54 LYS HA H 4.07 0.008 1 597 552 54 LYS HB2 H 1.697 0.009 2 598 552 54 LYS HB3 H 1.705 0.009 2 599 552 54 LYS HG2 H 1.39 0.019 2 600 552 54 LYS HG3 H 1.332 0.041 2 601 552 54 LYS HD2 H 1.385 0.019 2 602 552 54 LYS HD3 H 1.391 0.013 2 603 552 54 LYS HE2 H 2.267 0.005 2 604 552 54 LYS HE3 H 2.461 0.010 2 605 552 54 LYS C C 176.346 0.000 1 606 552 54 LYS CA C 57.564 0.072 1 607 552 54 LYS CB C 29.782 0.080 1 608 552 54 LYS CG C 22.856 0.075 1 609 552 54 LYS CD C 26.822 0.107 1 610 552 54 LYS CE C 39.001 0.099 1 611 552 54 LYS N N 121.457 0.079 1 612 553 55 THR H H 8.185 0.017 1 613 553 55 THR HA H 3.85 0.009 1 614 553 55 THR HB H 4.126 0.012 1 615 553 55 THR HG2 H 1.196 0.013 1 616 553 55 THR C C 174.343 0.000 1 617 553 55 THR CA C 63.51 0.076 1 618 553 55 THR CB C 65.728 0.079 1 619 553 55 THR CG2 C 19.623 0.098 1 620 553 55 THR N N 113.366 0.079 1 621 554 56 THR H H 7.833 0.011 1 622 554 56 THR HA H 3.774 0.019 1 623 554 56 THR HB H 4.229 0.006 1 624 554 56 THR HG2 H 1.102 0.008 1 625 554 56 THR C C 173.442 0.000 1 626 554 56 THR CA C 64.342 0.010 1 627 554 56 THR CB C 64.895 0.199 1 628 554 56 THR CG2 C 20.394 0.097 1 629 554 56 THR N N 120.959 0.129 1 630 555 57 VAL H H 7.824 0.009 1 631 555 57 VAL HA H 3.319 0.008 1 632 555 57 VAL HB H 2.241 0.009 1 633 555 57 VAL HG1 H 0.791 0.012 1 634 555 57 VAL HG2 H 1.006 0.019 1 635 555 57 VAL C C 174.614 0.000 1 636 555 57 VAL CA C 65.661 0.078 1 637 555 57 VAL CB C 29.042 0.070 1 638 555 57 VAL CG1 C 17.686 0.044 1 639 555 57 VAL CG2 C 21.628 0.050 1 640 555 57 VAL N N 122.722 0.078 1 641 556 58 ARG H H 8.262 0.011 1 642 556 58 ARG HA H 4.366 0.013 1 643 556 58 ARG HB2 H 1.879 0.030 2 644 556 58 ARG HB3 H 1.869 0.020 2 645 556 58 ARG HG2 H 1.736 0.007 2 646 556 58 ARG HG3 H 1.743 0.003 2 647 556 58 ARG HD2 H 3.129 0.027 2 648 556 58 ARG HD3 H 3.224 0.025 2 649 556 58 ARG C C 177.315 0.000 1 650 556 58 ARG CA C 55.937 0.041 1 651 556 58 ARG CB C 26.61 0.059 1 652 556 58 ARG CG C 25.212 0.059 1 653 556 58 ARG CD C 40.453 0.065 1 654 556 58 ARG N N 118.622 0.152 1 655 557 59 LYS H H 7.668 0.015 1 656 557 59 LYS HA H 3.879 0.017 1 657 557 59 LYS HB2 H 1.87 0.012 2 658 557 59 LYS HB3 H 1.664 0.020 2 659 557 59 LYS HG2 H 1.372 0.023 2 660 557 59 LYS HG3 H 1.327 0.031 2 661 557 59 LYS HE2 H 2.838 0.030 2 662 557 59 LYS HE3 H 2.78 0.013 2 663 557 59 LYS C C 176.208 0.000 1 664 557 59 LYS CA C 56.574 0.099 1 665 557 59 LYS CB C 29.511 0.111 1 666 557 59 LYS CG C 22.835 0.044 1 667 557 59 LYS CD C 26.702 0.000 1 668 557 59 LYS CE C 39.492 0.029 1 669 557 59 LYS N N 121.115 0.084 1 670 558 60 LEU H H 8.146 0.013 1 671 558 60 LEU HA H 3.712 0.008 1 672 558 60 LEU HB2 H 1.369 0.008 2 673 558 60 LEU HB3 H 2.206 0.010 2 674 558 60 LEU HG H 1.822 0.010 1 675 558 60 LEU HD1 H 0.861 0.014 1 676 558 60 LEU HD2 H 0.868 0.009 1 677 558 60 LEU C C 175.938 0.000 1 678 558 60 LEU CA C 55.975 0.086 1 679 558 60 LEU CB C 40.104 0.075 1 680 558 60 LEU CG C 23.983 0.000 1 681 558 60 LEU CD1 C 23.909 0.089 1 682 558 60 LEU CD2 C 22.988 0.070 1 683 558 60 LEU N N 120.328 0.090 1 684 559 61 GLN H H 8.307 0.011 1 685 559 61 GLN HA H 3.832 0.014 1 686 559 61 GLN HB2 H 1.978 0.017 2 687 559 61 GLN HB3 H 2.339 0.016 2 688 559 61 GLN HG2 H 2.53 0.010 2 689 559 61 GLN HG3 H 2.245 0.026 2 690 559 61 GLN HE21 H 7.264 0.014 2 691 559 61 GLN HE22 H 7.557 0.005 2 692 559 61 GLN C C 176.828 0.000 1 693 559 61 GLN CA C 56.818 0.059 1 694 559 61 GLN CB C 26.007 0.119 1 695 559 61 GLN CG C 32.42 0.077 1 696 559 61 GLN N N 115.485 0.149 1 697 559 61 GLN NE2 N 112.058 0.026 1 698 560 62 SER H H 7.898 0.007 1 699 560 62 SER HA H 4.239 0.006 1 700 560 62 SER HB2 H 3.921 0.007 2 701 560 62 SER HB3 H 3.917 0.007 2 702 560 62 SER C C 174.343 0.000 1 703 560 62 SER CA C 58.963 0.105 1 704 560 62 SER CB C 60.138 0.077 1 705 560 62 SER N N 115.61 0.151 1 706 561 63 TYR H H 7.852 0.015 1 707 561 63 TYR HA H 4.539 0.006 1 708 561 63 TYR HB2 H 3.113 0.027 2 709 561 63 TYR HB3 H 2.997 0.030 2 710 561 63 TYR HD1 H 6.887 0.015 3 711 561 63 TYR HD2 H 6.887 0.015 3 712 561 63 TYR HE1 H 6.6 0.011 3 713 561 63 TYR HE2 H 6.6 0.011 3 714 561 63 TYR C C 175.32 0.000 1 715 561 63 TYR CA C 55.75 0.116 1 716 561 63 TYR CB C 34.352 0.066 1 717 561 63 TYR CD1 C 129.009 0.031 3 718 561 63 TYR CD2 C 129.009 0.031 3 719 561 63 TYR CE1 C 115.708 0.078 3 720 561 63 TYR CE2 C 115.708 0.078 3 721 561 63 TYR N N 121.323 0.102 1 722 562 64 LEU H H 7.569 0.014 1 723 562 64 LEU HA H 4.147 0.016 1 724 562 64 LEU HB2 H 1.6 0.008 2 725 562 64 LEU HB3 H 1.806 0.011 2 726 562 64 LEU HG H 1.819 0.009 1 727 562 64 LEU HD1 H 0.803 0.020 2 728 562 64 LEU HD2 H 0.793 0.024 2 729 562 64 LEU C C 175.456 0.000 1 730 562 64 LEU CA C 53.433 0.082 1 731 562 64 LEU CB C 38.968 0.044 1 732 562 64 LEU CG C 24.592 0.114 1 733 562 64 LEU CD1 C 23.387 0.084 2 734 562 64 LEU CD2 C 21.023 0.051 2 735 562 64 LEU N N 117.309 0.096 1 736 563 65 GLU H H 7.661 0.014 1 737 563 65 GLU HA H 4.237 0.008 1 738 563 65 GLU HB2 H 2.069 0.019 2 739 563 65 GLU HB3 H 2.068 0.017 2 740 563 65 GLU HG2 H 2.287 0.021 2 741 563 65 GLU HG3 H 2.342 0.017 2 742 563 65 GLU C C 174.744 0.000 1 743 563 65 GLU CA C 54.917 0.086 1 744 563 65 GLU CB C 27.314 0.086 1 745 563 65 GLU CG C 33.431 0.045 1 746 563 65 GLU N N 119.496 0.104 1 747 564 66 THR H H 7.929 0.007 1 748 564 66 THR HA H 4.349 0.030 1 749 564 66 THR HB H 4.318 0.026 1 750 564 66 THR HG2 H 1.192 0.027 1 751 564 66 THR C C 172.311 0.000 1 752 564 66 THR CA C 59.516 0.243 1 753 564 66 THR CB C 67.19 0.281 1 754 564 66 THR CG2 C 19.095 0.144 1 755 564 66 THR N N 112.186 0.067 1 756 565 67 SER H H 8.043 0.018 1 757 565 67 SER HA H 4.378 0.019 1 758 565 67 SER HB2 H 3.855 0.009 2 759 565 67 SER HB3 H 3.859 0.010 2 760 565 67 SER C C 172.375 0.000 1 761 565 67 SER CA C 56.275 0.178 1 762 565 67 SER CB C 61.291 0.088 1 763 565 67 SER N N 117.582 0.197 1 764 566 68 GLY H H 8.412 0.026 1 765 566 68 GLY HA3 H 3.991 0.005 2 766 566 68 GLY C C 171.669 0.000 1 767 566 68 GLY CA C 42.837 0.160 1 768 566 68 GLY N N 110.83 0.107 1 769 567 69 THR H H 7.973 0.013 1 770 567 69 THR HA H 4.385 0.012 1 771 567 69 THR HB H 4.192 0.020 1 772 567 69 THR HG2 H 1.14 0.007 1 773 567 69 THR C C 171.274 0.000 1 774 567 69 THR CA C 59.16 0.149 1 775 567 69 THR CB C 67.437 0.180 1 776 567 69 THR CG2 C 19.171 0.126 1 777 567 69 THR N N 112.982 0.068 1 778 568 70 SER H H 7.952 0.006 1 779 568 70 SER HA H 4.219 0.004 1 780 568 70 SER HB2 H 3.787 0.003 2 781 568 70 SER HB3 H 3.798 0.000 2 782 568 70 SER CA C 57.515 0.110 1 783 568 70 SER CB C 62.197 0.091 1 784 568 70 SER N N 123.589 0.140 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNHA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $BCoR-AF9 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BCoR _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 1175 2 THR C C 172.165 0.000 1 2 1175 2 THR CA C 59.339 0.037 1 3 1175 2 THR CB C 67.29 0.019 1 4 1175 2 THR CG2 C 19.122 0.000 1 5 1176 3 THR H H 8.238 0.007 1 6 1176 3 THR HA H 4.315 0.000 1 7 1176 3 THR C C 171.543 0.000 1 8 1176 3 THR CA C 59.271 0.055 1 9 1176 3 THR CB C 67.175 0.075 1 10 1176 3 THR CG2 C 19.088 0.000 1 11 1176 3 THR N N 116.33 0.159 1 12 1177 4 ASN H H 8.474 0.007 1 13 1177 4 ASN HA H 4.67 0.020 1 14 1177 4 ASN HB2 H 2.673 0.000 2 15 1177 4 ASN HB3 H 2.798 0.000 2 16 1177 4 ASN C C 172.553 0.000 1 17 1177 4 ASN CA C 50.64 0.093 1 18 1177 4 ASN CB C 36.217 0.136 1 19 1177 4 ASN N N 121.403 0.089 1 20 1178 5 SER H H 8.3 0.007 1 21 1178 5 SER HA H 4.41 0.000 1 22 1178 5 SER C C 171.966 0.000 1 23 1178 5 SER CA C 55.969 0.048 1 24 1178 5 SER CB C 61.159 0.012 1 25 1178 5 SER N N 116.61 0.150 1 26 1179 6 SER H H 8.207 0.005 1 27 1179 6 SER HA H 4.361 0.000 1 28 1179 6 SER CA C 55.907 0.040 1 29 1179 6 SER CB C 61.149 0.035 1 30 1179 6 SER N N 117.256 0.144 1 31 1180 7 SER H H 8.331 0.006 1 32 1180 7 SER HA H 4.428 0.000 1 33 1180 7 SER C C 171.471 0.000 1 34 1180 7 SER CA C 55.891 0.098 1 35 1180 7 SER CB C 61.106 0.023 1 36 1180 7 SER N N 117.758 0.220 1 37 1181 8 ASN H H 8.233 0.014 1 38 1181 8 ASN HA H 4.67 0.038 1 39 1181 8 ASN HB2 H 2.776 0.018 2 40 1181 8 ASN HB3 H 2.723 0.000 2 41 1181 8 ASN C C 174.514 0.000 1 42 1181 8 ASN CA C 50.624 0.090 1 43 1181 8 ASN CB C 36.15 0.137 1 44 1181 8 ASN N N 120.104 0.090 1 45 1182 9 HIS H H 8.308 0.015 1 46 1182 9 HIS HA H 4.547 0.009 1 47 1182 9 HIS HB2 H 2.988 0.054 2 48 1182 9 HIS HB3 H 2.988 0.054 2 49 1182 9 HIS C C 171.693 0.000 1 50 1182 9 HIS CA C 53.129 0.110 1 51 1182 9 HIS CB C 26.373 0.157 1 52 1182 9 HIS N N 118.789 0.202 1 53 1183 10 LEU H H 8.096 0.018 1 54 1183 10 LEU HA H 4.168 0.010 1 55 1183 10 LEU HD1 H 0.79 0.025 2 56 1183 10 LEU HD2 H 0.756 0.010 2 57 1183 10 LEU C C 174.444 0.000 1 58 1183 10 LEU CA C 52.742 0.057 1 59 1183 10 LEU CB C 39.545 0.078 1 60 1183 10 LEU CG C 24.259 0.000 1 61 1183 10 LEU CD1 C 22.242 0.023 2 62 1183 10 LEU CD2 C 20.857 0.118 2 63 1183 10 LEU N N 122.966 0.093 1 64 1184 11 GLU H H 8.287 0.026 1 65 1184 11 GLU HA H 4.18 0.011 1 66 1184 11 GLU HB2 H 1.959 0.018 2 67 1184 11 GLU HB3 H 1.829 0.022 2 68 1184 11 GLU HG2 H 2.167 0.018 2 69 1184 11 GLU HG3 H 2.171 0.013 2 70 1184 11 GLU C C 173.049 0.000 1 71 1184 11 GLU CA C 53.542 0.044 1 72 1184 11 GLU CB C 27.547 0.153 1 73 1184 11 GLU CG C 33.536 0.107 1 74 1184 11 GLU N N 120.699 0.053 1 75 1185 12 ASP H H 8.138 0.012 1 76 1185 12 ASP HA H 4.768 0.009 1 77 1185 12 ASP HB2 H 2.707 0.004 2 78 1185 12 ASP HB3 H 2.49 0.009 2 79 1185 12 ASP CA C 49.476 0.070 1 80 1185 12 ASP CB C 38.795 0.047 1 81 1185 12 ASP N N 122.842 0.111 1 82 1186 13 PRO HA H 4.288 0.010 1 83 1186 13 PRO HB2 H 2.111 0.013 2 84 1186 13 PRO HB3 H 1.579 0.015 2 85 1186 13 PRO HG2 H 1.889 0.008 2 86 1186 13 PRO HG3 H 1.717 0.020 2 87 1186 13 PRO HD2 H 3.696 0.025 2 88 1186 13 PRO HD3 H 3.741 0.012 2 89 1186 13 PRO C C 174.312 0.000 1 90 1186 13 PRO CA C 60.834 0.103 1 91 1186 13 PRO CB C 29.379 0.073 1 92 1186 13 PRO CG C 24.487 0.069 1 93 1186 13 PRO CD C 48.125 0.097 1 94 1187 14 HIS H H 8.492 0.012 1 95 1187 14 HIS HA H 4.518 0.022 1 96 1187 14 HIS HB2 H 3.069 0.034 2 97 1187 14 HIS HB3 H 3.046 0.020 2 98 1187 14 HIS C C 172.027 0.000 1 99 1187 14 HIS CA C 52.979 0.113 1 100 1187 14 HIS CB C 26.173 0.198 1 101 1187 14 HIS N N 117.472 0.029 1 102 1188 15 TYR H H 7.904 0.018 1 103 1188 15 TYR HA H 4.393 0.025 1 104 1188 15 TYR HB2 H 2.939 0.040 2 105 1188 15 TYR HB3 H 2.964 0.030 2 106 1188 15 TYR C C 173.372 0.000 1 107 1188 15 TYR CA C 56.088 0.105 1 108 1188 15 TYR CB C 36.092 0.068 1 109 1188 15 TYR CD1 C 130.686 0.000 3 110 1188 15 TYR CD2 C 130.686 0.000 3 111 1188 15 TYR CE1 C 117.388 0.000 3 112 1188 15 TYR CE2 C 117.388 0.000 3 113 1188 15 TYR N N 120.664 0.073 1 114 1189 16 SER H H 8.073 0.008 1 115 1189 16 SER HA H 4.256 0.014 1 116 1189 16 SER HB2 H 3.722 0.020 2 117 1189 16 SER HB3 H 3.738 0.004 2 118 1189 16 SER C C 171.647 0.000 1 119 1189 16 SER CA C 56.059 0.098 1 120 1189 16 SER CB C 61.158 0.012 1 121 1189 16 SER N N 116.979 0.143 1 122 1190 17 GLU H H 8.213 0.012 1 123 1190 17 GLU HA H 4.191 0.023 1 124 1190 17 GLU HB2 H 1.983 0.022 2 125 1190 17 GLU HB3 H 1.871 0.028 2 126 1190 17 GLU HG2 H 2.181 0.013 2 127 1190 17 GLU HG3 H 2.181 0.011 2 128 1190 17 GLU C C 173.611 0.000 1 129 1190 17 GLU CA C 54.104 0.069 1 130 1190 17 GLU CB C 27.378 0.103 1 131 1190 17 GLU CG C 33.573 0.097 1 132 1190 17 GLU N N 121.968 0.163 1 133 1191 18 LEU H H 7.886 0.013 1 134 1191 18 LEU HA H 4.218 0.021 1 135 1191 18 LEU HB2 H 1.517 0.015 2 136 1191 18 LEU HB3 H 1.526 0.015 2 137 1191 18 LEU HG H 1.456 0.029 1 138 1191 18 LEU HD1 H 0.783 0.028 2 139 1191 18 LEU HD2 H 0.765 0.019 2 140 1191 18 LEU C C 174.294 0.000 1 141 1191 18 LEU CA C 52.672 0.051 1 142 1191 18 LEU CB C 39.628 0.073 1 143 1191 18 LEU CG C 24.327 0.090 1 144 1191 18 LEU CD1 C 22.266 0.080 2 145 1191 18 LEU CD2 C 21.021 0.150 2 146 1191 18 LEU N N 121.716 0.129 1 147 1192 19 THR H H 7.902 0.018 1 148 1192 19 THR HA H 4.151 0.032 1 149 1192 19 THR HB H 4.058 0.011 1 150 1192 19 THR HG2 H 1.023 0.012 1 151 1192 19 THR C C 170.96 0.000 1 152 1192 19 THR CA C 59.513 0.085 1 153 1192 19 THR CB C 67.118 0.074 1 154 1192 19 THR CG2 C 18.911 0.158 1 155 1192 19 THR N N 113.658 0.168 1 156 1193 20 ASN H H 7.937 0.014 1 157 1193 20 ASN HA H 4.706 0.015 1 158 1193 20 ASN HB2 H 2.481 0.004 2 159 1193 20 ASN HB3 H 2.696 0.015 2 160 1193 20 ASN HD21 H 6.772 0.031 2 161 1193 20 ASN HD22 H 7.534 0.031 2 162 1193 20 ASN C C 171.105 0.000 1 163 1193 20 ASN CA C 50.64 0.077 1 164 1193 20 ASN CB C 37.528 0.086 1 165 1193 20 ASN N N 120.113 0.100 1 166 1193 20 ASN ND2 N 112.549 0.007 1 167 1194 21 LEU H H 8.627 0.018 1 168 1194 21 LEU HA H 3.917 0.014 1 169 1194 21 LEU HB2 H 1.19 0.013 2 170 1194 21 LEU HB3 H 1.593 0.017 2 171 1194 21 LEU HG H 1.202 0.011 1 172 1194 21 LEU HD1 H 0.59 0.015 1 173 1194 21 LEU HD2 H 0.395 0.012 1 174 1194 21 LEU C C 172.516 0.000 1 175 1194 21 LEU CA C 50.498 0.104 1 176 1194 21 LEU CB C 39.963 0.194 1 177 1194 21 LEU CG C 23.543 0.065 1 178 1194 21 LEU CD1 C 24.527 0.080 1 179 1194 21 LEU CD2 C 20.65 0.079 1 180 1194 21 LEU N N 125.404 0.198 1 181 1195 22 LYS H H 7.876 0.018 1 182 1195 22 LYS HA H 4.532 0.015 1 183 1195 22 LYS HB2 H 1.618 0.012 2 184 1195 22 LYS HB3 H 1.628 0.012 2 185 1195 22 LYS HG2 H 1.132 0.039 2 186 1195 22 LYS HG3 H 1.204 0.024 2 187 1195 22 LYS HD2 H 1.463 0.006 2 188 1195 22 LYS HD3 H 1.478 0.006 2 189 1195 22 LYS HE2 H 2.733 0.017 2 190 1195 22 LYS HE3 H 2.734 0.015 2 191 1195 22 LYS C C 173.819 0.000 1 192 1195 22 LYS CA C 54.13 0.053 1 193 1195 22 LYS CB C 30.435 0.067 1 194 1195 22 LYS CG C 22.386 0.069 1 195 1195 22 LYS CD C 26.549 0.059 1 196 1195 22 LYS CE C 39.066 0.011 1 197 1195 22 LYS N N 122.439 0.109 1 198 1196 23 VAL H H 9.123 0.013 1 199 1196 23 VAL HA H 4.002 0.009 1 200 1196 23 VAL HB H 0.462 0.032 1 201 1196 23 VAL HG1 H 0.577 0.013 1 202 1196 23 VAL HG2 H 0.604 0.011 1 203 1196 23 VAL C C 171.123 0.000 1 204 1196 23 VAL CA C 58.676 0.096 1 205 1196 23 VAL CB C 30.236 0.084 1 206 1196 23 VAL CG1 C 19.437 0.083 1 207 1196 23 VAL CG2 C 19.578 0.122 1 208 1196 23 VAL N N 130.118 0.087 1 209 1197 24 CYS H H 7.529 0.018 1 210 1197 24 CYS HA H 5.205 0.013 1 211 1197 24 CYS HB2 H 2.638 0.008 2 212 1197 24 CYS HB3 H 2.651 0.014 2 213 1197 24 CYS C C 171.496 0.000 1 214 1197 24 CYS CA C 53.945 0.075 1 215 1197 24 CYS CB C 27.26 0.077 1 216 1197 24 CYS N N 123.604 0.120 1 217 1198 25 ILE H H 9.643 0.010 1 218 1198 25 ILE HA H 4.228 0.015 1 219 1198 25 ILE HB H 1.874 0.017 1 220 1198 25 ILE HG12 H 1.58 0.014 2 221 1198 25 ILE HG13 H 1.213 0.012 2 222 1198 25 ILE HG2 H 0.744 0.037 1 223 1198 25 ILE HD1 H 0.85 0.026 1 224 1198 25 ILE C C 172.33 0.000 1 225 1198 25 ILE CA C 57.524 0.071 1 226 1198 25 ILE CB C 39.126 0.095 1 227 1198 25 ILE CG1 C 24.895 0.089 1 228 1198 25 ILE CG2 C 14.617 0.086 1 229 1198 25 ILE CD1 C 11.345 0.064 1 230 1198 25 ILE N N 126.295 0.118 1 231 1199 26 GLU H H 8.744 0.012 1 232 1199 26 GLU HA H 4.438 0.017 1 233 1199 26 GLU HB2 H 2.009 0.030 2 234 1199 26 GLU HB3 H 2.005 0.027 2 235 1199 26 GLU HG2 H 2.286 0.014 2 236 1199 26 GLU HG3 H 2.285 0.015 2 237 1199 26 GLU C C 174.347 0.000 1 238 1199 26 GLU CA C 53.92 0.160 1 239 1199 26 GLU CB C 27.068 0.125 1 240 1199 26 GLU CG C 33.897 0.035 1 241 1199 26 GLU N N 128.503 0.078 1 242 1200 27 LEU H H 8.669 0.014 1 243 1200 27 LEU HA H 4.026 0.010 1 244 1200 27 LEU HB2 H 1.607 0.031 2 245 1200 27 LEU HB3 H 1.47 0.037 2 246 1200 27 LEU HD1 H 0.8 0.008 1 247 1200 27 LEU HD2 H 0.67 0.017 1 248 1200 27 LEU C C 176.186 0.000 1 249 1200 27 LEU CA C 53.888 0.029 1 250 1200 27 LEU CB C 39.804 0.066 1 251 1200 27 LEU CG C 24.187 0.000 1 252 1200 27 LEU CD1 C 23.098 0.108 1 253 1200 27 LEU CD2 C 20.352 0.068 1 254 1200 27 LEU N N 125.043 0.167 1 255 1201 28 THR H H 8.223 0.018 1 256 1201 28 THR HA H 3.906 0.018 1 257 1201 28 THR HB H 4.071 0.018 1 258 1201 28 THR HG2 H 1.192 0.009 1 259 1201 28 THR C C 173.223 0.000 1 260 1201 28 THR CA C 62.146 0.050 1 261 1201 28 THR CB C 66.002 0.095 1 262 1201 28 THR CG2 C 19.353 0.128 1 263 1201 28 THR N N 114.728 0.071 1 264 1202 29 GLY H H 8.435 0.015 1 265 1202 29 GLY HA2 H 3.874 0.035 2 266 1202 29 GLY HA3 H 3.871 0.038 2 267 1202 29 GLY C C 171.322 0.000 1 268 1202 29 GLY CA C 42.774 0.147 1 269 1202 29 GLY N N 111.99 0.077 1 270 1203 30 LEU H H 7.646 0.017 1 271 1203 30 LEU HA H 4.195 0.016 1 272 1203 30 LEU HB2 H 1.245 0.009 2 273 1203 30 LEU HB3 H 1.528 0.020 2 274 1203 30 LEU HG H 1.441 0.027 1 275 1203 30 LEU HD1 H 0.632 0.017 1 276 1203 30 LEU HD2 H 0.596 0.022 1 277 1203 30 LEU C C 173.651 0.000 1 278 1203 30 LEU CA C 52.157 0.053 1 279 1203 30 LEU CB C 39.605 0.106 1 280 1203 30 LEU CG C 24.264 0.085 1 281 1203 30 LEU CD1 C 23.393 0.078 1 282 1203 30 LEU CD2 C 20.932 0.075 1 283 1203 30 LEU N N 118.894 0.097 1 284 1204 31 HIS H H 8.12 0.019 1 285 1204 31 HIS HA H 4.896 0.010 1 286 1204 31 HIS HB2 H 2.942 0.027 2 287 1204 31 HIS HB3 H 3.054 0.023 2 288 1204 31 HIS CA C 50.59 0.113 1 289 1204 31 HIS CB C 26.988 0.115 1 290 1204 31 HIS N N 116.871 0.129 1 291 1205 32 PRO HA H 4.357 0.013 1 292 1205 32 PRO HB2 H 1.884 0.005 2 293 1205 32 PRO HB3 H 2.135 0.012 2 294 1205 32 PRO HG2 H 1.901 0.019 2 295 1205 32 PRO HG3 H 1.879 0.028 2 296 1205 32 PRO HD2 H 3.555 0.023 2 297 1205 32 PRO HD3 H 3.555 0.023 2 298 1205 32 PRO C C 173.733 0.000 1 299 1205 32 PRO CA C 60.353 0.093 1 300 1205 32 PRO CB C 29.542 0.151 1 301 1205 32 PRO CG C 24.653 0.133 1 302 1205 32 PRO CD C 47.926 0.084 1 303 1206 33 LYS H H 8.618 0.019 1 304 1206 33 LYS HA H 4.178 0.014 1 305 1206 33 LYS HB2 H 1.703 0.024 2 306 1206 33 LYS HB3 H 1.703 0.024 2 307 1206 33 LYS HG2 H 1.338 0.032 2 308 1206 33 LYS HG3 H 1.36 0.000 2 309 1206 33 LYS HD2 H 1.402 0.006 2 310 1206 33 LYS HD3 H 1.402 0.006 2 311 1206 33 LYS HE2 H 2.234 0.000 2 312 1206 33 LYS HE3 H 2.463 0.017 2 313 1206 33 LYS C C 172.985 0.000 1 314 1206 33 LYS CA C 54.036 0.058 1 315 1206 33 LYS CB C 30.405 0.100 1 316 1206 33 LYS CG C 22.205 0.157 1 317 1206 33 LYS CD C 26.701 0.198 1 318 1206 33 LYS CE C 39.284 0.473 1 319 1206 33 LYS N N 122.753 0.131 1 320 1207 34 LYS H H 7.905 0.015 1 321 1207 34 LYS HA H 4.069 0.005 1 322 1207 34 LYS HB2 H 1.631 0.022 2 323 1207 34 LYS HB3 H 1.699 0.029 2 324 1207 34 LYS HG2 H 1.401 0.028 2 325 1207 34 LYS HG3 H 1.356 0.032 2 326 1207 34 LYS HD2 H 1.611 0.025 2 327 1207 34 LYS HD3 H 1.64 0.035 2 328 1207 34 LYS HE2 H 2.919 0.010 2 329 1207 34 LYS HE3 H 2.931 0.005 2 330 1207 34 LYS CA C 55.137 0.121 1 331 1207 34 LYS CB C 31.059 0.117 1 332 1207 34 LYS CG C 22.152 0.054 1 333 1207 34 LYS CD C 26.497 0.100 1 334 1207 34 LYS CE C 39.54 0.090 1 335 1207 34 LYS N N 127.959 0.083 1 stop_ save_