data_27106 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human BRM AT-hook and Bromodomain ; _BMRB_accession_number 27106 _BMRB_flat_file_name bmr27106.str _Entry_type original _Submission_date 2017-05-15 _Accession_date 2017-05-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone resonance assignments for the human BRM AT-hook and Bromodomain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morrison Emma A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 131 "13C chemical shifts" 190 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-01 original BMRB . stop_ _Original_release_date 2017-05-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; DNA binding drives the association of BRG1/hBRM bromodomains with nucleosomes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28706277 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morrison Emma A. . 2 Sanchez Julio C. . 3 Ronan Jehnna L. . 4 Farrell Daniel P. . 5 Varzavand Katayoun . . 6 Johnson Jenna K. . 7 Gu Brian X. . 8 Crabtree Gerald R. . 9 Musselman Catherine A. . stop_ _Journal_abbreviation 'Nat Commun.' _Journal_volume 8 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16080 _Page_last 16080 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BRM AT-BRD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AT-BRD $BRM_AT-BRD 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_BRM_AT-BRD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BRM_AT-BRD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; GPKEDVEKAKKRRGRPPAEK LSPNPPKLTKQMNAIIDTVI NYKDRCNVEKVPSNSQLEIE GNSSGRQLSEVFIQLPSRKE LPEYYELIRKPVDFKKIKER IRNHKYRSLGDLEKDVMLLC HNAQTFNLEGSQIYEDSIVL QSVFKSARQKIAK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LYS 4 GLU 5 ASP 6 VAL 7 GLU 8 LYS 9 ALA 10 LYS 11 LYS 12 ARG 13 ARG 14 GLY 15 ARG 16 PRO 17 PRO 18 ALA 19 GLU 20 LYS 21 LEU 22 SER 23 PRO 24 ASN 25 PRO 26 PRO 27 LYS 28 LEU 29 THR 30 LYS 31 GLN 32 MET 33 ASN 34 ALA 35 ILE 36 ILE 37 ASP 38 THR 39 VAL 40 ILE 41 ASN 42 TYR 43 LYS 44 ASP 45 ARG 46 CYS 47 ASN 48 VAL 49 GLU 50 LYS 51 VAL 52 PRO 53 SER 54 ASN 55 SER 56 GLN 57 LEU 58 GLU 59 ILE 60 GLU 61 GLY 62 ASN 63 SER 64 SER 65 GLY 66 ARG 67 GLN 68 LEU 69 SER 70 GLU 71 VAL 72 PHE 73 ILE 74 GLN 75 LEU 76 PRO 77 SER 78 ARG 79 LYS 80 GLU 81 LEU 82 PRO 83 GLU 84 TYR 85 TYR 86 GLU 87 LEU 88 ILE 89 ARG 90 LYS 91 PRO 92 VAL 93 ASP 94 PHE 95 LYS 96 LYS 97 ILE 98 LYS 99 GLU 100 ARG 101 ILE 102 ARG 103 ASN 104 HIS 105 LYS 106 TYR 107 ARG 108 SER 109 LEU 110 GLY 111 ASP 112 LEU 113 GLU 114 LYS 115 ASP 116 VAL 117 MET 118 LEU 119 LEU 120 CYS 121 HIS 122 ASN 123 ALA 124 GLN 125 THR 126 PHE 127 ASN 128 LEU 129 GLU 130 GLY 131 SER 132 GLN 133 ILE 134 TYR 135 GLU 136 ASP 137 SER 138 ILE 139 VAL 140 LEU 141 GLN 142 SER 143 VAL 144 PHE 145 LYS 146 SER 147 ALA 148 ARG 149 GLN 150 LYS 151 ILE 152 ALA 153 LYS 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 $BRM_AT-BRD Human 9606 Eukaryota Metazoa Homo sapiens SMARCA2 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 $BRM_AT-BRD 'recombinant technology' . Escherichia coli . pDEST15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BRM_AT-BRD 0.5 mM '[U-100% 13C; U-100% 15N]' KPi 50 mM 'natural abundance' KCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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 $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50mM KPi pH 7.0, 50mM KCl, 1mM DTT' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 129 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . 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 water C 13 protons ppm 4.821 internal indirect . . . 0.251449530 water H 1 protons ppm 4.821 internal direct . . . 1.0 water N 15 protons ppm 4.821 internal 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' '3D HNCACB' '3D CBCA(CO)NH' HNCA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AT-BRD _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 3 3 LYS H H 8.611 0.003 1 2 3 3 LYS CA C 57.701 0.026 1 3 3 3 LYS CB C 32.494 0.000 1 4 3 3 LYS N N 120.334 0.020 1 5 4 4 GLU H H 8.274 0.003 1 6 4 4 GLU CA C 58.025 0.061 1 7 4 4 GLU CB C 29.723 0.000 1 8 4 4 GLU N N 121.151 0.018 1 9 5 5 ASP H H 8.347 0.003 1 10 5 5 ASP CA C 55.500 0.017 1 11 5 5 ASP CB C 40.635 0.000 1 12 5 5 ASP N N 121.779 0.023 1 13 6 6 VAL H H 8.015 0.003 1 14 6 6 VAL CA C 64.272 0.025 1 15 6 6 VAL CB C 32.288 0.000 1 16 6 6 VAL N N 120.975 0.017 1 17 7 7 GLU H H 8.122 0.004 1 18 7 7 GLU CA C 57.981 0.032 1 19 7 7 GLU CB C 29.596 0.000 1 20 7 7 GLU N N 121.621 0.019 1 21 8 8 LYS H H 8.127 0.004 1 22 8 8 LYS CA C 57.980 0.032 1 23 8 8 LYS CB C 32.655 0.000 1 24 8 8 LYS N N 120.720 0.020 1 25 9 9 ALA H H 7.967 0.004 1 26 9 9 ALA CA C 53.557 0.067 1 27 9 9 ALA CB C 18.709 0.000 1 28 9 9 ALA N N 122.499 0.018 1 29 10 10 LYS H H 7.967 0.004 1 30 10 10 LYS CA C 57.453 0.036 1 31 10 10 LYS CB C 32.868 0.000 1 32 10 10 LYS N N 119.225 0.015 1 33 11 11 LYS H H 8.004 0.005 1 34 11 11 LYS CA C 56.914 0.010 1 35 11 11 LYS CB C 32.796 0.000 1 36 11 11 LYS N N 120.855 0.020 1 37 12 12 ARG H H 8.157 0.005 1 38 12 12 ARG CA C 56.562 0.012 1 39 12 12 ARG CB C 30.661 0.000 1 40 12 12 ARG N N 121.509 0.023 1 41 13 13 ARG H H 8.328 0.004 1 42 13 13 ARG CA C 56.461 0.040 1 43 13 13 ARG CB C 30.719 0.000 1 44 13 13 ARG N N 122.138 0.020 1 45 14 14 GLY H H 8.417 0.002 1 46 14 14 GLY CA C 45.034 0.000 1 47 14 14 GLY N N 109.858 0.022 1 48 15 15 ARG H H 8.218 0.003 1 49 15 15 ARG CA C 53.954 0.057 1 50 15 15 ARG CB C 30.121 0.000 1 51 15 15 ARG N N 121.731 0.024 1 52 18 18 ALA H H 8.378 0.003 1 53 18 18 ALA CA C 52.493 0.077 1 54 18 18 ALA CB C 19.250 0.000 1 55 18 18 ALA N N 123.896 0.015 1 56 19 19 GLU H H 8.365 0.003 1 57 19 19 GLU CA C 56.514 0.038 1 58 19 19 GLU CB C 30.509 0.000 1 59 19 19 GLU N N 120.603 0.024 1 60 20 20 LYS H H 8.347 0.002 1 61 20 20 LYS CA C 56.224 0.014 1 62 20 20 LYS CB C 33.095 0.000 1 63 20 20 LYS N N 123.123 0.021 1 64 21 21 LEU H H 8.338 0.003 1 65 21 21 LEU CA C 54.506 0.058 1 66 21 21 LEU CB C 42.558 0.000 1 67 21 21 LEU N N 124.442 0.015 1 68 22 22 SER H H 8.463 0.002 1 69 22 22 SER CA C 56.337 0.051 1 70 22 22 SER CB C 62.765 0.000 1 71 22 22 SER N N 118.941 0.020 1 72 24 24 ASN H H 6.931 0.006 1 73 24 24 ASN CA C 52.299 0.000 1 74 24 24 ASN CB C 38.457 0.000 1 75 24 24 ASN N N 120.412 0.048 1 76 27 27 LYS H H 8.675 0.001 1 77 27 27 LYS CA C 59.680 0.000 1 78 27 27 LYS N N 116.819 0.025 1 79 28 28 LEU H H 7.347 0.006 1 80 28 28 LEU CA C 57.413 0.019 1 81 28 28 LEU N N 120.286 0.055 1 82 29 29 THR H H 7.649 0.005 1 83 29 29 THR CA C 68.184 0.000 1 84 29 29 THR N N 117.473 0.025 1 85 30 30 LYS H H 8.247 0.003 1 86 30 30 LYS CA C 60.027 0.012 1 87 30 30 LYS N N 119.862 0.030 1 88 31 31 GLN H H 8.075 0.006 1 89 31 31 GLN CA C 59.538 0.033 1 90 31 31 GLN CB C 29.211 0.000 1 91 31 31 GLN N N 119.940 0.038 1 92 32 32 MET H H 8.628 0.004 1 93 32 32 MET CA C 61.119 0.024 1 94 32 32 MET N N 116.603 0.035 1 95 33 33 ASN H H 8.371 0.005 1 96 33 33 ASN CA C 56.532 0.099 1 97 33 33 ASN CB C 38.678 0.000 1 98 33 33 ASN N N 115.565 0.043 1 99 34 34 ALA H H 8.337 0.010 1 100 34 34 ALA CA C 56.573 0.042 1 101 34 34 ALA N N 122.121 0.022 1 102 35 35 ILE H H 8.390 0.006 1 103 35 35 ILE CA C 65.630 0.000 1 104 35 35 ILE N N 119.690 0.030 1 105 36 36 ILE H H 8.162 0.004 1 106 36 36 ILE CA C 60.927 0.012 1 107 36 36 ILE N N 118.617 0.037 1 108 37 37 ASP H H 9.001 0.004 1 109 37 37 ASP CA C 57.864 0.000 1 110 37 37 ASP CB C 39.325 0.000 1 111 37 37 ASP N N 123.151 0.066 1 112 38 38 THR H H 7.570 0.007 1 113 38 38 THR CA C 67.001 0.000 1 114 38 38 THR N N 116.930 0.026 1 115 39 39 VAL H H 7.464 0.006 1 116 39 39 VAL CA C 66.052 0.009 1 117 39 39 VAL N N 120.560 0.044 1 118 40 40 ILE H H 8.751 0.007 1 119 40 40 ILE CA C 64.997 0.000 1 120 40 40 ILE N N 119.024 0.034 1 121 41 41 ASN H H 8.037 0.003 1 122 41 41 ASN CA C 53.895 0.000 1 123 41 41 ASN N N 113.790 0.018 1 124 42 42 TYR H H 7.070 0.002 1 125 42 42 TYR CA C 61.298 0.000 1 126 42 42 TYR N N 121.466 0.031 1 127 43 43 LYS H H 7.378 0.006 1 128 43 43 LYS CA C 53.747 0.000 1 129 43 43 LYS N N 126.952 0.069 1 130 46 46 CYS H H 8.439 0.003 1 131 46 46 CYS CA C 59.285 0.048 1 132 46 46 CYS CB C 27.865 0.000 1 133 46 46 CYS N N 119.961 0.019 1 134 47 47 ASN H H 8.612 0.003 1 135 47 47 ASN CA C 53.506 0.078 1 136 47 47 ASN CB C 38.820 0.000 1 137 47 47 ASN N N 121.090 0.014 1 138 48 48 VAL H H 8.032 0.002 1 139 48 48 VAL CA C 62.504 0.001 1 140 48 48 VAL CB C 32.680 0.000 1 141 48 48 VAL N N 119.761 0.027 1 142 49 49 GLU H H 8.437 0.002 1 143 49 49 GLU CA C 56.674 0.036 1 144 49 49 GLU CB C 30.250 0.000 1 145 49 49 GLU N N 123.637 0.018 1 146 50 50 LYS H H 8.278 0.003 1 147 50 50 LYS CA C 56.450 0.040 1 148 50 50 LYS CB C 32.826 0.000 1 149 50 50 LYS N N 122.115 0.019 1 150 51 51 VAL H H 8.118 0.003 1 151 51 51 VAL CA C 59.748 0.014 1 152 51 51 VAL CB C 32.651 0.000 1 153 51 51 VAL N N 122.096 0.021 1 154 53 53 SER H H 8.433 0.003 1 155 53 53 SER CA C 58.612 0.026 1 156 53 53 SER CB C 63.943 0.000 1 157 53 53 SER N N 115.923 0.026 1 158 54 54 ASN H H 8.475 0.008 1 159 54 54 ASN CA C 53.645 0.013 1 160 54 54 ASN CB C 38.569 0.000 1 161 54 54 ASN N N 120.138 0.033 1 162 55 55 SER H H 8.247 0.003 1 163 55 55 SER CA C 58.861 0.034 1 164 55 55 SER CB C 63.728 0.000 1 165 55 55 SER N N 115.489 0.028 1 166 56 56 GLN H H 8.362 0.004 1 167 56 56 GLN CA C 56.247 0.030 1 168 56 56 GLN CB C 29.119 0.000 1 169 56 56 GLN N N 121.768 0.017 1 170 57 57 LEU H H 8.078 0.003 1 171 57 57 LEU CA C 55.584 0.005 1 172 57 57 LEU CB C 42.471 0.000 1 173 57 57 LEU N N 121.769 0.021 1 174 58 58 GLU H H 8.303 0.002 1 175 58 58 GLU CA C 56.672 0.042 1 176 58 58 GLU CB C 30.067 0.000 1 177 58 58 GLU N N 121.477 0.027 1 178 59 59 ILE H H 8.087 0.002 1 179 59 59 ILE CA C 61.414 0.001 1 180 59 59 ILE CB C 38.851 0.000 1 181 59 59 ILE N N 121.234 0.023 1 182 60 60 GLU H H 8.465 0.003 1 183 60 60 GLU CA C 57.021 0.049 1 184 60 60 GLU CB C 30.174 0.000 1 185 60 60 GLU N N 124.247 0.018 1 186 61 61 GLY H H 8.403 0.003 1 187 61 61 GLY CA C 45.654 0.202 1 188 61 61 GLY N N 109.859 0.018 1 189 62 62 ASN H H 8.310 0.004 1 190 62 62 ASN CA C 53.296 0.073 1 191 62 62 ASN CB C 39.101 0.000 1 192 62 62 ASN N N 118.786 0.025 1 193 63 63 SER H H 8.371 0.005 1 194 63 63 SER CA C 58.564 0.074 1 195 63 63 SER CB C 63.813 0.000 1 196 63 63 SER N N 116.314 0.038 1 197 64 64 SER H H 8.324 0.005 1 198 64 64 SER CA C 58.492 0.019 1 199 64 64 SER CB C 64.029 0.000 1 200 64 64 SER N N 117.447 0.033 1 201 65 65 GLY H H 8.196 0.004 1 202 65 65 GLY CA C 44.823 0.024 1 203 65 65 GLY N N 109.456 0.029 1 204 71 71 VAL H H 8.141 0.004 1 205 71 71 VAL CA C 63.431 0.000 1 206 71 71 VAL N N 112.377 0.038 1 207 73 73 ILE H H 7.527 0.004 1 208 73 73 ILE CA C 64.963 0.000 1 209 73 73 ILE N N 122.056 0.029 1 210 74 74 GLN H H 8.210 0.002 1 211 74 74 GLN CA C 53.526 0.000 1 212 74 74 GLN N N 115.950 0.025 1 213 75 75 LEU H H 10.087 0.004 1 214 75 75 LEU CA C 53.955 0.000 1 215 75 75 LEU N N 130.983 0.033 1 216 77 77 SER H H 8.948 0.003 1 217 77 77 SER CA C 57.758 0.051 1 218 77 77 SER CB C 64.549 0.000 1 219 77 77 SER N N 118.435 0.032 1 220 78 78 ARG H H 8.639 0.004 1 221 78 78 ARG CA C 59.159 0.000 1 222 78 78 ARG N N 122.888 0.065 1 223 79 79 LYS H H 7.643 0.004 1 224 79 79 LYS CA C 57.956 0.015 1 225 79 79 LYS CB C 32.854 0.000 1 226 79 79 LYS N N 115.434 0.028 1 227 80 80 GLU H H 7.372 0.003 1 228 80 80 GLU CA C 57.727 0.015 1 229 80 80 GLU N N 117.828 0.029 1 230 81 81 LEU H H 7.906 0.004 1 231 81 81 LEU CA C 52.128 0.075 1 232 81 81 LEU CB C 43.831 0.000 1 233 81 81 LEU N N 120.641 0.030 1 234 83 83 GLU H H 10.098 0.004 1 235 83 83 GLU CA C 59.461 0.028 1 236 83 83 GLU N N 118.468 0.026 1 237 84 84 TYR H H 7.683 0.006 1 238 84 84 TYR CA C 61.874 0.045 1 239 84 84 TYR N N 120.626 0.036 1 240 85 85 TYR H H 6.892 0.007 1 241 85 85 TYR CA C 60.009 0.000 1 242 85 85 TYR N N 114.325 0.023 1 243 86 86 GLU H H 7.347 0.008 1 244 86 86 GLU CA C 57.671 0.020 1 245 86 86 GLU N N 117.853 0.028 1 246 87 87 LEU H H 6.911 0.006 1 247 87 87 LEU CA C 56.242 0.058 1 248 87 87 LEU CB C 44.370 0.000 1 249 87 87 LEU N N 118.211 0.053 1 250 88 88 ILE H H 7.994 0.008 1 251 88 88 ILE CA C 57.403 0.000 1 252 88 88 ILE N N 120.325 0.042 1 253 89 89 ARG H H 8.096 0.004 1 254 89 89 ARG CA C 57.388 0.051 1 255 89 89 ARG N N 125.045 0.033 1 256 90 90 LYS H H 8.255 0.006 1 257 90 90 LYS CA C 53.171 0.065 1 258 90 90 LYS CB C 33.180 0.000 1 259 90 90 LYS N N 118.846 0.057 1 260 92 92 VAL H H 8.834 0.007 1 261 92 92 VAL CA C 62.693 0.000 1 262 92 92 VAL N N 121.601 0.018 1 263 93 93 ASP H H 6.888 0.006 1 264 93 93 ASP CA C 52.419 0.025 1 265 93 93 ASP CB C 42.643 0.000 1 266 93 93 ASP N N 123.025 0.032 1 267 95 95 LYS H H 8.745 0.003 1 268 95 95 LYS CA C 60.939 0.036 1 269 95 95 LYS N N 122.369 0.030 1 270 96 96 LYS H H 8.921 0.007 1 271 96 96 LYS CA C 58.148 0.000 1 272 96 96 LYS N N 122.148 0.049 1 273 97 97 ILE H H 7.945 0.006 1 274 97 97 ILE CA C 64.893 0.000 1 275 97 97 ILE N N 120.197 0.022 1 276 98 98 LYS H H 8.633 0.005 1 277 98 98 LYS CA C 60.464 0.061 1 278 98 98 LYS N N 118.353 0.023 1 279 99 99 GLU H H 8.005 0.006 1 280 99 99 GLU CA C 59.643 0.058 1 281 99 99 GLU CB C 32.523 0.000 1 282 99 99 GLU N N 122.490 0.058 1 283 100 100 ARG H H 8.483 0.004 1 284 100 100 ARG CA C 59.980 0.032 1 285 100 100 ARG N N 121.114 0.020 1 286 101 101 ILE H H 8.145 0.006 1 287 101 101 ILE CA C 66.186 0.039 1 288 101 101 ILE N N 119.398 0.018 1 289 102 102 ARG H H 7.899 0.006 1 290 102 102 ARG CA C 59.078 0.034 1 291 102 102 ARG CB C 30.396 0.000 1 292 102 102 ARG N N 121.458 0.023 1 293 103 103 ASN H H 7.991 0.004 1 294 103 103 ASN CA C 52.451 0.068 1 295 103 103 ASN CB C 38.171 0.000 1 296 103 103 ASN N N 113.104 0.039 1 297 104 104 HIS H H 7.372 0.004 1 298 104 104 HIS CA C 56.777 0.088 1 299 104 104 HIS N N 113.034 0.042 1 300 105 105 LYS H H 8.382 0.003 1 301 105 105 LYS CA C 57.791 0.027 1 302 105 105 LYS N N 117.102 0.040 1 303 106 106 TYR H H 6.378 0.008 1 304 106 106 TYR CA C 54.911 0.054 1 305 106 106 TYR CB C 39.251 0.000 1 306 106 106 TYR N N 115.158 0.022 1 307 107 107 ARG H H 9.894 0.006 1 308 107 107 ARG CA C 53.008 0.042 1 309 107 107 ARG N N 120.929 0.053 1 310 108 108 SER H H 7.817 0.005 1 311 108 108 SER CA C 56.436 0.002 1 312 108 108 SER N N 110.638 0.024 1 313 111 111 ASP H H 7.693 0.009 1 314 111 111 ASP CB C 41.000 0.000 1 315 111 111 ASP N N 123.052 0.049 1 316 112 112 LEU H H 6.702 0.004 1 317 112 112 LEU CA C 57.284 0.052 1 318 112 112 LEU N N 120.803 0.030 1 319 113 113 GLU H H 8.451 0.006 1 320 113 113 GLU CA C 59.651 0.094 1 321 113 113 GLU N N 118.367 0.047 1 322 114 114 LYS H H 7.715 0.005 1 323 114 114 LYS CA C 60.201 0.034 1 324 114 114 LYS N N 116.868 0.041 1 325 115 115 ASP H H 6.861 0.005 1 326 115 115 ASP CA C 56.282 0.029 1 327 115 115 ASP CB C 40.380 0.000 1 328 115 115 ASP N N 119.639 0.028 1 329 116 116 VAL H H 7.630 0.005 1 330 116 116 VAL CA C 66.559 0.000 1 331 116 116 VAL N N 120.652 0.034 1 332 117 117 MET H H 8.715 0.007 1 333 117 117 MET CA C 57.084 0.054 1 334 117 117 MET N N 117.363 0.031 1 335 118 118 LEU H H 7.710 0.009 1 336 118 118 LEU CA C 58.252 0.068 1 337 118 118 LEU CB C 41.209 0.000 1 338 118 118 LEU N N 123.270 0.057 1 339 119 119 LEU H H 7.831 0.004 1 340 119 119 LEU CA C 60.427 0.042 1 341 119 119 LEU N N 121.554 0.025 1 342 120 120 CYS H H 7.839 0.010 1 343 120 120 CYS CA C 64.497 0.032 1 344 120 120 CYS N N 119.219 0.018 1 345 121 121 HIS H H 9.039 0.004 1 346 121 121 HIS CA C 59.463 0.000 1 347 121 121 HIS N N 121.558 0.057 1 348 122 122 ASN H H 9.414 0.004 1 349 122 122 ASN CA C 55.457 0.079 1 350 122 122 ASN CB C 37.398 0.000 1 351 122 122 ASN N N 121.229 0.036 1 352 123 123 ALA H H 7.476 0.004 1 353 123 123 ALA CA C 55.444 0.090 1 354 123 123 ALA N N 123.012 0.022 1 355 124 124 GLN H H 7.725 0.006 1 356 124 124 GLN CA C 57.019 0.000 1 357 124 124 GLN N N 117.120 0.041 1 358 125 125 THR H H 7.822 0.007 1 359 125 125 THR CA C 64.803 0.044 1 360 125 125 THR N N 115.465 0.024 1 361 126 126 PHE H H 8.074 0.004 1 362 126 126 PHE CA C 60.684 0.000 1 363 126 126 PHE N N 118.647 0.038 1 364 127 127 ASN H H 7.482 0.006 1 365 127 127 ASN CA C 52.390 0.071 1 366 127 127 ASN CB C 41.157 0.000 1 367 127 127 ASN N N 113.357 0.027 1 368 128 128 LEU H H 8.435 0.004 1 369 128 128 LEU CA C 54.750 0.048 1 370 128 128 LEU N N 118.220 0.033 1 371 129 129 GLU H H 8.645 0.005 1 372 129 129 GLU CA C 57.714 0.011 1 373 129 129 GLU CB C 28.906 0.000 1 374 129 129 GLU N N 125.304 0.035 1 375 130 130 GLY H H 7.429 0.003 1 376 130 130 GLY CA C 57.691 0.000 1 377 130 130 GLY N N 113.541 0.032 1 378 131 131 SER H H 8.062 0.003 1 379 131 131 SER CA C 58.427 0.014 1 380 131 131 SER N N 116.421 0.032 1 381 132 132 GLN H H 8.972 0.006 1 382 132 132 GLN CA C 59.435 0.018 1 383 132 132 GLN N N 123.895 0.050 1 384 133 133 ILE H H 8.464 0.004 1 385 133 133 ILE CA C 65.622 0.000 1 386 133 133 ILE N N 116.601 0.034 1 387 134 134 TYR H H 7.166 0.004 1 388 134 134 TYR CA C 62.073 0.000 1 389 134 134 TYR N N 120.168 0.026 1 390 135 135 GLU H H 8.810 0.002 1 391 135 135 GLU CA C 59.579 0.015 1 392 135 135 GLU N N 120.002 0.030 1 393 136 136 ASP H H 9.432 0.008 1 394 136 136 ASP CA C 57.634 0.007 1 395 136 136 ASP N N 122.106 0.050 1 396 137 137 SER H H 8.273 0.002 1 397 137 137 SER N N 116.319 0.027 1 398 138 138 ILE H H 7.198 0.005 1 399 138 138 ILE CA C 63.819 0.000 1 400 138 138 ILE N N 125.115 0.027 1 401 139 139 VAL H H 7.582 0.004 1 402 139 139 VAL CA C 66.524 0.000 1 403 139 139 VAL N N 122.027 0.021 1 404 140 140 LEU H H 8.471 0.005 1 405 140 140 LEU CA C 58.366 0.015 1 406 140 140 LEU N N 118.190 0.018 1 407 141 141 GLN H H 7.652 0.007 1 408 141 141 GLN CA C 60.258 0.014 1 409 141 141 GLN N N 117.927 0.045 1 410 142 142 SER H H 7.362 0.007 1 411 142 142 SER CA C 61.506 0.089 1 412 142 142 SER N N 115.085 0.034 1 413 143 143 VAL H H 8.603 0.005 1 414 143 143 VAL CA C 66.062 0.000 1 415 143 143 VAL N N 125.210 0.057 1 416 144 144 PHE H H 8.543 0.004 1 417 144 144 PHE CA C 62.739 0.000 1 418 144 144 PHE N N 119.441 0.034 1 419 145 145 LYS H H 7.862 0.005 1 420 145 145 LYS CA C 60.309 0.019 1 421 145 145 LYS N N 118.577 0.032 1 422 146 146 SER H H 8.217 0.004 1 423 146 146 SER CA C 61.324 0.102 1 424 146 146 SER CB C 62.699 0.000 1 425 146 146 SER N N 114.805 0.046 1 426 147 147 ALA H H 8.402 0.004 1 427 147 147 ALA CA C 54.912 0.055 1 428 147 147 ALA CB C 18.478 0.000 1 429 147 147 ALA N N 124.799 0.043 1 430 148 148 ARG H H 8.440 0.005 1 431 148 148 ARG CA C 59.484 0.066 1 432 148 148 ARG N N 117.712 0.039 1 433 149 149 GLN H H 7.602 0.003 1 434 149 149 GLN CA C 58.205 0.020 1 435 149 149 GLN CB C 28.611 0.000 1 436 149 149 GLN N N 116.589 0.030 1 437 150 150 LYS H H 7.547 0.004 1 438 150 150 LYS CA C 58.196 0.023 1 439 150 150 LYS CB C 33.321 0.000 1 440 150 150 LYS N N 117.090 0.023 1 441 151 151 ILE H H 7.823 0.005 1 442 151 151 ILE CA C 61.987 0.052 1 443 151 151 ILE CB C 38.285 0.000 1 444 151 151 ILE N N 118.038 0.051 1 445 152 152 ALA H H 8.028 0.003 1 446 152 152 ALA CA C 52.255 0.090 1 447 152 152 ALA CB C 19.536 0.000 1 448 152 152 ALA N N 124.751 0.029 1 449 153 153 LYS H H 7.495 0.003 1 450 153 153 LYS CA C 58.016 0.027 1 451 153 153 LYS CB C 33.499 0.000 1 452 153 153 LYS N N 125.646 0.021 1 stop_ save_