data_27135 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N and 13C assignments of the Sec63 unit of human Brr2 ; _BMRB_accession_number 27135 _BMRB_flat_file_name bmr27135.str _Entry_type original _Submission_date 2017-06-12 _Accession_date 2017-06-12 _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 Henning Lisa M. . 2 Sticht Jana . . 3 Freund Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 231 "13C chemical shifts" 436 "15N chemical shifts" 231 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-03 update BMRB 'update entry citation' 2017-06-14 original author 'original release' stop_ _Original_release_date 2017-06-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A new role for FBP21 as regulator of Brr2 helicase activity. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28838205 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Henning Lisa M. . 2 Santos Karine F. . 3 Sticht Jana . . 4 Jehle Stefanie . . 5 Lee Chung-Tien . . 6 Wittwer Malte . . 7 Urlaub Henning . . 8 Stelzl Ulrich . . 9 Wahl Markus C. . 10 Freund Christian . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 45 _Journal_issue 13 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7922 _Page_last 7937 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Brr2 C-terminal Sec63 unit' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sec63 $Brr2_C-terminal_Sec63_unit 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_Brr2_C-terminal_Sec63_unit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Brr2_C-terminal_Sec63_unit _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'pre-mRNA splicing; helicase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 305 _Mol_residue_sequence ; GPLGSPEFTKVRGLIEIISN AAEYENIPIRHHEDNLLRQL AQKVPHKLNNPKFNDPHVKT NLLLQAHLSRMQLSAELQSD TEEILSKAIRLIQACVDVLS SNGWLSPALAAMELAQMVTQ AMWSKDSYLKQLPHFTSEHI KRCTDKGVESVFDIMEMEDE ERNALLQLTDSQIADVARFC NRYPNIELSYEVVDKDSIRS GGPVVVLVQLEREEEVTGPV IAPLFPQKREEGWWVVIGDA KSNSLISIKRLTLQQKAKVK LDFVAPATGAHNYTLYFMSD AYMGCDQEYKFSVDVKEAET DSDSD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLY 5 5 SER 6 6 PRO 7 7 GLU 8 8 PHE 9 9 THR 10 10 LYS 11 11 VAL 12 12 ARG 13 13 GLY 14 14 LEU 15 15 ILE 16 16 GLU 17 17 ILE 18 18 ILE 19 19 SER 20 20 ASN 21 21 ALA 22 22 ALA 23 23 GLU 24 24 TYR 25 25 GLU 26 26 ASN 27 27 ILE 28 28 PRO 29 29 ILE 30 30 ARG 31 31 HIS 32 32 HIS 33 33 GLU 34 34 ASP 35 35 ASN 36 36 LEU 37 37 LEU 38 38 ARG 39 39 GLN 40 40 LEU 41 41 ALA 42 42 GLN 43 43 LYS 44 44 VAL 45 45 PRO 46 46 HIS 47 47 LYS 48 48 LEU 49 49 ASN 50 50 ASN 51 51 PRO 52 52 LYS 53 53 PHE 54 54 ASN 55 55 ASP 56 56 PRO 57 57 HIS 58 58 VAL 59 59 LYS 60 60 THR 61 61 ASN 62 62 LEU 63 63 LEU 64 64 LEU 65 65 GLN 66 66 ALA 67 67 HIS 68 68 LEU 69 69 SER 70 70 ARG 71 71 MET 72 72 GLN 73 73 LEU 74 74 SER 75 75 ALA 76 76 GLU 77 77 LEU 78 78 GLN 79 79 SER 80 80 ASP 81 81 THR 82 82 GLU 83 83 GLU 84 84 ILE 85 85 LEU 86 86 SER 87 87 LYS 88 88 ALA 89 89 ILE 90 90 ARG 91 91 LEU 92 92 ILE 93 93 GLN 94 94 ALA 95 95 CYS 96 96 VAL 97 97 ASP 98 98 VAL 99 99 LEU 100 100 SER 101 101 SER 102 102 ASN 103 103 GLY 104 104 TRP 105 105 LEU 106 106 SER 107 107 PRO 108 108 ALA 109 109 LEU 110 110 ALA 111 111 ALA 112 112 MET 113 113 GLU 114 114 LEU 115 115 ALA 116 116 GLN 117 117 MET 118 118 VAL 119 119 THR 120 120 GLN 121 121 ALA 122 122 MET 123 123 TRP 124 124 SER 125 125 LYS 126 126 ASP 127 127 SER 128 128 TYR 129 129 LEU 130 130 LYS 131 131 GLN 132 132 LEU 133 133 PRO 134 134 HIS 135 135 PHE 136 136 THR 137 137 SER 138 138 GLU 139 139 HIS 140 140 ILE 141 141 LYS 142 142 ARG 143 143 CYS 144 144 THR 145 145 ASP 146 146 LYS 147 147 GLY 148 148 VAL 149 149 GLU 150 150 SER 151 151 VAL 152 152 PHE 153 153 ASP 154 154 ILE 155 155 MET 156 156 GLU 157 157 MET 158 158 GLU 159 159 ASP 160 160 GLU 161 161 GLU 162 162 ARG 163 163 ASN 164 164 ALA 165 165 LEU 166 166 LEU 167 167 GLN 168 168 LEU 169 169 THR 170 170 ASP 171 171 SER 172 172 GLN 173 173 ILE 174 174 ALA 175 175 ASP 176 176 VAL 177 177 ALA 178 178 ARG 179 179 PHE 180 180 CYS 181 181 ASN 182 182 ARG 183 183 TYR 184 184 PRO 185 185 ASN 186 186 ILE 187 187 GLU 188 188 LEU 189 189 SER 190 190 TYR 191 191 GLU 192 192 VAL 193 193 VAL 194 194 ASP 195 195 LYS 196 196 ASP 197 197 SER 198 198 ILE 199 199 ARG 200 200 SER 201 201 GLY 202 202 GLY 203 203 PRO 204 204 VAL 205 205 VAL 206 206 VAL 207 207 LEU 208 208 VAL 209 209 GLN 210 210 LEU 211 211 GLU 212 212 ARG 213 213 GLU 214 214 GLU 215 215 GLU 216 216 VAL 217 217 THR 218 218 GLY 219 219 PRO 220 220 VAL 221 221 ILE 222 222 ALA 223 223 PRO 224 224 LEU 225 225 PHE 226 226 PRO 227 227 GLN 228 228 LYS 229 229 ARG 230 230 GLU 231 231 GLU 232 232 GLY 233 233 TRP 234 234 TRP 235 235 VAL 236 236 VAL 237 237 ILE 238 238 GLY 239 239 ASP 240 240 ALA 241 241 LYS 242 242 SER 243 243 ASN 244 244 SER 245 245 LEU 246 246 ILE 247 247 SER 248 248 ILE 249 249 LYS 250 250 ARG 251 251 LEU 252 252 THR 253 253 LEU 254 254 GLN 255 255 GLN 256 256 LYS 257 257 ALA 258 258 LYS 259 259 VAL 260 260 LYS 261 261 LEU 262 262 ASP 263 263 PHE 264 264 VAL 265 265 ALA 266 266 PRO 267 267 ALA 268 268 THR 269 269 GLY 270 270 ALA 271 271 HIS 272 272 ASN 273 273 TYR 274 274 THR 275 275 LEU 276 276 TYR 277 277 PHE 278 278 MET 279 279 SER 280 280 ASP 281 281 ALA 282 282 TYR 283 283 MET 284 284 GLY 285 285 CYS 286 286 ASP 287 287 GLN 288 288 GLU 289 289 TYR 290 290 LYS 291 291 PHE 292 292 SER 293 293 VAL 294 294 ASP 295 295 VAL 296 296 LYS 297 297 GLU 298 298 ALA 299 299 GLU 300 300 THR 301 301 ASP 302 302 SER 303 303 ASP 304 304 SER 305 305 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Brr2_C-terminal_Sec63_unit 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 $Brr2_C-terminal_Sec63_unit 'recombinant technology' . Escherichia coli 'BL21 DE3' pGex6p 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 $Brr2_C-terminal_Sec63_unit 0.2-0.7 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_Leu _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Brr2_C-terminal_Sec63_unit 480 uM [U-15N]-Leu 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_Ala _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Brr2_C-terminal_Sec63_unit 140 uM [U-15N]-Ala 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_Val _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Brr2_C-terminal_Sec63_unit 130 uM [U-15N]-Val 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_Ile _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Brr2_C-terminal_Sec63_unit 100 uM [U-15N]-Ile 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_Trp-Phe _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Brr2_C-terminal_Sec63_unit 130 uM '[U-15N]-Trp, [U-15N]-Phe' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_Tyr-Phe _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Brr2_C-terminal_Sec63_unit 530 uM '[U-15N]-Tyr, [U-15N]-Phe' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_Gly _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Brr2_C-terminal_Sec63_unit 100 uM [U-15N]-Gly 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Leu save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Ala save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Val save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Ile save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Trp-Phe save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Tyr-Phe save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_Gly save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.1 . M pH 7.0 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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 HNCA' '3D HN(CO)CA' '3D HNCO' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_Leu $sample_Ala $sample_Val $sample_Ile $sample_Trp-Phe $sample_Tyr-Phe $sample_Gly stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Sec63 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO C C 177.145 0.016 1 2 3 3 LEU H H 8.507 0.002 1 3 3 3 LEU C C 177.869 0.000 1 4 3 3 LEU CA C 55.084 0.000 1 5 3 3 LEU N N 122.266 0.054 1 6 4 4 GLY H H 8.341 0.004 1 7 4 4 GLY C C 171.786 0.000 1 8 4 4 GLY CA C 44.733 0.000 1 9 4 4 GLY N N 109.694 0.120 1 10 13 13 GLY H H 7.694 0.013 1 11 13 13 GLY N N 106.801 0.119 1 12 14 14 LEU H H 7.947 0.006 1 13 14 14 LEU C C 178.708 0.000 1 14 14 14 LEU N N 123.134 0.061 1 15 15 15 ILE H H 8.373 0.008 1 16 15 15 ILE C C 178.161 0.000 1 17 15 15 ILE CA C 65.933 0.000 1 18 15 15 ILE N N 118.869 0.035 1 19 19 19 SER H H 8.470 0.019 1 20 19 19 SER CA C 61.989 0.000 1 21 19 19 SER N N 113.862 0.135 1 22 20 20 ASN H H 7.931 0.005 1 23 20 20 ASN C C 174.288 0.043 1 24 20 20 ASN CA C 53.355 0.052 1 25 20 20 ASN N N 119.479 0.033 1 26 21 21 ALA H H 7.967 0.015 1 27 21 21 ALA C C 179.338 0.041 1 28 21 21 ALA CA C 53.342 0.000 1 29 21 21 ALA N N 125.250 0.099 1 30 22 22 ALA H H 8.945 0.009 1 31 22 22 ALA C C 180.413 0.005 1 32 22 22 ALA CA C 54.760 0.014 1 33 22 22 ALA N N 126.966 0.056 1 34 23 23 GLU H H 9.313 0.006 1 35 23 23 GLU C C 177.582 0.130 1 36 23 23 GLU CA C 59.107 0.009 1 37 23 23 GLU N N 117.709 0.049 1 38 24 24 TYR H H 7.866 0.003 1 39 24 24 TYR C C 175.557 0.030 1 40 24 24 TYR CA C 56.184 0.031 1 41 24 24 TYR N N 117.250 0.054 1 42 25 25 GLU H H 7.955 0.014 1 43 25 25 GLU C C 175.782 0.012 1 44 25 25 GLU CA C 58.020 0.022 1 45 25 25 GLU N N 118.397 0.113 1 46 26 26 ASN H H 7.774 0.017 1 47 26 26 ASN C C 175.748 0.068 1 48 26 26 ASN CA C 52.036 0.000 1 49 26 26 ASN N N 111.869 0.127 1 50 27 27 ILE H H 6.982 0.012 1 51 27 27 ILE C C 173.831 0.000 1 52 27 27 ILE CA C 56.717 0.000 1 53 27 27 ILE N N 124.563 0.043 1 54 35 35 ASN C C 177.724 0.002 1 55 36 36 LEU H H 7.523 0.018 1 56 36 36 LEU C C 180.598 0.037 1 57 36 36 LEU CA C 57.314 0.021 1 58 36 36 LEU N N 120.957 0.212 1 59 37 37 LEU H H 8.511 0.006 1 60 37 37 LEU C C 178.318 0.042 1 61 37 37 LEU N N 119.941 0.067 1 62 38 38 ARG H H 7.889 0.012 1 63 38 38 ARG C C 179.674 0.007 1 64 38 38 ARG CA C 59.112 0.000 1 65 38 38 ARG N N 119.631 0.060 1 66 39 39 GLN H H 7.606 0.015 1 67 39 39 GLN C C 179.593 0.074 1 68 39 39 GLN CA C 58.267 0.000 1 69 39 39 GLN N N 117.886 0.031 1 70 40 40 LEU C C 179.305 0.023 1 71 41 41 ALA H H 8.601 0.004 1 72 41 41 ALA C C 178.878 0.015 1 73 41 41 ALA CA C 54.171 0.050 1 74 41 41 ALA N N 119.533 0.035 1 75 42 42 GLN H H 7.283 0.009 1 76 42 42 GLN C C 177.030 0.000 1 77 42 42 GLN CA C 56.126 0.000 1 78 42 42 GLN N N 112.606 0.135 1 79 45 45 PRO C C 177.540 0.001 1 80 46 46 HIS H H 8.710 0.003 1 81 46 46 HIS C C 175.062 0.052 1 82 46 46 HIS CA C 53.856 0.054 1 83 46 46 HIS N N 117.095 0.072 1 84 47 47 LYS H H 8.406 0.003 1 85 47 47 LYS C C 177.287 0.014 1 86 47 47 LYS CA C 55.804 0.017 1 87 47 47 LYS N N 123.836 0.078 1 88 48 48 LEU H H 8.820 0.003 1 89 48 48 LEU C C 176.750 0.000 1 90 48 48 LEU CA C 54.022 0.000 1 91 48 48 LEU N N 125.079 0.037 1 92 51 51 PRO C C 175.975 0.020 1 93 52 52 LYS H H 7.534 0.005 1 94 52 52 LYS C C 176.300 0.004 1 95 52 52 LYS CA C 54.389 0.019 1 96 52 52 LYS N N 121.117 0.029 1 97 53 53 PHE H H 8.330 0.003 1 98 53 53 PHE C C 174.072 0.004 1 99 53 53 PHE CA C 60.721 0.001 1 100 53 53 PHE N N 120.490 0.022 1 101 54 54 ASN H H 7.961 0.014 1 102 54 54 ASN C C 173.333 0.030 1 103 54 54 ASN CA C 51.462 0.002 1 104 54 54 ASN N N 114.080 0.137 1 105 55 55 ASP H H 7.378 0.006 1 106 55 55 ASP C C 175.666 0.000 1 107 55 55 ASP CA C 50.213 0.000 1 108 55 55 ASP N N 120.985 0.046 1 109 56 56 PRO CA C 64.585 0.000 1 110 57 57 HIS H H 8.952 0.005 1 111 57 57 HIS C C 177.652 0.003 1 112 57 57 HIS CA C 58.525 0.000 1 113 57 57 HIS N N 120.820 0.127 1 114 58 58 VAL H H 7.618 0.015 1 115 58 58 VAL C C 177.641 0.050 1 116 58 58 VAL CA C 65.690 0.000 1 117 58 58 VAL N N 123.968 0.093 1 118 59 59 LYS H H 7.850 0.004 1 119 59 59 LYS C C 177.122 0.000 1 120 59 59 LYS CA C 60.330 0.000 1 121 59 59 LYS N N 118.430 0.081 1 122 64 64 LEU C C 179.262 0.000 1 123 65 65 GLN H H 8.698 0.005 1 124 65 65 GLN C C 179.312 0.003 1 125 65 65 GLN CA C 61.412 0.000 1 126 65 65 GLN N N 116.572 0.099 1 127 66 66 ALA H H 9.193 0.020 1 128 66 66 ALA C C 179.167 0.012 1 129 66 66 ALA CA C 55.079 0.000 1 130 66 66 ALA N N 122.693 0.072 1 131 67 67 HIS H H 8.129 0.003 1 132 67 67 HIS C C 179.129 0.098 1 133 67 67 HIS CA C 58.989 0.000 1 134 67 67 HIS N N 119.461 0.079 1 135 68 68 LEU H H 7.756 0.005 1 136 68 68 LEU C C 176.615 0.075 1 137 68 68 LEU CA C 57.186 0.000 1 138 68 68 LEU N N 119.329 0.063 1 139 69 69 SER H H 7.614 0.015 1 140 69 69 SER C C 172.853 0.000 1 141 69 69 SER CA C 59.088 0.000 1 142 69 69 SER N N 108.998 0.164 1 143 70 70 ARG H H 8.078 0.006 1 144 70 70 ARG C C 176.091 0.020 1 145 70 70 ARG CA C 56.773 0.000 1 146 70 70 ARG N N 119.289 0.032 1 147 71 71 MET H H 8.263 0.017 1 148 71 71 MET C C 175.495 0.000 1 149 71 71 MET CA C 55.763 0.000 1 150 71 71 MET N N 117.680 0.181 1 151 72 72 GLN H H 8.538 0.004 1 152 72 72 GLN C C 175.706 0.024 1 153 72 72 GLN CA C 55.628 0.000 1 154 72 72 GLN N N 122.817 0.031 1 155 73 73 LEU H H 8.788 0.004 1 156 73 73 LEU C C 176.888 0.027 1 157 73 73 LEU CA C 52.816 0.009 1 158 73 73 LEU N N 126.604 0.093 1 159 74 74 SER H H 7.459 0.002 1 160 74 74 SER C C 174.278 0.022 1 161 74 74 SER CA C 57.166 0.004 1 162 74 74 SER CB C 63.861 0.000 1 163 74 74 SER N N 114.564 0.051 1 164 75 75 ALA H H 8.882 0.024 1 165 75 75 ALA C C 181.102 0.031 1 166 75 75 ALA CA C 55.536 0.008 1 167 75 75 ALA N N 123.461 0.188 1 168 76 76 GLU H H 8.898 0.004 1 169 76 76 GLU C C 178.594 0.012 1 170 76 76 GLU CA C 59.776 0.005 1 171 76 76 GLU N N 118.044 0.073 1 172 77 77 LEU H H 7.446 0.010 1 173 77 77 LEU C C 181.365 0.041 1 174 77 77 LEU CA C 56.741 0.090 1 175 77 77 LEU N N 118.327 0.064 1 176 78 78 GLN H H 9.030 0.004 1 177 78 78 GLN C C 178.784 0.037 1 178 78 78 GLN CA C 58.847 0.012 1 179 78 78 GLN N N 124.729 0.071 1 180 79 79 SER H H 8.017 0.007 1 181 79 79 SER CA C 61.630 0.000 1 182 79 79 SER N N 117.074 0.124 1 183 82 82 GLU C C 179.162 0.032 1 184 83 83 GLU H H 7.686 0.005 1 185 83 83 GLU C C 180.282 0.021 1 186 83 83 GLU CA C 58.967 0.000 1 187 83 83 GLU N N 120.998 0.041 1 188 84 84 ILE H H 8.481 0.008 1 189 84 84 ILE C C 180.958 0.069 1 190 84 84 ILE CA C 64.392 0.000 1 191 84 84 ILE N N 121.460 0.095 1 192 85 85 LEU H H 9.117 0.011 1 193 85 85 LEU C C 178.334 0.000 1 194 85 85 LEU CA C 57.105 0.000 1 195 85 85 LEU N N 121.437 0.082 1 196 86 86 SER H H 7.925 0.010 1 197 86 86 SER CA C 61.410 0.000 1 198 86 86 SER N N 113.969 0.069 1 199 99 99 LEU H H 8.835 0.003 1 200 99 99 LEU C C 179.834 0.000 1 201 99 99 LEU CA C 58.027 0.000 1 202 99 99 LEU N N 120.903 0.077 1 203 100 100 SER H H 8.880 0.003 1 204 100 100 SER CA C 61.670 0.000 1 205 100 100 SER N N 113.658 0.064 1 206 103 103 GLY H H 7.731 0.007 1 207 103 103 GLY C C 175.370 0.048 1 208 103 103 GLY CA C 45.480 0.000 1 209 103 103 GLY N N 106.316 0.146 1 210 104 104 TRP H H 7.561 0.004 1 211 104 104 TRP HE1 H 10.280 0.005 1 212 104 104 TRP C C 174.582 0.019 1 213 104 104 TRP CA C 54.475 0.016 1 214 104 104 TRP N N 124.101 0.035 1 215 104 104 TRP NE1 N 129.947 0.045 1 216 105 105 LEU H H 7.487 0.007 1 217 105 105 LEU C C 176.599 0.040 1 218 105 105 LEU CA C 58.528 0.028 1 219 105 105 LEU N N 125.458 0.058 1 220 106 106 SER H H 9.454 0.005 1 221 106 106 SER C C 176.005 0.000 1 222 106 106 SER CA C 63.624 0.000 1 223 106 106 SER N N 113.949 0.064 1 224 107 107 PRO C C 177.343 0.000 1 225 107 107 PRO CA C 65.302 0.000 1 226 108 108 ALA H H 6.990 0.007 1 227 108 108 ALA C C 178.900 0.000 1 228 108 108 ALA CA C 55.598 0.000 1 229 108 108 ALA N N 118.930 0.052 1 230 109 109 LEU H H 8.043 0.011 1 231 109 109 LEU C C 179.852 0.000 1 232 109 109 LEU CA C 57.261 0.000 1 233 109 109 LEU N N 116.132 0.065 1 234 110 110 ALA H H 7.901 0.014 1 235 110 110 ALA CA C 54.118 0.000 1 236 110 110 ALA N N 120.771 0.161 1 237 115 115 ALA H H 7.837 0.004 1 238 115 115 ALA C C 179.773 0.000 1 239 115 115 ALA CA C 55.793 0.000 1 240 115 115 ALA N N 121.871 0.057 1 241 116 116 GLN H H 7.362 0.005 1 242 116 116 GLN C C 179.006 0.000 1 243 116 116 GLN CA C 58.435 0.000 1 244 116 116 GLN N N 119.576 0.045 1 245 117 117 MET H H 8.537 0.011 1 246 117 117 MET C C 179.473 0.000 1 247 117 117 MET CA C 59.095 0.000 1 248 117 117 MET N N 118.032 0.104 1 249 118 118 VAL H H 8.791 0.005 1 250 118 118 VAL CA C 65.494 0.000 1 251 118 118 VAL N N 114.703 0.135 1 252 122 122 MET H H 7.938 0.014 1 253 122 122 MET C C 173.059 0.000 1 254 122 122 MET CA C 54.739 0.000 1 255 122 122 MET N N 116.816 0.095 1 256 123 123 TRP H H 8.506 0.006 1 257 123 123 TRP HE1 H 10.124 0.010 1 258 123 123 TRP C C 178.008 0.002 1 259 123 123 TRP CA C 56.077 0.044 1 260 123 123 TRP N N 116.176 0.120 1 261 123 123 TRP NE1 N 130.073 0.057 1 262 124 124 SER H H 7.738 0.010 1 263 124 124 SER CA C 60.789 0.011 1 264 124 124 SER N N 113.767 0.094 1 265 125 125 LYS H H 7.861 0.005 1 266 125 125 LYS CA C 55.662 0.032 1 267 125 125 LYS N N 116.456 0.056 1 268 126 126 ASP H H 7.621 0.004 1 269 126 126 ASP C C 175.568 0.001 1 270 126 126 ASP CA C 54.228 0.012 1 271 126 126 ASP N N 121.544 0.021 1 272 127 127 SER H H 8.397 0.004 1 273 127 127 SER C C 177.906 0.007 1 274 127 127 SER CA C 57.458 0.077 1 275 127 127 SER CB C 63.392 0.000 1 276 127 127 SER N N 112.214 0.090 1 277 128 128 TYR H H 8.688 0.005 1 278 128 128 TYR C C 178.756 0.000 1 279 128 128 TYR CA C 58.291 0.000 1 280 128 128 TYR N N 126.848 0.071 1 281 129 129 LEU H H 8.425 0.011 1 282 129 129 LEU C C 177.140 0.036 1 283 129 129 LEU CA C 55.491 0.002 1 284 129 129 LEU N N 116.321 0.046 1 285 130 130 LYS H H 7.980 0.014 1 286 130 130 LYS C C 177.101 0.000 1 287 130 130 LYS CA C 57.709 0.000 1 288 130 130 LYS N N 116.940 0.068 1 289 131 131 GLN H H 7.130 0.012 1 290 131 131 GLN C C 175.034 0.037 1 291 131 131 GLN CA C 56.963 0.040 1 292 131 131 GLN N N 114.664 0.073 1 293 132 132 LEU H H 7.078 0.005 1 294 132 132 LEU C C 174.447 0.000 1 295 132 132 LEU CA C 52.400 0.000 1 296 132 132 LEU N N 117.114 0.054 1 297 133 133 PRO C C 174.825 0.000 1 298 133 133 PRO CA C 62.211 0.000 1 299 134 134 HIS H H 7.920 0.006 1 300 134 134 HIS C C 174.949 0.000 1 301 134 134 HIS CA C 57.704 0.000 1 302 134 134 HIS N N 108.202 0.085 1 303 135 135 PHE H H 7.470 0.008 1 304 135 135 PHE C C 177.443 0.000 1 305 135 135 PHE CA C 59.084 0.000 1 306 135 135 PHE N N 121.360 0.063 1 307 136 136 THR H H 9.521 0.006 1 308 136 136 THR C C 176.115 0.000 1 309 136 136 THR CA C 60.245 0.000 1 310 136 136 THR N N 119.993 0.041 1 311 139 139 HIS H H 7.453 0.005 1 312 139 139 HIS C C 178.301 0.000 1 313 139 139 HIS CA C 61.804 0.000 1 314 139 139 HIS N N 119.357 0.135 1 315 140 140 ILE H H 8.169 0.002 1 316 140 140 ILE CA C 65.784 0.000 1 317 140 140 ILE N N 118.989 0.020 1 318 143 143 CYS H H 8.119 0.015 1 319 143 143 CYS C C 177.542 0.024 1 320 143 143 CYS CA C 64.747 0.025 1 321 143 143 CYS N N 115.750 0.073 1 322 144 144 THR H H 9.113 0.009 1 323 144 144 THR CA C 66.784 0.000 1 324 144 144 THR N N 118.714 0.116 1 325 145 145 ASP H H 8.626 0.017 1 326 145 145 ASP N N 123.739 0.200 1 327 147 147 GLY H H 8.019 0.005 1 328 147 147 GLY C C 173.940 0.007 1 329 147 147 GLY CA C 45.503 0.005 1 330 147 147 GLY N N 108.199 0.111 1 331 148 148 VAL H H 8.175 0.029 1 332 148 148 VAL C C 174.188 0.009 1 333 148 148 VAL CA C 62.132 0.047 1 334 148 148 VAL N N 124.094 0.213 1 335 149 149 GLU H H 9.020 0.013 1 336 149 149 GLU C C 175.742 0.016 1 337 149 149 GLU CA C 55.965 0.041 1 338 149 149 GLU N N 123.442 0.100 1 339 150 150 SER H H 8.550 0.003 1 340 150 150 SER C C 174.737 0.010 1 341 150 150 SER CA C 55.501 0.050 1 342 150 150 SER N N 114.919 0.056 1 343 151 151 VAL H H 9.075 0.006 1 344 151 151 VAL C C 178.167 0.004 1 345 151 151 VAL CA C 66.006 0.016 1 346 151 151 VAL N N 122.065 0.073 1 347 152 152 PHE H H 7.083 0.017 1 348 152 152 PHE C C 178.088 0.000 1 349 152 152 PHE CA C 60.296 0.000 1 350 152 152 PHE N N 115.967 0.046 1 351 153 153 ASP H H 7.959 0.009 1 352 153 153 ASP C C 179.506 0.000 1 353 153 153 ASP CA C 57.066 0.000 1 354 153 153 ASP N N 118.435 0.023 1 355 154 154 ILE H H 7.313 0.016 1 356 154 154 ILE C C 178.814 0.000 1 357 154 154 ILE CA C 61.933 0.000 1 358 154 154 ILE N N 119.181 0.017 1 359 155 155 MET H H 8.105 0.013 1 360 155 155 MET C C 177.133 0.000 1 361 155 155 MET CA C 58.356 0.000 1 362 155 155 MET N N 120.153 0.047 1 363 156 156 GLU H H 7.599 0.019 1 364 156 156 GLU C C 176.928 0.000 1 365 156 156 GLU CA C 56.351 0.000 1 366 156 156 GLU N N 115.891 0.029 1 367 157 157 MET H H 7.099 0.004 1 368 157 157 MET C C 176.186 0.000 1 369 157 157 MET CA C 56.448 0.000 1 370 157 157 MET N N 118.742 0.023 1 371 158 158 GLU H H 8.920 0.008 1 372 158 158 GLU C C 178.067 0.000 1 373 158 158 GLU CA C 56.275 0.000 1 374 158 158 GLU N N 122.655 0.124 1 375 159 159 ASP H H 8.803 0.011 1 376 159 159 ASP C C 178.124 0.000 1 377 159 159 ASP CA C 58.321 0.000 1 378 159 159 ASP N N 123.337 0.147 1 379 160 160 GLU H H 9.133 0.003 1 380 160 160 GLU C C 179.901 0.001 1 381 160 160 GLU CA C 59.693 0.023 1 382 160 160 GLU N N 117.898 0.028 1 383 161 161 GLU H H 7.495 0.011 1 384 161 161 GLU C C 179.158 0.028 1 385 161 161 GLU CA C 58.599 0.091 1 386 161 161 GLU N N 120.554 0.181 1 387 162 162 ARG H H 8.681 0.015 1 388 162 162 ARG C C 178.501 0.025 1 389 162 162 ARG CA C 59.496 0.069 1 390 162 162 ARG N N 121.779 0.142 1 391 163 163 ASN H H 8.761 0.011 1 392 163 163 ASN C C 179.026 0.004 1 393 163 163 ASN CA C 55.366 0.026 1 394 163 163 ASN N N 118.217 0.035 1 395 164 164 ALA H H 7.948 0.014 1 396 164 164 ALA C C 179.291 0.000 1 397 164 164 ALA CA C 54.188 0.005 1 398 164 164 ALA N N 122.824 0.125 1 399 165 165 LEU H H 7.746 0.017 1 400 165 165 LEU C C 178.628 0.000 1 401 165 165 LEU CA C 56.689 0.000 1 402 165 165 LEU N N 118.264 0.176 1 403 167 167 GLN H H 8.068 0.024 1 404 167 167 GLN C C 175.639 0.000 1 405 167 167 GLN CA C 56.209 0.000 1 406 167 167 GLN N N 112.389 0.152 1 407 168 168 LEU H H 8.142 0.015 1 408 168 168 LEU C C 177.980 0.003 1 409 168 168 LEU CA C 52.876 0.091 1 410 168 168 LEU N N 120.132 0.223 1 411 169 169 THR H H 8.599 0.003 1 412 169 169 THR C C 175.249 0.016 1 413 169 169 THR CA C 61.087 0.046 1 414 169 169 THR N N 111.181 0.059 1 415 170 170 ASP H H 8.883 0.019 1 416 170 170 ASP C C 179.565 0.000 1 417 170 170 ASP CA C 57.716 0.000 1 418 170 170 ASP N N 120.216 0.122 1 419 172 172 GLN H H 7.374 0.003 1 420 172 172 GLN C C 179.434 0.001 1 421 172 172 GLN CA C 58.057 0.056 1 422 172 172 GLN N N 122.048 0.042 1 423 173 173 ILE H H 8.936 0.006 1 424 173 173 ILE C C 178.408 0.007 1 425 173 173 ILE CA C 62.927 0.005 1 426 173 173 ILE N N 121.038 0.086 1 427 174 174 ALA H H 7.763 0.017 1 428 174 174 ALA C C 181.130 0.003 1 429 174 174 ALA CA C 54.791 0.016 1 430 174 174 ALA N N 123.493 0.122 1 431 175 175 ASP H H 7.785 0.013 1 432 175 175 ASP C C 179.795 0.003 1 433 175 175 ASP CA C 57.245 0.013 1 434 175 175 ASP N N 119.886 0.065 1 435 176 176 VAL H H 8.319 0.015 1 436 176 176 VAL C C 178.049 0.042 1 437 176 176 VAL CA C 67.148 0.027 1 438 176 176 VAL N N 124.261 0.093 1 439 177 177 ALA H H 9.069 0.005 1 440 177 177 ALA C C 180.134 0.000 1 441 177 177 ALA CA C 55.229 0.000 1 442 177 177 ALA N N 124.302 0.029 1 443 179 179 PHE H H 8.023 0.004 1 444 179 179 PHE C C 176.106 0.000 1 445 179 179 PHE CA C 61.633 0.000 1 446 179 179 PHE N N 119.226 0.051 1 447 180 180 CYS H H 8.786 0.012 1 448 180 180 CYS CA C 64.295 0.000 1 449 180 180 CYS N N 118.326 0.141 1 450 181 181 ASN H H 8.374 0.020 1 451 181 181 ASN N N 116.013 0.208 1 452 182 182 ARG H H 7.259 0.005 1 453 182 182 ARG C C 174.808 0.000 1 454 182 182 ARG CA C 53.454 0.000 1 455 182 182 ARG N N 118.214 0.140 1 456 183 183 TYR H H 7.269 0.004 1 457 183 183 TYR C C 173.979 0.000 1 458 183 183 TYR CA C 55.554 0.000 1 459 183 183 TYR N N 125.654 0.110 1 460 185 185 ASN H H 8.515 0.001 1 461 185 185 ASN CA C 51.365 0.092 1 462 185 185 ASN N N 123.939 0.024 1 463 186 186 ILE H H 8.498 0.019 1 464 186 186 ILE C C 175.435 0.010 1 465 186 186 ILE CA C 59.115 0.092 1 466 186 186 ILE N N 123.261 0.232 1 467 187 187 GLU H H 8.892 0.005 1 468 187 187 GLU C C 174.343 0.008 1 469 187 187 GLU CA C 54.931 0.005 1 470 187 187 GLU N N 129.146 0.098 1 471 188 188 LEU H H 8.932 0.004 1 472 188 188 LEU C C 175.576 0.003 1 473 188 188 LEU CA C 54.194 0.010 1 474 188 188 LEU N N 131.805 0.128 1 475 189 189 SER H H 9.072 0.002 1 476 189 189 SER C C 171.852 0.040 1 477 189 189 SER CA C 56.531 0.020 1 478 189 189 SER N N 121.036 0.049 1 479 190 190 TYR H H 8.269 0.003 1 480 190 190 TYR C C 173.177 0.005 1 481 190 190 TYR CA C 55.477 0.022 1 482 190 190 TYR N N 118.808 0.031 1 483 191 191 GLU H H 8.631 0.003 1 484 191 191 GLU C C 173.980 0.006 1 485 191 191 GLU CA C 54.425 0.059 1 486 191 191 GLU N N 119.011 0.037 1 487 192 192 VAL H H 8.730 0.001 1 488 192 192 VAL C C 175.919 0.015 1 489 192 192 VAL CA C 61.614 0.000 1 490 192 192 VAL N N 125.909 0.042 1 491 193 193 VAL H H 8.741 0.004 1 492 193 193 VAL C C 176.062 0.001 1 493 193 193 VAL CA C 63.548 0.000 1 494 193 193 VAL N N 131.550 0.092 1 495 194 194 ASP H H 8.877 0.005 1 496 194 194 ASP C C 178.073 0.017 1 497 194 194 ASP CA C 55.016 0.000 1 498 194 194 ASP N N 124.643 0.115 1 499 195 195 LYS H H 7.382 0.014 1 500 195 195 LYS C C 177.573 0.003 1 501 195 195 LYS CA C 58.823 0.078 1 502 195 195 LYS N N 113.477 0.066 1 503 196 196 ASP H H 8.658 0.008 1 504 196 196 ASP C C 176.345 0.000 1 505 196 196 ASP CA C 55.123 0.095 1 506 196 196 ASP N N 119.923 0.042 1 507 197 197 SER H H 8.263 0.018 1 508 197 197 SER CA C 56.287 0.035 1 509 197 197 SER N N 116.479 0.064 1 510 198 198 ILE H H 8.362 0.004 1 511 198 198 ILE C C 175.512 0.011 1 512 198 198 ILE CA C 61.121 0.016 1 513 198 198 ILE N N 125.273 0.134 1 514 199 199 ARG H H 8.375 0.017 1 515 199 199 ARG C C 176.004 0.021 1 516 199 199 ARG CA C 53.118 0.074 1 517 199 199 ARG N N 126.456 0.096 1 518 200 200 SER H H 8.277 0.006 1 519 200 200 SER CA C 59.289 0.015 1 520 200 200 SER N N 115.747 0.088 1 521 201 201 GLY H H 8.156 0.003 1 522 201 201 GLY C C 174.089 0.034 1 523 201 201 GLY CA C 45.343 0.007 1 524 201 201 GLY N N 115.941 0.129 1 525 202 202 GLY H H 8.598 0.003 1 526 202 202 GLY C C 170.447 0.000 1 527 202 202 GLY CA C 43.329 0.000 1 528 202 202 GLY N N 110.405 0.138 1 529 204 204 VAL H H 8.625 0.006 1 530 204 204 VAL C C 174.017 0.014 1 531 204 204 VAL CA C 61.444 0.005 1 532 204 204 VAL N N 124.289 0.049 1 533 205 205 VAL H H 8.905 0.017 1 534 205 205 VAL C C 174.374 0.092 1 535 205 205 VAL CA C 60.744 0.015 1 536 205 205 VAL N N 126.897 0.156 1 537 206 206 VAL H H 9.011 0.020 1 538 206 206 VAL CA C 60.078 0.000 1 539 206 206 VAL N N 126.879 0.130 1 540 207 207 LEU H H 8.891 0.005 1 541 207 207 LEU CA C 52.757 0.003 1 542 207 207 LEU N N 127.127 0.069 1 543 208 208 VAL H H 9.361 0.010 1 544 208 208 VAL C C 174.004 0.067 1 545 208 208 VAL CA C 60.689 0.004 1 546 208 208 VAL N N 126.753 0.149 1 547 209 209 GLN H H 9.293 0.013 1 548 209 209 GLN CA C 54.445 0.000 1 549 209 209 GLN N N 127.323 0.161 1 550 210 210 LEU H H 8.699 0.006 1 551 210 210 LEU C C 176.528 0.024 1 552 210 210 LEU CA C 52.357 0.000 1 553 210 210 LEU N N 124.778 0.048 1 554 211 211 GLU H H 8.507 0.002 1 555 211 211 GLU C C 174.446 0.000 1 556 211 211 GLU CA C 55.215 0.018 1 557 211 211 GLU N N 120.844 0.070 1 558 212 212 ARG H H 8.983 0.016 1 559 212 212 ARG C C 176.392 0.000 1 560 212 212 ARG CA C 55.001 0.000 1 561 212 212 ARG N N 126.516 0.179 1 562 213 213 GLU H H 8.810 0.010 1 563 213 213 GLU C C 176.761 0.030 1 564 213 213 GLU CA C 58.851 0.000 1 565 213 213 GLU N N 124.927 0.165 1 566 214 214 GLU H H 8.032 0.007 1 567 214 214 GLU C C 175.660 0.017 1 568 214 214 GLU CA C 54.559 0.006 1 569 214 214 GLU N N 116.224 0.074 1 570 215 215 GLU H H 8.659 0.006 1 571 215 215 GLU C C 176.575 0.011 1 572 215 215 GLU CA C 56.757 0.003 1 573 215 215 GLU N N 122.252 0.134 1 574 216 216 VAL H H 8.259 0.006 1 575 216 216 VAL C C 176.025 0.006 1 576 216 216 VAL CA C 61.248 0.020 1 577 216 216 VAL N N 122.063 0.021 1 578 217 217 THR H H 8.509 0.002 1 579 217 217 THR C C 174.782 0.029 1 580 217 217 THR CA C 60.462 0.006 1 581 217 217 THR N N 116.631 0.052 1 582 218 218 GLY H H 8.161 0.004 1 583 218 218 GLY C C 171.468 0.000 1 584 218 218 GLY CA C 44.537 0.000 1 585 218 218 GLY N N 110.545 0.097 1 586 220 220 VAL H H 7.996 0.004 1 587 220 220 VAL C C 176.765 0.016 1 588 220 220 VAL CA C 62.564 0.057 1 589 220 220 VAL N N 117.669 0.055 1 590 221 221 ILE H H 7.730 0.007 1 591 221 221 ILE C C 173.334 0.035 1 592 221 221 ILE CA C 61.560 0.003 1 593 221 221 ILE N N 127.027 0.069 1 594 222 222 ALA H H 8.307 0.007 1 595 222 222 ALA C C 176.114 0.000 1 596 222 222 ALA CA C 50.606 0.000 1 597 222 222 ALA N N 128.826 0.156 1 598 224 224 LEU H H 8.982 0.002 1 599 224 224 LEU C C 175.411 0.040 1 600 224 224 LEU CA C 53.759 0.013 1 601 224 224 LEU N N 118.474 0.046 1 602 225 225 PHE H H 8.175 0.002 1 603 225 225 PHE C C 176.208 0.000 1 604 225 225 PHE CA C 55.415 0.000 1 605 225 225 PHE N N 124.630 0.087 1 606 227 227 GLN H H 6.903 0.003 1 607 227 227 GLN C C 174.997 0.030 1 608 227 227 GLN CA C 53.943 0.015 1 609 227 227 GLN CB C 31.188 0.000 1 610 227 227 GLN N N 117.180 0.058 1 611 228 228 LYS H H 8.572 0.018 1 612 228 228 LYS C C 176.920 0.013 1 613 228 228 LYS CA C 56.342 0.036 1 614 228 228 LYS CB C 31.179 0.000 1 615 228 228 LYS N N 122.006 0.182 1 616 229 229 ARG H H 9.563 0.005 1 617 229 229 ARG C C 174.581 0.000 1 618 229 229 ARG CA C 53.791 0.004 1 619 229 229 ARG N N 126.642 0.092 1 620 230 230 GLU H H 8.146 0.023 1 621 230 230 GLU C C 175.932 0.000 1 622 230 230 GLU CA C 54.129 0.000 1 623 230 230 GLU N N 121.044 0.162 1 624 231 231 GLU H H 8.874 0.014 1 625 231 231 GLU CA C 56.883 0.025 1 626 231 231 GLU N N 124.711 0.170 1 627 232 232 GLY H H 8.169 0.023 1 628 232 232 GLY CA C 43.611 0.000 1 629 232 232 GLY N N 117.213 0.056 1 630 233 233 TRP H H 8.159 0.013 1 631 233 233 TRP HE1 H 10.776 0.007 1 632 233 233 TRP C C 175.360 0.008 1 633 233 233 TRP CA C 55.186 0.089 1 634 233 233 TRP N N 119.042 0.193 1 635 233 233 TRP NE1 N 129.494 0.041 1 636 234 234 TRP H H 9.863 0.005 1 637 234 234 TRP HE1 H 10.671 0.006 1 638 234 234 TRP CA C 58.091 0.000 1 639 234 234 TRP N N 119.225 0.055 1 640 234 234 TRP NE1 N 130.149 0.072 1 641 235 235 VAL H H 9.258 0.004 1 642 235 235 VAL CA C 60.185 0.000 1 643 235 235 VAL N N 120.391 0.061 1 644 236 236 VAL H H 9.437 0.006 1 645 236 236 VAL CA C 59.532 0.011 1 646 236 236 VAL N N 125.560 0.063 1 647 237 237 ILE H H 9.078 0.004 1 648 237 237 ILE CA C 59.515 0.035 1 649 237 237 ILE N N 124.249 0.063 1 650 238 238 GLY H H 9.830 0.006 1 651 238 238 GLY C C 170.516 0.000 1 652 238 238 GLY CA C 44.593 0.023 1 653 238 238 GLY N N 114.330 0.063 1 654 239 239 ASP H H 9.093 0.004 1 655 239 239 ASP C C 176.783 0.008 1 656 239 239 ASP CA C 52.191 0.053 1 657 239 239 ASP N N 119.976 0.024 1 658 240 240 ALA H H 9.182 0.011 1 659 240 240 ALA C C 180.020 0.008 1 660 240 240 ALA CA C 54.131 0.028 1 661 240 240 ALA N N 127.145 0.095 1 662 241 241 LYS H H 8.353 0.022 1 663 241 241 LYS C C 178.107 0.020 1 664 241 241 LYS CA C 58.365 0.065 1 665 241 241 LYS N N 118.787 0.123 1 666 242 242 SER H H 7.477 0.019 1 667 242 242 SER CA C 57.380 0.000 1 668 242 242 SER N N 111.692 0.185 1 669 243 243 ASN H H 8.114 0.006 1 670 243 243 ASN CA C 54.158 0.000 1 671 243 243 ASN N N 120.354 0.069 1 672 244 244 SER H H 8.149 0.019 1 673 244 244 SER C C 172.980 0.000 1 674 244 244 SER CA C 56.965 0.063 1 675 244 244 SER N N 113.113 0.132 1 676 245 245 LEU H H 8.486 0.005 1 677 245 245 LEU C C 175.236 0.028 1 678 245 245 LEU CA C 56.190 0.044 1 679 245 245 LEU N N 130.758 0.106 1 680 246 246 ILE H H 8.952 0.024 1 681 246 246 ILE CA C 61.352 0.000 1 682 246 246 ILE N N 128.151 0.148 1 683 247 247 SER H H 7.728 0.012 1 684 247 247 SER CA C 57.855 0.000 1 685 247 247 SER N N 113.570 0.184 1 686 248 248 ILE H H 8.635 0.004 1 687 248 248 ILE C C 172.802 0.002 1 688 248 248 ILE CA C 59.301 0.064 1 689 248 248 ILE N N 123.916 0.213 1 690 249 249 LYS H H 9.122 0.021 1 691 249 249 LYS C C 174.287 0.004 1 692 249 249 LYS CA C 54.777 0.010 1 693 249 249 LYS N N 125.956 0.164 1 694 250 250 ARG H H 8.682 0.018 1 695 250 250 ARG C C 175.662 0.006 1 696 250 250 ARG CA C 54.495 0.000 1 697 250 250 ARG N N 124.929 0.077 1 698 251 251 LEU H H 9.288 0.008 1 699 251 251 LEU C C 174.821 0.042 1 700 251 251 LEU CA C 55.161 0.007 1 701 251 251 LEU N N 124.379 0.056 1 702 252 252 THR H H 8.001 0.017 1 703 252 252 THR C C 172.777 0.022 1 704 252 252 THR CA C 60.524 0.041 1 705 252 252 THR N N 113.159 0.226 1 706 253 253 LEU H H 9.221 0.013 1 707 253 253 LEU C C 175.640 0.000 1 708 253 253 LEU CA C 53.807 0.000 1 709 253 253 LEU N N 124.620 0.105 1 710 257 257 ALA H H 8.795 0.007 1 711 257 257 ALA C C 174.874 0.001 1 712 257 257 ALA CA C 51.650 0.082 1 713 257 257 ALA N N 123.820 0.076 1 714 258 258 LYS H H 8.413 0.002 1 715 258 258 LYS C C 175.536 0.015 1 716 258 258 LYS CA C 54.864 0.066 1 717 258 258 LYS N N 121.126 0.074 1 718 259 259 VAL H H 9.456 0.003 1 719 259 259 VAL C C 172.948 0.025 1 720 259 259 VAL CA C 60.001 0.006 1 721 259 259 VAL N N 124.575 0.092 1 722 260 260 LYS H H 8.576 0.003 1 723 260 260 LYS C C 175.151 0.012 1 724 260 260 LYS CA C 54.815 0.023 1 725 260 260 LYS N N 126.923 0.078 1 726 261 261 LEU H H 9.301 0.003 1 727 261 261 LEU CA C 54.480 0.000 1 728 261 261 LEU N N 127.938 0.079 1 729 262 262 ASP H H 8.269 0.008 1 730 262 262 ASP C C 175.581 0.006 1 731 262 262 ASP CA C 52.174 0.073 1 732 262 262 ASP N N 117.737 0.043 1 733 263 263 PHE H H 8.691 0.010 1 734 263 263 PHE C C 172.908 0.015 1 735 263 263 PHE CA C 56.088 0.015 1 736 263 263 PHE N N 116.620 0.090 1 737 264 264 VAL H H 8.547 0.022 1 738 264 264 VAL C C 175.683 0.008 1 739 264 264 VAL CA C 61.643 0.034 1 740 264 264 VAL N N 121.461 0.115 1 741 265 265 ALA H H 9.529 0.013 1 742 265 265 ALA C C 177.133 0.000 1 743 265 265 ALA CA C 50.268 0.000 1 744 265 265 ALA N N 131.154 0.150 1 745 267 267 ALA H H 7.707 0.002 1 746 267 267 ALA C C 176.653 0.008 1 747 267 267 ALA CA C 51.952 0.010 1 748 267 267 ALA N N 118.598 0.072 1 749 268 268 THR H H 8.029 0.022 1 750 268 268 THR C C 174.496 0.000 1 751 268 268 THR CA C 63.104 0.000 1 752 268 268 THR N N 112.852 0.085 1 753 269 269 GLY H H 8.945 0.005 1 754 269 269 GLY C C 171.861 0.058 1 755 269 269 GLY CA C 43.373 0.007 1 756 269 269 GLY N N 114.192 0.061 1 757 270 270 ALA H H 8.195 0.020 1 758 270 270 ALA C C 178.034 0.000 1 759 270 270 ALA CA C 51.315 0.000 1 760 270 270 ALA N N 123.064 0.160 1 761 271 271 HIS H H 8.839 0.009 1 762 271 271 HIS C C 173.188 0.000 1 763 271 271 HIS CA C 55.087 0.000 1 764 271 271 HIS N N 121.838 0.163 1 765 272 272 ASN H H 8.566 0.005 1 766 272 272 ASN C C 173.970 0.000 1 767 272 272 ASN CA C 52.431 0.000 1 768 272 272 ASN N N 121.443 0.068 1 769 273 273 TYR H H 8.804 0.005 1 770 273 273 TYR C C 174.664 0.001 1 771 273 273 TYR CA C 56.405 0.002 1 772 273 273 TYR N N 123.339 0.069 1 773 274 274 THR H H 9.169 0.011 1 774 274 274 THR C C 171.387 0.047 1 775 274 274 THR CA C 61.415 0.053 1 776 274 274 THR N N 116.536 0.085 1 777 275 275 LEU H H 9.489 0.006 1 778 275 275 LEU CA C 52.881 0.012 1 779 275 275 LEU N N 129.802 0.085 1 780 276 276 TYR H H 10.046 0.004 1 781 276 276 TYR C C 174.732 0.019 1 782 276 276 TYR CA C 56.238 0.006 1 783 276 276 TYR N N 124.116 0.070 1 784 277 277 PHE H H 9.357 0.004 1 785 277 277 PHE C C 174.413 0.008 1 786 277 277 PHE CA C 55.334 0.007 1 787 277 277 PHE N N 125.696 0.072 1 788 278 278 MET H H 9.245 0.002 1 789 278 278 MET C C 175.891 0.020 1 790 278 278 MET CA C 51.681 0.020 1 791 278 278 MET N N 123.359 0.055 1 792 279 279 SER H H 8.983 0.005 1 793 279 279 SER CA C 56.774 0.000 1 794 279 279 SER N N 117.788 0.050 1 795 281 281 ALA H H 8.253 0.014 1 796 281 281 ALA C C 172.695 0.000 1 797 281 281 ALA CA C 52.405 0.000 1 798 281 281 ALA N N 125.906 0.135 1 799 282 282 TYR H H 7.960 0.009 1 800 282 282 TYR C C 179.335 0.000 1 801 282 282 TYR CA C 56.166 0.096 1 802 282 282 TYR N N 113.650 0.129 1 803 283 283 MET H H 9.271 0.002 1 804 283 283 MET C C 178.543 0.012 1 805 283 283 MET CA C 55.227 0.005 1 806 283 283 MET N N 116.776 0.048 1 807 284 284 GLY H H 9.294 0.011 1 808 284 284 GLY C C 174.874 0.000 1 809 284 284 GLY CA C 45.730 0.000 1 810 284 284 GLY N N 115.417 0.065 1 811 285 285 CYS H H 9.877 0.014 1 812 285 285 CYS CA C 56.170 0.000 1 813 285 285 CYS N N 119.474 0.082 1 814 286 286 ASP H H 8.221 0.007 1 815 286 286 ASP CA C 55.072 0.009 1 816 286 286 ASP N N 123.669 0.150 1 817 287 287 GLN H H 9.633 0.003 1 818 287 287 GLN C C 174.430 0.000 1 819 287 287 GLN CA C 54.613 0.000 1 820 287 287 GLN N N 119.029 0.050 1 821 288 288 GLU H H 8.133 0.004 1 822 288 288 GLU CA C 54.512 0.000 1 823 288 288 GLU N N 120.859 0.109 1 824 289 289 TYR H H 9.236 0.009 1 825 289 289 TYR C C 174.382 0.000 1 826 289 289 TYR CA C 57.125 0.000 1 827 289 289 TYR N N 122.418 0.062 1 828 290 290 LYS H H 8.859 0.030 1 829 290 290 LYS C C 176.338 0.000 1 830 290 290 LYS CA C 55.221 0.000 1 831 290 290 LYS N N 123.094 0.148 1 832 291 291 PHE H H 8.916 0.011 1 833 291 291 PHE C C 172.343 0.038 1 834 291 291 PHE CA C 56.134 0.045 1 835 291 291 PHE N N 119.671 0.109 1 836 292 292 SER H H 8.791 0.002 1 837 292 292 SER C C 174.103 0.000 1 838 292 292 SER CA C 56.225 0.000 1 839 292 292 SER N N 115.586 0.036 1 840 293 293 VAL H H 9.007 0.015 1 841 293 293 VAL C C 174.060 0.000 1 842 293 293 VAL CA C 60.502 0.000 1 843 293 293 VAL N N 120.164 0.044 1 844 294 294 ASP H H 9.102 0.008 1 845 294 294 ASP C C 174.421 0.011 1 846 294 294 ASP CA C 53.334 0.085 1 847 294 294 ASP N N 127.368 0.129 1 848 295 295 VAL H H 8.841 0.023 1 849 295 295 VAL C C 177.046 0.005 1 850 295 295 VAL CA C 62.385 0.052 1 851 295 295 VAL N N 125.864 0.176 1 852 296 296 LYS H H 9.060 0.006 1 853 296 296 LYS C C 175.778 0.016 1 854 296 296 LYS CA C 55.677 0.030 1 855 296 296 LYS N N 130.635 0.108 1 856 297 297 GLU H H 8.701 0.006 1 857 297 297 GLU C C 176.370 0.012 1 858 297 297 GLU CA C 56.443 0.034 1 859 297 297 GLU N N 120.231 0.052 1 860 298 298 ALA H H 8.630 0.001 1 861 298 298 ALA C C 178.085 0.009 1 862 298 298 ALA CA C 52.404 0.013 1 863 298 298 ALA CB C 18.621 0.000 1 864 298 298 ALA N N 124.263 0.025 1 865 299 299 GLU H H 8.721 0.021 1 866 299 299 GLU C C 176.747 0.019 1 867 299 299 GLU CA C 56.271 0.024 1 868 299 299 GLU CB C 29.725 0.000 1 869 299 299 GLU N N 120.957 0.063 1 870 300 300 THR H H 8.345 0.020 1 871 300 300 THR C C 174.391 0.024 1 872 300 300 THR CA C 61.170 0.028 1 873 300 300 THR CB C 69.199 0.000 1 874 300 300 THR N N 115.628 0.167 1 875 301 301 ASP H H 8.524 0.004 1 876 301 301 ASP C C 176.405 0.008 1 877 301 301 ASP CA C 54.098 0.022 1 878 301 301 ASP CB C 40.632 0.000 1 879 301 301 ASP N N 123.200 0.073 1 880 302 302 SER H H 8.382 0.030 1 881 302 302 SER C C 174.542 0.027 1 882 302 302 SER CA C 58.072 0.028 1 883 302 302 SER CB C 63.135 0.000 1 884 302 302 SER N N 116.404 0.196 1 885 303 303 ASP H H 8.506 0.014 1 886 303 303 ASP C C 176.308 0.037 1 887 303 303 ASP CA C 54.246 0.020 1 888 303 303 ASP N N 123.049 0.154 1 889 304 304 SER H H 8.241 0.020 1 890 304 304 SER C C 173.669 0.038 1 891 304 304 SER CA C 57.909 0.024 1 892 304 304 SER CB C 63.457 0.000 1 893 304 304 SER N N 115.904 0.169 1 894 305 305 ASP H H 8.102 0.025 1 895 305 305 ASP C C 181.197 0.000 1 896 305 305 ASP CA C 55.836 0.000 1 897 305 305 ASP CB C 41.611 0.000 1 898 305 305 ASP N N 128.137 0.162 1 stop_ save_