data_25426 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MBD2 intrinsically disordered region ; _BMRB_accession_number 25426 _BMRB_flat_file_name bmr25426.str _Entry_type original _Submission_date 2015-01-12 _Accession_date 2015-01-12 _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 Williams David C. Jr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 350 "13C chemical shifts" 331 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-23 original BMRB . stop_ _Original_release_date 2015-01-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; An intrinsically disordered region of methyl-CpG binding domain protein 2 (MBD2) recruits the histone deacetylase core of the NuRD complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25753662 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Desai Megha A. . 2 Webb Heather D. . 3 Sinanan Leander M. . 4 Scarsdale Neel . . 5 Walavalkar Ninad M. . 6 Ginder Gordon G. . 7 Williams David C. Jr. stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 43 _Journal_issue 6 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3100 _Page_last 3113 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MBD2 IDR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MBD2 IDR' $MBD2 stop_ _System_molecular_weight 13046.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MBD2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBD2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSDLNTTLPIRQTASIFKQP VTKVTNHPSNKVKSDPQRMN EQPRQLFWEKRLQGLSASDV TEQIIKTMELPKGLQGVGPG SNDETLLSAVASALHTSSAP ITGQVSAAVEKNPAVWLNTS Q ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 236 GLY 2 237 SER 3 238 ASP 4 239 LEU 5 240 ASN 6 241 THR 7 242 THR 8 243 LEU 9 244 PRO 10 245 ILE 11 246 ARG 12 247 GLN 13 248 THR 14 249 ALA 15 250 SER 16 251 ILE 17 252 PHE 18 253 LYS 19 254 GLN 20 255 PRO 21 256 VAL 22 257 THR 23 258 LYS 24 259 VAL 25 260 THR 26 261 ASN 27 262 HIS 28 263 PRO 29 264 SER 30 265 ASN 31 266 LYS 32 267 VAL 33 268 LYS 34 269 SER 35 270 ASP 36 271 PRO 37 272 GLN 38 273 ARG 39 274 MET 40 275 ASN 41 276 GLU 42 277 GLN 43 278 PRO 44 279 ARG 45 280 GLN 46 281 LEU 47 282 PHE 48 283 TRP 49 284 GLU 50 285 LYS 51 286 ARG 52 287 LEU 53 288 GLN 54 289 GLY 55 290 LEU 56 291 SER 57 292 ALA 58 293 SER 59 294 ASP 60 295 VAL 61 296 THR 62 297 GLU 63 298 GLN 64 299 ILE 65 300 ILE 66 301 LYS 67 302 THR 68 303 MET 69 304 GLU 70 305 LEU 71 306 PRO 72 307 LYS 73 308 GLY 74 309 LEU 75 310 GLN 76 311 GLY 77 312 VAL 78 313 GLY 79 314 PRO 80 315 GLY 81 316 SER 82 317 ASN 83 318 ASP 84 319 GLU 85 320 THR 86 321 LEU 87 322 LEU 88 323 SER 89 324 ALA 90 325 VAL 91 326 ALA 92 327 SER 93 328 ALA 94 329 LEU 95 330 HIS 96 331 THR 97 332 SER 98 333 SER 99 334 ALA 100 335 PRO 101 336 ILE 102 337 THR 103 338 GLY 104 339 GLN 105 340 VAL 106 341 SER 107 342 ALA 108 343 ALA 109 344 VAL 110 345 GLU 111 346 LYS 112 347 ASN 113 348 PRO 114 349 ALA 115 350 VAL 116 351 TRP 117 352 LEU 118 353 ASN 119 354 THR 120 355 SER 121 356 GLN 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 $MBD2 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 $MBD2 'recombinant technology' . Escherichia coli . pet32a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MBD2 . mM 0.5 1 '[U-99% 13C; U-99% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' NaH2PO4 10 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' DTT 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _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' 25 . mM pH 6.5 . 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 0.00 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 HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' 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 'MBD2 IDR' _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 1 237 2 SER HA H 4.518 0.000 1 2 237 2 SER HB2 H 3.866 0.000 1 3 237 2 SER C C 174.080 0.000 1 4 237 2 SER CA C 58.350 0.044 1 5 237 2 SER CB C 63.952 0.000 1 6 238 3 ASP H H 8.536 0.001 1 7 238 3 ASP HA H 4.603 0.000 1 8 238 3 ASP HB2 H 2.721 0.000 2 9 238 3 ASP HB3 H 2.616 0.000 2 10 238 3 ASP C C 176.244 0.000 1 11 238 3 ASP CA C 54.368 0.020 1 12 238 3 ASP CB C 41.035 0.035 1 13 238 3 ASP N N 122.506 0.051 1 14 239 4 LEU H H 8.264 0.002 1 15 239 4 LEU HA H 4.312 0.000 1 16 239 4 LEU HB2 H 1.617 0.000 1 17 239 4 LEU C C 177.338 0.000 1 18 239 4 LEU CA C 55.485 0.000 1 19 239 4 LEU CB C 42.190 0.000 1 20 239 4 LEU N N 122.515 0.028 1 21 240 5 ASN H H 8.486 0.003 1 22 240 5 ASN HA H 4.744 0.000 1 23 240 5 ASN HB2 H 2.798 0.000 2 24 240 5 ASN HB3 H 2.874 0.000 2 25 240 5 ASN C C 175.527 0.000 1 26 240 5 ASN CA C 53.480 0.000 1 27 240 5 ASN CB C 38.731 0.038 1 28 240 5 ASN N N 119.236 0.028 1 29 241 6 THR H H 8.069 0.002 1 30 241 6 THR HA H 4.382 0.000 1 31 241 6 THR HB H 4.286 0.000 1 32 241 6 THR C C 174.672 0.000 1 33 241 6 THR CA C 62.011 0.022 1 34 241 6 THR CB C 69.634 0.014 1 35 241 6 THR N N 114.109 0.049 1 36 242 7 THR H H 8.144 0.001 1 37 242 7 THR HA H 4.315 0.000 1 38 242 7 THR HB H 4.188 0.000 1 39 242 7 THR C C 174.242 0.000 1 40 242 7 THR CA C 62.030 0.007 1 41 242 7 THR CB C 69.828 0.045 1 42 242 7 THR N N 116.757 0.030 1 43 243 8 LEU H H 8.193 0.001 1 44 243 8 LEU CA C 53.213 0.000 1 45 243 8 LEU CB C 41.786 0.000 1 46 243 8 LEU N N 126.291 0.010 1 47 244 9 PRO HA H 4.438 0.000 1 48 244 9 PRO HB2 H 1.850 0.000 2 49 244 9 PRO HB3 H 2.256 0.000 2 50 244 9 PRO C C 176.854 0.000 1 51 244 9 PRO CA C 63.037 0.000 1 52 244 9 PRO CB C 31.815 0.000 1 53 245 10 ILE H H 8.162 0.002 1 54 245 10 ILE HA H 4.100 0.000 1 55 245 10 ILE HB H 1.832 0.000 1 56 245 10 ILE C C 176.410 0.000 1 57 245 10 ILE CA C 61.310 0.016 1 58 245 10 ILE CB C 38.669 0.022 1 59 245 10 ILE N N 121.148 0.006 1 60 246 11 ARG H H 8.396 0.003 1 61 246 11 ARG HA H 4.356 0.000 1 62 246 11 ARG HB2 H 1.764 0.000 2 63 246 11 ARG HB3 H 1.812 0.000 2 64 246 11 ARG C C 176.085 0.000 1 65 246 11 ARG CA C 55.969 0.013 1 66 246 11 ARG CB C 30.814 0.002 1 67 246 11 ARG N N 125.228 0.042 1 68 247 12 GLN H H 8.491 0.001 1 69 247 12 GLN HA H 4.405 0.000 1 70 247 12 GLN HB2 H 2.113 0.000 2 71 247 12 GLN HB3 H 1.984 0.000 2 72 247 12 GLN C C 176.121 0.000 1 73 247 12 GLN CA C 55.868 0.031 1 74 247 12 GLN CB C 29.546 0.013 1 75 247 12 GLN N N 122.424 0.008 1 76 248 13 THR H H 8.237 0.001 1 77 248 13 THR HA H 4.322 0.000 1 78 248 13 THR HB H 4.215 0.000 1 79 248 13 THR CA C 61.943 0.040 1 80 248 13 THR CB C 69.915 0.033 1 81 248 13 THR N N 116.012 0.012 1 82 249 14 ALA H H 8.364 0.001 1 83 249 14 ALA HA H 4.361 0.000 1 84 249 14 ALA HB H 1.406 0.000 1 85 249 14 ALA C C 177.728 0.000 1 86 249 14 ALA CA C 52.606 0.000 1 87 249 14 ALA CB C 19.340 0.000 1 88 249 14 ALA N N 126.465 0.047 1 89 250 15 SER H H 8.304 0.001 1 90 250 15 SER HA H 4.411 0.000 1 91 250 15 SER HB2 H 3.813 0.000 1 92 250 15 SER C C 174.552 0.000 1 93 250 15 SER CA C 58.406 0.057 1 94 250 15 SER CB C 63.823 0.000 1 95 250 15 SER N N 115.441 0.011 1 96 251 16 ILE H H 8.006 0.001 1 97 251 16 ILE HA H 4.140 0.000 1 98 251 16 ILE HB H 1.783 0.000 1 99 251 16 ILE C C 175.804 0.000 1 100 251 16 ILE CA C 61.328 0.046 1 101 251 16 ILE CB C 38.711 0.031 1 102 251 16 ILE N N 121.834 0.006 1 103 252 17 PHE H H 8.219 0.001 1 104 252 17 PHE HA H 4.613 0.000 1 105 252 17 PHE HB2 H 2.984 0.000 2 106 252 17 PHE HB3 H 3.101 0.000 2 107 252 17 PHE C C 175.248 0.000 1 108 252 17 PHE CA C 57.679 0.012 1 109 252 17 PHE CB C 39.592 0.018 1 110 252 17 PHE N N 124.133 0.033 1 111 253 18 LYS H H 8.098 0.001 1 112 253 18 LYS HA H 4.274 0.000 1 113 253 18 LYS HB2 H 1.647 0.000 2 114 253 18 LYS HB3 H 1.737 0.000 2 115 253 18 LYS C C 175.571 0.000 1 116 253 18 LYS CA C 55.711 0.016 1 117 253 18 LYS CB C 33.183 0.004 1 118 253 18 LYS N N 124.144 0.007 1 119 254 19 GLN H H 8.310 0.001 1 120 254 19 GLN CA C 53.804 0.000 1 121 254 19 GLN CB C 28.742 0.000 1 122 254 19 GLN N N 123.226 0.026 1 123 255 20 PRO HA H 4.456 0.000 1 124 255 20 PRO HB2 H 2.287 0.000 2 125 255 20 PRO HB3 H 1.896 0.000 2 126 255 20 PRO C C 176.782 0.000 1 127 255 20 PRO CA C 63.012 0.000 1 128 255 20 PRO CB C 32.117 0.000 1 129 256 21 VAL H H 8.308 0.001 1 130 256 21 VAL HA H 4.137 0.000 1 131 256 21 VAL HB H 2.062 0.000 1 132 256 21 VAL C C 176.461 0.000 1 133 256 21 VAL CA C 62.418 0.009 1 134 256 21 VAL CB C 32.676 0.011 1 135 256 21 VAL N N 120.837 0.018 1 136 257 22 THR H H 8.234 0.001 1 137 257 22 THR HA H 4.327 0.000 1 138 257 22 THR HB H 4.139 0.000 1 139 257 22 THR CA C 61.855 0.064 1 140 257 22 THR CB C 69.927 0.035 1 141 257 22 THR N N 119.047 0.034 1 142 258 23 LYS H H 8.365 0.001 1 143 258 23 LYS HA H 4.365 0.000 1 144 258 23 LYS HB2 H 1.731 0.000 2 145 258 23 LYS HB3 H 1.806 0.000 2 146 258 23 LYS CA C 56.201 0.030 1 147 258 23 LYS CB C 33.187 0.017 1 148 258 23 LYS N N 124.723 0.038 1 149 259 24 VAL H H 8.280 0.002 1 150 259 24 VAL HA H 4.164 0.000 1 151 259 24 VAL HB H 2.054 0.000 1 152 259 24 VAL C C 176.264 0.000 1 153 259 24 VAL CA C 62.309 0.005 1 154 259 24 VAL CB C 32.711 0.025 1 155 259 24 VAL N N 122.615 0.063 1 156 260 25 THR H H 8.295 0.002 1 157 260 25 THR C C 174.480 0.000 1 158 260 25 THR CA C 62.163 0.000 1 159 260 25 THR CB C 69.883 0.000 1 160 260 25 THR N N 118.606 0.045 1 161 263 28 PRO HA H 4.437 0.000 1 162 263 28 PRO HB2 H 1.942 0.000 2 163 263 28 PRO HB3 H 2.297 0.000 2 164 263 28 PRO C C 177.116 0.000 1 165 263 28 PRO CA C 63.531 0.000 1 166 263 28 PRO CB C 32.060 0.000 1 167 264 29 SER H H 8.724 0.001 1 168 264 29 SER CA C 58.659 0.000 1 169 264 29 SER CB C 63.927 0.000 1 170 264 29 SER N N 116.241 0.006 1 171 265 30 ASN HA H 4.710 0.000 1 172 265 30 ASN HB2 H 2.819 0.000 1 173 265 30 ASN C C 175.124 0.000 1 174 265 30 ASN CA C 53.301 0.000 1 175 265 30 ASN CB C 38.713 0.000 1 176 266 31 LYS H H 8.197 0.001 1 177 266 31 LYS HA H 4.324 0.000 1 178 266 31 LYS HB2 H 1.705 0.000 2 179 266 31 LYS HB3 H 1.830 0.000 2 180 266 31 LYS C C 176.474 0.000 1 181 266 31 LYS CA C 56.433 0.007 1 182 266 31 LYS CB C 32.964 0.005 1 183 266 31 LYS N N 121.640 0.019 1 184 267 32 VAL H H 8.099 0.004 1 185 267 32 VAL HA H 4.075 0.000 1 186 267 32 VAL HB H 2.060 0.000 1 187 267 32 VAL C C 176.094 0.000 1 188 267 32 VAL CA C 62.378 0.002 1 189 267 32 VAL CB C 32.712 0.055 1 190 267 32 VAL N N 121.546 0.046 1 191 268 33 LYS H H 8.408 0.002 1 192 268 33 LYS HA H 4.345 0.000 1 193 268 33 LYS HB2 H 1.754 0.000 2 194 268 33 LYS HB3 H 1.835 0.000 2 195 268 33 LYS C C 176.309 0.000 1 196 268 33 LYS CA C 56.340 0.002 1 197 268 33 LYS CB C 33.025 0.027 1 198 268 33 LYS N N 125.618 0.024 1 199 269 34 SER H H 8.315 0.003 1 200 269 34 SER HA H 4.435 0.000 1 201 269 34 SER HB2 H 3.814 0.000 1 202 269 34 SER C C 173.730 0.000 1 203 269 34 SER CA C 58.062 0.029 1 204 269 34 SER CB C 64.017 0.012 1 205 269 34 SER N N 117.755 0.033 1 206 270 35 ASP H H 8.424 0.001 1 207 270 35 ASP CA C 52.403 0.000 1 208 270 35 ASP CB C 41.158 0.000 1 209 270 35 ASP N N 123.782 0.032 1 210 271 36 PRO HA H 4.393 0.000 1 211 271 36 PRO HB2 H 2.304 0.000 2 212 271 36 PRO HB3 H 1.935 0.000 2 213 271 36 PRO C C 177.317 0.000 1 214 271 36 PRO CA C 63.770 0.000 1 215 271 36 PRO CB C 32.071 0.000 1 216 272 37 GLN H H 8.451 0.002 1 217 272 37 GLN HA H 4.265 0.000 1 218 272 37 GLN HB2 H 2.015 0.000 2 219 272 37 GLN HB3 H 2.118 0.000 2 220 272 37 GLN C C 176.297 0.000 1 221 272 37 GLN CA C 56.196 0.006 1 222 272 37 GLN CB C 29.146 0.016 1 223 272 37 GLN N N 119.014 0.028 1 224 273 38 ARG H H 8.157 0.003 1 225 273 38 ARG HA H 4.247 0.000 1 226 273 38 ARG HB2 H 1.759 0.000 1 227 273 38 ARG CA C 56.317 0.000 1 228 273 38 ARG CB C 30.510 0.000 1 229 273 38 ARG N N 121.371 0.082 1 230 274 39 MET H H 8.345 0.001 1 231 274 39 MET HA H 4.423 0.000 1 232 274 39 MET HB2 H 2.062 0.000 1 233 274 39 MET C C 176.196 0.000 1 234 274 39 MET CA C 56.028 0.000 1 235 274 39 MET N N 121.238 0.037 1 236 275 40 ASN H H 8.475 0.009 1 237 275 40 ASN HA H 4.664 0.000 1 238 275 40 ASN HB2 H 2.744 0.000 2 239 275 40 ASN HB3 H 2.842 0.000 2 240 275 40 ASN C C 174.972 0.000 1 241 275 40 ASN CA C 53.564 0.044 1 242 275 40 ASN CB C 38.746 0.010 1 243 275 40 ASN N N 119.174 0.053 1 244 276 41 GLU H H 8.211 0.003 1 245 276 41 GLU HA H 4.296 0.000 1 246 276 41 GLU HB2 H 1.921 0.000 2 247 276 41 GLU HB3 H 2.033 0.000 2 248 276 41 GLU C C 176.188 0.000 1 249 276 41 GLU CA C 56.457 0.004 1 250 276 41 GLU CB C 30.457 0.023 1 251 276 41 GLU N N 120.673 0.083 1 252 277 42 GLN H H 8.408 0.001 1 253 277 42 GLN CA C 53.890 0.000 1 254 277 42 GLN CB C 28.743 0.000 1 255 277 42 GLN N N 122.555 0.011 1 256 278 43 PRO HA H 4.398 0.000 1 257 278 43 PRO HB2 H 2.283 0.000 2 258 278 43 PRO HB3 H 1.868 0.000 2 259 278 43 PRO CA C 63.311 0.000 1 260 278 43 PRO CB C 32.061 0.000 1 261 279 44 ARG H H 8.428 0.001 1 262 279 44 ARG CA C 56.355 0.000 1 263 279 44 ARG CB C 30.809 0.000 1 264 279 44 ARG N N 121.344 0.076 1 265 280 45 GLN HA H 4.233 0.000 1 266 280 45 GLN HB2 H 1.930 0.000 1 267 280 45 GLN C C 175.738 0.000 1 268 280 45 GLN CA C 55.953 0.000 1 269 280 45 GLN CB C 29.369 0.000 1 270 281 46 LEU H H 8.221 0.001 1 271 281 46 LEU HA H 4.218 0.000 1 272 281 46 LEU HB2 H 1.282 0.000 2 273 281 46 LEU HB3 H 1.464 0.000 2 274 281 46 LEU C C 177.229 0.000 1 275 281 46 LEU CA C 55.459 0.090 1 276 281 46 LEU CB C 42.247 0.031 1 277 281 46 LEU N N 123.165 0.023 1 278 282 47 PHE H H 8.131 0.001 1 279 282 47 PHE HA H 4.499 0.000 1 280 282 47 PHE HB2 H 3.020 0.000 1 281 282 47 PHE C C 175.789 0.000 1 282 282 47 PHE CA C 58.293 0.048 1 283 282 47 PHE CB C 39.245 0.036 1 284 282 47 PHE N N 119.612 0.023 1 285 283 48 TRP H H 7.913 0.001 1 286 283 48 TRP HA H 4.523 0.000 1 287 283 48 TRP HB2 H 3.234 0.000 1 288 283 48 TRP C C 176.332 0.000 1 289 283 48 TRP CA C 57.744 0.000 1 290 283 48 TRP CB C 29.548 0.000 1 291 283 48 TRP N N 121.525 0.011 1 292 284 49 GLU H H 8.145 0.001 1 293 284 49 GLU HA H 4.066 0.000 1 294 284 49 GLU HB2 H 1.925 0.000 2 295 284 49 GLU HB3 H 1.849 0.000 2 296 284 49 GLU C C 176.669 0.000 1 297 284 49 GLU CA C 57.280 0.044 1 298 284 49 GLU CB C 30.133 0.015 1 299 284 49 GLU N N 121.722 0.045 1 300 285 50 LYS H H 8.079 0.002 1 301 285 50 LYS HA H 4.148 0.000 1 302 285 50 LYS HB2 H 1.736 0.000 1 303 285 50 LYS C C 177.012 0.000 1 304 285 50 LYS CA C 56.965 0.043 1 305 285 50 LYS CB C 32.549 0.015 1 306 285 50 LYS N N 121.315 0.050 1 307 286 51 ARG H H 8.145 0.007 1 308 286 51 ARG HA H 4.264 0.000 1 309 286 51 ARG HB2 H 1.767 0.000 1 310 286 51 ARG C C 176.584 0.000 1 311 286 51 ARG CA C 56.603 0.000 1 312 286 51 ARG CB C 30.428 0.000 1 313 286 51 ARG N N 121.124 0.088 1 314 287 52 LEU H H 8.135 0.002 1 315 287 52 LEU HA H 4.303 0.000 1 316 287 52 LEU HB2 H 1.573 0.000 2 317 287 52 LEU HB3 H 1.658 0.000 2 318 287 52 LEU C C 177.451 0.000 1 319 287 52 LEU CA C 55.416 0.053 1 320 287 52 LEU CB C 42.095 0.031 1 321 287 52 LEU N N 122.131 0.033 1 322 288 53 GLN H H 8.164 0.002 1 323 288 53 GLN HA H 4.278 0.000 1 324 288 53 GLN HB2 H 2.010 0.000 2 325 288 53 GLN HB3 H 2.111 0.000 2 326 288 53 GLN C C 176.410 0.000 1 327 288 53 GLN CA C 56.300 0.002 1 328 288 53 GLN CB C 29.388 0.010 1 329 288 53 GLN N N 120.107 0.017 1 330 289 54 GLY H H 8.336 0.001 1 331 289 54 GLY HA2 H 3.946 0.000 1 332 289 54 GLY C C 174.103 0.000 1 333 289 54 GLY CA C 45.359 0.016 1 334 289 54 GLY N N 109.560 0.003 1 335 290 55 LEU H H 8.039 0.001 1 336 290 55 LEU HA H 4.409 0.000 1 337 290 55 LEU HB2 H 1.625 0.000 1 338 290 55 LEU C C 177.530 0.000 1 339 290 55 LEU CA C 55.216 0.056 1 340 290 55 LEU CB C 42.589 0.030 1 341 290 55 LEU N N 121.457 0.007 1 342 291 56 SER H H 8.456 0.001 1 343 291 56 SER HA H 4.479 0.000 1 344 291 56 SER HB2 H 3.891 0.000 1 345 291 56 SER C C 174.448 0.000 1 346 291 56 SER CA C 58.104 0.026 1 347 291 56 SER CB C 64.197 0.005 1 348 291 56 SER N N 116.744 0.004 1 349 292 57 ALA H H 8.430 0.001 1 350 292 57 ALA HA H 4.314 0.000 1 351 292 57 ALA HB H 1.409 0.000 1 352 292 57 ALA C C 178.058 0.000 1 353 292 57 ALA CA C 53.157 0.007 1 354 292 57 ALA CB C 19.090 0.005 1 355 292 57 ALA N N 125.884 0.020 1 356 293 58 SER H H 8.219 0.001 1 357 293 58 SER HA H 4.410 0.000 1 358 293 58 SER HB2 H 3.859 0.000 1 359 293 58 SER C C 174.422 0.000 1 360 293 58 SER CA C 58.767 0.036 1 361 293 58 SER CB C 63.786 0.004 1 362 293 58 SER N N 113.931 0.004 1 363 294 59 ASP H H 8.213 0.001 1 364 294 59 ASP HA H 4.628 0.000 1 365 294 59 ASP HB2 H 2.699 0.000 1 366 294 59 ASP C C 176.570 0.000 1 367 294 59 ASP CA C 54.768 0.002 1 368 294 59 ASP CB C 41.249 0.010 1 369 294 59 ASP N N 122.218 0.010 1 370 295 60 VAL H H 8.023 0.001 1 371 295 60 VAL HA H 4.136 0.000 1 372 295 60 VAL HB H 2.146 0.000 1 373 295 60 VAL C C 176.591 0.000 1 374 295 60 VAL CA C 62.931 0.050 1 375 295 60 VAL CB C 32.473 0.055 1 376 295 60 VAL N N 119.629 0.034 1 377 296 61 THR H H 8.143 0.001 1 378 296 61 THR HA H 4.249 0.000 1 379 296 61 THR C C 174.822 0.000 1 380 296 61 THR CA C 62.804 0.032 1 381 296 61 THR CB C 69.772 0.044 1 382 296 61 THR N N 117.149 0.012 1 383 297 62 GLU H H 8.314 0.005 1 384 297 62 GLU HA H 4.220 0.000 1 385 297 62 GLU HB2 H 2.031 0.000 1 386 297 62 GLU C C 176.647 0.000 1 387 297 62 GLU CA C 57.152 0.055 1 388 297 62 GLU CB C 30.163 0.008 1 389 297 62 GLU N N 122.744 0.048 1 390 298 63 GLN H H 8.260 0.005 1 391 298 63 GLN HA H 4.266 0.000 1 392 298 63 GLN HB2 H 2.079 0.000 2 393 298 63 GLN HB3 H 1.973 0.000 2 394 298 63 GLN C C 176.284 0.000 1 395 298 63 GLN CA C 56.358 0.003 1 396 298 63 GLN CB C 29.239 0.060 1 397 298 63 GLN N N 120.590 0.032 1 398 299 64 ILE H H 8.128 0.008 1 399 299 64 ILE HA H 4.087 0.000 1 400 299 64 ILE HB H 1.850 0.000 1 401 299 64 ILE C C 176.456 0.000 1 402 299 64 ILE CA C 61.728 0.036 1 403 299 64 ILE CB C 38.475 0.020 1 404 299 64 ILE N N 122.302 0.040 1 405 300 65 ILE H H 8.213 0.001 1 406 300 65 ILE HA H 4.078 0.000 1 407 300 65 ILE HB H 1.860 0.000 1 408 300 65 ILE C C 176.541 0.000 1 409 300 65 ILE CA C 61.669 0.000 1 410 300 65 ILE CB C 38.240 0.071 1 411 300 65 ILE N N 124.897 0.039 1 412 301 66 LYS H H 8.315 0.001 1 413 301 66 LYS HA H 4.358 0.000 1 414 301 66 LYS HB2 H 1.789 0.000 2 415 301 66 LYS HB3 H 1.842 0.000 2 416 301 66 LYS C C 176.919 0.000 1 417 301 66 LYS CA C 56.743 0.050 1 418 301 66 LYS CB C 32.954 0.019 1 419 301 66 LYS N N 124.655 0.011 1 420 302 67 THR H H 8.076 0.002 1 421 302 67 THR HA H 4.467 0.000 1 422 302 67 THR HB H 4.240 0.000 1 423 302 67 THR C C 174.533 0.000 1 424 302 67 THR CA C 62.220 0.080 1 425 302 67 THR CB C 69.831 0.076 1 426 302 67 THR N N 114.977 0.030 1 427 303 68 MET H H 8.273 0.007 1 428 303 68 MET HA H 4.594 0.000 1 429 303 68 MET HB2 H 2.074 0.000 1 430 303 68 MET C C 175.738 0.000 1 431 303 68 MET CA C 55.654 0.057 1 432 303 68 MET CB C 32.868 0.039 1 433 303 68 MET N N 122.175 0.049 1 434 304 69 GLU H H 8.265 0.005 1 435 304 69 GLU HA H 4.301 0.000 1 436 304 69 GLU HB2 H 1.912 0.000 2 437 304 69 GLU HB3 H 2.008 0.000 2 438 304 69 GLU C C 176.006 0.000 1 439 304 69 GLU CA C 56.184 0.013 1 440 304 69 GLU CB C 30.427 0.028 1 441 304 69 GLU N N 122.123 0.094 1 442 305 70 LEU H H 8.284 0.001 1 443 305 70 LEU CA C 53.144 0.000 1 444 305 70 LEU CB C 41.652 0.000 1 445 305 70 LEU N N 125.006 0.014 1 446 306 71 PRO HA H 4.412 0.000 1 447 306 71 PRO HB2 H 2.303 0.000 2 448 306 71 PRO HB3 H 1.872 0.000 2 449 306 71 PRO C C 176.958 0.000 1 450 306 71 PRO CA C 63.070 0.000 1 451 306 71 PRO CB C 32.030 0.000 1 452 307 72 LYS H H 8.452 0.002 1 453 307 72 LYS HA H 4.255 0.000 1 454 307 72 LYS HB2 H 1.795 0.000 1 455 307 72 LYS C C 177.444 0.000 1 456 307 72 LYS CA C 56.671 0.048 1 457 307 72 LYS CB C 33.018 0.009 1 458 307 72 LYS N N 121.746 0.025 1 459 308 73 GLY H H 8.416 0.001 1 460 308 73 GLY HA2 H 3.943 0.000 1 461 308 73 GLY C C 174.163 0.000 1 462 308 73 GLY CA C 45.318 0.015 1 463 308 73 GLY N N 109.311 0.048 1 464 309 74 LEU H H 8.105 0.002 1 465 309 74 LEU HA H 4.362 0.000 1 466 309 74 LEU HB2 H 1.608 0.000 1 467 309 74 LEU C C 177.421 0.000 1 468 309 74 LEU CA C 55.138 0.000 1 469 309 74 LEU CB C 42.388 0.000 1 470 309 74 LEU N N 121.498 0.009 1 471 310 75 GLN H H 8.372 0.001 1 472 310 75 GLN HA H 4.329 0.000 1 473 310 75 GLN HB2 H 2.010 0.000 2 474 310 75 GLN HB3 H 2.120 0.000 2 475 310 75 GLN C C 176.394 0.000 1 476 310 75 GLN CA C 56.047 0.009 1 477 310 75 GLN CB C 29.408 0.009 1 478 310 75 GLN N N 120.843 0.005 1 479 311 76 GLY H H 8.407 0.001 1 480 311 76 GLY HA2 H 3.958 0.000 1 481 311 76 GLY C C 173.874 0.000 1 482 311 76 GLY CA C 45.342 0.020 1 483 311 76 GLY N N 110.181 0.006 1 484 312 77 VAL H H 7.951 0.001 1 485 312 77 VAL HA H 4.226 0.000 1 486 312 77 VAL HB H 2.115 0.000 1 487 312 77 VAL C C 176.355 0.000 1 488 312 77 VAL CA C 61.989 0.031 1 489 312 77 VAL CB C 32.853 0.000 1 490 312 77 VAL N N 118.281 0.011 1 491 313 78 GLY H H 8.377 0.001 1 492 313 78 GLY CA C 44.478 0.000 1 493 313 78 GLY N N 112.428 0.009 1 494 314 79 PRO HA H 4.443 0.000 1 495 314 79 PRO HB2 H 1.987 0.000 2 496 314 79 PRO HB3 H 2.277 0.000 2 497 314 79 PRO C C 177.759 0.000 1 498 314 79 PRO CA C 63.502 0.000 1 499 314 79 PRO CB C 32.078 0.000 1 500 315 80 GLY H H 8.590 0.001 1 501 315 80 GLY HA2 H 3.985 0.000 1 502 315 80 GLY C C 174.309 0.000 1 503 315 80 GLY CA C 45.265 0.014 1 504 315 80 GLY N N 109.861 0.005 1 505 316 81 SER H H 8.165 0.001 1 506 316 81 SER HA H 4.441 0.000 1 507 316 81 SER HB2 H 3.858 0.000 1 508 316 81 SER C C 174.405 0.000 1 509 316 81 SER CA C 58.497 0.071 1 510 316 81 SER CB C 64.048 0.002 1 511 316 81 SER N N 115.430 0.013 1 512 317 82 ASN H H 8.550 0.001 1 513 317 82 ASN HA H 4.748 0.000 1 514 317 82 ASN HB2 H 2.772 0.000 2 515 317 82 ASN HB3 H 2.847 0.000 2 516 317 82 ASN C C 174.895 0.000 1 517 317 82 ASN CA C 53.414 0.031 1 518 317 82 ASN CB C 39.012 0.030 1 519 317 82 ASN N N 120.550 0.012 1 520 318 83 ASP H H 8.251 0.001 1 521 318 83 ASP HA H 4.573 0.000 1 522 318 83 ASP HB2 H 2.623 0.000 2 523 318 83 ASP HB3 H 2.737 0.000 2 524 318 83 ASP C C 176.707 0.000 1 525 318 83 ASP CA C 54.823 0.000 1 526 318 83 ASP CB C 41.045 0.028 1 527 318 83 ASP N N 120.535 0.009 1 528 319 84 GLU H H 8.538 0.001 1 529 319 84 GLU HA H 4.239 0.000 1 530 319 84 GLU HB2 H 2.000 0.000 2 531 319 84 GLU HB3 H 2.108 0.000 2 532 319 84 GLU C C 177.397 0.000 1 533 319 84 GLU CA C 57.629 0.004 1 534 319 84 GLU CB C 29.866 0.004 1 535 319 84 GLU N N 122.013 0.009 1 536 320 85 THR H H 8.265 0.001 1 537 320 85 THR HA H 4.217 0.000 1 538 320 85 THR C C 175.221 0.000 1 539 320 85 THR CA C 63.298 0.055 1 540 320 85 THR CB C 69.508 0.041 1 541 320 85 THR N N 114.850 0.005 1 542 321 86 LEU H H 8.015 0.002 1 543 321 86 LEU HA H 4.314 0.000 1 544 321 86 LEU HB2 H 1.624 0.000 2 545 321 86 LEU HB3 H 1.698 0.000 2 546 321 86 LEU C C 177.747 0.000 1 547 321 86 LEU CA C 55.852 0.020 1 548 321 86 LEU CB C 42.105 0.029 1 549 321 86 LEU N N 123.793 0.031 1 550 322 87 LEU H H 8.088 0.002 1 551 322 87 LEU HA H 4.298 0.000 1 552 322 87 LEU HB2 H 1.590 0.000 2 553 322 87 LEU HB3 H 1.687 0.000 2 554 322 87 LEU C C 177.947 0.000 1 555 322 87 LEU CA C 55.771 0.007 1 556 322 87 LEU CB C 42.107 0.035 1 557 322 87 LEU N N 121.659 0.028 1 558 323 88 SER H H 8.102 0.000 1 559 323 88 SER HA H 4.380 0.000 1 560 323 88 SER HB2 H 3.895 0.000 1 561 323 88 SER C C 174.744 0.000 1 562 323 88 SER CA C 58.837 0.003 1 563 323 88 SER CB C 63.694 0.014 1 564 323 88 SER N N 115.538 0.008 1 565 324 89 ALA H H 8.173 0.005 1 566 324 89 ALA HA H 4.334 0.000 1 567 324 89 ALA HB H 1.425 0.000 1 568 324 89 ALA C C 178.317 0.000 1 569 324 89 ALA CA C 53.132 0.016 1 570 324 89 ALA CB C 19.029 0.001 1 571 324 89 ALA N N 125.718 0.043 1 572 325 90 VAL H H 7.945 0.001 1 573 325 90 VAL HA H 4.021 0.000 1 574 325 90 VAL HB H 2.091 0.000 1 575 325 90 VAL C C 176.519 0.000 1 576 325 90 VAL CA C 62.975 0.034 1 577 325 90 VAL CB C 32.571 0.097 1 578 325 90 VAL N N 118.492 0.027 1 579 326 91 ALA H H 8.232 0.002 1 580 326 91 ALA HA H 4.279 0.000 1 581 326 91 ALA HB H 1.420 0.000 1 582 326 91 ALA C C 178.316 0.000 1 583 326 91 ALA CA C 53.186 0.006 1 584 326 91 ALA CB C 18.940 0.003 1 585 326 91 ALA N N 126.375 0.014 1 586 327 92 SER H H 8.175 0.001 1 587 327 92 SER HA H 4.357 0.000 1 588 327 92 SER HB2 H 3.883 0.000 1 589 327 92 SER C C 174.723 0.000 1 590 327 92 SER CA C 58.856 0.028 1 591 327 92 SER CB C 63.747 0.018 1 592 327 92 SER N N 114.429 0.010 1 593 328 93 ALA H H 8.150 0.002 1 594 328 93 ALA HA H 4.309 0.000 1 595 328 93 ALA HB H 1.386 0.000 1 596 328 93 ALA C C 177.769 0.000 1 597 328 93 ALA CA C 52.773 0.027 1 598 328 93 ALA CB C 19.008 0.003 1 599 328 93 ALA N N 125.410 0.101 1 600 329 94 LEU H H 7.990 0.001 1 601 329 94 LEU HA H 4.273 0.000 1 602 329 94 LEU HB2 H 1.577 0.000 1 603 329 94 LEU C C 177.361 0.000 1 604 329 94 LEU CA C 55.465 0.003 1 605 329 94 LEU CB C 42.390 0.037 1 606 329 94 LEU N N 119.990 0.006 1 607 330 95 HIS H H 8.237 0.006 1 608 330 95 HIS HA H 4.719 0.000 1 609 330 95 HIS HB2 H 3.131 0.000 2 610 330 95 HIS HB3 H 3.221 0.000 2 611 330 95 HIS C C 175.296 0.000 1 612 330 95 HIS CA C 55.946 0.000 1 613 330 95 HIS CB C 30.051 0.001 1 614 330 95 HIS N N 119.469 0.081 1 615 331 96 THR H H 8.064 0.001 1 616 331 96 THR HA H 4.369 0.000 1 617 331 96 THR HB H 4.241 0.000 1 618 331 96 THR C C 174.516 0.000 1 619 331 96 THR CA C 61.862 0.000 1 620 331 96 THR CB C 69.888 0.000 1 621 331 96 THR N N 115.082 0.033 1 622 332 97 SER H H 8.373 0.002 1 623 332 97 SER HA H 4.520 0.000 1 624 332 97 SER HB2 H 3.900 0.000 1 625 332 97 SER C C 174.475 0.000 1 626 332 97 SER CA C 58.379 0.065 1 627 332 97 SER CB C 63.991 0.003 1 628 332 97 SER N N 117.946 0.011 1 629 333 98 SER H H 8.329 0.002 1 630 333 98 SER HA H 4.485 0.000 1 631 333 98 SER HB2 H 3.865 0.000 1 632 333 98 SER C C 173.680 0.000 1 633 333 98 SER CA C 58.171 0.000 1 634 333 98 SER CB C 63.994 0.000 1 635 333 98 SER N N 117.898 0.025 1 636 334 99 ALA H H 8.218 0.001 1 637 334 99 ALA CA C 50.651 0.000 1 638 334 99 ALA CB C 18.190 0.000 1 639 334 99 ALA N N 127.029 0.015 1 640 335 100 PRO HA H 4.443 0.000 1 641 335 100 PRO HB2 H 1.868 0.000 2 642 335 100 PRO HB3 H 2.266 0.000 2 643 335 100 PRO C C 176.998 0.000 1 644 335 100 PRO CA C 63.005 0.000 1 645 335 100 PRO CB C 31.923 0.000 1 646 336 101 ILE H H 8.329 0.001 1 647 336 101 ILE HA H 4.207 0.000 1 648 336 101 ILE HB H 1.871 0.000 1 649 336 101 ILE C C 176.686 0.000 1 650 336 101 ILE CA C 61.322 0.040 1 651 336 101 ILE CB C 38.621 0.039 1 652 336 101 ILE N N 121.242 0.041 1 653 337 102 THR H H 8.166 0.001 1 654 337 102 THR HA H 4.356 0.000 1 655 337 102 THR HB H 4.217 0.000 1 656 337 102 THR C C 175.000 0.000 1 657 337 102 THR CA C 61.973 0.029 1 658 337 102 THR CB C 69.937 0.029 1 659 337 102 THR N N 117.847 0.010 1 660 338 103 GLY H H 8.398 0.001 1 661 338 103 GLY HA2 H 3.970 0.000 1 662 338 103 GLY C C 173.912 0.000 1 663 338 103 GLY CA C 45.284 0.012 1 664 338 103 GLY N N 111.104 0.043 1 665 339 104 GLN H H 8.223 0.001 1 666 339 104 GLN HA H 4.375 0.000 1 667 339 104 GLN HB2 H 1.962 0.000 2 668 339 104 GLN HB3 H 2.070 0.000 2 669 339 104 GLN C C 176.093 0.000 1 670 339 104 GLN CA C 55.757 0.004 1 671 339 104 GLN CB C 29.591 0.015 1 672 339 104 GLN N N 120.023 0.010 1 673 340 105 VAL H H 8.287 0.002 1 674 340 105 VAL HA H 4.149 0.000 1 675 340 105 VAL HB H 2.082 0.000 1 676 340 105 VAL C C 176.215 0.000 1 677 340 105 VAL CA C 62.343 0.005 1 678 340 105 VAL CB C 32.803 0.048 1 679 340 105 VAL N N 121.879 0.016 1 680 341 106 SER H H 8.402 0.001 1 681 341 106 SER HA H 4.439 0.000 1 682 341 106 SER HB2 H 3.851 0.000 1 683 341 106 SER C C 174.184 0.000 1 684 341 106 SER CA C 58.231 0.051 1 685 341 106 SER CB C 63.945 0.006 1 686 341 106 SER N N 119.731 0.012 1 687 342 107 ALA H H 8.360 0.001 1 688 342 107 ALA HA H 4.319 0.000 1 689 342 107 ALA HB H 1.379 0.000 1 690 342 107 ALA C C 177.318 0.000 1 691 342 107 ALA CA C 52.446 0.031 1 692 342 107 ALA CB C 19.270 0.003 1 693 342 107 ALA N N 126.401 0.011 1 694 343 108 ALA H H 8.220 0.001 1 695 343 108 ALA HA H 4.307 0.000 1 696 343 108 ALA HB H 1.361 0.000 1 697 343 108 ALA C C 177.747 0.000 1 698 343 108 ALA CA C 52.455 0.009 1 699 343 108 ALA CB C 19.087 0.026 1 700 343 108 ALA N N 123.411 0.014 1 701 344 109 VAL H H 8.024 0.001 1 702 344 109 VAL HA H 4.074 0.000 1 703 344 109 VAL HB H 2.059 0.000 1 704 344 109 VAL C C 176.228 0.000 1 705 344 109 VAL CA C 62.316 0.010 1 706 344 109 VAL CB C 32.773 0.000 1 707 344 109 VAL N N 119.319 0.024 1 708 345 110 GLU H H 8.432 0.001 1 709 345 110 GLU HA H 4.247 0.000 1 710 345 110 GLU HB2 H 1.929 0.000 2 711 345 110 GLU HB3 H 2.002 0.000 2 712 345 110 GLU C C 176.261 0.000 1 713 345 110 GLU CA C 56.569 0.020 1 714 345 110 GLU CB C 30.250 0.021 1 715 345 110 GLU N N 124.649 0.009 1 716 346 111 LYS H H 8.334 0.002 1 717 346 111 LYS HA H 4.266 0.000 1 718 346 111 LYS HB2 H 1.745 0.000 1 719 346 111 LYS C C 175.959 0.000 1 720 346 111 LYS CA C 56.247 0.034 1 721 346 111 LYS CB C 33.004 0.031 1 722 346 111 LYS N N 122.611 0.029 1 723 347 112 ASN H H 8.477 0.001 1 724 347 112 ASN CA C 51.152 0.000 1 725 347 112 ASN CB C 38.940 0.000 1 726 347 112 ASN N N 120.764 0.010 1 727 348 113 PRO HA H 4.300 0.000 1 728 348 113 PRO HB2 H 2.235 0.000 2 729 348 113 PRO HB3 H 1.919 0.000 2 730 348 113 PRO C C 176.633 0.000 1 731 348 113 PRO CA C 63.426 0.000 1 732 348 113 PRO CB C 32.074 0.000 1 733 349 114 ALA H H 8.192 0.001 1 734 349 114 ALA HA H 4.174 0.000 1 735 349 114 ALA HB H 1.256 0.000 1 736 349 114 ALA C C 177.965 0.000 1 737 349 114 ALA CA C 52.690 0.024 1 738 349 114 ALA CB C 18.781 0.012 1 739 349 114 ALA N N 122.936 0.011 1 740 350 115 VAL H H 7.792 0.001 1 741 350 115 VAL HA H 4.028 0.000 1 742 350 115 VAL HB H 2.017 0.000 1 743 350 115 VAL C C 175.823 0.000 1 744 350 115 VAL CA C 62.494 0.007 1 745 350 115 VAL CB C 32.728 0.018 1 746 350 115 VAL N N 117.829 0.004 1 747 351 116 TRP H H 8.010 0.000 1 748 351 116 TRP HA H 4.687 0.000 1 749 351 116 TRP HB2 H 3.196 0.000 2 750 351 116 TRP HB3 H 3.275 0.000 2 751 351 116 TRP C C 175.792 0.000 1 752 351 116 TRP CA C 57.038 0.011 1 753 351 116 TRP CB C 29.464 0.015 1 754 351 116 TRP N N 123.686 0.021 1 755 352 117 LEU H H 7.882 0.001 1 756 352 117 LEU HA H 4.287 0.000 1 757 352 117 LEU HB2 H 1.487 0.000 1 758 352 117 LEU C C 176.548 0.000 1 759 352 117 LEU CA C 54.974 0.020 1 760 352 117 LEU CB C 42.621 0.044 1 761 352 117 LEU N N 123.902 0.008 1 762 353 118 ASN H H 8.225 0.001 1 763 353 118 ASN HA H 4.632 0.000 1 764 353 118 ASN HB2 H 2.679 0.000 2 765 353 118 ASN HB3 H 2.832 0.000 2 766 353 118 ASN C C 175.417 0.000 1 767 353 118 ASN CA C 53.318 0.001 1 768 353 118 ASN CB C 38.700 0.001 1 769 353 118 ASN N N 119.556 0.022 1 770 354 119 THR H H 8.042 0.002 1 771 354 119 THR HA H 4.377 0.000 1 772 354 119 THR HB H 4.308 0.000 1 773 354 119 THR C C 174.581 0.000 1 774 354 119 THR CA C 61.764 0.071 1 775 354 119 THR CB C 69.766 0.035 1 776 354 119 THR N N 113.884 0.016 1 777 355 120 SER H H 8.288 0.001 1 778 355 120 SER HA H 4.490 0.000 1 779 355 120 SER HB2 H 3.877 0.000 1 780 355 120 SER C C 173.507 0.000 1 781 355 120 SER CA C 58.541 0.053 1 782 355 120 SER CB C 64.000 0.005 1 783 355 120 SER N N 118.347 0.009 1 784 356 121 GLN H H 7.995 0.001 1 785 356 121 GLN CA C 57.469 0.000 1 786 356 121 GLN CB C 30.414 0.000 1 787 356 121 GLN N N 126.939 0.014 1 stop_ save_