data_34140 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RNA binding domain of Nrd1 ; _BMRB_accession_number 34140 _BMRB_flat_file_name bmr34140.str _Entry_type original _Submission_date 2017-05-19 _Accession_date 2017-05-19 _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 Martinez-Lumbreras S. . . 2 Perez-Canadillas J. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1017 "13C chemical shifts" 453 "15N chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-10-17 update BMRB 'update entry citation' 2017-07-27 original author 'original release' stop_ _Original_release_date 2017-07-25 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28973465 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Franco-Echevarria E. . . 2 Gonzalez-Polo N. . . 3 Zorrilla S. . . 4 Martinez-Lumbreras S. . . 5 Santiveri C. M. . 6 Campos-Olivas R. . . 7 Sanchez M. . . 8 Calvo O. . . 9 Gonzalez B. . . 10 Perez-Canadillas J. M. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 45 _Journal_issue 17 _Journal_ASTM NARHAD _Journal_ISSN 1362-4962 _Journal_CSD 0389 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10293 _Page_last 10305 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein NRD1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 20051.533 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; SIGAPNTTFGTNNHHLYPDE LNVSNNPHYRPKPVSYDSTL PPDHIKVYSRTLFIGGVPLN MKEWDLANVLKPFAEVQSVI LNNSRKHAFVKVYSRHEAEN VLQNFNKDGALPLRTRWGVG FGPRDCCDYQHGYSIIPMHR LTDADKKWSVSAQWGGTSGQ PLVTGIVFEEPDIIVGEGV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 290 SER 2 291 ILE 3 292 GLY 4 293 ALA 5 294 PRO 6 295 ASN 7 296 THR 8 297 THR 9 298 PHE 10 299 GLY 11 300 THR 12 301 ASN 13 302 ASN 14 303 HIS 15 304 HIS 16 305 LEU 17 306 TYR 18 307 PRO 19 308 ASP 20 309 GLU 21 310 LEU 22 311 ASN 23 312 VAL 24 313 SER 25 314 ASN 26 315 ASN 27 316 PRO 28 317 HIS 29 318 TYR 30 319 ARG 31 320 PRO 32 321 LYS 33 322 PRO 34 323 VAL 35 324 SER 36 325 TYR 37 326 ASP 38 327 SER 39 328 THR 40 329 LEU 41 330 PRO 42 331 PRO 43 332 ASP 44 333 HIS 45 334 ILE 46 335 LYS 47 336 VAL 48 337 TYR 49 338 SER 50 339 ARG 51 340 THR 52 341 LEU 53 342 PHE 54 343 ILE 55 344 GLY 56 345 GLY 57 346 VAL 58 347 PRO 59 348 LEU 60 349 ASN 61 350 MET 62 351 LYS 63 352 GLU 64 353 TRP 65 354 ASP 66 355 LEU 67 356 ALA 68 357 ASN 69 358 VAL 70 359 LEU 71 360 LYS 72 361 PRO 73 362 PHE 74 363 ALA 75 364 GLU 76 365 VAL 77 366 GLN 78 367 SER 79 368 VAL 80 369 ILE 81 370 LEU 82 371 ASN 83 372 ASN 84 373 SER 85 374 ARG 86 375 LYS 87 376 HIS 88 377 ALA 89 378 PHE 90 379 VAL 91 380 LYS 92 381 VAL 93 382 TYR 94 383 SER 95 384 ARG 96 385 HIS 97 386 GLU 98 387 ALA 99 388 GLU 100 389 ASN 101 390 VAL 102 391 LEU 103 392 GLN 104 393 ASN 105 394 PHE 106 395 ASN 107 396 LYS 108 397 ASP 109 398 GLY 110 399 ALA 111 400 LEU 112 401 PRO 113 402 LEU 114 403 ARG 115 404 THR 116 405 ARG 117 406 TRP 118 407 GLY 119 408 VAL 120 409 GLY 121 410 PHE 122 411 GLY 123 412 PRO 124 413 ARG 125 414 ASP 126 415 CYS 127 416 CYS 128 417 ASP 129 418 TYR 130 419 GLN 131 420 HIS 132 421 GLY 133 422 TYR 134 423 SER 135 424 ILE 136 425 ILE 137 426 PRO 138 427 MET 139 428 HIS 140 429 ARG 141 430 LEU 142 431 THR 143 432 ASP 144 433 ALA 145 434 ASP 146 435 LYS 147 436 LYS 148 437 TRP 149 438 SER 150 439 VAL 151 440 SER 152 441 ALA 153 442 GLN 154 443 TRP 155 444 GLY 156 445 GLY 157 446 THR 158 447 SER 159 448 GLY 160 449 GLN 161 450 PRO 162 451 LEU 163 452 VAL 164 453 THR 165 454 GLY 166 455 ILE 167 456 VAL 168 457 PHE 169 458 GLU 170 459 GLU 171 460 PRO 172 461 ASP 173 462 ILE 174 463 ILE 175 464 VAL 176 465 GLY 177 466 GLU 178 467 GLY 179 468 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 'NRD1, YNL251C, N0868' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '600 uM [U-100% 13C; U-100% 15N] Nrd1, 25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' $entity_1 600 uM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '800 uM Nrd1, 25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' $entity_1 800 uM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 400 uM [U-100% 13C; U-100% 15N] expect for Phe and Leu residues Nrd1, 25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' $entity_1 400 uM '[U-100% 13C; U-100% 15N] expect for Phe and Leu residues' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 400 uM [U-100% 13C; U-100% 15N] expect for Ile residues Nrd1, 25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' $entity_1 400 uM '[U-100% 13C; U-100% 15N] expect for Ile residues' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; 400 uM [U-100% 13C; U-100% 15N] expect for Arg residues Nrd1, 25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 1 mM 'natural abundance' $entity_1 400 uM '[U-100% 13C; U-100% 15N] expect for Arg residues' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_F1filtered_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY F1filtered' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_F1filtered_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY F1filtered' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_F1filtered_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY F1filtered' _Sample_label $sample_5 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' 59.1 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HNCO' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '2D 1H-1H NOESY' '3D 1H-15N NOESY' '2D 1H-1H NOESY F1filtered' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 291 2 ILE H H 8.203 0.003 1 2 291 2 ILE HA H 4.145 0.007 1 3 291 2 ILE HB H 1.770 0.006 1 4 291 2 ILE HG12 H 1.394 0.005 2 5 291 2 ILE HG13 H 1.051 0.009 2 6 291 2 ILE HG2 H 0.797 0.007 1 7 291 2 ILE HD1 H 0.693 0.008 1 8 291 2 ILE CA C 61.183 0.108 1 9 291 2 ILE CB C 38.586 0.010 1 10 291 2 ILE CG1 C 27.046 0.035 1 11 291 2 ILE CG2 C 17.288 0.022 1 12 291 2 ILE CD1 C 12.880 0.030 1 13 291 2 ILE N N 121.927 0.024 1 14 292 3 GLY H H 8.313 0.004 1 15 292 3 GLY HA2 H 3.846 0.002 2 16 292 3 GLY N N 112.162 0.019 1 17 293 4 ALA H H 8.097 0.005 1 18 293 4 ALA HA H 4.533 0.003 1 19 293 4 ALA HB H 1.280 0.003 1 20 293 4 ALA CA C 50.194 0.041 1 21 293 4 ALA CB C 18.075 0.000 1 22 293 4 ALA N N 124.494 0.031 1 23 294 5 PRO HA H 4.437 0.011 1 24 294 5 PRO HB2 H 1.783 0.004 2 25 294 5 PRO HB3 H 2.156 0.003 2 26 294 5 PRO HG2 H 1.908 0.004 2 27 294 5 PRO HD2 H 3.723 0.005 2 28 294 5 PRO HD3 H 3.561 0.003 2 29 294 5 PRO CA C 62.855 0.000 1 30 294 5 PRO CB C 32.018 0.007 1 31 294 5 PRO CD C 50.206 0.021 1 32 295 6 ASN H H 8.575 0.003 1 33 295 6 ASN HA H 4.600 0.006 1 34 295 6 ASN HB2 H 2.729 0.000 2 35 295 6 ASN HB3 H 2.651 0.003 2 36 295 6 ASN HD21 H 7.420 0.005 1 37 295 6 ASN HD22 H 6.558 0.009 1 38 295 6 ASN N N 119.106 0.034 1 39 295 6 ASN ND2 N 112.327 0.030 1 40 296 7 THR H H 8.118 0.003 1 41 296 7 THR HA H 4.373 0.002 1 42 296 7 THR HB H 4.154 0.051 1 43 296 7 THR HG2 H 1.015 0.004 1 44 296 7 THR CB C 69.442 0.000 1 45 296 7 THR CG2 C 21.240 0.000 1 46 296 7 THR N N 113.673 0.023 1 47 297 8 THR H H 8.027 0.002 1 48 297 8 THR HA H 4.269 0.003 1 49 297 8 THR HB H 4.045 0.001 1 50 297 8 THR HG2 H 1.034 0.003 1 51 297 8 THR CB C 69.619 0.000 1 52 297 8 THR CG2 C 21.304 0.000 1 53 297 8 THR N N 116.221 0.020 1 54 298 9 PHE H H 8.258 0.004 1 55 298 9 PHE HA H 4.591 0.003 1 56 298 9 PHE HB2 H 3.125 0.006 2 57 298 9 PHE HB3 H 2.936 0.004 2 58 298 9 PHE HD1 H 7.144 0.003 3 59 298 9 PHE HD2 H 7.144 0.003 3 60 298 9 PHE HE1 H 7.178 0.005 3 61 298 9 PHE HE2 H 7.178 0.005 3 62 298 9 PHE HZ H 6.994 0.012 1 63 298 9 PHE CA C 57.902 0.000 1 64 298 9 PHE CB C 39.271 0.008 1 65 298 9 PHE CE1 C 129.429 0.000 3 66 298 9 PHE CE2 C 129.429 0.000 3 67 298 9 PHE N N 121.988 0.012 1 68 299 10 GLY H H 8.253 0.003 1 69 299 10 GLY HA2 H 3.900 0.000 2 70 299 10 GLY HA3 H 3.982 0.001 2 71 299 10 GLY N N 109.872 0.030 1 72 300 11 THR H H 8.083 0.004 1 73 300 11 THR HA H 4.187 0.003 1 74 300 11 THR HB H 4.095 0.000 1 75 300 11 THR HG2 H 1.115 0.002 1 76 300 11 THR CA C 62.358 0.000 1 77 300 11 THR N N 113.589 0.034 1 78 301 12 ASN H H 8.549 0.005 1 79 301 12 ASN HA H 4.565 0.007 1 80 301 12 ASN HB2 H 2.651 0.002 2 81 301 12 ASN HB3 H 2.725 0.002 2 82 301 12 ASN HD21 H 7.506 0.002 1 83 301 12 ASN HD22 H 6.875 0.002 1 84 301 12 ASN N N 119.728 0.029 1 85 301 12 ASN ND2 N 112.895 0.020 1 86 302 13 ASN H H 8.037 0.004 1 87 302 13 ASN HA H 4.599 0.002 1 88 302 13 ASN HB2 H 2.514 0.003 2 89 302 13 ASN HB3 H 2.629 0.007 2 90 302 13 ASN HD21 H 7.469 0.006 1 91 302 13 ASN HD22 H 6.667 0.010 1 92 302 13 ASN N N 118.402 0.026 1 93 302 13 ASN ND2 N 112.208 0.045 1 94 303 14 HIS H H 8.456 0.006 1 95 303 14 HIS HA H 4.583 0.010 1 96 303 14 HIS HB2 H 2.944 0.004 2 97 303 14 HIS HB3 H 3.210 0.017 2 98 303 14 HIS HD2 H 6.974 0.017 1 99 303 14 HIS HE1 H 8.047 0.038 1 100 303 14 HIS CA C 56.145 0.000 1 101 303 14 HIS CB C 29.481 0.000 1 102 303 14 HIS CD2 C 120.580 0.000 1 103 303 14 HIS CE1 C 137.883 0.000 1 104 303 14 HIS N N 117.881 0.039 1 105 304 15 HIS H H 8.113 0.022 1 106 304 15 HIS HA H 4.210 0.011 1 107 304 15 HIS HB2 H 3.343 0.011 2 108 304 15 HIS HB3 H 2.921 0.007 2 109 304 15 HIS HD2 H 6.639 0.021 1 110 304 15 HIS HE1 H 7.523 0.016 1 111 304 15 HIS CB C 27.926 0.000 1 112 304 15 HIS CD2 C 123.897 0.000 1 113 304 15 HIS CE1 C 137.810 0.000 1 114 304 15 HIS N N 120.588 0.039 1 115 305 16 LEU H H 7.642 0.002 1 116 305 16 LEU HA H 3.642 0.004 1 117 305 16 LEU HB2 H 1.003 0.014 2 118 305 16 LEU HB3 H 0.745 0.066 2 119 305 16 LEU HG H 0.800 0.005 1 120 305 16 LEU HD1 H -0.207 0.005 2 121 305 16 LEU HD2 H 0.057 0.021 2 122 305 16 LEU CA C 57.208 0.000 1 123 305 16 LEU CB C 40.705 0.018 1 124 305 16 LEU CG C 28.050 0.000 1 125 305 16 LEU CD1 C 20.830 0.220 2 126 305 16 LEU CD2 C 24.652 0.020 2 127 305 16 LEU N N 123.412 0.010 1 128 306 17 TYR H H 8.963 0.015 1 129 306 17 TYR HA H 4.905 0.008 1 130 306 17 TYR HB2 H 3.054 0.003 2 131 306 17 TYR HB3 H 2.907 0.003 2 132 306 17 TYR HD1 H 7.272 0.004 3 133 306 17 TYR HD2 H 7.272 0.004 3 134 306 17 TYR HE1 H 7.006 0.006 3 135 306 17 TYR HE2 H 7.006 0.006 3 136 306 17 TYR CA C 54.058 0.000 1 137 306 17 TYR CB C 36.681 0.013 1 138 306 17 TYR CD1 C 135.324 0.000 3 139 306 17 TYR CD2 C 135.324 0.000 3 140 306 17 TYR CE1 C 117.814 0.000 3 141 306 17 TYR CE2 C 117.814 0.000 3 142 306 17 TYR N N 117.486 0.015 1 143 307 18 PRO HA H 4.113 0.003 1 144 307 18 PRO HB2 H 2.226 0.000 2 145 307 18 PRO HB3 H 1.850 0.000 2 146 307 18 PRO HG3 H 1.987 0.000 2 147 307 18 PRO HD2 H 3.656 0.003 2 148 307 18 PRO HD3 H 3.469 0.001 2 149 308 19 ASP H H 8.671 0.003 1 150 308 19 ASP HA H 4.515 0.002 1 151 308 19 ASP HB2 H 2.724 0.001 2 152 308 19 ASP HB3 H 2.809 0.000 2 153 308 19 ASP N N 116.202 0.006 1 154 309 20 GLU H H 7.377 0.002 1 155 309 20 GLU HA H 4.502 0.000 1 156 309 20 GLU HB2 H 2.243 0.008 2 157 309 20 GLU HB3 H 2.135 0.001 2 158 309 20 GLU HG2 H 3.152 0.004 2 159 309 20 GLU HG3 H 2.473 0.002 2 160 309 20 GLU CA C 56.086 0.000 1 161 309 20 GLU CB C 30.268 0.010 1 162 309 20 GLU CG C 34.499 0.000 1 163 309 20 GLU N N 117.998 0.035 1 164 310 21 LEU H H 8.670 0.002 1 165 310 21 LEU HA H 4.672 0.009 1 166 310 21 LEU HB2 H 1.611 0.004 2 167 310 21 LEU HB3 H 1.224 0.004 2 168 310 21 LEU HG H 1.607 0.001 1 169 310 21 LEU HD1 H 0.842 0.003 2 170 310 21 LEU HD2 H 0.766 0.004 2 171 310 21 LEU CA C 53.097 0.000 1 172 310 21 LEU CB C 46.119 0.016 1 173 310 21 LEU CG C 26.724 0.000 1 174 310 21 LEU CD1 C 25.321 0.046 2 175 310 21 LEU CD2 C 22.812 0.017 2 176 310 21 LEU N N 119.924 0.016 1 177 311 22 ASN H H 8.498 0.003 1 178 311 22 ASN HA H 4.311 0.006 1 179 311 22 ASN HB2 H -0.503 0.003 2 180 311 22 ASN HB3 H 2.124 0.004 2 181 311 22 ASN HD21 H 5.987 0.005 1 182 311 22 ASN HD22 H 6.791 0.004 1 183 311 22 ASN N N 122.692 0.015 1 184 311 22 ASN ND2 N 103.439 0.041 1 185 312 23 VAL H H 7.416 0.003 1 186 312 23 VAL HA H 4.623 0.002 1 187 312 23 VAL HB H 2.180 0.004 1 188 312 23 VAL HG1 H 0.794 0.007 2 189 312 23 VAL HG2 H 0.804 0.004 2 190 312 23 VAL CA C 58.571 0.000 1 191 312 23 VAL CB C 35.134 0.000 1 192 312 23 VAL CG1 C 18.171 0.038 2 193 312 23 VAL CG2 C 21.972 0.008 2 194 312 23 VAL N N 115.566 0.013 1 195 313 24 SER H H 8.267 0.003 1 196 313 24 SER HA H 2.850 0.003 1 197 313 24 SER HB2 H 3.436 0.008 2 198 313 24 SER HB3 H 3.186 0.008 2 199 313 24 SER CA C 61.124 0.015 1 200 313 24 SER CB C 62.342 0.032 1 201 313 24 SER N N 115.699 0.015 1 202 314 25 ASN H H 7.662 0.003 1 203 314 25 ASN HA H 4.503 0.003 1 204 314 25 ASN HB2 H 2.838 0.002 2 205 314 25 ASN HB3 H 2.608 0.004 2 206 314 25 ASN HD21 H 7.480 0.002 1 207 314 25 ASN HD22 H 6.714 0.002 1 208 314 25 ASN CA C 53.096 0.004 1 209 314 25 ASN CB C 37.207 0.011 1 210 314 25 ASN N N 115.801 0.039 1 211 314 25 ASN ND2 N 111.886 0.032 1 212 315 26 ASN H H 8.276 0.003 1 213 315 26 ASN HA H 4.924 0.003 1 214 315 26 ASN HB2 H 3.584 0.004 2 215 315 26 ASN HB3 H 2.998 0.005 2 216 315 26 ASN HD21 H 8.134 0.002 1 217 315 26 ASN HD22 H 8.071 0.007 1 218 315 26 ASN CA C 49.791 0.000 1 219 315 26 ASN CB C 39.559 0.000 1 220 315 26 ASN N N 122.279 0.032 1 221 315 26 ASN ND2 N 115.321 0.013 1 222 316 27 PRO HA H 4.307 0.020 1 223 316 27 PRO HB2 H 2.258 0.000 2 224 316 27 PRO HD2 H 3.782 0.000 2 225 316 27 PRO HD3 H 3.665 0.000 2 226 317 28 HIS H H 8.427 0.003 1 227 317 28 HIS HA H 4.003 0.005 1 228 317 28 HIS HB2 H 2.314 0.004 2 229 317 28 HIS HB3 H 1.772 0.011 2 230 317 28 HIS HD2 H 6.558 0.001 1 231 317 28 HIS HE1 H 6.352 0.006 1 232 317 28 HIS CA C 53.075 0.000 1 233 317 28 HIS CD2 C 115.931 0.000 1 234 317 28 HIS CE1 C 134.602 0.000 1 235 317 28 HIS N N 120.754 0.032 1 236 318 29 TYR H H 8.203 0.002 1 237 318 29 TYR HA H 5.063 0.005 1 238 318 29 TYR HB2 H 3.811 0.007 2 239 318 29 TYR HB3 H 2.537 0.005 2 240 318 29 TYR HD1 H 6.735 0.003 3 241 318 29 TYR HD2 H 6.735 0.003 3 242 318 29 TYR HE1 H 6.515 0.003 3 243 318 29 TYR HE2 H 6.515 0.003 3 244 318 29 TYR CA C 57.335 0.000 1 245 318 29 TYR CB C 38.148 0.000 1 246 318 29 TYR CD1 C 133.455 0.000 3 247 318 29 TYR CD2 C 133.455 0.000 3 248 318 29 TYR CE1 C 117.105 0.000 3 249 318 29 TYR CE2 C 117.105 0.000 3 250 318 29 TYR N N 121.236 0.013 1 251 319 30 ARG H H 8.607 0.005 1 252 319 30 ARG HA H 4.578 0.002 1 253 319 30 ARG HB2 H 1.973 0.004 2 254 319 30 ARG HG2 H 2.229 0.003 2 255 319 30 ARG HG3 H 1.824 0.006 2 256 319 30 ARG HD2 H 2.983 0.000 2 257 319 30 ARG N N 129.387 0.035 1 258 320 31 PRO HA H 4.321 0.002 1 259 320 31 PRO HB2 H 1.619 0.002 2 260 320 31 PRO HB3 H 1.378 0.000 2 261 320 31 PRO HG2 H 1.826 0.000 2 262 320 31 PRO HG3 H 1.374 0.000 2 263 320 31 PRO HD2 H 3.792 0.002 2 264 320 31 PRO HD3 H 3.663 0.003 2 265 320 31 PRO CA C 64.467 0.000 1 266 320 31 PRO CB C 31.815 0.000 1 267 320 31 PRO CG C 26.948 0.005 1 268 320 31 PRO CD C 50.786 0.013 1 269 321 32 LYS H H 8.136 0.002 1 270 321 32 LYS HA H 4.660 0.004 1 271 321 32 LYS HB3 H 1.514 0.000 2 272 321 32 LYS HG2 H 1.104 0.007 2 273 321 32 LYS HG3 H 1.139 0.001 2 274 321 32 LYS HD2 H 1.440 0.004 2 275 321 32 LYS HE2 H 2.979 0.002 2 276 321 32 LYS HE3 H 2.816 0.005 2 277 321 32 LYS CA C 53.258 0.000 1 278 321 32 LYS CE C 43.046 0.004 1 279 321 32 LYS N N 115.330 0.037 1 280 322 33 PRO HA H 4.416 0.002 1 281 322 33 PRO HB2 H 2.212 0.001 2 282 322 33 PRO HB3 H 1.902 0.005 2 283 322 33 PRO HG2 H 2.125 0.002 2 284 322 33 PRO HG3 H 1.789 0.000 2 285 322 33 PRO HD2 H 3.577 0.002 2 286 322 33 PRO HD3 H 3.465 0.002 2 287 322 33 PRO CA C 63.274 0.000 1 288 322 33 PRO CD C 50.810 0.010 1 289 323 34 VAL H H 8.201 0.003 1 290 323 34 VAL HA H 5.058 0.006 1 291 323 34 VAL HB H 1.820 0.004 1 292 323 34 VAL HG1 H 0.803 0.004 2 293 323 34 VAL HG2 H 0.923 0.004 2 294 323 34 VAL CA C 60.673 0.000 1 295 323 34 VAL CB C 35.713 0.000 1 296 323 34 VAL CG1 C 21.539 0.029 2 297 323 34 VAL CG2 C 22.323 0.025 2 298 323 34 VAL N N 126.504 0.017 1 299 324 35 SER H H 8.893 0.004 1 300 324 35 SER HA H 4.608 0.003 1 301 324 35 SER HB2 H 3.870 0.003 2 302 324 35 SER HB3 H 3.733 0.004 2 303 324 35 SER CB C 64.851 0.020 1 304 324 35 SER N N 122.185 0.033 1 305 325 36 TYR H H 8.148 0.003 1 306 325 36 TYR HA H 5.219 0.004 1 307 325 36 TYR HB2 H 2.767 0.003 2 308 325 36 TYR HB3 H 2.634 0.003 2 309 325 36 TYR HD1 H 6.888 0.004 3 310 325 36 TYR HD2 H 6.888 0.004 3 311 325 36 TYR HE1 H 6.645 0.004 3 312 325 36 TYR HE2 H 6.645 0.004 3 313 325 36 TYR CA C 56.666 0.000 1 314 325 36 TYR CB C 40.735 0.006 1 315 325 36 TYR CD1 C 132.919 0.000 3 316 325 36 TYR CD2 C 132.919 0.000 3 317 325 36 TYR CE1 C 117.496 0.000 3 318 325 36 TYR CE2 C 117.496 0.000 3 319 325 36 TYR N N 115.336 0.011 1 320 326 37 ASP H H 9.586 0.003 1 321 326 37 ASP HA H 4.805 0.004 1 322 326 37 ASP HB2 H 2.641 0.009 2 323 326 37 ASP HB3 H 2.194 0.004 2 324 326 37 ASP CA C 52.070 0.000 1 325 326 37 ASP CB C 42.002 0.016 1 326 326 37 ASP N N 125.867 0.022 1 327 327 38 SER H H 8.746 0.003 1 328 327 38 SER HA H 4.238 0.003 1 329 327 38 SER HB2 H 4.023 0.001 2 330 327 38 SER HB3 H 3.864 0.003 2 331 327 38 SER N N 121.438 0.019 1 332 328 39 THR H H 8.902 0.005 1 333 328 39 THR HA H 4.277 0.002 1 334 328 39 THR HB H 4.164 0.005 1 335 328 39 THR HG2 H 1.096 0.011 1 336 328 39 THR CA C 62.348 0.032 1 337 328 39 THR CB C 69.457 0.001 1 338 328 39 THR CG2 C 21.417 0.000 1 339 328 39 THR N N 112.705 0.030 1 340 329 40 LEU H H 6.799 0.002 1 341 329 40 LEU HA H 4.234 0.007 1 342 329 40 LEU HB2 H 1.080 0.003 2 343 329 40 LEU HB3 H 1.614 0.004 2 344 329 40 LEU HG H 1.567 0.003 1 345 329 40 LEU HD1 H 0.695 0.003 2 346 329 40 LEU HD2 H 0.605 0.002 2 347 329 40 LEU CA C 53.073 0.000 1 348 329 40 LEU CB C 39.939 0.000 1 349 329 40 LEU CG C 26.909 0.000 1 350 329 40 LEU CD1 C 26.555 0.023 2 351 329 40 LEU CD2 C 23.569 0.034 2 352 329 40 LEU N N 122.586 0.027 1 353 330 41 PRO HA H 4.466 0.004 1 354 330 41 PRO HB2 H 0.956 0.005 2 355 330 41 PRO HB3 H 2.092 0.004 2 356 330 41 PRO HG2 H 1.555 0.004 2 357 330 41 PRO HG3 H 0.838 0.003 2 358 330 41 PRO HD2 H 3.680 0.008 2 359 330 41 PRO HD3 H 2.761 0.008 2 360 330 41 PRO CA C 61.023 0.000 1 361 330 41 PRO CB C 29.340 0.019 1 362 330 41 PRO CG C 26.251 0.015 1 363 330 41 PRO CD C 49.772 0.034 1 364 331 42 PRO HA H 4.212 0.009 1 365 331 42 PRO HB2 H 2.272 0.007 2 366 331 42 PRO HB3 H 1.794 0.007 2 367 331 42 PRO HG2 H 2.074 0.000 2 368 331 42 PRO HG3 H 1.958 0.003 2 369 331 42 PRO CA C 63.677 0.000 1 370 332 43 ASP H H 9.334 0.003 1 371 332 43 ASP HA H 4.317 0.004 1 372 332 43 ASP HB2 H 3.019 0.004 2 373 332 43 ASP HB3 H 2.859 0.009 2 374 332 43 ASP N N 123.189 0.008 1 375 333 44 HIS H H 7.986 0.005 1 376 333 44 HIS HA H 5.373 0.004 1 377 333 44 HIS HB2 H 3.144 0.003 2 378 333 44 HIS HB3 H 2.661 0.008 2 379 333 44 HIS HD2 H 6.375 0.002 1 380 333 44 HIS HE1 H 7.713 0.005 1 381 333 44 HIS CA C 55.745 0.000 1 382 333 44 HIS CB C 31.316 0.011 1 383 333 44 HIS CD2 C 126.997 0.000 1 384 333 44 HIS CE1 C 139.059 0.000 1 385 333 44 HIS N N 116.498 0.025 1 386 334 45 ILE H H 8.116 0.003 1 387 334 45 ILE HA H 4.817 0.004 1 388 334 45 ILE HB H 1.925 0.003 1 389 334 45 ILE HG12 H 1.182 0.002 2 390 334 45 ILE HG13 H 1.075 0.007 2 391 334 45 ILE HG2 H 0.910 0.004 1 392 334 45 ILE HD1 H 0.832 0.005 1 393 334 45 ILE CA C 59.193 0.000 1 394 334 45 ILE CB C 40.447 0.000 1 395 334 45 ILE CG2 C 19.665 0.011 1 396 334 45 ILE CD1 C 15.121 0.000 1 397 334 45 ILE N N 112.674 0.018 1 398 335 46 LYS H H 8.652 0.005 1 399 335 46 LYS HA H 5.306 0.010 1 400 335 46 LYS HB2 H 1.545 0.000 2 401 335 46 LYS HB3 H 1.256 0.000 2 402 335 46 LYS HD2 H 0.952 0.011 2 403 335 46 LYS HD3 H 0.810 0.000 2 404 335 46 LYS HE2 H 1.481 0.000 2 405 335 46 LYS HE3 H 0.916 0.000 2 406 335 46 LYS CA C 53.896 0.000 1 407 335 46 LYS CD C 29.350 0.030 1 408 335 46 LYS CE C 40.559 0.005 1 409 335 46 LYS N N 122.501 0.026 1 410 336 47 VAL H H 8.253 0.007 1 411 336 47 VAL HA H 4.517 0.006 1 412 336 47 VAL HB H 1.502 0.004 1 413 336 47 VAL HG1 H 0.457 0.003 2 414 336 47 VAL HG2 H 0.036 0.003 2 415 336 47 VAL CA C 58.524 0.000 1 416 336 47 VAL CB C 34.943 0.000 1 417 336 47 VAL CG1 C 20.848 0.023 2 418 336 47 VAL CG2 C 20.954 0.030 2 419 336 47 VAL N N 121.796 0.037 1 420 337 48 TYR H H 8.827 0.005 1 421 337 48 TYR HA H 4.317 0.004 1 422 337 48 TYR HB2 H 2.835 0.006 2 423 337 48 TYR HB3 H 2.547 0.003 2 424 337 48 TYR HD1 H 6.793 0.003 3 425 337 48 TYR HD2 H 6.793 0.003 3 426 337 48 TYR HE1 H 6.558 0.002 3 427 337 48 TYR HE2 H 6.558 0.002 3 428 337 48 TYR CD1 C 132.112 0.000 3 429 337 48 TYR CD2 C 132.112 0.000 3 430 337 48 TYR CE1 C 118.445 0.000 3 431 337 48 TYR CE2 C 118.445 0.000 3 432 337 48 TYR N N 126.794 0.064 1 433 338 49 SER H H 7.845 0.008 1 434 338 49 SER HA H 4.325 0.007 1 435 338 49 SER HB2 H 3.888 0.007 2 436 338 49 SER HB3 H 3.667 0.006 2 437 338 49 SER N N 118.382 0.053 1 438 339 50 ARG H H 9.438 0.006 1 439 339 50 ARG HA H 4.505 0.004 1 440 339 50 ARG HB2 H 2.383 0.003 2 441 339 50 ARG HB3 H 1.445 0.004 2 442 339 50 ARG HG2 H 1.084 0.004 2 443 339 50 ARG HG3 H 1.769 0.021 2 444 339 50 ARG HD2 H 2.979 0.011 2 445 339 50 ARG HD3 H 3.718 0.002 2 446 339 50 ARG HE H 8.143 0.001 1 447 339 50 ARG HH21 H 7.677 0.000 1 448 339 50 ARG N N 124.620 0.066 1 449 339 50 ARG NE N 86.724 0.032 1 450 340 51 THR H H 9.109 0.003 1 451 340 51 THR HA H 4.694 0.006 1 452 340 51 THR HB H 3.560 0.005 1 453 340 51 THR HG1 H 4.826 0.002 1 454 340 51 THR HG2 H 0.867 0.004 1 455 340 51 THR CA C 63.402 0.000 1 456 340 51 THR CB C 69.672 0.000 1 457 340 51 THR CG2 C 21.228 0.084 1 458 340 51 THR N N 118.930 0.038 1 459 341 52 LEU H H 9.446 0.004 1 460 341 52 LEU HA H 4.724 0.005 1 461 341 52 LEU HB2 H 1.472 0.005 2 462 341 52 LEU HB3 H 1.098 0.005 2 463 341 52 LEU HG H 1.430 0.005 1 464 341 52 LEU HD1 H 0.479 0.004 2 465 341 52 LEU HD2 H 0.333 0.003 2 466 341 52 LEU CA C 52.563 0.000 1 467 341 52 LEU CB C 43.792 0.029 1 468 341 52 LEU CG C 26.850 0.000 1 469 341 52 LEU CD1 C 25.051 0.000 2 470 341 52 LEU CD2 C 23.716 0.018 2 471 341 52 LEU N N 125.523 0.043 1 472 342 53 PHE H H 8.887 0.005 1 473 342 53 PHE HA H 4.666 0.008 1 474 342 53 PHE HB2 H 2.580 0.005 2 475 342 53 PHE HB3 H 2.524 0.007 2 476 342 53 PHE HD1 H 6.480 0.005 3 477 342 53 PHE HD2 H 6.480 0.005 3 478 342 53 PHE HE1 H 6.482 0.003 3 479 342 53 PHE HE2 H 6.482 0.003 3 480 342 53 PHE HZ H 6.729 0.004 1 481 342 53 PHE CA C 56.191 0.000 1 482 342 53 PHE CB C 40.224 0.029 1 483 342 53 PHE CD1 C 130.531 0.000 3 484 342 53 PHE CD2 C 130.531 0.000 3 485 342 53 PHE CE1 C 131.358 0.000 3 486 342 53 PHE CE2 C 131.358 0.000 3 487 342 53 PHE CZ C 129.246 0.000 1 488 342 53 PHE N N 123.563 0.052 1 489 343 54 ILE H H 8.372 0.010 1 490 343 54 ILE HA H 4.635 0.005 1 491 343 54 ILE HB H 1.326 0.004 1 492 343 54 ILE HG12 H 1.156 0.003 2 493 343 54 ILE HG13 H 0.938 0.004 2 494 343 54 ILE HG2 H 0.583 0.004 1 495 343 54 ILE HD1 H 0.423 0.003 1 496 343 54 ILE CA C 59.037 0.000 1 497 343 54 ILE CB C 38.809 0.000 1 498 343 54 ILE CG1 C 26.664 0.005 1 499 343 54 ILE CG2 C 18.167 0.000 1 500 343 54 ILE CD1 C 12.860 0.036 1 501 343 54 ILE N N 126.903 0.049 1 502 344 55 GLY H H 8.663 0.003 1 503 344 55 GLY HA2 H 4.626 0.005 2 504 344 55 GLY HA3 H 3.634 0.004 2 505 344 55 GLY CA C 42.538 0.014 1 506 344 55 GLY N N 112.369 0.023 1 507 345 56 GLY H H 8.382 0.004 1 508 345 56 GLY HA2 H 4.089 0.003 2 509 345 56 GLY HA3 H 3.524 0.003 2 510 345 56 GLY CA C 45.716 0.000 1 511 345 56 GLY N N 107.757 0.013 1 512 346 57 VAL H H 7.392 0.006 1 513 346 57 VAL HA H 3.437 0.003 1 514 346 57 VAL HB H 1.280 0.006 1 515 346 57 VAL HG1 H 0.773 0.004 2 516 346 57 VAL HG2 H 0.419 0.004 2 517 346 57 VAL CA C 60.830 0.004 1 518 346 57 VAL CB C 32.284 0.000 1 519 346 57 VAL CG1 C 21.387 0.048 2 520 346 57 VAL CG2 C 21.848 0.034 2 521 346 57 VAL N N 120.906 0.036 1 522 347 58 PRO HA H 4.333 0.005 1 523 347 58 PRO HB2 H 2.268 0.003 2 524 347 58 PRO HB3 H 1.903 0.002 2 525 347 58 PRO HG2 H 1.974 0.000 2 526 347 58 PRO HG3 H 1.844 0.000 2 527 347 58 PRO HD2 H 4.082 0.005 2 528 347 58 PRO HD3 H 3.697 0.007 2 529 347 58 PRO CA C 62.374 0.000 1 530 347 58 PRO CD C 50.931 0.000 1 531 348 59 LEU H H 8.218 0.002 1 532 348 59 LEU HA H 4.016 0.002 1 533 348 59 LEU HB2 H 1.455 0.007 2 534 348 59 LEU HB3 H 1.538 0.003 2 535 348 59 LEU HG H 1.590 0.004 1 536 348 59 LEU HD1 H 0.838 0.006 2 537 348 59 LEU HD2 H 0.835 0.005 2 538 348 59 LEU CA C 57.118 0.000 1 539 348 59 LEU CB C 41.989 0.015 1 540 348 59 LEU CG C 27.095 0.022 1 541 348 59 LEU CD1 C 24.457 0.044 2 542 348 59 LEU CD2 C 24.163 0.059 2 543 348 59 LEU N N 120.075 0.025 1 544 349 60 ASN H H 7.984 0.002 1 545 349 60 ASN HA H 4.466 0.002 1 546 349 60 ASN HB2 H 2.912 0.001 2 547 349 60 ASN HB3 H 2.653 0.005 2 548 349 60 ASN HD21 H 7.512 0.003 1 549 349 60 ASN HD22 H 6.726 0.002 1 550 349 60 ASN CA C 52.783 0.000 1 551 349 60 ASN CB C 37.421 0.007 1 552 349 60 ASN N N 111.775 0.019 1 553 349 60 ASN ND2 N 112.231 0.032 1 554 350 61 MET H H 7.486 0.004 1 555 350 61 MET HA H 4.247 0.002 1 556 350 61 MET HB2 H 2.367 0.003 2 557 350 61 MET HB3 H 2.280 0.005 2 558 350 61 MET HG2 H 1.867 0.023 2 559 350 61 MET HG3 H 1.809 0.003 2 560 350 61 MET HE H 1.941 0.003 1 561 350 61 MET CA C 56.571 0.000 1 562 350 61 MET CB C 33.832 0.011 1 563 350 61 MET CG C 33.675 0.013 1 564 350 61 MET CE C 17.281 0.020 1 565 350 61 MET N N 121.656 0.024 1 566 351 62 LYS H H 9.098 0.004 1 567 351 62 LYS HA H 4.479 0.004 1 568 351 62 LYS HB2 H 1.962 0.007 2 569 351 62 LYS HB3 H 1.728 0.007 2 570 351 62 LYS HG2 H 1.455 0.005 2 571 351 62 LYS HG3 H 1.328 0.002 2 572 351 62 LYS HD2 H 1.653 0.006 2 573 351 62 LYS HD3 H 1.604 0.001 2 574 351 62 LYS HE2 H 2.953 0.006 2 575 351 62 LYS HE3 H 2.926 0.000 2 576 351 62 LYS CA C 53.508 0.000 1 577 351 62 LYS CB C 32.915 0.008 1 578 351 62 LYS CG C 24.657 0.003 1 579 351 62 LYS CD C 28.013 0.003 1 580 351 62 LYS CE C 41.795 0.004 1 581 351 62 LYS N N 124.004 0.021 1 582 352 63 GLU H H 10.288 0.011 1 583 352 63 GLU HA H 3.364 0.005 1 584 352 63 GLU HB2 H 1.657 0.009 2 585 352 63 GLU HG2 H 1.120 0.016 2 586 352 63 GLU CA C 63.272 0.000 1 587 352 63 GLU N N 122.162 0.031 1 588 353 64 TRP H H 8.438 0.006 1 589 353 64 TRP HA H 4.148 0.009 1 590 353 64 TRP HB2 H 3.236 0.005 2 591 353 64 TRP HB3 H 3.061 0.004 2 592 353 64 TRP HD1 H 7.380 0.006 1 593 353 64 TRP HE1 H 10.152 0.004 1 594 353 64 TRP HE3 H 7.537 0.003 1 595 353 64 TRP HZ2 H 7.324 0.007 1 596 353 64 TRP HZ3 H 7.135 0.005 1 597 353 64 TRP HH2 H 6.878 0.002 1 598 353 64 TRP CA C 60.045 0.000 1 599 353 64 TRP CB C 28.136 0.020 1 600 353 64 TRP CD1 C 127.027 0.000 1 601 353 64 TRP CE3 C 120.145 0.000 1 602 353 64 TRP CZ2 C 115.011 0.000 1 603 353 64 TRP CZ3 C 122.427 0.000 1 604 353 64 TRP CH2 C 125.385 0.000 1 605 353 64 TRP N N 115.088 0.022 1 606 353 64 TRP NE1 N 128.402 0.012 1 607 354 65 ASP H H 6.994 0.004 1 608 354 65 ASP HA H 4.485 0.005 1 609 354 65 ASP HB2 H 2.910 0.002 2 610 354 65 ASP HB3 H 2.729 0.004 2 611 354 65 ASP N N 118.070 0.031 1 612 355 66 LEU H H 7.675 0.004 1 613 355 66 LEU HA H 3.931 0.006 1 614 355 66 LEU HB2 H 1.590 0.007 2 615 355 66 LEU HB3 H 1.183 0.100 2 616 355 66 LEU HG H 1.320 0.003 1 617 355 66 LEU HD1 H 0.507 0.004 2 618 355 66 LEU HD2 H 0.505 0.005 2 619 355 66 LEU CA C 57.208 0.027 1 620 355 66 LEU CB C 41.359 0.016 1 621 355 66 LEU CG C 27.357 0.000 1 622 355 66 LEU CD1 C 24.948 0.000 2 623 355 66 LEU CD2 C 25.080 0.000 2 624 355 66 LEU N N 120.601 0.041 1 625 356 67 ALA H H 7.699 0.005 1 626 356 67 ALA HA H 3.692 0.003 1 627 356 67 ALA HB H 1.241 0.002 1 628 356 67 ALA CA C 55.114 0.000 1 629 356 67 ALA CB C 17.379 0.004 1 630 356 67 ALA N N 118.941 0.038 1 631 357 68 ASN H H 8.136 0.002 1 632 357 68 ASN HA H 4.518 0.004 1 633 357 68 ASN HB2 H 2.934 0.011 2 634 357 68 ASN HB3 H 2.803 0.003 2 635 357 68 ASN HD21 H 7.663 0.003 1 636 357 68 ASN HD22 H 6.860 0.006 1 637 357 68 ASN CA C 56.205 0.000 1 638 357 68 ASN CB C 38.323 0.029 1 639 357 68 ASN N N 115.741 0.028 1 640 357 68 ASN ND2 N 112.330 0.034 1 641 358 69 VAL H H 8.011 0.003 1 642 358 69 VAL HA H 4.068 0.003 1 643 358 69 VAL HB H 2.235 0.004 1 644 358 69 VAL HG1 H 0.994 0.004 2 645 358 69 VAL HG2 H 1.091 0.005 2 646 358 69 VAL CA C 64.550 0.000 1 647 358 69 VAL CB C 31.441 0.000 1 648 358 69 VAL CG1 C 21.399 0.000 2 649 358 69 VAL CG2 C 22.071 0.000 2 650 358 69 VAL N N 118.123 0.048 1 651 359 70 LEU H H 7.023 0.004 1 652 359 70 LEU HA H 4.061 0.003 1 653 359 70 LEU HB2 H 1.471 0.005 2 654 359 70 LEU HB3 H 1.079 0.006 2 655 359 70 LEU HG H 1.196 0.005 1 656 359 70 LEU HD1 H 0.190 0.003 2 657 359 70 LEU HD2 H -0.340 0.003 2 658 359 70 LEU CA C 55.248 0.000 1 659 359 70 LEU CB C 42.174 0.030 1 660 359 70 LEU CG C 27.165 0.000 1 661 359 70 LEU CD1 C 25.408 0.000 2 662 359 70 LEU CD2 C 22.081 0.039 2 663 359 70 LEU N N 115.919 0.036 1 664 360 71 LYS H H 7.147 0.001 1 665 360 71 LYS HA H 4.388 0.005 1 666 360 71 LYS HB2 H 2.095 0.006 2 667 360 71 LYS HB3 H 1.941 0.005 2 668 360 71 LYS HG2 H 1.489 0.004 2 669 360 71 LYS HD2 H 1.726 0.001 2 670 360 71 LYS HD3 H 1.745 0.016 2 671 360 71 LYS HE2 H 3.046 0.000 2 672 360 71 LYS HE3 H 2.984 0.000 2 673 360 71 LYS CA C 60.003 0.000 1 674 360 71 LYS CB C 31.172 0.008 1 675 360 71 LYS CG C 24.944 0.000 1 676 360 71 LYS CD C 28.921 0.004 1 677 360 71 LYS CE C 41.805 0.007 1 678 360 71 LYS N N 121.898 0.030 1 679 361 72 PRO HA H 4.111 0.004 1 680 361 72 PRO HB2 H 1.912 0.005 2 681 361 72 PRO HB3 H 0.489 0.005 2 682 361 72 PRO HG2 H 1.909 0.003 2 683 361 72 PRO HG3 H 1.748 0.008 2 684 361 72 PRO HD2 H 3.325 0.003 2 685 361 72 PRO HD3 H 3.622 0.003 2 686 361 72 PRO CA C 64.740 0.000 1 687 361 72 PRO CB C 30.214 0.019 1 688 361 72 PRO CD C 50.200 0.009 1 689 362 73 PHE H H 8.430 0.005 1 690 362 73 PHE HA H 4.299 0.002 1 691 362 73 PHE HB2 H 2.880 0.003 2 692 362 73 PHE HB3 H 2.714 0.005 2 693 362 73 PHE HD1 H 7.105 0.003 3 694 362 73 PHE HD2 H 7.105 0.003 3 695 362 73 PHE HE1 H 7.502 0.004 3 696 362 73 PHE HE2 H 7.502 0.004 3 697 362 73 PHE HZ H 7.484 0.002 1 698 362 73 PHE N N 112.611 0.032 1 699 363 74 ALA H H 8.290 0.003 1 700 363 74 ALA HA H 4.413 0.005 1 701 363 74 ALA HB H 1.082 0.003 1 702 363 74 ALA CA C 51.889 0.000 1 703 363 74 ALA CB C 24.665 0.048 1 704 363 74 ALA N N 119.374 0.036 1 705 364 75 GLU H H 8.166 0.004 1 706 364 75 GLU HA H 4.318 0.007 1 707 364 75 GLU HB2 H 2.096 0.002 2 708 364 75 GLU HB3 H 1.943 0.002 2 709 364 75 GLU HG2 H 2.180 0.005 2 710 364 75 GLU CA C 55.206 0.000 1 711 364 75 GLU N N 119.463 0.045 1 712 365 76 VAL H H 7.686 0.004 1 713 365 76 VAL HA H 3.485 0.005 1 714 365 76 VAL HB H 1.580 0.006 1 715 365 76 VAL HG1 H 0.476 0.006 2 716 365 76 VAL HG2 H 0.635 0.003 2 717 365 76 VAL CA C 63.150 0.000 1 718 365 76 VAL CB C 32.693 0.000 1 719 365 76 VAL CG1 C 23.047 0.000 2 720 365 76 VAL CG2 C 24.299 0.004 2 721 365 76 VAL N N 125.252 0.034 1 722 366 77 GLN H H 8.550 0.003 1 723 366 77 GLN HA H 3.894 0.005 1 724 366 77 GLN HB2 H 0.757 0.007 2 725 366 77 GLN HB3 H -0.995 0.005 2 726 366 77 GLN HG2 H 2.687 0.002 2 727 366 77 GLN HG3 H 2.604 0.002 2 728 366 77 GLN HE21 H 7.955 0.002 1 729 366 77 GLN HE22 H 6.865 0.001 1 730 366 77 GLN CA C 55.989 0.000 1 731 366 77 GLN CB C 29.271 0.000 1 732 366 77 GLN N N 127.593 0.033 1 733 366 77 GLN NE2 N 116.479 0.029 1 734 367 78 SER H H 7.577 0.005 1 735 367 78 SER HA H 4.644 0.002 1 736 367 78 SER HB2 H 3.133 0.004 2 737 367 78 SER HB3 H 2.822 0.022 2 738 367 78 SER CB C 65.401 0.015 1 739 367 78 SER N N 112.991 0.073 1 740 368 79 VAL H H 7.700 0.005 1 741 368 79 VAL HA H 4.482 0.006 1 742 368 79 VAL HB H 1.556 0.004 1 743 368 79 VAL HG1 H 0.598 0.004 2 744 368 79 VAL HG2 H 0.603 0.010 2 745 368 79 VAL CA C 61.220 0.000 1 746 368 79 VAL CB C 36.201 0.000 1 747 368 79 VAL CG1 C 21.522 0.000 2 748 368 79 VAL CG2 C 22.392 0.000 2 749 368 79 VAL N N 119.905 0.009 1 750 369 80 ILE H H 8.746 0.004 1 751 369 80 ILE HA H 4.032 0.004 1 752 369 80 ILE HB H 1.738 0.004 1 753 369 80 ILE HG12 H 1.325 0.005 2 754 369 80 ILE HG13 H 0.197 0.005 2 755 369 80 ILE HG2 H 0.644 0.004 1 756 369 80 ILE HD1 H 0.515 0.007 1 757 369 80 ILE CA C 60.690 0.000 1 758 369 80 ILE CB C 39.536 0.107 1 759 369 80 ILE CG1 C 26.592 0.014 1 760 369 80 ILE CG2 C 17.081 0.000 1 761 369 80 ILE CD1 C 13.457 0.000 1 762 369 80 ILE N N 127.207 0.045 1 763 370 81 LEU H H 9.077 0.006 1 764 370 81 LEU HA H 4.477 0.006 1 765 370 81 LEU HB2 H 1.664 0.005 2 766 370 81 LEU HB3 H 1.115 0.009 2 767 370 81 LEU HG H 1.263 0.009 1 768 370 81 LEU HD1 H 0.609 0.005 2 769 370 81 LEU HD2 H 0.660 0.006 2 770 370 81 LEU CA C 54.115 0.000 1 771 370 81 LEU CB C 44.450 0.055 1 772 370 81 LEU CG C 27.417 0.000 1 773 370 81 LEU CD1 C 24.089 0.033 2 774 370 81 LEU CD2 C 25.330 0.009 2 775 370 81 LEU N N 129.790 0.025 1 776 371 82 ASN H H 8.648 0.004 1 777 371 82 ASN HA H 4.801 0.005 1 778 371 82 ASN HB2 H 2.479 0.005 2 779 371 82 ASN HB3 H 2.376 0.008 2 780 371 82 ASN CA C 51.439 0.000 1 781 371 82 ASN CB C 38.393 0.000 1 782 371 82 ASN N N 123.445 0.026 1 783 372 83 ASN H H 8.830 0.003 1 784 372 83 ASN HA H 4.297 0.003 1 785 372 83 ASN HB2 H 2.615 0.003 2 786 372 83 ASN HB3 H 2.687 0.005 2 787 372 83 ASN HD21 H 7.690 0.002 1 788 372 83 ASN HD22 H 6.994 0.003 1 789 372 83 ASN N N 122.174 0.000 1 790 372 83 ASN ND2 N 111.670 0.028 1 791 373 84 SER HA H 4.160 0.000 1 792 373 84 SER HB3 H 3.878 0.002 2 793 373 84 SER CB C 62.440 0.000 1 794 374 85 ARG H H 7.109 0.003 1 795 374 85 ARG HA H 4.180 0.006 1 796 374 85 ARG HB2 H 0.665 0.008 2 797 374 85 ARG HB3 H 1.710 0.002 2 798 374 85 ARG HG2 H 1.494 0.004 2 799 374 85 ARG HG3 H 1.375 0.004 2 800 374 85 ARG HD2 H 3.081 0.002 2 801 374 85 ARG HD3 H 3.044 0.001 2 802 374 85 ARG CA C 54.704 0.000 1 803 374 85 ARG N N 117.694 0.030 1 804 375 86 LYS H H 7.702 0.003 1 805 375 86 LYS HA H 3.857 0.004 1 806 375 86 LYS HB2 H 1.554 0.001 2 807 375 86 LYS HB3 H 1.940 0.012 2 808 375 86 LYS HG2 H 1.266 0.005 2 809 375 86 LYS HG3 H 1.217 0.003 2 810 375 86 LYS HD2 H 1.957 0.001 2 811 375 86 LYS N N 116.016 0.034 1 812 376 87 HIS H H 7.574 0.003 1 813 376 87 HIS HA H 5.421 0.003 1 814 376 87 HIS HB2 H 2.777 0.005 2 815 376 87 HIS HB3 H 2.541 0.006 2 816 376 87 HIS HD2 H 6.405 0.008 1 817 376 87 HIS CA C 53.212 0.000 1 818 376 87 HIS CB C 34.449 0.008 1 819 376 87 HIS CD2 C 121.552 0.000 1 820 376 87 HIS N N 113.397 0.069 1 821 377 88 ALA H H 8.808 0.003 1 822 377 88 ALA HA H 5.111 0.005 1 823 377 88 ALA HB H 0.831 0.005 1 824 377 88 ALA CA C 49.791 0.000 1 825 377 88 ALA CB C 23.898 0.050 1 826 377 88 ALA N N 120.134 0.038 1 827 378 89 PHE H H 8.667 0.006 1 828 378 89 PHE HA H 5.303 0.005 1 829 378 89 PHE HB2 H 2.712 0.006 2 830 378 89 PHE HB3 H 2.806 0.005 2 831 378 89 PHE HD1 H 7.057 0.003 3 832 378 89 PHE HD2 H 7.057 0.003 3 833 378 89 PHE HE1 H 7.299 0.004 3 834 378 89 PHE HE2 H 7.299 0.004 3 835 378 89 PHE HZ H 7.143 0.002 1 836 378 89 PHE CE1 C 131.834 0.000 3 837 378 89 PHE CE2 C 131.834 0.000 3 838 378 89 PHE N N 118.041 0.064 1 839 379 90 VAL H H 9.411 0.005 1 840 379 90 VAL HA H 4.562 0.007 1 841 379 90 VAL HB H 1.679 0.005 1 842 379 90 VAL HG1 H 0.595 0.004 2 843 379 90 VAL HG2 H 0.599 0.002 2 844 379 90 VAL CA C 60.569 0.000 1 845 379 90 VAL CB C 34.854 0.000 1 846 379 90 VAL CG1 C 21.994 0.000 2 847 379 90 VAL CG2 C 21.985 0.000 2 848 379 90 VAL N N 125.581 0.096 1 849 380 91 LYS H H 8.313 0.007 1 850 380 91 LYS HA H 5.297 0.005 1 851 380 91 LYS HB2 H 1.514 0.008 2 852 380 91 LYS HB3 H 1.272 0.006 2 853 380 91 LYS HG2 H 1.206 0.003 2 854 380 91 LYS CA C 54.338 0.000 1 855 380 91 LYS N N 128.961 0.064 1 856 381 92 VAL H H 8.293 0.002 1 857 381 92 VAL HA H 4.683 0.007 1 858 381 92 VAL HB H 2.155 0.004 1 859 381 92 VAL HG1 H 0.493 0.004 2 860 381 92 VAL HG2 H 0.849 0.004 2 861 381 92 VAL CA C 58.502 0.000 1 862 381 92 VAL CB C 33.192 0.000 1 863 381 92 VAL CG1 C 21.864 0.060 2 864 381 92 VAL CG2 C 19.062 0.029 2 865 381 92 VAL N N 117.819 0.042 1 866 382 93 TYR H H 6.874 0.003 1 867 382 93 TYR HA H 3.446 0.004 1 868 382 93 TYR HB2 H 3.090 0.002 2 869 382 93 TYR HB3 H 2.630 0.006 2 870 382 93 TYR CA C 64.102 0.000 1 871 382 93 TYR N N 113.928 0.039 1 872 383 94 SER H H 7.142 0.004 1 873 383 94 SER HA H 4.946 0.005 1 874 383 94 SER HB2 H 4.540 0.007 2 875 383 94 SER HB3 H 3.927 0.005 2 876 383 94 SER CA C 57.260 0.000 1 877 383 94 SER CB C 67.737 0.021 1 878 383 94 SER N N 106.676 0.038 1 879 384 95 ARG H H 9.128 0.012 1 880 384 95 ARG HA H 4.184 0.007 1 881 384 95 ARG HB2 H 2.008 0.005 2 882 384 95 ARG HB3 H 1.471 0.009 2 883 384 95 ARG HG2 H 1.245 0.003 2 884 384 95 ARG HG3 H 1.083 0.002 2 885 384 95 ARG HD2 H 3.565 0.010 2 886 384 95 ARG HD3 H 3.037 0.008 2 887 384 95 ARG HE H 8.567 0.015 1 888 384 95 ARG HH11 H 7.065 0.005 1 889 384 95 ARG HH12 H 6.367 0.005 1 890 384 95 ARG HH22 H 6.688 0.002 1 891 384 95 ARG CD C 43.143 0.007 1 892 384 95 ARG N N 124.436 0.028 1 893 384 95 ARG NE N 87.001 0.016 1 894 385 96 HIS H H 9.248 0.018 1 895 385 96 HIS HA H 4.322 0.008 1 896 385 96 HIS HB2 H 3.232 0.008 2 897 385 96 HIS HB3 H 3.123 0.009 2 898 385 96 HIS HD2 H 7.131 0.015 1 899 385 96 HIS HE1 H 8.051 0.021 1 900 385 96 HIS CA C 59.742 0.052 1 901 385 96 HIS CB C 28.838 0.000 1 902 385 96 HIS CD2 C 120.364 0.000 1 903 385 96 HIS CE1 C 137.886 0.000 1 904 385 96 HIS N N 118.776 0.053 1 905 386 97 GLU H H 7.721 0.003 1 906 386 97 GLU HA H 4.006 0.006 1 907 386 97 GLU HB2 H 2.272 0.007 2 908 386 97 GLU HB3 H 2.184 0.036 2 909 386 97 GLU HG3 H 2.520 0.004 2 910 386 97 GLU CA C 59.417 0.000 1 911 386 97 GLU CB C 30.904 0.007 1 912 386 97 GLU N N 117.922 0.012 1 913 387 98 ALA H H 7.653 0.004 1 914 387 98 ALA HA H 3.679 0.005 1 915 387 98 ALA HB H 1.621 0.005 1 916 387 98 ALA CA C 55.729 0.000 1 917 387 98 ALA CB C 17.751 0.033 1 918 387 98 ALA N N 123.236 0.025 1 919 388 99 GLU H H 8.359 0.005 1 920 388 99 GLU HA H 3.800 0.003 1 921 388 99 GLU HB2 H 2.168 0.011 2 922 388 99 GLU HB3 H 2.087 0.000 2 923 388 99 GLU HG2 H 2.664 0.004 2 924 388 99 GLU HG3 H 2.542 0.004 2 925 388 99 GLU N N 115.835 0.039 1 926 389 100 ASN H H 7.869 0.006 1 927 389 100 ASN HA H 4.428 0.004 1 928 389 100 ASN HB2 H 3.167 0.004 2 929 389 100 ASN HB3 H 2.841 0.006 2 930 389 100 ASN HD21 H 8.546 0.007 1 931 389 100 ASN HD22 H 7.478 0.004 1 932 389 100 ASN N N 117.831 0.025 1 933 389 100 ASN ND2 N 115.790 0.056 1 934 390 101 VAL H H 7.755 0.006 1 935 390 101 VAL HA H 3.144 0.005 1 936 390 101 VAL HB H 2.064 0.004 1 937 390 101 VAL HG1 H 0.437 0.004 2 938 390 101 VAL HG2 H 0.802 0.004 2 939 390 101 VAL CA C 65.923 0.000 1 940 390 101 VAL CB C 31.446 0.000 1 941 390 101 VAL CG1 C 22.289 0.013 2 942 390 101 VAL CG2 C 24.248 0.000 2 943 390 101 VAL N N 117.927 0.026 1 944 391 102 LEU H H 7.499 0.004 1 945 391 102 LEU HA H 3.533 0.002 1 946 391 102 LEU HB2 H 1.222 0.004 2 947 391 102 LEU HG H 0.935 0.003 1 948 391 102 LEU HD1 H -0.424 0.003 2 949 391 102 LEU HD2 H 0.131 0.003 2 950 391 102 LEU CA C 57.777 0.000 1 951 391 102 LEU CB C 41.083 0.000 1 952 391 102 LEU CG C 26.476 0.000 1 953 391 102 LEU CD1 C 23.923 0.000 2 954 391 102 LEU CD2 C 23.291 0.000 2 955 391 102 LEU N N 119.014 0.029 1 956 392 103 GLN H H 7.954 0.003 1 957 392 103 GLN HA H 4.028 0.003 1 958 392 103 GLN HB2 H 1.995 0.005 2 959 392 103 GLN HB3 H 1.922 0.003 2 960 392 103 GLN HG2 H 2.369 0.002 2 961 392 103 GLN HG3 H 2.336 0.005 2 962 392 103 GLN HE21 H 7.393 0.001 1 963 392 103 GLN HE22 H 6.808 0.002 1 964 392 103 GLN CA C 57.714 0.025 1 965 392 103 GLN CB C 29.831 0.008 1 966 392 103 GLN CG C 33.714 0.030 1 967 392 103 GLN N N 113.379 0.025 1 968 392 103 GLN NE2 N 111.359 0.034 1 969 393 104 ASN H H 7.600 0.003 1 970 393 104 ASN HA H 4.925 0.002 1 971 393 104 ASN HB2 H 2.746 0.006 2 972 393 104 ASN HB3 H 2.589 0.009 2 973 393 104 ASN HD21 H 7.601 0.004 1 974 393 104 ASN HD22 H 7.228 0.002 1 975 393 104 ASN CA C 54.195 0.000 1 976 393 104 ASN CB C 42.448 0.014 1 977 393 104 ASN N N 111.514 0.021 1 978 393 104 ASN ND2 N 117.454 0.040 1 979 394 105 PHE H H 8.232 0.004 1 980 394 105 PHE HA H 3.410 0.002 1 981 394 105 PHE HB2 H 2.908 0.006 2 982 394 105 PHE HB3 H 1.984 0.008 2 983 394 105 PHE HD1 H 6.945 0.004 3 984 394 105 PHE HD2 H 6.945 0.004 3 985 394 105 PHE HE1 H 6.926 0.003 3 986 394 105 PHE HE2 H 6.926 0.003 3 987 394 105 PHE HZ H 6.777 0.003 1 988 394 105 PHE CA C 57.308 0.000 1 989 394 105 PHE CB C 39.250 0.003 1 990 394 105 PHE N N 121.218 0.025 1 991 395 106 ASN H H 8.470 0.005 1 992 395 106 ASN HA H 4.043 0.004 1 993 395 106 ASN HB2 H 2.356 0.003 2 994 395 106 ASN HB3 H 0.068 0.003 2 995 395 106 ASN HD21 H 6.798 0.003 1 996 395 106 ASN HD22 H 7.033 0.003 1 997 395 106 ASN CA C 52.401 0.000 1 998 395 106 ASN CB C 36.732 0.000 1 999 395 106 ASN N N 126.304 0.017 1 1000 395 106 ASN ND2 N 111.937 0.013 1 1001 396 107 LYS H H 7.723 0.004 1 1002 396 107 LYS HA H 3.820 0.005 1 1003 396 107 LYS HB2 H 1.702 0.001 2 1004 396 107 LYS HB3 H 1.672 0.005 2 1005 396 107 LYS HG2 H 1.393 0.004 2 1006 396 107 LYS HG3 H 1.191 0.010 2 1007 396 107 LYS HD2 H 1.607 0.001 2 1008 396 107 LYS HE2 H 2.932 0.000 2 1009 396 107 LYS CA C 57.588 0.031 1 1010 396 107 LYS CB C 31.047 0.007 1 1011 396 107 LYS CG C 23.724 0.032 1 1012 396 107 LYS CD C 27.819 0.000 1 1013 396 107 LYS CE C 41.457 0.000 1 1014 396 107 LYS N N 119.301 0.021 1 1015 397 108 ASP H H 8.069 0.002 1 1016 397 108 ASP HA H 4.345 0.002 1 1017 397 108 ASP HB2 H 2.814 0.003 2 1018 397 108 ASP HB3 H 2.526 0.002 2 1019 397 108 ASP CA C 52.754 0.000 1 1020 397 108 ASP N N 115.038 0.020 1 1021 398 109 GLY H H 7.432 0.003 1 1022 398 109 GLY HA2 H 3.478 0.003 2 1023 398 109 GLY HA3 H 3.739 0.005 2 1024 398 109 GLY CA C 46.060 0.000 1 1025 398 109 GLY N N 107.861 0.016 1 1026 399 110 ALA H H 7.562 0.003 1 1027 399 110 ALA HA H 3.881 0.008 1 1028 399 110 ALA HB H 1.312 0.005 1 1029 399 110 ALA CA C 54.429 0.000 1 1030 399 110 ALA CB C 18.715 0.005 1 1031 399 110 ALA N N 121.665 0.020 1 1032 400 111 LEU H H 8.481 0.002 1 1033 400 111 LEU HA H 4.752 0.004 1 1034 400 111 LEU HB2 H 1.358 0.008 2 1035 400 111 LEU HB3 H 1.117 0.002 2 1036 400 111 LEU HG H 1.539 0.002 1 1037 400 111 LEU HD1 H 0.813 0.003 2 1038 400 111 LEU HD2 H 0.860 0.003 2 1039 400 111 LEU CA C 51.136 0.000 1 1040 400 111 LEU CB C 42.686 0.023 1 1041 400 111 LEU CG C 27.005 0.000 1 1042 400 111 LEU CD1 C 26.098 0.039 2 1043 400 111 LEU CD2 C 22.322 0.000 2 1044 400 111 LEU N N 115.181 0.030 1 1045 401 112 PRO HA H 4.432 0.004 1 1046 401 112 PRO HB2 H 2.236 0.003 2 1047 401 112 PRO HB3 H 2.087 0.000 2 1048 401 112 PRO HG2 H 2.080 0.003 2 1049 401 112 PRO HG3 H 1.807 0.008 2 1050 401 112 PRO HD2 H 3.710 0.007 2 1051 401 112 PRO HD3 H 3.490 0.005 2 1052 401 112 PRO CG C 26.739 0.002 1 1053 401 112 PRO CD C 50.039 0.001 1 1054 402 113 LEU H H 5.721 0.003 1 1055 402 113 LEU HA H 4.651 0.002 1 1056 402 113 LEU HB2 H 1.275 0.004 2 1057 402 113 LEU HG H 1.443 0.004 1 1058 402 113 LEU HD1 H 0.852 0.004 2 1059 402 113 LEU HD2 H 0.698 0.004 2 1060 402 113 LEU CA C 54.174 0.000 1 1061 402 113 LEU CB C 42.619 0.000 1 1062 402 113 LEU CG C 27.928 0.000 1 1063 402 113 LEU CD1 C 25.745 0.003 2 1064 402 113 LEU CD2 C 23.953 0.033 2 1065 402 113 LEU N N 115.354 0.030 1 1066 403 114 ARG H H 8.274 0.003 1 1067 403 114 ARG HA H 4.655 0.004 1 1068 403 114 ARG HB2 H 1.642 0.002 2 1069 403 114 ARG HB3 H 1.520 0.004 2 1070 403 114 ARG HG2 H 1.453 0.005 2 1071 403 114 ARG HG3 H 1.516 0.003 2 1072 403 114 ARG HD2 H 3.184 0.004 2 1073 403 114 ARG HD3 H 3.009 0.006 2 1074 403 114 ARG CA C 53.777 0.000 1 1075 403 114 ARG CB C 32.135 0.004 1 1076 403 114 ARG CG C 26.241 0.002 1 1077 403 114 ARG CD C 42.781 0.014 1 1078 403 114 ARG N N 122.806 0.023 1 1079 404 115 THR H H 8.337 0.004 1 1080 404 115 THR HA H 5.022 0.008 1 1081 404 115 THR HB H 3.697 0.003 1 1082 404 115 THR HG2 H 0.865 0.005 1 1083 404 115 THR CA C 61.561 0.000 1 1084 404 115 THR CB C 69.641 0.000 1 1085 404 115 THR CG2 C 21.453 0.023 1 1086 404 115 THR N N 118.695 0.079 1 1087 405 116 ARG H H 8.961 0.007 1 1088 405 116 ARG HA H 4.449 0.002 1 1089 405 116 ARG HB2 H 1.884 0.004 2 1090 405 116 ARG HB3 H 2.024 0.004 2 1091 405 116 ARG HG2 H 1.634 0.004 2 1092 405 116 ARG HG3 H 1.541 0.004 2 1093 405 116 ARG HD2 H 3.024 0.002 2 1094 405 116 ARG CD C 43.332 0.000 1 1095 405 116 ARG N N 122.584 0.073 1 1096 406 117 TRP H H 8.437 0.006 1 1097 406 117 TRP HA H 4.735 0.007 1 1098 406 117 TRP HB2 H 3.411 0.004 2 1099 406 117 TRP HB3 H 3.287 0.003 2 1100 406 117 TRP HD1 H 7.018 0.002 1 1101 406 117 TRP HE1 H 9.854 0.003 1 1102 406 117 TRP HE3 H 7.761 0.005 1 1103 406 117 TRP HZ2 H 7.275 0.003 1 1104 406 117 TRP HZ3 H 6.691 0.006 1 1105 406 117 TRP HH2 H 6.778 0.007 1 1106 406 117 TRP CD1 C 127.352 0.000 1 1107 406 117 TRP CE3 C 120.131 0.000 1 1108 406 117 TRP CZ2 C 114.532 0.000 1 1109 406 117 TRP CZ3 C 122.410 0.000 1 1110 406 117 TRP CH2 C 123.693 0.000 1 1111 406 117 TRP N N 119.907 0.021 1 1112 406 117 TRP NE1 N 128.344 0.028 1 1113 407 118 GLY H H 8.799 0.003 1 1114 407 118 GLY HA2 H 3.207 0.007 2 1115 407 118 GLY HA3 H 4.735 0.006 2 1116 407 118 GLY N N 108.305 0.052 1 1117 408 119 VAL H H 7.896 0.027 1 1118 408 119 VAL HA H 4.373 0.004 1 1119 408 119 VAL HB H 1.996 0.005 1 1120 408 119 VAL HG1 H 0.777 0.004 2 1121 408 119 VAL HG2 H 0.706 0.004 2 1122 408 119 VAL CA C 60.975 0.000 1 1123 408 119 VAL CB C 33.812 0.000 1 1124 408 119 VAL CG1 C 22.853 0.022 2 1125 408 119 VAL CG2 C 20.485 0.066 2 1126 408 119 VAL N N 117.968 0.044 1 1127 409 120 GLY H H 9.044 0.003 1 1128 409 120 GLY HA2 H 4.207 0.007 2 1129 409 120 GLY HA3 H 3.967 0.004 2 1130 409 120 GLY CA C 44.934 0.017 1 1131 409 120 GLY N N 114.827 0.033 1 1132 410 121 PHE H H 7.430 0.004 1 1133 410 121 PHE HA H 4.610 0.003 1 1134 410 121 PHE HB2 H 3.019 0.003 2 1135 410 121 PHE HB3 H 2.630 0.006 2 1136 410 121 PHE HD1 H 7.008 0.002 3 1137 410 121 PHE HD2 H 7.008 0.002 3 1138 410 121 PHE HE1 H 7.229 0.003 3 1139 410 121 PHE HE2 H 7.229 0.003 3 1140 410 121 PHE HZ H 7.090 0.002 1 1141 410 121 PHE N N 121.666 0.013 1 1142 411 122 GLY H H 8.377 0.004 1 1143 411 122 GLY HA2 H 3.184 0.004 2 1144 411 122 GLY HA3 H 3.340 0.002 2 1145 411 122 GLY CA C 43.147 0.008 1 1146 411 122 GLY N N 114.222 0.025 1 1147 412 123 PRO HA H 4.351 0.003 1 1148 412 123 PRO HB2 H 2.340 0.003 2 1149 412 123 PRO HD2 H 3.409 0.007 2 1150 412 123 PRO HD3 H 2.962 0.006 2 1151 412 123 PRO CB C 31.981 0.000 1 1152 412 123 PRO CD C 49.034 0.013 1 1153 413 124 ARG H H 9.226 0.004 1 1154 413 124 ARG HA H 3.760 0.004 1 1155 413 124 ARG HB2 H 1.813 0.003 2 1156 413 124 ARG HB3 H 1.928 0.005 2 1157 413 124 ARG HG2 H 1.722 0.005 2 1158 413 124 ARG HG3 H 1.608 0.002 2 1159 413 124 ARG HD2 H 3.105 0.004 2 1160 413 124 ARG CA C 59.555 0.000 1 1161 413 124 ARG CB C 29.257 0.010 1 1162 413 124 ARG CG C 27.864 0.010 1 1163 413 124 ARG CD C 42.987 0.000 1 1164 413 124 ARG N N 127.651 0.034 1 1165 414 125 ASP H H 8.477 0.003 1 1166 414 125 ASP HA H 4.539 0.001 1 1167 414 125 ASP HB2 H 2.873 0.005 2 1168 414 125 ASP HB3 H 2.557 0.004 2 1169 414 125 ASP CA C 54.670 0.000 1 1170 414 125 ASP CB C 39.353 0.000 1 1171 414 125 ASP N N 114.179 0.039 1 1172 415 126 CYS H H 7.011 0.002 1 1173 415 126 CYS HA H 4.527 0.002 1 1174 415 126 CYS HB2 H 3.290 0.004 2 1175 415 126 CYS HB3 H 2.405 0.004 2 1176 415 126 CYS CA C 59.544 0.000 1 1177 415 126 CYS CB C 28.702 0.000 1 1178 415 126 CYS N N 114.986 0.021 1 1179 416 127 CYS H H 7.137 0.010 1 1180 416 127 CYS HB2 H 2.168 0.000 2 1181 416 127 CYS HG H 0.331 0.003 1 1182 416 127 CYS CA C 58.218 0.000 1 1183 416 127 CYS CB C 29.004 0.000 1 1184 416 127 CYS N N 119.914 0.025 1 1185 417 128 ASP H H 8.725 0.010 1 1186 417 128 ASP HA H 4.658 0.003 1 1187 417 128 ASP HB2 H 2.304 0.014 2 1188 417 128 ASP HB3 H 2.383 0.007 2 1189 417 128 ASP N N 128.953 0.039 1 1190 418 129 TYR H H 8.588 0.002 1 1191 418 129 TYR HA H 3.801 0.002 1 1192 418 129 TYR HB2 H 3.192 0.004 2 1193 418 129 TYR HB3 H 2.723 0.006 2 1194 418 129 TYR HD1 H 7.103 0.004 3 1195 418 129 TYR HD2 H 7.103 0.004 3 1196 418 129 TYR HE1 H 6.740 0.004 3 1197 418 129 TYR HE2 H 6.740 0.004 3 1198 418 129 TYR CA C 61.289 0.000 1 1199 418 129 TYR CB C 37.990 0.007 1 1200 418 129 TYR CD1 C 133.304 0.000 3 1201 418 129 TYR CD2 C 133.304 0.000 3 1202 418 129 TYR CE1 C 118.532 0.000 3 1203 418 129 TYR CE2 C 118.532 0.000 3 1204 418 129 TYR N N 124.254 0.024 1 1205 419 130 GLN H H 8.182 0.012 1 1206 419 130 GLN HA H 4.162 0.003 1 1207 419 130 GLN HB2 H 1.632 0.009 2 1208 419 130 GLN HB3 H 1.855 0.003 2 1209 419 130 GLN HG2 H 2.084 0.013 2 1210 419 130 GLN HG3 H 1.899 0.015 2 1211 419 130 GLN HE21 H 7.466 0.001 1 1212 419 130 GLN HE22 H 6.790 0.001 1 1213 419 130 GLN CA C 57.855 0.048 1 1214 419 130 GLN CB C 28.014 0.019 1 1215 419 130 GLN CG C 33.540 0.029 1 1216 419 130 GLN N N 118.131 0.086 1 1217 419 130 GLN NE2 N 111.991 0.045 1 1218 420 131 HIS H H 7.281 0.008 1 1219 420 131 HIS HA H 4.606 0.003 1 1220 420 131 HIS HB2 H 3.075 0.010 2 1221 420 131 HIS HB3 H 1.667 0.009 2 1222 420 131 HIS HD2 H 7.234 0.016 1 1223 420 131 HIS HE1 H 8.099 0.038 1 1224 420 131 HIS CD2 C 120.598 0.000 1 1225 420 131 HIS CE1 C 136.970 0.000 1 1226 420 131 HIS N N 113.200 0.107 1 1227 421 132 GLY H H 7.879 0.005 1 1228 421 132 GLY HA2 H 2.758 0.012 2 1229 421 132 GLY HA3 H 1.717 0.004 2 1230 421 132 GLY CA C 45.241 0.018 1 1231 421 132 GLY N N 109.636 0.012 1 1232 422 133 TYR H H 7.027 0.005 1 1233 422 133 TYR HA H 5.173 0.004 1 1234 422 133 TYR HB2 H 2.417 0.006 2 1235 422 133 TYR HB3 H 2.314 0.006 2 1236 422 133 TYR HD1 H 6.545 0.003 3 1237 422 133 TYR HD2 H 7.030 0.002 3 1238 422 133 TYR HE1 H 6.592 0.004 3 1239 422 133 TYR HE2 H 6.888 0.000 3 1240 422 133 TYR CA C 54.087 0.000 1 1241 422 133 TYR CB C 40.648 0.006 1 1242 422 133 TYR CD1 C 132.989 0.000 3 1243 422 133 TYR CE1 C 118.463 0.000 3 1244 422 133 TYR CE2 C 117.799 0.000 3 1245 422 133 TYR N N 113.722 0.011 1 1246 423 134 SER H H 8.697 0.005 1 1247 423 134 SER HA H 5.326 0.006 1 1248 423 134 SER HB2 H 3.411 0.004 2 1249 423 134 SER HB3 H 3.315 0.004 2 1250 423 134 SER HG H 6.432 0.005 1 1251 423 134 SER CA C 56.123 0.000 1 1252 423 134 SER CB C 65.094 0.000 1 1253 423 134 SER N N 115.888 0.046 1 1254 424 135 ILE H H 7.736 0.003 1 1255 424 135 ILE HA H 5.008 0.005 1 1256 424 135 ILE HB H 1.933 0.004 1 1257 424 135 ILE HG12 H 1.551 0.001 2 1258 424 135 ILE HG13 H 0.868 0.002 2 1259 424 135 ILE HG2 H 0.831 0.004 1 1260 424 135 ILE HD1 H 0.726 0.003 1 1261 424 135 ILE CA C 60.256 0.000 1 1262 424 135 ILE CB C 37.107 0.000 1 1263 424 135 ILE CG1 C 27.206 0.000 1 1264 424 135 ILE CG2 C 17.376 0.070 1 1265 424 135 ILE CD1 C 12.407 0.000 1 1266 424 135 ILE N N 126.388 0.038 1 1267 425 136 ILE H H 8.705 0.005 1 1268 425 136 ILE HA H 4.711 0.002 1 1269 425 136 ILE HB H 1.377 0.004 1 1270 425 136 ILE HG12 H 1.264 0.002 2 1271 425 136 ILE HG13 H 0.523 0.000 2 1272 425 136 ILE HG2 H 0.669 0.004 1 1273 425 136 ILE HD1 H 0.744 0.003 1 1274 425 136 ILE CA C 57.724 0.000 1 1275 425 136 ILE CB C 42.865 0.000 1 1276 425 136 ILE CG2 C 16.175 0.000 1 1277 425 136 ILE CD1 C 14.403 0.000 1 1278 425 136 ILE N N 127.060 0.026 1 1279 426 137 PRO HA H 3.806 0.006 1 1280 426 137 PRO HB2 H 1.210 0.007 2 1281 426 137 PRO HB3 H 1.560 0.015 2 1282 426 137 PRO HG2 H 1.610 0.004 2 1283 426 137 PRO HG3 H 1.960 0.005 2 1284 426 137 PRO HD2 H 3.908 0.003 2 1285 426 137 PRO HD3 H 3.394 0.005 2 1286 426 137 PRO CA C 61.155 0.000 1 1287 426 137 PRO CB C 31.130 0.000 1 1288 426 137 PRO CD C 51.745 0.003 1 1289 427 138 MET H H 8.940 0.009 1 1290 427 138 MET HA H 3.655 0.005 1 1291 427 138 MET HB2 H 2.061 0.007 2 1292 427 138 MET HB3 H 1.976 0.037 2 1293 427 138 MET HG2 H 2.445 0.004 2 1294 427 138 MET HG3 H 2.205 0.003 2 1295 427 138 MET HE H 1.793 0.003 1 1296 427 138 MET CA C 59.263 0.005 1 1297 427 138 MET CB C 32.780 0.008 1 1298 427 138 MET CG C 33.756 0.036 1 1299 427 138 MET CE C 16.444 0.019 1 1300 427 138 MET N N 124.104 0.018 1 1301 428 139 HIS H H 7.999 0.015 1 1302 428 139 HIS HA H 4.434 0.002 1 1303 428 139 HIS HB2 H 3.224 0.004 2 1304 428 139 HIS HB3 H 2.947 0.005 2 1305 428 139 HIS HD2 H 6.941 0.004 1 1306 428 139 HIS HE1 H 7.671 0.011 1 1307 428 139 HIS CA C 57.769 0.000 1 1308 428 139 HIS CB C 29.020 0.017 1 1309 428 139 HIS CD2 C 119.852 0.000 1 1310 428 139 HIS CE1 C 138.701 0.000 1 1311 428 139 HIS N N 113.474 0.025 1 1312 429 140 ARG H H 7.387 0.006 1 1313 429 140 ARG HA H 4.143 0.003 1 1314 429 140 ARG HB2 H 1.971 0.005 2 1315 429 140 ARG HB3 H 1.248 0.004 2 1316 429 140 ARG HG2 H 1.228 0.010 2 1317 429 140 ARG HG3 H 1.068 0.004 2 1318 429 140 ARG HD2 H 3.130 0.002 2 1319 429 140 ARG HD3 H 2.729 0.001 2 1320 429 140 ARG CA C 55.186 0.000 1 1321 429 140 ARG CD C 41.878 0.007 1 1322 429 140 ARG N N 116.871 0.039 1 1323 430 141 LEU H H 7.163 0.002 1 1324 430 141 LEU HA H 4.518 0.001 1 1325 430 141 LEU HB2 H 1.859 0.005 2 1326 430 141 LEU HB3 H 1.386 0.004 2 1327 430 141 LEU HG H 1.580 0.006 1 1328 430 141 LEU HD1 H 0.840 0.003 2 1329 430 141 LEU HD2 H 0.690 0.002 2 1330 430 141 LEU CB C 42.807 0.000 1 1331 430 141 LEU CD1 C 26.597 0.000 2 1332 430 141 LEU CD2 C 23.149 0.000 2 1333 430 141 LEU N N 119.025 0.030 1 1334 431 142 THR H H 9.509 0.005 1 1335 431 142 THR HA H 4.345 0.002 1 1336 431 142 THR HB H 4.624 0.006 1 1337 431 142 THR HG2 H 1.251 0.003 1 1338 431 142 THR CA C 60.458 0.000 1 1339 431 142 THR CB C 71.316 0.000 1 1340 431 142 THR CG2 C 21.317 0.000 1 1341 431 142 THR N N 115.626 0.034 1 1342 432 143 ASP H H 8.757 0.002 1 1343 432 143 ASP HA H 4.176 0.003 1 1344 432 143 ASP HB2 H 2.522 0.001 2 1345 432 143 ASP HB3 H 2.520 0.001 2 1346 432 143 ASP N N 120.306 0.014 1 1347 433 144 ALA H H 8.096 0.002 1 1348 433 144 ALA HA H 3.709 0.007 1 1349 433 144 ALA HB H 0.941 0.007 1 1350 433 144 ALA CA C 54.792 0.000 1 1351 433 144 ALA CB C 17.534 0.002 1 1352 433 144 ALA N N 123.055 0.030 1 1353 434 145 ASP H H 7.680 0.003 1 1354 434 145 ASP HA H 4.559 0.004 1 1355 434 145 ASP HB2 H 3.006 0.003 2 1356 434 145 ASP HB3 H 2.569 0.003 2 1357 434 145 ASP N N 118.277 0.023 1 1358 435 146 LYS H H 7.984 0.002 1 1359 435 146 LYS HA H 3.786 0.007 1 1360 435 146 LYS HB2 H 1.872 0.003 2 1361 435 146 LYS HB3 H 1.803 0.004 2 1362 435 146 LYS HG2 H 1.639 0.000 2 1363 435 146 LYS HG3 H 1.096 0.004 2 1364 435 146 LYS HD2 H 1.560 0.000 2 1365 435 146 LYS HD3 H 1.401 0.000 2 1366 435 146 LYS HE2 H 2.806 0.003 2 1367 435 146 LYS HE3 H 2.707 0.004 2 1368 435 146 LYS CA C 60.417 0.000 1 1369 435 146 LYS CE C 41.859 0.011 1 1370 435 146 LYS N N 119.619 0.024 1 1371 436 147 LYS H H 7.713 0.002 1 1372 436 147 LYS HA H 3.918 0.002 1 1373 436 147 LYS HB2 H 1.633 0.002 2 1374 436 147 LYS HB3 H 1.617 0.003 2 1375 436 147 LYS HG2 H 1.185 0.003 2 1376 436 147 LYS HG3 H 0.831 0.002 2 1377 436 147 LYS HD2 H 1.354 0.000 2 1378 436 147 LYS HD3 H 1.272 0.000 2 1379 436 147 LYS HE2 H 2.583 0.000 2 1380 436 147 LYS HE3 H 2.564 0.019 2 1381 436 147 LYS CA C 58.992 0.031 1 1382 436 147 LYS CB C 31.813 0.000 1 1383 436 147 LYS CG C 24.497 0.037 1 1384 436 147 LYS CD C 28.777 0.008 1 1385 436 147 LYS CE C 41.454 0.004 1 1386 436 147 LYS N N 121.073 0.027 1 1387 437 148 TRP H H 8.921 0.003 1 1388 437 148 TRP HA H 4.561 0.001 1 1389 437 148 TRP HB2 H 3.279 0.007 2 1390 437 148 TRP HB3 H 3.746 0.003 2 1391 437 148 TRP HD1 H 7.337 0.004 1 1392 437 148 TRP HE1 H 10.117 0.004 1 1393 437 148 TRP HE3 H 7.625 0.004 1 1394 437 148 TRP HZ2 H 7.433 0.004 1 1395 437 148 TRP HZ3 H 7.153 0.005 1 1396 437 148 TRP HH2 H 7.157 0.004 1 1397 437 148 TRP CB C 28.601 0.083 1 1398 437 148 TRP CD1 C 126.572 0.000 1 1399 437 148 TRP CE3 C 121.464 0.000 1 1400 437 148 TRP CZ2 C 114.871 0.000 1 1401 437 148 TRP CZ3 C 122.423 0.000 1 1402 437 148 TRP CH2 C 124.724 0.000 1 1403 437 148 TRP N N 121.701 0.036 1 1404 437 148 TRP NE1 N 127.785 0.013 1 1405 438 149 SER H H 7.926 0.003 1 1406 438 149 SER HA H 3.805 0.005 1 1407 438 149 SER HB2 H 3.991 0.003 2 1408 438 149 SER HB3 H 3.456 0.002 2 1409 438 149 SER HG H 4.171 0.003 1 1410 438 149 SER CA C 63.780 0.000 1 1411 438 149 SER CB C 63.808 0.000 1 1412 438 149 SER N N 111.214 0.012 1 1413 439 150 VAL H H 6.751 0.003 1 1414 439 150 VAL HA H 4.787 0.005 1 1415 439 150 VAL HB H 1.824 0.005 1 1416 439 150 VAL HG1 H 0.669 0.003 2 1417 439 150 VAL HG2 H 0.847 0.003 2 1418 439 150 VAL CA C 61.158 0.000 1 1419 439 150 VAL CB C 32.694 0.000 1 1420 439 150 VAL CG1 C 21.083 0.031 2 1421 439 150 VAL CG2 C 19.748 0.029 2 1422 439 150 VAL N N 110.138 0.015 1 1423 440 151 SER H H 7.537 0.002 1 1424 440 151 SER HA H 4.637 0.005 1 1425 440 151 SER HB2 H 3.824 0.001 2 1426 440 151 SER HB3 H 3.734 0.004 2 1427 440 151 SER CB C 65.501 0.020 1 1428 440 151 SER N N 112.789 0.019 1 1429 441 152 ALA H H 7.804 0.004 1 1430 441 152 ALA HA H 4.385 0.005 1 1431 441 152 ALA HB H 1.695 0.003 1 1432 441 152 ALA CA C 52.757 0.000 1 1433 441 152 ALA CB C 22.079 0.007 1 1434 441 152 ALA N N 125.816 0.025 1 1435 442 153 GLN H H 8.863 0.003 1 1436 442 153 GLN HA H 3.805 0.004 1 1437 442 153 GLN HB2 H 1.970 0.002 2 1438 442 153 GLN HB3 H 2.478 0.004 2 1439 442 153 GLN HG2 H 2.609 0.005 2 1440 442 153 GLN HG3 H 2.687 0.001 2 1441 442 153 GLN N N 117.658 0.012 1 1442 443 154 TRP H H 8.244 0.003 1 1443 443 154 TRP HA H 4.581 0.002 1 1444 443 154 TRP HB2 H 2.920 0.017 2 1445 443 154 TRP HB3 H 3.917 0.007 2 1446 443 154 TRP HD1 H 7.365 0.005 1 1447 443 154 TRP HE1 H 9.730 0.003 1 1448 443 154 TRP HE3 H 8.042 0.004 1 1449 443 154 TRP HZ2 H 6.564 0.004 1 1450 443 154 TRP HZ3 H 6.905 0.005 1 1451 443 154 TRP HH2 H 6.370 0.003 1 1452 443 154 TRP CB C 31.246 0.000 1 1453 443 154 TRP CD1 C 127.025 0.000 1 1454 443 154 TRP CE3 C 124.131 0.000 1 1455 443 154 TRP CZ2 C 113.354 0.000 1 1456 443 154 TRP CZ3 C 120.516 0.000 1 1457 443 154 TRP CH2 C 123.003 0.000 1 1458 443 154 TRP N N 120.150 0.036 1 1459 443 154 TRP NE1 N 128.785 0.040 1 1460 444 155 GLY H H 8.509 0.002 1 1461 444 155 GLY HA2 H 4.417 0.006 2 1462 444 155 GLY HA3 H 3.413 0.002 2 1463 444 155 GLY CA C 43.319 0.006 1 1464 444 155 GLY N N 106.337 0.024 1 1465 445 156 GLY H H 8.423 0.003 1 1466 445 156 GLY HA2 H 3.607 0.006 2 1467 445 156 GLY HA3 H 4.386 0.001 2 1468 445 156 GLY N N 101.007 0.044 1 1469 446 157 THR H H 8.430 0.002 1 1470 446 157 THR HA H 4.107 0.007 1 1471 446 157 THR HB H 4.221 0.006 1 1472 446 157 THR HG1 H 5.870 0.003 1 1473 446 157 THR HG2 H 0.073 0.005 1 1474 446 157 THR CA C 61.151 0.000 1 1475 446 157 THR CB C 68.377 0.000 1 1476 446 157 THR CG2 C 21.638 0.000 1 1477 446 157 THR N N 106.471 0.016 1 1478 447 158 SER H H 9.210 0.003 1 1479 447 158 SER HA H 3.934 0.003 1 1480 447 158 SER HB2 H 4.364 0.003 2 1481 447 158 SER HB3 H 3.564 0.003 2 1482 447 158 SER CA C 57.632 0.000 1 1483 447 158 SER CB C 63.198 0.000 1 1484 447 158 SER N N 119.856 0.018 1 1485 448 159 GLY H H 7.878 0.002 1 1486 448 159 GLY HA2 H 3.399 0.002 2 1487 448 159 GLY HA3 H 4.259 0.004 2 1488 448 159 GLY CA C 44.679 0.004 1 1489 448 159 GLY N N 105.404 0.020 1 1490 449 160 GLN H H 7.404 0.002 1 1491 449 160 GLN HA H 4.459 0.005 1 1492 449 160 GLN HB2 H 1.780 0.014 2 1493 449 160 GLN HB3 H 2.225 0.003 2 1494 449 160 GLN HG2 H 2.458 0.004 2 1495 449 160 GLN HG3 H 2.348 0.003 2 1496 449 160 GLN HE21 H 7.642 0.002 1 1497 449 160 GLN HE22 H 6.878 0.001 1 1498 449 160 GLN CA C 53.609 0.021 1 1499 449 160 GLN CB C 27.645 0.012 1 1500 449 160 GLN CG C 33.820 0.023 1 1501 449 160 GLN N N 122.602 0.019 1 1502 449 160 GLN NE2 N 112.654 0.030 1 1503 450 161 PRO HA H 4.140 0.003 1 1504 450 161 PRO HB2 H 2.107 0.001 2 1505 450 161 PRO HB3 H 1.673 0.000 2 1506 450 161 PRO HG2 H 1.894 0.008 2 1507 450 161 PRO HD2 H 3.640 0.000 2 1508 450 161 PRO HD3 H 3.526 0.002 2 1509 450 161 PRO CA C 62.213 0.000 1 1510 450 161 PRO CB C 31.872 0.015 1 1511 450 161 PRO CG C 27.207 0.008 1 1512 450 161 PRO CD C 50.192 0.030 1 1513 451 162 LEU H H 8.134 0.004 1 1514 451 162 LEU HA H 3.964 0.004 1 1515 451 162 LEU HB2 H 1.616 0.101 2 1516 451 162 LEU HB3 H 1.279 0.008 2 1517 451 162 LEU HG H 1.598 0.003 1 1518 451 162 LEU HD1 H 0.891 0.003 2 1519 451 162 LEU HD2 H 0.749 0.005 2 1520 451 162 LEU CA C 56.039 0.016 1 1521 451 162 LEU CB C 41.515 0.008 1 1522 451 162 LEU CG C 27.032 0.000 1 1523 451 162 LEU CD1 C 25.711 0.052 2 1524 451 162 LEU CD2 C 24.539 0.012 2 1525 451 162 LEU N N 118.331 0.018 1 1526 452 163 VAL H H 6.595 0.003 1 1527 452 163 VAL HA H 4.468 0.002 1 1528 452 163 VAL HB H 2.217 0.001 1 1529 452 163 VAL HG1 H 0.847 0.004 2 1530 452 163 VAL HG2 H 0.951 0.003 2 1531 452 163 VAL CA C 58.518 0.000 1 1532 452 163 VAL CB C 36.686 0.000 1 1533 452 163 VAL CG1 C 21.257 0.000 2 1534 452 163 VAL CG2 C 18.764 0.000 2 1535 452 163 VAL N N 116.189 0.034 1 1536 453 164 THR H H 8.373 0.002 1 1537 453 164 THR HA H 3.867 0.003 1 1538 453 164 THR HB H 4.077 0.002 1 1539 453 164 THR HG2 H 1.335 0.002 1 1540 453 164 THR CA C 64.516 0.000 1 1541 453 164 THR CB C 69.454 0.000 1 1542 453 164 THR CG2 C 21.929 0.000 1 1543 453 164 THR N N 117.136 0.022 1 1544 454 165 GLY H H 8.978 0.003 1 1545 454 165 GLY HA2 H 3.678 0.005 2 1546 454 165 GLY HA3 H 4.336 0.009 2 1547 454 165 GLY CA C 45.669 0.013 1 1548 454 165 GLY N N 113.471 0.038 1 1549 455 166 ILE H H 7.874 0.003 1 1550 455 166 ILE HA H 4.304 0.002 1 1551 455 166 ILE HB H 1.813 0.003 1 1552 455 166 ILE HG12 H 1.217 0.002 2 1553 455 166 ILE HG13 H 1.221 0.004 2 1554 455 166 ILE HG2 H 1.301 0.002 1 1555 455 166 ILE HD1 H 0.835 0.005 1 1556 455 166 ILE CA C 63.114 0.000 1 1557 455 166 ILE CB C 38.832 0.000 1 1558 455 166 ILE CG2 C 16.815 0.000 1 1559 455 166 ILE N N 121.186 0.029 1 1560 456 167 VAL H H 8.164 0.006 1 1561 456 167 VAL HA H 5.181 0.009 1 1562 456 167 VAL HB H 1.824 0.003 1 1563 456 167 VAL HG1 H 0.533 0.003 2 1564 456 167 VAL HG2 H 0.755 0.005 2 1565 456 167 VAL CA C 60.054 0.000 1 1566 456 167 VAL CB C 33.527 0.000 1 1567 456 167 VAL CG1 C 22.094 0.000 2 1568 456 167 VAL CG2 C 21.292 0.058 2 1569 456 167 VAL N N 125.463 0.042 1 1570 457 168 PHE H H 7.944 0.003 1 1571 457 168 PHE HA H 5.323 0.005 1 1572 457 168 PHE HB2 H 3.084 0.003 2 1573 457 168 PHE HB3 H 3.029 0.005 2 1574 457 168 PHE HD1 H 7.008 0.002 3 1575 457 168 PHE HD2 H 7.008 0.002 3 1576 457 168 PHE HE1 H 6.706 0.004 3 1577 457 168 PHE HE2 H 6.706 0.004 3 1578 457 168 PHE HZ H 6.904 0.003 1 1579 457 168 PHE CA C 55.054 0.000 1 1580 457 168 PHE CB C 39.934 0.009 1 1581 457 168 PHE CE1 C 129.494 0.000 3 1582 457 168 PHE CE2 C 129.494 0.000 3 1583 457 168 PHE N N 117.822 0.016 1 1584 458 169 GLU H H 9.655 0.004 1 1585 458 169 GLU HA H 4.617 0.004 1 1586 458 169 GLU HB2 H 2.208 0.003 2 1587 458 169 GLU HB3 H 2.110 0.001 2 1588 458 169 GLU HG2 H 2.044 0.005 2 1589 458 169 GLU HG3 H 2.664 0.002 2 1590 458 169 GLU N N 118.160 0.046 1 1591 459 170 GLU H H 8.814 0.003 1 1592 459 170 GLU HA H 3.658 0.003 1 1593 459 170 GLU HB2 H 2.347 0.004 2 1594 459 170 GLU HB3 H 1.700 0.000 2 1595 459 170 GLU HG2 H 2.088 0.009 2 1596 459 170 GLU HG3 H 1.941 0.003 2 1597 459 170 GLU CA C 53.958 0.000 1 1598 459 170 GLU N N 121.374 0.045 1 1599 460 171 PRO HA H 5.075 0.006 1 1600 460 171 PRO HB2 H 1.737 0.107 2 1601 460 171 PRO HB3 H 1.960 0.010 2 1602 460 171 PRO HG2 H 1.597 0.002 2 1603 460 171 PRO HG3 H 1.421 0.015 2 1604 460 171 PRO HD2 H 2.751 0.004 2 1605 460 171 PRO HD3 H 3.204 0.004 2 1606 460 171 PRO CA C 61.356 0.000 1 1607 460 171 PRO CB C 32.198 0.000 1 1608 460 171 PRO CD C 50.920 0.031 1 1609 461 172 ASP H H 7.330 0.005 1 1610 461 172 ASP HA H 4.103 0.000 1 1611 461 172 ASP HB2 H 2.686 0.013 2 1612 461 172 ASP HB3 H 2.653 0.012 2 1613 461 172 ASP N N 120.290 0.027 1 1614 462 173 ILE H H 7.621 0.010 1 1615 462 173 ILE HA H 3.265 0.005 1 1616 462 173 ILE HB H 1.033 0.010 1 1617 462 173 ILE HG12 H 1.082 0.005 2 1618 462 173 ILE HG13 H 0.857 0.004 2 1619 462 173 ILE HG2 H 0.560 0.012 1 1620 462 173 ILE HD1 H 0.824 0.005 1 1621 462 173 ILE CA C 59.394 0.000 1 1622 462 173 ILE CB C 39.500 0.000 1 1623 462 173 ILE CG1 C 26.062 0.001 1 1624 462 173 ILE CG2 C 17.097 0.000 1 1625 462 173 ILE CD1 C 13.942 0.000 1 1626 462 173 ILE N N 116.351 0.006 1 1627 463 174 ILE H H 5.516 0.006 1 1628 463 174 ILE HA H 3.997 0.002 1 1629 463 174 ILE HB H 1.610 0.005 1 1630 463 174 ILE HG12 H 1.138 0.005 2 1631 463 174 ILE HG13 H 0.769 0.004 2 1632 463 174 ILE HG2 H 0.694 0.003 1 1633 463 174 ILE HD1 H 0.600 0.009 1 1634 463 174 ILE CA C 59.797 0.000 1 1635 463 174 ILE CB C 38.063 0.000 1 1636 463 174 ILE CG1 C 26.782 0.004 1 1637 463 174 ILE CG2 C 17.168 0.000 1 1638 463 174 ILE CD1 C 11.905 0.000 1 1639 463 174 ILE N N 122.314 0.017 1 1640 464 175 VAL H H 8.209 0.009 1 1641 464 175 VAL HA H 4.039 0.005 1 1642 464 175 VAL HB H 1.967 0.003 1 1643 464 175 VAL HG1 H 0.864 0.003 2 1644 464 175 VAL HG2 H 0.862 0.001 2 1645 464 175 VAL CA C 62.384 0.000 1 1646 464 175 VAL CB C 32.674 0.000 1 1647 464 175 VAL CG1 C 20.833 0.021 2 1648 464 175 VAL N N 125.608 0.042 1 1649 465 176 GLY H H 8.429 0.002 1 1650 465 176 GLY HA2 H 4.043 0.000 2 1651 465 176 GLY HA3 H 3.965 0.000 2 1652 465 176 GLY N N 112.885 0.023 1 stop_ save_