data_30330 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of yeast Med15 ABD2 residues 277-368 ; _BMRB_accession_number 30330 _BMRB_flat_file_name bmr30330.str _Entry_type original _Submission_date 2017-08-08 _Accession_date 2017-08-08 _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 Tuttle L. M. . 2 Pacheco D. . . 3 Warfield L. . . 4 Hahn S. . . 5 Klevit R. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 380 "13C chemical shifts" 379 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-10 update BMRB 'update entry citation' 2018-03-16 original author 'original release' stop_ _Original_release_date 2017-10-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Gcn4-Mediator Specificity Is Mediated by a Large and Dynamic Fuzzy Protein-Protein Complex. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29562181 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tuttle L. M. . 2 Pachecko D. . . 3 Warfield L. . . 4 Luo J. . . 5 Ranish J. . . 6 Hahn S. . . 7 Klevit R. E. . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_name_full 'Cell reports' _Journal_volume 22 _Journal_issue 12 _Journal_ISSN 2211-1247 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3251 _Page_last 3264 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mediator of RNA polymerase II transcription subunit 15' _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 10525.714 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; NNPLQQQSSQNTVPNVLNQI NQIFSPEEQRSLLQEAIETC KNFEKTQLGSTMTEPVKQSF IRKYINQKALRKIQALRDVK NNNNANNNGSNL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 277 ASN 2 278 ASN 3 279 PRO 4 280 LEU 5 281 GLN 6 282 GLN 7 283 GLN 8 284 SER 9 285 SER 10 286 GLN 11 287 ASN 12 288 THR 13 289 VAL 14 290 PRO 15 291 ASN 16 292 VAL 17 293 LEU 18 294 ASN 19 295 GLN 20 296 ILE 21 297 ASN 22 298 GLN 23 299 ILE 24 300 PHE 25 301 SER 26 302 PRO 27 303 GLU 28 304 GLU 29 305 GLN 30 306 ARG 31 307 SER 32 308 LEU 33 309 LEU 34 310 GLN 35 311 GLU 36 312 ALA 37 313 ILE 38 314 GLU 39 315 THR 40 316 CYS 41 317 LYS 42 318 ASN 43 319 PHE 44 320 GLU 45 321 LYS 46 322 THR 47 323 GLN 48 324 LEU 49 325 GLY 50 326 SER 51 327 THR 52 328 MET 53 329 THR 54 330 GLU 55 331 PRO 56 332 VAL 57 333 LYS 58 334 GLN 59 335 SER 60 336 PHE 61 337 ILE 62 338 ARG 63 339 LYS 64 340 TYR 65 341 ILE 66 342 ASN 67 343 GLN 68 344 LYS 69 345 ALA 70 346 LEU 71 347 ARG 72 348 LYS 73 349 ILE 74 350 GLN 75 351 ALA 76 352 LEU 77 353 ARG 78 354 ASP 79 355 VAL 80 356 LYS 81 357 ASN 82 358 ASN 83 359 ASN 84 360 ASN 85 361 ALA 86 362 ASN 87 363 ASN 88 364 ASN 89 365 GLY 90 366 SER 91 367 ASN 92 368 LEU 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 $entity_1 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 '20 mM sodium phosphate, 150 mM sodium chloride, 0.1 mM EDTA, 0.1 mM PMSF, 5 mM DTT, 500 uM [U-15N] Med15 ABD2, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 5 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $entity_1 500 uM [U-15N] PMSF 0.1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 mM EDTA, 0.1 mM PMSF, 5 mM DTT, 500 uM [U-13C; U-15N] Med15 ABD2, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 5 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $entity_1 500 uM '[U-13C; U-15N]' PMSF 0.1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 150 mM sodium chloride, 0.1 mM EDTA, 0.1 mM PMSF, 5 mM DTT, 500 uM [U-13C; U-15N] Med15 ABD2, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 5 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $entity_1 500 uM '[U-13C; U-15N]' PMSF 0.1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 20 mM sodium phosphate, 150 mM sodium chloride, 0.1 mM EDTA, 0.1 mM PMSF, 5 mM DTT, 10 % C12E6/Hexanol, 2.6 mM [U-15N] Med15 ABD2, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling C12E6/Hexanol 10 % 'natural abundance' DTT 5 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' $entity_1 2.6 mM [U-15N] PMSF 0.1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_2 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.45 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_IPAP_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_IPAP_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _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' 150 . mM pH 6.5 0.05 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' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D HBHA(CO)NH' '3D 1H-13C NOESY aromatic' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '2D 1H-15N HSQC IPAP' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 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 1 277 1 ASN C C 174.0880 0.0000 1 2 277 1 ASN CA C 53.2296 0.0000 1 3 277 1 ASN CB C 38.9670 0.0000 1 4 278 2 ASN HA H 4.9642 0.0000 1 5 278 2 ASN HB2 H 2.8160 0.0000 1 6 278 2 ASN CA C 51.2214 0.0000 1 7 278 2 ASN CB C 38.6136 0.0000 1 8 278 2 ASN N N 120.4420 0.0000 1 9 279 3 PRO HA H 4.3921 0.0000 1 10 279 3 PRO HB2 H 2.2950 0.0000 1 11 279 3 PRO HB3 H 1.9176 0.0000 2 12 279 3 PRO HG2 H 2.0060 0.0000 1 13 279 3 PRO HD2 H 3.8001 0.0000 1 14 279 3 PRO HD3 H 3.7432 0.0000 2 15 279 3 PRO C C 177.0390 0.0000 1 16 279 3 PRO CA C 63.7998 0.0000 1 17 279 3 PRO CB C 32.2321 0.0000 1 18 279 3 PRO CG C 27.4649 0.0000 1 19 279 3 PRO CD C 50.7624 0.0000 1 20 280 4 LEU H H 8.1660 0.0000 1 21 280 4 LEU HA H 4.2760 0.0000 1 22 280 4 LEU HB2 H 1.6522 0.0000 1 23 280 4 LEU HB3 H 1.5747 0.0000 2 24 280 4 LEU HD1 H 0.8502 0.0000 1 25 280 4 LEU HD2 H 0.9234 0.0000 1 26 280 4 LEU C C 177.5170 0.0000 1 27 280 4 LEU CA C 55.5821 0.0000 1 28 280 4 LEU CB C 41.9418 0.0000 1 29 280 4 LEU CG C 27.1350 0.0000 1 30 280 4 LEU CD1 C 23.3727 0.0000 1 31 280 4 LEU CD2 C 25.0466 0.0000 1 32 280 4 LEU N N 120.3420 0.0000 1 33 281 5 GLN H H 8.0520 0.0000 1 34 281 5 GLN HA H 4.3114 0.0000 1 35 281 5 GLN HB2 H 2.1065 0.0000 1 36 281 5 GLN HG2 H 2.3360 0.0000 1 37 281 5 GLN C C 175.8940 0.0000 1 38 281 5 GLN CA C 56.1465 0.0000 1 39 281 5 GLN CB C 29.3332 0.0000 1 40 281 5 GLN CG C 33.7580 0.0000 1 41 281 5 GLN N N 120.3720 0.0000 1 42 282 6 GLN H H 8.3080 0.0000 1 43 282 6 GLN HA H 4.3346 0.0000 1 44 282 6 GLN HB2 H 2.0814 0.0000 1 45 282 6 GLN HG2 H 2.3470 0.0000 1 46 282 6 GLN C C 176.0210 0.0000 1 47 282 6 GLN CA C 55.8114 0.0000 1 48 282 6 GLN CB C 29.1341 0.0000 1 49 282 6 GLN CG C 33.7940 0.0000 1 50 282 6 GLN N N 121.5120 0.0000 1 51 283 7 GLN H H 8.4470 0.0000 1 52 283 7 GLN HA H 4.3474 0.0000 1 53 283 7 GLN HB2 H 2.1065 0.0000 1 54 283 7 GLN HG2 H 2.3760 0.0000 1 55 283 7 GLN C C 176.0980 0.0000 1 56 283 7 GLN CA C 55.8552 0.0000 1 57 283 7 GLN CB C 29.3332 0.0000 1 58 283 7 GLN CG C 33.7560 0.0000 1 59 283 7 GLN N N 121.7030 0.0000 1 60 284 8 SER H H 8.4130 0.0000 1 61 284 8 SER HA H 4.4711 0.0000 1 62 284 8 SER HB2 H 3.8725 0.0000 1 63 284 8 SER C C 174.7220 0.0000 1 64 284 8 SER CA C 58.0370 0.0000 1 65 284 8 SER CB C 63.7838 0.0000 1 66 284 8 SER N N 117.1360 0.0000 1 67 285 9 SER H H 8.3780 0.0000 1 68 285 9 SER HA H 4.4451 0.0000 1 69 285 9 SER HB2 H 3.8999 0.0000 1 70 285 9 SER C C 174.5940 0.0000 1 71 285 9 SER CA C 58.5103 0.0000 1 72 285 9 SER CB C 63.8447 0.0000 1 73 285 9 SER N N 117.9150 0.0000 1 74 286 10 GLN H H 8.3700 0.0000 1 75 286 10 GLN HA H 4.3297 0.0000 1 76 286 10 GLN HB2 H 2.1054 0.0000 1 77 286 10 GLN HG2 H 2.3430 0.0000 1 78 286 10 GLN C C 175.6740 0.0000 1 79 286 10 GLN CA C 55.9965 0.0000 1 80 286 10 GLN CB C 28.8957 0.0000 1 81 286 10 GLN CG C 33.7220 0.0000 1 82 286 10 GLN N N 121.5740 0.0000 1 83 287 11 ASN H H 8.3870 0.0000 1 84 287 11 ASN HA H 4.7408 0.0000 1 85 287 11 ASN HB2 H 2.7591 0.0000 1 86 287 11 ASN C C 175.1260 0.0000 1 87 287 11 ASN CA C 53.0397 0.0000 1 88 287 11 ASN CB C 38.7532 0.0000 1 89 287 11 ASN N N 119.4950 0.0000 1 90 288 12 THR H H 8.0460 0.0000 1 91 288 12 THR HA H 4.3132 0.0000 1 92 288 12 THR HB H 4.1560 0.0000 1 93 288 12 THR HG2 H 1.1459 0.0000 1 94 288 12 THR C C 174.1420 0.0000 1 95 288 12 THR CA C 61.5326 0.0000 1 96 288 12 THR CB C 69.6368 0.0000 1 97 288 12 THR CG2 C 21.6626 0.0000 1 98 288 12 THR N N 114.7730 0.0000 1 99 289 13 VAL H H 8.1560 0.0000 1 100 289 13 VAL HA H 4.3979 0.0000 1 101 289 13 VAL HB H 2.0562 0.0000 1 102 289 13 VAL HG1 H 0.9222 0.0000 1 103 289 13 VAL HG2 H 0.8881 0.0000 1 104 289 13 VAL CA C 60.0691 0.0000 1 105 289 13 VAL CB C 32.5703 0.0000 1 106 289 13 VAL CG1 C 21.2018 0.0000 1 107 289 13 VAL CG2 C 20.3417 0.0000 1 108 289 13 VAL N N 123.7490 0.0000 1 109 290 14 PRO HA H 4.3363 0.0000 1 110 290 14 PRO HB2 H 1.8377 0.0000 1 111 290 14 PRO HB3 H 2.2361 0.0000 2 112 290 14 PRO HG2 H 1.9369 0.0000 1 113 290 14 PRO HG3 H 2.0040 0.0000 2 114 290 14 PRO HD2 H 3.6259 0.0000 1 115 290 14 PRO HD3 H 3.8444 0.0000 2 116 290 14 PRO C C 176.4430 0.0000 1 117 290 14 PRO CA C 63.4602 0.0000 1 118 290 14 PRO CB C 32.3232 0.0000 1 119 290 14 PRO CG C 27.4089 0.0000 1 120 290 14 PRO CD C 50.9235 0.0000 1 121 291 15 ASN H H 8.4610 0.0000 1 122 291 15 ASN HA H 4.7939 0.0000 1 123 291 15 ASN HB2 H 2.9077 0.0000 1 124 291 15 ASN HB3 H 2.7460 0.0000 2 125 291 15 ASN C C 176.3100 0.0000 1 126 291 15 ASN CA C 52.6814 0.0000 1 127 291 15 ASN CB C 38.7649 0.0000 1 128 291 15 ASN N N 119.3780 0.0000 1 129 292 16 VAL H H 8.8871 0.0000 1 130 292 16 VAL HA H 4.4009 0.0000 1 131 292 16 VAL HB H 2.2675 0.0000 1 132 292 16 VAL HG1 H 0.7973 0.0000 1 133 292 16 VAL HG2 H 0.7486 0.0000 1 134 292 16 VAL C C 176.6340 0.0000 1 135 292 16 VAL CA C 61.2082 0.0000 1 136 292 16 VAL CB C 31.9620 0.0000 1 137 292 16 VAL CG1 C 21.3573 0.0000 1 138 292 16 VAL CG2 C 20.2488 0.0000 1 139 292 16 VAL N N 120.3140 0.0000 1 140 293 17 LEU H H 8.1000 0.0000 1 141 293 17 LEU HA H 4.0351 0.0000 1 142 293 17 LEU HB2 H 1.8959 0.0000 1 143 293 17 LEU HD1 H 0.9552 0.0000 1 144 293 17 LEU C C 178.6690 0.0000 1 145 293 17 LEU CA C 57.4770 0.0000 1 146 293 17 LEU CB C 41.3120 0.0000 1 147 293 17 LEU CG C 27.5470 0.0000 1 148 293 17 LEU CD1 C 25.2671 0.0000 1 149 293 17 LEU CD2 C 23.0651 0.0000 1 150 293 17 LEU N N 122.0830 0.0000 1 151 294 18 ASN H H 8.4220 0.0000 1 152 294 18 ASN HA H 4.5691 0.0000 1 153 294 18 ASN HB2 H 2.8755 0.0000 1 154 294 18 ASN C C 176.0490 0.0000 1 155 294 18 ASN CA C 54.7790 0.0000 1 156 294 18 ASN CB C 38.4739 0.0000 1 157 294 18 ASN N N 117.0600 0.0000 1 158 295 19 GLN H H 8.1020 0.0000 1 159 295 19 GLN HA H 4.5222 0.0000 1 160 295 19 GLN HB2 H 2.0036 0.0000 1 161 295 19 GLN HB3 H 2.2731 0.0000 2 162 295 19 GLN HG2 H 2.5720 0.0000 1 163 295 19 GLN C C 177.3840 0.0000 1 164 295 19 GLN CA C 55.9621 0.0000 1 165 295 19 GLN CB C 30.0135 0.0000 1 166 295 19 GLN N N 118.2830 0.0000 1 167 296 20 ILE H H 7.6130 0.0000 1 168 296 20 ILE HA H 3.8676 0.0000 1 169 296 20 ILE HB H 2.0870 0.0000 1 170 296 20 ILE HG12 H 1.5994 0.0000 1 171 296 20 ILE HG2 H 0.9812 0.0000 1 172 296 20 ILE HD1 H 0.9143 0.0000 1 173 296 20 ILE C C 176.0980 0.0000 1 174 296 20 ILE CA C 63.9022 0.0000 1 175 296 20 ILE CB C 38.4488 0.0000 1 176 296 20 ILE CG1 C 29.1177 0.0000 1 177 296 20 ILE CG2 C 17.1519 0.0000 1 178 296 20 ILE CD1 C 13.8491 0.0000 1 179 296 20 ILE N N 120.2570 0.0000 1 180 297 21 ASN H H 8.4830 0.0000 1 181 297 21 ASN HA H 4.6173 0.0000 1 182 297 21 ASN HB2 H 2.8616 0.0000 1 183 297 21 ASN C C 176.0050 0.0000 1 184 297 21 ASN CA C 55.0899 0.0000 1 185 297 21 ASN CB C 38.2033 0.0000 1 186 297 21 ASN N N 117.7690 0.0000 1 187 298 22 GLN H H 7.9360 0.0000 1 188 298 22 GLN HA H 4.3238 0.0000 1 189 298 22 GLN HB2 H 2.1581 0.0000 1 190 298 22 GLN HE21 H 6.7020 0.0000 2 191 298 22 GLN C C 176.2340 0.0000 1 192 298 22 GLN CA C 56.4697 0.0000 1 193 298 22 GLN CB C 29.3334 0.0000 1 194 298 22 GLN CG C 34.2930 0.0000 1 195 298 22 GLN N N 117.0760 0.0000 1 196 299 23 ILE H H 7.5090 0.0000 1 197 299 23 ILE HA H 3.9367 0.0000 1 198 299 23 ILE HB H 1.4129 0.0000 1 199 299 23 ILE HG12 H 1.2661 0.0000 1 200 299 23 ILE HG2 H 0.2500 0.0000 1 201 299 23 ILE HD1 H 0.6081 0.0000 1 202 299 23 ILE C C 174.4030 0.0000 1 203 299 23 ILE CA C 62.4351 0.0000 1 204 299 23 ILE CB C 39.8843 0.0000 1 205 299 23 ILE CG1 C 27.1261 0.0000 1 206 299 23 ILE CG2 C 17.1637 0.0000 1 207 299 23 ILE CD1 C 14.1306 0.0000 1 208 299 23 ILE N N 117.0140 0.0000 1 209 300 24 PHE H H 7.9510 0.0000 1 210 300 24 PHE HA H 5.3088 0.0000 1 211 300 24 PHE HB2 H 2.7339 0.0000 1 212 300 24 PHE HB3 H 3.2496 0.0000 2 213 300 24 PHE HD1 H 7.1124 0.0000 1 214 300 24 PHE HE1 H 7.2631 0.0000 3 215 300 24 PHE HE2 H 7.2624 0.0000 3 216 300 24 PHE C C 175.8340 0.0000 1 217 300 24 PHE CA C 55.3914 0.0000 1 218 300 24 PHE CB C 43.0789 0.0000 1 219 300 24 PHE CD1 C 131.4015 0.0000 1 220 300 24 PHE CE1 C 131.5123 0.0000 3 221 300 24 PHE CE2 C 132.3201 0.0000 3 222 300 24 PHE N N 118.1190 0.0000 1 223 301 25 SER H H 9.6743 0.0000 1 224 301 25 SER CA C 57.0558 0.0000 1 225 301 25 SER CB C 62.8278 0.0000 1 226 301 25 SER N N 121.6830 0.0000 1 227 302 26 PRO HA H 4.1508 0.0000 1 228 302 26 PRO HB2 H 2.4276 0.0000 1 229 302 26 PRO HB3 H 1.9727 0.0000 2 230 302 26 PRO HD2 H 4.0475 0.0000 1 231 302 26 PRO HD3 H 3.9442 0.0000 2 232 302 26 PRO C C 179.3850 0.0000 1 233 302 26 PRO CA C 66.6550 0.0000 1 234 302 26 PRO CB C 31.8758 0.0000 1 235 302 26 PRO CG C 28.1740 0.0000 1 236 302 26 PRO CD C 50.1349 0.0000 1 237 303 27 GLU H H 8.7330 0.0000 1 238 303 27 GLU HA H 4.0505 0.0000 1 239 303 27 GLU HB2 H 1.9750 0.0000 1 240 303 27 GLU C C 179.3930 0.0000 1 241 303 27 GLU CA C 60.1095 0.0000 1 242 303 27 GLU CB C 29.4315 0.0000 1 243 303 27 GLU CG C 36.6600 0.0000 1 244 303 27 GLU N N 117.9090 0.0000 1 245 304 28 GLU H H 7.8820 0.0000 1 246 304 28 GLU HA H 4.0696 0.0000 1 247 304 28 GLU HB2 H 2.5847 0.0000 1 248 304 28 GLU HB3 H 1.9750 0.0000 2 249 304 28 GLU HG2 H 2.3028 0.0000 2 250 304 28 GLU C C 179.6370 0.0000 1 251 304 28 GLU CA C 59.0758 0.0000 1 252 304 28 GLU CB C 30.2244 0.0000 1 253 304 28 GLU CG C 37.3124 0.0000 1 254 304 28 GLU N N 121.3390 0.0000 1 255 305 29 GLN H H 8.7560 0.0000 1 256 305 29 GLN HA H 3.6054 0.0000 1 257 305 29 GLN HB2 H 2.1376 0.0000 1 258 305 29 GLN C C 178.0410 0.0000 1 259 305 29 GLN CA C 60.0843 0.0000 1 260 305 29 GLN CB C 29.0124 0.0000 1 261 305 29 GLN CG C 35.4250 0.0000 1 262 305 29 GLN N N 118.8580 0.0000 1 263 306 30 ARG H H 7.8700 0.0000 1 264 306 30 ARG HA H 4.0669 0.0000 1 265 306 30 ARG HB2 H 2.0055 0.0000 1 266 306 30 ARG C C 179.1290 0.0000 1 267 306 30 ARG CA C 59.9807 0.0000 1 268 306 30 ARG CB C 29.9369 0.0000 1 269 306 30 ARG CG C 27.4910 0.0000 1 270 306 30 ARG CD C 43.4100 0.0000 1 271 306 30 ARG N N 119.7540 0.0000 1 272 307 31 SER H H 7.9280 0.0000 1 273 307 31 SER HA H 4.2204 0.0000 1 274 307 31 SER HB2 H 4.0206 0.0000 1 275 307 31 SER C C 176.8870 0.0000 1 276 307 31 SER CA C 61.3360 0.0000 1 277 307 31 SER CB C 63.2693 0.0000 1 278 307 31 SER N N 115.6680 0.0000 1 279 308 32 LEU H H 8.2780 0.0000 1 280 308 32 LEU HA H 4.1261 0.0000 1 281 308 32 LEU HB2 H 1.5697 0.0000 1 282 308 32 LEU HB3 H 1.4322 0.0000 2 283 308 32 LEU HG H 1.5435 0.0000 1 284 308 32 LEU HD1 H 0.4526 0.0000 1 285 308 32 LEU HD2 H 0.5739 0.0000 1 286 308 32 LEU C C 178.1500 0.0000 1 287 308 32 LEU CA C 57.7993 0.0000 1 288 308 32 LEU CB C 42.0282 0.0000 1 289 308 32 LEU CG C 27.2750 0.0000 1 290 308 32 LEU CD1 C 24.3264 0.0000 1 291 308 32 LEU CD2 C 25.2262 0.0000 1 292 308 32 LEU N N 123.9020 0.0000 1 293 309 33 LEU H H 7.9740 0.0000 1 294 309 33 LEU HA H 4.0772 0.0000 1 295 309 33 LEU HB2 H 1.8306 0.0000 1 296 309 33 LEU HD1 H 0.9610 0.0000 1 297 309 33 LEU HD2 H 0.8998 0.0000 1 298 309 33 LEU C C 178.2160 0.0000 1 299 309 33 LEU CA C 58.5400 0.0000 1 300 309 33 LEU CB C 41.6672 0.0000 1 301 309 33 LEU CD1 C 23.5789 0.0000 1 302 309 33 LEU CD2 C 25.2059 0.0000 1 303 309 33 LEU N N 120.1780 0.0000 1 304 310 34 GLN H H 7.6170 0.0000 1 305 310 34 GLN HA H 3.9857 0.0000 1 306 310 34 GLN HB2 H 2.1666 0.0000 1 307 310 34 GLN C C 178.4080 0.0000 1 308 310 34 GLN CA C 59.1187 0.0000 1 309 310 34 GLN CB C 27.8313 0.0000 1 310 310 34 GLN CG C 33.5370 0.0000 1 311 310 34 GLN N N 116.7210 0.0000 1 312 311 35 GLU H H 8.2240 0.0000 1 313 311 35 GLU HA H 4.0802 0.0000 1 314 311 35 GLU HB2 H 2.2633 0.0000 1 315 311 35 GLU HG2 H 2.4404 0.0000 1 316 311 35 GLU HG3 H 2.1503 0.0000 2 317 311 35 GLU C C 179.5510 0.0000 1 318 311 35 GLU CA C 59.3037 0.0000 1 319 311 35 GLU CB C 30.2013 0.0000 1 320 311 35 GLU CG C 36.3249 0.0000 1 321 311 35 GLU N N 120.5660 0.0000 1 322 312 36 ALA H H 8.7650 0.0000 1 323 312 36 ALA HA H 3.0570 0.0000 1 324 312 36 ALA HB H 1.5907 0.0000 1 325 312 36 ALA C C 179.2640 0.0000 1 326 312 36 ALA CA C 55.1930 0.0000 1 327 312 36 ALA CB C 19.9470 0.0000 1 328 312 36 ALA N N 125.9800 0.0000 1 329 313 37 ILE H H 8.4340 0.0000 1 330 313 37 ILE HA H 3.5443 0.0000 1 331 313 37 ILE HB H 1.9433 0.0000 1 332 313 37 ILE HG2 H 0.9284 0.0000 1 333 313 37 ILE HD1 H 0.8427 0.0000 1 334 313 37 ILE C C 178.7610 0.0000 1 335 313 37 ILE CA C 65.9953 0.0000 1 336 313 37 ILE CB C 38.2096 0.0000 1 337 313 37 ILE CG1 C 30.0520 0.0000 1 338 313 37 ILE CG2 C 16.9661 0.0000 1 339 313 37 ILE CD1 C 13.4654 0.0000 1 340 313 37 ILE N N 119.8190 0.0000 1 341 314 38 GLU H H 8.2560 0.0000 1 342 314 38 GLU HA H 3.9687 0.0000 1 343 314 38 GLU HB2 H 2.0826 0.0000 1 344 314 38 GLU HG2 H 2.3650 0.0000 1 345 314 38 GLU C C 179.2000 0.0000 1 346 314 38 GLU CA C 59.3177 0.0000 1 347 314 38 GLU CB C 29.5392 0.0000 1 348 314 38 GLU CG C 35.8880 0.0000 1 349 314 38 GLU N N 120.9210 0.0000 1 350 315 39 THR H H 8.2890 0.0000 1 351 315 39 THR HA H 3.9684 0.0000 1 352 315 39 THR HB H 4.0251 0.0000 1 353 315 39 THR HG2 H 1.3912 0.0000 1 354 315 39 THR C C 175.6960 0.0000 1 355 315 39 THR CA C 66.9787 0.0000 1 356 315 39 THR CB C 68.2072 0.0000 1 357 315 39 THR CG2 C 21.6506 0.0000 1 358 315 39 THR N N 117.2140 0.0000 1 359 316 40 CYS H H 8.3870 0.0000 1 360 316 40 CYS HA H 3.2590 0.0000 1 361 316 40 CYS HB2 H 3.0500 0.0000 1 362 316 40 CYS HB3 H 2.7182 0.0000 2 363 316 40 CYS C C 175.7890 0.0000 1 364 316 40 CYS CA C 63.2753 0.0000 1 365 316 40 CYS CB C 26.4106 0.0000 1 366 316 40 CYS N N 124.1140 0.0000 1 367 317 41 LYS H H 8.1860 0.0000 1 368 317 41 LYS HA H 4.1641 0.0000 1 369 317 41 LYS HB2 H 1.8791 0.0000 1 370 317 41 LYS HG3 H 1.4666 0.0000 2 371 317 41 LYS C C 179.3130 0.0000 1 372 317 41 LYS CA C 58.6897 0.0000 1 373 317 41 LYS CB C 32.5821 0.0000 1 374 317 41 LYS CG C 24.9670 0.0000 1 375 317 41 LYS CD C 29.3380 0.0000 1 376 317 41 LYS CE C 41.9460 0.0000 1 377 317 41 LYS N N 119.8120 0.0000 1 378 318 42 ASN H H 7.9740 0.0000 1 379 318 42 ASN HA H 4.5011 0.0000 1 380 318 42 ASN HB2 H 2.8281 0.0000 1 381 318 42 ASN C C 177.6560 0.0000 1 382 318 42 ASN CA C 55.6283 0.0000 1 383 318 42 ASN CB C 38.5119 0.0000 1 384 318 42 ASN N N 117.6870 0.0000 1 385 319 43 PHE H H 8.3690 0.0000 1 386 319 43 PHE HA H 4.3024 0.0000 1 387 319 43 PHE HB2 H 2.9604 0.0000 1 388 319 43 PHE HB3 H 3.1672 0.0000 2 389 319 43 PHE HD1 H 7.0678 0.0000 3 390 319 43 PHE HD2 H 7.0665 0.0000 1 391 319 43 PHE HE1 H 7.2623 0.0000 3 392 319 43 PHE HE2 H 7.2680 0.0000 3 393 319 43 PHE C C 178.2970 0.0000 1 394 319 43 PHE CA C 61.0140 0.0000 1 395 319 43 PHE CB C 39.1897 0.0000 1 396 319 43 PHE CD1 C 131.4643 0.0000 3 397 319 43 PHE CD2 C 132.4669 0.0000 3 398 319 43 PHE CE1 C 129.8128 0.0000 3 399 319 43 PHE CE2 C 130.6900 0.0000 3 400 319 43 PHE N N 123.7930 0.0000 1 401 320 44 GLU H H 8.6500 0.0000 1 402 320 44 GLU HA H 3.7898 0.0000 1 403 320 44 GLU HB2 H 2.2286 0.0000 1 404 320 44 GLU HG2 H 2.2352 0.0000 1 405 320 44 GLU C C 177.7220 0.0000 1 406 320 44 GLU CA C 59.4954 0.0000 1 407 320 44 GLU CB C 30.2804 0.0000 1 408 320 44 GLU CG C 37.3632 0.0000 1 409 320 44 GLU N N 121.2550 0.0000 1 410 321 45 LYS H H 7.5810 0.0000 1 411 321 45 LYS HA H 4.1473 0.0000 1 412 321 45 LYS HB2 H 1.9502 0.0000 1 413 321 45 LYS HG2 H 1.4630 0.0000 1 414 321 45 LYS C C 177.9610 0.0000 1 415 321 45 LYS CA C 58.4217 0.0000 1 416 321 45 LYS CB C 33.1472 0.0000 1 417 321 45 LYS CG C 24.9330 0.0000 1 418 321 45 LYS CD C 29.0920 0.0000 1 419 321 45 LYS CE C 42.1560 0.0000 1 420 321 45 LYS N N 116.0080 0.0000 1 421 322 46 THR H H 7.8650 0.0000 1 422 322 46 THR HA H 4.3317 0.0000 1 423 322 46 THR HB H 4.2804 0.0000 1 424 322 46 THR HG2 H 1.2700 0.0000 1 425 322 46 THR C C 174.9800 0.0000 1 426 322 46 THR CA C 62.4896 0.0000 1 427 322 46 THR CB C 70.4146 0.0000 1 428 322 46 THR CG2 C 21.5794 0.0000 1 429 322 46 THR N N 108.6200 0.0000 1 430 323 47 GLN H H 7.8080 0.0000 1 431 323 47 GLN HA H 4.2170 0.0000 1 432 323 47 GLN HB2 H 1.8468 0.0000 1 433 323 47 GLN HB3 H 1.6188 0.0000 2 434 323 47 GLN HG2 H 2.1230 0.0000 1 435 323 47 GLN C C 176.2900 0.0000 1 436 323 47 GLN CA C 56.0709 0.0000 1 437 323 47 GLN CB C 29.3605 0.0000 1 438 323 47 GLN CG C 33.6590 0.0000 1 439 323 47 GLN N N 120.5840 0.0000 1 440 324 48 LEU H H 7.7980 0.0000 1 441 324 48 LEU HA H 4.2324 0.0000 1 442 324 48 LEU HB2 H 1.6379 0.0000 1 443 324 48 LEU HG H 1.5366 0.0000 1 444 324 48 LEU HD1 H 0.9549 0.0000 1 445 324 48 LEU HD2 H 0.8865 0.0000 1 446 324 48 LEU C C 178.2890 0.0000 1 447 324 48 LEU CA C 55.9965 0.0000 1 448 324 48 LEU CB C 42.4387 0.0000 1 449 324 48 LEU CG C 26.8325 0.0000 1 450 324 48 LEU CD1 C 24.6693 0.0000 1 451 324 48 LEU CD2 C 23.9221 0.0000 1 452 324 48 LEU N N 120.3370 0.0000 1 453 325 49 GLY H H 8.2780 0.0000 1 454 325 49 GLY HA2 H 3.9005 0.0000 1 455 325 49 GLY HA3 H 3.7645 0.0000 2 456 325 49 GLY C C 174.0890 0.0000 1 457 325 49 GLY CA C 45.8768 0.0000 1 458 325 49 GLY N N 108.7780 0.0000 1 459 326 50 SER H H 7.7520 0.0000 1 460 326 50 SER HA H 4.4907 0.0000 1 461 326 50 SER HB2 H 3.8439 0.0000 1 462 326 50 SER C C 173.4350 0.0000 1 463 326 50 SER CA C 57.7261 0.0000 1 464 326 50 SER CB C 63.9108 0.0000 1 465 326 50 SER N N 113.9150 0.0000 1 466 327 51 THR H H 7.9490 0.0000 1 467 327 51 THR HA H 4.3398 0.0000 1 468 327 51 THR HB H 4.0856 0.0000 1 469 327 51 THR HG2 H 1.1702 0.0000 1 470 327 51 THR C C 174.8730 0.0000 1 471 327 51 THR CA C 61.7844 0.0000 1 472 327 51 THR CB C 69.9055 0.0000 1 473 327 51 THR CG2 C 21.6764 0.0000 1 474 327 51 THR N N 113.7450 0.0000 1 475 328 52 MET H H 9.1730 0.0000 1 476 328 52 MET HA H 4.4261 0.0000 1 477 328 52 MET HB2 H 1.8851 0.0000 1 478 328 52 MET HG2 H 2.5340 0.0000 1 479 328 52 MET HE H 1.8938 0.0000 1 480 328 52 MET C C 176.4420 0.0000 1 481 328 52 MET CA C 55.8905 0.0000 1 482 328 52 MET CB C 34.9102 0.0000 1 483 328 52 MET CG C 32.6920 0.0000 1 484 328 52 MET CE C 18.2789 0.0000 1 485 328 52 MET N N 125.8460 0.0000 1 486 329 53 THR H H 7.9570 0.0000 1 487 329 53 THR HA H 4.4207 0.0000 1 488 329 53 THR HB H 4.5536 0.0000 1 489 329 53 THR HG2 H 1.3491 0.0000 1 490 329 53 THR C C 174.8090 0.0000 1 491 329 53 THR CA C 61.5117 0.0000 1 492 329 53 THR CB C 70.0119 0.0000 1 493 329 53 THR CG2 C 22.2733 0.0000 1 494 329 53 THR N N 114.5080 0.0000 1 495 330 54 GLU H H 9.0590 0.0000 1 496 330 54 GLU HA H 4.2210 0.0000 1 497 330 54 GLU N N 121.0530 0.0000 1 498 331 55 PRO HA H 4.3565 0.0000 1 499 331 55 PRO HB2 H 2.3577 0.0000 1 500 331 55 PRO HB3 H 1.8737 0.0000 2 501 331 55 PRO HG2 H 2.1215 0.0000 1 502 331 55 PRO HD2 H 3.8328 0.0000 1 503 331 55 PRO HD3 H 3.8774 0.0000 2 504 331 55 PRO C C 179.8600 0.0000 1 505 331 55 PRO CA C 66.0669 0.0000 1 506 331 55 PRO CB C 32.1890 0.0000 1 507 331 55 PRO CD C 49.8386 0.0000 1 508 332 56 VAL H H 6.9590 0.0000 1 509 332 56 VAL HA H 3.7600 0.0000 1 510 332 56 VAL HB H 2.1715 0.0000 1 511 332 56 VAL HG1 H 1.0964 0.0000 1 512 332 56 VAL HG2 H 1.0400 0.0000 1 513 332 56 VAL C C 178.6740 0.0000 1 514 332 56 VAL CA C 66.2432 0.0000 1 515 332 56 VAL CB C 32.0900 0.0000 1 516 332 56 VAL CG1 C 21.5116 0.0000 1 517 332 56 VAL CG2 C 23.3583 0.0000 1 518 332 56 VAL N N 119.8580 0.0000 1 519 333 57 LYS H H 8.5450 0.0000 1 520 333 57 LYS HA H 4.0714 0.0000 1 521 333 57 LYS HB2 H 1.8680 0.0000 1 522 333 57 LYS C C 178.4660 0.0000 1 523 333 57 LYS CA C 60.3232 0.0000 1 524 333 57 LYS CB C 32.8464 0.0000 1 525 333 57 LYS CG C 25.7210 0.0000 1 526 333 57 LYS CD C 29.5730 0.0000 1 527 333 57 LYS CE C 41.7070 0.0000 1 528 333 57 LYS N N 123.7580 0.0000 1 529 334 58 GLN H H 8.5630 0.0000 1 530 334 58 GLN HA H 3.9989 0.0000 1 531 334 58 GLN HB2 H 2.1297 0.0000 1 532 334 58 GLN HG2 H 2.4855 0.0000 2 533 334 58 GLN C C 179.0760 0.0000 1 534 334 58 GLN CA C 58.8627 0.0000 1 535 334 58 GLN CB C 28.2103 0.0000 1 536 334 58 GLN CG C 33.6383 0.0000 1 537 334 58 GLN N N 116.5730 0.0000 1 538 335 59 SER H H 7.9630 0.0000 1 539 335 59 SER HA H 4.2510 0.0000 1 540 335 59 SER HB2 H 4.0698 0.0000 1 541 335 59 SER C C 176.1210 0.0000 1 542 335 59 SER CA C 61.3499 0.0000 1 543 335 59 SER CB C 62.8504 0.0000 1 544 335 59 SER N N 114.9960 0.0000 1 545 336 60 PHE H H 8.3800 0.0000 1 546 336 60 PHE HA H 3.9763 0.0000 1 547 336 60 PHE HB2 H 3.5850 0.0000 1 548 336 60 PHE HB3 H 3.1077 0.0000 2 549 336 60 PHE HD1 H 6.8990 0.0000 3 550 336 60 PHE HE1 H 7.2631 0.0000 3 551 336 60 PHE C C 178.2970 0.0000 1 552 336 60 PHE CA C 61.8015 0.0000 1 553 336 60 PHE CB C 39.1542 0.0000 1 554 336 60 PHE CD1 C 131.8489 0.0000 3 555 336 60 PHE CE1 C 131.5123 0.0000 3 556 336 60 PHE N N 124.1520 0.0000 1 557 337 61 ILE H H 8.6510 0.0000 1 558 337 61 ILE HA H 3.5390 0.0000 1 559 337 61 ILE HB H 1.9789 0.0000 1 560 337 61 ILE HG2 H 0.9082 0.0000 1 561 337 61 ILE HD1 H 0.8403 0.0000 1 562 337 61 ILE CA C 65.9827 0.0000 1 563 337 61 ILE CB C 38.3379 0.0000 1 564 337 61 ILE CG2 C 16.8812 0.0000 1 565 337 61 ILE CD1 C 13.4745 0.0000 1 566 337 61 ILE N N 121.3160 0.0000 1 567 338 62 ARG H H 8.1580 0.0000 1 568 338 62 ARG HA H 3.9439 0.0000 1 569 338 62 ARG HB2 H 1.8626 0.0000 1 570 338 62 ARG C C 178.3950 0.0000 1 571 338 62 ARG CA C 60.0455 0.0000 1 572 338 62 ARG CB C 30.4682 0.0000 1 573 338 62 ARG CG C 28.1100 0.0000 1 574 338 62 ARG CD C 43.6830 0.0000 1 575 338 62 ARG N N 118.6640 0.0000 1 576 339 63 LYS H H 8.1070 0.0000 1 577 339 63 LYS HA H 3.9862 0.0000 1 578 339 63 LYS HB2 H 1.7908 0.0000 1 579 339 63 LYS C C 178.5270 0.0000 1 580 339 63 LYS CA C 59.7694 0.0000 1 581 339 63 LYS CB C 32.3596 0.0000 1 582 339 63 LYS CG C 25.2620 0.0000 1 583 339 63 LYS CD C 29.3210 0.0000 1 584 339 63 LYS N N 119.2370 0.0000 1 585 340 64 TYR H H 8.1910 0.0000 1 586 340 64 TYR HA H 3.7894 0.0000 1 587 340 64 TYR HB2 H 3.2178 0.0000 1 588 340 64 TYR HB3 H 2.7262 0.0000 2 589 340 64 TYR HD1 H 6.8989 0.0000 3 590 340 64 TYR HD2 H 6.6902 0.0000 3 591 340 64 TYR HE1 H 6.7372 0.0000 3 592 340 64 TYR CA C 61.8728 0.0000 1 593 340 64 TYR CB C 38.9088 0.0000 1 594 340 64 TYR CD1 C 133.0185 0.0000 3 595 340 64 TYR CD2 C 130.8518 0.0000 3 596 340 64 TYR CE1 C 117.8755 0.0000 3 597 340 64 TYR N N 121.7190 0.0000 1 598 341 65 ILE H H 8.4530 0.0000 1 599 341 65 ILE HA H 3.4895 0.0000 1 600 341 65 ILE HB H 1.9473 0.0000 1 601 341 65 ILE HG12 H 1.8165 0.0000 1 602 341 65 ILE HG2 H 0.9085 0.0000 1 603 341 65 ILE HD1 H 0.8545 0.0000 1 604 341 65 ILE C C 177.4940 0.0000 1 605 341 65 ILE CA C 65.8480 0.0000 1 606 341 65 ILE CB C 38.1837 0.0000 1 607 341 65 ILE CG1 C 30.0266 0.0000 1 608 341 65 ILE CG2 C 17.0819 0.0000 1 609 341 65 ILE CD1 C 14.1034 0.0000 1 610 341 65 ILE N N 119.3330 0.0000 1 611 342 66 ASN H H 8.5670 0.0000 1 612 342 66 ASN HA H 4.2511 0.0000 1 613 342 66 ASN HB2 H 2.7907 0.0000 1 614 342 66 ASN C C 177.0010 0.0000 1 615 342 66 ASN CA C 57.4618 0.0000 1 616 342 66 ASN CB C 39.3871 0.0000 1 617 342 66 ASN N N 118.8900 0.0000 1 618 343 67 GLN H H 8.1570 0.0000 1 619 343 67 GLN HA H 3.9742 0.0000 1 620 343 67 GLN HB2 H 2.1343 0.0000 1 621 343 67 GLN C C 178.9130 0.0000 1 622 343 67 GLN CA C 59.1033 0.0000 1 623 343 67 GLN CB C 27.9959 0.0000 1 624 343 67 GLN CG C 34.1170 0.0000 1 625 343 67 GLN N N 117.5830 0.0000 1 626 344 68 LYS H H 7.7270 0.0000 1 627 344 68 LYS HA H 3.9399 0.0000 1 628 344 68 LYS HB2 H 2.0110 0.0000 1 629 344 68 LYS HB3 H 1.7790 0.0000 2 630 344 68 LYS HG2 H 1.2771 0.0000 1 631 344 68 LYS C C 179.8260 0.0000 1 632 344 68 LYS CA C 57.9739 0.0000 1 633 344 68 LYS CB C 31.5302 0.0000 1 634 344 68 LYS CG C 25.1108 0.0000 1 635 344 68 LYS CD C 26.8740 0.0000 1 636 344 68 LYS CE C 38.6980 0.0000 1 637 344 68 LYS N N 119.3420 0.0000 1 638 345 69 ALA H H 8.7160 0.0000 1 639 345 69 ALA HA H 4.0656 0.0000 1 640 345 69 ALA HB H 1.4606 0.0000 1 641 345 69 ALA C C 178.5610 0.0000 1 642 345 69 ALA CA C 55.1959 0.0000 1 643 345 69 ALA CB C 18.5748 0.0000 1 644 345 69 ALA N N 123.8950 0.0000 1 645 346 70 LEU H H 8.3690 0.0000 1 646 346 70 LEU HA H 3.9396 0.0000 1 647 346 70 LEU HB2 H 1.5067 0.0000 1 648 346 70 LEU HB3 H 1.8176 0.0000 2 649 346 70 LEU HD2 H 0.8438 0.0000 1 650 346 70 LEU C C 179.6450 0.0000 1 651 346 70 LEU CA C 58.2285 0.0000 1 652 346 70 LEU CB C 41.5758 0.0000 1 653 346 70 LEU CD1 C 25.1345 0.0000 1 654 346 70 LEU CD2 C 23.9368 0.0000 1 655 346 70 LEU N N 118.5200 0.0000 1 656 347 71 ARG H H 7.7570 0.0000 1 657 347 71 ARG HA H 4.1243 0.0000 1 658 347 71 ARG HB2 H 1.9332 0.0000 1 659 347 71 ARG C C 178.7600 0.0000 1 660 347 71 ARG CA C 58.7531 0.0000 1 661 347 71 ARG CB C 30.1057 0.0000 1 662 347 71 ARG CG C 27.2990 0.0000 1 663 347 71 ARG CD C 43.0940 0.0000 1 664 347 71 ARG N N 118.0000 0.0000 1 665 348 72 LYS H H 7.7710 0.0000 1 666 348 72 LYS HA H 4.1827 0.0000 1 667 348 72 LYS HB2 H 1.8434 0.0000 1 668 348 72 LYS HG2 H 1.2890 0.0000 2 669 348 72 LYS HD2 H 1.7104 0.0000 2 670 348 72 LYS HE2 H 2.8932 0.0000 2 671 348 72 LYS HE3 H 2.9492 0.0000 2 672 348 72 LYS C C 178.1290 0.0000 1 673 348 72 LYS CA C 58.7713 0.0000 1 674 348 72 LYS CB C 31.6657 0.0000 1 675 348 72 LYS CG C 25.1432 0.0000 1 676 348 72 LYS CD C 29.0287 0.0000 1 677 348 72 LYS CE C 42.2869 0.0000 1 678 348 72 LYS N N 121.8650 0.0000 1 679 349 73 ILE H H 8.2080 0.0000 1 680 349 73 ILE HA H 3.6676 0.0000 1 681 349 73 ILE HB H 1.8880 0.0000 1 682 349 73 ILE HG12 H 1.1001 0.0000 2 683 349 73 ILE HG13 H 1.6567 0.0000 1 684 349 73 ILE HG2 H 0.8742 0.0000 1 685 349 73 ILE HD1 H 0.7674 0.0000 1 686 349 73 ILE C C 178.3160 0.0000 1 687 349 73 ILE CA C 64.8079 0.0000 1 688 349 73 ILE CB C 38.2506 0.0000 1 689 349 73 ILE CG1 C 29.4217 0.0000 1 690 349 73 ILE CG2 C 17.0899 0.0000 1 691 349 73 ILE CD1 C 13.5307 0.0000 1 692 349 73 ILE N N 118.7840 0.0000 1 693 350 74 GLN H H 7.9800 0.0000 1 694 350 74 GLN HA H 3.9537 0.0000 1 695 350 74 GLN HB2 H 2.1421 0.0000 1 696 350 74 GLN HG2 H 2.3890 0.0000 1 697 350 74 GLN C C 177.4410 0.0000 1 698 350 74 GLN CA C 58.4294 0.0000 1 699 350 74 GLN CB C 28.4368 0.0000 1 700 350 74 GLN CG C 33.7970 0.0000 1 701 350 74 GLN N N 119.2260 0.0000 1 702 351 75 ALA H H 7.8590 0.0000 1 703 351 75 ALA HA H 4.2252 0.0000 1 704 351 75 ALA HB H 1.5095 0.0000 1 705 351 75 ALA C C 179.7960 0.0000 1 706 351 75 ALA CA C 54.2233 0.0000 1 707 351 75 ALA CB C 18.4632 0.0000 1 708 351 75 ALA N N 121.9920 0.0000 1 709 352 76 LEU H H 7.9530 0.0000 1 710 352 76 LEU HA H 4.1502 0.0000 1 711 352 76 LEU HB2 H 1.8474 0.0000 1 712 352 76 LEU HB3 H 1.5403 0.0000 2 713 352 76 LEU C C 178.6330 0.0000 1 714 352 76 LEU CA C 56.5578 0.0000 1 715 352 76 LEU CB C 41.6934 0.0000 1 716 352 76 LEU CG C 26.9810 0.0000 1 717 352 76 LEU CD1 C 22.7746 0.0000 1 718 352 76 LEU CD2 C 25.2412 0.0000 1 719 352 76 LEU N N 118.6990 0.0000 1 720 353 77 ARG H H 7.7960 0.0000 1 721 353 77 ARG HA H 4.2499 0.0000 1 722 353 77 ARG HB2 H 1.8461 0.0000 1 723 353 77 ARG HD2 H 3.1250 0.0000 1 724 353 77 ARG C C 176.9450 0.0000 1 725 353 77 ARG CA C 57.4452 0.0000 1 726 353 77 ARG CB C 30.5041 0.0000 1 727 353 77 ARG N N 119.4630 0.0000 1 728 354 78 ASP H H 8.0640 0.0000 1 729 354 78 ASP HA H 4.5704 0.0000 1 730 354 78 ASP HB2 H 2.7550 0.0000 1 731 354 78 ASP HB3 H 2.6622 0.0000 2 732 354 78 ASP C C 176.8910 0.0000 1 733 354 78 ASP CA C 55.3153 0.0000 1 734 354 78 ASP CB C 40.9488 0.0000 1 735 354 78 ASP N N 120.1180 0.0000 1 736 355 79 VAL H H 7.7620 0.0000 1 737 355 79 VAL HA H 4.0354 0.0000 1 738 355 79 VAL HB H 2.1435 0.0000 1 739 355 79 VAL HG1 H 0.9478 0.0000 1 740 355 79 VAL HG2 H 0.9954 0.0000 1 741 355 79 VAL C C 176.7380 0.0000 1 742 355 79 VAL CA C 63.3240 0.0000 1 743 355 79 VAL CB C 32.2265 0.0000 1 744 355 79 VAL CG1 C 21.3085 0.0000 1 745 355 79 VAL CG2 C 21.0481 0.0000 1 746 355 79 VAL N N 119.7790 0.0000 1 747 356 80 LYS H H 8.1650 0.0000 1 748 356 80 LYS HA H 4.2647 0.0000 1 749 356 80 LYS HB2 H 1.8112 0.0000 1 750 356 80 LYS HG2 H 1.4486 0.0000 1 751 356 80 LYS HG3 H 1.4138 0.0000 2 752 356 80 LYS HE2 H 3.0070 0.0000 1 753 356 80 LYS C C 176.6520 0.0000 1 754 356 80 LYS CA C 56.7791 0.0000 1 755 356 80 LYS CB C 32.5487 0.0000 1 756 356 80 LYS CG C 24.8614 0.0000 1 757 356 80 LYS CD C 28.8710 0.0000 1 758 356 80 LYS CE C 42.1280 0.0000 1 759 356 80 LYS N N 123.0450 0.0000 1 760 357 81 ASN H H 8.2600 0.0000 1 761 357 81 ASN HA H 4.6808 0.0000 1 762 357 81 ASN HB2 H 2.8041 0.0000 1 763 357 81 ASN C C 175.7490 0.0000 1 764 357 81 ASN CA C 53.3968 0.0000 1 765 357 81 ASN CB C 39.1185 0.0000 1 766 357 81 ASN N N 118.6870 0.0000 1 767 358 82 ASN H H 8.2960 0.0000 1 768 358 82 ASN HA H 4.6819 0.0000 1 769 358 82 ASN HB2 H 2.8041 0.0000 1 770 358 82 ASN C C 175.0890 0.0000 1 771 358 82 ASN CA C 53.4865 0.0000 1 772 358 82 ASN CB C 38.7993 0.0000 1 773 358 82 ASN N N 119.0320 0.0000 1 774 359 83 ASN H H 8.4320 0.0000 1 775 359 83 ASN HA H 4.6825 0.0000 1 776 359 83 ASN HB2 H 2.8373 0.0000 1 777 359 83 ASN C C 175.1030 0.0000 1 778 359 83 ASN CA C 52.9647 0.0000 1 779 359 83 ASN CB C 38.7993 0.0000 1 780 359 83 ASN N N 119.0750 0.0000 1 781 360 84 ASN H H 8.4320 0.0000 1 782 360 84 ASN HA H 4.6821 0.0000 1 783 360 84 ASN HB2 H 2.8337 0.0000 1 784 360 84 ASN C C 175.0830 0.0000 1 785 360 84 ASN CA C 53.5923 0.0000 1 786 360 84 ASN CB C 38.8177 0.0000 1 787 360 84 ASN N N 119.2030 0.0000 1 788 361 85 ALA H H 8.1850 0.0000 1 789 361 85 ALA HA H 4.2607 0.0000 1 790 361 85 ALA HB H 1.3756 0.0000 1 791 361 85 ALA C C 177.5090 0.0000 1 792 361 85 ALA CA C 52.8485 0.0000 1 793 361 85 ALA CB C 19.1733 0.0000 1 794 361 85 ALA N N 123.8630 0.0000 1 795 362 86 ASN H H 8.3190 0.0000 1 796 362 86 ASN HA H 4.6856 0.0000 1 797 362 86 ASN HB2 H 2.8315 0.0000 1 798 362 86 ASN C C 175.0350 0.0000 1 799 362 86 ASN CA C 53.1562 0.0000 1 800 362 86 ASN CB C 38.5125 0.0000 1 801 362 86 ASN N N 116.9720 0.0000 1 802 363 87 ASN H H 8.2940 0.0000 1 803 363 87 ASN HA H 4.6873 0.0000 1 804 363 87 ASN HB2 H 2.8382 0.0000 1 805 363 87 ASN C C 175.0590 0.0000 1 806 363 87 ASN CA C 53.5712 0.0000 1 807 363 87 ASN CB C 38.7108 0.0000 1 808 363 87 ASN N N 119.3040 0.0000 1 809 364 88 ASN H H 8.2940 0.0000 1 810 364 88 ASN HA H 4.6821 0.0000 1 811 364 88 ASN HB2 H 2.8226 0.0000 1 812 364 88 ASN C C 175.7840 0.0000 1 813 364 88 ASN CA C 53.0139 0.0000 1 814 364 88 ASN CB C 38.4133 0.0000 1 815 364 88 ASN N N 119.0210 0.0000 1 816 365 89 GLY H H 8.3860 0.0000 1 817 365 89 GLY HA2 H 3.9437 0.0000 1 818 365 89 GLY HA3 H 3.9912 0.0000 2 819 365 89 GLY C C 174.1950 0.0000 1 820 365 89 GLY CA C 45.5893 0.0000 1 821 365 89 GLY N N 109.2050 0.0000 1 822 366 90 SER H H 8.1560 0.0000 1 823 366 90 SER HA H 4.4671 0.0000 1 824 366 90 SER HB2 H 3.9339 0.0000 1 825 366 90 SER C C 174.0880 0.0000 1 826 366 90 SER CA C 58.4393 0.0000 1 827 366 90 SER CB C 63.9302 0.0000 1 828 366 90 SER N N 115.4300 0.0000 1 829 367 91 ASN H H 8.4790 0.0000 1 830 367 91 ASN HA H 4.7359 0.0000 1 831 367 91 ASN HB2 H 2.8364 0.0000 1 832 367 91 ASN HB3 H 2.7046 0.0000 2 833 367 91 ASN C C 173.9310 0.0000 1 834 367 91 ASN CA C 53.0323 0.0000 1 835 367 91 ASN CB C 38.8638 0.0000 1 836 367 91 ASN N N 120.9870 0.0000 1 837 368 92 LEU H H 7.7950 0.0000 1 838 368 92 LEU HA H 4.1621 0.0000 1 839 368 92 LEU HB2 H 1.5510 0.0000 1 840 368 92 LEU HD1 H 0.8455 0.0000 1 841 368 92 LEU HD2 H 0.8791 0.0000 1 842 368 92 LEU CA C 56.7796 0.0000 1 843 368 92 LEU CB C 43.3202 0.0000 1 844 368 92 LEU CD1 C 23.5257 0.0000 1 845 368 92 LEU CD2 C 25.3889 0.0000 1 846 368 92 LEU N N 127.5500 0.0000 1 stop_ save_