data_4791 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4791 _Entry.Title ; Sequence-specific 1H, 15N and 13C Resonance Assignments for an Engineered Arginine-rich Domain of the Hepatitis C Virus NS3 RNA Helicase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-21 _Entry.Accession_date 2000-07-21 _Entry.Last_release_date 2001-05-03 _Entry.Original_release_date 2001-05-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dingjiang Liu . . . 4791 2 Daniel Wyss . F . 4791 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4791 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 577 4791 '15N chemical shifts' 143 4791 '1H chemical shifts' 942 4791 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-05-03 2000-07-21 original author . 4791 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1JR6 'BMRB Entry Tracking System' 4791 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4791 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21022127 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 15N and 13C Resonance Assignments for an Engineered Arginine-rich Domain of the Hepatitis C Virus NS3 RNA Helicase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 18 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 279 _Citation.Page_last 280 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dingjiang Liu . . . 4791 1 2 Daniel Wyss . F. . 4791 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HCV 4791 1 helicase 4791 1 'NMR assignments' 4791 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_HCV_helicase _Assembly.Sf_category assembly _Assembly.Sf_framecode HCV_helicase _Assembly.Entry_ID 4791 _Assembly.ID 1 _Assembly.Name 'HCV NS3 RNA helicase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4791 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HCV NS3 RNA helicase domain 2' 1 $d2-HCVh . . . native . . . . . 4791 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HCV helicase' abbreviation 4791 1 'HCV NS3 RNA helicase' system 4791 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID NTPase 4791 1 'RNA helicase' 4791 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_d2-HCVh _Entity.Sf_category entity _Entity.Sf_framecode d2-HCVh _Entity.Entry_ID 4791 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HCV helicase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGSVTVPHPNIEEVALS TTGEIPFYGKAIPLEVIKGG RHLIFCHSKKKCDELAAKLV ALGINAVAYYRGLDVSVIPT NGDVVVVATDALMTGFTGDF DSVIDCNTSDGKPQDAVSRT QRRGRTGRGKPGIYRFVAPG ER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The N-terminal GSHM sequence is an artifact of the cloning and is not considered part of the native sequence. Residues 431-451 were replaced with an engineered beta-hairpin of four residues with amino acid sequence SDGK and the corresponding author specific sequence numbers i1, i2, i3, i4. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JR6 . "Solution Structure Of An Engineered Arginine-Rich Subdomain 2 Of The Hepatitis C Virus Ns3 Rna Helicase" . . . . . 100.00 142 100.00 100.00 4.84e-98 . . . . 4791 1 2 no PDB 1ONB . "Solution Structure Of An Engineered Arginine-Rich Subdomain 2 Of The Hepatitis C Virus Ns3 Rna Helicase" . . . . . 100.00 142 100.00 100.00 4.84e-98 . . . . 4791 1 3 no GB AAU44826 . "NS3 [Hepatitis C virus]" . . . . . 52.82 75 97.33 100.00 7.12e-44 . . . . 4791 1 4 no GB AAU44828 . "NS3 [Hepatitis C virus]" . . . . . 52.82 75 97.33 100.00 7.12e-44 . . . . 4791 1 5 no GB AAU44832 . "NS3 [Hepatitis C virus]" . . . . . 52.82 75 97.33 100.00 1.28e-43 . . . . 4791 1 6 no GB AAU44836 . "NS3 [Hepatitis C virus]" . . . . . 52.82 75 97.33 100.00 1.28e-43 . . . . 4791 1 7 no GB AAU44841 . "NS3 [Hepatitis C virus]" . . . . . 52.82 75 97.33 100.00 7.12e-44 . . . . 4791 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID d2-HCVh abbreviation 4791 1 'domain 2 of the HCV RNA helicase' variant 4791 1 'HCV helicase' common 4791 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 n1 GLY . 4791 1 2 n2 SER . 4791 1 3 n3 HIS . 4791 1 4 n4 MET . 4791 1 5 327 GLY . 4791 1 6 328 SER . 4791 1 7 329 VAL . 4791 1 8 330 THR . 4791 1 9 331 VAL . 4791 1 10 332 PRO . 4791 1 11 333 HIS . 4791 1 12 334 PRO . 4791 1 13 335 ASN . 4791 1 14 336 ILE . 4791 1 15 337 GLU . 4791 1 16 338 GLU . 4791 1 17 339 VAL . 4791 1 18 340 ALA . 4791 1 19 341 LEU . 4791 1 20 342 SER . 4791 1 21 343 THR . 4791 1 22 344 THR . 4791 1 23 345 GLY . 4791 1 24 346 GLU . 4791 1 25 347 ILE . 4791 1 26 348 PRO . 4791 1 27 349 PHE . 4791 1 28 350 TYR . 4791 1 29 351 GLY . 4791 1 30 352 LYS . 4791 1 31 353 ALA . 4791 1 32 354 ILE . 4791 1 33 355 PRO . 4791 1 34 356 LEU . 4791 1 35 357 GLU . 4791 1 36 358 VAL . 4791 1 37 359 ILE . 4791 1 38 360 LYS . 4791 1 39 361 GLY . 4791 1 40 362 GLY . 4791 1 41 363 ARG . 4791 1 42 364 HIS . 4791 1 43 365 LEU . 4791 1 44 366 ILE . 4791 1 45 367 PHE . 4791 1 46 368 CYS . 4791 1 47 369 HIS . 4791 1 48 370 SER . 4791 1 49 371 LYS . 4791 1 50 372 LYS . 4791 1 51 373 LYS . 4791 1 52 374 CYS . 4791 1 53 375 ASP . 4791 1 54 376 GLU . 4791 1 55 377 LEU . 4791 1 56 378 ALA . 4791 1 57 379 ALA . 4791 1 58 380 LYS . 4791 1 59 381 LEU . 4791 1 60 382 VAL . 4791 1 61 383 ALA . 4791 1 62 384 LEU . 4791 1 63 385 GLY . 4791 1 64 386 ILE . 4791 1 65 387 ASN . 4791 1 66 388 ALA . 4791 1 67 389 VAL . 4791 1 68 390 ALA . 4791 1 69 391 TYR . 4791 1 70 392 TYR . 4791 1 71 393 ARG . 4791 1 72 394 GLY . 4791 1 73 395 LEU . 4791 1 74 396 ASP . 4791 1 75 397 VAL . 4791 1 76 398 SER . 4791 1 77 399 VAL . 4791 1 78 400 ILE . 4791 1 79 401 PRO . 4791 1 80 402 THR . 4791 1 81 403 ASN . 4791 1 82 404 GLY . 4791 1 83 405 ASP . 4791 1 84 406 VAL . 4791 1 85 407 VAL . 4791 1 86 408 VAL . 4791 1 87 409 VAL . 4791 1 88 410 ALA . 4791 1 89 411 THR . 4791 1 90 412 ASP . 4791 1 91 413 ALA . 4791 1 92 414 LEU . 4791 1 93 415 MET . 4791 1 94 416 THR . 4791 1 95 417 GLY . 4791 1 96 418 PHE . 4791 1 97 419 THR . 4791 1 98 420 GLY . 4791 1 99 421 ASP . 4791 1 100 422 PHE . 4791 1 101 423 ASP . 4791 1 102 424 SER . 4791 1 103 425 VAL . 4791 1 104 426 ILE . 4791 1 105 427 ASP . 4791 1 106 428 CYS . 4791 1 107 429 ASN . 4791 1 108 430 THR . 4791 1 109 i1 SER . 4791 1 110 i2 ASP . 4791 1 111 i3 GLY . 4791 1 112 i4 LYS . 4791 1 113 452 PRO . 4791 1 114 453 GLN . 4791 1 115 454 ASP . 4791 1 116 455 ALA . 4791 1 117 456 VAL . 4791 1 118 457 SER . 4791 1 119 458 ARG . 4791 1 120 459 THR . 4791 1 121 460 GLN . 4791 1 122 461 ARG . 4791 1 123 462 ARG . 4791 1 124 463 GLY . 4791 1 125 464 ARG . 4791 1 126 465 THR . 4791 1 127 466 GLY . 4791 1 128 467 ARG . 4791 1 129 468 GLY . 4791 1 130 469 LYS . 4791 1 131 470 PRO . 4791 1 132 471 GLY . 4791 1 133 472 ILE . 4791 1 134 473 TYR . 4791 1 135 474 ARG . 4791 1 136 475 PHE . 4791 1 137 476 VAL . 4791 1 138 477 ALA . 4791 1 139 478 PRO . 4791 1 140 479 GLY . 4791 1 141 480 GLU . 4791 1 142 481 ARG . 4791 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4791 1 . SER 2 2 4791 1 . HIS 3 3 4791 1 . MET 4 4 4791 1 . GLY 5 5 4791 1 . SER 6 6 4791 1 . VAL 7 7 4791 1 . THR 8 8 4791 1 . VAL 9 9 4791 1 . PRO 10 10 4791 1 . HIS 11 11 4791 1 . PRO 12 12 4791 1 . ASN 13 13 4791 1 . ILE 14 14 4791 1 . GLU 15 15 4791 1 . GLU 16 16 4791 1 . VAL 17 17 4791 1 . ALA 18 18 4791 1 . LEU 19 19 4791 1 . SER 20 20 4791 1 . THR 21 21 4791 1 . THR 22 22 4791 1 . GLY 23 23 4791 1 . GLU 24 24 4791 1 . ILE 25 25 4791 1 . PRO 26 26 4791 1 . PHE 27 27 4791 1 . TYR 28 28 4791 1 . GLY 29 29 4791 1 . LYS 30 30 4791 1 . ALA 31 31 4791 1 . ILE 32 32 4791 1 . PRO 33 33 4791 1 . LEU 34 34 4791 1 . GLU 35 35 4791 1 . VAL 36 36 4791 1 . ILE 37 37 4791 1 . LYS 38 38 4791 1 . GLY 39 39 4791 1 . GLY 40 40 4791 1 . ARG 41 41 4791 1 . HIS 42 42 4791 1 . LEU 43 43 4791 1 . ILE 44 44 4791 1 . PHE 45 45 4791 1 . CYS 46 46 4791 1 . HIS 47 47 4791 1 . SER 48 48 4791 1 . LYS 49 49 4791 1 . LYS 50 50 4791 1 . LYS 51 51 4791 1 . CYS 52 52 4791 1 . ASP 53 53 4791 1 . GLU 54 54 4791 1 . LEU 55 55 4791 1 . ALA 56 56 4791 1 . ALA 57 57 4791 1 . LYS 58 58 4791 1 . LEU 59 59 4791 1 . VAL 60 60 4791 1 . ALA 61 61 4791 1 . LEU 62 62 4791 1 . GLY 63 63 4791 1 . ILE 64 64 4791 1 . ASN 65 65 4791 1 . ALA 66 66 4791 1 . VAL 67 67 4791 1 . ALA 68 68 4791 1 . TYR 69 69 4791 1 . TYR 70 70 4791 1 . ARG 71 71 4791 1 . GLY 72 72 4791 1 . LEU 73 73 4791 1 . ASP 74 74 4791 1 . VAL 75 75 4791 1 . SER 76 76 4791 1 . VAL 77 77 4791 1 . ILE 78 78 4791 1 . PRO 79 79 4791 1 . THR 80 80 4791 1 . ASN 81 81 4791 1 . GLY 82 82 4791 1 . ASP 83 83 4791 1 . VAL 84 84 4791 1 . VAL 85 85 4791 1 . VAL 86 86 4791 1 . VAL 87 87 4791 1 . ALA 88 88 4791 1 . THR 89 89 4791 1 . ASP 90 90 4791 1 . ALA 91 91 4791 1 . LEU 92 92 4791 1 . MET 93 93 4791 1 . THR 94 94 4791 1 . GLY 95 95 4791 1 . PHE 96 96 4791 1 . THR 97 97 4791 1 . GLY 98 98 4791 1 . ASP 99 99 4791 1 . PHE 100 100 4791 1 . ASP 101 101 4791 1 . SER 102 102 4791 1 . VAL 103 103 4791 1 . ILE 104 104 4791 1 . ASP 105 105 4791 1 . CYS 106 106 4791 1 . ASN 107 107 4791 1 . THR 108 108 4791 1 . SER 109 109 4791 1 . ASP 110 110 4791 1 . GLY 111 111 4791 1 . LYS 112 112 4791 1 . PRO 113 113 4791 1 . GLN 114 114 4791 1 . ASP 115 115 4791 1 . ALA 116 116 4791 1 . VAL 117 117 4791 1 . SER 118 118 4791 1 . ARG 119 119 4791 1 . THR 120 120 4791 1 . GLN 121 121 4791 1 . ARG 122 122 4791 1 . ARG 123 123 4791 1 . GLY 124 124 4791 1 . ARG 125 125 4791 1 . THR 126 126 4791 1 . GLY 127 127 4791 1 . ARG 128 128 4791 1 . GLY 129 129 4791 1 . LYS 130 130 4791 1 . PRO 131 131 4791 1 . GLY 132 132 4791 1 . ILE 133 133 4791 1 . TYR 134 134 4791 1 . ARG 135 135 4791 1 . PHE 136 136 4791 1 . VAL 137 137 4791 1 . ALA 138 138 4791 1 . PRO 139 139 4791 1 . GLY 140 140 4791 1 . GLU 141 141 4791 1 . ARG 142 142 4791 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4791 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $d2-HCVh . 11103 . . 'hepatitis C virus hepatitis C virus' 'hepatitis C virus' . . viruses . 'hepatitis C virus' 'hepatitis C virus' 1a . . . . . . . . . . . . . . . . . . . . 4791 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4791 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $d2-HCVh . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-1 _Sample.Sf_category sample _Sample.Sf_framecode sample-1 _Sample.Entry_ID 4791 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV helicase' '[U-15N; U-13C]' . . 1 $d2-HCVh . . . 0.2 1.0 mM . . . . 4791 1 2 KPO4 . . . . . . . 75 . . mM . . . . 4791 1 3 DTT [U-2H] . . . . . . 5 . . mM . . . . 4791 1 4 D2O . . . . . . . 99 . . % . . . . 4791 1 5 AEBSF . . . . . . . 0.4 . . mM . . . . 4791 1 6 NaN3 . . . . . . . 0.015 . . % . . . . 4791 1 stop_ save_ save_sample-2 _Sample.Sf_category sample _Sample.Sf_framecode sample-2 _Sample.Entry_ID 4791 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV helicase' '[U-15N; U-13C]' . . 1 $d2-HCVh . . . 0.2 1.0 mM . . . . 4791 2 2 KPO4 . . . . . . . 75 . . mM . . . . 4791 2 3 DTT [U-2H] . . . . . . 5 . . mM . . . . 4791 2 4 D2O . . . . . . . 5 . . % . . . . 4791 2 5 AEBSF . . . . . . . 0.4 . . mM . . . . 4791 2 6 NaN3 . . . . . . . 0.015 . . % . . . . 4791 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 4791 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 n/a 4791 1 temperature 298 1 K 4791 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4791 _Software.ID 1 _Software.Name FELIX _Software.Version 98.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4791 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4791 _Software.ID 2 _Software.Name NMRView _Software.Version 4.0.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4791 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4791 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4791 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4791 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 500 . . . 4791 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 4791 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4791 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 5 (H)CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 7 '15N-edited TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4791 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4791 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4791 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4791 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4791 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4791 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name (H)CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4791 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4791 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N-edited TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4791 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS . . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 4791 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct . . . . . . . . . . 4791 1 N 15 DSS . . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 4791 1 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_shiftset_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shiftset_1 _Assigned_chem_shift_list.Entry_ID 4791 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample-1 . 4791 1 . . 2 $sample-2 . 4791 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 GLY N N 15 110.358 . . 1 . . . . . . . . 4791 1 2 . 1 1 5 5 GLY H H 1 8.419 . . 1 . . . . . . . . 4791 1 3 . 1 1 5 5 GLY CA C 13 45.12 . . 1 . . . . . . . . 4791 1 4 . 1 1 5 5 GLY HA2 H 1 3.97 . . 1 . . . . . . . . 4791 1 5 . 1 1 5 5 GLY HA3 H 1 3.97 . . 1 . . . . . . . . 4791 1 6 . 1 1 5 5 GLY C C 13 173.967 . . 1 . . . . . . . . 4791 1 7 . 1 1 6 6 SER N N 15 115.825 . . 1 . . . . . . . . 4791 1 8 . 1 1 6 6 SER H H 1 8.205 . . 1 . . . . . . . . 4791 1 9 . 1 1 6 6 SER CA C 13 57.75 . . 1 . . . . . . . . 4791 1 10 . 1 1 6 6 SER HA H 1 4.44 . . 1 . . . . . . . . 4791 1 11 . 1 1 6 6 SER CB C 13 63.3 . . 1 . . . . . . . . 4791 1 12 . 1 1 6 6 SER HB2 H 1 3.8 . . 1 . . . . . . . . 4791 1 13 . 1 1 6 6 SER HB3 H 1 3.8 . . 1 . . . . . . . . 4791 1 14 . 1 1 6 6 SER C C 13 174.506 . . 1 . . . . . . . . 4791 1 15 . 1 1 7 7 VAL N N 15 121.565 . . 1 . . . . . . . . 4791 1 16 . 1 1 7 7 VAL H H 1 8.166 . . 1 . . . . . . . . 4791 1 17 . 1 1 7 7 VAL CA C 13 61.66 . . 1 . . . . . . . . 4791 1 18 . 1 1 7 7 VAL HA H 1 4.17 . . 1 . . . . . . . . 4791 1 19 . 1 1 7 7 VAL CB C 13 32.35 . . 1 . . . . . . . . 4791 1 20 . 1 1 7 7 VAL HB H 1 2.05 . . 1 . . . . . . . . 4791 1 21 . 1 1 7 7 VAL CG2 C 13 19.83 . . 2 . . . . . . . . 4791 1 22 . 1 1 7 7 VAL HG21 H 1 0.88 . . 4 . . . . . . . . 4791 1 23 . 1 1 7 7 VAL HG22 H 1 0.88 . . 4 . . . . . . . . 4791 1 24 . 1 1 7 7 VAL HG23 H 1 0.88 . . 4 . . . . . . . . 4791 1 25 . 1 1 7 7 VAL CG1 C 13 20.9 . . 2 . . . . . . . . 4791 1 26 . 1 1 7 7 VAL HG11 H 1 0.86 . . 4 . . . . . . . . 4791 1 27 . 1 1 7 7 VAL HG12 H 1 0.86 . . 4 . . . . . . . . 4791 1 28 . 1 1 7 7 VAL HG13 H 1 0.86 . . 4 . . . . . . . . 4791 1 29 . 1 1 7 7 VAL C C 13 176.202 . . 1 . . . . . . . . 4791 1 30 . 1 1 8 8 THR N N 15 118.734 . . 1 . . . . . . . . 4791 1 31 . 1 1 8 8 THR H H 1 8.231 . . 1 . . . . . . . . 4791 1 32 . 1 1 8 8 THR CA C 13 61.3 . . 1 . . . . . . . . 4791 1 33 . 1 1 8 8 THR HA H 1 4.32 . . 1 . . . . . . . . 4791 1 34 . 1 1 8 8 THR CB C 13 68.6 . . 1 . . . . . . . . 4791 1 35 . 1 1 8 8 THR HB H 1 4.07 . . 1 . . . . . . . . 4791 1 36 . 1 1 8 8 THR CG2 C 13 21.13 . . 1 . . . . . . . . 4791 1 37 . 1 1 8 8 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4791 1 38 . 1 1 8 8 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4791 1 39 . 1 1 8 8 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4791 1 40 . 1 1 8 8 THR C C 13 174.044 . . 1 . . . . . . . . 4791 1 41 . 1 1 9 9 VAL N N 15 124.467 . . 1 . . . . . . . . 4791 1 42 . 1 1 9 9 VAL H H 1 8.185 . . 1 . . . . . . . . 4791 1 43 . 1 1 9 9 VAL CA C 13 59.07 . . 1 . . . . . . . . 4791 1 44 . 1 1 9 9 VAL HA H 1 4.38 . . 1 . . . . . . . . 4791 1 45 . 1 1 9 9 VAL CB C 13 32.11 . . 1 . . . . . . . . 4791 1 46 . 1 1 9 9 VAL HB H 1 2 . . 1 . . . . . . . . 4791 1 47 . 1 1 9 9 VAL CG2 C 13 20.1 . . 1 . . . . . . . . 4791 1 48 . 1 1 9 9 VAL HG21 H 1 0.9 . . 4 . . . . . . . . 4791 1 49 . 1 1 9 9 VAL HG22 H 1 0.9 . . 4 . . . . . . . . 4791 1 50 . 1 1 9 9 VAL HG23 H 1 0.9 . . 4 . . . . . . . . 4791 1 51 . 1 1 9 9 VAL CG1 C 13 20.1 . . 1 . . . . . . . . 4791 1 52 . 1 1 9 9 VAL HG11 H 1 0.9 . . 4 . . . . . . . . 4791 1 53 . 1 1 9 9 VAL HG12 H 1 0.9 . . 4 . . . . . . . . 4791 1 54 . 1 1 9 9 VAL HG13 H 1 0.9 . . 4 . . . . . . . . 4791 1 55 . 1 1 10 10 PRO CA C 13 62.91 . . 1 . . . . . . . . 4791 1 56 . 1 1 10 10 PRO HA H 1 4.34 . . 1 . . . . . . . . 4791 1 57 . 1 1 10 10 PRO CB C 13 31.69 . . 1 . . . . . . . . 4791 1 58 . 1 1 10 10 PRO HB2 H 1 1.75 . . 2 . . . . . . . . 4791 1 59 . 1 1 10 10 PRO HB3 H 1 2.2 . . 2 . . . . . . . . 4791 1 60 . 1 1 10 10 PRO CG C 13 27 . . 1 . . . . . . . . 4791 1 61 . 1 1 10 10 PRO HG2 H 1 1.93 . . 1 . . . . . . . . 4791 1 62 . 1 1 10 10 PRO HG3 H 1 1.93 . . 1 . . . . . . . . 4791 1 63 . 1 1 10 10 PRO CD C 13 50.2 . . 1 . . . . . . . . 4791 1 64 . 1 1 10 10 PRO HD2 H 1 3.8 . . 2 . . . . . . . . 4791 1 65 . 1 1 10 10 PRO HD3 H 1 3.64 . . 2 . . . . . . . . 4791 1 66 . 1 1 10 10 PRO C C 13 176.15 . . 1 . . . . . . . . 4791 1 67 . 1 1 11 11 HIS N N 15 120.9 . . 1 . . . . . . . . 4791 1 68 . 1 1 11 11 HIS H H 1 8.62 . . 1 . . . . . . . . 4791 1 69 . 1 1 11 11 HIS CA C 13 52.78 . . 1 . . . . . . . . 4791 1 70 . 1 1 11 11 HIS HA H 1 4.89 . . 1 . . . . . . . . 4791 1 71 . 1 1 11 11 HIS CB C 13 29.53 . . 1 . . . . . . . . 4791 1 72 . 1 1 11 11 HIS HB2 H 1 3.14 . . 2 . . . . . . . . 4791 1 73 . 1 1 11 11 HIS HB3 H 1 3.06 . . 2 . . . . . . . . 4791 1 74 . 1 1 11 11 HIS CD2 C 13 119.3 . . 5 . . . . . . . . 4791 1 75 . 1 1 11 11 HIS HD2 H 1 7.14 . . 5 . . . . . . . . 4791 1 76 . 1 1 11 11 HIS CE1 C 13 136.64 . . 5 . . . . . . . . 4791 1 77 . 1 1 11 11 HIS HE1 H 1 8.216 . . 5 . . . . . . . . 4791 1 78 . 1 1 12 12 PRO CA C 13 62.91 . . 1 . . . . . . . . 4791 1 79 . 1 1 12 12 PRO HA H 1 4.35 . . 1 . . . . . . . . 4791 1 80 . 1 1 12 12 PRO CB C 13 31.58 . . 1 . . . . . . . . 4791 1 81 . 1 1 12 12 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4791 1 82 . 1 1 12 12 PRO HB3 H 1 1.81 . . 2 . . . . . . . . 4791 1 83 . 1 1 12 12 PRO CG C 13 27.5 . . 1 . . . . . . . . 4791 1 84 . 1 1 12 12 PRO HG2 H 1 2.05 . . 2 . . . . . . . . 4791 1 85 . 1 1 12 12 PRO HG3 H 1 1.94 . . 2 . . . . . . . . 4791 1 86 . 1 1 12 12 PRO CD C 13 50.21 . . 1 . . . . . . . . 4791 1 87 . 1 1 12 12 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 4791 1 88 . 1 1 12 12 PRO HD3 H 1 3.41 . . 2 . . . . . . . . 4791 1 89 . 1 1 12 12 PRO C C 13 176.49 . . 1 . . . . . . . . 4791 1 90 . 1 1 13 13 ASN N N 15 120.138 . . 1 . . . . . . . . 4791 1 91 . 1 1 13 13 ASN H H 1 9.006 . . 1 . . . . . . . . 4791 1 92 . 1 1 13 13 ASN CA C 13 52.84 . . 1 . . . . . . . . 4791 1 93 . 1 1 13 13 ASN HA H 1 4.74 . . 1 . . . . . . . . 4791 1 94 . 1 1 13 13 ASN CB C 13 39.01 . . 1 . . . . . . . . 4791 1 95 . 1 1 13 13 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 4791 1 96 . 1 1 13 13 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 4791 1 97 . 1 1 13 13 ASN ND2 N 15 112.68 . . 1 . . . . . . . . 4791 1 98 . 1 1 13 13 ASN HD21 H 1 6.88 . . 2 . . . . . . . . 4791 1 99 . 1 1 13 13 ASN HD22 H 1 7.54 . . 2 . . . . . . . . 4791 1 100 . 1 1 13 13 ASN C C 13 174.044 . . 1 . . . . . . . . 4791 1 101 . 1 1 14 14 ILE N N 15 119.436 . . 1 . . . . . . . . 4791 1 102 . 1 1 14 14 ILE H H 1 7.801 . . 1 . . . . . . . . 4791 1 103 . 1 1 14 14 ILE CA C 13 59.89 . . 1 . . . . . . . . 4791 1 104 . 1 1 14 14 ILE HA H 1 4.46 . . 1 . . . . . . . . 4791 1 105 . 1 1 14 14 ILE CB C 13 41.06 . . 1 . . . . . . . . 4791 1 106 . 1 1 14 14 ILE HB H 1 1.6 . . 1 . . . . . . . . 4791 1 107 . 1 1 14 14 ILE CG1 C 13 27.81 . . 2 . . . . . . . . 4791 1 108 . 1 1 14 14 ILE HG12 H 1 1.48 . . 1 . . . . . . . . 4791 1 109 . 1 1 14 14 ILE HG13 H 1 0.71 . . 1 . . . . . . . . 4791 1 110 . 1 1 14 14 ILE CD1 C 13 13.9 . . 1 . . . . . . . . 4791 1 111 . 1 1 14 14 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 4791 1 112 . 1 1 14 14 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 4791 1 113 . 1 1 14 14 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 4791 1 114 . 1 1 14 14 ILE CG2 C 13 17.69 . . 2 . . . . . . . . 4791 1 115 . 1 1 14 14 ILE HG21 H 1 0.69 . . 4 . . . . . . . . 4791 1 116 . 1 1 14 14 ILE HG22 H 1 0.69 . . 4 . . . . . . . . 4791 1 117 . 1 1 14 14 ILE HG23 H 1 0.69 . . 4 . . . . . . . . 4791 1 118 . 1 1 14 14 ILE C C 13 175.097 . . 1 . . . . . . . . 4791 1 119 . 1 1 15 15 GLU N N 15 128.923 . . 1 . . . . . . . . 4791 1 120 . 1 1 15 15 GLU H H 1 8.171 . . 1 . . . . . . . . 4791 1 121 . 1 1 15 15 GLU CA C 13 54.71 . . 1 . . . . . . . . 4791 1 122 . 1 1 15 15 GLU HA H 1 4.55 . . 1 . . . . . . . . 4791 1 123 . 1 1 15 15 GLU CB C 13 30.94 . . 1 . . . . . . . . 4791 1 124 . 1 1 15 15 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 4791 1 125 . 1 1 15 15 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 4791 1 126 . 1 1 15 15 GLU CG C 13 35.35 . . 1 . . . . . . . . 4791 1 127 . 1 1 15 15 GLU HG2 H 1 2.29 . . 2 . . . . . . . . 4791 1 128 . 1 1 15 15 GLU HG3 H 1 2.17 . . 2 . . . . . . . . 4791 1 129 . 1 1 15 15 GLU C C 13 174.79 . . 1 . . . . . . . . 4791 1 130 . 1 1 16 16 GLU N N 15 126.22 . . 1 . . . . . . . . 4791 1 131 . 1 1 16 16 GLU H H 1 8.91 . . 1 . . . . . . . . 4791 1 132 . 1 1 16 16 GLU CA C 13 54.71 . . 1 . . . . . . . . 4791 1 133 . 1 1 16 16 GLU HA H 1 5.9 . . 1 . . . . . . . . 4791 1 134 . 1 1 16 16 GLU CB C 13 30.11 . . 1 . . . . . . . . 4791 1 135 . 1 1 16 16 GLU HB2 H 1 2.31 . . 2 . . . . . . . . 4791 1 136 . 1 1 16 16 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 4791 1 137 . 1 1 16 16 GLU CG C 13 36.64 . . 1 . . . . . . . . 4791 1 138 . 1 1 16 16 GLU HG2 H 1 2.52 . . 2 . . . . . . . . 4791 1 139 . 1 1 16 16 GLU HG3 H 1 2.22 . . 2 . . . . . . . . 4791 1 140 . 1 1 16 16 GLU C C 13 176.59 . . 1 . . . . . . . . 4791 1 141 . 1 1 17 17 VAL N N 15 125.842 . . 1 . . . . . . . . 4791 1 142 . 1 1 17 17 VAL H H 1 9.414 . . 1 . . . . . . . . 4791 1 143 . 1 1 17 17 VAL CA C 13 60.01 . . 1 . . . . . . . . 4791 1 144 . 1 1 17 17 VAL HA H 1 4.35 . . 1 . . . . . . . . 4791 1 145 . 1 1 17 17 VAL CB C 13 34.82 . . 1 . . . . . . . . 4791 1 146 . 1 1 17 17 VAL HB H 1 1.81 . . 1 . . . . . . . . 4791 1 147 . 1 1 17 17 VAL CG2 C 13 20.27 . . 2 . . . . . . . . 4791 1 148 . 1 1 17 17 VAL HG21 H 1 0.87 . . 4 . . . . . . . . 4791 1 149 . 1 1 17 17 VAL HG22 H 1 0.87 . . 4 . . . . . . . . 4791 1 150 . 1 1 17 17 VAL HG23 H 1 0.87 . . 4 . . . . . . . . 4791 1 151 . 1 1 17 17 VAL CG1 C 13 26.01 . . 2 . . . . . . . . 4791 1 152 . 1 1 17 17 VAL HG11 H 1 0.81 . . 4 . . . . . . . . 4791 1 153 . 1 1 17 17 VAL HG12 H 1 0.81 . . 4 . . . . . . . . 4791 1 154 . 1 1 17 17 VAL HG13 H 1 0.81 . . 4 . . . . . . . . 4791 1 155 . 1 1 17 17 VAL C C 13 173.76 . . 1 . . . . . . . . 4791 1 156 . 1 1 18 18 ALA N N 15 131.727 . . 1 . . . . . . . . 4791 1 157 . 1 1 18 18 ALA H H 1 8.462 . . 1 . . . . . . . . 4791 1 158 . 1 1 18 18 ALA CA C 13 51.18 . . 1 . . . . . . . . 4791 1 159 . 1 1 18 18 ALA HA H 1 2.67 . . 1 . . . . . . . . 4791 1 160 . 1 1 18 18 ALA CB C 13 18.22 . . 1 . . . . . . . . 4791 1 161 . 1 1 18 18 ALA HB1 H 1 1.07 . . 1 . . . . . . . . 4791 1 162 . 1 1 18 18 ALA HB2 H 1 1.07 . . 1 . . . . . . . . 4791 1 163 . 1 1 18 18 ALA HB3 H 1 1.07 . . 1 . . . . . . . . 4791 1 164 . 1 1 18 18 ALA C C 13 175.925 . . 9 . . . . . . . . 4791 1 165 . 1 1 19 19 LEU N N 15 122.361 . . 1 . . . . . . . . 4791 1 166 . 1 1 19 19 LEU H H 1 8.217 . . 1 . . . . . . . . 4791 1 167 . 1 1 19 19 LEU CA C 13 54.84 . . 1 . . . . . . . . 4791 1 168 . 1 1 19 19 LEU HA H 1 4.25 . . 1 . . . . . . . . 4791 1 169 . 1 1 19 19 LEU CB C 13 42.71 . . 1 . . . . . . . . 4791 1 170 . 1 1 19 19 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4791 1 171 . 1 1 19 19 LEU HB3 H 1 1.51 . . 2 . . . . . . . . 4791 1 172 . 1 1 19 19 LEU CG C 13 26.19 . . 1 . . . . . . . . 4791 1 173 . 1 1 19 19 LEU HG H 1 1.42 . . 1 . . . . . . . . 4791 1 174 . 1 1 19 19 LEU CD1 C 13 26.63 . . 2 . . . . . . . . 4791 1 175 . 1 1 19 19 LEU HD11 H 1 0.69 . . 4 . . . . . . . . 4791 1 176 . 1 1 19 19 LEU HD12 H 1 0.69 . . 4 . . . . . . . . 4791 1 177 . 1 1 19 19 LEU HD13 H 1 0.69 . . 4 . . . . . . . . 4791 1 178 . 1 1 19 19 LEU CD2 C 13 22.35 . . 2 . . . . . . . . 4791 1 179 . 1 1 19 19 LEU HD21 H 1 0.9 . . 4 . . . . . . . . 4791 1 180 . 1 1 19 19 LEU HD22 H 1 0.9 . . 4 . . . . . . . . 4791 1 181 . 1 1 19 19 LEU HD23 H 1 0.9 . . 4 . . . . . . . . 4791 1 182 . 1 1 19 19 LEU C C 13 176.82 . . 1 . . . . . . . . 4791 1 183 . 1 1 20 20 SER N N 15 119.717 . . 1 . . . . . . . . 4791 1 184 . 1 1 20 20 SER H H 1 9.078 . . 1 . . . . . . . . 4791 1 185 . 1 1 20 20 SER CA C 13 55.19 . . 1 . . . . . . . . 4791 1 186 . 1 1 20 20 SER HA H 1 4.97 . . 1 . . . . . . . . 4791 1 187 . 1 1 20 20 SER CB C 13 64.96 . . 1 . . . . . . . . 4791 1 188 . 1 1 20 20 SER HB2 H 1 3.93 . . 2 . . . . . . . . 4791 1 189 . 1 1 20 20 SER HB3 H 1 4.29 . . 2 . . . . . . . . 4791 1 190 . 1 1 20 20 SER C C 13 173.581 . . 1 . . . . . . . . 4791 1 191 . 1 1 21 21 THR N N 15 105.889 . . 1 . . . . . . . . 4791 1 192 . 1 1 21 21 THR H H 1 8.005 . . 1 . . . . . . . . 4791 1 193 . 1 1 21 21 THR CA C 13 61.66 . . 1 . . . . . . . . 4791 1 194 . 1 1 21 21 THR HA H 1 4.1 . . 1 . . . . . . . . 4791 1 195 . 1 1 21 21 THR CB C 13 67.56 . . 1 . . . . . . . . 4791 1 196 . 1 1 21 21 THR HB H 1 4.55 . . 1 . . . . . . . . 4791 1 197 . 1 1 21 21 THR CG2 C 13 21.68 . . 1 . . . . . . . . 4791 1 198 . 1 1 21 21 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4791 1 199 . 1 1 21 21 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4791 1 200 . 1 1 21 21 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4791 1 201 . 1 1 21 21 THR C C 13 174.404 . . 1 . . . . . . . . 4791 1 202 . 1 1 22 22 THR N N 15 118.924 . . 1 . . . . . . . . 4791 1 203 . 1 1 22 22 THR H H 1 8.124 . . 1 . . . . . . . . 4791 1 204 . 1 1 22 22 THR CA C 13 61.54 . . 1 . . . . . . . . 4791 1 205 . 1 1 22 22 THR HA H 1 4.25 . . 1 . . . . . . . . 4791 1 206 . 1 1 22 22 THR CB C 13 67.6 . . 1 . . . . . . . . 4791 1 207 . 1 1 22 22 THR HB H 1 3.91 . . 1 . . . . . . . . 4791 1 208 . 1 1 22 22 THR CG2 C 13 20.92 . . 1 . . . . . . . . 4791 1 209 . 1 1 22 22 THR HG21 H 1 1.1 . . 1 . . . . . . . . 4791 1 210 . 1 1 22 22 THR HG22 H 1 1.1 . . 1 . . . . . . . . 4791 1 211 . 1 1 22 22 THR HG23 H 1 1.1 . . 1 . . . . . . . . 4791 1 212 . 1 1 22 22 THR C C 13 172.631 . . 1 . . . . . . . . 4791 1 213 . 1 1 23 23 GLY N N 15 112.922 . . 1 . . . . . . . . 4791 1 214 . 1 1 23 23 GLY H H 1 7.99 . . 1 . . . . . . . . 4791 1 215 . 1 1 23 23 GLY CA C 13 43.41 . . 1 . . . . . . . . 4791 1 216 . 1 1 23 23 GLY HA2 H 1 3.65 . . 1 . . . . . . . . 4791 1 217 . 1 1 23 23 GLY HA3 H 1 3.65 . . 1 . . . . . . . . 4791 1 218 . 1 1 23 23 GLY C C 13 172.25 . . 1 . . . . . . . . 4791 1 219 . 1 1 24 24 GLU N N 15 120.237 . . 1 . . . . . . . . 4791 1 220 . 1 1 24 24 GLU H H 1 8.965 . . 1 . . . . . . . . 4791 1 221 . 1 1 24 24 GLU CA C 13 59.66 . . 1 . . . . . . . . 4791 1 222 . 1 1 24 24 GLU HA H 1 4.06 . . 1 . . . . . . . . 4791 1 223 . 1 1 24 24 GLU CB C 13 29.88 . . 1 . . . . . . . . 4791 1 224 . 1 1 24 24 GLU HB2 H 1 2 . . 2 . . . . . . . . 4791 1 225 . 1 1 24 24 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 4791 1 226 . 1 1 24 24 GLU CG C 13 37.28 . . 1 . . . . . . . . 4791 1 227 . 1 1 24 24 GLU HG2 H 1 2.31 . . 2 . . . . . . . . 4791 1 228 . 1 1 24 24 GLU HG3 H 1 2.56 . . 2 . . . . . . . . 4791 1 229 . 1 1 24 24 GLU C C 13 176.716 . . 1 . . . . . . . . 4791 1 230 . 1 1 25 25 ILE N N 15 118.166 . . 1 . . . . . . . . 4791 1 231 . 1 1 25 25 ILE H H 1 7.701 . . 1 . . . . . . . . 4791 1 232 . 1 1 25 25 ILE CA C 13 56.13 . . 1 . . . . . . . . 4791 1 233 . 1 1 25 25 ILE HA H 1 4.48 . . 1 . . . . . . . . 4791 1 234 . 1 1 25 25 ILE CB C 13 38.24 . . 1 . . . . . . . . 4791 1 235 . 1 1 25 25 ILE HB H 1 2.09 . . 1 . . . . . . . . 4791 1 236 . 1 1 25 25 ILE HG13 H 1 1.06 . . 9 . . . . . . . . 4791 1 237 . 1 1 25 25 ILE CD1 C 13 12.38 . . 1 . . . . . . . . 4791 1 238 . 1 1 25 25 ILE HD11 H 1 0.58 . . 1 . . . . . . . . 4791 1 239 . 1 1 25 25 ILE HD12 H 1 0.58 . . 1 . . . . . . . . 4791 1 240 . 1 1 25 25 ILE HD13 H 1 0.58 . . 1 . . . . . . . . 4791 1 241 . 1 1 25 25 ILE CG2 C 13 17.36 . . 2 . . . . . . . . 4791 1 242 . 1 1 25 25 ILE HG21 H 1 0.71 . . 4 . . . . . . . . 4791 1 243 . 1 1 25 25 ILE HG22 H 1 0.71 . . 4 . . . . . . . . 4791 1 244 . 1 1 25 25 ILE HG23 H 1 0.71 . . 4 . . . . . . . . 4791 1 245 . 1 1 26 26 PRO CA C 13 62.91 . . 1 . . . . . . . . 4791 1 246 . 1 1 26 26 PRO HA H 1 4.38 . . 1 . . . . . . . . 4791 1 247 . 1 1 26 26 PRO CB C 13 31.69 . . 1 . . . . . . . . 4791 1 248 . 1 1 26 26 PRO HB2 H 1 1.884 . . 2 . . . . . . . . 4791 1 249 . 1 1 26 26 PRO HB3 H 1 2.27 . . 2 . . . . . . . . 4791 1 250 . 1 1 26 26 PRO CG C 13 26.95 . . 1 . . . . . . . . 4791 1 251 . 1 1 26 26 PRO HG2 H 1 2.7 . . 1 . . . . . . . . 4791 1 252 . 1 1 26 26 PRO HG3 H 1 2.7 . . 1 . . . . . . . . 4791 1 253 . 1 1 26 26 PRO CD C 13 51.021 . . 1 . . . . . . . . 4791 1 254 . 1 1 26 26 PRO HD2 H 1 4.09 . . 2 . . . . . . . . 4791 1 255 . 1 1 26 26 PRO HD3 H 1 3.6 . . 2 . . . . . . . . 4791 1 256 . 1 1 26 26 PRO C C 13 176.844 . . 1 . . . . . . . . 4791 1 257 . 1 1 27 27 PHE N N 15 124.868 . . 1 . . . . . . . . 4791 1 258 . 1 1 27 27 PHE H H 1 8.486 . . 1 . . . . . . . . 4791 1 259 . 1 1 27 27 PHE CA C 13 58.24 . . 1 . . . . . . . . 4791 1 260 . 1 1 27 27 PHE HA H 1 4.46 . . 1 . . . . . . . . 4791 1 261 . 1 1 27 27 PHE CB C 13 41.05 . . 1 . . . . . . . . 4791 1 262 . 1 1 27 27 PHE HB2 H 1 2.54 . . 2 . . . . . . . . 4791 1 263 . 1 1 27 27 PHE HB3 H 1 2.59 . . 2 . . . . . . . . 4791 1 264 . 1 1 27 27 PHE CD1 C 13 130.2 . . 1 . . . . . . . . 4791 1 265 . 1 1 27 27 PHE HD1 H 1 7 . . 1 . . . . . . . . 4791 1 266 . 1 1 27 27 PHE HE1 H 1 7.15 . . 1 . . . . . . . . 4791 1 267 . 1 1 27 27 PHE CZ C 13 131.69 . . 1 . . . . . . . . 4791 1 268 . 1 1 27 27 PHE HZ H 1 7.52 . . 1 . . . . . . . . 4791 1 269 . 1 1 27 27 PHE HE2 H 1 7.15 . . 1 . . . . . . . . 4791 1 270 . 1 1 27 27 PHE CD2 C 13 130.2 . . 1 . . . . . . . . 4791 1 271 . 1 1 27 27 PHE HD2 H 1 7 . . 1 . . . . . . . . 4791 1 272 . 1 1 27 27 PHE C C 13 172.86 . . 1 . . . . . . . . 4791 1 273 . 1 1 28 28 TYR N N 15 123.518 . . 1 . . . . . . . . 4791 1 274 . 1 1 28 28 TYR H H 1 8.357 . . 1 . . . . . . . . 4791 1 275 . 1 1 28 28 TYR CA C 13 59.6 . . 1 . . . . . . . . 4791 1 276 . 1 1 28 28 TYR HA H 1 3.56 . . 1 . . . . . . . . 4791 1 277 . 1 1 28 28 TYR CB C 13 35.56 . . 1 . . . . . . . . 4791 1 278 . 1 1 28 28 TYR HB2 H 1 2.29 . . 2 . . . . . . . . 4791 1 279 . 1 1 28 28 TYR HB3 H 1 3 . . 2 . . . . . . . . 4791 1 280 . 1 1 28 28 TYR CD1 C 13 132.7 . . 1 . . . . . . . . 4791 1 281 . 1 1 28 28 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 4791 1 282 . 1 1 28 28 TYR CE1 C 13 117.88 . . 1 . . . . . . . . 4791 1 283 . 1 1 28 28 TYR HE1 H 1 6.6 . . 1 . . . . . . . . 4791 1 284 . 1 1 28 28 TYR CE2 C 13 117.88 . . 1 . . . . . . . . 4791 1 285 . 1 1 28 28 TYR HE2 H 1 6.6 . . 1 . . . . . . . . 4791 1 286 . 1 1 28 28 TYR CD2 C 13 132.7 . . 1 . . . . . . . . 4791 1 287 . 1 1 28 28 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 4791 1 288 . 1 1 28 28 TYR C C 13 174.917 . . 1 . . . . . . . . 4791 1 289 . 1 1 29 29 GLY N N 15 104.747 . . 1 . . . . . . . . 4791 1 290 . 1 1 29 29 GLY H H 1 8.21 . . 1 . . . . . . . . 4791 1 291 . 1 1 29 29 GLY CA C 13 44.71 . . 1 . . . . . . . . 4791 1 292 . 1 1 29 29 GLY HA2 H 1 4.25 . . 2 . . . . . . . . 4791 1 293 . 1 1 29 29 GLY HA3 H 1 3.55 . . 2 . . . . . . . . 4791 1 294 . 1 1 29 29 GLY C C 13 174.352 . . 1 . . . . . . . . 4791 1 295 . 1 1 30 30 LYS N N 15 121.452 . . 1 . . . . . . . . 4791 1 296 . 1 1 30 30 LYS H H 1 8.007 . . 1 . . . . . . . . 4791 1 297 . 1 1 30 30 LYS CA C 13 52.13 . . 1 . . . . . . . . 4791 1 298 . 1 1 30 30 LYS HA H 1 4.42 . . 1 . . . . . . . . 4791 1 299 . 1 1 30 30 LYS CB C 13 32.11 . . 1 . . . . . . . . 4791 1 300 . 1 1 30 30 LYS HB2 H 1 2.11 . . 2 . . . . . . . . 4791 1 301 . 1 1 30 30 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 4791 1 302 . 1 1 30 30 LYS CG C 13 25.12 . . 1 . . . . . . . . 4791 1 303 . 1 1 30 30 LYS HG2 H 1 1.5 . . 2 . . . . . . . . 4791 1 304 . 1 1 30 30 LYS HG3 H 1 1.4 . . 2 . . . . . . . . 4791 1 305 . 1 1 30 30 LYS CD C 13 27.16 . . 1 . . . . . . . . 4791 1 306 . 1 1 30 30 LYS HD2 H 1 1.62 . . 2 . . . . . . . . 4791 1 307 . 1 1 30 30 LYS HD3 H 1 1.33 . . 2 . . . . . . . . 4791 1 308 . 1 1 30 30 LYS CE C 13 42.04 . . 1 . . . . . . . . 4791 1 309 . 1 1 30 30 LYS HE2 H 1 3.17 . . 2 . . . . . . . . 4791 1 310 . 1 1 30 30 LYS HE3 H 1 3.02 . . 2 . . . . . . . . 4791 1 311 . 1 1 30 30 LYS C C 13 175.02 . . 1 . . . . . . . . 4791 1 312 . 1 1 31 31 ALA N N 15 124.726 . . 1 . . . . . . . . 4791 1 313 . 1 1 31 31 ALA H H 1 8.467 . . 1 . . . . . . . . 4791 1 314 . 1 1 31 31 ALA CA C 13 51.07 . . 1 . . . . . . . . 4791 1 315 . 1 1 31 31 ALA HA H 1 5.08 . . 1 . . . . . . . . 4791 1 316 . 1 1 31 31 ALA CB C 13 21.05 . . 1 . . . . . . . . 4791 1 317 . 1 1 31 31 ALA HB1 H 1 0.69 . . 1 . . . . . . . . 4791 1 318 . 1 1 31 31 ALA HB2 H 1 0.69 . . 1 . . . . . . . . 4791 1 319 . 1 1 31 31 ALA HB3 H 1 0.69 . . 1 . . . . . . . . 4791 1 320 . 1 1 31 31 ALA C C 13 174.84 . . 1 . . . . . . . . 4791 1 321 . 1 1 32 32 ILE N N 15 120.442 . . 1 . . . . . . . . 4791 1 322 . 1 1 32 32 ILE H H 1 9.085 . . 1 . . . . . . . . 4791 1 323 . 1 1 32 32 ILE CA C 13 57.18 . . 1 . . . . . . . . 4791 1 324 . 1 1 32 32 ILE HA H 1 4.35 . . 1 . . . . . . . . 4791 1 325 . 1 1 32 32 ILE CB C 13 41.3 . . 1 . . . . . . . . 4791 1 326 . 1 1 32 32 ILE HB H 1 1.39 . . 1 . . . . . . . . 4791 1 327 . 1 1 32 32 ILE CG1 C 13 27.5 . . 2 . . . . . . . . 4791 1 328 . 1 1 32 32 ILE HG12 H 1 0.26 . . 1 . . . . . . . . 4791 1 329 . 1 1 32 32 ILE HG13 H 1 1.23 . . 9 . . . . . . . . 4791 1 330 . 1 1 32 32 ILE CD1 C 13 13.1 . . 1 . . . . . . . . 4791 1 331 . 1 1 32 32 ILE HD11 H 1 -0.06 . . 1 . . . . . . . . 4791 1 332 . 1 1 32 32 ILE HD12 H 1 -0.06 . . 1 . . . . . . . . 4791 1 333 . 1 1 32 32 ILE HD13 H 1 -0.06 . . 1 . . . . . . . . 4791 1 334 . 1 1 32 32 ILE CG2 C 13 16.22 . . 2 . . . . . . . . 4791 1 335 . 1 1 32 32 ILE HG21 H 1 0.41 . . 4 . . . . . . . . 4791 1 336 . 1 1 32 32 ILE HG22 H 1 0.41 . . 4 . . . . . . . . 4791 1 337 . 1 1 32 32 ILE HG23 H 1 0.41 . . 4 . . . . . . . . 4791 1 338 . 1 1 33 33 PRO CA C 13 60.25 . . 1 . . . . . . . . 4791 1 339 . 1 1 33 33 PRO HA H 1 4.74 . . 1 . . . . . . . . 4791 1 340 . 1 1 33 33 PRO CB C 13 31.41 . . 1 . . . . . . . . 4791 1 341 . 1 1 33 33 PRO HB2 H 1 2.49 . . 2 . . . . . . . . 4791 1 342 . 1 1 33 33 PRO HB3 H 1 1.9 . . 2 . . . . . . . . 4791 1 343 . 1 1 33 33 PRO CG C 13 26.74 . . 1 . . . . . . . . 4791 1 344 . 1 1 33 33 PRO HG2 H 1 2.05 . . 1 . . . . . . . . 4791 1 345 . 1 1 33 33 PRO HG3 H 1 2.05 . . 1 . . . . . . . . 4791 1 346 . 1 1 33 33 PRO CD C 13 50.74 . . 1 . . . . . . . . 4791 1 347 . 1 1 33 33 PRO HD2 H 1 3.42 . . 2 . . . . . . . . 4791 1 348 . 1 1 33 33 PRO HD3 H 1 4.1 . . 2 . . . . . . . . 4791 1 349 . 1 1 33 33 PRO C C 13 177.39 . . 1 . . . . . . . . 4791 1 350 . 1 1 34 34 LEU N N 15 127.427 . . 1 . . . . . . . . 4791 1 351 . 1 1 34 34 LEU H H 1 9.194 . . 1 . . . . . . . . 4791 1 352 . 1 1 34 34 LEU CA C 13 56.83 . . 1 . . . . . . . . 4791 1 353 . 1 1 34 34 LEU HA H 1 3.63 . . 1 . . . . . . . . 4791 1 354 . 1 1 34 34 LEU CB C 13 41.41 . . 1 . . . . . . . . 4791 1 355 . 1 1 34 34 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 4791 1 356 . 1 1 34 34 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 4791 1 357 . 1 1 34 34 LEU CG C 13 26.52 . . 1 . . . . . . . . 4791 1 358 . 1 1 34 34 LEU HG H 1 1.55 . . 1 . . . . . . . . 4791 1 359 . 1 1 34 34 LEU CD1 C 13 25.14 . . 2 . . . . . . . . 4791 1 360 . 1 1 34 34 LEU HD11 H 1 0.86 . . 4 . . . . . . . . 4791 1 361 . 1 1 34 34 LEU HD12 H 1 0.86 . . 4 . . . . . . . . 4791 1 362 . 1 1 34 34 LEU HD13 H 1 0.86 . . 4 . . . . . . . . 4791 1 363 . 1 1 34 34 LEU CD2 C 13 23.94 . . 2 . . . . . . . . 4791 1 364 . 1 1 34 34 LEU HD21 H 1 0.79 . . 4 . . . . . . . . 4791 1 365 . 1 1 34 34 LEU HD22 H 1 0.79 . . 4 . . . . . . . . 4791 1 366 . 1 1 34 34 LEU HD23 H 1 0.79 . . 4 . . . . . . . . 4791 1 367 . 1 1 34 34 LEU C C 13 178.7 . . 1 . . . . . . . . 4791 1 368 . 1 1 35 35 GLU N N 15 113.113 . . 1 . . . . . . . . 4791 1 369 . 1 1 35 35 GLU H H 1 8.768 . . 1 . . . . . . . . 4791 1 370 . 1 1 35 35 GLU CA C 13 58.6 . . 1 . . . . . . . . 4791 1 371 . 1 1 35 35 GLU HA H 1 3.87 . . 1 . . . . . . . . 4791 1 372 . 1 1 35 35 GLU CB C 13 28.94 . . 1 . . . . . . . . 4791 1 373 . 1 1 35 35 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4791 1 374 . 1 1 35 35 GLU HB3 H 1 1.88 . . 2 . . . . . . . . 4791 1 375 . 1 1 35 35 GLU CG C 13 35.32 . . 1 . . . . . . . . 4791 1 376 . 1 1 35 35 GLU HG2 H 1 2.16 . . 1 . . . . . . . . 4791 1 377 . 1 1 35 35 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 4791 1 378 . 1 1 35 35 GLU C C 13 178.308 . . 1 . . . . . . . . 4791 1 379 . 1 1 36 36 VAL N N 15 107.777 . . 1 . . . . . . . . 4791 1 380 . 1 1 36 36 VAL H H 1 7.028 . . 1 . . . . . . . . 4791 1 381 . 1 1 36 36 VAL CA C 13 61.31 . . 1 . . . . . . . . 4791 1 382 . 1 1 36 36 VAL HA H 1 4.29 . . 1 . . . . . . . . 4791 1 383 . 1 1 36 36 VAL CB C 13 30.23 . . 1 . . . . . . . . 4791 1 384 . 1 1 36 36 VAL HB H 1 2.18 . . 1 . . . . . . . . 4791 1 385 . 1 1 36 36 VAL CG2 C 13 18.43 . . 2 . . . . . . . . 4791 1 386 . 1 1 36 36 VAL HG21 H 1 0.79 . . 4 . . . . . . . . 4791 1 387 . 1 1 36 36 VAL HG22 H 1 0.79 . . 4 . . . . . . . . 4791 1 388 . 1 1 36 36 VAL HG23 H 1 0.79 . . 4 . . . . . . . . 4791 1 389 . 1 1 36 36 VAL CG1 C 13 20.71 . . 2 . . . . . . . . 4791 1 390 . 1 1 36 36 VAL HG11 H 1 0.79 . . 4 . . . . . . . . 4791 1 391 . 1 1 36 36 VAL HG12 H 1 0.79 . . 4 . . . . . . . . 4791 1 392 . 1 1 36 36 VAL HG13 H 1 0.79 . . 4 . . . . . . . . 4791 1 393 . 1 1 36 36 VAL C C 13 176.484 . . 1 . . . . . . . . 4791 1 394 . 1 1 37 37 ILE N N 15 111.16 . . 1 . . . . . . . . 4791 1 395 . 1 1 37 37 ILE H H 1 7.108 . . 1 . . . . . . . . 4791 1 396 . 1 1 37 37 ILE CA C 13 59.54 . . 1 . . . . . . . . 4791 1 397 . 1 1 37 37 ILE HA H 1 3.7 . . 1 . . . . . . . . 4791 1 398 . 1 1 37 37 ILE CB C 13 38.47 . . 1 . . . . . . . . 4791 1 399 . 1 1 37 37 ILE HB H 1 1.87 . . 1 . . . . . . . . 4791 1 400 . 1 1 37 37 ILE CG1 C 13 25.12 . . 2 . . . . . . . . 4791 1 401 . 1 1 37 37 ILE HG13 H 1 1.16 . . 9 . . . . . . . . 4791 1 402 . 1 1 37 37 ILE CD1 C 13 14.9 . . 1 . . . . . . . . 4791 1 403 . 1 1 37 37 ILE HD11 H 1 0.56 . . 1 . . . . . . . . 4791 1 404 . 1 1 37 37 ILE HD12 H 1 0.56 . . 1 . . . . . . . . 4791 1 405 . 1 1 37 37 ILE HD13 H 1 0.56 . . 1 . . . . . . . . 4791 1 406 . 1 1 37 37 ILE CG2 C 13 17.59 . . 2 . . . . . . . . 4791 1 407 . 1 1 37 37 ILE HG21 H 1 0.12 . . 4 . . . . . . . . 4791 1 408 . 1 1 37 37 ILE HG22 H 1 0.12 . . 4 . . . . . . . . 4791 1 409 . 1 1 37 37 ILE HG23 H 1 0.12 . . 4 . . . . . . . . 4791 1 410 . 1 1 37 37 ILE C C 13 173.684 . . 1 . . . . . . . . 4791 1 411 . 1 1 38 38 LYS N N 15 121.823 . . 1 . . . . . . . . 4791 1 412 . 1 1 38 38 LYS H H 1 6.931 . . 1 . . . . . . . . 4791 1 413 . 1 1 38 38 LYS CA C 13 57.07 . . 1 . . . . . . . . 4791 1 414 . 1 1 38 38 LYS HA H 1 3.96 . . 1 . . . . . . . . 4791 1 415 . 1 1 38 38 LYS CB C 13 31.76 . . 1 . . . . . . . . 4791 1 416 . 1 1 38 38 LYS HB2 H 1 1.54 . . 2 . . . . . . . . 4791 1 417 . 1 1 38 38 LYS HB3 H 1 1.71 . . 2 . . . . . . . . 4791 1 418 . 1 1 38 38 LYS CG C 13 24.26 . . 1 . . . . . . . . 4791 1 419 . 1 1 38 38 LYS HG2 H 1 1.29 . . 1 . . . . . . . . 4791 1 420 . 1 1 38 38 LYS HG3 H 1 1.29 . . 1 . . . . . . . . 4791 1 421 . 1 1 38 38 LYS CD C 13 29 . . 1 . . . . . . . . 4791 1 422 . 1 1 38 38 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 4791 1 423 . 1 1 38 38 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 4791 1 424 . 1 1 38 38 LYS CE C 13 41.38 . . 1 . . . . . . . . 4791 1 425 . 1 1 38 38 LYS HE3 H 1 2.87 . . 2 . . . . . . . . 4791 1 426 . 1 1 38 38 LYS C C 13 175.611 . . 1 . . . . . . . . 4791 1 427 . 1 1 39 39 GLY N N 15 113.444 . . 1 . . . . . . . . 4791 1 428 . 1 1 39 39 GLY H H 1 7.781 . . 1 . . . . . . . . 4791 1 429 . 1 1 39 39 GLY CA C 13 43.89 . . 1 . . . . . . . . 4791 1 430 . 1 1 39 39 GLY HA2 H 1 3.99 . . 2 . . . . . . . . 4791 1 431 . 1 1 39 39 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 4791 1 432 . 1 1 39 39 GLY C C 13 173.864 . . 1 . . . . . . . . 4791 1 433 . 1 1 40 40 GLY N N 15 111.666 . . 1 . . . . . . . . 4791 1 434 . 1 1 40 40 GLY H H 1 8.243 . . 1 . . . . . . . . 4791 1 435 . 1 1 40 40 GLY CA C 13 43.86 . . 1 . . . . . . . . 4791 1 436 . 1 1 40 40 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 4791 1 437 . 1 1 40 40 GLY HA3 H 1 4.3 . . 2 . . . . . . . . 4791 1 438 . 1 1 40 40 GLY C C 13 172.965 . . 1 . . . . . . . . 4791 1 439 . 1 1 41 41 ARG N N 15 120.613 . . 1 . . . . . . . . 4791 1 440 . 1 1 41 41 ARG H H 1 8.587 . . 1 . . . . . . . . 4791 1 441 . 1 1 41 41 ARG CA C 13 54.24 . . 1 . . . . . . . . 4791 1 442 . 1 1 41 41 ARG HA H 1 5.6 . . 1 . . . . . . . . 4791 1 443 . 1 1 41 41 ARG CB C 13 31.29 . . 1 . . . . . . . . 4791 1 444 . 1 1 41 41 ARG HB2 H 1 1.58 . . 1 . . . . . . . . 4791 1 445 . 1 1 41 41 ARG HB3 H 1 1.58 . . 1 . . . . . . . . 4791 1 446 . 1 1 41 41 ARG CG C 13 28.35 . . 1 . . . . . . . . 4791 1 447 . 1 1 41 41 ARG HG2 H 1 1.57 . . 2 . . . . . . . . 4791 1 448 . 1 1 41 41 ARG HG3 H 1 1.65 . . 2 . . . . . . . . 4791 1 449 . 1 1 41 41 ARG CD C 13 42.67 . . 1 . . . . . . . . 4791 1 450 . 1 1 41 41 ARG HD2 H 1 3.04 . . 1 . . . . . . . . 4791 1 451 . 1 1 41 41 ARG HD3 H 1 3.04 . . 1 . . . . . . . . 4791 1 452 . 1 1 41 41 ARG NE N 15 82.46 . . 1 . . . . . . . . 4791 1 453 . 1 1 41 41 ARG HE H 1 6.97 . . 1 . . . . . . . . 4791 1 454 . 1 1 41 41 ARG C C 13 174.97 . . 1 . . . . . . . . 4791 1 455 . 1 1 42 42 HIS N N 15 123.222 . . 1 . . . . . . . . 4791 1 456 . 1 1 42 42 HIS H H 1 8.896 . . 1 . . . . . . . . 4791 1 457 . 1 1 42 42 HIS CA C 13 54.36 . . 1 . . . . . . . . 4791 1 458 . 1 1 42 42 HIS HA H 1 5.34 . . 1 . . . . . . . . 4791 1 459 . 1 1 42 42 HIS CB C 13 35.05 . . 1 . . . . . . . . 4791 1 460 . 1 1 42 42 HIS HB2 H 1 2.6 . . 2 . . . . . . . . 4791 1 461 . 1 1 42 42 HIS HB3 H 1 2.85 . . 2 . . . . . . . . 4791 1 462 . 1 1 42 42 HIS CD2 C 13 117.9 . . 1 . . . . . . . . 4791 1 463 . 1 1 42 42 HIS HD2 H 1 6.59 . . 2 . . . . . . . . 4791 1 464 . 1 1 42 42 HIS CE1 C 13 138.3 . . 1 . . . . . . . . 4791 1 465 . 1 1 42 42 HIS HE1 H 1 7.79 . . 2 . . . . . . . . 4791 1 466 . 1 1 42 42 HIS C C 13 171.783 . . 1 . . . . . . . . 4791 1 467 . 1 1 43 43 LEU N N 15 126.056 . . 1 . . . . . . . . 4791 1 468 . 1 1 43 43 LEU H H 1 8.047 . . 1 . . . . . . . . 4791 1 469 . 1 1 43 43 LEU CA C 13 52.24 . . 1 . . . . . . . . 4791 1 470 . 1 1 43 43 LEU HA H 1 4.7 . . 1 . . . . . . . . 4791 1 471 . 1 1 43 43 LEU CB C 13 43.3 . . 1 . . . . . . . . 4791 1 472 . 1 1 43 43 LEU HB2 H 1 -0.68 . . 2 . . . . . . . . 4791 1 473 . 1 1 43 43 LEU HB3 H 1 1.18 . . 2 . . . . . . . . 4791 1 474 . 1 1 43 43 LEU CG C 13 27.11 . . 1 . . . . . . . . 4791 1 475 . 1 1 43 43 LEU HG H 1 0.5 . . 1 . . . . . . . . 4791 1 476 . 1 1 43 43 LEU CD1 C 13 22.8 . . 2 . . . . . . . . 4791 1 477 . 1 1 43 43 LEU HD11 H 1 -0.02 . . 4 . . . . . . . . 4791 1 478 . 1 1 43 43 LEU HD12 H 1 -0.02 . . 4 . . . . . . . . 4791 1 479 . 1 1 43 43 LEU HD13 H 1 -0.02 . . 4 . . . . . . . . 4791 1 480 . 1 1 43 43 LEU CD2 C 13 26.845 . . 2 . . . . . . . . 4791 1 481 . 1 1 43 43 LEU HD21 H 1 0.4 . . 4 . . . . . . . . 4791 1 482 . 1 1 43 43 LEU HD22 H 1 0.4 . . 4 . . . . . . . . 4791 1 483 . 1 1 43 43 LEU HD23 H 1 0.4 . . 4 . . . . . . . . 4791 1 484 . 1 1 43 43 LEU C C 13 173.07 . . 1 . . . . . . . . 4791 1 485 . 1 1 44 44 ILE N N 15 126.115 . . 1 . . . . . . . . 4791 1 486 . 1 1 44 44 ILE H H 1 9.348 . . 1 . . . . . . . . 4791 1 487 . 1 1 44 44 ILE CA C 13 59.07 . . 1 . . . . . . . . 4791 1 488 . 1 1 44 44 ILE HA H 1 4.89 . . 1 . . . . . . . . 4791 1 489 . 1 1 44 44 ILE CB C 13 40.12 . . 1 . . . . . . . . 4791 1 490 . 1 1 44 44 ILE HB H 1 1.6 . . 1 . . . . . . . . 4791 1 491 . 1 1 44 44 ILE CG1 C 13 25.98 . . 2 . . . . . . . . 4791 1 492 . 1 1 44 44 ILE HG12 H 1 1.33 . . 1 . . . . . . . . 4791 1 493 . 1 1 44 44 ILE HG13 H 1 1.33 . . 9 . . . . . . . . 4791 1 494 . 1 1 44 44 ILE CD1 C 13 14.8 . . 1 . . . . . . . . 4791 1 495 . 1 1 44 44 ILE HD11 H 1 0.44 . . 1 . . . . . . . . 4791 1 496 . 1 1 44 44 ILE HD12 H 1 0.44 . . 1 . . . . . . . . 4791 1 497 . 1 1 44 44 ILE HD13 H 1 0.44 . . 1 . . . . . . . . 4791 1 498 . 1 1 44 44 ILE CG2 C 13 18.3 . . 2 . . . . . . . . 4791 1 499 . 1 1 44 44 ILE HG21 H 1 0.65 . . 4 . . . . . . . . 4791 1 500 . 1 1 44 44 ILE HG22 H 1 0.65 . . 4 . . . . . . . . 4791 1 501 . 1 1 44 44 ILE HG23 H 1 0.65 . . 4 . . . . . . . . 4791 1 502 . 1 1 44 44 ILE C C 13 174.87 . . 1 . . . . . . . . 4791 1 503 . 1 1 45 45 PHE N N 15 123.851 . . 1 . . . . . . . . 4791 1 504 . 1 1 45 45 PHE H H 1 9.116 . . 1 . . . . . . . . 4791 1 505 . 1 1 45 45 PHE CA C 13 56.95 . . 1 . . . . . . . . 4791 1 506 . 1 1 45 45 PHE HA H 1 5.78 . . 1 . . . . . . . . 4791 1 507 . 1 1 45 45 PHE CB C 13 41.78 . . 1 . . . . . . . . 4791 1 508 . 1 1 45 45 PHE HB2 H 1 3.02 . . 1 . . . . . . . . 4791 1 509 . 1 1 45 45 PHE HB3 H 1 3.02 . . 1 . . . . . . . . 4791 1 510 . 1 1 45 45 PHE HD1 H 1 7.08 . . 1 . . . . . . . . 4791 1 511 . 1 1 45 45 PHE CE1 C 13 130 . . 1 . . . . . . . . 4791 1 512 . 1 1 45 45 PHE HE1 H 1 7.21 . . 1 . . . . . . . . 4791 1 513 . 1 1 45 45 PHE CE2 C 13 130 . . 1 . . . . . . . . 4791 1 514 . 1 1 45 45 PHE HE2 H 1 7.21 . . 1 . . . . . . . . 4791 1 515 . 1 1 45 45 PHE CD2 C 13 132.06 . . 2 . . . . . . . . 4791 1 516 . 1 1 45 45 PHE HD2 H 1 7.08 . . 1 . . . . . . . . 4791 1 517 . 1 1 45 45 PHE C C 13 176.8 . . 1 . . . . . . . . 4791 1 518 . 1 1 46 46 CYS N N 15 116.056 . . 1 . . . . . . . . 4791 1 519 . 1 1 46 46 CYS H H 1 8.752 . . 1 . . . . . . . . 4791 1 520 . 1 1 46 46 CYS CA C 13 56.95 . . 1 . . . . . . . . 4791 1 521 . 1 1 46 46 CYS HA H 1 5.12 . . 1 . . . . . . . . 4791 1 522 . 1 1 46 46 CYS CB C 13 31.53 . . 1 . . . . . . . . 4791 1 523 . 1 1 46 46 CYS HB2 H 1 3.3 . . 2 . . . . . . . . 4791 1 524 . 1 1 46 46 CYS HB3 H 1 3.16 . . 2 . . . . . . . . 4791 1 525 . 1 1 46 46 CYS C C 13 175.74 . . 1 . . . . . . . . 4791 1 526 . 1 1 47 47 HIS N N 15 116.963 . . 1 . . . . . . . . 4791 1 527 . 1 1 47 47 HIS H H 1 8.454 . . 1 . . . . . . . . 4791 1 528 . 1 1 47 47 HIS CA C 13 56.95 . . 1 . . . . . . . . 4791 1 529 . 1 1 47 47 HIS HA H 1 4.47 . . 1 . . . . . . . . 4791 1 530 . 1 1 47 47 HIS CB C 13 31.29 . . 1 . . . . . . . . 4791 1 531 . 1 1 47 47 HIS HB2 H 1 3.25 . . 2 . . . . . . . . 4791 1 532 . 1 1 47 47 HIS HB3 H 1 2.81 . . 2 . . . . . . . . 4791 1 533 . 1 1 47 47 HIS CD2 C 13 118.57 . . 1 . . . . . . . . 4791 1 534 . 1 1 47 47 HIS HD2 H 1 6.94 . . 2 . . . . . . . . 4791 1 535 . 1 1 47 47 HIS CE1 C 13 138 . . 1 . . . . . . . . 4791 1 536 . 1 1 47 47 HIS HE1 H 1 7.74 . . 2 . . . . . . . . 4791 1 537 . 1 1 47 47 HIS C C 13 173.71 . . 1 . . . . . . . . 4791 1 538 . 1 1 48 48 SER N N 15 112.051 . . 1 . . . . . . . . 4791 1 539 . 1 1 48 48 SER H H 1 6.811 . . 1 . . . . . . . . 4791 1 540 . 1 1 48 48 SER CA C 13 54.28 . . 1 . . . . . . . . 4791 1 541 . 1 1 48 48 SER HA H 1 4.61 . . 1 . . . . . . . . 4791 1 542 . 1 1 48 48 SER CB C 13 66.92 . . 1 . . . . . . . . 4791 1 543 . 1 1 48 48 SER HB2 H 1 3.88 . . 2 . . . . . . . . 4791 1 544 . 1 1 48 48 SER HB3 H 1 2.87 . . 2 . . . . . . . . 4791 1 545 . 1 1 48 48 SER C C 13 173.59 . . 1 . . . . . . . . 4791 1 546 . 1 1 49 49 LYS N N 15 124.102 . . 1 . . . . . . . . 4791 1 547 . 1 1 49 49 LYS H H 1 8.781 . . 1 . . . . . . . . 4791 1 548 . 1 1 49 49 LYS CA C 13 59.14 . . 1 . . . . . . . . 4791 1 549 . 1 1 49 49 LYS HA H 1 3.45 . . 1 . . . . . . . . 4791 1 550 . 1 1 49 49 LYS CB C 13 31.04 . . 1 . . . . . . . . 4791 1 551 . 1 1 49 49 LYS HB2 H 1 1.04 . . 1 . . . . . . . . 4791 1 552 . 1 1 49 49 LYS HB3 H 1 1.04 . . 1 . . . . . . . . 4791 1 553 . 1 1 49 49 LYS CG C 13 22.64 . . 1 . . . . . . . . 4791 1 554 . 1 1 49 49 LYS HG2 H 1 0.56 . . 1 . . . . . . . . 4791 1 555 . 1 1 49 49 LYS HG3 H 1 0.56 . . 1 . . . . . . . . 4791 1 556 . 1 1 49 49 LYS CD C 13 29.1 . . 1 . . . . . . . . 4791 1 557 . 1 1 49 49 LYS HD2 H 1 1.24 . . 1 . . . . . . . . 4791 1 558 . 1 1 49 49 LYS HD3 H 1 1.24 . . 1 . . . . . . . . 4791 1 559 . 1 1 49 49 LYS CE C 13 41.27 . . 1 . . . . . . . . 4791 1 560 . 1 1 49 49 LYS HE2 H 1 2.71 . . 1 . . . . . . . . 4791 1 561 . 1 1 49 49 LYS HE3 H 1 2.71 . . 1 . . . . . . . . 4791 1 562 . 1 1 49 49 LYS C C 13 176.844 . . 1 . . . . . . . . 4791 1 563 . 1 1 50 50 LYS N N 15 118.399 . . 1 . . . . . . . . 4791 1 564 . 1 1 50 50 LYS H H 1 7.873 . . 1 . . . . . . . . 4791 1 565 . 1 1 50 50 LYS CA C 13 58.72 . . 1 . . . . . . . . 4791 1 566 . 1 1 50 50 LYS HA H 1 3.93 . . 1 . . . . . . . . 4791 1 567 . 1 1 50 50 LYS CB C 13 31.88 . . 1 . . . . . . . . 4791 1 568 . 1 1 50 50 LYS HB2 H 1 1.7 . . 2 . . . . . . . . 4791 1 569 . 1 1 50 50 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 4791 1 570 . 1 1 50 50 LYS CG C 13 24.26 . . 1 . . . . . . . . 4791 1 571 . 1 1 50 50 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 4791 1 572 . 1 1 50 50 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 4791 1 573 . 1 1 50 50 LYS CD C 13 28.78 . . 1 . . . . . . . . 4791 1 574 . 1 1 50 50 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 4791 1 575 . 1 1 50 50 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 4791 1 576 . 1 1 50 50 LYS CE C 13 41.27 . . 1 . . . . . . . . 4791 1 577 . 1 1 50 50 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 4791 1 578 . 1 1 50 50 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 4791 1 579 . 1 1 50 50 LYS C C 13 179.207 . . 1 . . . . . . . . 4791 1 580 . 1 1 51 51 LYS N N 15 118.386 . . 1 . . . . . . . . 4791 1 581 . 1 1 51 51 LYS H H 1 7.532 . . 1 . . . . . . . . 4791 1 582 . 1 1 51 51 LYS CA C 13 56.72 . . 1 . . . . . . . . 4791 1 583 . 1 1 51 51 LYS HA H 1 4.12 . . 1 . . . . . . . . 4791 1 584 . 1 1 51 51 LYS CB C 13 30.82 . . 1 . . . . . . . . 4791 1 585 . 1 1 51 51 LYS HB2 H 1 1.79 . . 1 . . . . . . . . 4791 1 586 . 1 1 51 51 LYS HB3 H 1 1.79 . . 1 . . . . . . . . 4791 1 587 . 1 1 51 51 LYS CG C 13 23.51 . . 1 . . . . . . . . 4791 1 588 . 1 1 51 51 LYS HG2 H 1 1.67 . . 1 . . . . . . . . 4791 1 589 . 1 1 51 51 LYS HG3 H 1 1.67 . . 1 . . . . . . . . 4791 1 590 . 1 1 51 51 LYS CD C 13 27.38 . . 1 . . . . . . . . 4791 1 591 . 1 1 51 51 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 4791 1 592 . 1 1 51 51 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 4791 1 593 . 1 1 51 51 LYS CE C 13 41.27 . . 1 . . . . . . . . 4791 1 594 . 1 1 51 51 LYS HE2 H 1 3.14 . . 1 . . . . . . . . 4791 1 595 . 1 1 51 51 LYS HE3 H 1 3.14 . . 1 . . . . . . . . 4791 1 596 . 1 1 51 51 LYS C C 13 178.694 . . 1 . . . . . . . . 4791 1 597 . 1 1 52 52 CYS N N 15 117.615 . . 1 . . . . . . . . 4791 1 598 . 1 1 52 52 CYS H H 1 7.681 . . 1 . . . . . . . . 4791 1 599 . 1 1 52 52 CYS CA C 13 62.48 . . 1 . . . . . . . . 4791 1 600 . 1 1 52 52 CYS HA H 1 4.33 . . 1 . . . . . . . . 4791 1 601 . 1 1 52 52 CYS CB C 13 26.46 . . 1 . . . . . . . . 4791 1 602 . 1 1 52 52 CYS HB2 H 1 3.57 . . 2 . . . . . . . . 4791 1 603 . 1 1 52 52 CYS HB3 H 1 2.68 . . 2 . . . . . . . . 4791 1 604 . 1 1 52 52 CYS C C 13 176.97 . . 1 . . . . . . . . 4791 1 605 . 1 1 53 53 ASP N N 15 118.916 . . 1 . . . . . . . . 4791 1 606 . 1 1 53 53 ASP H H 1 8.132 . . 1 . . . . . . . . 4791 1 607 . 1 1 53 53 ASP CA C 13 56.95 . . 1 . . . . . . . . 4791 1 608 . 1 1 53 53 ASP HA H 1 4.35 . . 1 . . . . . . . . 4791 1 609 . 1 1 53 53 ASP CB C 13 39.64 . . 1 . . . . . . . . 4791 1 610 . 1 1 53 53 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 4791 1 611 . 1 1 53 53 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 4791 1 612 . 1 1 53 53 ASP C C 13 179.541 . . 1 . . . . . . . . 4791 1 613 . 1 1 54 54 GLU N N 15 120.901 . . 1 . . . . . . . . 4791 1 614 . 1 1 54 54 GLU H H 1 8.129 . . 1 . . . . . . . . 4791 1 615 . 1 1 54 54 GLU CA C 13 58.6 . . 1 . . . . . . . . 4791 1 616 . 1 1 54 54 GLU HA H 1 3.98 . . 1 . . . . . . . . 4791 1 617 . 1 1 54 54 GLU CB C 13 29.88 . . 1 . . . . . . . . 4791 1 618 . 1 1 54 54 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 4791 1 619 . 1 1 54 54 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 4791 1 620 . 1 1 54 54 GLU CG C 13 36.28 . . 1 . . . . . . . . 4791 1 621 . 1 1 54 54 GLU HG2 H 1 2.08 . . 2 . . . . . . . . 4791 1 622 . 1 1 54 54 GLU HG3 H 1 2.46 . . 2 . . . . . . . . 4791 1 623 . 1 1 54 54 GLU C C 13 179.34 . . 1 . . . . . . . . 4791 1 624 . 1 1 55 55 LEU N N 15 121.417 . . 1 . . . . . . . . 4791 1 625 . 1 1 55 55 LEU H H 1 8.756 . . 1 . . . . . . . . 4791 1 626 . 1 1 55 55 LEU CA C 13 57.3 . . 1 . . . . . . . . 4791 1 627 . 1 1 55 55 LEU HA H 1 4.19 . . 1 . . . . . . . . 4791 1 628 . 1 1 55 55 LEU CB C 13 40.83 . . 1 . . . . . . . . 4791 1 629 . 1 1 55 55 LEU HB2 H 1 1.79 . . 2 . . . . . . . . 4791 1 630 . 1 1 55 55 LEU HB3 H 1 1.82 . . 2 . . . . . . . . 4791 1 631 . 1 1 55 55 LEU CG C 13 26.38 . . 1 . . . . . . . . 4791 1 632 . 1 1 55 55 LEU HG H 1 1.58 . . 1 . . . . . . . . 4791 1 633 . 1 1 55 55 LEU CD1 C 13 24.22 . . 2 . . . . . . . . 4791 1 634 . 1 1 55 55 LEU HD11 H 1 1.01 . . 4 . . . . . . . . 4791 1 635 . 1 1 55 55 LEU HD12 H 1 1.01 . . 4 . . . . . . . . 4791 1 636 . 1 1 55 55 LEU HD13 H 1 1.01 . . 4 . . . . . . . . 4791 1 637 . 1 1 55 55 LEU CD2 C 13 26.25 . . 2 . . . . . . . . 4791 1 638 . 1 1 55 55 LEU HD21 H 1 0.95 . . 4 . . . . . . . . 4791 1 639 . 1 1 55 55 LEU HD22 H 1 0.95 . . 4 . . . . . . . . 4791 1 640 . 1 1 55 55 LEU HD23 H 1 0.95 . . 4 . . . . . . . . 4791 1 641 . 1 1 55 55 LEU C C 13 178.83 . . 1 . . . . . . . . 4791 1 642 . 1 1 56 56 ALA N N 15 120.191 . . 1 . . . . . . . . 4791 1 643 . 1 1 56 56 ALA H H 1 8.721 . . 1 . . . . . . . . 4791 1 644 . 1 1 56 56 ALA CA C 13 55.66 . . 1 . . . . . . . . 4791 1 645 . 1 1 56 56 ALA HA H 1 3.76 . . 1 . . . . . . . . 4791 1 646 . 1 1 56 56 ALA CB C 13 16.46 . . 1 . . . . . . . . 4791 1 647 . 1 1 56 56 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4791 1 648 . 1 1 56 56 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4791 1 649 . 1 1 56 56 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4791 1 650 . 1 1 56 56 ALA C C 13 178.437 . . 1 . . . . . . . . 4791 1 651 . 1 1 57 57 ALA N N 15 117.04 . . 1 . . . . . . . . 4791 1 652 . 1 1 57 57 ALA H H 1 7.527 . . 1 . . . . . . . . 4791 1 653 . 1 1 57 57 ALA CA C 13 54.6 . . 1 . . . . . . . . 4791 1 654 . 1 1 57 57 ALA HA H 1 4.13 . . 1 . . . . . . . . 4791 1 655 . 1 1 57 57 ALA CB C 13 17.17 . . 1 . . . . . . . . 4791 1 656 . 1 1 57 57 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4791 1 657 . 1 1 57 57 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4791 1 658 . 1 1 57 57 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4791 1 659 . 1 1 57 57 ALA C C 13 181.185 . . 1 . . . . . . . . 4791 1 660 . 1 1 58 58 LYS N N 15 120.438 . . 1 . . . . . . . . 4791 1 661 . 1 1 58 58 LYS H H 1 7.774 . . 1 . . . . . . . . 4791 1 662 . 1 1 58 58 LYS CA C 13 58.36 . . 1 . . . . . . . . 4791 1 663 . 1 1 58 58 LYS HA H 1 4.06 . . 1 . . . . . . . . 4791 1 664 . 1 1 58 58 LYS CB C 13 31.88 . . 1 . . . . . . . . 4791 1 665 . 1 1 58 58 LYS HB2 H 1 2.02 . . 2 . . . . . . . . 4791 1 666 . 1 1 58 58 LYS HB3 H 1 1.96 . . 2 . . . . . . . . 4791 1 667 . 1 1 58 58 LYS CG C 13 24.87 . . 1 . . . . . . . . 4791 1 668 . 1 1 58 58 LYS HG2 H 1 1.58 . . 2 . . . . . . . . 4791 1 669 . 1 1 58 58 LYS HG3 H 1 1.46 . . 2 . . . . . . . . 4791 1 670 . 1 1 58 58 LYS CD C 13 29.17 . . 1 . . . . . . . . 4791 1 671 . 1 1 58 58 LYS HD2 H 1 1.71 . . 2 . . . . . . . . 4791 1 672 . 1 1 58 58 LYS HD3 H 1 1.72 . . 2 . . . . . . . . 4791 1 673 . 1 1 58 58 LYS CE C 13 41.77 . . 1 . . . . . . . . 4791 1 674 . 1 1 58 58 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 4791 1 675 . 1 1 58 58 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 4791 1 676 . 1 1 58 58 LYS C C 13 178.565 . . 1 . . . . . . . . 4791 1 677 . 1 1 59 59 LEU N N 15 117.845 . . 1 . . . . . . . . 4791 1 678 . 1 1 59 59 LEU H H 1 8.209 . . 1 . . . . . . . . 4791 1 679 . 1 1 59 59 LEU CA C 13 57.42 . . 1 . . . . . . . . 4791 1 680 . 1 1 59 59 LEU HA H 1 3.89 . . 1 . . . . . . . . 4791 1 681 . 1 1 59 59 LEU CB C 13 40.47 . . 1 . . . . . . . . 4791 1 682 . 1 1 59 59 LEU HB2 H 1 1.87 . . 2 . . . . . . . . 4791 1 683 . 1 1 59 59 LEU HB3 H 1 1.04 . . 2 . . . . . . . . 4791 1 684 . 1 1 59 59 LEU CG C 13 26.27 . . 1 . . . . . . . . 4791 1 685 . 1 1 59 59 LEU HG H 1 1.01 . . 1 . . . . . . . . 4791 1 686 . 1 1 59 59 LEU CD1 C 13 26.2 . . 2 . . . . . . . . 4791 1 687 . 1 1 59 59 LEU HD11 H 1 0.55 . . 4 . . . . . . . . 4791 1 688 . 1 1 59 59 LEU HD12 H 1 0.55 . . 4 . . . . . . . . 4791 1 689 . 1 1 59 59 LEU HD13 H 1 0.55 . . 4 . . . . . . . . 4791 1 690 . 1 1 59 59 LEU CD2 C 13 23.69 . . 2 . . . . . . . . 4791 1 691 . 1 1 59 59 LEU HD21 H 1 0.6 . . 4 . . . . . . . . 4791 1 692 . 1 1 59 59 LEU HD22 H 1 0.6 . . 4 . . . . . . . . 4791 1 693 . 1 1 59 59 LEU HD23 H 1 0.6 . . 4 . . . . . . . . 4791 1 694 . 1 1 59 59 LEU C C 13 179.57 . . 1 . . . . . . . . 4791 1 695 . 1 1 60 60 VAL N N 15 122.107 . . 1 . . . . . . . . 4791 1 696 . 1 1 60 60 VAL H H 1 8.587 . . 1 . . . . . . . . 4791 1 697 . 1 1 60 60 VAL CA C 13 65.66 . . 1 . . . . . . . . 4791 1 698 . 1 1 60 60 VAL HA H 1 4.33 . . 1 . . . . . . . . 4791 1 699 . 1 1 60 60 VAL CB C 13 31.29 . . 1 . . . . . . . . 4791 1 700 . 1 1 60 60 VAL HB H 1 2.17 . . 1 . . . . . . . . 4791 1 701 . 1 1 60 60 VAL CG2 C 13 23.65 . . 2 . . . . . . . . 4791 1 702 . 1 1 60 60 VAL HG21 H 1 1.31 . . 4 . . . . . . . . 4791 1 703 . 1 1 60 60 VAL HG22 H 1 1.31 . . 4 . . . . . . . . 4791 1 704 . 1 1 60 60 VAL HG23 H 1 1.31 . . 4 . . . . . . . . 4791 1 705 . 1 1 60 60 VAL CG1 C 13 20.67 . . 2 . . . . . . . . 4791 1 706 . 1 1 60 60 VAL HG11 H 1 1.02 . . 4 . . . . . . . . 4791 1 707 . 1 1 60 60 VAL HG12 H 1 1.02 . . 4 . . . . . . . . 4791 1 708 . 1 1 60 60 VAL HG13 H 1 1.02 . . 4 . . . . . . . . 4791 1 709 . 1 1 60 60 VAL C C 13 181.262 . . 1 . . . . . . . . 4791 1 710 . 1 1 61 61 ALA N N 15 123.271 . . 1 . . . . . . . . 4791 1 711 . 1 1 61 61 ALA H H 1 7.713 . . 1 . . . . . . . . 4791 1 712 . 1 1 61 61 ALA CA C 13 54.13 . . 1 . . . . . . . . 4791 1 713 . 1 1 61 61 ALA HA H 1 4.19 . . 1 . . . . . . . . 4791 1 714 . 1 1 61 61 ALA CB C 13 17.29 . . 1 . . . . . . . . 4791 1 715 . 1 1 61 61 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4791 1 716 . 1 1 61 61 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4791 1 717 . 1 1 61 61 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4791 1 718 . 1 1 61 61 ALA C C 13 178.951 . . 1 . . . . . . . . 4791 1 719 . 1 1 62 62 LEU N N 15 117.827 . . 1 . . . . . . . . 4791 1 720 . 1 1 62 62 LEU H H 1 7.417 . . 1 . . . . . . . . 4791 1 721 . 1 1 62 62 LEU CA C 13 54.12 . . 1 . . . . . . . . 4791 1 722 . 1 1 62 62 LEU HA H 1 4.38 . . 1 . . . . . . . . 4791 1 723 . 1 1 62 62 LEU CB C 13 42.12 . . 1 . . . . . . . . 4791 1 724 . 1 1 62 62 LEU HB2 H 1 1.8 . . 1 . . . . . . . . 4791 1 725 . 1 1 62 62 LEU HB3 H 1 1.8 . . 1 . . . . . . . . 4791 1 726 . 1 1 62 62 LEU CG C 13 26.37 . . 1 . . . . . . . . 4791 1 727 . 1 1 62 62 LEU HG H 1 1.76 . . 1 . . . . . . . . 4791 1 728 . 1 1 62 62 LEU CD1 C 13 26.36 . . 2 . . . . . . . . 4791 1 729 . 1 1 62 62 LEU HD11 H 1 0.82 . . 4 . . . . . . . . 4791 1 730 . 1 1 62 62 LEU HD12 H 1 0.82 . . 4 . . . . . . . . 4791 1 731 . 1 1 62 62 LEU HD13 H 1 0.82 . . 4 . . . . . . . . 4791 1 732 . 1 1 62 62 LEU CD2 C 13 22.39 . . 2 . . . . . . . . 4791 1 733 . 1 1 62 62 LEU HD21 H 1 0.86 . . 4 . . . . . . . . 4791 1 734 . 1 1 62 62 LEU HD22 H 1 0.86 . . 4 . . . . . . . . 4791 1 735 . 1 1 62 62 LEU HD23 H 1 0.86 . . 4 . . . . . . . . 4791 1 736 . 1 1 62 62 LEU C C 13 176.921 . . 1 . . . . . . . . 4791 1 737 . 1 1 63 63 GLY N N 15 107.459 . . 1 . . . . . . . . 4791 1 738 . 1 1 63 63 GLY H H 1 8.034 . . 1 . . . . . . . . 4791 1 739 . 1 1 63 63 GLY CA C 13 45.06 . . 1 . . . . . . . . 4791 1 740 . 1 1 63 63 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 4791 1 741 . 1 1 63 63 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 4791 1 742 . 1 1 63 63 GLY C C 13 174.018 . . 1 . . . . . . . . 4791 1 743 . 1 1 64 64 ILE N N 15 122.755 . . 1 . . . . . . . . 4791 1 744 . 1 1 64 64 ILE H H 1 7.909 . . 1 . . . . . . . . 4791 1 745 . 1 1 64 64 ILE CA C 13 57.54 . . 1 . . . . . . . . 4791 1 746 . 1 1 64 64 ILE HA H 1 4.1 . . 1 . . . . . . . . 4791 1 747 . 1 1 64 64 ILE CB C 13 37.17 . . 1 . . . . . . . . 4791 1 748 . 1 1 64 64 ILE HB H 1 1.68 . . 1 . . . . . . . . 4791 1 749 . 1 1 64 64 ILE CG1 C 13 26.91 . . 2 . . . . . . . . 4791 1 750 . 1 1 64 64 ILE HG13 H 1 1.2 . . 9 . . . . . . . . 4791 1 751 . 1 1 64 64 ILE CD1 C 13 11.09 . . 1 . . . . . . . . 4791 1 752 . 1 1 64 64 ILE HD11 H 1 0.64 . . 1 . . . . . . . . 4791 1 753 . 1 1 64 64 ILE HD12 H 1 0.64 . . 1 . . . . . . . . 4791 1 754 . 1 1 64 64 ILE HD13 H 1 0.64 . . 1 . . . . . . . . 4791 1 755 . 1 1 64 64 ILE CG2 C 13 17.43 . . 2 . . . . . . . . 4791 1 756 . 1 1 64 64 ILE HG21 H 1 0.71 . . 4 . . . . . . . . 4791 1 757 . 1 1 64 64 ILE HG22 H 1 0.71 . . 4 . . . . . . . . 4791 1 758 . 1 1 64 64 ILE HG23 H 1 0.71 . . 4 . . . . . . . . 4791 1 759 . 1 1 64 64 ILE C C 13 175.51 . . 1 . . . . . . . . 4791 1 760 . 1 1 65 65 ASN N N 15 125.454 . . 1 . . . . . . . . 4791 1 761 . 1 1 65 65 ASN H H 1 8.725 . . 1 . . . . . . . . 4791 1 762 . 1 1 65 65 ASN CA C 13 52.13 . . 1 . . . . . . . . 4791 1 763 . 1 1 65 65 ASN HA H 1 4.76 . . 1 . . . . . . . . 4791 1 764 . 1 1 65 65 ASN CB C 13 36.95 . . 1 . . . . . . . . 4791 1 765 . 1 1 65 65 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 4791 1 766 . 1 1 65 65 ASN HB3 H 1 2.98 . . 2 . . . . . . . . 4791 1 767 . 1 1 65 65 ASN ND2 N 15 111.1 . . 1 . . . . . . . . 4791 1 768 . 1 1 65 65 ASN HD21 H 1 6.77 . . 2 . . . . . . . . 4791 1 769 . 1 1 65 65 ASN HD22 H 1 7.3 . . 2 . . . . . . . . 4791 1 770 . 1 1 65 65 ASN C C 13 172.939 . . 1 . . . . . . . . 4791 1 771 . 1 1 66 66 ALA N N 15 127.459 . . 1 . . . . . . . . 4791 1 772 . 1 1 66 66 ALA H H 1 7.157 . . 1 . . . . . . . . 4791 1 773 . 1 1 66 66 ALA CA C 13 49.3 . . 1 . . . . . . . . 4791 1 774 . 1 1 66 66 ALA HA H 1 5.86 . . 1 . . . . . . . . 4791 1 775 . 1 1 66 66 ALA CB C 13 22.94 . . 1 . . . . . . . . 4791 1 776 . 1 1 66 66 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4791 1 777 . 1 1 66 66 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4791 1 778 . 1 1 66 66 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4791 1 779 . 1 1 66 66 ALA C C 13 176.64 . . 1 . . . . . . . . 4791 1 780 . 1 1 67 67 VAL N N 15 118.843 . . 1 . . . . . . . . 4791 1 781 . 1 1 67 67 VAL H H 1 8.72 . . 1 . . . . . . . . 4791 1 782 . 1 1 67 67 VAL CA C 13 59.3 . . 1 . . . . . . . . 4791 1 783 . 1 1 67 67 VAL HA H 1 4.3 . . 1 . . . . . . . . 4791 1 784 . 1 1 67 67 VAL CB C 13 35.53 . . 1 . . . . . . . . 4791 1 785 . 1 1 67 67 VAL HB H 1 1.87 . . 1 . . . . . . . . 4791 1 786 . 1 1 67 67 VAL CG2 C 13 20.35 . . 2 . . . . . . . . 4791 1 787 . 1 1 67 67 VAL HG21 H 1 0.84 . . 4 . . . . . . . . 4791 1 788 . 1 1 67 67 VAL HG22 H 1 0.84 . . 4 . . . . . . . . 4791 1 789 . 1 1 67 67 VAL HG23 H 1 0.84 . . 4 . . . . . . . . 4791 1 790 . 1 1 67 67 VAL CG1 C 13 19.88 . . 2 . . . . . . . . 4791 1 791 . 1 1 67 67 VAL HG11 H 1 0.85 . . 4 . . . . . . . . 4791 1 792 . 1 1 67 67 VAL HG12 H 1 0.85 . . 4 . . . . . . . . 4791 1 793 . 1 1 67 67 VAL HG13 H 1 0.85 . . 4 . . . . . . . . 4791 1 794 . 1 1 67 67 VAL C C 13 172.84 . . 1 . . . . . . . . 4791 1 795 . 1 1 68 68 ALA N N 15 127.666 . . 1 . . . . . . . . 4791 1 796 . 1 1 68 68 ALA H H 1 8.329 . . 1 . . . . . . . . 4791 1 797 . 1 1 68 68 ALA CA C 13 49.41 . . 1 . . . . . . . . 4791 1 798 . 1 1 68 68 ALA HA H 1 5.56 . . 1 . . . . . . . . 4791 1 799 . 1 1 68 68 ALA CB C 13 20.11 . . 1 . . . . . . . . 4791 1 800 . 1 1 68 68 ALA HB1 H 1 1.22 . . 1 . . . . . . . . 4791 1 801 . 1 1 68 68 ALA HB2 H 1 1.22 . . 1 . . . . . . . . 4791 1 802 . 1 1 68 68 ALA HB3 H 1 1.22 . . 1 . . . . . . . . 4791 1 803 . 1 1 68 68 ALA C C 13 176.28 . . 1 . . . . . . . . 4791 1 804 . 1 1 69 69 TYR N N 15 117.932 . . 1 . . . . . . . . 4791 1 805 . 1 1 69 69 TYR H H 1 8.656 . . 1 . . . . . . . . 4791 1 806 . 1 1 69 69 TYR CA C 13 59.07 . . 1 . . . . . . . . 4791 1 807 . 1 1 69 69 TYR HA H 1 4.04 . . 1 . . . . . . . . 4791 1 808 . 1 1 69 69 TYR CB C 13 41.53 . . 1 . . . . . . . . 4791 1 809 . 1 1 69 69 TYR HB2 H 1 2.44 . . 2 . . . . . . . . 4791 1 810 . 1 1 69 69 TYR HB3 H 1 2.32 . . 2 . . . . . . . . 4791 1 811 . 1 1 69 69 TYR CD1 C 13 132.07 . . 1 . . . . . . . . 4791 1 812 . 1 1 69 69 TYR HD1 H 1 6.65 . . 1 . . . . . . . . 4791 1 813 . 1 1 69 69 TYR CE1 C 13 117.5 . . 1 . . . . . . . . 4791 1 814 . 1 1 69 69 TYR HE1 H 1 6.36 . . 1 . . . . . . . . 4791 1 815 . 1 1 69 69 TYR CE2 C 13 117.5 . . 1 . . . . . . . . 4791 1 816 . 1 1 69 69 TYR HE2 H 1 6.36 . . 1 . . . . . . . . 4791 1 817 . 1 1 69 69 TYR CD2 C 13 132.07 . . 1 . . . . . . . . 4791 1 818 . 1 1 69 69 TYR HD2 H 1 6.65 . . 1 . . . . . . . . 4791 1 819 . 1 1 69 69 TYR C C 13 171.218 . . 1 . . . . . . . . 4791 1 820 . 1 1 70 70 TYR N N 15 119.96 . . 1 . . . . . . . . 4791 1 821 . 1 1 70 70 TYR H H 1 5.38 . . 1 . . . . . . . . 4791 1 822 . 1 1 70 70 TYR CA C 13 52.95 . . 1 . . . . . . . . 4791 1 823 . 1 1 70 70 TYR HA H 1 4.21 . . 1 . . . . . . . . 4791 1 824 . 1 1 70 70 TYR CB C 13 38.77 . . 1 . . . . . . . . 4791 1 825 . 1 1 70 70 TYR HB2 H 1 2.94 . . 2 . . . . . . . . 4791 1 826 . 1 1 70 70 TYR HB3 H 1 3.46 . . 2 . . . . . . . . 4791 1 827 . 1 1 70 70 TYR CD1 C 13 131.32 . . 1 . . . . . . . . 4791 1 828 . 1 1 70 70 TYR HD1 H 1 6.78 . . 1 . . . . . . . . 4791 1 829 . 1 1 70 70 TYR CE1 C 13 118.3 . . 1 . . . . . . . . 4791 1 830 . 1 1 70 70 TYR HE1 H 1 6.66 . . 1 . . . . . . . . 4791 1 831 . 1 1 70 70 TYR CE2 C 13 118.3 . . 1 . . . . . . . . 4791 1 832 . 1 1 70 70 TYR HE2 H 1 6.66 . . 1 . . . . . . . . 4791 1 833 . 1 1 70 70 TYR CD2 C 13 131.32 . . 1 . . . . . . . . 4791 1 834 . 1 1 70 70 TYR HD2 H 1 6.78 . . 1 . . . . . . . . 4791 1 835 . 1 1 70 70 TYR C C 13 173.607 . . 1 . . . . . . . . 4791 1 836 . 1 1 71 71 ARG N N 15 117.555 . . 1 . . . . . . . . 4791 1 837 . 1 1 71 71 ARG H H 1 8.17 . . 1 . . . . . . . . 4791 1 838 . 1 1 71 71 ARG CA C 13 57.89 . . 1 . . . . . . . . 4791 1 839 . 1 1 71 71 ARG HA H 1 3.94 . . 1 . . . . . . . . 4791 1 840 . 1 1 71 71 ARG CB C 13 29.4 . . 1 . . . . . . . . 4791 1 841 . 1 1 71 71 ARG HB2 H 1 1.76 . . 1 . . . . . . . . 4791 1 842 . 1 1 71 71 ARG HB3 H 1 1.76 . . 1 . . . . . . . . 4791 1 843 . 1 1 71 71 ARG CG C 13 26.8 . . 1 . . . . . . . . 4791 1 844 . 1 1 71 71 ARG HG2 H 1 1.69 . . 2 . . . . . . . . 4791 1 845 . 1 1 71 71 ARG HG3 H 1 1.64 . . 2 . . . . . . . . 4791 1 846 . 1 1 71 71 ARG CD C 13 43.17 . . 1 . . . . . . . . 4791 1 847 . 1 1 71 71 ARG HD2 H 1 3.21 . . 1 . . . . . . . . 4791 1 848 . 1 1 71 71 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 4791 1 849 . 1 1 71 71 ARG NE N 15 85.007 . . 1 . . . . . . . . 4791 1 850 . 1 1 71 71 ARG HE H 1 7.14 . . 1 . . . . . . . . 4791 1 851 . 1 1 71 71 ARG C C 13 176.13 . . 1 . . . . . . . . 4791 1 852 . 1 1 72 72 GLY N N 15 114.43 . . 1 . . . . . . . . 4791 1 853 . 1 1 72 72 GLY H H 1 8.815 . . 1 . . . . . . . . 4791 1 854 . 1 1 72 72 GLY CA C 13 44 . . 1 . . . . . . . . 4791 1 855 . 1 1 72 72 GLY HA2 H 1 3.59 . . 2 . . . . . . . . 4791 1 856 . 1 1 72 72 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 4791 1 857 . 1 1 72 72 GLY C C 13 174.635 . . 1 . . . . . . . . 4791 1 858 . 1 1 73 73 LEU N N 15 120.385 . . 1 . . . . . . . . 4791 1 859 . 1 1 73 73 LEU H H 1 7.526 . . 1 . . . . . . . . 4791 1 860 . 1 1 73 73 LEU CA C 13 53.06 . . 1 . . . . . . . . 4791 1 861 . 1 1 73 73 LEU HA H 1 4.59 . . 1 . . . . . . . . 4791 1 862 . 1 1 73 73 LEU CB C 13 42.36 . . 1 . . . . . . . . 4791 1 863 . 1 1 73 73 LEU HB2 H 1 1.36 . . 2 . . . . . . . . 4791 1 864 . 1 1 73 73 LEU HB3 H 1 1.44 . . 2 . . . . . . . . 4791 1 865 . 1 1 73 73 LEU CG C 13 25.84 . . 1 . . . . . . . . 4791 1 866 . 1 1 73 73 LEU HG H 1 1.13 . . 1 . . . . . . . . 4791 1 867 . 1 1 73 73 LEU CD1 C 13 25.8 . . 2 . . . . . . . . 4791 1 868 . 1 1 73 73 LEU HD11 H 1 0.19 . . 4 . . . . . . . . 4791 1 869 . 1 1 73 73 LEU HD12 H 1 0.19 . . 4 . . . . . . . . 4791 1 870 . 1 1 73 73 LEU HD13 H 1 0.19 . . 4 . . . . . . . . 4791 1 871 . 1 1 73 73 LEU CD2 C 13 22.2 . . 2 . . . . . . . . 4791 1 872 . 1 1 73 73 LEU HD21 H 1 0.75 . . 4 . . . . . . . . 4791 1 873 . 1 1 73 73 LEU HD22 H 1 0.75 . . 4 . . . . . . . . 4791 1 874 . 1 1 73 73 LEU HD23 H 1 0.75 . . 4 . . . . . . . . 4791 1 875 . 1 1 73 73 LEU C C 13 176.08 . . 1 . . . . . . . . 4791 1 876 . 1 1 74 74 ASP N N 15 122.949 . . 1 . . . . . . . . 4791 1 877 . 1 1 74 74 ASP H H 1 8.605 . . 1 . . . . . . . . 4791 1 878 . 1 1 74 74 ASP CA C 13 53.19 . . 1 . . . . . . . . 4791 1 879 . 1 1 74 74 ASP HA H 1 4.8 . . 1 . . . . . . . . 4791 1 880 . 1 1 74 74 ASP CB C 13 42.83 . . 1 . . . . . . . . 4791 1 881 . 1 1 74 74 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4791 1 882 . 1 1 74 74 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 4791 1 883 . 1 1 74 74 ASP C C 13 177.03 . . 1 . . . . . . . . 4791 1 884 . 1 1 75 75 VAL N N 15 123.131 . . 1 . . . . . . . . 4791 1 885 . 1 1 75 75 VAL H H 1 8.491 . . 1 . . . . . . . . 4791 1 886 . 1 1 75 75 VAL CA C 13 63.9 . . 1 . . . . . . . . 4791 1 887 . 1 1 75 75 VAL HA H 1 3.78 . . 1 . . . . . . . . 4791 1 888 . 1 1 75 75 VAL CB C 13 31.53 . . 1 . . . . . . . . 4791 1 889 . 1 1 75 75 VAL HB H 1 2.16 . . 1 . . . . . . . . 4791 1 890 . 1 1 75 75 VAL CG2 C 13 20.99 . . 2 . . . . . . . . 4791 1 891 . 1 1 75 75 VAL HG21 H 1 0.95 . . 4 . . . . . . . . 4791 1 892 . 1 1 75 75 VAL HG22 H 1 0.95 . . 4 . . . . . . . . 4791 1 893 . 1 1 75 75 VAL HG23 H 1 0.95 . . 4 . . . . . . . . 4791 1 894 . 1 1 75 75 VAL CG1 C 13 19.78 . . 2 . . . . . . . . 4791 1 895 . 1 1 75 75 VAL HG11 H 1 0.95 . . 4 . . . . . . . . 4791 1 896 . 1 1 75 75 VAL HG12 H 1 0.95 . . 4 . . . . . . . . 4791 1 897 . 1 1 75 75 VAL HG13 H 1 0.95 . . 4 . . . . . . . . 4791 1 898 . 1 1 75 75 VAL C C 13 176.972 . . 1 . . . . . . . . 4791 1 899 . 1 1 76 76 SER N N 15 118.029 . . 1 . . . . . . . . 4791 1 900 . 1 1 76 76 SER H H 1 8.682 . . 1 . . . . . . . . 4791 1 901 . 1 1 76 76 SER CA C 13 59.78 . . 1 . . . . . . . . 4791 1 902 . 1 1 76 76 SER HA H 1 4.23 . . 1 . . . . . . . . 4791 1 903 . 1 1 76 76 SER CB C 13 62.25 . . 1 . . . . . . . . 4791 1 904 . 1 1 76 76 SER HB2 H 1 3.93 . . 1 . . . . . . . . 4791 1 905 . 1 1 76 76 SER HB3 H 1 3.93 . . 1 . . . . . . . . 4791 1 906 . 1 1 76 76 SER C C 13 175.303 . . 1 . . . . . . . . 4791 1 907 . 1 1 77 77 VAL N N 15 117.45 . . 1 . . . . . . . . 4791 1 908 . 1 1 77 77 VAL H H 1 7.82 . . 1 . . . . . . . . 4791 1 909 . 1 1 77 77 VAL CA C 13 62.95 . . 1 . . . . . . . . 4791 1 910 . 1 1 77 77 VAL HA H 1 4.06 . . 1 . . . . . . . . 4791 1 911 . 1 1 77 77 VAL CB C 13 31.4 . . 1 . . . . . . . . 4791 1 912 . 1 1 77 77 VAL HB H 1 2.38 . . 1 . . . . . . . . 4791 1 913 . 1 1 77 77 VAL CG2 C 13 19.27 . . 2 . . . . . . . . 4791 1 914 . 1 1 77 77 VAL HG21 H 1 1.15 . . 4 . . . . . . . . 4791 1 915 . 1 1 77 77 VAL HG22 H 1 1.15 . . 4 . . . . . . . . 4791 1 916 . 1 1 77 77 VAL HG23 H 1 1.15 . . 4 . . . . . . . . 4791 1 917 . 1 1 77 77 VAL CG1 C 13 20.99 . . 2 . . . . . . . . 4791 1 918 . 1 1 77 77 VAL HG11 H 1 1.16 . . 4 . . . . . . . . 4791 1 919 . 1 1 77 77 VAL HG12 H 1 1.16 . . 4 . . . . . . . . 4791 1 920 . 1 1 77 77 VAL HG13 H 1 1.16 . . 4 . . . . . . . . 4791 1 921 . 1 1 77 77 VAL C C 13 176.099 . . 1 . . . . . . . . 4791 1 922 . 1 1 78 78 ILE N N 15 121.291 . . 1 . . . . . . . . 4791 1 923 . 1 1 78 78 ILE H H 1 7.534 . . 1 . . . . . . . . 4791 1 924 . 1 1 78 78 ILE CA C 13 58.6 . . 1 . . . . . . . . 4791 1 925 . 1 1 78 78 ILE HA H 1 4 . . 1 . . . . . . . . 4791 1 926 . 1 1 78 78 ILE CB C 13 37.76 . . 1 . . . . . . . . 4791 1 927 . 1 1 78 78 ILE HB H 1 1.6 . . 1 . . . . . . . . 4791 1 928 . 1 1 78 78 ILE CG1 C 13 27.16 . . 2 . . . . . . . . 4791 1 929 . 1 1 78 78 ILE HG12 H 1 1.32 . . 1 . . . . . . . . 4791 1 930 . 1 1 78 78 ILE HG13 H 1 0.44 . . 9 . . . . . . . . 4791 1 931 . 1 1 78 78 ILE CD1 C 13 13.09 . . 1 . . . . . . . . 4791 1 932 . 1 1 78 78 ILE HD11 H 1 -0.002 . . 1 . . . . . . . . 4791 1 933 . 1 1 78 78 ILE HD12 H 1 -0.002 . . 1 . . . . . . . . 4791 1 934 . 1 1 78 78 ILE HD13 H 1 -0.002 . . 1 . . . . . . . . 4791 1 935 . 1 1 78 78 ILE CG2 C 13 16.1 . . 2 . . . . . . . . 4791 1 936 . 1 1 78 78 ILE HG21 H 1 0.31 . . 4 . . . . . . . . 4791 1 937 . 1 1 78 78 ILE HG22 H 1 0.31 . . 4 . . . . . . . . 4791 1 938 . 1 1 78 78 ILE HG23 H 1 0.31 . . 4 . . . . . . . . 4791 1 939 . 1 1 79 79 PRO CA C 13 61.81 . . 1 . . . . . . . . 4791 1 940 . 1 1 79 79 PRO HA H 1 4.61 . . 1 . . . . . . . . 4791 1 941 . 1 1 79 79 PRO CB C 13 31.43 . . 1 . . . . . . . . 4791 1 942 . 1 1 79 79 PRO HB2 H 1 2.345 . . 2 . . . . . . . . 4791 1 943 . 1 1 79 79 PRO HB3 H 1 2.05 . . 2 . . . . . . . . 4791 1 944 . 1 1 79 79 PRO CG C 13 27.56 . . 1 . . . . . . . . 4791 1 945 . 1 1 79 79 PRO HG2 H 1 2.06 . . 2 . . . . . . . . 4791 1 946 . 1 1 79 79 PRO HG3 H 1 1.9 . . 2 . . . . . . . . 4791 1 947 . 1 1 79 79 PRO CD C 13 50.92 . . 1 . . . . . . . . 4791 1 948 . 1 1 79 79 PRO HD2 H 1 4.24 . . 2 . . . . . . . . 4791 1 949 . 1 1 79 79 PRO HD3 H 1 3.5 . . 2 . . . . . . . . 4791 1 950 . 1 1 79 79 PRO C C 13 179 . . 1 . . . . . . . . 4791 1 951 . 1 1 80 80 THR N N 15 117.705 . . 1 . . . . . . . . 4791 1 952 . 1 1 80 80 THR H H 1 8.778 . . 1 . . . . . . . . 4791 1 953 . 1 1 80 80 THR CA C 13 61.89 . . 1 . . . . . . . . 4791 1 954 . 1 1 80 80 THR HA H 1 3.89 . . 1 . . . . . . . . 4791 1 955 . 1 1 80 80 THR CB C 13 68.58 . . 1 . . . . . . . . 4791 1 956 . 1 1 80 80 THR HB H 1 4.23 . . 1 . . . . . . . . 4791 1 957 . 1 1 80 80 THR CG2 C 13 22.18 . . 1 . . . . . . . . 4791 1 958 . 1 1 80 80 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4791 1 959 . 1 1 80 80 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4791 1 960 . 1 1 80 80 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4791 1 961 . 1 1 80 80 THR C C 13 173.504 . . 1 . . . . . . . . 4791 1 962 . 1 1 81 81 ASN N N 15 117.216 . . 1 . . . . . . . . 4791 1 963 . 1 1 81 81 ASN H H 1 7.884 . . 1 . . . . . . . . 4791 1 964 . 1 1 81 81 ASN CA C 13 51.3 . . 1 . . . . . . . . 4791 1 965 . 1 1 81 81 ASN HA H 1 4.83 . . 1 . . . . . . . . 4791 1 966 . 1 1 81 81 ASN CB C 13 42.41 . . 1 . . . . . . . . 4791 1 967 . 1 1 81 81 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 4791 1 968 . 1 1 81 81 ASN HB3 H 1 2.65 . . 2 . . . . . . . . 4791 1 969 . 1 1 81 81 ASN ND2 N 15 114.1 . . 1 . . . . . . . . 4791 1 970 . 1 1 81 81 ASN HD21 H 1 6.87 . . 2 . . . . . . . . 4791 1 971 . 1 1 81 81 ASN HD22 H 1 7.44 . . 2 . . . . . . . . 4791 1 972 . 1 1 81 81 ASN C C 13 174.81 . . 1 . . . . . . . . 4791 1 973 . 1 1 82 82 GLY N N 15 108.362 . . 1 . . . . . . . . 4791 1 974 . 1 1 82 82 GLY H H 1 8.479 . . 1 . . . . . . . . 4791 1 975 . 1 1 82 82 GLY CA C 13 43.65 . . 1 . . . . . . . . 4791 1 976 . 1 1 82 82 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 4791 1 977 . 1 1 82 82 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 4791 1 978 . 1 1 82 82 GLY C C 13 172.554 . . 1 . . . . . . . . 4791 1 979 . 1 1 83 83 ASP N N 15 118.609 . . 1 . . . . . . . . 4791 1 980 . 1 1 83 83 ASP H H 1 8.193 . . 1 . . . . . . . . 4791 1 981 . 1 1 83 83 ASP CA C 13 54.83 . . 1 . . . . . . . . 4791 1 982 . 1 1 83 83 ASP HA H 1 4.24 . . 1 . . . . . . . . 4791 1 983 . 1 1 83 83 ASP CB C 13 40.35 . . 1 . . . . . . . . 4791 1 984 . 1 1 83 83 ASP HB2 H 1 2.58 . . 2 . . . . . . . . 4791 1 985 . 1 1 83 83 ASP HB3 H 1 2.8 . . 2 . . . . . . . . 4791 1 986 . 1 1 83 83 ASP C C 13 176.844 . . 1 . . . . . . . . 4791 1 987 . 1 1 84 84 VAL N N 15 120.609 . . 1 . . . . . . . . 4791 1 988 . 1 1 84 84 VAL H H 1 8.304 . . 1 . . . . . . . . 4791 1 989 . 1 1 84 84 VAL CA C 13 60.83 . . 1 . . . . . . . . 4791 1 990 . 1 1 84 84 VAL HA H 1 4.78 . . 1 . . . . . . . . 4791 1 991 . 1 1 84 84 VAL CB C 13 33.06 . . 1 . . . . . . . . 4791 1 992 . 1 1 84 84 VAL HB H 1 2.23 . . 1 . . . . . . . . 4791 1 993 . 1 1 84 84 VAL CG2 C 13 22.14 . . 2 . . . . . . . . 4791 1 994 . 1 1 84 84 VAL HG21 H 1 0.93 . . 4 . . . . . . . . 4791 1 995 . 1 1 84 84 VAL HG22 H 1 0.93 . . 4 . . . . . . . . 4791 1 996 . 1 1 84 84 VAL HG23 H 1 0.93 . . 4 . . . . . . . . 4791 1 997 . 1 1 84 84 VAL CG1 C 13 18.23 . . 2 . . . . . . . . 4791 1 998 . 1 1 84 84 VAL HG11 H 1 0.82 . . 4 . . . . . . . . 4791 1 999 . 1 1 84 84 VAL HG12 H 1 0.82 . . 4 . . . . . . . . 4791 1 1000 . 1 1 84 84 VAL HG13 H 1 0.82 . . 4 . . . . . . . . 4791 1 1001 . 1 1 84 84 VAL C C 13 174.89 . . 1 . . . . . . . . 4791 1 1002 . 1 1 85 85 VAL N N 15 126.062 . . 1 . . . . . . . . 4791 1 1003 . 1 1 85 85 VAL H H 1 8.374 . . 1 . . . . . . . . 4791 1 1004 . 1 1 85 85 VAL CA C 13 60.6 . . 1 . . . . . . . . 4791 1 1005 . 1 1 85 85 VAL HA H 1 4.89 . . 1 . . . . . . . . 4791 1 1006 . 1 1 85 85 VAL CB C 13 33.18 . . 1 . . . . . . . . 4791 1 1007 . 1 1 85 85 VAL HB H 1 1.63 . . 1 . . . . . . . . 4791 1 1008 . 1 1 85 85 VAL CG2 C 13 23.97 . . 2 . . . . . . . . 4791 1 1009 . 1 1 85 85 VAL HG21 H 1 0.98 . . 4 . . . . . . . . 4791 1 1010 . 1 1 85 85 VAL HG22 H 1 0.98 . . 4 . . . . . . . . 4791 1 1011 . 1 1 85 85 VAL HG23 H 1 0.98 . . 4 . . . . . . . . 4791 1 1012 . 1 1 85 85 VAL CG1 C 13 20.92 . . 2 . . . . . . . . 4791 1 1013 . 1 1 85 85 VAL HG11 H 1 0.63 . . 4 . . . . . . . . 4791 1 1014 . 1 1 85 85 VAL HG12 H 1 0.63 . . 4 . . . . . . . . 4791 1 1015 . 1 1 85 85 VAL HG13 H 1 0.63 . . 4 . . . . . . . . 4791 1 1016 . 1 1 85 85 VAL C C 13 174.77 . . 1 . . . . . . . . 4791 1 1017 . 1 1 86 86 VAL N N 15 129.239 . . 1 . . . . . . . . 4791 1 1018 . 1 1 86 86 VAL H H 1 9.208 . . 1 . . . . . . . . 4791 1 1019 . 1 1 86 86 VAL CA C 13 60.1 . . 1 . . . . . . . . 4791 1 1020 . 1 1 86 86 VAL HA H 1 4.59 . . 1 . . . . . . . . 4791 1 1021 . 1 1 86 86 VAL CB C 13 31.45 . . 1 . . . . . . . . 4791 1 1022 . 1 1 86 86 VAL HB H 1 1.71 . . 1 . . . . . . . . 4791 1 1023 . 1 1 86 86 VAL CG2 C 13 23.38 . . 2 . . . . . . . . 4791 1 1024 . 1 1 86 86 VAL HG21 H 1 0.92 . . 4 . . . . . . . . 4791 1 1025 . 1 1 86 86 VAL HG22 H 1 0.92 . . 4 . . . . . . . . 4791 1 1026 . 1 1 86 86 VAL HG23 H 1 0.92 . . 4 . . . . . . . . 4791 1 1027 . 1 1 86 86 VAL CG1 C 13 20.92 . . 2 . . . . . . . . 4791 1 1028 . 1 1 86 86 VAL HG11 H 1 0.59 . . 4 . . . . . . . . 4791 1 1029 . 1 1 86 86 VAL HG12 H 1 0.59 . . 4 . . . . . . . . 4791 1 1030 . 1 1 86 86 VAL HG13 H 1 0.59 . . 4 . . . . . . . . 4791 1 1031 . 1 1 86 86 VAL C C 13 173.53 . . 1 . . . . . . . . 4791 1 1032 . 1 1 87 87 VAL N N 15 129.577 . . 1 . . . . . . . . 4791 1 1033 . 1 1 87 87 VAL H H 1 8.994 . . 1 . . . . . . . . 4791 1 1034 . 1 1 87 87 VAL CA C 13 60.36 . . 1 . . . . . . . . 4791 1 1035 . 1 1 87 87 VAL HA H 1 4.91 . . 1 . . . . . . . . 4791 1 1036 . 1 1 87 87 VAL CB C 13 31.64 . . 1 . . . . . . . . 4791 1 1037 . 1 1 87 87 VAL HB H 1 2.05 . . 1 . . . . . . . . 4791 1 1038 . 1 1 87 87 VAL CG2 C 13 20.17 . . 2 . . . . . . . . 4791 1 1039 . 1 1 87 87 VAL HG21 H 1 0.69 . . 4 . . . . . . . . 4791 1 1040 . 1 1 87 87 VAL HG22 H 1 0.69 . . 4 . . . . . . . . 4791 1 1041 . 1 1 87 87 VAL HG23 H 1 0.69 . . 4 . . . . . . . . 4791 1 1042 . 1 1 87 87 VAL CG1 C 13 26.46 . . 2 . . . . . . . . 4791 1 1043 . 1 1 87 87 VAL HG11 H 1 1.24 . . 4 . . . . . . . . 4791 1 1044 . 1 1 87 87 VAL HG12 H 1 1.24 . . 4 . . . . . . . . 4791 1 1045 . 1 1 87 87 VAL HG13 H 1 1.24 . . 4 . . . . . . . . 4791 1 1046 . 1 1 87 87 VAL C C 13 174.5 . . 1 . . . . . . . . 4791 1 1047 . 1 1 88 88 ALA N N 15 129.682 . . 1 . . . . . . . . 4791 1 1048 . 1 1 88 88 ALA H H 1 9.39 . . 1 . . . . . . . . 4791 1 1049 . 1 1 88 88 ALA CA C 13 50.48 . . 1 . . . . . . . . 4791 1 1050 . 1 1 88 88 ALA HA H 1 6.31 . . 1 . . . . . . . . 4791 1 1051 . 1 1 88 88 ALA CB C 13 26 . . 1 . . . . . . . . 4791 1 1052 . 1 1 88 88 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4791 1 1053 . 1 1 88 88 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4791 1 1054 . 1 1 88 88 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4791 1 1055 . 1 1 88 88 ALA C C 13 177.461 . . 1 . . . . . . . . 4791 1 1056 . 1 1 89 89 THR N N 15 105.87 . . 1 . . . . . . . . 4791 1 1057 . 1 1 89 89 THR H H 1 7.423 . . 1 . . . . . . . . 4791 1 1058 . 1 1 89 89 THR CA C 13 59.07 . . 1 . . . . . . . . 4791 1 1059 . 1 1 89 89 THR HA H 1 5.18 . . 1 . . . . . . . . 4791 1 1060 . 1 1 89 89 THR CB C 13 70.14 . . 1 . . . . . . . . 4791 1 1061 . 1 1 89 89 THR HB H 1 4.82 . . 1 . . . . . . . . 4791 1 1062 . 1 1 89 89 THR HG21 H 1 1.07 . . 1 . . . . . . . . 4791 1 1063 . 1 1 89 89 THR HG22 H 1 1.07 . . 1 . . . . . . . . 4791 1 1064 . 1 1 89 89 THR HG23 H 1 1.07 . . 1 . . . . . . . . 4791 1 1065 . 1 1 90 90 ASP N N 15 117.2 . . 1 . . . . . . . . 4791 1 1066 . 1 1 90 90 ASP H H 1 8.81 . . 1 . . . . . . . . 4791 1 1067 . 1 1 90 90 ASP CA C 13 56 . . 1 . . . . . . . . 4791 1 1068 . 1 1 90 90 ASP HA H 1 4.71 . . 1 . . . . . . . . 4791 1 1069 . 1 1 90 90 ASP CB C 13 41.5 . . 1 . . . . . . . . 4791 1 1070 . 1 1 90 90 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4791 1 1071 . 1 1 90 90 ASP HB3 H 1 2.66 . . 1 . . . . . . . . 4791 1 1072 . 1 1 90 90 ASP C C 13 177.204 . . 1 . . . . . . . . 4791 1 1073 . 1 1 91 91 ALA N N 15 123.377 . . 1 . . . . . . . . 4791 1 1074 . 1 1 91 91 ALA H H 1 8.147 . . 1 . . . . . . . . 4791 1 1075 . 1 1 91 91 ALA CA C 13 53.42 . . 1 . . . . . . . . 4791 1 1076 . 1 1 91 91 ALA HA H 1 4.23 . . 1 . . . . . . . . 4791 1 1077 . 1 1 91 91 ALA CB C 13 18.46 . . 1 . . . . . . . . 4791 1 1078 . 1 1 91 91 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4791 1 1079 . 1 1 91 91 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4791 1 1080 . 1 1 91 91 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4791 1 1081 . 1 1 91 91 ALA C C 13 178.822 . . 1 . . . . . . . . 4791 1 1082 . 1 1 92 92 LEU N N 15 118.194 . . 1 . . . . . . . . 4791 1 1083 . 1 1 92 92 LEU H H 1 8.098 . . 1 . . . . . . . . 4791 1 1084 . 1 1 92 92 LEU CA C 13 56.6 . . 1 . . . . . . . . 4791 1 1085 . 1 1 92 92 LEU HA H 1 4.04 . . 1 . . . . . . . . 4791 1 1086 . 1 1 92 92 LEU CB C 13 42.12 . . 1 . . . . . . . . 4791 1 1087 . 1 1 92 92 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 4791 1 1088 . 1 1 92 92 LEU CG C 13 25.25 . . 1 . . . . . . . . 4791 1 1089 . 1 1 92 92 LEU CD1 C 13 24.47 . . 2 . . . . . . . . 4791 1 1090 . 1 1 92 92 LEU HD11 H 1 0.65 . . 4 . . . . . . . . 4791 1 1091 . 1 1 92 92 LEU HD12 H 1 0.65 . . 4 . . . . . . . . 4791 1 1092 . 1 1 92 92 LEU HD13 H 1 0.65 . . 4 . . . . . . . . 4791 1 1093 . 1 1 92 92 LEU CD2 C 13 25.5 . . 2 . . . . . . . . 4791 1 1094 . 1 1 92 92 LEU HD21 H 1 0.81 . . 4 . . . . . . . . 4791 1 1095 . 1 1 92 92 LEU HD22 H 1 0.81 . . 4 . . . . . . . . 4791 1 1096 . 1 1 92 92 LEU HD23 H 1 0.81 . . 4 . . . . . . . . 4791 1 1097 . 1 1 92 92 LEU C C 13 173.993 . . 1 . . . . . . . . 4791 1 1098 . 1 1 93 93 MET N N 15 115.338 . . 1 . . . . . . . . 4791 1 1099 . 1 1 93 93 MET H H 1 8.029 . . 1 . . . . . . . . 4791 1 1100 . 1 1 93 93 MET CA C 13 56.4 . . 1 . . . . . . . . 4791 1 1101 . 1 1 93 93 MET HA H 1 4.36 . . 1 . . . . . . . . 4791 1 1102 . 1 1 93 93 MET CB C 13 31.03 . . 1 . . . . . . . . 4791 1 1103 . 1 1 93 93 MET HB2 H 1 2.17 . . 2 . . . . . . . . 4791 1 1104 . 1 1 93 93 MET HB3 H 1 2.25 . . 2 . . . . . . . . 4791 1 1105 . 1 1 93 93 MET CG C 13 33.1 . . 1 . . . . . . . . 4791 1 1106 . 1 1 93 93 MET HG2 H 1 2.77 . . 2 . . . . . . . . 4791 1 1107 . 1 1 93 93 MET HG3 H 1 2.6 . . 2 . . . . . . . . 4791 1 1108 . 1 1 93 93 MET CE C 13 16.75 . . 1 . . . . . . . . 4791 1 1109 . 1 1 93 93 MET HE1 H 1 1.96 . . 1 . . . . . . . . 4791 1 1110 . 1 1 93 93 MET HE2 H 1 1.96 . . 1 . . . . . . . . 4791 1 1111 . 1 1 93 93 MET HE3 H 1 1.96 . . 1 . . . . . . . . 4791 1 1112 . 1 1 94 94 THR N N 15 109.996 . . 1 . . . . . . . . 4791 1 1113 . 1 1 94 94 THR H H 1 7.673 . . 1 . . . . . . . . 4791 1 1114 . 1 1 94 94 THR CA C 13 62.48 . . 1 . . . . . . . . 4791 1 1115 . 1 1 94 94 THR HA H 1 4.25 . . 1 . . . . . . . . 4791 1 1116 . 1 1 94 94 THR CB C 13 68.62 . . 1 . . . . . . . . 4791 1 1117 . 1 1 94 94 THR HB H 1 4.26 . . 1 . . . . . . . . 4791 1 1118 . 1 1 94 94 THR CG2 C 13 21.46 . . 1 . . . . . . . . 4791 1 1119 . 1 1 94 94 THR HG21 H 1 1.21 . . 1 . . . . . . . . 4791 1 1120 . 1 1 94 94 THR HG22 H 1 1.21 . . 1 . . . . . . . . 4791 1 1121 . 1 1 94 94 THR HG23 H 1 1.21 . . 1 . . . . . . . . 4791 1 1122 . 1 1 94 94 THR C C 13 175.534 . . 1 . . . . . . . . 4791 1 1123 . 1 1 95 95 GLY N N 15 109.314 . . 1 . . . . . . . . 4791 1 1124 . 1 1 95 95 GLY H H 1 8.064 . . 1 . . . . . . . . 4791 1 1125 . 1 1 95 95 GLY CA C 13 45.26 . . 1 . . . . . . . . 4791 1 1126 . 1 1 95 95 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 4791 1 1127 . 1 1 95 95 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 4791 1 1128 . 1 1 95 95 GLY C C 13 172.991 . . 1 . . . . . . . . 4791 1 1129 . 1 1 96 96 PHE N N 15 120.602 . . 1 . . . . . . . . 4791 1 1130 . 1 1 96 96 PHE H H 1 7.977 . . 1 . . . . . . . . 4791 1 1131 . 1 1 96 96 PHE CA C 13 56.83 . . 1 . . . . . . . . 4791 1 1132 . 1 1 96 96 PHE HA H 1 4.85 . . 1 . . . . . . . . 4791 1 1133 . 1 1 96 96 PHE CB C 13 41.18 . . 1 . . . . . . . . 4791 1 1134 . 1 1 96 96 PHE HB2 H 1 2.95 . . 2 . . . . . . . . 4791 1 1135 . 1 1 96 96 PHE HB3 H 1 2.74 . . 2 . . . . . . . . 4791 1 1136 . 1 1 96 96 PHE CD1 C 13 132.1 . . 1 . . . . . . . . 4791 1 1137 . 1 1 96 96 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 4791 1 1138 . 1 1 96 96 PHE HE1 H 1 7.05 . . 1 . . . . . . . . 4791 1 1139 . 1 1 96 96 PHE CZ C 13 134 . . 1 . . . . . . . . 4791 1 1140 . 1 1 96 96 PHE HZ H 1 7 . . 1 . . . . . . . . 4791 1 1141 . 1 1 96 96 PHE HE2 H 1 7.05 . . 1 . . . . . . . . 4791 1 1142 . 1 1 96 96 PHE CD2 C 13 132.1 . . 1 . . . . . . . . 4791 1 1143 . 1 1 96 96 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 4791 1 1144 . 1 1 96 96 PHE C C 13 175.534 . . 1 . . . . . . . . 4791 1 1145 . 1 1 97 97 THR N N 15 108.76 . . 1 . . . . . . . . 4791 1 1146 . 1 1 97 97 THR H H 1 8.127 . . 1 . . . . . . . . 4791 1 1147 . 1 1 97 97 THR CA C 13 61.68 . . 1 . . . . . . . . 4791 1 1148 . 1 1 97 97 THR HA H 1 4.2 . . 1 . . . . . . . . 4791 1 1149 . 1 1 97 97 THR CB C 13 68.72 . . 1 . . . . . . . . 4791 1 1150 . 1 1 97 97 THR HB H 1 4.13 . . 1 . . . . . . . . 4791 1 1151 . 1 1 97 97 THR CG2 C 13 20.71 . . 1 . . . . . . . . 4791 1 1152 . 1 1 97 97 THR HG21 H 1 1.01 . . 1 . . . . . . . . 4791 1 1153 . 1 1 97 97 THR HG22 H 1 1.01 . . 1 . . . . . . . . 4791 1 1154 . 1 1 97 97 THR HG23 H 1 1.01 . . 1 . . . . . . . . 4791 1 1155 . 1 1 97 97 THR C C 13 173.787 . . 1 . . . . . . . . 4791 1 1156 . 1 1 98 98 GLY N N 15 109.057 . . 1 . . . . . . . . 4791 1 1157 . 1 1 98 98 GLY H H 1 6.352 . . 1 . . . . . . . . 4791 1 1158 . 1 1 98 98 GLY CA C 13 44.71 . . 1 . . . . . . . . 4791 1 1159 . 1 1 98 98 GLY HA2 H 1 3.64 . . 2 . . . . . . . . 4791 1 1160 . 1 1 98 98 GLY HA3 H 1 3.34 . . 2 . . . . . . . . 4791 1 1161 . 1 1 98 98 GLY C C 13 171.244 . . 1 . . . . . . . . 4791 1 1162 . 1 1 99 99 ASP N N 15 118.543 . . 1 . . . . . . . . 4791 1 1163 . 1 1 99 99 ASP H H 1 7.954 . . 1 . . . . . . . . 4791 1 1164 . 1 1 99 99 ASP CA C 13 52.71 . . 1 . . . . . . . . 4791 1 1165 . 1 1 99 99 ASP HA H 1 4.93 . . 1 . . . . . . . . 4791 1 1166 . 1 1 99 99 ASP CB C 13 42.7 . . 1 . . . . . . . . 4791 1 1167 . 1 1 99 99 ASP HB2 H 1 2.53 . . 2 . . . . . . . . 4791 1 1168 . 1 1 99 99 ASP HB3 H 1 2.43 . . 2 . . . . . . . . 4791 1 1169 . 1 1 99 99 ASP C C 13 175.51 . . 1 . . . . . . . . 4791 1 1170 . 1 1 100 100 PHE N N 15 117.267 . . 1 . . . . . . . . 4791 1 1171 . 1 1 100 100 PHE H H 1 8.595 . . 1 . . . . . . . . 4791 1 1172 . 1 1 100 100 PHE CA C 13 58.01 . . 1 . . . . . . . . 4791 1 1173 . 1 1 100 100 PHE HA H 1 4.46 . . 1 . . . . . . . . 4791 1 1174 . 1 1 100 100 PHE CB C 13 42.47 . . 1 . . . . . . . . 4791 1 1175 . 1 1 100 100 PHE HB2 H 1 2.6 . . 2 . . . . . . . . 4791 1 1176 . 1 1 100 100 PHE HB3 H 1 3.34 . . 2 . . . . . . . . 4791 1 1177 . 1 1 100 100 PHE CD1 C 13 132.1 . . 1 . . . . . . . . 4791 1 1178 . 1 1 100 100 PHE HD1 H 1 7.09 . . 1 . . . . . . . . 4791 1 1179 . 1 1 100 100 PHE CE1 C 13 131.3 . . 2 . . . . . . . . 4791 1 1180 . 1 1 100 100 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 4791 1 1181 . 1 1 100 100 PHE CZ C 13 127.75 . . 1 . . . . . . . . 4791 1 1182 . 1 1 100 100 PHE HZ H 1 6.78 . . 1 . . . . . . . . 4791 1 1183 . 1 1 100 100 PHE CE2 C 13 131.32 . . 2 . . . . . . . . 4791 1 1184 . 1 1 100 100 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 4791 1 1185 . 1 1 100 100 PHE CD2 C 13 132.1 . . 1 . . . . . . . . 4791 1 1186 . 1 1 100 100 PHE HD2 H 1 7.09 . . 1 . . . . . . . . 4791 1 1187 . 1 1 100 100 PHE C C 13 175.77 . . 1 . . . . . . . . 4791 1 1188 . 1 1 101 101 ASP N N 15 124.711 . . 1 . . . . . . . . 4791 1 1189 . 1 1 101 101 ASP H H 1 9.506 . . 1 . . . . . . . . 4791 1 1190 . 1 1 101 101 ASP CA C 13 56.83 . . 1 . . . . . . . . 4791 1 1191 . 1 1 101 101 ASP HA H 1 4.5 . . 1 . . . . . . . . 4791 1 1192 . 1 1 101 101 ASP CB C 13 40.82 . . 1 . . . . . . . . 4791 1 1193 . 1 1 101 101 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 4791 1 1194 . 1 1 101 101 ASP HB3 H 1 2.8 . . 2 . . . . . . . . 4791 1 1195 . 1 1 101 101 ASP C C 13 176.459 . . 1 . . . . . . . . 4791 1 1196 . 1 1 102 102 SER N N 15 111.597 . . 1 . . . . . . . . 4791 1 1197 . 1 1 102 102 SER H H 1 7.78 . . 1 . . . . . . . . 4791 1 1198 . 1 1 102 102 SER CA C 13 57.42 . . 1 . . . . . . . . 4791 1 1199 . 1 1 102 102 SER HA H 1 5.67 . . 1 . . . . . . . . 4791 1 1200 . 1 1 102 102 SER CB C 13 65.9 . . 1 . . . . . . . . 4791 1 1201 . 1 1 102 102 SER HB2 H 1 3.84 . . 2 . . . . . . . . 4791 1 1202 . 1 1 102 102 SER HB3 H 1 4.12 . . 2 . . . . . . . . 4791 1 1203 . 1 1 102 102 SER C C 13 171.629 . . 1 . . . . . . . . 4791 1 1204 . 1 1 103 103 VAL N N 15 119.78 . . 1 . . . . . . . . 4791 1 1205 . 1 1 103 103 VAL H H 1 8.712 . . 1 . . . . . . . . 4791 1 1206 . 1 1 103 103 VAL CA C 13 59.79 . . 1 . . . . . . . . 4791 1 1207 . 1 1 103 103 VAL HA H 1 5.23 . . 1 . . . . . . . . 4791 1 1208 . 1 1 103 103 VAL CB C 13 37.17 . . 1 . . . . . . . . 4791 1 1209 . 1 1 103 103 VAL HB H 1 2.11 . . 1 . . . . . . . . 4791 1 1210 . 1 1 103 103 VAL CG2 C 13 22.9 . . 2 . . . . . . . . 4791 1 1211 . 1 1 103 103 VAL HG21 H 1 1.21 . . 4 . . . . . . . . 4791 1 1212 . 1 1 103 103 VAL HG22 H 1 1.21 . . 4 . . . . . . . . 4791 1 1213 . 1 1 103 103 VAL HG23 H 1 1.21 . . 4 . . . . . . . . 4791 1 1214 . 1 1 103 103 VAL CG1 C 13 21.32 . . 2 . . . . . . . . 4791 1 1215 . 1 1 103 103 VAL HG11 H 1 1.21 . . 4 . . . . . . . . 4791 1 1216 . 1 1 103 103 VAL HG12 H 1 1.21 . . 4 . . . . . . . . 4791 1 1217 . 1 1 103 103 VAL HG13 H 1 1.21 . . 4 . . . . . . . . 4791 1 1218 . 1 1 103 103 VAL C C 13 173.9 . . 1 . . . . . . . . 4791 1 1219 . 1 1 104 104 ILE N N 15 127.02 . . 1 . . . . . . . . 4791 1 1220 . 1 1 104 104 ILE H H 1 9.554 . . 1 . . . . . . . . 4791 1 1221 . 1 1 104 104 ILE CA C 13 60.01 . . 1 . . . . . . . . 4791 1 1222 . 1 1 104 104 ILE HA H 1 4.68 . . 1 . . . . . . . . 4791 1 1223 . 1 1 104 104 ILE CB C 13 38.24 . . 1 . . . . . . . . 4791 1 1224 . 1 1 104 104 ILE HB H 1 1.56 . . 1 . . . . . . . . 4791 1 1225 . 1 1 104 104 ILE CG1 C 13 26.73 . . 2 . . . . . . . . 4791 1 1226 . 1 1 104 104 ILE HG12 H 1 0.61 . . 1 . . . . . . . . 4791 1 1227 . 1 1 104 104 ILE HG13 H 1 1.51 . . 1 . . . . . . . . 4791 1 1228 . 1 1 104 104 ILE CD1 C 13 13.07 . . 1 . . . . . . . . 4791 1 1229 . 1 1 104 104 ILE HD11 H 1 0.46 . . 1 . . . . . . . . 4791 1 1230 . 1 1 104 104 ILE HD12 H 1 0.46 . . 1 . . . . . . . . 4791 1 1231 . 1 1 104 104 ILE HD13 H 1 0.46 . . 1 . . . . . . . . 4791 1 1232 . 1 1 104 104 ILE CG2 C 13 17.7 . . 2 . . . . . . . . 4791 1 1233 . 1 1 104 104 ILE HG21 H 1 0.294 . . 4 . . . . . . . . 4791 1 1234 . 1 1 104 104 ILE HG22 H 1 0.294 . . 4 . . . . . . . . 4791 1 1235 . 1 1 104 104 ILE HG23 H 1 0.294 . . 4 . . . . . . . . 4791 1 1236 . 1 1 104 104 ILE C C 13 173.76 . . 1 . . . . . . . . 4791 1 1237 . 1 1 105 105 ASP N N 15 127.296 . . 1 . . . . . . . . 4791 1 1238 . 1 1 105 105 ASP H H 1 8.852 . . 1 . . . . . . . . 4791 1 1239 . 1 1 105 105 ASP CA C 13 52.6 . . 1 . . . . . . . . 4791 1 1240 . 1 1 105 105 ASP HA H 1 5.24 . . 1 . . . . . . . . 4791 1 1241 . 1 1 105 105 ASP CB C 13 44.47 . . 1 . . . . . . . . 4791 1 1242 . 1 1 105 105 ASP HB2 H 1 2.6 . . 2 . . . . . . . . 4791 1 1243 . 1 1 105 105 ASP HB3 H 1 3.07 . . 2 . . . . . . . . 4791 1 1244 . 1 1 106 106 CYS N N 15 120.29 . . 1 . . . . . . . . 4791 1 1245 . 1 1 106 106 CYS H H 1 7.23 . . 1 . . . . . . . . 4791 1 1246 . 1 1 106 106 CYS CA C 13 57.73 . . 1 . . . . . . . . 4791 1 1247 . 1 1 106 106 CYS HA H 1 3.99 . . 1 . . . . . . . . 4791 1 1248 . 1 1 106 106 CYS CB C 13 27.7 . . 1 . . . . . . . . 4791 1 1249 . 1 1 106 106 CYS HB2 H 1 1.19 . . 2 . . . . . . . . 4791 1 1250 . 1 1 106 106 CYS HB3 H 1 2.57 . . 2 . . . . . . . . 4791 1 1251 . 1 1 106 106 CYS C C 13 174.07 . . 1 . . . . . . . . 4791 1 1252 . 1 1 107 107 ASN N N 15 115.176 . . 1 . . . . . . . . 4791 1 1253 . 1 1 107 107 ASN H H 1 9.149 . . 1 . . . . . . . . 4791 1 1254 . 1 1 107 107 ASN CA C 13 54.69 . . 1 . . . . . . . . 4791 1 1255 . 1 1 107 107 ASN HA H 1 3.99 . . 1 . . . . . . . . 4791 1 1256 . 1 1 107 107 ASN CB C 13 37.71 . . 1 . . . . . . . . 4791 1 1257 . 1 1 107 107 ASN HB2 H 1 2.63 . . 2 . . . . . . . . 4791 1 1258 . 1 1 107 107 ASN HB3 H 1 3.14 . . 2 . . . . . . . . 4791 1 1259 . 1 1 107 107 ASN ND2 N 15 108.93 . . 1 . . . . . . . . 4791 1 1260 . 1 1 107 107 ASN HD21 H 1 8.13 . . 2 . . . . . . . . 4791 1 1261 . 1 1 107 107 ASN HD22 H 1 6.31 . . 2 . . . . . . . . 4791 1 1262 . 1 1 107 107 ASN C C 13 173.222 . . 1 . . . . . . . . 4791 1 1263 . 1 1 108 108 THR N N 15 109.333 . . 1 . . . . . . . . 4791 1 1264 . 1 1 108 108 THR H H 1 7.352 . . 1 . . . . . . . . 4791 1 1265 . 1 1 108 108 THR CA C 13 60.34 . . 1 . . . . . . . . 4791 1 1266 . 1 1 108 108 THR HA H 1 4.5 . . 1 . . . . . . . . 4791 1 1267 . 1 1 108 108 THR CB C 13 69.6 . . 1 . . . . . . . . 4791 1 1268 . 1 1 108 108 THR HB H 1 3.9 . . 1 . . . . . . . . 4791 1 1269 . 1 1 108 108 THR CG2 C 13 19.95 . . 1 . . . . . . . . 4791 1 1270 . 1 1 108 108 THR HG21 H 1 0.82 . . 1 . . . . . . . . 4791 1 1271 . 1 1 108 108 THR HG22 H 1 0.82 . . 1 . . . . . . . . 4791 1 1272 . 1 1 108 108 THR HG23 H 1 0.82 . . 1 . . . . . . . . 4791 1 1273 . 1 1 108 108 THR C C 13 172.657 . . 1 . . . . . . . . 4791 1 1274 . 1 1 109 109 SER N N 15 118.843 . . 1 . . . . . . . . 4791 1 1275 . 1 1 109 109 SER H H 1 8.705 . . 1 . . . . . . . . 4791 1 1276 . 1 1 109 109 SER CA C 13 56.62 . . 1 . . . . . . . . 4791 1 1277 . 1 1 109 109 SER HA H 1 4.62 . . 1 . . . . . . . . 4791 1 1278 . 1 1 109 109 SER CB C 13 63.09 . . 1 . . . . . . . . 4791 1 1279 . 1 1 109 109 SER HB2 H 1 3.72 . . 2 . . . . . . . . 4791 1 1280 . 1 1 109 109 SER HB3 H 1 3.58 . . 2 . . . . . . . . 4791 1 1281 . 1 1 109 109 SER C C 13 174.25 . . 1 . . . . . . . . 4791 1 1282 . 1 1 110 110 ASP N N 15 124.657 . . 1 . . . . . . . . 4791 1 1283 . 1 1 110 110 ASP H H 1 8.948 . . 1 . . . . . . . . 4791 1 1284 . 1 1 110 110 ASP CA C 13 54.37 . . 1 . . . . . . . . 4791 1 1285 . 1 1 110 110 ASP HA H 1 4.55 . . 1 . . . . . . . . 4791 1 1286 . 1 1 110 110 ASP CB C 13 39.25 . . 1 . . . . . . . . 4791 1 1287 . 1 1 110 110 ASP HB2 H 1 2.95 . . 2 . . . . . . . . 4791 1 1288 . 1 1 110 110 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4791 1 1289 . 1 1 110 110 ASP C C 13 175.791 . . 1 . . . . . . . . 4791 1 1290 . 1 1 111 111 GLY N N 15 106.637 . . 1 . . . . . . . . 4791 1 1291 . 1 1 111 111 GLY H H 1 8.146 . . 1 . . . . . . . . 4791 1 1292 . 1 1 111 111 GLY CA C 13 45.01 . . 1 . . . . . . . . 4791 1 1293 . 1 1 111 111 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 4791 1 1294 . 1 1 111 111 GLY HA3 H 1 3.62 . . 2 . . . . . . . . 4791 1 1295 . 1 1 111 111 GLY C C 13 173.736 . . 1 . . . . . . . . 4791 1 1296 . 1 1 112 112 LYS N N 15 120.622 . . 1 . . . . . . . . 4791 1 1297 . 1 1 112 112 LYS H H 1 7.585 . . 1 . . . . . . . . 4791 1 1298 . 1 1 112 112 LYS CA C 13 53.45 . . 1 . . . . . . . . 4791 1 1299 . 1 1 112 112 LYS HA H 1 4.76 . . 1 . . . . . . . . 4791 1 1300 . 1 1 112 112 LYS CB C 13 32.16 . . 1 . . . . . . . . 4791 1 1301 . 1 1 112 112 LYS HB2 H 1 1.9 . . 2 . . . . . . . . 4791 1 1302 . 1 1 112 112 LYS HB3 H 1 1.69 . . 2 . . . . . . . . 4791 1 1303 . 1 1 112 112 LYS CG C 13 24.13 . . 1 . . . . . . . . 4791 1 1304 . 1 1 112 112 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 4791 1 1305 . 1 1 112 112 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 4791 1 1306 . 1 1 112 112 LYS CD C 13 28.6 . . 1 . . . . . . . . 4791 1 1307 . 1 1 112 112 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 4791 1 1308 . 1 1 112 112 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4791 1 1309 . 1 1 112 112 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 4791 1 1310 . 1 1 112 112 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4791 1 1311 . 1 1 113 113 PRO CA C 13 62.8 . . 1 . . . . . . . . 4791 1 1312 . 1 1 113 113 PRO HA H 1 4.4 . . 1 . . . . . . . . 4791 1 1313 . 1 1 113 113 PRO CB C 13 31.37 . . 1 . . . . . . . . 4791 1 1314 . 1 1 113 113 PRO HB2 H 1 2.29 . . 1 . . . . . . . . 4791 1 1315 . 1 1 113 113 PRO HB3 H 1 2.29 . . 1 . . . . . . . . 4791 1 1316 . 1 1 113 113 PRO CG C 13 27.28 . . 1 . . . . . . . . 4791 1 1317 . 1 1 113 113 PRO HG2 H 1 2.07 . . 2 . . . . . . . . 4791 1 1318 . 1 1 113 113 PRO HG3 H 1 1.93 . . 2 . . . . . . . . 4791 1 1319 . 1 1 113 113 PRO CD C 13 49.67 . . 1 . . . . . . . . 4791 1 1320 . 1 1 113 113 PRO HD2 H 1 3.78 . . 2 . . . . . . . . 4791 1 1321 . 1 1 113 113 PRO HD3 H 1 3.55 . . 2 . . . . . . . . 4791 1 1322 . 1 1 113 113 PRO C C 13 176.639 . . 1 . . . . . . . . 4791 1 1323 . 1 1 114 114 GLN N N 15 123.516 . . 1 . . . . . . . . 4791 1 1324 . 1 1 114 114 GLN H H 1 8.236 . . 1 . . . . . . . . 4791 1 1325 . 1 1 114 114 GLN CA C 13 55.1 . . 1 . . . . . . . . 4791 1 1326 . 1 1 114 114 GLN HA H 1 4.19 . . 1 . . . . . . . . 4791 1 1327 . 1 1 114 114 GLN CB C 13 30.1 . . 1 . . . . . . . . 4791 1 1328 . 1 1 114 114 GLN HB2 H 1 1.35 . . 2 . . . . . . . . 4791 1 1329 . 1 1 114 114 GLN HB3 H 1 1.74 . . 2 . . . . . . . . 4791 1 1330 . 1 1 114 114 GLN CG C 13 33.09 . . 1 . . . . . . . . 4791 1 1331 . 1 1 114 114 GLN HG2 H 1 2.29 . . 2 . . . . . . . . 4791 1 1332 . 1 1 114 114 GLN HG3 H 1 2.5 . . 2 . . . . . . . . 4791 1 1333 . 1 1 114 114 GLN C C 13 170.94 . . 1 . . . . . . . . 4791 1 1334 . 1 1 115 115 ASP N N 15 126.284 . . 1 . . . . . . . . 4791 1 1335 . 1 1 115 115 ASP H H 1 8.355 . . 1 . . . . . . . . 4791 1 1336 . 1 1 115 115 ASP CA C 13 52.01 . . 1 . . . . . . . . 4791 1 1337 . 1 1 115 115 ASP HA H 1 4.7 . . 1 . . . . . . . . 4791 1 1338 . 1 1 115 115 ASP CB C 13 41.31 . . 1 . . . . . . . . 4791 1 1339 . 1 1 115 115 ASP HB2 H 1 3.06 . . 2 . . . . . . . . 4791 1 1340 . 1 1 115 115 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 4791 1 1341 . 1 1 115 115 ASP C C 13 175.82 . . 1 . . . . . . . . 4791 1 1342 . 1 1 116 116 ALA N N 15 121.182 . . 1 . . . . . . . . 4791 1 1343 . 1 1 116 116 ALA H H 1 8.391 . . 1 . . . . . . . . 4791 1 1344 . 1 1 116 116 ALA CA C 13 54.58 . . 1 . . . . . . . . 4791 1 1345 . 1 1 116 116 ALA HA H 1 3.96 . . 1 . . . . . . . . 4791 1 1346 . 1 1 116 116 ALA CB C 13 18.07 . . 1 . . . . . . . . 4791 1 1347 . 1 1 116 116 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4791 1 1348 . 1 1 116 116 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4791 1 1349 . 1 1 116 116 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4791 1 1350 . 1 1 116 116 ALA C C 13 176.724 . . 1 . . . . . . . . 4791 1 1351 . 1 1 117 117 VAL N N 15 119.249 . . 1 . . . . . . . . 4791 1 1352 . 1 1 117 117 VAL H H 1 7.66 . . 1 . . . . . . . . 4791 1 1353 . 1 1 117 117 VAL CA C 13 65.49 . . 1 . . . . . . . . 4791 1 1354 . 1 1 117 117 VAL HA H 1 3.61 . . 1 . . . . . . . . 4791 1 1355 . 1 1 117 117 VAL CB C 13 30.82 . . 1 . . . . . . . . 4791 1 1356 . 1 1 117 117 VAL HB H 1 2.05 . . 1 . . . . . . . . 4791 1 1357 . 1 1 117 117 VAL CG2 C 13 22.15 . . 2 . . . . . . . . 4791 1 1358 . 1 1 117 117 VAL HG21 H 1 0.92 . . 4 . . . . . . . . 4791 1 1359 . 1 1 117 117 VAL HG22 H 1 0.92 . . 4 . . . . . . . . 4791 1 1360 . 1 1 117 117 VAL HG23 H 1 0.92 . . 4 . . . . . . . . 4791 1 1361 . 1 1 117 117 VAL CG1 C 13 20.6 . . 2 . . . . . . . . 4791 1 1362 . 1 1 117 117 VAL HG11 H 1 0.89 . . 4 . . . . . . . . 4791 1 1363 . 1 1 117 117 VAL HG12 H 1 0.89 . . 4 . . . . . . . . 4791 1 1364 . 1 1 117 117 VAL HG13 H 1 0.89 . . 4 . . . . . . . . 4791 1 1365 . 1 1 117 117 VAL C C 13 178.18 . . 1 . . . . . . . . 4791 1 1366 . 1 1 118 118 SER N N 15 116.495 . . 1 . . . . . . . . 4791 1 1367 . 1 1 118 118 SER H H 1 7.984 . . 1 . . . . . . . . 4791 1 1368 . 1 1 118 118 SER CA C 13 60.24 . . 1 . . . . . . . . 4791 1 1369 . 1 1 118 118 SER HA H 1 4.11 . . 1 . . . . . . . . 4791 1 1370 . 1 1 118 118 SER CB C 13 61.68 . . 1 . . . . . . . . 4791 1 1371 . 1 1 118 118 SER HB2 H 1 3.9 . . 2 . . . . . . . . 4791 1 1372 . 1 1 118 118 SER HB3 H 1 3.83 . . 2 . . . . . . . . 4791 1 1373 . 1 1 118 118 SER C C 13 176.484 . . 1 . . . . . . . . 4791 1 1374 . 1 1 119 119 ARG N N 15 120.565 . . 1 . . . . . . . . 4791 1 1375 . 1 1 119 119 ARG H H 1 7.941 . . 1 . . . . . . . . 4791 1 1376 . 1 1 119 119 ARG CA C 13 59.9 . . 1 . . . . . . . . 4791 1 1377 . 1 1 119 119 ARG HA H 1 3.97 . . 1 . . . . . . . . 4791 1 1378 . 1 1 119 119 ARG CB C 13 30.07 . . 1 . . . . . . . . 4791 1 1379 . 1 1 119 119 ARG HB2 H 1 1.6 . . 2 . . . . . . . . 4791 1 1380 . 1 1 119 119 ARG HB3 H 1 1.73 . . 2 . . . . . . . . 4791 1 1381 . 1 1 119 119 ARG CG C 13 27.17 . . 1 . . . . . . . . 4791 1 1382 . 1 1 119 119 ARG HG2 H 1 1.18 . . 1 . . . . . . . . 4791 1 1383 . 1 1 119 119 ARG HG3 H 1 1.18 . . 1 . . . . . . . . 4791 1 1384 . 1 1 119 119 ARG CD C 13 42.78 . . 1 . . . . . . . . 4791 1 1385 . 1 1 119 119 ARG HD2 H 1 2.86 . . 2 . . . . . . . . 4791 1 1386 . 1 1 119 119 ARG HD3 H 1 2.9 . . 2 . . . . . . . . 4791 1 1387 . 1 1 119 119 ARG NE N 15 86.07 . . 1 . . . . . . . . 4791 1 1388 . 1 1 119 119 ARG HE H 1 7.31 . . 1 . . . . . . . . 4791 1 1389 . 1 1 119 119 ARG C C 13 177.563 . . 1 . . . . . . . . 4791 1 1390 . 1 1 120 120 THR N N 15 112.855 . . 1 . . . . . . . . 4791 1 1391 . 1 1 120 120 THR H H 1 7.844 . . 1 . . . . . . . . 4791 1 1392 . 1 1 120 120 THR CA C 13 65.9 . . 1 . . . . . . . . 4791 1 1393 . 1 1 120 120 THR HA H 1 3.58 . . 1 . . . . . . . . 4791 1 1394 . 1 1 120 120 THR CB C 13 67.78 . . 1 . . . . . . . . 4791 1 1395 . 1 1 120 120 THR HB H 1 4.21 . . 1 . . . . . . . . 4791 1 1396 . 1 1 120 120 THR CG2 C 13 21.17 . . 1 . . . . . . . . 4791 1 1397 . 1 1 120 120 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4791 1 1398 . 1 1 120 120 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4791 1 1399 . 1 1 120 120 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4791 1 1400 . 1 1 120 120 THR C C 13 177.178 . . 1 . . . . . . . . 4791 1 1401 . 1 1 121 121 GLN N N 15 121.978 . . 1 . . . . . . . . 4791 1 1402 . 1 1 121 121 GLN H H 1 8.119 . . 1 . . . . . . . . 4791 1 1403 . 1 1 121 121 GLN CA C 13 58.13 . . 1 . . . . . . . . 4791 1 1404 . 1 1 121 121 GLN HA H 1 3.98 . . 1 . . . . . . . . 4791 1 1405 . 1 1 121 121 GLN CB C 13 27.52 . . 1 . . . . . . . . 4791 1 1406 . 1 1 121 121 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 4791 1 1407 . 1 1 121 121 GLN HB3 H 1 2.18 . . 2 . . . . . . . . 4791 1 1408 . 1 1 121 121 GLN CG C 13 33.65 . . 1 . . . . . . . . 4791 1 1409 . 1 1 121 121 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4791 1 1410 . 1 1 121 121 GLN HG3 H 1 2.52 . . 2 . . . . . . . . 4791 1 1411 . 1 1 121 121 GLN NE2 N 15 111.44 . . 1 . . . . . . . . 4791 1 1412 . 1 1 121 121 GLN HE21 H 1 6.77 . . 2 . . . . . . . . 4791 1 1413 . 1 1 121 121 GLN HE22 H 1 7.31 . . 2 . . . . . . . . 4791 1 1414 . 1 1 121 121 GLN C C 13 178.859 . . 1 . . . . . . . . 4791 1 1415 . 1 1 122 122 ARG N N 15 120.09 . . 1 . . . . . . . . 4791 1 1416 . 1 1 122 122 ARG H H 1 8.21 . . 1 . . . . . . . . 4791 1 1417 . 1 1 122 122 ARG CA C 13 60.65 . . 1 . . . . . . . . 4791 1 1418 . 1 1 122 122 ARG HA H 1 3.68 . . 1 . . . . . . . . 4791 1 1419 . 1 1 122 122 ARG CB C 13 30.07 . . 1 . . . . . . . . 4791 1 1420 . 1 1 122 122 ARG HB2 H 1 1.421 . . 2 . . . . . . . . 4791 1 1421 . 1 1 122 122 ARG HB3 H 1 1.42 . . 2 . . . . . . . . 4791 1 1422 . 1 1 122 122 ARG CG C 13 27.38 . . 1 . . . . . . . . 4791 1 1423 . 1 1 122 122 ARG HG2 H 1 1.66 . . 2 . . . . . . . . 4791 1 1424 . 1 1 122 122 ARG HG3 H 1 1.2 . . 2 . . . . . . . . 4791 1 1425 . 1 1 122 122 ARG CD C 13 43.85 . . 1 . . . . . . . . 4791 1 1426 . 1 1 122 122 ARG HD2 H 1 2.99 . . 1 . . . . . . . . 4791 1 1427 . 1 1 122 122 ARG HD3 H 1 2.99 . . 1 . . . . . . . . 4791 1 1428 . 1 1 122 122 ARG NE N 15 85.52 . . 1 . . . . . . . . 4791 1 1429 . 1 1 122 122 ARG HE H 1 6.48 . . 1 . . . . . . . . 4791 1 1430 . 1 1 122 122 ARG C C 13 177.717 . . 1 . . . . . . . . 4791 1 1431 . 1 1 123 123 ARG N N 15 118.08 . . 1 . . . . . . . . 4791 1 1432 . 1 1 123 123 ARG H H 1 8.045 . . 1 . . . . . . . . 4791 1 1433 . 1 1 123 123 ARG CA C 13 58.71 . . 1 . . . . . . . . 4791 1 1434 . 1 1 123 123 ARG HA H 1 3.63 . . 1 . . . . . . . . 4791 1 1435 . 1 1 123 123 ARG CB C 13 29.86 . . 1 . . . . . . . . 4791 1 1436 . 1 1 123 123 ARG HB2 H 1 0.72 . . 2 . . . . . . . . 4791 1 1437 . 1 1 123 123 ARG HB3 H 1 1.36 . . 2 . . . . . . . . 4791 1 1438 . 1 1 123 123 ARG CG C 13 26.3 . . 1 . . . . . . . . 4791 1 1439 . 1 1 123 123 ARG HG2 H 1 1.24 . . 2 . . . . . . . . 4791 1 1440 . 1 1 123 123 ARG HG3 H 1 0.86 . . 2 . . . . . . . . 4791 1 1441 . 1 1 123 123 ARG CD C 13 43.32 . . 1 . . . . . . . . 4791 1 1442 . 1 1 123 123 ARG HD2 H 1 2.63 . . 2 . . . . . . . . 4791 1 1443 . 1 1 123 123 ARG HD3 H 1 2.48 . . 2 . . . . . . . . 4791 1 1444 . 1 1 123 123 ARG NE N 15 84.23 . . 1 . . . . . . . . 4791 1 1445 . 1 1 123 123 ARG HE H 1 7.39 . . 1 . . . . . . . . 4791 1 1446 . 1 1 123 123 ARG C C 13 175.714 . . 1 . . . . . . . . 4791 1 1447 . 1 1 124 124 GLY N N 15 99.334 . . 1 . . . . . . . . 4791 1 1448 . 1 1 124 124 GLY H H 1 7.324 . . 1 . . . . . . . . 4791 1 1449 . 1 1 124 124 GLY CA C 13 45.06 . . 1 . . . . . . . . 4791 1 1450 . 1 1 124 124 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 4791 1 1451 . 1 1 124 124 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 4791 1 1452 . 1 1 124 124 GLY C C 13 174.994 . . 1 . . . . . . . . 4791 1 1453 . 1 1 125 125 ARG N N 15 117.764 . . 1 . . . . . . . . 4791 1 1454 . 1 1 125 125 ARG H H 1 7.438 . . 1 . . . . . . . . 4791 1 1455 . 1 1 125 125 ARG CA C 13 54.3 . . 1 . . . . . . . . 4791 1 1456 . 1 1 125 125 ARG HA H 1 4.59 . . 1 . . . . . . . . 4791 1 1457 . 1 1 125 125 ARG CB C 13 28.89 . . 1 . . . . . . . . 4791 1 1458 . 1 1 125 125 ARG HB2 H 1 2.3 . . 1 . . . . . . . . 4791 1 1459 . 1 1 125 125 ARG HB3 H 1 2.3 . . 1 . . . . . . . . 4791 1 1460 . 1 1 125 125 ARG CG C 13 26.31 . . 1 . . . . . . . . 4791 1 1461 . 1 1 125 125 ARG HG2 H 1 2.17 . . 2 . . . . . . . . 4791 1 1462 . 1 1 125 125 ARG HG3 H 1 1.85 . . 2 . . . . . . . . 4791 1 1463 . 1 1 125 125 ARG CD C 13 41.92 . . 1 . . . . . . . . 4791 1 1464 . 1 1 125 125 ARG HD2 H 1 3.33 . . 2 . . . . . . . . 4791 1 1465 . 1 1 125 125 ARG HD3 H 1 3.39 . . 2 . . . . . . . . 4791 1 1466 . 1 1 125 125 ARG NE N 15 84.516 . . 1 . . . . . . . . 4791 1 1467 . 1 1 125 125 ARG HE H 1 7.45 . . 1 . . . . . . . . 4791 1 1468 . 1 1 125 125 ARG C C 13 174.275 . . 1 . . . . . . . . 4791 1 1469 . 1 1 126 126 THR N N 15 114.056 . . 1 . . . . . . . . 4791 1 1470 . 1 1 126 126 THR H H 1 7.778 . . 1 . . . . . . . . 4791 1 1471 . 1 1 126 126 THR CA C 13 59.17 . . 1 . . . . . . . . 4791 1 1472 . 1 1 126 126 THR HA H 1 5.24 . . 1 . . . . . . . . 4791 1 1473 . 1 1 126 126 THR CB C 13 70.46 . . 1 . . . . . . . . 4791 1 1474 . 1 1 126 126 THR HB H 1 3.93 . . 1 . . . . . . . . 4791 1 1475 . 1 1 126 126 THR CG2 C 13 17.26 . . 1 . . . . . . . . 4791 1 1476 . 1 1 126 126 THR C C 13 172.58 . . 1 . . . . . . . . 4791 1 1477 . 1 1 127 127 GLY N N 15 109.978 . . 1 . . . . . . . . 4791 1 1478 . 1 1 127 127 GLY H H 1 8.385 . . 1 . . . . . . . . 4791 1 1479 . 1 1 127 127 GLY CA C 13 45.65 . . 1 . . . . . . . . 4791 1 1480 . 1 1 127 127 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 4791 1 1481 . 1 1 127 127 GLY HA3 H 1 4.3 . . 2 . . . . . . . . 4791 1 1482 . 1 1 127 127 GLY C C 13 175.35 . . 1 . . . . . . . . 4791 1 1483 . 1 1 128 128 ARG N N 15 120.678 . . 1 . . . . . . . . 4791 1 1484 . 1 1 128 128 ARG H H 1 8.514 . . 1 . . . . . . . . 4791 1 1485 . 1 1 128 128 ARG CA C 13 55.8 . . 1 . . . . . . . . 4791 1 1486 . 1 1 128 128 ARG HA H 1 4.3 . . 1 . . . . . . . . 4791 1 1487 . 1 1 128 128 ARG CB C 13 28.57 . . 1 . . . . . . . . 4791 1 1488 . 1 1 128 128 ARG HB2 H 1 1.73 . . 1 . . . . . . . . 4791 1 1489 . 1 1 128 128 ARG HB3 H 1 1.73 . . 1 . . . . . . . . 4791 1 1490 . 1 1 128 128 ARG CG C 13 26.52 . . 1 . . . . . . . . 4791 1 1491 . 1 1 128 128 ARG HG2 H 1 1.51 . . 2 . . . . . . . . 4791 1 1492 . 1 1 128 128 ARG HG3 H 1 1.49 . . 2 . . . . . . . . 4791 1 1493 . 1 1 128 128 ARG CD C 13 42.88 . . 1 . . . . . . . . 4791 1 1494 . 1 1 128 128 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 4791 1 1495 . 1 1 128 128 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 4791 1 1496 . 1 1 128 128 ARG NE N 15 84.85 . . 1 . . . . . . . . 4791 1 1497 . 1 1 128 128 ARG HE H 1 7.33 . . 1 . . . . . . . . 4791 1 1498 . 1 1 128 128 ARG C C 13 176.77 . . 1 . . . . . . . . 4791 1 1499 . 1 1 129 129 GLY N N 15 111.566 . . 1 . . . . . . . . 4791 1 1500 . 1 1 129 129 GLY H H 1 8.536 . . 1 . . . . . . . . 4791 1 1501 . 1 1 129 129 GLY CA C 13 45.06 . . 1 . . . . . . . . 4791 1 1502 . 1 1 129 129 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4791 1 1503 . 1 1 129 129 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4791 1 1504 . 1 1 129 129 GLY C C 13 172.657 . . 1 . . . . . . . . 4791 1 1505 . 1 1 130 130 LYS N N 15 119.155 . . 1 . . . . . . . . 4791 1 1506 . 1 1 130 130 LYS H H 1 7.577 . . 1 . . . . . . . . 4791 1 1507 . 1 1 130 130 LYS CA C 13 53.53 . . 1 . . . . . . . . 4791 1 1508 . 1 1 130 130 LYS HA H 1 4.63 . . 1 . . . . . . . . 4791 1 1509 . 1 1 130 130 LYS CB C 13 31.29 . . 1 . . . . . . . . 4791 1 1510 . 1 1 130 130 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 4791 1 1511 . 1 1 130 130 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 4791 1 1512 . 1 1 130 130 LYS CG C 13 22.64 . . 1 . . . . . . . . 4791 1 1513 . 1 1 130 130 LYS HG2 H 1 1.27 . . 1 . . . . . . . . 4791 1 1514 . 1 1 130 130 LYS HG3 H 1 1.27 . . 1 . . . . . . . . 4791 1 1515 . 1 1 130 130 LYS CD C 13 28.98 . . 1 . . . . . . . . 4791 1 1516 . 1 1 130 130 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 4791 1 1517 . 1 1 130 130 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 4791 1 1518 . 1 1 130 130 LYS CE C 13 41.5 . . 1 . . . . . . . . 4791 1 1519 . 1 1 130 130 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 4791 1 1520 . 1 1 130 130 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 4791 1 1521 . 1 1 131 131 PRO CA C 13 63.34 . . 1 . . . . . . . . 4791 1 1522 . 1 1 131 131 PRO HA H 1 4.66 . . 1 . . . . . . . . 4791 1 1523 . 1 1 131 131 PRO CB C 13 31.48 . . 1 . . . . . . . . 4791 1 1524 . 1 1 131 131 PRO HB2 H 1 2.43 . . 2 . . . . . . . . 4791 1 1525 . 1 1 131 131 PRO HB3 H 1 1.92 . . 2 . . . . . . . . 4791 1 1526 . 1 1 131 131 PRO CG C 13 27.49 . . 1 . . . . . . . . 4791 1 1527 . 1 1 131 131 PRO HG2 H 1 1.94 . . 2 . . . . . . . . 4791 1 1528 . 1 1 131 131 PRO HG3 H 1 2.1 . . 2 . . . . . . . . 4791 1 1529 . 1 1 131 131 PRO CD C 13 49.67 . . 1 . . . . . . . . 4791 1 1530 . 1 1 131 131 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 4791 1 1531 . 1 1 131 131 PRO HD3 H 1 3.79 . . 2 . . . . . . . . 4791 1 1532 . 1 1 131 131 PRO C C 13 177.31 . . 1 . . . . . . . . 4791 1 1533 . 1 1 132 132 GLY N N 15 110.199 . . 1 . . . . . . . . 4791 1 1534 . 1 1 132 132 GLY H H 1 8.754 . . 1 . . . . . . . . 4791 1 1535 . 1 1 132 132 GLY CA C 13 44.47 . . 1 . . . . . . . . 4791 1 1536 . 1 1 132 132 GLY HA2 H 1 4.1 . . 2 . . . . . . . . 4791 1 1537 . 1 1 132 132 GLY HA3 H 1 4.86 . . 2 . . . . . . . . 4791 1 1538 . 1 1 132 132 GLY C C 13 172.939 . . 1 . . . . . . . . 4791 1 1539 . 1 1 133 133 ILE N N 15 120.359 . . 1 . . . . . . . . 4791 1 1540 . 1 1 133 133 ILE H H 1 7.263 . . 1 . . . . . . . . 4791 1 1541 . 1 1 133 133 ILE CA C 13 60.01 . . 1 . . . . . . . . 4791 1 1542 . 1 1 133 133 ILE HA H 1 5.05 . . 1 . . . . . . . . 4791 1 1543 . 1 1 133 133 ILE CB C 13 41.81 . . 1 . . . . . . . . 4791 1 1544 . 1 1 133 133 ILE HB H 1 1.67 . . 1 . . . . . . . . 4791 1 1545 . 1 1 133 133 ILE CG1 C 13 27.6 . . 2 . . . . . . . . 4791 1 1546 . 1 1 133 133 ILE HG12 H 1 1.61 . . 9 . . . . . . . . 4791 1 1547 . 1 1 133 133 ILE HG13 H 1 1.12 . . 9 . . . . . . . . 4791 1 1548 . 1 1 133 133 ILE CD1 C 13 13.19 . . 1 . . . . . . . . 4791 1 1549 . 1 1 133 133 ILE HD11 H 1 0.89 . . 1 . . . . . . . . 4791 1 1550 . 1 1 133 133 ILE HD12 H 1 0.89 . . 1 . . . . . . . . 4791 1 1551 . 1 1 133 133 ILE HD13 H 1 0.89 . . 1 . . . . . . . . 4791 1 1552 . 1 1 133 133 ILE CG2 C 13 16.9 . . 2 . . . . . . . . 4791 1 1553 . 1 1 133 133 ILE HG21 H 1 0.86 . . 4 . . . . . . . . 4791 1 1554 . 1 1 133 133 ILE HG22 H 1 0.86 . . 4 . . . . . . . . 4791 1 1555 . 1 1 133 133 ILE HG23 H 1 0.86 . . 4 . . . . . . . . 4791 1 1556 . 1 1 133 133 ILE C C 13 172.63 . . 1 . . . . . . . . 4791 1 1557 . 1 1 134 134 TYR N N 15 130.013 . . 1 . . . . . . . . 4791 1 1558 . 1 1 134 134 TYR H H 1 9.235 . . 1 . . . . . . . . 4791 1 1559 . 1 1 134 134 TYR CA C 13 54.95 . . 1 . . . . . . . . 4791 1 1560 . 1 1 134 134 TYR HA H 1 5.65 . . 1 . . . . . . . . 4791 1 1561 . 1 1 134 134 TYR CB C 13 42 . . 1 . . . . . . . . 4791 1 1562 . 1 1 134 134 TYR HB2 H 1 2.72 . . 2 . . . . . . . . 4791 1 1563 . 1 1 134 134 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 4791 1 1564 . 1 1 134 134 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 4791 1 1565 . 1 1 134 134 TYR CE1 C 13 117.56 . . 1 . . . . . . . . 4791 1 1566 . 1 1 134 134 TYR HE1 H 1 6.53 . . 2 . . . . . . . . 4791 1 1567 . 1 1 134 134 TYR CE2 C 13 117.56 . . 1 . . . . . . . . 4791 1 1568 . 1 1 134 134 TYR CD2 C 13 132.56 . . 2 . . . . . . . . 4791 1 1569 . 1 1 134 134 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 4791 1 1570 . 1 1 134 134 TYR C C 13 173.31 . . 1 . . . . . . . . 4791 1 1571 . 1 1 135 135 ARG N N 15 126.071 . . 1 . . . . . . . . 4791 1 1572 . 1 1 135 135 ARG H H 1 9.517 . . 1 . . . . . . . . 4791 1 1573 . 1 1 135 135 ARG CA C 13 52.79 . . 1 . . . . . . . . 4791 1 1574 . 1 1 135 135 ARG HA H 1 5.784 . . 1 . . . . . . . . 4791 1 1575 . 1 1 135 135 ARG CB C 13 30.94 . . 1 . . . . . . . . 4791 1 1576 . 1 1 135 135 ARG HB2 H 1 1.58 . . 2 . . . . . . . . 4791 1 1577 . 1 1 135 135 ARG HB3 H 1 1.43 . . 2 . . . . . . . . 4791 1 1578 . 1 1 135 135 ARG CG C 13 28.46 . . 1 . . . . . . . . 4791 1 1579 . 1 1 135 135 ARG HG2 H 1 1.35 . . 2 . . . . . . . . 4791 1 1580 . 1 1 135 135 ARG HG3 H 1 1.5 . . 2 . . . . . . . . 4791 1 1581 . 1 1 135 135 ARG CD C 13 41.7 . . 1 . . . . . . . . 4791 1 1582 . 1 1 135 135 ARG HD2 H 1 3.29 . . 1 . . . . . . . . 4791 1 1583 . 1 1 135 135 ARG HD3 H 1 3.29 . . 1 . . . . . . . . 4791 1 1584 . 1 1 135 135 ARG NE N 15 85.711 . . 1 . . . . . . . . 4791 1 1585 . 1 1 135 135 ARG HE H 1 8.37 . . 1 . . . . . . . . 4791 1 1586 . 1 1 135 135 ARG C C 13 175.123 . . 1 . . . . . . . . 4791 1 1587 . 1 1 136 136 PHE N N 15 114.916 . . 1 . . . . . . . . 4791 1 1588 . 1 1 136 136 PHE H H 1 6.98 . . 1 . . . . . . . . 4791 1 1589 . 1 1 136 136 PHE CA C 13 54 . . 1 . . . . . . . . 4791 1 1590 . 1 1 136 136 PHE HA H 1 5.5 . . 1 . . . . . . . . 4791 1 1591 . 1 1 136 136 PHE CB C 13 40.23 . . 1 . . . . . . . . 4791 1 1592 . 1 1 136 136 PHE HB2 H 1 3.67 . . 2 . . . . . . . . 4791 1 1593 . 1 1 136 136 PHE HB3 H 1 2.61 . . 2 . . . . . . . . 4791 1 1594 . 1 1 136 136 PHE CD1 C 13 130.95 . . 1 . . . . . . . . 4791 1 1595 . 1 1 136 136 PHE HD1 H 1 6.88 . . 1 . . . . . . . . 4791 1 1596 . 1 1 136 136 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 4791 1 1597 . 1 1 136 136 PHE CZ C 13 133 . . 1 . . . . . . . . 4791 1 1598 . 1 1 136 136 PHE HZ H 1 7.4 . . 1 . . . . . . . . 4791 1 1599 . 1 1 136 136 PHE CE2 C 13 133 . . 2 . . . . . . . . 4791 1 1600 . 1 1 136 136 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 4791 1 1601 . 1 1 136 136 PHE CD2 C 13 130.95 . . 1 . . . . . . . . 4791 1 1602 . 1 1 136 136 PHE HD2 H 1 6.88 . . 1 . . . . . . . . 4791 1 1603 . 1 1 137 137 VAL N N 15 120.5 . . 1 . . . . . . . . 4791 1 1604 . 1 1 137 137 VAL H H 1 8.09 . . 1 . . . . . . . . 4791 1 1605 . 1 1 137 137 VAL CA C 13 63.44 . . 1 . . . . . . . . 4791 1 1606 . 1 1 137 137 VAL HA H 1 4.04 . . 1 . . . . . . . . 4791 1 1607 . 1 1 137 137 VAL CB C 13 32.87 . . 1 . . . . . . . . 4791 1 1608 . 1 1 137 137 VAL HB H 1 2.17 . . 1 . . . . . . . . 4791 1 1609 . 1 1 137 137 VAL CG2 C 13 23.79 . . 2 . . . . . . . . 4791 1 1610 . 1 1 137 137 VAL HG21 H 1 1.09 . . 4 . . . . . . . . 4791 1 1611 . 1 1 137 137 VAL HG22 H 1 1.09 . . 4 . . . . . . . . 4791 1 1612 . 1 1 137 137 VAL HG23 H 1 1.09 . . 4 . . . . . . . . 4791 1 1613 . 1 1 137 137 VAL CG1 C 13 21.57 . . 2 . . . . . . . . 4791 1 1614 . 1 1 137 137 VAL HG11 H 1 1.08 . . 4 . . . . . . . . 4791 1 1615 . 1 1 137 137 VAL HG12 H 1 1.08 . . 4 . . . . . . . . 4791 1 1616 . 1 1 137 137 VAL HG13 H 1 1.08 . . 4 . . . . . . . . 4791 1 1617 . 1 1 137 137 VAL C C 13 175.45 . . 1 . . . . . . . . 4791 1 1618 . 1 1 138 138 ALA N N 15 127.943 . . 1 . . . . . . . . 4791 1 1619 . 1 1 138 138 ALA H H 1 8.982 . . 1 . . . . . . . . 4791 1 1620 . 1 1 138 138 ALA CA C 13 48.95 . . 1 . . . . . . . . 4791 1 1621 . 1 1 138 138 ALA HA H 1 5.03 . . 1 . . . . . . . . 4791 1 1622 . 1 1 138 138 ALA CB C 13 19.88 . . 1 . . . . . . . . 4791 1 1623 . 1 1 138 138 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4791 1 1624 . 1 1 138 138 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4791 1 1625 . 1 1 138 138 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4791 1 1626 . 1 1 139 139 PRO CA C 13 62.27 . . 1 . . . . . . . . 4791 1 1627 . 1 1 139 139 PRO HA H 1 4.12 . . 1 . . . . . . . . 4791 1 1628 . 1 1 139 139 PRO CB C 13 31.9 . . 1 . . . . . . . . 4791 1 1629 . 1 1 139 139 PRO HB2 H 1 2 . . 2 . . . . . . . . 4791 1 1630 . 1 1 139 139 PRO HB3 H 1 2.29 . . 2 . . . . . . . . 4791 1 1631 . 1 1 139 139 PRO CG C 13 26.74 . . 1 . . . . . . . . 4791 1 1632 . 1 1 139 139 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4791 1 1633 . 1 1 139 139 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4791 1 1634 . 1 1 139 139 PRO CD C 13 50.64 . . 1 . . . . . . . . 4791 1 1635 . 1 1 139 139 PRO HD2 H 1 3.93 . . 2 . . . . . . . . 4791 1 1636 . 1 1 139 139 PRO HD3 H 1 3.8 . . 2 . . . . . . . . 4791 1 1637 . 1 1 139 139 PRO C C 13 176.69 . . 1 . . . . . . . . 4791 1 1638 . 1 1 140 140 GLY N N 15 108.175 . . 1 . . . . . . . . 4791 1 1639 . 1 1 140 140 GLY H H 1 8.277 . . 1 . . . . . . . . 4791 1 1640 . 1 1 140 140 GLY CA C 13 44.09 . . 1 . . . . . . . . 4791 1 1641 . 1 1 140 140 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 4791 1 1642 . 1 1 140 140 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 4791 1 1643 . 1 1 141 141 GLU N N 15 120.922 . . 1 . . . . . . . . 4791 1 1644 . 1 1 141 141 GLU H H 1 8.236 . . 1 . . . . . . . . 4791 1 1645 . 1 1 141 141 GLU CA C 13 56.12 . . 1 . . . . . . . . 4791 1 1646 . 1 1 141 141 GLU HA H 1 4.23 . . 1 . . . . . . . . 4791 1 1647 . 1 1 141 141 GLU CB C 13 30.11 . . 1 . . . . . . . . 4791 1 1648 . 1 1 141 141 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 4791 1 1649 . 1 1 141 141 GLU HB3 H 1 1.86 . . 2 . . . . . . . . 4791 1 1650 . 1 1 141 141 GLU CG C 13 35.78 . . 1 . . . . . . . . 4791 1 1651 . 1 1 141 141 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 4791 1 1652 . 1 1 141 141 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 4791 1 1653 . 1 1 141 141 GLU C C 13 175.585 . . 1 . . . . . . . . 4791 1 1654 . 1 1 142 142 ARG N N 15 126.7 . . 1 . . . . . . . . 4791 1 1655 . 1 1 142 142 ARG H H 1 7.969 . . 1 . . . . . . . . 4791 1 1656 . 1 1 142 142 ARG CA C 13 56.71 . . 1 . . . . . . . . 4791 1 1657 . 1 1 142 142 ARG HA H 1 4.12 . . 1 . . . . . . . . 4791 1 1658 . 1 1 142 142 ARG CB C 13 31.17 . . 1 . . . . . . . . 4791 1 1659 . 1 1 142 142 ARG HB2 H 1 1.84 . . 2 . . . . . . . . 4791 1 1660 . 1 1 142 142 ARG HB3 H 1 1.67 . . 2 . . . . . . . . 4791 1 1661 . 1 1 142 142 ARG HG3 H 1 1.54 . . 2 . . . . . . . . 4791 1 1662 . 1 1 142 142 ARG HD3 H 1 3.145 . . 2 . . . . . . . . 4791 1 stop_ save_