data_19204 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19204 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for BAF155 SWIRM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-30 _Entry.Accession_date 2013-04-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Sunjin Moon . . . 19204 2 Weontae Lee . . . 19204 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19204 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 19204 '15N chemical shifts' 86 19204 '1H chemical shifts' 608 19204 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 2 . . 2013-12-09 2013-04-30 update BMRB 'update entry citation' 19204 1 . . 2013-05-14 2013-04-30 original author 'original release' 19204 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19204 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23996527 _Citation.Full_citation . _Citation.Title '(1)H, (15)N, and (13)C resonance assignments and secondary structure of the SWIRM domain of human BAF155, a chromatin remodeling complex component.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cells' _Citation.Journal_name_full 'Molecules and cells' _Citation.Journal_volume 36 _Citation.Journal_issue 4 _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 333 _Citation.Page_last 339 _Citation.Year 2013 _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 Sunjin Moon . . . 19204 1 2 Joon Shin . . . 19204 1 3 Dongju Lee . . . 19204 1 4 Rho Seong . H. . 19204 1 5 Weontae Lee . . . 19204 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19204 _Assembly.ID 1 _Assembly.Name 'BAF155 SWIRM domain' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'BAF155 SWIRM domain' 1 $BAF155_SWIRM_domain A . yes native no no . . . 19204 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BAF155_SWIRM_domain _Entity.Sf_category entity _Entity.Sf_framecode BAF155_SWIRM_domain _Entity.Entry_ID 19204 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BAF155_SWIRM_domain _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 ; IIIPSYASWFDYNCIHVIER RALPEFFNGKNKSKTPEIYL AYRNFMIDTYRLNPQEYLTS TACRRNLTGDVCAVMRVHAF LEQWGLVNYQVDPESRPM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Chromatin Remodeling Complex Component' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 DBJ BAE25395 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1104 100.00 100.00 2.59e-63 . . . . 19204 1 2 no DBJ BAE25713 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1098 100.00 100.00 1.02e-63 . . . . 19204 1 3 no DBJ BAE25978 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1104 100.00 100.00 2.37e-63 . . . . 19204 1 4 no DBJ BAG63721 . "unnamed protein product [Homo sapiens]" . . . . . 54.08 612 100.00 100.00 4.43e-29 . . . . 19204 1 5 no DBJ BAG63813 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 996 100.00 100.00 3.36e-63 . . . . 19204 1 6 no GB AAB42085 . "SRG3 [Mus musculus]" . . . . . 100.00 1100 96.94 96.94 2.69e-59 . . . . 19204 1 7 no GB AAC50693 . "SWI/SNF complex 155 KDa subunit [Homo sapiens]" . . . . . 100.00 1104 96.94 97.96 9.40e-61 . . . . 19204 1 8 no GB AAH21862 . "SMARCC1 protein, partial [Homo sapiens]" . . . . . 100.00 817 100.00 100.00 2.13e-64 . . . . 19204 1 9 no GB AAH32564 . "SMARCC1 protein, partial [Homo sapiens]" . . . . . 100.00 814 98.98 98.98 1.90e-63 . . . . 19204 1 10 no GB AAH39843 . "SMARCC1 protein, partial [Homo sapiens]" . . . . . 100.00 817 100.00 100.00 2.13e-64 . . . . 19204 1 11 no REF NP_001100331 . "SWI/SNF complex subunit SMARCC1 [Rattus norvegicus]" . . . . . 100.00 1078 100.00 100.00 7.68e-64 . . . . 19204 1 12 no REF NP_003065 . "SWI/SNF complex subunit SMARCC1 [Homo sapiens]" . . . . . 100.00 1105 100.00 100.00 1.56e-63 . . . . 19204 1 13 no REF NP_033237 . "SWI/SNF complex subunit SMARCC1 [Mus musculus]" . . . . . 100.00 1104 100.00 100.00 2.59e-63 . . . . 19204 1 14 no REF XP_001154676 . "PREDICTED: SWI/SNF complex subunit SMARCC1 isoform X1 [Pan troglodytes]" . . . . . 100.00 1105 100.00 100.00 1.74e-63 . . . . 19204 1 15 no REF XP_001366921 . "PREDICTED: SWI/SNF complex subunit SMARCC1 [Monodelphis domestica]" . . . . . 100.00 1107 100.00 100.00 1.08e-63 . . . . 19204 1 16 no SP P97496 . "RecName: Full=SWI/SNF complex subunit SMARCC1; AltName: Full=BRG1-associated factor 155; AltName: Full=SWI/SNF complex 155 kDa " . . . . . 100.00 1104 100.00 100.00 2.59e-63 . . . . 19204 1 17 no SP Q92922 . "RecName: Full=SWI/SNF complex subunit SMARCC1; AltName: Full=BRG1-associated factor 155; Short=BAF155; AltName: Full=SWI/SNF co" . . . . . 100.00 1105 100.00 100.00 1.56e-63 . . . . 19204 1 18 no TPG DAA17059 . "TPA: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin c2-like [Bos taurus]" . . . . . 100.00 1165 100.00 100.00 1.04e-63 . . . . 19204 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 1 446 ILE . 19204 1 2 447 ILE . 19204 1 3 448 ILE . 19204 1 4 449 PRO . 19204 1 5 450 SER . 19204 1 6 451 TYR . 19204 1 7 452 ALA . 19204 1 8 453 SER . 19204 1 9 454 TRP . 19204 1 10 455 PHE . 19204 1 11 456 ASP . 19204 1 12 457 TYR . 19204 1 13 458 ASN . 19204 1 14 459 CYS . 19204 1 15 460 ILE . 19204 1 16 461 HIS . 19204 1 17 462 VAL . 19204 1 18 463 ILE . 19204 1 19 464 GLU . 19204 1 20 465 ARG . 19204 1 21 466 ARG . 19204 1 22 467 ALA . 19204 1 23 468 LEU . 19204 1 24 469 PRO . 19204 1 25 470 GLU . 19204 1 26 471 PHE . 19204 1 27 472 PHE . 19204 1 28 473 ASN . 19204 1 29 474 GLY . 19204 1 30 475 LYS . 19204 1 31 476 ASN . 19204 1 32 477 LYS . 19204 1 33 478 SER . 19204 1 34 479 LYS . 19204 1 35 480 THR . 19204 1 36 481 PRO . 19204 1 37 482 GLU . 19204 1 38 483 ILE . 19204 1 39 484 TYR . 19204 1 40 485 LEU . 19204 1 41 486 ALA . 19204 1 42 487 TYR . 19204 1 43 488 ARG . 19204 1 44 489 ASN . 19204 1 45 490 PHE . 19204 1 46 491 MET . 19204 1 47 492 ILE . 19204 1 48 493 ASP . 19204 1 49 494 THR . 19204 1 50 495 TYR . 19204 1 51 496 ARG . 19204 1 52 497 LEU . 19204 1 53 498 ASN . 19204 1 54 499 PRO . 19204 1 55 500 GLN . 19204 1 56 501 GLU . 19204 1 57 502 TYR . 19204 1 58 503 LEU . 19204 1 59 504 THR . 19204 1 60 505 SER . 19204 1 61 506 THR . 19204 1 62 507 ALA . 19204 1 63 508 CYS . 19204 1 64 509 ARG . 19204 1 65 510 ARG . 19204 1 66 511 ASN . 19204 1 67 512 LEU . 19204 1 68 513 THR . 19204 1 69 514 GLY . 19204 1 70 515 ASP . 19204 1 71 516 VAL . 19204 1 72 517 CYS . 19204 1 73 518 ALA . 19204 1 74 519 VAL . 19204 1 75 520 MET . 19204 1 76 521 ARG . 19204 1 77 522 VAL . 19204 1 78 523 HIS . 19204 1 79 524 ALA . 19204 1 80 525 PHE . 19204 1 81 526 LEU . 19204 1 82 527 GLU . 19204 1 83 528 GLN . 19204 1 84 529 TRP . 19204 1 85 530 GLY . 19204 1 86 531 LEU . 19204 1 87 532 VAL . 19204 1 88 533 ASN . 19204 1 89 534 TYR . 19204 1 90 535 GLN . 19204 1 91 536 VAL . 19204 1 92 537 ASP . 19204 1 93 538 PRO . 19204 1 94 539 GLU . 19204 1 95 540 SER . 19204 1 96 541 ARG . 19204 1 97 542 PRO . 19204 1 98 543 MET . 19204 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 . ILE 1 1 19204 1 . ILE 2 2 19204 1 . ILE 3 3 19204 1 . PRO 4 4 19204 1 . SER 5 5 19204 1 . TYR 6 6 19204 1 . ALA 7 7 19204 1 . SER 8 8 19204 1 . TRP 9 9 19204 1 . PHE 10 10 19204 1 . ASP 11 11 19204 1 . TYR 12 12 19204 1 . ASN 13 13 19204 1 . CYS 14 14 19204 1 . ILE 15 15 19204 1 . HIS 16 16 19204 1 . VAL 17 17 19204 1 . ILE 18 18 19204 1 . GLU 19 19 19204 1 . ARG 20 20 19204 1 . ARG 21 21 19204 1 . ALA 22 22 19204 1 . LEU 23 23 19204 1 . PRO 24 24 19204 1 . GLU 25 25 19204 1 . PHE 26 26 19204 1 . PHE 27 27 19204 1 . ASN 28 28 19204 1 . GLY 29 29 19204 1 . LYS 30 30 19204 1 . ASN 31 31 19204 1 . LYS 32 32 19204 1 . SER 33 33 19204 1 . LYS 34 34 19204 1 . THR 35 35 19204 1 . PRO 36 36 19204 1 . GLU 37 37 19204 1 . ILE 38 38 19204 1 . TYR 39 39 19204 1 . LEU 40 40 19204 1 . ALA 41 41 19204 1 . TYR 42 42 19204 1 . ARG 43 43 19204 1 . ASN 44 44 19204 1 . PHE 45 45 19204 1 . MET 46 46 19204 1 . ILE 47 47 19204 1 . ASP 48 48 19204 1 . THR 49 49 19204 1 . TYR 50 50 19204 1 . ARG 51 51 19204 1 . LEU 52 52 19204 1 . ASN 53 53 19204 1 . PRO 54 54 19204 1 . GLN 55 55 19204 1 . GLU 56 56 19204 1 . TYR 57 57 19204 1 . LEU 58 58 19204 1 . THR 59 59 19204 1 . SER 60 60 19204 1 . THR 61 61 19204 1 . ALA 62 62 19204 1 . CYS 63 63 19204 1 . ARG 64 64 19204 1 . ARG 65 65 19204 1 . ASN 66 66 19204 1 . LEU 67 67 19204 1 . THR 68 68 19204 1 . GLY 69 69 19204 1 . ASP 70 70 19204 1 . VAL 71 71 19204 1 . CYS 72 72 19204 1 . ALA 73 73 19204 1 . VAL 74 74 19204 1 . MET 75 75 19204 1 . ARG 76 76 19204 1 . VAL 77 77 19204 1 . HIS 78 78 19204 1 . ALA 79 79 19204 1 . PHE 80 80 19204 1 . LEU 81 81 19204 1 . GLU 82 82 19204 1 . GLN 83 83 19204 1 . TRP 84 84 19204 1 . GLY 85 85 19204 1 . LEU 86 86 19204 1 . VAL 87 87 19204 1 . ASN 88 88 19204 1 . TYR 89 89 19204 1 . GLN 90 90 19204 1 . VAL 91 91 19204 1 . ASP 92 92 19204 1 . PRO 93 93 19204 1 . GLU 94 94 19204 1 . SER 95 95 19204 1 . ARG 96 96 19204 1 . PRO 97 97 19204 1 . MET 98 98 19204 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 19204 _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 $BAF155_SWIRM_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19204 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 19204 _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 $BAF155_SWIRM_domain . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMAL-c2X . . . . . . 19204 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19204 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'BAF155 SWIRM domain' '[U-100% 13C; U-100% 15N]' . . 1 $BAF155_SWIRM_domain . . 0.5 . . mM . . . . 19204 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19204 _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 'ionic strength' 0.1 . M 19204 1 pH 6.8 . pH 19204 1 pressure 1 . atm 19204 1 temperature 298 . K 19204 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19204 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19204 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19204 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19204 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19204 _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 spectrometer_1 Bruker DRX . 500 . . . 19204 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 19204 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19204 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19204 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19204 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19204 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19204 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 1 _NMR_spec_expt.Software_label $SPARKY _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_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 19204 _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 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19204 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19204 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19204 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19204 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '2D 1H-15N HSQC' . . . 19204 1 2 '3D HNCACB' . . . 19204 1 3 '3D HNCA' . . . 19204 1 4 '3D CBCA(CO)NH' . . . 19204 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 1 1 ILE HA H 1 4.534 0.005 . . . . . . 446 ILE HA . 19204 1 2 . 1 1 1 1 ILE HB H 1 1.911 0.004 . . . . . . 446 ILE HB . 19204 1 3 . 1 1 1 1 ILE HG12 H 1 1.467 0.005 . . . . . . 446 ILE HG12 . 19204 1 4 . 1 1 1 1 ILE HG13 H 1 1.384 0.005 . . . . . . 446 ILE HG13 . 19204 1 5 . 1 1 1 1 ILE HG21 H 1 0.896 0.005 . . . . . . 446 ILE HG2 . 19204 1 6 . 1 1 1 1 ILE HG22 H 1 0.896 0.005 . . . . . . 446 ILE HG2 . 19204 1 7 . 1 1 1 1 ILE HG23 H 1 0.896 0.005 . . . . . . 446 ILE HG2 . 19204 1 8 . 1 1 1 1 ILE HD11 H 1 0.900 0.005 . . . . . . 446 ILE HD1 . 19204 1 9 . 1 1 1 1 ILE HD12 H 1 0.900 0.005 . . . . . . 446 ILE HD1 . 19204 1 10 . 1 1 1 1 ILE HD13 H 1 0.900 0.005 . . . . . . 446 ILE HD1 . 19204 1 11 . 1 1 1 1 ILE CA C 13 60.177 0.029 . . . . . . 446 ILE CA . 19204 1 12 . 1 1 1 1 ILE CB C 13 38.483 0.036 . . . . . . 446 ILE CB . 19204 1 13 . 1 1 1 1 ILE CG1 C 13 27.582 0.019 . . . . . . 446 ILE CG1 . 19204 1 14 . 1 1 1 1 ILE CG2 C 13 17.711 0.019 . . . . . . 446 ILE CG2 . 19204 1 15 . 1 1 1 1 ILE CD1 C 13 12.189 0.001 . . . . . . 446 ILE CD1 . 19204 1 16 . 1 1 2 2 ILE H H 1 7.939 0.001 . . . . . . 447 ILE H . 19204 1 17 . 1 1 2 2 ILE HA H 1 4.353 0.004 . . . . . . 447 ILE HA . 19204 1 18 . 1 1 2 2 ILE HB H 1 1.760 0.004 . . . . . . 447 ILE HB . 19204 1 19 . 1 1 2 2 ILE HG12 H 1 1.531 0.007 . . . . . . 447 ILE HG12 . 19204 1 20 . 1 1 2 2 ILE HG13 H 1 1.153 0.004 . . . . . . 447 ILE HG13 . 19204 1 21 . 1 1 2 2 ILE HG21 H 1 0.917 0.006 . . . . . . 447 ILE HG2 . 19204 1 22 . 1 1 2 2 ILE HG22 H 1 0.917 0.006 . . . . . . 447 ILE HG2 . 19204 1 23 . 1 1 2 2 ILE HG23 H 1 0.917 0.006 . . . . . . 447 ILE HG2 . 19204 1 24 . 1 1 2 2 ILE HD11 H 1 0.901 0.005 . . . . . . 447 ILE HD1 . 19204 1 25 . 1 1 2 2 ILE HD12 H 1 0.901 0.005 . . . . . . 447 ILE HD1 . 19204 1 26 . 1 1 2 2 ILE HD13 H 1 0.901 0.005 . . . . . . 447 ILE HD1 . 19204 1 27 . 1 1 2 2 ILE CA C 13 60.604 0.010 . . . . . . 447 ILE CA . 19204 1 28 . 1 1 2 2 ILE CB C 13 40.196 0.012 . . . . . . 447 ILE CB . 19204 1 29 . 1 1 2 2 ILE CG1 C 13 27.253 0.010 . . . . . . 447 ILE CG1 . 19204 1 30 . 1 1 2 2 ILE CG2 C 13 17.661 0.034 . . . . . . 447 ILE CG2 . 19204 1 31 . 1 1 2 2 ILE CD1 C 13 12.969 0.023 . . . . . . 447 ILE CD1 . 19204 1 32 . 1 1 2 2 ILE N N 15 126.498 0.013 . . . . . . 447 ILE N . 19204 1 33 . 1 1 3 3 ILE H H 1 7.981 0.001 . . . . . . 448 ILE H . 19204 1 34 . 1 1 3 3 ILE HA H 1 4.481 0.004 . . . . . . 448 ILE HA . 19204 1 35 . 1 1 3 3 ILE HB H 1 1.583 0.004 . . . . . . 448 ILE HB . 19204 1 36 . 1 1 3 3 ILE HG12 H 1 1.250 0.005 . . . . . . 448 ILE HG12 . 19204 1 37 . 1 1 3 3 ILE HG13 H 1 0.953 0.005 . . . . . . 448 ILE HG13 . 19204 1 38 . 1 1 3 3 ILE HG21 H 1 0.764 0.005 . . . . . . 448 ILE HG2 . 19204 1 39 . 1 1 3 3 ILE HG22 H 1 0.764 0.005 . . . . . . 448 ILE HG2 . 19204 1 40 . 1 1 3 3 ILE HG23 H 1 0.764 0.005 . . . . . . 448 ILE HG2 . 19204 1 41 . 1 1 3 3 ILE HD11 H 1 0.656 0.005 . . . . . . 448 ILE HD1 . 19204 1 42 . 1 1 3 3 ILE HD12 H 1 0.656 0.005 . . . . . . 448 ILE HD1 . 19204 1 43 . 1 1 3 3 ILE HD13 H 1 0.656 0.005 . . . . . . 448 ILE HD1 . 19204 1 44 . 1 1 3 3 ILE CA C 13 57.684 0.041 . . . . . . 448 ILE CA . 19204 1 45 . 1 1 3 3 ILE CB C 13 39.263 0.006 . . . . . . 448 ILE CB . 19204 1 46 . 1 1 3 3 ILE CG1 C 13 25.753 0.009 . . . . . . 448 ILE CG1 . 19204 1 47 . 1 1 3 3 ILE CG2 C 13 17.910 0.017 . . . . . . 448 ILE CG2 . 19204 1 48 . 1 1 3 3 ILE CD1 C 13 13.322 0.004 . . . . . . 448 ILE CD1 . 19204 1 49 . 1 1 3 3 ILE N N 15 122.819 0.037 . . . . . . 448 ILE N . 19204 1 50 . 1 1 6 6 TYR HA H 1 4.870 0.018 . . . . . . 451 TYR HA . 19204 1 51 . 1 1 6 6 TYR HB2 H 1 3.656 0.003 . . . . . . 451 TYR HB2 . 19204 1 52 . 1 1 6 6 TYR HB3 H 1 3.168 0.009 . . . . . . 451 TYR HB3 . 19204 1 53 . 1 1 6 6 TYR HD1 H 1 7.271 0.000 . . . . . . 451 TYR HD1 . 19204 1 54 . 1 1 6 6 TYR CA C 13 56.860 0.062 . . . . . . 451 TYR CA . 19204 1 55 . 1 1 6 6 TYR CB C 13 37.093 0.008 . . . . . . 451 TYR CB . 19204 1 56 . 1 1 7 7 ALA H H 1 7.554 0.003 . . . . . . 452 ALA H . 19204 1 57 . 1 1 7 7 ALA HA H 1 4.470 0.005 . . . . . . 452 ALA HA . 19204 1 58 . 1 1 7 7 ALA HB1 H 1 1.258 0.008 . . . . . . 452 ALA HB . 19204 1 59 . 1 1 7 7 ALA HB2 H 1 1.258 0.008 . . . . . . 452 ALA HB . 19204 1 60 . 1 1 7 7 ALA HB3 H 1 1.258 0.008 . . . . . . 452 ALA HB . 19204 1 61 . 1 1 7 7 ALA CA C 13 51.554 0.056 . . . . . . 452 ALA CA . 19204 1 62 . 1 1 7 7 ALA CB C 13 18.301 0.013 . . . . . . 452 ALA CB . 19204 1 63 . 1 1 7 7 ALA N N 15 124.216 0.025 . . . . . . 452 ALA N . 19204 1 64 . 1 1 8 8 SER H H 1 7.454 0.005 . . . . . . 453 SER H . 19204 1 65 . 1 1 8 8 SER HA H 1 3.989 0.007 . . . . . . 453 SER HA . 19204 1 66 . 1 1 8 8 SER HB2 H 1 4.124 0.004 . . . . . . 453 SER HB . 19204 1 67 . 1 1 8 8 SER HB3 H 1 4.124 0.004 . . . . . . 453 SER HB . 19204 1 68 . 1 1 8 8 SER CA C 13 61.351 0.030 . . . . . . 453 SER CA . 19204 1 69 . 1 1 8 8 SER CB C 13 63.303 0.049 . . . . . . 453 SER CB . 19204 1 70 . 1 1 8 8 SER N N 15 113.673 0.046 . . . . . . 453 SER N . 19204 1 71 . 1 1 9 9 TRP H H 1 6.541 0.006 . . . . . . 454 TRP H . 19204 1 72 . 1 1 9 9 TRP HA H 1 4.323 0.003 . . . . . . 454 TRP HA . 19204 1 73 . 1 1 9 9 TRP HB2 H 1 2.865 0.006 . . . . . . 454 TRP HB2 . 19204 1 74 . 1 1 9 9 TRP HB3 H 1 2.729 0.006 . . . . . . 454 TRP HB3 . 19204 1 75 . 1 1 9 9 TRP CA C 13 55.202 0.024 . . . . . . 454 TRP CA . 19204 1 76 . 1 1 9 9 TRP CB C 13 28.396 0.012 . . . . . . 454 TRP CB . 19204 1 77 . 1 1 9 9 TRP N N 15 117.918 0.038 . . . . . . 454 TRP N . 19204 1 78 . 1 1 10 10 PHE H H 1 6.695 0.003 . . . . . . 455 PHE H . 19204 1 79 . 1 1 10 10 PHE HA H 1 3.622 0.003 . . . . . . 455 PHE HA . 19204 1 80 . 1 1 10 10 PHE HB2 H 1 2.329 0.009 . . . . . . 455 PHE HB2 . 19204 1 81 . 1 1 10 10 PHE HB3 H 1 1.585 0.002 . . . . . . 455 PHE HB3 . 19204 1 82 . 1 1 10 10 PHE HD1 H 1 6.915 0.001 . . . . . . 455 PHE HD1 . 19204 1 83 . 1 1 10 10 PHE CA C 13 61.353 0.044 . . . . . . 455 PHE CA . 19204 1 84 . 1 1 10 10 PHE CB C 13 38.880 0.015 . . . . . . 455 PHE CB . 19204 1 85 . 1 1 10 10 PHE N N 15 123.512 0.036 . . . . . . 455 PHE N . 19204 1 86 . 1 1 11 11 ASP H H 1 7.091 0.004 . . . . . . 456 ASP H . 19204 1 87 . 1 1 11 11 ASP HA H 1 4.332 0.008 . . . . . . 456 ASP HA . 19204 1 88 . 1 1 11 11 ASP HB2 H 1 2.788 0.005 . . . . . . 456 ASP HB2 . 19204 1 89 . 1 1 11 11 ASP HB3 H 1 2.414 0.007 . . . . . . 456 ASP HB3 . 19204 1 90 . 1 1 11 11 ASP CA C 13 53.287 0.022 . . . . . . 456 ASP CA . 19204 1 91 . 1 1 11 11 ASP CB C 13 44.545 0.023 . . . . . . 456 ASP CB . 19204 1 92 . 1 1 11 11 ASP N N 15 127.463 0.054 . . . . . . 456 ASP N . 19204 1 93 . 1 1 12 12 TYR H H 1 8.369 0.006 . . . . . . 457 TYR H . 19204 1 94 . 1 1 12 12 TYR HA H 1 3.806 0.005 . . . . . . 457 TYR HA . 19204 1 95 . 1 1 12 12 TYR HB2 H 1 3.096 0.009 . . . . . . 457 TYR HB2 . 19204 1 96 . 1 1 12 12 TYR HB3 H 1 2.751 0.006 . . . . . . 457 TYR HB3 . 19204 1 97 . 1 1 12 12 TYR HD1 H 1 7.092 0.006 . . . . . . 457 TYR HD1 . 19204 1 98 . 1 1 12 12 TYR HE1 H 1 6.978 0.012 . . . . . . 457 TYR HE1 . 19204 1 99 . 1 1 12 12 TYR CA C 13 61.345 0.015 . . . . . . 457 TYR CA . 19204 1 100 . 1 1 12 12 TYR CB C 13 40.806 0.052 . . . . . . 457 TYR CB . 19204 1 101 . 1 1 12 12 TYR N N 15 127.598 0.050 . . . . . . 457 TYR N . 19204 1 102 . 1 1 13 13 ASN H H 1 8.575 0.002 . . . . . . 458 ASN H . 19204 1 103 . 1 1 13 13 ASN HA H 1 4.822 0.005 . . . . . . 458 ASN HA . 19204 1 104 . 1 1 13 13 ASN HB2 H 1 3.021 0.005 . . . . . . 458 ASN HB2 . 19204 1 105 . 1 1 13 13 ASN HB3 H 1 2.815 0.005 . . . . . . 458 ASN HB3 . 19204 1 106 . 1 1 13 13 ASN CA C 13 53.918 0.040 . . . . . . 458 ASN CA . 19204 1 107 . 1 1 13 13 ASN CB C 13 40.402 0.028 . . . . . . 458 ASN CB . 19204 1 108 . 1 1 13 13 ASN N N 15 111.088 0.044 . . . . . . 458 ASN N . 19204 1 109 . 1 1 14 14 CYS H H 1 7.836 0.002 . . . . . . 459 CYS H . 19204 1 110 . 1 1 14 14 CYS HA H 1 4.931 0.011 . . . . . . 459 CYS HA . 19204 1 111 . 1 1 14 14 CYS HB2 H 1 3.054 0.005 . . . . . . 459 CYS HB2 . 19204 1 112 . 1 1 14 14 CYS HB3 H 1 2.852 0.006 . . . . . . 459 CYS HB3 . 19204 1 113 . 1 1 14 14 CYS CA C 13 57.394 0.027 . . . . . . 459 CYS CA . 19204 1 114 . 1 1 14 14 CYS CB C 13 32.195 0.017 . . . . . . 459 CYS CB . 19204 1 115 . 1 1 14 14 CYS N N 15 116.601 0.006 . . . . . . 459 CYS N . 19204 1 116 . 1 1 15 15 ILE H H 1 8.378 0.003 . . . . . . 460 ILE H . 19204 1 117 . 1 1 15 15 ILE HA H 1 4.574 0.005 . . . . . . 460 ILE HA . 19204 1 118 . 1 1 15 15 ILE HB H 1 1.708 0.011 . . . . . . 460 ILE HB . 19204 1 119 . 1 1 15 15 ILE HG12 H 1 1.821 0.004 . . . . . . 460 ILE HG12 . 19204 1 120 . 1 1 15 15 ILE HG13 H 1 1.079 0.004 . . . . . . 460 ILE HG13 . 19204 1 121 . 1 1 15 15 ILE HG21 H 1 1.286 0.005 . . . . . . 460 ILE HG2 . 19204 1 122 . 1 1 15 15 ILE HG22 H 1 1.286 0.005 . . . . . . 460 ILE HG2 . 19204 1 123 . 1 1 15 15 ILE HG23 H 1 1.286 0.005 . . . . . . 460 ILE HG2 . 19204 1 124 . 1 1 15 15 ILE HD11 H 1 0.829 0.006 . . . . . . 460 ILE HD1 . 19204 1 125 . 1 1 15 15 ILE HD12 H 1 0.829 0.006 . . . . . . 460 ILE HD1 . 19204 1 126 . 1 1 15 15 ILE HD13 H 1 0.829 0.006 . . . . . . 460 ILE HD1 . 19204 1 127 . 1 1 15 15 ILE CA C 13 61.656 0.023 . . . . . . 460 ILE CA . 19204 1 128 . 1 1 15 15 ILE CB C 13 40.649 0.065 . . . . . . 460 ILE CB . 19204 1 129 . 1 1 15 15 ILE CG1 C 13 28.799 0.005 . . . . . . 460 ILE CG1 . 19204 1 130 . 1 1 15 15 ILE CG2 C 13 15.121 0.003 . . . . . . 460 ILE CG2 . 19204 1 131 . 1 1 15 15 ILE CD1 C 13 19.200 0.000 . . . . . . 460 ILE CD1 . 19204 1 132 . 1 1 15 15 ILE N N 15 121.164 0.049 . . . . . . 460 ILE N . 19204 1 133 . 1 1 16 16 HIS H H 1 10.263 0.002 . . . . . . 461 HIS H . 19204 1 134 . 1 1 16 16 HIS HA H 1 4.528 0.006 . . . . . . 461 HIS HA . 19204 1 135 . 1 1 16 16 HIS HB2 H 1 3.837 0.004 . . . . . . 461 HIS HB2 . 19204 1 136 . 1 1 16 16 HIS HB3 H 1 2.871 0.005 . . . . . . 461 HIS HB3 . 19204 1 137 . 1 1 16 16 HIS CA C 13 57.849 0.075 . . . . . . 461 HIS CA . 19204 1 138 . 1 1 16 16 HIS CB C 13 34.399 0.024 . . . . . . 461 HIS CB . 19204 1 139 . 1 1 16 16 HIS N N 15 133.287 0.036 . . . . . . 461 HIS N . 19204 1 140 . 1 1 17 17 VAL H H 1 7.740 0.003 . . . . . . 462 VAL H . 19204 1 141 . 1 1 17 17 VAL HA H 1 3.528 0.004 . . . . . . 462 VAL HA . 19204 1 142 . 1 1 17 17 VAL HB H 1 1.898 0.008 . . . . . . 462 VAL HB . 19204 1 143 . 1 1 17 17 VAL HG11 H 1 0.852 0.006 . . . . . . 462 VAL HG1 . 19204 1 144 . 1 1 17 17 VAL HG12 H 1 0.852 0.006 . . . . . . 462 VAL HG1 . 19204 1 145 . 1 1 17 17 VAL HG13 H 1 0.852 0.006 . . . . . . 462 VAL HG1 . 19204 1 146 . 1 1 17 17 VAL HG21 H 1 0.785 0.006 . . . . . . 462 VAL HG2 . 19204 1 147 . 1 1 17 17 VAL HG22 H 1 0.785 0.006 . . . . . . 462 VAL HG2 . 19204 1 148 . 1 1 17 17 VAL HG23 H 1 0.785 0.006 . . . . . . 462 VAL HG2 . 19204 1 149 . 1 1 17 17 VAL CA C 13 66.626 0.035 . . . . . . 462 VAL CA . 19204 1 150 . 1 1 17 17 VAL CB C 13 31.485 0.047 . . . . . . 462 VAL CB . 19204 1 151 . 1 1 17 17 VAL CG1 C 13 21.973 0.013 . . . . . . 462 VAL CG1 . 19204 1 152 . 1 1 17 17 VAL CG2 C 13 20.548 0.019 . . . . . . 462 VAL CG2 . 19204 1 153 . 1 1 17 17 VAL N N 15 128.070 0.040 . . . . . . 462 VAL N . 19204 1 154 . 1 1 18 18 ILE H H 1 11.307 0.008 . . . . . . 463 ILE H . 19204 1 155 . 1 1 18 18 ILE HA H 1 3.288 0.003 . . . . . . 463 ILE HA . 19204 1 156 . 1 1 18 18 ILE HB H 1 0.376 0.007 . . . . . . 463 ILE HB . 19204 1 157 . 1 1 18 18 ILE HG12 H 1 1.362 0.006 . . . . . . 463 ILE HG12 . 19204 1 158 . 1 1 18 18 ILE HG13 H 1 0.673 0.005 . . . . . . 463 ILE HG13 . 19204 1 159 . 1 1 18 18 ILE HG21 H 1 0.100 0.005 . . . . . . 463 ILE HG2 . 19204 1 160 . 1 1 18 18 ILE HG22 H 1 0.100 0.005 . . . . . . 463 ILE HG2 . 19204 1 161 . 1 1 18 18 ILE HG23 H 1 0.100 0.005 . . . . . . 463 ILE HG2 . 19204 1 162 . 1 1 18 18 ILE HD11 H 1 -0.455 0.008 . . . . . . 463 ILE HD1 . 19204 1 163 . 1 1 18 18 ILE HD12 H 1 -0.455 0.008 . . . . . . 463 ILE HD1 . 19204 1 164 . 1 1 18 18 ILE HD13 H 1 -0.455 0.008 . . . . . . 463 ILE HD1 . 19204 1 165 . 1 1 18 18 ILE CA C 13 66.758 0.012 . . . . . . 463 ILE CA . 19204 1 166 . 1 1 18 18 ILE CB C 13 38.262 0.026 . . . . . . 463 ILE CB . 19204 1 167 . 1 1 18 18 ILE CG1 C 13 30.750 0.013 . . . . . . 463 ILE CG1 . 19204 1 168 . 1 1 18 18 ILE CG2 C 13 16.398 0.021 . . . . . . 463 ILE CG2 . 19204 1 169 . 1 1 18 18 ILE CD1 C 13 12.007 0.017 . . . . . . 463 ILE CD1 . 19204 1 170 . 1 1 18 18 ILE N N 15 125.909 0.028 . . . . . . 463 ILE N . 19204 1 171 . 1 1 19 19 GLU H H 1 6.850 0.003 . . . . . . 464 GLU H . 19204 1 172 . 1 1 19 19 GLU HA H 1 3.513 0.003 . . . . . . 464 GLU HA . 19204 1 173 . 1 1 19 19 GLU HB2 H 1 2.367 0.005 . . . . . . 464 GLU HB2 . 19204 1 174 . 1 1 19 19 GLU HB3 H 1 1.923 0.003 . . . . . . 464 GLU HB3 . 19204 1 175 . 1 1 19 19 GLU HG2 H 1 2.689 0.001 . . . . . . 464 GLU HG . 19204 1 176 . 1 1 19 19 GLU HG3 H 1 2.689 0.001 . . . . . . 464 GLU HG . 19204 1 177 . 1 1 19 19 GLU CA C 13 59.038 0.047 . . . . . . 464 GLU CA . 19204 1 178 . 1 1 19 19 GLU CB C 13 29.634 0.069 . . . . . . 464 GLU CB . 19204 1 179 . 1 1 19 19 GLU N N 15 117.399 0.013 . . . . . . 464 GLU N . 19204 1 180 . 1 1 20 20 ARG H H 1 6.703 0.002 . . . . . . 465 ARG H . 19204 1 181 . 1 1 20 20 ARG HA H 1 3.229 0.008 . . . . . . 465 ARG HA . 19204 1 182 . 1 1 20 20 ARG HB2 H 1 1.335 0.004 . . . . . . 465 ARG HB2 . 19204 1 183 . 1 1 20 20 ARG HB3 H 1 1.069 0.006 . . . . . . 465 ARG HB3 . 19204 1 184 . 1 1 20 20 ARG HG2 H 1 0.886 0.010 . . . . . . 465 ARG HG2 . 19204 1 185 . 1 1 20 20 ARG HG3 H 1 0.848 0.004 . . . . . . 465 ARG HG3 . 19204 1 186 . 1 1 20 20 ARG HD2 H 1 2.815 0.006 . . . . . . 465 ARG HD2 . 19204 1 187 . 1 1 20 20 ARG HD3 H 1 2.698 0.006 . . . . . . 465 ARG HD3 . 19204 1 188 . 1 1 20 20 ARG CA C 13 58.437 0.062 . . . . . . 465 ARG CA . 19204 1 189 . 1 1 20 20 ARG CB C 13 29.848 0.029 . . . . . . 465 ARG CB . 19204 1 190 . 1 1 20 20 ARG CG C 13 27.599 0.001 . . . . . . 465 ARG CG . 19204 1 191 . 1 1 20 20 ARG CD C 13 43.400 0.000 . . . . . . 465 ARG CD . 19204 1 192 . 1 1 20 20 ARG N N 15 114.922 0.037 . . . . . . 465 ARG N . 19204 1 193 . 1 1 21 21 ARG H H 1 7.956 0.007 . . . . . . 466 ARG H . 19204 1 194 . 1 1 21 21 ARG HA H 1 3.939 0.003 . . . . . . 466 ARG HA . 19204 1 195 . 1 1 21 21 ARG HB2 H 1 1.815 0.007 . . . . . . 466 ARG HB2 . 19204 1 196 . 1 1 21 21 ARG HB3 H 1 1.681 0.005 . . . . . . 466 ARG HB3 . 19204 1 197 . 1 1 21 21 ARG HG2 H 1 1.734 0.007 . . . . . . 466 ARG HG2 . 19204 1 198 . 1 1 21 21 ARG HG3 H 1 1.590 0.005 . . . . . . 466 ARG HG3 . 19204 1 199 . 1 1 21 21 ARG HD2 H 1 3.085 0.006 . . . . . . 466 ARG HD . 19204 1 200 . 1 1 21 21 ARG HD3 H 1 3.085 0.006 . . . . . . 466 ARG HD . 19204 1 201 . 1 1 21 21 ARG CA C 13 58.110 0.032 . . . . . . 466 ARG CA . 19204 1 202 . 1 1 21 21 ARG CB C 13 30.701 0.013 . . . . . . 466 ARG CB . 19204 1 203 . 1 1 21 21 ARG CG C 13 27.941 0.014 . . . . . . 466 ARG CG . 19204 1 204 . 1 1 21 21 ARG CD C 13 43.737 0.034 . . . . . . 466 ARG CD . 19204 1 205 . 1 1 21 21 ARG N N 15 115.300 0.001 . . . . . . 466 ARG N . 19204 1 206 . 1 1 22 22 ALA H H 1 7.235 0.003 . . . . . . 467 ALA H . 19204 1 207 . 1 1 22 22 ALA HA H 1 4.334 0.009 . . . . . . 467 ALA HA . 19204 1 208 . 1 1 22 22 ALA HB1 H 1 1.601 0.012 . . . . . . 467 ALA HB . 19204 1 209 . 1 1 22 22 ALA HB2 H 1 1.601 0.012 . . . . . . 467 ALA HB . 19204 1 210 . 1 1 22 22 ALA HB3 H 1 1.601 0.012 . . . . . . 467 ALA HB . 19204 1 211 . 1 1 22 22 ALA CA C 13 54.409 0.044 . . . . . . 467 ALA CA . 19204 1 212 . 1 1 22 22 ALA CB C 13 21.716 0.063 . . . . . . 467 ALA CB . 19204 1 213 . 1 1 22 22 ALA N N 15 120.378 0.035 . . . . . . 467 ALA N . 19204 1 214 . 1 1 23 23 LEU H H 1 7.203 0.003 . . . . . . 468 LEU H . 19204 1 215 . 1 1 23 23 LEU HA H 1 5.077 0.008 . . . . . . 468 LEU HA . 19204 1 216 . 1 1 23 23 LEU HB2 H 1 1.745 0.004 . . . . . . 468 LEU HB . 19204 1 217 . 1 1 23 23 LEU HB3 H 1 1.745 0.004 . . . . . . 468 LEU HB . 19204 1 218 . 1 1 23 23 LEU HG H 1 1.343 0.006 . . . . . . 468 LEU HG . 19204 1 219 . 1 1 23 23 LEU HD11 H 1 1.088 0.006 . . . . . . 468 LEU HD1 . 19204 1 220 . 1 1 23 23 LEU HD12 H 1 1.088 0.006 . . . . . . 468 LEU HD1 . 19204 1 221 . 1 1 23 23 LEU HD13 H 1 1.088 0.006 . . . . . . 468 LEU HD1 . 19204 1 222 . 1 1 23 23 LEU HD21 H 1 0.866 0.006 . . . . . . 468 LEU HD2 . 19204 1 223 . 1 1 23 23 LEU HD22 H 1 0.866 0.006 . . . . . . 468 LEU HD2 . 19204 1 224 . 1 1 23 23 LEU HD23 H 1 0.866 0.006 . . . . . . 468 LEU HD2 . 19204 1 225 . 1 1 23 23 LEU CA C 13 52.396 0.057 . . . . . . 468 LEU CA . 19204 1 226 . 1 1 23 23 LEU CB C 13 42.461 0.030 . . . . . . 468 LEU CB . 19204 1 227 . 1 1 23 23 LEU CG C 13 26.513 0.010 . . . . . . 468 LEU CG . 19204 1 228 . 1 1 23 23 LEU CD1 C 13 25.508 0.037 . . . . . . 468 LEU CD1 . 19204 1 229 . 1 1 23 23 LEU CD2 C 13 28.160 0.029 . . . . . . 468 LEU CD2 . 19204 1 230 . 1 1 23 23 LEU N N 15 118.289 0.023 . . . . . . 468 LEU N . 19204 1 231 . 1 1 24 24 PRO HA H 1 4.606 0.005 . . . . . . 469 PRO HA . 19204 1 232 . 1 1 24 24 PRO HB2 H 1 2.398 0.005 . . . . . . 469 PRO HB2 . 19204 1 233 . 1 1 24 24 PRO HB3 H 1 2.096 0.004 . . . . . . 469 PRO HB3 . 19204 1 234 . 1 1 24 24 PRO HG2 H 1 2.071 0.006 . . . . . . 469 PRO HG2 . 19204 1 235 . 1 1 24 24 PRO HG3 H 1 2.008 0.004 . . . . . . 469 PRO HG3 . 19204 1 236 . 1 1 24 24 PRO HD2 H 1 3.575 0.004 . . . . . . 469 PRO HD2 . 19204 1 237 . 1 1 24 24 PRO HD3 H 1 3.430 0.006 . . . . . . 469 PRO HD3 . 19204 1 238 . 1 1 24 24 PRO CA C 13 65.484 0.057 . . . . . . 469 PRO CA . 19204 1 239 . 1 1 24 24 PRO CB C 13 32.483 0.025 . . . . . . 469 PRO CB . 19204 1 240 . 1 1 24 24 PRO CG C 13 27.573 0.019 . . . . . . 469 PRO CG . 19204 1 241 . 1 1 24 24 PRO CD C 13 50.779 0.010 . . . . . . 469 PRO CD . 19204 1 242 . 1 1 25 25 GLU H H 1 9.628 0.006 . . . . . . 470 GLU H . 19204 1 243 . 1 1 25 25 GLU HA H 1 4.230 0.005 . . . . . . 470 GLU HA . 19204 1 244 . 1 1 25 25 GLU HB2 H 1 1.966 0.003 . . . . . . 470 GLU HB2 . 19204 1 245 . 1 1 25 25 GLU HB3 H 1 1.913 0.005 . . . . . . 470 GLU HB3 . 19204 1 246 . 1 1 25 25 GLU CA C 13 58.214 0.016 . . . . . . 470 GLU CA . 19204 1 247 . 1 1 25 25 GLU CB C 13 28.096 0.012 . . . . . . 470 GLU CB . 19204 1 248 . 1 1 25 25 GLU N N 15 119.402 0.009 . . . . . . 470 GLU N . 19204 1 249 . 1 1 26 26 PHE H H 1 7.104 0.002 . . . . . . 471 PHE H . 19204 1 250 . 1 1 26 26 PHE HA H 1 4.051 0.004 . . . . . . 471 PHE HA . 19204 1 251 . 1 1 26 26 PHE HB2 H 1 2.237 0.005 . . . . . . 471 PHE HB2 . 19204 1 252 . 1 1 26 26 PHE HB3 H 1 1.859 0.006 . . . . . . 471 PHE HB3 . 19204 1 253 . 1 1 26 26 PHE HD1 H 1 7.288 0.003 . . . . . . 471 PHE HD1 . 19204 1 254 . 1 1 26 26 PHE CA C 13 59.537 0.018 . . . . . . 471 PHE CA . 19204 1 255 . 1 1 26 26 PHE CB C 13 38.718 0.033 . . . . . . 471 PHE CB . 19204 1 256 . 1 1 26 26 PHE N N 15 115.199 0.013 . . . . . . 471 PHE N . 19204 1 257 . 1 1 27 27 PHE H H 1 7.478 0.002 . . . . . . 472 PHE H . 19204 1 258 . 1 1 27 27 PHE HA H 1 4.774 0.010 . . . . . . 472 PHE HA . 19204 1 259 . 1 1 27 27 PHE HB2 H 1 3.544 0.009 . . . . . . 472 PHE HB2 . 19204 1 260 . 1 1 27 27 PHE HB3 H 1 2.640 0.006 . . . . . . 472 PHE HB3 . 19204 1 261 . 1 1 27 27 PHE HD1 H 1 7.446 0.003 . . . . . . 472 PHE HD1 . 19204 1 262 . 1 1 27 27 PHE CA C 13 58.371 0.052 . . . . . . 472 PHE CA . 19204 1 263 . 1 1 27 27 PHE CB C 13 41.548 0.008 . . . . . . 472 PHE CB . 19204 1 264 . 1 1 27 27 PHE N N 15 113.201 0.003 . . . . . . 472 PHE N . 19204 1 265 . 1 1 28 28 ASN H H 1 7.431 0.007 . . . . . . 473 ASN H . 19204 1 266 . 1 1 28 28 ASN HA H 1 4.733 0.007 . . . . . . 473 ASN HA . 19204 1 267 . 1 1 28 28 ASN HB2 H 1 3.267 0.006 . . . . . . 473 ASN HB2 . 19204 1 268 . 1 1 28 28 ASN HB3 H 1 2.924 0.006 . . . . . . 473 ASN HB3 . 19204 1 269 . 1 1 28 28 ASN CA C 13 53.005 0.052 . . . . . . 473 ASN CA . 19204 1 270 . 1 1 28 28 ASN CB C 13 38.570 0.023 . . . . . . 473 ASN CB . 19204 1 271 . 1 1 28 28 ASN N N 15 116.292 0.026 . . . . . . 473 ASN N . 19204 1 272 . 1 1 29 29 GLY H H 1 8.533 0.002 . . . . . . 474 GLY H . 19204 1 273 . 1 1 29 29 GLY HA2 H 1 4.034 0.004 . . . . . . 474 GLY HA2 . 19204 1 274 . 1 1 29 29 GLY HA3 H 1 3.954 0.002 . . . . . . 474 GLY HA3 . 19204 1 275 . 1 1 29 29 GLY CA C 13 46.550 0.023 . . . . . . 474 GLY CA . 19204 1 276 . 1 1 29 29 GLY N N 15 109.646 0.048 . . . . . . 474 GLY N . 19204 1 277 . 1 1 30 30 LYS H H 1 7.655 0.003 . . . . . . 475 LYS H . 19204 1 278 . 1 1 30 30 LYS HA H 1 4.236 0.003 . . . . . . 475 LYS HA . 19204 1 279 . 1 1 30 30 LYS HB2 H 1 1.881 0.003 . . . . . . 475 LYS HB2 . 19204 1 280 . 1 1 30 30 LYS HB3 H 1 1.691 0.004 . . . . . . 475 LYS HB3 . 19204 1 281 . 1 1 30 30 LYS HG2 H 1 1.376 0.005 . . . . . . 475 LYS HG2 . 19204 1 282 . 1 1 30 30 LYS HG3 H 1 1.292 0.004 . . . . . . 475 LYS HG3 . 19204 1 283 . 1 1 30 30 LYS HD2 H 1 1.667 0.004 . . . . . . 475 LYS HD . 19204 1 284 . 1 1 30 30 LYS HD3 H 1 1.667 0.004 . . . . . . 475 LYS HD . 19204 1 285 . 1 1 30 30 LYS HE2 H 1 3.042 0.005 . . . . . . 475 LYS HE2 . 19204 1 286 . 1 1 30 30 LYS HE3 H 1 3.008 0.004 . . . . . . 475 LYS HE3 . 19204 1 287 . 1 1 30 30 LYS CA C 13 57.691 0.016 . . . . . . 475 LYS CA . 19204 1 288 . 1 1 30 30 LYS CB C 13 33.310 0.030 . . . . . . 475 LYS CB . 19204 1 289 . 1 1 30 30 LYS CG C 13 25.451 0.002 . . . . . . 475 LYS CG . 19204 1 290 . 1 1 30 30 LYS CD C 13 28.970 0.000 . . . . . . 475 LYS CD . 19204 1 291 . 1 1 30 30 LYS CE C 13 42.400 0.000 . . . . . . 475 LYS CE . 19204 1 292 . 1 1 30 30 LYS N N 15 118.302 0.021 . . . . . . 475 LYS N . 19204 1 293 . 1 1 31 31 ASN H H 1 8.762 0.003 . . . . . . 476 ASN H . 19204 1 294 . 1 1 31 31 ASN HA H 1 5.023 0.005 . . . . . . 476 ASN HA . 19204 1 295 . 1 1 31 31 ASN HB2 H 1 2.835 0.005 . . . . . . 476 ASN HB2 . 19204 1 296 . 1 1 31 31 ASN HB3 H 1 2.746 0.003 . . . . . . 476 ASN HB3 . 19204 1 297 . 1 1 31 31 ASN CA C 13 52.350 0.004 . . . . . . 476 ASN CA . 19204 1 298 . 1 1 31 31 ASN CB C 13 41.018 0.005 . . . . . . 476 ASN CB . 19204 1 299 . 1 1 31 31 ASN N N 15 118.521 0.032 . . . . . . 476 ASN N . 19204 1 300 . 1 1 32 32 LYS HA H 1 4.035 0.010 . . . . . . 477 LYS HA . 19204 1 301 . 1 1 32 32 LYS HB2 H 1 1.913 0.006 . . . . . . 477 LYS HB . 19204 1 302 . 1 1 32 32 LYS HB3 H 1 1.913 0.006 . . . . . . 477 LYS HB . 19204 1 303 . 1 1 32 32 LYS HG2 H 1 1.548 0.004 . . . . . . 477 LYS HG . 19204 1 304 . 1 1 32 32 LYS HG3 H 1 1.548 0.004 . . . . . . 477 LYS HG . 19204 1 305 . 1 1 32 32 LYS HD2 H 1 1.741 0.005 . . . . . . 477 LYS HD . 19204 1 306 . 1 1 32 32 LYS HD3 H 1 1.741 0.005 . . . . . . 477 LYS HD . 19204 1 307 . 1 1 32 32 LYS HE2 H 1 3.071 0.006 . . . . . . 477 LYS HE . 19204 1 308 . 1 1 32 32 LYS HE3 H 1 3.071 0.006 . . . . . . 477 LYS HE . 19204 1 309 . 1 1 32 32 LYS CA C 13 58.882 0.050 . . . . . . 477 LYS CA . 19204 1 310 . 1 1 32 32 LYS CB C 13 32.256 0.042 . . . . . . 477 LYS CB . 19204 1 311 . 1 1 32 32 LYS CG C 13 25.022 0.044 . . . . . . 477 LYS CG . 19204 1 312 . 1 1 32 32 LYS CD C 13 29.280 0.001 . . . . . . 477 LYS CD . 19204 1 313 . 1 1 32 32 LYS CE C 13 42.360 0.000 . . . . . . 477 LYS CE . 19204 1 314 . 1 1 33 33 SER H H 1 8.301 0.003 . . . . . . 478 SER H . 19204 1 315 . 1 1 33 33 SER HA H 1 4.539 0.005 . . . . . . 478 SER HA . 19204 1 316 . 1 1 33 33 SER HB2 H 1 4.016 0.005 . . . . . . 478 SER HB . 19204 1 317 . 1 1 33 33 SER HB3 H 1 4.016 0.005 . . . . . . 478 SER HB . 19204 1 318 . 1 1 33 33 SER CA C 13 58.921 0.017 . . . . . . 478 SER CA . 19204 1 319 . 1 1 33 33 SER CB C 13 63.826 0.019 . . . . . . 478 SER CB . 19204 1 320 . 1 1 33 33 SER N N 15 111.329 0.038 . . . . . . 478 SER N . 19204 1 321 . 1 1 34 34 LYS H H 1 7.479 0.003 . . . . . . 479 LYS H . 19204 1 322 . 1 1 34 34 LYS HA H 1 4.432 0.005 . . . . . . 479 LYS HA . 19204 1 323 . 1 1 34 34 LYS HB2 H 1 1.642 0.009 . . . . . . 479 LYS HB2 . 19204 1 324 . 1 1 34 34 LYS HB3 H 1 0.965 0.006 . . . . . . 479 LYS HB3 . 19204 1 325 . 1 1 34 34 LYS HG2 H 1 1.091 0.005 . . . . . . 479 LYS HG2 . 19204 1 326 . 1 1 34 34 LYS HG3 H 1 0.939 0.005 . . . . . . 479 LYS HG3 . 19204 1 327 . 1 1 34 34 LYS HD2 H 1 1.095 0.003 . . . . . . 479 LYS HD2 . 19204 1 328 . 1 1 34 34 LYS HD3 H 1 0.987 0.005 . . . . . . 479 LYS HD3 . 19204 1 329 . 1 1 34 34 LYS HE2 H 1 2.768 0.008 . . . . . . 479 LYS HE2 . 19204 1 330 . 1 1 34 34 LYS HE3 H 1 2.680 0.005 . . . . . . 479 LYS HE3 . 19204 1 331 . 1 1 34 34 LYS CA C 13 56.764 0.028 . . . . . . 479 LYS CA . 19204 1 332 . 1 1 34 34 LYS CB C 13 34.603 0.016 . . . . . . 479 LYS CB . 19204 1 333 . 1 1 34 34 LYS CG C 13 25.199 0.003 . . . . . . 479 LYS CG . 19204 1 334 . 1 1 34 34 LYS CD C 13 30.161 0.007 . . . . . . 479 LYS CD . 19204 1 335 . 1 1 34 34 LYS CE C 13 42.520 0.000 . . . . . . 479 LYS CE . 19204 1 336 . 1 1 34 34 LYS N N 15 121.760 0.056 . . . . . . 479 LYS N . 19204 1 337 . 1 1 35 35 THR H H 1 6.325 0.002 . . . . . . 480 THR H . 19204 1 338 . 1 1 35 35 THR HA H 1 5.132 0.002 . . . . . . 480 THR HA . 19204 1 339 . 1 1 35 35 THR HB H 1 4.833 0.005 . . . . . . 480 THR HB . 19204 1 340 . 1 1 35 35 THR HG21 H 1 1.280 0.002 . . . . . . 480 THR HG2 . 19204 1 341 . 1 1 35 35 THR HG22 H 1 1.280 0.002 . . . . . . 480 THR HG2 . 19204 1 342 . 1 1 35 35 THR HG23 H 1 1.280 0.002 . . . . . . 480 THR HG2 . 19204 1 343 . 1 1 35 35 THR CA C 13 58.664 0.024 . . . . . . 480 THR CA . 19204 1 344 . 1 1 35 35 THR CB C 13 70.172 0.000 . . . . . . 480 THR CB . 19204 1 345 . 1 1 35 35 THR CG2 C 13 21.980 0.000 . . . . . . 480 THR CG2 . 19204 1 346 . 1 1 35 35 THR N N 15 111.540 0.044 . . . . . . 480 THR N . 19204 1 347 . 1 1 36 36 PRO HA H 1 3.942 0.002 . . . . . . 481 PRO HA . 19204 1 348 . 1 1 36 36 PRO HB2 H 1 2.506 0.002 . . . . . . 481 PRO HB2 . 19204 1 349 . 1 1 36 36 PRO HB3 H 1 2.087 0.005 . . . . . . 481 PRO HB3 . 19204 1 350 . 1 1 36 36 PRO HG2 H 1 2.427 0.000 . . . . . . 481 PRO HG2 . 19204 1 351 . 1 1 36 36 PRO HG3 H 1 2.140 0.003 . . . . . . 481 PRO HG3 . 19204 1 352 . 1 1 36 36 PRO HD2 H 1 4.096 0.001 . . . . . . 481 PRO HD2 . 19204 1 353 . 1 1 36 36 PRO HD3 H 1 4.008 0.004 . . . . . . 481 PRO HD3 . 19204 1 354 . 1 1 36 36 PRO CA C 13 65.650 0.012 . . . . . . 481 PRO CA . 19204 1 355 . 1 1 36 36 PRO CB C 13 32.340 0.015 . . . . . . 481 PRO CB . 19204 1 356 . 1 1 36 36 PRO CG C 13 28.790 0.001 . . . . . . 481 PRO CG . 19204 1 357 . 1 1 36 36 PRO CD C 13 51.001 0.001 . . . . . . 481 PRO CD . 19204 1 358 . 1 1 37 37 GLU H H 1 8.257 0.002 . . . . . . 482 GLU H . 19204 1 359 . 1 1 37 37 GLU HA H 1 3.999 0.004 . . . . . . 482 GLU HA . 19204 1 360 . 1 1 37 37 GLU HB2 H 1 2.113 0.003 . . . . . . 482 GLU HB2 . 19204 1 361 . 1 1 37 37 GLU HB3 H 1 1.970 0.004 . . . . . . 482 GLU HB3 . 19204 1 362 . 1 1 37 37 GLU HG2 H 1 2.532 0.009 . . . . . . 482 GLU HG2 . 19204 1 363 . 1 1 37 37 GLU HG3 H 1 2.307 0.003 . . . . . . 482 GLU HG3 . 19204 1 364 . 1 1 37 37 GLU CA C 13 60.802 0.040 . . . . . . 482 GLU CA . 19204 1 365 . 1 1 37 37 GLU CB C 13 29.073 0.029 . . . . . . 482 GLU CB . 19204 1 366 . 1 1 37 37 GLU N N 15 114.620 0.029 . . . . . . 482 GLU N . 19204 1 367 . 1 1 38 38 ILE H H 1 7.582 0.001 . . . . . . 483 ILE H . 19204 1 368 . 1 1 38 38 ILE HA H 1 3.716 0.005 . . . . . . 483 ILE HA . 19204 1 369 . 1 1 38 38 ILE HB H 1 1.788 0.005 . . . . . . 483 ILE HB . 19204 1 370 . 1 1 38 38 ILE HG12 H 1 1.593 0.004 . . . . . . 483 ILE HG12 . 19204 1 371 . 1 1 38 38 ILE HG13 H 1 1.245 0.008 . . . . . . 483 ILE HG13 . 19204 1 372 . 1 1 38 38 ILE HG21 H 1 0.908 0.004 . . . . . . 483 ILE HG2 . 19204 1 373 . 1 1 38 38 ILE HG22 H 1 0.908 0.004 . . . . . . 483 ILE HG2 . 19204 1 374 . 1 1 38 38 ILE HG23 H 1 0.908 0.004 . . . . . . 483 ILE HG2 . 19204 1 375 . 1 1 38 38 ILE HD11 H 1 0.705 0.007 . . . . . . 483 ILE HD1 . 19204 1 376 . 1 1 38 38 ILE HD12 H 1 0.705 0.007 . . . . . . 483 ILE HD1 . 19204 1 377 . 1 1 38 38 ILE HD13 H 1 0.705 0.007 . . . . . . 483 ILE HD1 . 19204 1 378 . 1 1 38 38 ILE CA C 13 64.145 0.021 . . . . . . 483 ILE CA . 19204 1 379 . 1 1 38 38 ILE CB C 13 38.592 0.029 . . . . . . 483 ILE CB . 19204 1 380 . 1 1 38 38 ILE CG1 C 13 29.453 0.020 . . . . . . 483 ILE CG1 . 19204 1 381 . 1 1 38 38 ILE CG2 C 13 12.311 0.001 . . . . . . 483 ILE CG2 . 19204 1 382 . 1 1 38 38 ILE CD1 C 13 16.810 0.022 . . . . . . 483 ILE CD1 . 19204 1 383 . 1 1 38 38 ILE N N 15 123.410 0.017 . . . . . . 483 ILE N . 19204 1 384 . 1 1 39 39 TYR H H 1 8.009 0.003 . . . . . . 484 TYR H . 19204 1 385 . 1 1 39 39 TYR HA H 1 3.243 0.002 . . . . . . 484 TYR HA . 19204 1 386 . 1 1 39 39 TYR HB2 H 1 2.781 0.003 . . . . . . 484 TYR HB2 . 19204 1 387 . 1 1 39 39 TYR HB3 H 1 2.142 0.005 . . . . . . 484 TYR HB3 . 19204 1 388 . 1 1 39 39 TYR HD1 H 1 7.306 0.001 . . . . . . 484 TYR HD1 . 19204 1 389 . 1 1 39 39 TYR HE1 H 1 6.996 0.001 . . . . . . 484 TYR HE1 . 19204 1 390 . 1 1 39 39 TYR CA C 13 62.156 0.012 . . . . . . 484 TYR CA . 19204 1 391 . 1 1 39 39 TYR CB C 13 37.000 0.006 . . . . . . 484 TYR CB . 19204 1 392 . 1 1 39 39 TYR N N 15 119.405 0.013 . . . . . . 484 TYR N . 19204 1 393 . 1 1 40 40 LEU H H 1 7.954 0.002 . . . . . . 485 LEU H . 19204 1 394 . 1 1 40 40 LEU HA H 1 3.434 0.007 . . . . . . 485 LEU HA . 19204 1 395 . 1 1 40 40 LEU HB2 H 1 1.699 0.005 . . . . . . 485 LEU HB2 . 19204 1 396 . 1 1 40 40 LEU HB3 H 1 1.598 0.007 . . . . . . 485 LEU HB3 . 19204 1 397 . 1 1 40 40 LEU HG H 1 1.688 0.004 . . . . . . 485 LEU HG . 19204 1 398 . 1 1 40 40 LEU HD11 H 1 0.829 0.007 . . . . . . 485 LEU HD1 . 19204 1 399 . 1 1 40 40 LEU HD12 H 1 0.829 0.007 . . . . . . 485 LEU HD1 . 19204 1 400 . 1 1 40 40 LEU HD13 H 1 0.829 0.007 . . . . . . 485 LEU HD1 . 19204 1 401 . 1 1 40 40 LEU CA C 13 58.557 0.034 . . . . . . 485 LEU CA . 19204 1 402 . 1 1 40 40 LEU CB C 13 43.012 0.025 . . . . . . 485 LEU CB . 19204 1 403 . 1 1 40 40 LEU CG C 13 27.153 0.047 . . . . . . 485 LEU CG . 19204 1 404 . 1 1 40 40 LEU CD1 C 13 25.014 0.030 . . . . . . 485 LEU CD1 . 19204 1 405 . 1 1 40 40 LEU N N 15 117.599 0.004 . . . . . . 485 LEU N . 19204 1 406 . 1 1 41 41 ALA H H 1 7.384 0.002 . . . . . . 486 ALA H . 19204 1 407 . 1 1 41 41 ALA HA H 1 4.178 0.009 . . . . . . 486 ALA HA . 19204 1 408 . 1 1 41 41 ALA HB1 H 1 1.571 0.012 . . . . . . 486 ALA HB . 19204 1 409 . 1 1 41 41 ALA HB2 H 1 1.571 0.012 . . . . . . 486 ALA HB . 19204 1 410 . 1 1 41 41 ALA HB3 H 1 1.571 0.012 . . . . . . 486 ALA HB . 19204 1 411 . 1 1 41 41 ALA CA C 13 55.309 0.036 . . . . . . 486 ALA CA . 19204 1 412 . 1 1 41 41 ALA CB C 13 18.084 0.065 . . . . . . 486 ALA CB . 19204 1 413 . 1 1 41 41 ALA N N 15 119.543 0.037 . . . . . . 486 ALA N . 19204 1 414 . 1 1 42 42 TYR H H 1 8.535 0.003 . . . . . . 487 TYR H . 19204 1 415 . 1 1 42 42 TYR HA H 1 4.557 0.009 . . . . . . 487 TYR HA . 19204 1 416 . 1 1 42 42 TYR HB2 H 1 3.480 0.005 . . . . . . 487 TYR HB2 . 19204 1 417 . 1 1 42 42 TYR HB3 H 1 2.946 0.007 . . . . . . 487 TYR HB3 . 19204 1 418 . 1 1 42 42 TYR HD1 H 1 6.997 0.004 . . . . . . 487 TYR HD1 . 19204 1 419 . 1 1 42 42 TYR CA C 13 58.562 0.010 . . . . . . 487 TYR CA . 19204 1 420 . 1 1 42 42 TYR CB C 13 37.942 0.011 . . . . . . 487 TYR CB . 19204 1 421 . 1 1 42 42 TYR N N 15 118.904 0.010 . . . . . . 487 TYR N . 19204 1 422 . 1 1 43 43 ARG H H 1 9.006 0.005 . . . . . . 488 ARG H . 19204 1 423 . 1 1 43 43 ARG HA H 1 3.690 0.006 . . . . . . 488 ARG HA . 19204 1 424 . 1 1 43 43 ARG HB2 H 1 1.586 0.004 . . . . . . 488 ARG HB2 . 19204 1 425 . 1 1 43 43 ARG HB3 H 1 1.288 0.003 . . . . . . 488 ARG HB3 . 19204 1 426 . 1 1 43 43 ARG HG2 H 1 2.054 0.000 . . . . . . 488 ARG HG . 19204 1 427 . 1 1 43 43 ARG HG3 H 1 2.054 0.000 . . . . . . 488 ARG HG . 19204 1 428 . 1 1 43 43 ARG CA C 13 59.413 0.082 . . . . . . 488 ARG CA . 19204 1 429 . 1 1 43 43 ARG CB C 13 31.512 0.076 . . . . . . 488 ARG CB . 19204 1 430 . 1 1 43 43 ARG N N 15 119.224 0.053 . . . . . . 488 ARG N . 19204 1 431 . 1 1 44 44 ASN H H 1 8.824 0.005 . . . . . . 489 ASN H . 19204 1 432 . 1 1 44 44 ASN HA H 1 4.481 0.004 . . . . . . 489 ASN HA . 19204 1 433 . 1 1 44 44 ASN HB2 H 1 2.969 0.005 . . . . . . 489 ASN HB2 . 19204 1 434 . 1 1 44 44 ASN HB3 H 1 2.868 0.005 . . . . . . 489 ASN HB3 . 19204 1 435 . 1 1 44 44 ASN CA C 13 55.652 0.049 . . . . . . 489 ASN CA . 19204 1 436 . 1 1 44 44 ASN CB C 13 35.769 0.003 . . . . . . 489 ASN CB . 19204 1 437 . 1 1 44 44 ASN N N 15 117.015 0.044 . . . . . . 489 ASN N . 19204 1 438 . 1 1 45 45 PHE H H 1 7.772 0.002 . . . . . . 490 PHE H . 19204 1 439 . 1 1 45 45 PHE HA H 1 4.496 0.006 . . . . . . 490 PHE HA . 19204 1 440 . 1 1 45 45 PHE HB2 H 1 3.562 0.008 . . . . . . 490 PHE HB2 . 19204 1 441 . 1 1 45 45 PHE HB3 H 1 3.445 0.009 . . . . . . 490 PHE HB3 . 19204 1 442 . 1 1 45 45 PHE HD1 H 1 7.282 0.007 . . . . . . 490 PHE HD1 . 19204 1 443 . 1 1 45 45 PHE CA C 13 62.371 0.014 . . . . . . 490 PHE CA . 19204 1 444 . 1 1 45 45 PHE CB C 13 39.457 0.020 . . . . . . 490 PHE CB . 19204 1 445 . 1 1 45 45 PHE N N 15 119.903 0.010 . . . . . . 490 PHE N . 19204 1 446 . 1 1 46 46 MET H H 1 7.980 0.003 . . . . . . 491 MET H . 19204 1 447 . 1 1 46 46 MET HA H 1 3.733 0.005 . . . . . . 491 MET HA . 19204 1 448 . 1 1 46 46 MET HB2 H 1 2.386 0.007 . . . . . . 491 MET HB2 . 19204 1 449 . 1 1 46 46 MET HB3 H 1 1.724 0.003 . . . . . . 491 MET HB3 . 19204 1 450 . 1 1 46 46 MET CA C 13 61.385 0.042 . . . . . . 491 MET CA . 19204 1 451 . 1 1 46 46 MET CB C 13 32.526 0.058 . . . . . . 491 MET CB . 19204 1 452 . 1 1 46 46 MET N N 15 121.198 0.023 . . . . . . 491 MET N . 19204 1 453 . 1 1 47 47 ILE H H 1 8.060 0.002 . . . . . . 492 ILE H . 19204 1 454 . 1 1 47 47 ILE HA H 1 3.626 0.005 . . . . . . 492 ILE HA . 19204 1 455 . 1 1 47 47 ILE HB H 1 2.020 0.005 . . . . . . 492 ILE HB . 19204 1 456 . 1 1 47 47 ILE HG12 H 1 1.854 0.006 . . . . . . 492 ILE HG12 . 19204 1 457 . 1 1 47 47 ILE HG13 H 1 1.065 0.009 . . . . . . 492 ILE HG13 . 19204 1 458 . 1 1 47 47 ILE HG21 H 1 1.078 0.004 . . . . . . 492 ILE HG2 . 19204 1 459 . 1 1 47 47 ILE HG22 H 1 1.078 0.004 . . . . . . 492 ILE HG2 . 19204 1 460 . 1 1 47 47 ILE HG23 H 1 1.078 0.004 . . . . . . 492 ILE HG2 . 19204 1 461 . 1 1 47 47 ILE HD11 H 1 0.712 0.004 . . . . . . 492 ILE HD1 . 19204 1 462 . 1 1 47 47 ILE HD12 H 1 0.712 0.004 . . . . . . 492 ILE HD1 . 19204 1 463 . 1 1 47 47 ILE HD13 H 1 0.712 0.004 . . . . . . 492 ILE HD1 . 19204 1 464 . 1 1 47 47 ILE CA C 13 65.830 0.048 . . . . . . 492 ILE CA . 19204 1 465 . 1 1 47 47 ILE CB C 13 38.636 0.057 . . . . . . 492 ILE CB . 19204 1 466 . 1 1 47 47 ILE CG1 C 13 28.872 0.002 . . . . . . 492 ILE CG1 . 19204 1 467 . 1 1 47 47 ILE CG2 C 13 15.955 0.036 . . . . . . 492 ILE CG2 . 19204 1 468 . 1 1 47 47 ILE CD1 C 13 15.130 0.022 . . . . . . 492 ILE CD1 . 19204 1 469 . 1 1 47 47 ILE N N 15 118.744 0.042 . . . . . . 492 ILE N . 19204 1 470 . 1 1 48 48 ASP H H 1 8.907 0.003 . . . . . . 493 ASP H . 19204 1 471 . 1 1 48 48 ASP HA H 1 4.324 0.006 . . . . . . 493 ASP HA . 19204 1 472 . 1 1 48 48 ASP HB2 H 1 2.867 0.005 . . . . . . 493 ASP HB2 . 19204 1 473 . 1 1 48 48 ASP HB3 H 1 2.581 0.008 . . . . . . 493 ASP HB3 . 19204 1 474 . 1 1 48 48 ASP CA C 13 57.707 0.024 . . . . . . 493 ASP CA . 19204 1 475 . 1 1 48 48 ASP CB C 13 40.141 0.004 . . . . . . 493 ASP CB . 19204 1 476 . 1 1 48 48 ASP N N 15 119.267 0.045 . . . . . . 493 ASP N . 19204 1 477 . 1 1 49 49 THR H H 1 7.931 0.003 . . . . . . 494 THR H . 19204 1 478 . 1 1 49 49 THR HA H 1 3.663 0.004 . . . . . . 494 THR HA . 19204 1 479 . 1 1 49 49 THR HB H 1 3.823 0.003 . . . . . . 494 THR HB . 19204 1 480 . 1 1 49 49 THR HG21 H 1 1.119 0.011 . . . . . . 494 THR HG2 . 19204 1 481 . 1 1 49 49 THR HG22 H 1 1.119 0.011 . . . . . . 494 THR HG2 . 19204 1 482 . 1 1 49 49 THR HG23 H 1 1.119 0.011 . . . . . . 494 THR HG2 . 19204 1 483 . 1 1 49 49 THR CA C 13 67.358 0.016 . . . . . . 494 THR CA . 19204 1 484 . 1 1 49 49 THR CB C 13 68.311 0.010 . . . . . . 494 THR CB . 19204 1 485 . 1 1 49 49 THR CG2 C 13 21.730 0.000 . . . . . . 494 THR CG2 . 19204 1 486 . 1 1 49 49 THR N N 15 115.915 0.043 . . . . . . 494 THR N . 19204 1 487 . 1 1 50 50 TYR H H 1 8.312 0.003 . . . . . . 495 TYR H . 19204 1 488 . 1 1 50 50 TYR HA H 1 4.489 0.007 . . . . . . 495 TYR HA . 19204 1 489 . 1 1 50 50 TYR HB2 H 1 3.264 0.004 . . . . . . 495 TYR HB2 . 19204 1 490 . 1 1 50 50 TYR HB3 H 1 3.149 0.005 . . . . . . 495 TYR HB3 . 19204 1 491 . 1 1 50 50 TYR CA C 13 61.298 0.006 . . . . . . 495 TYR CA . 19204 1 492 . 1 1 50 50 TYR CB C 13 39.241 0.009 . . . . . . 495 TYR CB . 19204 1 493 . 1 1 50 50 TYR N N 15 122.806 0.019 . . . . . . 495 TYR N . 19204 1 494 . 1 1 51 51 ARG H H 1 8.169 0.003 . . . . . . 496 ARG H . 19204 1 495 . 1 1 51 51 ARG HA H 1 3.467 0.005 . . . . . . 496 ARG HA . 19204 1 496 . 1 1 51 51 ARG HB2 H 1 1.920 0.005 . . . . . . 496 ARG HB . 19204 1 497 . 1 1 51 51 ARG HB3 H 1 1.920 0.005 . . . . . . 496 ARG HB . 19204 1 498 . 1 1 51 51 ARG HG2 H 1 1.966 0.004 . . . . . . 496 ARG HG2 . 19204 1 499 . 1 1 51 51 ARG HG3 H 1 1.930 0.007 . . . . . . 496 ARG HG3 . 19204 1 500 . 1 1 51 51 ARG HD2 H 1 3.237 0.004 . . . . . . 496 ARG HD . 19204 1 501 . 1 1 51 51 ARG HD3 H 1 3.237 0.004 . . . . . . 496 ARG HD . 19204 1 502 . 1 1 51 51 ARG CA C 13 59.631 0.027 . . . . . . 496 ARG CA . 19204 1 503 . 1 1 51 51 ARG CB C 13 29.997 0.012 . . . . . . 496 ARG CB . 19204 1 504 . 1 1 51 51 ARG CG C 13 27.611 0.039 . . . . . . 496 ARG CG . 19204 1 505 . 1 1 51 51 ARG N N 15 113.933 0.040 . . . . . . 496 ARG N . 19204 1 506 . 1 1 52 52 LEU H H 1 7.089 0.003 . . . . . . 497 LEU H . 19204 1 507 . 1 1 52 52 LEU HA H 1 4.132 0.007 . . . . . . 497 LEU HA . 19204 1 508 . 1 1 52 52 LEU HB2 H 1 1.843 0.007 . . . . . . 497 LEU HB2 . 19204 1 509 . 1 1 52 52 LEU HB3 H 1 1.551 0.005 . . . . . . 497 LEU HB3 . 19204 1 510 . 1 1 52 52 LEU HG H 1 1.939 0.007 . . . . . . 497 LEU HG . 19204 1 511 . 1 1 52 52 LEU HD11 H 1 0.960 0.007 . . . . . . 497 LEU HD1 . 19204 1 512 . 1 1 52 52 LEU HD12 H 1 0.960 0.007 . . . . . . 497 LEU HD1 . 19204 1 513 . 1 1 52 52 LEU HD13 H 1 0.960 0.007 . . . . . . 497 LEU HD1 . 19204 1 514 . 1 1 52 52 LEU HD21 H 1 0.917 0.007 . . . . . . 497 LEU HD2 . 19204 1 515 . 1 1 52 52 LEU HD22 H 1 0.917 0.007 . . . . . . 497 LEU HD2 . 19204 1 516 . 1 1 52 52 LEU HD23 H 1 0.917 0.007 . . . . . . 497 LEU HD2 . 19204 1 517 . 1 1 52 52 LEU CA C 13 57.146 0.029 . . . . . . 497 LEU CA . 19204 1 518 . 1 1 52 52 LEU CB C 13 43.001 0.016 . . . . . . 497 LEU CB . 19204 1 519 . 1 1 52 52 LEU CG C 13 26.400 0.001 . . . . . . 497 LEU CG . 19204 1 520 . 1 1 52 52 LEU CD1 C 13 25.413 0.024 . . . . . . 497 LEU CD1 . 19204 1 521 . 1 1 52 52 LEU CD2 C 13 23.277 0.039 . . . . . . 497 LEU CD2 . 19204 1 522 . 1 1 52 52 LEU N N 15 118.303 0.013 . . . . . . 497 LEU N . 19204 1 523 . 1 1 53 53 ASN H H 1 7.020 0.002 . . . . . . 498 ASN H . 19204 1 524 . 1 1 53 53 ASN HA H 1 4.955 0.006 . . . . . . 498 ASN HA . 19204 1 525 . 1 1 53 53 ASN HB2 H 1 2.745 0.005 . . . . . . 498 ASN HB2 . 19204 1 526 . 1 1 53 53 ASN HB3 H 1 2.641 0.005 . . . . . . 498 ASN HB3 . 19204 1 527 . 1 1 53 53 ASN CA C 13 51.757 0.009 . . . . . . 498 ASN CA . 19204 1 528 . 1 1 53 53 ASN CB C 13 39.693 0.027 . . . . . . 498 ASN CB . 19204 1 529 . 1 1 53 53 ASN N N 15 111.867 0.037 . . . . . . 498 ASN N . 19204 1 530 . 1 1 54 54 PRO HA H 1 3.493 0.004 . . . . . . 499 PRO HA . 19204 1 531 . 1 1 54 54 PRO HB2 H 1 1.774 0.005 . . . . . . 499 PRO HB2 . 19204 1 532 . 1 1 54 54 PRO HB3 H 1 1.675 0.004 . . . . . . 499 PRO HB3 . 19204 1 533 . 1 1 54 54 PRO HG2 H 1 1.870 0.003 . . . . . . 499 PRO HG2 . 19204 1 534 . 1 1 54 54 PRO HG3 H 1 1.765 0.004 . . . . . . 499 PRO HG3 . 19204 1 535 . 1 1 54 54 PRO HD2 H 1 3.588 0.006 . . . . . . 499 PRO HD2 . 19204 1 536 . 1 1 54 54 PRO HD3 H 1 3.362 0.004 . . . . . . 499 PRO HD3 . 19204 1 537 . 1 1 54 54 PRO CA C 13 64.171 0.009 . . . . . . 499 PRO CA . 19204 1 538 . 1 1 54 54 PRO CB C 13 31.906 0.024 . . . . . . 499 PRO CB . 19204 1 539 . 1 1 54 54 PRO CG C 13 27.350 0.000 . . . . . . 499 PRO CG . 19204 1 540 . 1 1 54 54 PRO CD C 13 49.543 0.008 . . . . . . 499 PRO CD . 19204 1 541 . 1 1 55 55 GLN H H 1 8.097 0.002 . . . . . . 500 GLN H . 19204 1 542 . 1 1 55 55 GLN HA H 1 4.375 0.007 . . . . . . 500 GLN HA . 19204 1 543 . 1 1 55 55 GLN HB2 H 1 2.263 0.005 . . . . . . 500 GLN HB2 . 19204 1 544 . 1 1 55 55 GLN HB3 H 1 2.157 0.004 . . . . . . 500 GLN HB3 . 19204 1 545 . 1 1 55 55 GLN HG2 H 1 2.519 0.005 . . . . . . 500 GLN HG2 . 19204 1 546 . 1 1 55 55 GLN HG3 H 1 2.453 0.004 . . . . . . 500 GLN HG3 . 19204 1 547 . 1 1 55 55 GLN CA C 13 57.020 0.042 . . . . . . 500 GLN CA . 19204 1 548 . 1 1 55 55 GLN CB C 13 28.498 0.030 . . . . . . 500 GLN CB . 19204 1 549 . 1 1 55 55 GLN CG C 13 34.800 0.000 . . . . . . 500 GLN CG . 19204 1 550 . 1 1 55 55 GLN N N 15 116.604 0.009 . . . . . . 500 GLN N . 19204 1 551 . 1 1 56 56 GLU H H 1 7.627 0.003 . . . . . . 501 GLU H . 19204 1 552 . 1 1 56 56 GLU HA H 1 4.620 0.005 . . . . . . 501 GLU HA . 19204 1 553 . 1 1 56 56 GLU HB2 H 1 2.118 0.004 . . . . . . 501 GLU HB2 . 19204 1 554 . 1 1 56 56 GLU HB3 H 1 1.917 0.003 . . . . . . 501 GLU HB3 . 19204 1 555 . 1 1 56 56 GLU HG2 H 1 2.257 0.004 . . . . . . 501 GLU HG . 19204 1 556 . 1 1 56 56 GLU HG3 H 1 2.257 0.004 . . . . . . 501 GLU HG . 19204 1 557 . 1 1 56 56 GLU CA C 13 54.679 0.096 . . . . . . 501 GLU CA . 19204 1 558 . 1 1 56 56 GLU CB C 13 32.139 0.040 . . . . . . 501 GLU CB . 19204 1 559 . 1 1 56 56 GLU N N 15 121.508 0.020 . . . . . . 501 GLU N . 19204 1 560 . 1 1 57 57 TYR H H 1 8.701 0.002 . . . . . . 502 TYR H . 19204 1 561 . 1 1 57 57 TYR HA H 1 4.205 0.006 . . . . . . 502 TYR HA . 19204 1 562 . 1 1 57 57 TYR HB2 H 1 3.042 0.004 . . . . . . 502 TYR HB2 . 19204 1 563 . 1 1 57 57 TYR HB3 H 1 2.944 0.004 . . . . . . 502 TYR HB3 . 19204 1 564 . 1 1 57 57 TYR HD1 H 1 6.935 0.002 . . . . . . 502 TYR HD1 . 19204 1 565 . 1 1 57 57 TYR CA C 13 59.516 0.012 . . . . . . 502 TYR CA . 19204 1 566 . 1 1 57 57 TYR CB C 13 39.138 0.046 . . . . . . 502 TYR CB . 19204 1 567 . 1 1 57 57 TYR N N 15 125.412 0.020 . . . . . . 502 TYR N . 19204 1 568 . 1 1 58 58 LEU H H 1 9.869 0.009 . . . . . . 503 LEU H . 19204 1 569 . 1 1 58 58 LEU HA H 1 4.746 0.002 . . . . . . 503 LEU HA . 19204 1 570 . 1 1 58 58 LEU HB2 H 1 1.960 0.006 . . . . . . 503 LEU HB2 . 19204 1 571 . 1 1 58 58 LEU HB3 H 1 1.689 0.008 . . . . . . 503 LEU HB3 . 19204 1 572 . 1 1 58 58 LEU HG H 1 1.383 0.007 . . . . . . 503 LEU HG . 19204 1 573 . 1 1 58 58 LEU HD11 H 1 1.086 0.005 . . . . . . 503 LEU HD1 . 19204 1 574 . 1 1 58 58 LEU HD12 H 1 1.086 0.005 . . . . . . 503 LEU HD1 . 19204 1 575 . 1 1 58 58 LEU HD13 H 1 1.086 0.005 . . . . . . 503 LEU HD1 . 19204 1 576 . 1 1 58 58 LEU HD21 H 1 0.999 0.006 . . . . . . 503 LEU HD2 . 19204 1 577 . 1 1 58 58 LEU HD22 H 1 0.999 0.006 . . . . . . 503 LEU HD2 . 19204 1 578 . 1 1 58 58 LEU HD23 H 1 0.999 0.006 . . . . . . 503 LEU HD2 . 19204 1 579 . 1 1 58 58 LEU CA C 13 54.445 0.023 . . . . . . 503 LEU CA . 19204 1 580 . 1 1 58 58 LEU CB C 13 42.732 0.028 . . . . . . 503 LEU CB . 19204 1 581 . 1 1 58 58 LEU CG C 13 27.733 0.043 . . . . . . 503 LEU CG . 19204 1 582 . 1 1 58 58 LEU CD1 C 13 24.234 0.014 . . . . . . 503 LEU CD1 . 19204 1 583 . 1 1 58 58 LEU CD2 C 13 27.993 0.010 . . . . . . 503 LEU CD2 . 19204 1 584 . 1 1 58 58 LEU N N 15 133.358 0.049 . . . . . . 503 LEU N . 19204 1 585 . 1 1 59 59 THR H H 1 8.599 0.002 . . . . . . 504 THR H . 19204 1 586 . 1 1 59 59 THR HA H 1 4.695 0.003 . . . . . . 504 THR HA . 19204 1 587 . 1 1 59 59 THR HB H 1 4.819 0.004 . . . . . . 504 THR HB . 19204 1 588 . 1 1 59 59 THR HG21 H 1 1.649 0.004 . . . . . . 504 THR HG2 . 19204 1 589 . 1 1 59 59 THR HG22 H 1 1.649 0.004 . . . . . . 504 THR HG2 . 19204 1 590 . 1 1 59 59 THR HG23 H 1 1.649 0.004 . . . . . . 504 THR HG2 . 19204 1 591 . 1 1 59 59 THR CA C 13 60.781 0.111 . . . . . . 504 THR CA . 19204 1 592 . 1 1 59 59 THR CB C 13 71.568 0.023 . . . . . . 504 THR CB . 19204 1 593 . 1 1 59 59 THR CG2 C 13 22.600 0.023 . . . . . . 504 THR CG2 . 19204 1 594 . 1 1 59 59 THR N N 15 120.909 0.039 . . . . . . 504 THR N . 19204 1 595 . 1 1 60 60 SER H H 1 9.001 0.003 . . . . . . 505 SER H . 19204 1 596 . 1 1 60 60 SER HA H 1 3.704 0.004 . . . . . . 505 SER HA . 19204 1 597 . 1 1 60 60 SER HB2 H 1 3.447 0.002 . . . . . . 505 SER HB . 19204 1 598 . 1 1 60 60 SER HB3 H 1 3.447 0.002 . . . . . . 505 SER HB . 19204 1 599 . 1 1 60 60 SER CA C 13 61.749 0.022 . . . . . . 505 SER CA . 19204 1 600 . 1 1 60 60 SER CB C 13 61.693 0.003 . . . . . . 505 SER CB . 19204 1 601 . 1 1 60 60 SER N N 15 117.703 0.010 . . . . . . 505 SER N . 19204 1 602 . 1 1 61 61 THR H H 1 7.449 0.003 . . . . . . 506 THR H . 19204 1 603 . 1 1 61 61 THR HA H 1 3.857 0.004 . . . . . . 506 THR HA . 19204 1 604 . 1 1 61 61 THR HB H 1 4.171 0.004 . . . . . . 506 THR HB . 19204 1 605 . 1 1 61 61 THR HG21 H 1 1.270 0.004 . . . . . . 506 THR HG2 . 19204 1 606 . 1 1 61 61 THR HG22 H 1 1.270 0.004 . . . . . . 506 THR HG2 . 19204 1 607 . 1 1 61 61 THR HG23 H 1 1.270 0.004 . . . . . . 506 THR HG2 . 19204 1 608 . 1 1 61 61 THR CA C 13 66.312 0.019 . . . . . . 506 THR CA . 19204 1 609 . 1 1 61 61 THR CB C 13 68.966 0.010 . . . . . . 506 THR CB . 19204 1 610 . 1 1 61 61 THR CG2 C 13 22.150 0.000 . . . . . . 506 THR CG2 . 19204 1 611 . 1 1 61 61 THR N N 15 117.508 0.012 . . . . . . 506 THR N . 19204 1 612 . 1 1 62 62 ALA H H 1 8.122 0.005 . . . . . . 507 ALA H . 19204 1 613 . 1 1 62 62 ALA HA H 1 4.141 0.005 . . . . . . 507 ALA HA . 19204 1 614 . 1 1 62 62 ALA HB1 H 1 1.623 0.006 . . . . . . 507 ALA HB . 19204 1 615 . 1 1 62 62 ALA HB2 H 1 1.623 0.006 . . . . . . 507 ALA HB . 19204 1 616 . 1 1 62 62 ALA HB3 H 1 1.623 0.006 . . . . . . 507 ALA HB . 19204 1 617 . 1 1 62 62 ALA CA C 13 55.562 0.039 . . . . . . 507 ALA CA . 19204 1 618 . 1 1 62 62 ALA CB C 13 18.527 0.050 . . . . . . 507 ALA CB . 19204 1 619 . 1 1 62 62 ALA N N 15 125.113 0.025 . . . . . . 507 ALA N . 19204 1 620 . 1 1 63 63 CYS H H 1 7.343 0.003 . . . . . . 508 CYS H . 19204 1 621 . 1 1 63 63 CYS HA H 1 4.388 0.003 . . . . . . 508 CYS HA . 19204 1 622 . 1 1 63 63 CYS HB2 H 1 3.242 0.003 . . . . . . 508 CYS HB2 . 19204 1 623 . 1 1 63 63 CYS HB3 H 1 2.703 0.003 . . . . . . 508 CYS HB3 . 19204 1 624 . 1 1 63 63 CYS CA C 13 63.194 0.012 . . . . . . 508 CYS CA . 19204 1 625 . 1 1 63 63 CYS CB C 13 27.359 0.037 . . . . . . 508 CYS CB . 19204 1 626 . 1 1 63 63 CYS N N 15 114.390 0.043 . . . . . . 508 CYS N . 19204 1 627 . 1 1 64 64 ARG H H 1 7.907 0.004 . . . . . . 509 ARG H . 19204 1 628 . 1 1 64 64 ARG HA H 1 4.088 0.005 . . . . . . 509 ARG HA . 19204 1 629 . 1 1 64 64 ARG HB2 H 1 2.057 0.005 . . . . . . 509 ARG HB2 . 19204 1 630 . 1 1 64 64 ARG HB3 H 1 1.988 0.008 . . . . . . 509 ARG HB3 . 19204 1 631 . 1 1 64 64 ARG HG2 H 1 1.892 0.007 . . . . . . 509 ARG HG2 . 19204 1 632 . 1 1 64 64 ARG HG3 H 1 1.750 0.007 . . . . . . 509 ARG HG3 . 19204 1 633 . 1 1 64 64 ARG HD2 H 1 3.293 0.005 . . . . . . 509 ARG HD2 . 19204 1 634 . 1 1 64 64 ARG HD3 H 1 3.182 0.004 . . . . . . 509 ARG HD3 . 19204 1 635 . 1 1 64 64 ARG CA C 13 58.724 0.023 . . . . . . 509 ARG CA . 19204 1 636 . 1 1 64 64 ARG CB C 13 30.360 0.007 . . . . . . 509 ARG CB . 19204 1 637 . 1 1 64 64 ARG CG C 13 27.630 0.001 . . . . . . 509 ARG CG . 19204 1 638 . 1 1 64 64 ARG CD C 13 44.273 0.025 . . . . . . 509 ARG CD . 19204 1 639 . 1 1 64 64 ARG N N 15 118.437 0.046 . . . . . . 509 ARG N . 19204 1 640 . 1 1 65 65 ARG H H 1 7.504 0.009 . . . . . . 510 ARG H . 19204 1 641 . 1 1 65 65 ARG HA H 1 4.158 0.008 . . . . . . 510 ARG HA . 19204 1 642 . 1 1 65 65 ARG HB2 H 1 1.923 0.003 . . . . . . 510 ARG HB . 19204 1 643 . 1 1 65 65 ARG HB3 H 1 1.923 0.003 . . . . . . 510 ARG HB . 19204 1 644 . 1 1 65 65 ARG HG2 H 1 1.805 0.007 . . . . . . 510 ARG HG2 . 19204 1 645 . 1 1 65 65 ARG HG3 H 1 1.687 0.006 . . . . . . 510 ARG HG3 . 19204 1 646 . 1 1 65 65 ARG HD2 H 1 3.247 0.006 . . . . . . 510 ARG HD . 19204 1 647 . 1 1 65 65 ARG HD3 H 1 3.247 0.006 . . . . . . 510 ARG HD . 19204 1 648 . 1 1 65 65 ARG CA C 13 58.511 0.012 . . . . . . 510 ARG CA . 19204 1 649 . 1 1 65 65 ARG CB C 13 30.506 0.016 . . . . . . 510 ARG CB . 19204 1 650 . 1 1 65 65 ARG CG C 13 27.750 0.004 . . . . . . 510 ARG CG . 19204 1 651 . 1 1 65 65 ARG CD C 13 43.640 0.001 . . . . . . 510 ARG CD . 19204 1 652 . 1 1 65 65 ARG N N 15 116.550 0.054 . . . . . . 510 ARG N . 19204 1 653 . 1 1 66 66 ASN H H 1 7.245 0.005 . . . . . . 511 ASN H . 19204 1 654 . 1 1 66 66 ASN HA H 1 4.747 0.008 . . . . . . 511 ASN HA . 19204 1 655 . 1 1 66 66 ASN HB2 H 1 2.566 0.007 . . . . . . 511 ASN HB2 . 19204 1 656 . 1 1 66 66 ASN HB3 H 1 2.331 0.004 . . . . . . 511 ASN HB3 . 19204 1 657 . 1 1 66 66 ASN CA C 13 54.549 0.017 . . . . . . 511 ASN CA . 19204 1 658 . 1 1 66 66 ASN CB C 13 42.222 0.027 . . . . . . 511 ASN CB . 19204 1 659 . 1 1 66 66 ASN N N 15 114.220 0.030 . . . . . . 511 ASN N . 19204 1 660 . 1 1 67 67 LEU H H 1 7.485 0.001 . . . . . . 512 LEU H . 19204 1 661 . 1 1 67 67 LEU HA H 1 4.521 0.006 . . . . . . 512 LEU HA . 19204 1 662 . 1 1 67 67 LEU HB2 H 1 1.481 0.005 . . . . . . 512 LEU HB2 . 19204 1 663 . 1 1 67 67 LEU HB3 H 1 0.910 0.008 . . . . . . 512 LEU HB3 . 19204 1 664 . 1 1 67 67 LEU HG H 1 1.215 0.007 . . . . . . 512 LEU HG . 19204 1 665 . 1 1 67 67 LEU HD11 H 1 0.669 0.005 . . . . . . 512 LEU HD1 . 19204 1 666 . 1 1 67 67 LEU HD12 H 1 0.669 0.005 . . . . . . 512 LEU HD1 . 19204 1 667 . 1 1 67 67 LEU HD13 H 1 0.669 0.005 . . . . . . 512 LEU HD1 . 19204 1 668 . 1 1 67 67 LEU HD21 H 1 0.567 0.006 . . . . . . 512 LEU HD2 . 19204 1 669 . 1 1 67 67 LEU HD22 H 1 0.567 0.006 . . . . . . 512 LEU HD2 . 19204 1 670 . 1 1 67 67 LEU HD23 H 1 0.567 0.006 . . . . . . 512 LEU HD2 . 19204 1 671 . 1 1 67 67 LEU CA C 13 53.954 0.020 . . . . . . 512 LEU CA . 19204 1 672 . 1 1 67 67 LEU CB C 13 42.704 0.031 . . . . . . 512 LEU CB . 19204 1 673 . 1 1 67 67 LEU CG C 13 26.400 0.000 . . . . . . 512 LEU CG . 19204 1 674 . 1 1 67 67 LEU CD1 C 13 26.497 0.012 . . . . . . 512 LEU CD1 . 19204 1 675 . 1 1 67 67 LEU CD2 C 13 22.063 0.018 . . . . . . 512 LEU CD2 . 19204 1 676 . 1 1 67 67 LEU N N 15 120.117 0.031 . . . . . . 512 LEU N . 19204 1 677 . 1 1 68 68 THR H H 1 7.975 0.002 . . . . . . 513 THR H . 19204 1 678 . 1 1 68 68 THR HA H 1 4.434 0.005 . . . . . . 513 THR HA . 19204 1 679 . 1 1 68 68 THR HB H 1 4.395 0.005 . . . . . . 513 THR HB . 19204 1 680 . 1 1 68 68 THR HG21 H 1 1.222 0.006 . . . . . . 513 THR HG2 . 19204 1 681 . 1 1 68 68 THR HG22 H 1 1.222 0.006 . . . . . . 513 THR HG2 . 19204 1 682 . 1 1 68 68 THR HG23 H 1 1.222 0.006 . . . . . . 513 THR HG2 . 19204 1 683 . 1 1 68 68 THR CA C 13 61.800 0.050 . . . . . . 513 THR CA . 19204 1 684 . 1 1 68 68 THR CB C 13 70.028 0.027 . . . . . . 513 THR CB . 19204 1 685 . 1 1 68 68 THR CG2 C 13 21.780 0.000 . . . . . . 513 THR CG2 . 19204 1 686 . 1 1 68 68 THR N N 15 112.812 0.042 . . . . . . 513 THR N . 19204 1 687 . 1 1 69 69 GLY H H 1 8.081 0.002 . . . . . . 514 GLY H . 19204 1 688 . 1 1 69 69 GLY HA2 H 1 4.214 0.001 . . . . . . 514 GLY HA2 . 19204 1 689 . 1 1 69 69 GLY HA3 H 1 4.064 0.004 . . . . . . 514 GLY HA3 . 19204 1 690 . 1 1 69 69 GLY CA C 13 45.077 0.007 . . . . . . 514 GLY CA . 19204 1 691 . 1 1 69 69 GLY N N 15 110.006 0.016 . . . . . . 514 GLY N . 19204 1 692 . 1 1 70 70 ASP H H 1 8.322 0.002 . . . . . . 515 ASP H . 19204 1 693 . 1 1 70 70 ASP HA H 1 4.629 0.003 . . . . . . 515 ASP HA . 19204 1 694 . 1 1 70 70 ASP HB2 H 1 2.927 0.003 . . . . . . 515 ASP HB2 . 19204 1 695 . 1 1 70 70 ASP HB3 H 1 2.780 0.005 . . . . . . 515 ASP HB3 . 19204 1 696 . 1 1 70 70 ASP CA C 13 54.402 0.022 . . . . . . 515 ASP CA . 19204 1 697 . 1 1 70 70 ASP CB C 13 41.839 0.007 . . . . . . 515 ASP CB . 19204 1 698 . 1 1 70 70 ASP N N 15 120.997 0.093 . . . . . . 515 ASP N . 19204 1 699 . 1 1 71 71 VAL H H 1 8.543 0.001 . . . . . . 516 VAL H . 19204 1 700 . 1 1 71 71 VAL HA H 1 3.730 0.007 . . . . . . 516 VAL HA . 19204 1 701 . 1 1 71 71 VAL HB H 1 2.185 0.007 . . . . . . 516 VAL HB . 19204 1 702 . 1 1 71 71 VAL HG11 H 1 1.137 0.006 . . . . . . 516 VAL HG1 . 19204 1 703 . 1 1 71 71 VAL HG12 H 1 1.137 0.006 . . . . . . 516 VAL HG1 . 19204 1 704 . 1 1 71 71 VAL HG13 H 1 1.137 0.006 . . . . . . 516 VAL HG1 . 19204 1 705 . 1 1 71 71 VAL HG21 H 1 1.114 0.004 . . . . . . 516 VAL HG2 . 19204 1 706 . 1 1 71 71 VAL HG22 H 1 1.114 0.004 . . . . . . 516 VAL HG2 . 19204 1 707 . 1 1 71 71 VAL HG23 H 1 1.114 0.004 . . . . . . 516 VAL HG2 . 19204 1 708 . 1 1 71 71 VAL CA C 13 66.149 0.043 . . . . . . 516 VAL CA . 19204 1 709 . 1 1 71 71 VAL CB C 13 31.999 0.023 . . . . . . 516 VAL CB . 19204 1 710 . 1 1 71 71 VAL CG1 C 13 21.927 0.028 . . . . . . 516 VAL CG1 . 19204 1 711 . 1 1 71 71 VAL CG2 C 13 21.325 0.010 . . . . . . 516 VAL CG2 . 19204 1 712 . 1 1 71 71 VAL N N 15 125.961 0.050 . . . . . . 516 VAL N . 19204 1 713 . 1 1 72 72 CYS H H 1 8.176 0.002 . . . . . . 517 CYS H . 19204 1 714 . 1 1 72 72 CYS HA H 1 4.239 0.003 . . . . . . 517 CYS HA . 19204 1 715 . 1 1 72 72 CYS HB2 H 1 3.106 0.006 . . . . . . 517 CYS HB . 19204 1 716 . 1 1 72 72 CYS HB3 H 1 3.106 0.006 . . . . . . 517 CYS HB . 19204 1 717 . 1 1 72 72 CYS CA C 13 62.610 0.011 . . . . . . 517 CYS CA . 19204 1 718 . 1 1 72 72 CYS CB C 13 26.741 0.031 . . . . . . 517 CYS CB . 19204 1 719 . 1 1 72 72 CYS N N 15 119.081 0.028 . . . . . . 517 CYS N . 19204 1 720 . 1 1 73 73 ALA H H 1 7.558 0.002 . . . . . . 518 ALA H . 19204 1 721 . 1 1 73 73 ALA HA H 1 4.433 0.011 . . . . . . 518 ALA HA . 19204 1 722 . 1 1 73 73 ALA HB1 H 1 1.753 0.007 . . . . . . 518 ALA HB . 19204 1 723 . 1 1 73 73 ALA HB2 H 1 1.753 0.007 . . . . . . 518 ALA HB . 19204 1 724 . 1 1 73 73 ALA HB3 H 1 1.753 0.007 . . . . . . 518 ALA HB . 19204 1 725 . 1 1 73 73 ALA CA C 13 55.446 0.048 . . . . . . 518 ALA CA . 19204 1 726 . 1 1 73 73 ALA CB C 13 19.367 0.029 . . . . . . 518 ALA CB . 19204 1 727 . 1 1 73 73 ALA N N 15 122.722 0.023 . . . . . . 518 ALA N . 19204 1 728 . 1 1 74 74 VAL H H 1 7.657 0.003 . . . . . . 519 VAL H . 19204 1 729 . 1 1 74 74 VAL HA H 1 3.337 0.005 . . . . . . 519 VAL HA . 19204 1 730 . 1 1 74 74 VAL HB H 1 2.170 0.007 . . . . . . 519 VAL HB . 19204 1 731 . 1 1 74 74 VAL HG11 H 1 0.720 0.006 . . . . . . 519 VAL HG1 . 19204 1 732 . 1 1 74 74 VAL HG12 H 1 0.720 0.006 . . . . . . 519 VAL HG1 . 19204 1 733 . 1 1 74 74 VAL HG13 H 1 0.720 0.006 . . . . . . 519 VAL HG1 . 19204 1 734 . 1 1 74 74 VAL HG21 H 1 0.638 0.005 . . . . . . 519 VAL HG2 . 19204 1 735 . 1 1 74 74 VAL HG22 H 1 0.638 0.005 . . . . . . 519 VAL HG2 . 19204 1 736 . 1 1 74 74 VAL HG23 H 1 0.638 0.005 . . . . . . 519 VAL HG2 . 19204 1 737 . 1 1 74 74 VAL CA C 13 67.660 0.088 . . . . . . 519 VAL CA . 19204 1 738 . 1 1 74 74 VAL CB C 13 31.982 0.014 . . . . . . 519 VAL CB . 19204 1 739 . 1 1 74 74 VAL CG1 C 13 22.092 0.004 . . . . . . 519 VAL CG1 . 19204 1 740 . 1 1 74 74 VAL CG2 C 13 23.035 0.014 . . . . . . 519 VAL CG2 . 19204 1 741 . 1 1 74 74 VAL N N 15 117.302 0.027 . . . . . . 519 VAL N . 19204 1 742 . 1 1 75 75 MET H H 1 8.198 0.002 . . . . . . 520 MET H . 19204 1 743 . 1 1 75 75 MET HA H 1 4.206 0.006 . . . . . . 520 MET HA . 19204 1 744 . 1 1 75 75 MET HB2 H 1 2.898 0.005 . . . . . . 520 MET HB2 . 19204 1 745 . 1 1 75 75 MET HB3 H 1 2.632 0.005 . . . . . . 520 MET HB3 . 19204 1 746 . 1 1 75 75 MET HG2 H 1 2.357 0.006 . . . . . . 520 MET HG . 19204 1 747 . 1 1 75 75 MET HG3 H 1 2.357 0.006 . . . . . . 520 MET HG . 19204 1 748 . 1 1 75 75 MET CA C 13 59.554 0.025 . . . . . . 520 MET CA . 19204 1 749 . 1 1 75 75 MET CB C 13 32.623 0.019 . . . . . . 520 MET CB . 19204 1 750 . 1 1 75 75 MET CG C 13 32.670 0.000 . . . . . . 520 MET CG . 19204 1 751 . 1 1 75 75 MET N N 15 116.604 0.019 . . . . . . 520 MET N . 19204 1 752 . 1 1 76 76 ARG H H 1 8.158 0.003 . . . . . . 521 ARG H . 19204 1 753 . 1 1 76 76 ARG HA H 1 4.329 0.004 . . . . . . 521 ARG HA . 19204 1 754 . 1 1 76 76 ARG HB2 H 1 2.345 0.004 . . . . . . 521 ARG HB2 . 19204 1 755 . 1 1 76 76 ARG HB3 H 1 2.083 0.006 . . . . . . 521 ARG HB3 . 19204 1 756 . 1 1 76 76 ARG HG2 H 1 2.051 0.005 . . . . . . 521 ARG HG2 . 19204 1 757 . 1 1 76 76 ARG HG3 H 1 1.927 0.006 . . . . . . 521 ARG HG3 . 19204 1 758 . 1 1 76 76 ARG HD2 H 1 3.374 0.004 . . . . . . 521 ARG HD . 19204 1 759 . 1 1 76 76 ARG HD3 H 1 3.374 0.004 . . . . . . 521 ARG HD . 19204 1 760 . 1 1 76 76 ARG CA C 13 60.434 0.035 . . . . . . 521 ARG CA . 19204 1 761 . 1 1 76 76 ARG CB C 13 30.718 0.062 . . . . . . 521 ARG CB . 19204 1 762 . 1 1 76 76 ARG CG C 13 29.158 0.010 . . . . . . 521 ARG CG . 19204 1 763 . 1 1 76 76 ARG N N 15 120.202 0.004 . . . . . . 521 ARG N . 19204 1 764 . 1 1 77 77 VAL H H 1 8.219 0.003 . . . . . . 522 VAL H . 19204 1 765 . 1 1 77 77 VAL HA H 1 4.017 0.003 . . . . . . 522 VAL HA . 19204 1 766 . 1 1 77 77 VAL HB H 1 2.436 0.004 . . . . . . 522 VAL HB . 19204 1 767 . 1 1 77 77 VAL HG11 H 1 1.546 0.010 . . . . . . 522 VAL HG1 . 19204 1 768 . 1 1 77 77 VAL HG12 H 1 1.546 0.010 . . . . . . 522 VAL HG1 . 19204 1 769 . 1 1 77 77 VAL HG13 H 1 1.546 0.010 . . . . . . 522 VAL HG1 . 19204 1 770 . 1 1 77 77 VAL HG21 H 1 1.211 0.006 . . . . . . 522 VAL HG2 . 19204 1 771 . 1 1 77 77 VAL HG22 H 1 1.211 0.006 . . . . . . 522 VAL HG2 . 19204 1 772 . 1 1 77 77 VAL HG23 H 1 1.211 0.006 . . . . . . 522 VAL HG2 . 19204 1 773 . 1 1 77 77 VAL CA C 13 68.050 0.087 . . . . . . 522 VAL CA . 19204 1 774 . 1 1 77 77 VAL CB C 13 32.446 0.020 . . . . . . 522 VAL CB . 19204 1 775 . 1 1 77 77 VAL CG1 C 13 24.853 0.036 . . . . . . 522 VAL CG1 . 19204 1 776 . 1 1 77 77 VAL CG2 C 13 21.650 0.000 . . . . . . 522 VAL CG2 . 19204 1 777 . 1 1 77 77 VAL N N 15 121.027 0.044 . . . . . . 522 VAL N . 19204 1 778 . 1 1 78 78 HIS H H 1 8.226 0.002 . . . . . . 523 HIS H . 19204 1 779 . 1 1 78 78 HIS HA H 1 4.119 0.003 . . . . . . 523 HIS HA . 19204 1 780 . 1 1 78 78 HIS HB2 H 1 3.290 0.012 . . . . . . 523 HIS HB2 . 19204 1 781 . 1 1 78 78 HIS HB3 H 1 3.203 0.006 . . . . . . 523 HIS HB3 . 19204 1 782 . 1 1 78 78 HIS CA C 13 62.708 0.013 . . . . . . 523 HIS CA . 19204 1 783 . 1 1 78 78 HIS CB C 13 31.774 0.025 . . . . . . 523 HIS CB . 19204 1 784 . 1 1 78 78 HIS N N 15 119.694 0.106 . . . . . . 523 HIS N . 19204 1 785 . 1 1 79 79 ALA H H 1 8.362 0.002 . . . . . . 524 ALA H . 19204 1 786 . 1 1 79 79 ALA HA H 1 4.304 0.008 . . . . . . 524 ALA HA . 19204 1 787 . 1 1 79 79 ALA HB1 H 1 1.783 0.006 . . . . . . 524 ALA HB . 19204 1 788 . 1 1 79 79 ALA HB2 H 1 1.783 0.006 . . . . . . 524 ALA HB . 19204 1 789 . 1 1 79 79 ALA HB3 H 1 1.783 0.006 . . . . . . 524 ALA HB . 19204 1 790 . 1 1 79 79 ALA CA C 13 55.595 0.061 . . . . . . 524 ALA CA . 19204 1 791 . 1 1 79 79 ALA CB C 13 18.723 0.052 . . . . . . 524 ALA CB . 19204 1 792 . 1 1 79 79 ALA N N 15 118.656 0.061 . . . . . . 524 ALA N . 19204 1 793 . 1 1 80 80 PHE H H 1 7.987 0.003 . . . . . . 525 PHE H . 19204 1 794 . 1 1 80 80 PHE HA H 1 4.549 0.002 . . . . . . 525 PHE HA . 19204 1 795 . 1 1 80 80 PHE HB2 H 1 3.582 0.002 . . . . . . 525 PHE HB . 19204 1 796 . 1 1 80 80 PHE HB3 H 1 3.582 0.002 . . . . . . 525 PHE HB . 19204 1 797 . 1 1 80 80 PHE HD1 H 1 7.496 0.002 . . . . . . 525 PHE HD1 . 19204 1 798 . 1 1 80 80 PHE CA C 13 61.922 0.038 . . . . . . 525 PHE CA . 19204 1 799 . 1 1 80 80 PHE CB C 13 40.000 0.016 . . . . . . 525 PHE CB . 19204 1 800 . 1 1 80 80 PHE N N 15 120.648 0.042 . . . . . . 525 PHE N . 19204 1 801 . 1 1 81 81 LEU H H 1 8.470 0.002 . . . . . . 526 LEU H . 19204 1 802 . 1 1 81 81 LEU HA H 1 3.995 0.007 . . . . . . 526 LEU HA . 19204 1 803 . 1 1 81 81 LEU HB2 H 1 2.007 0.007 . . . . . . 526 LEU HB2 . 19204 1 804 . 1 1 81 81 LEU HB3 H 1 1.165 0.004 . . . . . . 526 LEU HB3 . 19204 1 805 . 1 1 81 81 LEU HG H 1 2.476 0.005 . . . . . . 526 LEU HG . 19204 1 806 . 1 1 81 81 LEU HD11 H 1 1.109 0.007 . . . . . . 526 LEU HD1 . 19204 1 807 . 1 1 81 81 LEU HD12 H 1 1.109 0.007 . . . . . . 526 LEU HD1 . 19204 1 808 . 1 1 81 81 LEU HD13 H 1 1.109 0.007 . . . . . . 526 LEU HD1 . 19204 1 809 . 1 1 81 81 LEU HD21 H 1 0.997 0.007 . . . . . . 526 LEU HD2 . 19204 1 810 . 1 1 81 81 LEU HD22 H 1 0.997 0.007 . . . . . . 526 LEU HD2 . 19204 1 811 . 1 1 81 81 LEU HD23 H 1 0.997 0.007 . . . . . . 526 LEU HD2 . 19204 1 812 . 1 1 81 81 LEU CA C 13 57.924 0.042 . . . . . . 526 LEU CA . 19204 1 813 . 1 1 81 81 LEU CB C 13 42.259 0.024 . . . . . . 526 LEU CB . 19204 1 814 . 1 1 81 81 LEU CG C 13 26.753 0.021 . . . . . . 526 LEU CG . 19204 1 815 . 1 1 81 81 LEU CD1 C 13 28.570 0.001 . . . . . . 526 LEU CD1 . 19204 1 816 . 1 1 81 81 LEU CD2 C 13 23.048 0.007 . . . . . . 526 LEU CD2 . 19204 1 817 . 1 1 81 81 LEU N N 15 118.270 0.037 . . . . . . 526 LEU N . 19204 1 818 . 1 1 82 82 GLU H H 1 8.589 0.002 . . . . . . 527 GLU H . 19204 1 819 . 1 1 82 82 GLU HA H 1 4.074 0.007 . . . . . . 527 GLU HA . 19204 1 820 . 1 1 82 82 GLU HB2 H 1 2.052 0.003 . . . . . . 527 GLU HB2 . 19204 1 821 . 1 1 82 82 GLU HB3 H 1 1.893 0.005 . . . . . . 527 GLU HB3 . 19204 1 822 . 1 1 82 82 GLU HG2 H 1 2.194 0.003 . . . . . . 527 GLU HG . 19204 1 823 . 1 1 82 82 GLU HG3 H 1 2.194 0.003 . . . . . . 527 GLU HG . 19204 1 824 . 1 1 82 82 GLU CA C 13 60.427 0.024 . . . . . . 527 GLU CA . 19204 1 825 . 1 1 82 82 GLU CB C 13 30.102 0.017 . . . . . . 527 GLU CB . 19204 1 826 . 1 1 82 82 GLU N N 15 119.962 0.058 . . . . . . 527 GLU N . 19204 1 827 . 1 1 83 83 GLN H H 1 8.281 0.002 . . . . . . 528 GLN H . 19204 1 828 . 1 1 83 83 GLN HA H 1 4.052 0.005 . . . . . . 528 GLN HA . 19204 1 829 . 1 1 83 83 GLN HB2 H 1 2.291 0.004 . . . . . . 528 GLN HB2 . 19204 1 830 . 1 1 83 83 GLN HB3 H 1 2.228 0.006 . . . . . . 528 GLN HB3 . 19204 1 831 . 1 1 83 83 GLN HG2 H 1 2.155 0.004 . . . . . . 528 GLN HG2 . 19204 1 832 . 1 1 83 83 GLN HG3 H 1 1.980 0.004 . . . . . . 528 GLN HG3 . 19204 1 833 . 1 1 83 83 GLN CA C 13 59.209 0.050 . . . . . . 528 GLN CA . 19204 1 834 . 1 1 83 83 GLN CB C 13 28.171 0.021 . . . . . . 528 GLN CB . 19204 1 835 . 1 1 83 83 GLN CG C 13 33.530 0.000 . . . . . . 528 GLN CG . 19204 1 836 . 1 1 83 83 GLN N N 15 122.410 0.016 . . . . . . 528 GLN N . 19204 1 837 . 1 1 84 84 TRP H H 1 7.316 0.004 . . . . . . 529 TRP H . 19204 1 838 . 1 1 84 84 TRP HA H 1 4.472 0.006 . . . . . . 529 TRP HA . 19204 1 839 . 1 1 84 84 TRP HB2 H 1 3.623 0.010 . . . . . . 529 TRP HB2 . 19204 1 840 . 1 1 84 84 TRP HB3 H 1 2.607 0.004 . . . . . . 529 TRP HB3 . 19204 1 841 . 1 1 84 84 TRP HD1 H 1 7.672 0.002 . . . . . . 529 TRP HD1 . 19204 1 842 . 1 1 84 84 TRP CA C 13 58.290 0.028 . . . . . . 529 TRP CA . 19204 1 843 . 1 1 84 84 TRP CB C 13 29.986 0.028 . . . . . . 529 TRP CB . 19204 1 844 . 1 1 84 84 TRP N N 15 117.565 0.040 . . . . . . 529 TRP N . 19204 1 845 . 1 1 85 85 GLY H H 1 7.520 0.004 . . . . . . 530 GLY H . 19204 1 846 . 1 1 85 85 GLY HA2 H 1 3.981 0.003 . . . . . . 530 GLY HA2 . 19204 1 847 . 1 1 85 85 GLY HA3 H 1 3.732 0.006 . . . . . . 530 GLY HA3 . 19204 1 848 . 1 1 85 85 GLY CA C 13 46.350 0.048 . . . . . . 530 GLY CA . 19204 1 849 . 1 1 85 85 GLY N N 15 104.401 0.031 . . . . . . 530 GLY N . 19204 1 850 . 1 1 86 86 LEU H H 1 8.103 0.005 . . . . . . 531 LEU H . 19204 1 851 . 1 1 86 86 LEU HA H 1 3.956 0.007 . . . . . . 531 LEU HA . 19204 1 852 . 1 1 86 86 LEU HB2 H 1 1.493 0.007 . . . . . . 531 LEU HB2 . 19204 1 853 . 1 1 86 86 LEU HB3 H 1 0.986 0.006 . . . . . . 531 LEU HB3 . 19204 1 854 . 1 1 86 86 LEU HG H 1 1.181 0.005 . . . . . . 531 LEU HG . 19204 1 855 . 1 1 86 86 LEU HD11 H 1 0.235 0.007 . . . . . . 531 LEU HD1 . 19204 1 856 . 1 1 86 86 LEU HD12 H 1 0.235 0.007 . . . . . . 531 LEU HD1 . 19204 1 857 . 1 1 86 86 LEU HD13 H 1 0.235 0.007 . . . . . . 531 LEU HD1 . 19204 1 858 . 1 1 86 86 LEU HD21 H 1 0.063 0.006 . . . . . . 531 LEU HD2 . 19204 1 859 . 1 1 86 86 LEU HD22 H 1 0.063 0.006 . . . . . . 531 LEU HD2 . 19204 1 860 . 1 1 86 86 LEU HD23 H 1 0.063 0.006 . . . . . . 531 LEU HD2 . 19204 1 861 . 1 1 86 86 LEU CA C 13 55.710 0.045 . . . . . . 531 LEU CA . 19204 1 862 . 1 1 86 86 LEU CB C 13 43.697 0.092 . . . . . . 531 LEU CB . 19204 1 863 . 1 1 86 86 LEU CG C 13 27.198 0.007 . . . . . . 531 LEU CG . 19204 1 864 . 1 1 86 86 LEU CD1 C 13 25.399 0.003 . . . . . . 531 LEU CD1 . 19204 1 865 . 1 1 86 86 LEU CD2 C 13 22.350 0.001 . . . . . . 531 LEU CD2 . 19204 1 866 . 1 1 86 86 LEU N N 15 118.811 0.031 . . . . . . 531 LEU N . 19204 1 867 . 1 1 87 87 VAL H H 1 6.552 0.004 . . . . . . 532 VAL H . 19204 1 868 . 1 1 87 87 VAL HA H 1 3.679 0.006 . . . . . . 532 VAL HA . 19204 1 869 . 1 1 87 87 VAL HB H 1 1.223 0.007 . . . . . . 532 VAL HB . 19204 1 870 . 1 1 87 87 VAL HG11 H 1 0.667 0.009 . . . . . . 532 VAL HG1 . 19204 1 871 . 1 1 87 87 VAL HG12 H 1 0.667 0.009 . . . . . . 532 VAL HG1 . 19204 1 872 . 1 1 87 87 VAL HG13 H 1 0.667 0.009 . . . . . . 532 VAL HG1 . 19204 1 873 . 1 1 87 87 VAL HG21 H 1 0.245 0.006 . . . . . . 532 VAL HG2 . 19204 1 874 . 1 1 87 87 VAL HG22 H 1 0.245 0.006 . . . . . . 532 VAL HG2 . 19204 1 875 . 1 1 87 87 VAL HG23 H 1 0.245 0.006 . . . . . . 532 VAL HG2 . 19204 1 876 . 1 1 87 87 VAL CA C 13 60.465 0.014 . . . . . . 532 VAL CA . 19204 1 877 . 1 1 87 87 VAL CB C 13 35.140 0.030 . . . . . . 532 VAL CB . 19204 1 878 . 1 1 87 87 VAL CG1 C 13 23.080 0.001 . . . . . . 532 VAL CG1 . 19204 1 879 . 1 1 87 87 VAL CG2 C 13 18.550 0.000 . . . . . . 532 VAL CG2 . 19204 1 880 . 1 1 87 87 VAL N N 15 105.311 0.023 . . . . . . 532 VAL N . 19204 1 881 . 1 1 89 89 TYR HA H 1 4.438 0.004 . . . . . . 534 TYR HA . 19204 1 882 . 1 1 89 89 TYR HB2 H 1 3.315 0.004 . . . . . . 534 TYR HB2 . 19204 1 883 . 1 1 89 89 TYR HB3 H 1 2.900 0.006 . . . . . . 534 TYR HB3 . 19204 1 884 . 1 1 89 89 TYR HD1 H 1 7.050 0.005 . . . . . . 534 TYR HD1 . 19204 1 885 . 1 1 89 89 TYR CA C 13 60.540 0.022 . . . . . . 534 TYR CA . 19204 1 886 . 1 1 89 89 TYR CB C 13 40.252 0.011 . . . . . . 534 TYR CB . 19204 1 887 . 1 1 90 90 GLN H H 1 7.885 0.003 . . . . . . 535 GLN H . 19204 1 888 . 1 1 90 90 GLN HA H 1 4.388 0.004 . . . . . . 535 GLN HA . 19204 1 889 . 1 1 90 90 GLN HB2 H 1 2.306 0.005 . . . . . . 535 GLN HB2 . 19204 1 890 . 1 1 90 90 GLN HB3 H 1 2.078 0.005 . . . . . . 535 GLN HB3 . 19204 1 891 . 1 1 90 90 GLN HG2 H 1 2.405 0.006 . . . . . . 535 GLN HG2 . 19204 1 892 . 1 1 90 90 GLN HG3 H 1 2.328 0.003 . . . . . . 535 GLN HG3 . 19204 1 893 . 1 1 90 90 GLN CA C 13 55.340 0.111 . . . . . . 535 GLN CA . 19204 1 894 . 1 1 90 90 GLN CB C 13 29.830 0.011 . . . . . . 535 GLN CB . 19204 1 895 . 1 1 90 90 GLN CG C 13 36.030 0.000 . . . . . . 535 GLN CG . 19204 1 896 . 1 1 90 90 GLN N N 15 114.489 0.031 . . . . . . 535 GLN N . 19204 1 897 . 1 1 91 91 VAL H H 1 6.776 0.002 . . . . . . 536 VAL H . 19204 1 898 . 1 1 91 91 VAL HA H 1 3.970 0.004 . . . . . . 536 VAL HA . 19204 1 899 . 1 1 91 91 VAL HB H 1 2.004 0.013 . . . . . . 536 VAL HB . 19204 1 900 . 1 1 91 91 VAL HG11 H 1 1.026 0.006 . . . . . . 536 VAL HG1 . 19204 1 901 . 1 1 91 91 VAL HG12 H 1 1.026 0.006 . . . . . . 536 VAL HG1 . 19204 1 902 . 1 1 91 91 VAL HG13 H 1 1.026 0.006 . . . . . . 536 VAL HG1 . 19204 1 903 . 1 1 91 91 VAL CA C 13 62.382 0.012 . . . . . . 536 VAL CA . 19204 1 904 . 1 1 91 91 VAL CB C 13 32.856 0.062 . . . . . . 536 VAL CB . 19204 1 905 . 1 1 91 91 VAL CG1 C 13 22.035 0.013 . . . . . . 536 VAL CG1 . 19204 1 906 . 1 1 91 91 VAL N N 15 118.352 0.054 . . . . . . 536 VAL N . 19204 1 907 . 1 1 92 92 ASP H H 1 8.690 0.003 . . . . . . 537 ASP H . 19204 1 908 . 1 1 92 92 ASP HA H 1 4.844 0.006 . . . . . . 537 ASP HA . 19204 1 909 . 1 1 92 92 ASP HB2 H 1 2.851 0.003 . . . . . . 537 ASP HB2 . 19204 1 910 . 1 1 92 92 ASP HB3 H 1 2.699 0.003 . . . . . . 537 ASP HB3 . 19204 1 911 . 1 1 92 92 ASP CA C 13 52.929 0.040 . . . . . . 537 ASP CA . 19204 1 912 . 1 1 92 92 ASP CB C 13 41.424 0.028 . . . . . . 537 ASP CB . 19204 1 913 . 1 1 92 92 ASP N N 15 127.998 0.026 . . . . . . 537 ASP N . 19204 1 914 . 1 1 93 93 PRO HA H 1 4.167 0.005 . . . . . . 538 PRO HA . 19204 1 915 . 1 1 93 93 PRO HB2 H 1 2.314 0.005 . . . . . . 538 PRO HB2 . 19204 1 916 . 1 1 93 93 PRO HB3 H 1 1.999 0.004 . . . . . . 538 PRO HB3 . 19204 1 917 . 1 1 93 93 PRO HG2 H 1 2.121 0.005 . . . . . . 538 PRO HG2 . 19204 1 918 . 1 1 93 93 PRO HG3 H 1 2.032 0.003 . . . . . . 538 PRO HG3 . 19204 1 919 . 1 1 93 93 PRO HD2 H 1 3.945 0.005 . . . . . . 538 PRO HD2 . 19204 1 920 . 1 1 93 93 PRO HD3 H 1 3.884 0.006 . . . . . . 538 PRO HD3 . 19204 1 921 . 1 1 93 93 PRO CA C 13 65.036 0.080 . . . . . . 538 PRO CA . 19204 1 922 . 1 1 93 93 PRO CB C 13 32.342 0.010 . . . . . . 538 PRO CB . 19204 1 923 . 1 1 93 93 PRO CG C 13 27.654 0.029 . . . . . . 538 PRO CG . 19204 1 924 . 1 1 93 93 PRO CD C 13 51.051 0.003 . . . . . . 538 PRO CD . 19204 1 925 . 1 1 94 94 GLU H H 1 8.505 0.002 . . . . . . 539 GLU H . 19204 1 926 . 1 1 94 94 GLU HA H 1 4.273 0.004 . . . . . . 539 GLU HA . 19204 1 927 . 1 1 94 94 GLU HB2 H 1 2.169 0.006 . . . . . . 539 GLU HB2 . 19204 1 928 . 1 1 94 94 GLU HB3 H 1 2.040 0.005 . . . . . . 539 GLU HB3 . 19204 1 929 . 1 1 94 94 GLU HG2 H 1 2.377 0.007 . . . . . . 539 GLU HG2 . 19204 1 930 . 1 1 94 94 GLU HG3 H 1 2.325 0.004 . . . . . . 539 GLU HG3 . 19204 1 931 . 1 1 94 94 GLU CA C 13 57.644 0.012 . . . . . . 539 GLU CA . 19204 1 932 . 1 1 94 94 GLU CB C 13 29.600 0.009 . . . . . . 539 GLU CB . 19204 1 933 . 1 1 94 94 GLU N N 15 116.805 0.018 . . . . . . 539 GLU N . 19204 1 934 . 1 1 95 95 SER H H 1 8.007 0.002 . . . . . . 540 SER H . 19204 1 935 . 1 1 95 95 SER HA H 1 4.547 0.004 . . . . . . 540 SER HA . 19204 1 936 . 1 1 95 95 SER HB2 H 1 4.070 0.004 . . . . . . 540 SER HB2 . 19204 1 937 . 1 1 95 95 SER HB3 H 1 3.988 0.005 . . . . . . 540 SER HB3 . 19204 1 938 . 1 1 95 95 SER CA C 13 58.648 0.044 . . . . . . 540 SER CA . 19204 1 939 . 1 1 95 95 SER CB C 13 64.201 0.015 . . . . . . 540 SER CB . 19204 1 940 . 1 1 95 95 SER N N 15 115.236 0.041 . . . . . . 540 SER N . 19204 1 941 . 1 1 96 96 ARG H H 1 7.539 0.004 . . . . . . 541 ARG H . 19204 1 942 . 1 1 96 96 ARG HA H 1 4.400 0.005 . . . . . . 541 ARG HA . 19204 1 943 . 1 1 96 96 ARG HB2 H 1 1.793 0.004 . . . . . . 541 ARG HB2 . 19204 1 944 . 1 1 96 96 ARG HB3 H 1 1.717 0.004 . . . . . . 541 ARG HB3 . 19204 1 945 . 1 1 96 96 ARG HG2 H 1 1.687 0.006 . . . . . . 541 ARG HG2 . 19204 1 946 . 1 1 96 96 ARG HG3 H 1 1.554 0.006 . . . . . . 541 ARG HG3 . 19204 1 947 . 1 1 96 96 ARG HD2 H 1 3.212 0.005 . . . . . . 541 ARG HD . 19204 1 948 . 1 1 96 96 ARG HD3 H 1 3.212 0.005 . . . . . . 541 ARG HD . 19204 1 949 . 1 1 96 96 ARG CA C 13 54.202 0.014 . . . . . . 541 ARG CA . 19204 1 950 . 1 1 96 96 ARG CB C 13 30.428 0.016 . . . . . . 541 ARG CB . 19204 1 951 . 1 1 96 96 ARG CG C 13 27.623 0.004 . . . . . . 541 ARG CG . 19204 1 952 . 1 1 96 96 ARG CD C 13 43.623 0.002 . . . . . . 541 ARG CD . 19204 1 953 . 1 1 96 96 ARG N N 15 122.726 0.029 . . . . . . 541 ARG N . 19204 1 954 . 1 1 97 97 PRO HA H 1 4.431 0.005 . . . . . . 542 PRO HA . 19204 1 955 . 1 1 97 97 PRO HB2 H 1 2.264 0.003 . . . . . . 542 PRO HB2 . 19204 1 956 . 1 1 97 97 PRO HB3 H 1 1.963 0.004 . . . . . . 542 PRO HB3 . 19204 1 957 . 1 1 97 97 PRO HG2 H 1 1.945 0.006 . . . . . . 542 PRO HG . 19204 1 958 . 1 1 97 97 PRO HG3 H 1 1.945 0.006 . . . . . . 542 PRO HG . 19204 1 959 . 1 1 97 97 PRO HD2 H 1 3.471 0.007 . . . . . . 542 PRO HD2 . 19204 1 960 . 1 1 97 97 PRO HD3 H 1 3.223 0.004 . . . . . . 542 PRO HD3 . 19204 1 961 . 1 1 97 97 PRO CA C 13 63.563 0.021 . . . . . . 542 PRO CA . 19204 1 962 . 1 1 97 97 PRO CB C 13 31.970 0.008 . . . . . . 542 PRO CB . 19204 1 963 . 1 1 97 97 PRO CG C 13 27.621 0.001 . . . . . . 542 PRO CG . 19204 1 964 . 1 1 97 97 PRO CD C 13 50.441 0.001 . . . . . . 542 PRO CD . 19204 1 965 . 1 1 98 98 MET H H 1 7.891 0.002 . . . . . . 543 MET H . 19204 1 966 . 1 1 98 98 MET HA H 1 4.309 0.004 . . . . . . 543 MET HA . 19204 1 967 . 1 1 98 98 MET HB2 H 1 2.134 0.007 . . . . . . 543 MET HB2 . 19204 1 968 . 1 1 98 98 MET HB3 H 1 1.994 0.005 . . . . . . 543 MET HB3 . 19204 1 969 . 1 1 98 98 MET HG2 H 1 2.627 0.002 . . . . . . 543 MET HG2 . 19204 1 970 . 1 1 98 98 MET HG3 H 1 2.574 0.003 . . . . . . 543 MET HG3 . 19204 1 971 . 1 1 98 98 MET CA C 13 57.310 0.046 . . . . . . 543 MET CA . 19204 1 972 . 1 1 98 98 MET CB C 13 34.335 0.033 . . . . . . 543 MET CB . 19204 1 973 . 1 1 98 98 MET CG C 13 32.538 0.000 . . . . . . 543 MET CG . 19204 1 974 . 1 1 98 98 MET N N 15 126.120 0.022 . . . . . . 543 MET N . 19204 1 stop_ save_