data_11038 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11038 _Entry.Title ; The DNA binding domain of RTBP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-22 _Entry.Accession_date 2008-03-23 _Entry.Last_release_date 2009-04-29 _Entry.Original_release_date 2009-04-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 Weontae Lee N. . . 11038 2 Sunggeon Ko . . . 11038 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID plant . 11038 'telomere binding protein' . 11038 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11038 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 11038 '15N chemical shifts' 113 11038 '1H chemical shifts' 678 11038 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-04-29 2008-03-22 original author . 11038 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ROH 'BMRB Entry Tracking System' 11038 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 11038 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19152316 _Citation.Full_citation . _Citation.Title 'Solution structure of the DNA binding domain of rice telomere binding protein RTBP1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 5 _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 827 _Citation.Page_last 838 _Citation.Year 2009 _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 Sunggeon Ko . . . 11038 1 2 'Eun Young' Yu . . . 11038 1 3 Joon Shin . . . 11038 1 4 'Hyun Hee' Yoo . . . 11038 1 5 Toshiyuki Tanaka . . . 11038 1 6 'Woo Taek' Kim . . . 11038 1 7 Hyun-Soo Cho . . . 11038 1 8 Weontae Lee . . . 11038 1 9 'In Kwon' Chung . . . 11038 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11038 _Assembly.ID 1 _Assembly.Name 'The DNA binding domain of RTBP1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'The DNA binding domain of RTBP1' 1 $entity_1 A . yes native no no . . . 11038 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11038 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The DNA binding domain of RTBP1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPFADPNSLALANVPLSRS KRPDFGQRRIRRPFTVAEVE LLVEAVEHLGTGRWRDVKFR AFENVHHRTYVDLKDKWKTL VHTASIAPQQRRGAPVPQEL LDRVLAAQAYWSVDSSGRIV TL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; P,506 F,507 A,508 ; _Entity.Polymer_author_seq_details 'First G and S and "VDSSGRIVTL" in C-terminal were from cloining artifacts.' _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'The DNA binding domain of RTBP1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13862.927 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2ROH . "The Dna Binding Domain Of Rtbp1" . . . . . 100.00 122 100.00 100.00 6.14e-82 . . . . 11038 1 2 no GB AAF97508 . "telomere binding protein-1 [Oryza sativa]" . . . . . 90.16 633 100.00 100.00 2.79e-70 . . . . 11038 1 3 no GB EAY88030 . "hypothetical protein OsI_09453 [Oryza sativa Indica Group]" . . . . . 90.16 633 99.09 99.09 8.25e-69 . . . . 11038 1 4 no GB EAZ25089 . "hypothetical protein OsJ_08881 [Oryza sativa Japonica Group]" . . . . . 87.70 638 99.07 100.00 1.12e-66 . . . . 11038 1 5 no SP Q9LL45 . "RecName: Full=Telomere-binding protein 1; AltName: Full=Protein RTBP1" . . . . . 90.16 633 100.00 100.00 2.59e-70 . . . . 11038 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding; plant telomere binding' 11038 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 -2 GLY . 11038 1 2 -1 SER . 11038 1 3 506 PRO . 11038 1 4 507 PHE . 11038 1 5 508 ALA . 11038 1 6 509 ASP . 11038 1 7 510 PRO . 11038 1 8 511 ASN . 11038 1 9 512 SER . 11038 1 10 513 LEU . 11038 1 11 514 ALA . 11038 1 12 515 LEU . 11038 1 13 516 ALA . 11038 1 14 517 ASN . 11038 1 15 518 VAL . 11038 1 16 519 PRO . 11038 1 17 520 LEU . 11038 1 18 521 SER . 11038 1 19 522 ARG . 11038 1 20 523 SER . 11038 1 21 524 LYS . 11038 1 22 525 ARG . 11038 1 23 526 PRO . 11038 1 24 527 ASP . 11038 1 25 528 PHE . 11038 1 26 529 GLY . 11038 1 27 530 GLN . 11038 1 28 531 ARG . 11038 1 29 532 ARG . 11038 1 30 533 ILE . 11038 1 31 534 ARG . 11038 1 32 535 ARG . 11038 1 33 536 PRO . 11038 1 34 537 PHE . 11038 1 35 538 THR . 11038 1 36 539 VAL . 11038 1 37 540 ALA . 11038 1 38 541 GLU . 11038 1 39 542 VAL . 11038 1 40 543 GLU . 11038 1 41 544 LEU . 11038 1 42 545 LEU . 11038 1 43 546 VAL . 11038 1 44 547 GLU . 11038 1 45 548 ALA . 11038 1 46 549 VAL . 11038 1 47 550 GLU . 11038 1 48 551 HIS . 11038 1 49 552 LEU . 11038 1 50 553 GLY . 11038 1 51 554 THR . 11038 1 52 555 GLY . 11038 1 53 556 ARG . 11038 1 54 557 TRP . 11038 1 55 558 ARG . 11038 1 56 559 ASP . 11038 1 57 560 VAL . 11038 1 58 561 LYS . 11038 1 59 562 PHE . 11038 1 60 563 ARG . 11038 1 61 564 ALA . 11038 1 62 565 PHE . 11038 1 63 566 GLU . 11038 1 64 567 ASN . 11038 1 65 568 VAL . 11038 1 66 569 HIS . 11038 1 67 570 HIS . 11038 1 68 571 ARG . 11038 1 69 572 THR . 11038 1 70 573 TYR . 11038 1 71 574 VAL . 11038 1 72 575 ASP . 11038 1 73 576 LEU . 11038 1 74 577 LYS . 11038 1 75 578 ASP . 11038 1 76 579 LYS . 11038 1 77 580 TRP . 11038 1 78 581 LYS . 11038 1 79 582 THR . 11038 1 80 583 LEU . 11038 1 81 584 VAL . 11038 1 82 585 HIS . 11038 1 83 586 THR . 11038 1 84 587 ALA . 11038 1 85 588 SER . 11038 1 86 589 ILE . 11038 1 87 590 ALA . 11038 1 88 591 PRO . 11038 1 89 592 GLN . 11038 1 90 593 GLN . 11038 1 91 594 ARG . 11038 1 92 595 ARG . 11038 1 93 596 GLY . 11038 1 94 597 ALA . 11038 1 95 598 PRO . 11038 1 96 599 VAL . 11038 1 97 600 PRO . 11038 1 98 601 GLN . 11038 1 99 602 GLU . 11038 1 100 603 LEU . 11038 1 101 604 LEU . 11038 1 102 605 ASP . 11038 1 103 606 ARG . 11038 1 104 607 VAL . 11038 1 105 608 LEU . 11038 1 106 609 ALA . 11038 1 107 610 ALA . 11038 1 108 611 GLN . 11038 1 109 612 ALA . 11038 1 110 613 TYR . 11038 1 111 614 TRP . 11038 1 112 615 SER . 11038 1 113 1 VAL . 11038 1 114 2 ASP . 11038 1 115 3 SER . 11038 1 116 4 SER . 11038 1 117 5 GLY . 11038 1 118 6 ARG . 11038 1 119 7 ILE . 11038 1 120 8 VAL . 11038 1 121 9 THR . 11038 1 122 10 LEU . 11038 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11038 1 . SER 2 2 11038 1 . PRO 3 3 11038 1 . PHE 4 4 11038 1 . ALA 5 5 11038 1 . ASP 6 6 11038 1 . PRO 7 7 11038 1 . ASN 8 8 11038 1 . SER 9 9 11038 1 . LEU 10 10 11038 1 . ALA 11 11 11038 1 . LEU 12 12 11038 1 . ALA 13 13 11038 1 . ASN 14 14 11038 1 . VAL 15 15 11038 1 . PRO 16 16 11038 1 . LEU 17 17 11038 1 . SER 18 18 11038 1 . ARG 19 19 11038 1 . SER 20 20 11038 1 . LYS 21 21 11038 1 . ARG 22 22 11038 1 . PRO 23 23 11038 1 . ASP 24 24 11038 1 . PHE 25 25 11038 1 . GLY 26 26 11038 1 . GLN 27 27 11038 1 . ARG 28 28 11038 1 . ARG 29 29 11038 1 . ILE 30 30 11038 1 . ARG 31 31 11038 1 . ARG 32 32 11038 1 . PRO 33 33 11038 1 . PHE 34 34 11038 1 . THR 35 35 11038 1 . VAL 36 36 11038 1 . ALA 37 37 11038 1 . GLU 38 38 11038 1 . VAL 39 39 11038 1 . GLU 40 40 11038 1 . LEU 41 41 11038 1 . LEU 42 42 11038 1 . VAL 43 43 11038 1 . GLU 44 44 11038 1 . ALA 45 45 11038 1 . VAL 46 46 11038 1 . GLU 47 47 11038 1 . HIS 48 48 11038 1 . LEU 49 49 11038 1 . GLY 50 50 11038 1 . THR 51 51 11038 1 . GLY 52 52 11038 1 . ARG 53 53 11038 1 . TRP 54 54 11038 1 . ARG 55 55 11038 1 . ASP 56 56 11038 1 . VAL 57 57 11038 1 . LYS 58 58 11038 1 . PHE 59 59 11038 1 . ARG 60 60 11038 1 . ALA 61 61 11038 1 . PHE 62 62 11038 1 . GLU 63 63 11038 1 . ASN 64 64 11038 1 . VAL 65 65 11038 1 . HIS 66 66 11038 1 . HIS 67 67 11038 1 . ARG 68 68 11038 1 . THR 69 69 11038 1 . TYR 70 70 11038 1 . VAL 71 71 11038 1 . ASP 72 72 11038 1 . LEU 73 73 11038 1 . LYS 74 74 11038 1 . ASP 75 75 11038 1 . LYS 76 76 11038 1 . TRP 77 77 11038 1 . LYS 78 78 11038 1 . THR 79 79 11038 1 . LEU 80 80 11038 1 . VAL 81 81 11038 1 . HIS 82 82 11038 1 . THR 83 83 11038 1 . ALA 84 84 11038 1 . SER 85 85 11038 1 . ILE 86 86 11038 1 . ALA 87 87 11038 1 . PRO 88 88 11038 1 . GLN 89 89 11038 1 . GLN 90 90 11038 1 . ARG 91 91 11038 1 . ARG 92 92 11038 1 . GLY 93 93 11038 1 . ALA 94 94 11038 1 . PRO 95 95 11038 1 . VAL 96 96 11038 1 . PRO 97 97 11038 1 . GLN 98 98 11038 1 . GLU 99 99 11038 1 . LEU 100 100 11038 1 . LEU 101 101 11038 1 . ASP 102 102 11038 1 . ARG 103 103 11038 1 . VAL 104 104 11038 1 . LEU 105 105 11038 1 . ALA 106 106 11038 1 . ALA 107 107 11038 1 . GLN 108 108 11038 1 . ALA 109 109 11038 1 . TYR 110 110 11038 1 . TRP 111 111 11038 1 . SER 112 112 11038 1 . VAL 113 113 11038 1 . ASP 114 114 11038 1 . SER 115 115 11038 1 . SER 116 116 11038 1 . GLY 117 117 11038 1 . ARG 118 118 11038 1 . ILE 119 119 11038 1 . VAL 120 120 11038 1 . THR 121 121 11038 1 . LEU 122 122 11038 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 11038 _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 $entity_1 . 4530 organism . 'Oryza sativa' 'Oryza sativa' . . Eukaryota Viridiplantae Oryza sativa . . . . . . . . . . . . . . . . . . . . . 11038 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 11038 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . 'PGEX 4T-1' . . . 'PGEX 4T-1 contained TEV cleavage site for remove GST tags' . . 11038 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11038 _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 'The DNA binding domai of RTBP1' '[U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 11038 1 2 'Potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11038 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 11038 1 4 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 11038 1 5 H2O . . . . . . . 90 . . % . . . . 11038 1 6 D2O . . . . . . . 10 . . % . . . . 11038 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11038 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'The DNA binding domai of RTBP1' '[U-100% 13C]' . . 1 $entity_1 . . 1 . . mM . . . . 11038 2 2 'Potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11038 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 11038 2 4 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 11038 2 5 D2O . . . . . . . 100 . . % . . . . 11038 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11038 _Sample.ID 3 _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 'The DNA binding domai of RTBP1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 11038 3 2 'Potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11038 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 11038 3 4 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 11038 3 5 H2O . . . . . . . 90 . . % . . . . 11038 3 6 D2O . . . . . . . 10 . . % . . . . 11038 3 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 11038 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50mM KH2PO4, 100mM NaCl, 1mM NaN3, pH7.0' 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' 150 . mM 11038 1 pH 7.0 . pH 11038 1 pressure 1 . Pa 11038 1 temperature 303 . K 11038 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11038 _Software.ID 1 _Software.Name CYANA _Software.Version 2.2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11038 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11038 1 'structure solution' 11038 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11038 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11038 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11038 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11038 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11038 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11038 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 11038 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 11038 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11038 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11038 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11038 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11038 5 'peak picking' 11038 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11038 _Software.ID 6 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11038 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11038 6 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 11038 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryo-probe system installed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11038 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryo-probe system installed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11038 _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 'cryo-probe system installed' . . 11038 1 2 spectrometer_2 Bruker DRX . 900 'cryo-probe system installed' . . 11038 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 11038 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11038 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 5 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 6 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 12 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11038 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11038 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11038 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11038 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11038 _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 . indirect 0.251449530 . . . . . . . . . 11038 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11038 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11038 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 11038 _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 $chemical_shift_reference_1 _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' 1 $sample_1 isotropic 11038 1 4 '3D CBCA(CO)NH' 3 $sample_3 isotropic 11038 1 5 '3D HNCO' 3 $sample_3 isotropic 11038 1 7 '3D HNCACB' 3 $sample_3 isotropic 11038 1 8 '3D HBHA(CO)NH' 3 $sample_3 isotropic 11038 1 9 '3D HCCH-TOCSY' 3 $sample_3 isotropic 11038 1 12 '3D HNHA' 1 $sample_1 isotropic 11038 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $SPARKY . . 11038 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 GLY N N 15 104.270 0.400 . 1 . . . . -2 GLY N . 11038 1 2 . 1 1 1 1 GLY H H 1 8.338 0.020 . 1 . . . . -2 GLY H . 11038 1 3 . 1 1 2 2 SER N N 15 104.283 0.400 . 1 . . . . -1 SER N . 11038 1 4 . 1 1 2 2 SER H H 1 8.239 0.020 . 1 . . . . -1 SER H . 11038 1 5 . 1 1 3 3 PRO CA C 13 61.307 0.400 . 1 . . . . 506 PRO CA . 11038 1 6 . 1 1 3 3 PRO CB C 13 29.729 0.400 . 1 . . . . 506 PRO CB . 11038 1 7 . 1 1 3 3 PRO C C 13 176.523 0.400 . 1 . . . . 506 PRO C . 11038 1 8 . 1 1 4 4 PHE N N 15 119.117 0.400 . 1 . . . . 507 PHE N . 11038 1 9 . 1 1 4 4 PHE H H 1 7.957 0.020 . 1 . . . . 507 PHE H . 11038 1 10 . 1 1 4 4 PHE CA C 13 55.131 0.400 . 1 . . . . 507 PHE CA . 11038 1 11 . 1 1 4 4 PHE HA H 1 4.528 0.020 . 1 . . . . 507 PHE HA . 11038 1 12 . 1 1 4 4 PHE CB C 13 37.248 0.400 . 1 . . . . 507 PHE CB . 11038 1 13 . 1 1 4 4 PHE HB2 H 1 3.089 0.020 . 2 . . . . 507 PHE HB2 . 11038 1 14 . 1 1 4 4 PHE HB3 H 1 2.892 0.020 . 2 . . . . 507 PHE HB3 . 11038 1 15 . 1 1 4 4 PHE C C 13 175.200 0.400 . 1 . . . . 507 PHE C . 11038 1 16 . 1 1 5 5 ALA N N 15 125.310 0.400 . 1 . . . . 508 ALA N . 11038 1 17 . 1 1 5 5 ALA H H 1 7.900 0.020 . 1 . . . . 508 ALA H . 11038 1 18 . 1 1 5 5 ALA CA C 13 49.941 0.400 . 1 . . . . 508 ALA CA . 11038 1 19 . 1 1 5 5 ALA HA H 1 4.203 0.020 . 1 . . . . 508 ALA HA . 11038 1 20 . 1 1 5 5 ALA HB1 H 1 1.243 0.020 . 1 . . . . 508 ALA HB . 11038 1 21 . 1 1 5 5 ALA HB2 H 1 1.243 0.020 . 1 . . . . 508 ALA HB . 11038 1 22 . 1 1 5 5 ALA HB3 H 1 1.243 0.020 . 1 . . . . 508 ALA HB . 11038 1 23 . 1 1 5 5 ALA CB C 13 17.396 0.400 . 1 . . . . 508 ALA CB . 11038 1 24 . 1 1 5 5 ALA C C 13 176.560 0.400 . 1 . . . . 508 ALA C . 11038 1 25 . 1 1 6 6 ASP N N 15 121.205 0.400 . 1 . . . . 509 ASP N . 11038 1 26 . 1 1 6 6 ASP H H 1 8.123 0.020 . 1 . . . . 509 ASP H . 11038 1 27 . 1 1 6 6 ASP CA C 13 49.812 0.400 . 1 . . . . 509 ASP CA . 11038 1 28 . 1 1 6 6 ASP HA H 1 4.734 0.020 . 1 . . . . 509 ASP HA . 11038 1 29 . 1 1 6 6 ASP CB C 13 39.348 0.400 . 1 . . . . 509 ASP CB . 11038 1 30 . 1 1 6 6 ASP HB2 H 1 2.701 0.020 . 2 . . . . 509 ASP HB2 . 11038 1 31 . 1 1 6 6 ASP HB3 H 1 2.522 0.020 . 2 . . . . 509 ASP HB3 . 11038 1 32 . 1 1 7 7 PRO CA C 13 61.813 0.400 . 1 . . . . 510 PRO CA . 11038 1 33 . 1 1 7 7 PRO CB C 13 29.986 0.400 . 1 . . . . 510 PRO CB . 11038 1 34 . 1 1 7 7 PRO C C 13 177.532 0.400 . 1 . . . . 510 PRO C . 11038 1 35 . 1 1 8 8 ASN N N 15 116.900 0.400 . 1 . . . . 511 ASN N . 11038 1 36 . 1 1 8 8 ASN H H 1 8.468 0.020 . 1 . . . . 511 ASN H . 11038 1 37 . 1 1 8 8 ASN CA C 13 51.749 0.400 . 1 . . . . 511 ASN CA . 11038 1 38 . 1 1 8 8 ASN HA H 1 4.625 0.020 . 1 . . . . 511 ASN HA . 11038 1 39 . 1 1 8 8 ASN CB C 13 36.632 0.400 . 1 . . . . 511 ASN CB . 11038 1 40 . 1 1 8 8 ASN HB2 H 1 2.786 0.020 . 2 . . . . 511 ASN HB2 . 11038 1 41 . 1 1 8 8 ASN HB3 H 1 2.735 0.020 . 2 . . . . 511 ASN HB3 . 11038 1 42 . 1 1 8 8 ASN C C 13 175.810 0.400 . 1 . . . . 511 ASN C . 11038 1 43 . 1 1 9 9 SER N N 15 115.437 0.400 . 1 . . . . 512 SER N . 11038 1 44 . 1 1 9 9 SER H H 1 7.895 0.020 . 1 . . . . 512 SER H . 11038 1 45 . 1 1 9 9 SER CA C 13 57.027 0.400 . 1 . . . . 512 SER CA . 11038 1 46 . 1 1 9 9 SER HA H 1 4.337 0.020 . 1 . . . . 512 SER HA . 11038 1 47 . 1 1 9 9 SER CB C 13 61.466 0.400 . 1 . . . . 512 SER CB . 11038 1 48 . 1 1 9 9 SER HB2 H 1 3.866 0.020 . 2 . . . . 512 SER HB2 . 11038 1 49 . 1 1 9 9 SER HB3 H 1 3.866 0.020 . 2 . . . . 512 SER HB3 . 11038 1 50 . 1 1 9 9 SER C C 13 174.759 0.400 . 1 . . . . 512 SER C . 11038 1 51 . 1 1 10 10 LEU N N 15 123.539 0.400 . 1 . . . . 513 LEU N . 11038 1 52 . 1 1 10 10 LEU H H 1 7.958 0.020 . 1 . . . . 513 LEU H . 11038 1 53 . 1 1 10 10 LEU CA C 13 53.504 0.400 . 1 . . . . 513 LEU CA . 11038 1 54 . 1 1 10 10 LEU CB C 13 39.897 0.400 . 1 . . . . 513 LEU CB . 11038 1 55 . 1 1 10 10 LEU C C 13 177.488 0.400 . 1 . . . . 513 LEU C . 11038 1 56 . 1 1 11 11 ALA N N 15 123.435 0.400 . 1 . . . . 514 ALA N . 11038 1 57 . 1 1 11 11 ALA H H 1 7.967 0.020 . 1 . . . . 514 ALA H . 11038 1 58 . 1 1 11 11 ALA CA C 13 50.716 0.400 . 1 . . . . 514 ALA CA . 11038 1 59 . 1 1 11 11 ALA HA H 1 4.222 0.020 . 1 . . . . 514 ALA HA . 11038 1 60 . 1 1 11 11 ALA HB1 H 1 1.308 0.020 . 1 . . . . 514 ALA HB . 11038 1 61 . 1 1 11 11 ALA HB2 H 1 1.308 0.020 . 1 . . . . 514 ALA HB . 11038 1 62 . 1 1 11 11 ALA HB3 H 1 1.308 0.020 . 1 . . . . 514 ALA HB . 11038 1 63 . 1 1 11 11 ALA CB C 13 16.732 0.400 . 1 . . . . 514 ALA CB . 11038 1 64 . 1 1 11 11 ALA C C 13 178.016 0.400 . 1 . . . . 514 ALA C . 11038 1 65 . 1 1 12 12 LEU N N 15 120.015 0.400 . 1 . . . . 515 LEU N . 11038 1 66 . 1 1 12 12 LEU H H 1 7.851 0.020 . 1 . . . . 515 LEU H . 11038 1 67 . 1 1 12 12 LEU CA C 13 53.119 0.400 . 1 . . . . 515 LEU CA . 11038 1 68 . 1 1 12 12 LEU CB C 13 40.183 0.400 . 1 . . . . 515 LEU CB . 11038 1 69 . 1 1 12 12 LEU C C 13 177.311 0.400 . 1 . . . . 515 LEU C . 11038 1 70 . 1 1 13 13 ALA N N 15 123.335 0.400 . 1 . . . . 516 ALA N . 11038 1 71 . 1 1 13 13 ALA H H 1 7.946 0.020 . 1 . . . . 516 ALA H . 11038 1 72 . 1 1 13 13 ALA CA C 13 50.587 0.400 . 1 . . . . 516 ALA CA . 11038 1 73 . 1 1 13 13 ALA HA H 1 4.223 0.020 . 1 . . . . 516 ALA HA . 11038 1 74 . 1 1 13 13 ALA HB1 H 1 1.310 0.020 . 1 . . . . 516 ALA HB . 11038 1 75 . 1 1 13 13 ALA HB2 H 1 1.310 0.020 . 1 . . . . 516 ALA HB . 11038 1 76 . 1 1 13 13 ALA HB3 H 1 1.310 0.020 . 1 . . . . 516 ALA HB . 11038 1 77 . 1 1 13 13 ALA CB C 13 17.052 0.400 . 1 . . . . 516 ALA CB . 11038 1 78 . 1 1 13 13 ALA C C 13 177.506 0.400 . 1 . . . . 516 ALA C . 11038 1 79 . 1 1 14 14 ASN N N 15 117.041 0.400 . 1 . . . . 517 ASN N . 11038 1 80 . 1 1 14 14 ASN H H 1 8.191 0.020 . 1 . . . . 517 ASN H . 11038 1 81 . 1 1 14 14 ASN CA C 13 50.880 0.400 . 1 . . . . 517 ASN CA . 11038 1 82 . 1 1 14 14 ASN HA H 1 4.612 0.020 . 1 . . . . 517 ASN HA . 11038 1 83 . 1 1 14 14 ASN CB C 13 36.771 0.400 . 1 . . . . 517 ASN CB . 11038 1 84 . 1 1 14 14 ASN HB2 H 1 2.745 0.020 . 2 . . . . 517 ASN HB2 . 11038 1 85 . 1 1 14 14 ASN HB3 H 1 2.649 0.020 . 2 . . . . 517 ASN HB3 . 11038 1 86 . 1 1 14 14 ASN C C 13 174.715 0.400 . 1 . . . . 517 ASN C . 11038 1 87 . 1 1 15 15 VAL N N 15 121.323 0.400 . 1 . . . . 518 VAL N . 11038 1 88 . 1 1 15 15 VAL H H 1 7.822 0.020 . 1 . . . . 518 VAL H . 11038 1 89 . 1 1 15 15 VAL CA C 13 57.821 0.400 . 1 . . . . 518 VAL CA . 11038 1 90 . 1 1 15 15 VAL HA H 1 4.333 0.020 . 1 . . . . 518 VAL HA . 11038 1 91 . 1 1 15 15 VAL CB C 13 30.458 0.400 . 1 . . . . 518 VAL CB . 11038 1 92 . 1 1 15 15 VAL HB H 1 2.011 0.020 . 1 . . . . 518 VAL HB . 11038 1 93 . 1 1 15 15 VAL HG11 H 1 0.856 0.020 . 2 . . . . 518 VAL HG1 . 11038 1 94 . 1 1 15 15 VAL HG12 H 1 0.856 0.020 . 2 . . . . 518 VAL HG1 . 11038 1 95 . 1 1 15 15 VAL HG13 H 1 0.856 0.020 . 2 . . . . 518 VAL HG1 . 11038 1 96 . 1 1 15 15 VAL CG1 C 13 18.324 0.400 . 1 . . . . 518 VAL CG1 . 11038 1 97 . 1 1 16 16 PRO CA C 13 60.807 0.400 . 1 . . . . 519 PRO CA . 11038 1 98 . 1 1 16 16 PRO CB C 13 29.888 0.400 . 1 . . . . 519 PRO CB . 11038 1 99 . 1 1 16 16 PRO C C 13 176.795 0.400 . 1 . . . . 519 PRO C . 11038 1 100 . 1 1 17 17 LEU N N 15 122.418 0.400 . 1 . . . . 520 LEU N . 11038 1 101 . 1 1 17 17 LEU H H 1 8.236 0.020 . 1 . . . . 520 LEU H . 11038 1 102 . 1 1 17 17 LEU CA C 13 53.030 0.400 . 1 . . . . 520 LEU CA . 11038 1 103 . 1 1 17 17 LEU HA H 1 4.240 0.020 . 1 . . . . 520 LEU HA . 11038 1 104 . 1 1 17 17 LEU CB C 13 40.257 0.400 . 1 . . . . 520 LEU CB . 11038 1 105 . 1 1 17 17 LEU HB2 H 1 1.579 0.020 . 2 . . . . 520 LEU HB2 . 11038 1 106 . 1 1 17 17 LEU HB3 H 1 1.522 0.020 . 2 . . . . 520 LEU HB3 . 11038 1 107 . 1 1 17 17 LEU HD11 H 1 0.852 0.020 . 2 . . . . 520 LEU HD1 . 11038 1 108 . 1 1 17 17 LEU HD12 H 1 0.852 0.020 . 2 . . . . 520 LEU HD1 . 11038 1 109 . 1 1 17 17 LEU HD13 H 1 0.852 0.020 . 2 . . . . 520 LEU HD1 . 11038 1 110 . 1 1 17 17 LEU HD21 H 1 0.794 0.020 . 2 . . . . 520 LEU HD2 . 11038 1 111 . 1 1 17 17 LEU HD22 H 1 0.794 0.020 . 2 . . . . 520 LEU HD2 . 11038 1 112 . 1 1 17 17 LEU HD23 H 1 0.794 0.020 . 2 . . . . 520 LEU HD2 . 11038 1 113 . 1 1 17 17 LEU C C 13 177.438 0.400 . 1 . . . . 520 LEU C . 11038 1 114 . 1 1 18 18 SER N N 15 116.916 0.400 . 1 . . . . 521 SER N . 11038 1 115 . 1 1 18 18 SER H H 1 8.187 0.020 . 1 . . . . 521 SER H . 11038 1 116 . 1 1 18 18 SER CA C 13 55.830 0.400 . 1 . . . . 521 SER CA . 11038 1 117 . 1 1 18 18 SER HA H 1 4.392 0.020 . 1 . . . . 521 SER HA . 11038 1 118 . 1 1 18 18 SER CB C 13 61.728 0.400 . 1 . . . . 521 SER CB . 11038 1 119 . 1 1 18 18 SER HB2 H 1 3.787 0.020 . 2 . . . . 521 SER HB2 . 11038 1 120 . 1 1 18 18 SER HB3 H 1 3.787 0.020 . 2 . . . . 521 SER HB3 . 11038 1 121 . 1 1 18 18 SER C C 13 173.513 0.400 . 1 . . . . 521 SER C . 11038 1 122 . 1 1 19 19 ARG N N 15 128.110 0.400 . 1 . . . . 522 ARG N . 11038 1 123 . 1 1 19 19 ARG H H 1 7.903 0.020 . 1 . . . . 522 ARG H . 11038 1 124 . 1 1 19 19 ARG CA C 13 55.323 0.400 . 1 . . . . 522 ARG CA . 11038 1 125 . 1 1 19 19 ARG HA H 1 4.124 0.020 . 1 . . . . 522 ARG HA . 11038 1 126 . 1 1 19 19 ARG CB C 13 29.381 0.400 . 1 . . . . 522 ARG CB . 11038 1 127 . 1 1 19 19 ARG HB2 H 1 1.776 0.020 . 2 . . . . 522 ARG HB2 . 11038 1 128 . 1 1 19 19 ARG HB3 H 1 1.642 0.020 . 2 . . . . 522 ARG HB3 . 11038 1 129 . 1 1 19 19 ARG HG2 H 1 1.513 0.020 . 2 . . . . 522 ARG HG2 . 11038 1 130 . 1 1 19 19 ARG HG3 H 1 1.513 0.020 . 2 . . . . 522 ARG HG3 . 11038 1 131 . 1 1 19 19 ARG HD2 H 1 3.111 0.020 . 2 . . . . 522 ARG HD2 . 11038 1 132 . 1 1 19 19 ARG HD3 H 1 3.111 0.020 . 2 . . . . 522 ARG HD3 . 11038 1 133 . 1 1 21 21 LYS H H 1 8.423 0.020 . 1 . . . . 524 LYS H . 11038 1 134 . 1 1 21 21 LYS CA C 13 54.278 0.400 . 1 . . . . 524 LYS CA . 11038 1 135 . 1 1 21 21 LYS CB C 13 31.044 0.400 . 1 . . . . 524 LYS CB . 11038 1 136 . 1 1 21 21 LYS C C 13 176.369 0.400 . 1 . . . . 524 LYS C . 11038 1 137 . 1 1 22 22 ARG N N 15 123.933 0.400 . 1 . . . . 525 ARG N . 11038 1 138 . 1 1 22 22 ARG H H 1 8.421 0.020 . 1 . . . . 525 ARG H . 11038 1 139 . 1 1 22 22 ARG CA C 13 51.872 0.400 . 1 . . . . 525 ARG CA . 11038 1 140 . 1 1 22 22 ARG CB C 13 28.012 0.400 . 1 . . . . 525 ARG CB . 11038 1 141 . 1 1 23 23 PRO CA C 13 61.034 0.400 . 1 . . . . 526 PRO CA . 11038 1 142 . 1 1 23 23 PRO CB C 13 29.755 0.400 . 1 . . . . 526 PRO CB . 11038 1 143 . 1 1 23 23 PRO C C 13 176.246 0.400 . 1 . . . . 526 PRO C . 11038 1 144 . 1 1 24 24 ASP N N 15 119.793 0.400 . 1 . . . . 527 ASP N . 11038 1 145 . 1 1 24 24 ASP H H 1 8.228 0.020 . 1 . . . . 527 ASP H . 11038 1 146 . 1 1 24 24 ASP CA C 13 51.719 0.400 . 1 . . . . 527 ASP CA . 11038 1 147 . 1 1 24 24 ASP HA H 1 4.458 0.020 . 1 . . . . 527 ASP HA . 11038 1 148 . 1 1 24 24 ASP CB C 13 38.992 0.400 . 1 . . . . 527 ASP CB . 11038 1 149 . 1 1 24 24 ASP HB2 H 1 2.523 0.020 . 2 . . . . 527 ASP HB2 . 11038 1 150 . 1 1 24 24 ASP HB3 H 1 2.523 0.020 . 2 . . . . 527 ASP HB3 . 11038 1 151 . 1 1 24 24 ASP C C 13 176.178 0.400 . 1 . . . . 527 ASP C . 11038 1 152 . 1 1 25 25 PHE N N 15 120.859 0.400 . 1 . . . . 528 PHE N . 11038 1 153 . 1 1 25 25 PHE H H 1 8.094 0.020 . 1 . . . . 528 PHE H . 11038 1 154 . 1 1 25 25 PHE CA C 13 55.985 0.400 . 1 . . . . 528 PHE CA . 11038 1 155 . 1 1 25 25 PHE HA H 1 4.485 0.020 . 1 . . . . 528 PHE HA . 11038 1 156 . 1 1 25 25 PHE CB C 13 37.080 0.400 . 1 . . . . 528 PHE CB . 11038 1 157 . 1 1 25 25 PHE HB2 H 1 3.117 0.020 . 2 . . . . 528 PHE HB2 . 11038 1 158 . 1 1 25 25 PHE HB3 H 1 2.965 0.020 . 2 . . . . 528 PHE HB3 . 11038 1 159 . 1 1 25 25 PHE HD1 H 1 7.172 0.020 . 1 . . . . 528 PHE HD1 . 11038 1 160 . 1 1 25 25 PHE HD2 H 1 6.955 0.020 . 1 . . . . 528 PHE HD2 . 11038 1 161 . 1 1 25 25 PHE C C 13 176.570 0.400 . 1 . . . . 528 PHE C . 11038 1 162 . 1 1 26 26 GLY N N 15 109.958 0.400 . 1 . . . . 529 GLY N . 11038 1 163 . 1 1 26 26 GLY H H 1 8.373 0.020 . 1 . . . . 529 GLY H . 11038 1 164 . 1 1 26 26 GLY CA C 13 43.370 0.400 . 1 . . . . 529 GLY CA . 11038 1 165 . 1 1 26 26 GLY HA2 H 1 3.838 0.020 . 2 . . . . 529 GLY HA2 . 11038 1 166 . 1 1 26 26 GLY HA3 H 1 3.786 0.020 . 2 . . . . 529 GLY HA3 . 11038 1 167 . 1 1 26 26 GLY C C 13 174.316 0.400 . 1 . . . . 529 GLY C . 11038 1 168 . 1 1 27 27 GLN N N 15 119.727 0.400 . 1 . . . . 530 GLN N . 11038 1 169 . 1 1 27 27 GLN H H 1 8.089 0.020 . 1 . . . . 530 GLN H . 11038 1 170 . 1 1 27 27 GLN CA C 13 53.775 0.400 . 1 . . . . 530 GLN CA . 11038 1 171 . 1 1 27 27 GLN HA H 1 4.230 0.020 . 1 . . . . 530 GLN HA . 11038 1 172 . 1 1 27 27 GLN CB C 13 27.242 0.400 . 1 . . . . 530 GLN CB . 11038 1 173 . 1 1 27 27 GLN HB2 H 1 2.031 0.020 . 2 . . . . 530 GLN HB2 . 11038 1 174 . 1 1 27 27 GLN HB3 H 1 1.896 0.020 . 2 . . . . 530 GLN HB3 . 11038 1 175 . 1 1 27 27 GLN CG C 13 31.668 0.400 . 1 . . . . 530 GLN CG . 11038 1 176 . 1 1 27 27 GLN HG2 H 1 2.265 0.020 . 2 . . . . 530 GLN HG2 . 11038 1 177 . 1 1 27 27 GLN HG3 H 1 2.265 0.020 . 2 . . . . 530 GLN HG3 . 11038 1 178 . 1 1 27 27 GLN C C 13 176.178 0.400 . 1 . . . . 530 GLN C . 11038 1 179 . 1 1 28 28 ARG N N 15 121.926 0.400 . 1 . . . . 531 ARG N . 11038 1 180 . 1 1 28 28 ARG H H 1 8.255 0.020 . 1 . . . . 531 ARG H . 11038 1 181 . 1 1 28 28 ARG CA C 13 54.264 0.400 . 1 . . . . 531 ARG CA . 11038 1 182 . 1 1 28 28 ARG HA H 1 4.211 0.020 . 1 . . . . 531 ARG HA . 11038 1 183 . 1 1 28 28 ARG CB C 13 28.586 0.400 . 1 . . . . 531 ARG CB . 11038 1 184 . 1 1 28 28 ARG HB2 H 1 1.748 0.020 . 2 . . . . 531 ARG HB2 . 11038 1 185 . 1 1 28 28 ARG HB3 H 1 1.676 0.020 . 2 . . . . 531 ARG HB3 . 11038 1 186 . 1 1 28 28 ARG HG2 H 1 1.546 0.020 . 2 . . . . 531 ARG HG2 . 11038 1 187 . 1 1 28 28 ARG HG3 H 1 1.546 0.020 . 2 . . . . 531 ARG HG3 . 11038 1 188 . 1 1 28 28 ARG C C 13 176.137 0.400 . 1 . . . . 531 ARG C . 11038 1 189 . 1 1 29 29 ARG N N 15 122.604 0.400 . 1 . . . . 532 ARG N . 11038 1 190 . 1 1 29 29 ARG H H 1 8.295 0.020 . 1 . . . . 532 ARG H . 11038 1 191 . 1 1 29 29 ARG CA C 13 53.821 0.400 . 1 . . . . 532 ARG CA . 11038 1 192 . 1 1 29 29 ARG HA H 1 4.239 0.020 . 1 . . . . 532 ARG HA . 11038 1 193 . 1 1 29 29 ARG CB C 13 28.625 0.400 . 1 . . . . 532 ARG CB . 11038 1 194 . 1 1 29 29 ARG HB2 H 1 1.732 0.020 . 2 . . . . 532 ARG HB2 . 11038 1 195 . 1 1 29 29 ARG HB3 H 1 1.674 0.020 . 2 . . . . 532 ARG HB3 . 11038 1 196 . 1 1 29 29 ARG HG2 H 1 1.515 0.020 . 2 . . . . 532 ARG HG2 . 11038 1 197 . 1 1 29 29 ARG HG3 H 1 1.515 0.020 . 2 . . . . 532 ARG HG3 . 11038 1 198 . 1 1 29 29 ARG C C 13 175.973 0.400 . 1 . . . . 532 ARG C . 11038 1 199 . 1 1 30 30 ILE N N 15 122.682 0.400 . 1 . . . . 533 ILE N . 11038 1 200 . 1 1 30 30 ILE H H 1 8.155 0.020 . 1 . . . . 533 ILE H . 11038 1 201 . 1 1 30 30 ILE CA C 13 58.900 0.400 . 1 . . . . 533 ILE CA . 11038 1 202 . 1 1 30 30 ILE HA H 1 4.143 0.020 . 1 . . . . 533 ILE HA . 11038 1 203 . 1 1 30 30 ILE CB C 13 36.383 0.400 . 1 . . . . 533 ILE CB . 11038 1 204 . 1 1 30 30 ILE HB H 1 1.772 0.020 . 1 . . . . 533 ILE HB . 11038 1 205 . 1 1 30 30 ILE HG21 H 1 0.806 0.020 . 1 . . . . 533 ILE HG2 . 11038 1 206 . 1 1 30 30 ILE HG22 H 1 0.806 0.020 . 1 . . . . 533 ILE HG2 . 11038 1 207 . 1 1 30 30 ILE HG23 H 1 0.806 0.020 . 1 . . . . 533 ILE HG2 . 11038 1 208 . 1 1 30 30 ILE CG2 C 13 15.329 0.400 . 1 . . . . 533 ILE CG2 . 11038 1 209 . 1 1 30 30 ILE CG1 C 13 25.160 0.400 . 1 . . . . 533 ILE CG1 . 11038 1 210 . 1 1 30 30 ILE HG12 H 1 1.423 0.020 . 2 . . . . 533 ILE HG12 . 11038 1 211 . 1 1 30 30 ILE HG13 H 1 1.110 0.020 . 2 . . . . 533 ILE HG13 . 11038 1 212 . 1 1 30 30 ILE HD11 H 1 0.779 0.020 . 1 . . . . 533 ILE HD1 . 11038 1 213 . 1 1 30 30 ILE HD12 H 1 0.779 0.020 . 1 . . . . 533 ILE HD1 . 11038 1 214 . 1 1 30 30 ILE HD13 H 1 0.779 0.020 . 1 . . . . 533 ILE HD1 . 11038 1 215 . 1 1 30 30 ILE CD1 C 13 10.532 0.400 . 1 . . . . 533 ILE CD1 . 11038 1 216 . 1 1 30 30 ILE C C 13 176.013 0.400 . 1 . . . . 533 ILE C . 11038 1 217 . 1 1 31 31 ARG N N 15 126.499 0.400 . 1 . . . . 534 ARG N . 11038 1 218 . 1 1 31 31 ARG H H 1 8.418 0.020 . 1 . . . . 534 ARG H . 11038 1 219 . 1 1 31 31 ARG CA C 13 53.542 0.400 . 1 . . . . 534 ARG CA . 11038 1 220 . 1 1 31 31 ARG HA H 1 4.303 0.020 . 1 . . . . 534 ARG HA . 11038 1 221 . 1 1 31 31 ARG CB C 13 28.651 0.400 . 1 . . . . 534 ARG CB . 11038 1 222 . 1 1 31 31 ARG HB2 H 1 1.716 0.020 . 2 . . . . 534 ARG HB2 . 11038 1 223 . 1 1 31 31 ARG HB3 H 1 1.640 0.020 . 2 . . . . 534 ARG HB3 . 11038 1 224 . 1 1 31 31 ARG HG2 H 1 1.529 0.020 . 2 . . . . 534 ARG HG2 . 11038 1 225 . 1 1 31 31 ARG HG3 H 1 1.529 0.020 . 2 . . . . 534 ARG HG3 . 11038 1 226 . 1 1 31 31 ARG C C 13 175.967 0.400 . 1 . . . . 534 ARG C . 11038 1 227 . 1 1 32 32 ARG N N 15 124.397 0.400 . 1 . . . . 535 ARG N . 11038 1 228 . 1 1 32 32 ARG H H 1 8.750 0.020 . 1 . . . . 535 ARG H . 11038 1 229 . 1 1 32 32 ARG CA C 13 51.591 0.400 . 1 . . . . 535 ARG CA . 11038 1 230 . 1 1 32 32 ARG HA H 1 4.572 0.020 . 1 . . . . 535 ARG HA . 11038 1 231 . 1 1 32 32 ARG CB C 13 28.016 0.400 . 1 . . . . 535 ARG CB . 11038 1 232 . 1 1 32 32 ARG HB2 H 1 1.658 0.020 . 2 . . . . 535 ARG HB2 . 11038 1 233 . 1 1 32 32 ARG HB3 H 1 1.519 0.020 . 2 . . . . 535 ARG HB3 . 11038 1 234 . 1 1 32 32 ARG HG2 H 1 1.442 0.020 . 2 . . . . 535 ARG HG2 . 11038 1 235 . 1 1 32 32 ARG HG3 H 1 1.442 0.020 . 2 . . . . 535 ARG HG3 . 11038 1 236 . 1 1 33 33 PRO CA C 13 61.059 0.400 . 1 . . . . 536 PRO CA . 11038 1 237 . 1 1 33 33 PRO HA H 1 4.545 0.020 . 1 . . . . 536 PRO HA . 11038 1 238 . 1 1 33 33 PRO CB C 13 30.044 0.400 . 1 . . . . 536 PRO CB . 11038 1 239 . 1 1 33 33 PRO HB2 H 1 2.327 0.020 . 2 . . . . 536 PRO HB2 . 11038 1 240 . 1 1 33 33 PRO HB3 H 1 1.805 0.020 . 2 . . . . 536 PRO HB3 . 11038 1 241 . 1 1 33 33 PRO CG C 13 25.138 0.400 . 1 . . . . 536 PRO CG . 11038 1 242 . 1 1 33 33 PRO HG2 H 1 1.970 0.020 . 2 . . . . 536 PRO HG2 . 11038 1 243 . 1 1 33 33 PRO HG3 H 1 1.970 0.020 . 2 . . . . 536 PRO HG3 . 11038 1 244 . 1 1 33 33 PRO HD2 H 1 3.793 0.020 . 2 . . . . 536 PRO HD2 . 11038 1 245 . 1 1 33 33 PRO HD3 H 1 3.594 0.020 . 2 . . . . 536 PRO HD3 . 11038 1 246 . 1 1 33 33 PRO C C 13 177.175 0.400 . 1 . . . . 536 PRO C . 11038 1 247 . 1 1 34 34 PHE N N 15 124.330 0.400 . 1 . . . . 537 PHE N . 11038 1 248 . 1 1 34 34 PHE H H 1 9.274 0.020 . 1 . . . . 537 PHE H . 11038 1 249 . 1 1 34 34 PHE CA C 13 55.616 0.400 . 1 . . . . 537 PHE CA . 11038 1 250 . 1 1 34 34 PHE HA H 1 4.672 0.020 . 1 . . . . 537 PHE HA . 11038 1 251 . 1 1 34 34 PHE CB C 13 37.691 0.400 . 1 . . . . 537 PHE CB . 11038 1 252 . 1 1 34 34 PHE HB2 H 1 2.908 0.020 . 2 . . . . 537 PHE HB2 . 11038 1 253 . 1 1 34 34 PHE HB3 H 1 2.908 0.020 . 2 . . . . 537 PHE HB3 . 11038 1 254 . 1 1 34 34 PHE HD1 H 1 7.232 0.020 . 1 . . . . 537 PHE HD1 . 11038 1 255 . 1 1 34 34 PHE HD2 H 1 7.029 0.020 . 1 . . . . 537 PHE HD2 . 11038 1 256 . 1 1 34 34 PHE C C 13 178.214 0.400 . 1 . . . . 537 PHE C . 11038 1 257 . 1 1 35 35 THR N N 15 115.985 0.400 . 1 . . . . 538 THR N . 11038 1 258 . 1 1 35 35 THR H H 1 9.054 0.020 . 1 . . . . 538 THR H . 11038 1 259 . 1 1 35 35 THR CA C 13 58.247 0.400 . 1 . . . . 538 THR CA . 11038 1 260 . 1 1 35 35 THR HA H 1 4.554 0.020 . 1 . . . . 538 THR HA . 11038 1 261 . 1 1 35 35 THR CB C 13 68.760 0.400 . 1 . . . . 538 THR CB . 11038 1 262 . 1 1 35 35 THR HB H 1 4.748 0.020 . 1 . . . . 538 THR HB . 11038 1 263 . 1 1 35 35 THR HG21 H 1 1.318 0.020 . 1 . . . . 538 THR HG2 . 11038 1 264 . 1 1 35 35 THR HG22 H 1 1.318 0.020 . 1 . . . . 538 THR HG2 . 11038 1 265 . 1 1 35 35 THR HG23 H 1 1.318 0.020 . 1 . . . . 538 THR HG2 . 11038 1 266 . 1 1 35 35 THR C C 13 176.007 0.400 . 1 . . . . 538 THR C . 11038 1 267 . 1 1 36 36 VAL N N 15 121.859 0.400 . 1 . . . . 539 VAL N . 11038 1 268 . 1 1 36 36 VAL H H 1 8.834 0.020 . 1 . . . . 539 VAL H . 11038 1 269 . 1 1 36 36 VAL CA C 13 65.306 0.400 . 1 . . . . 539 VAL CA . 11038 1 270 . 1 1 36 36 VAL HA H 1 3.620 0.020 . 1 . . . . 539 VAL HA . 11038 1 271 . 1 1 36 36 VAL CB C 13 29.165 0.400 . 1 . . . . 539 VAL CB . 11038 1 272 . 1 1 36 36 VAL HB H 1 2.067 0.020 . 1 . . . . 539 VAL HB . 11038 1 273 . 1 1 36 36 VAL HG11 H 1 1.099 0.020 . 2 . . . . 539 VAL HG1 . 11038 1 274 . 1 1 36 36 VAL HG12 H 1 1.099 0.020 . 2 . . . . 539 VAL HG1 . 11038 1 275 . 1 1 36 36 VAL HG13 H 1 1.099 0.020 . 2 . . . . 539 VAL HG1 . 11038 1 276 . 1 1 36 36 VAL HG21 H 1 0.942 0.020 . 2 . . . . 539 VAL HG2 . 11038 1 277 . 1 1 36 36 VAL HG22 H 1 0.942 0.020 . 2 . . . . 539 VAL HG2 . 11038 1 278 . 1 1 36 36 VAL HG23 H 1 0.942 0.020 . 2 . . . . 539 VAL HG2 . 11038 1 279 . 1 1 36 36 VAL CG1 C 13 21.425 0.400 . 1 . . . . 539 VAL CG1 . 11038 1 280 . 1 1 36 36 VAL CG2 C 13 19.461 0.400 . 1 . . . . 539 VAL CG2 . 11038 1 281 . 1 1 36 36 VAL C C 13 177.841 0.400 . 1 . . . . 539 VAL C . 11038 1 282 . 1 1 37 37 ALA N N 15 121.732 0.400 . 1 . . . . 540 ALA N . 11038 1 283 . 1 1 37 37 ALA H H 1 8.153 0.020 . 1 . . . . 540 ALA H . 11038 1 284 . 1 1 37 37 ALA CA C 13 52.954 0.400 . 1 . . . . 540 ALA CA . 11038 1 285 . 1 1 37 37 ALA HA H 1 4.222 0.020 . 1 . . . . 540 ALA HA . 11038 1 286 . 1 1 37 37 ALA HB1 H 1 1.392 0.020 . 1 . . . . 540 ALA HB . 11038 1 287 . 1 1 37 37 ALA HB2 H 1 1.392 0.020 . 1 . . . . 540 ALA HB . 11038 1 288 . 1 1 37 37 ALA HB3 H 1 1.392 0.020 . 1 . . . . 540 ALA HB . 11038 1 289 . 1 1 37 37 ALA CB C 13 16.038 0.400 . 1 . . . . 540 ALA CB . 11038 1 290 . 1 1 37 37 ALA C C 13 181.234 0.400 . 1 . . . . 540 ALA C . 11038 1 291 . 1 1 38 38 GLU N N 15 117.726 0.400 . 1 . . . . 541 GLU N . 11038 1 292 . 1 1 38 38 GLU H H 1 7.864 0.020 . 1 . . . . 541 GLU H . 11038 1 293 . 1 1 38 38 GLU CA C 13 57.887 0.400 . 1 . . . . 541 GLU CA . 11038 1 294 . 1 1 38 38 GLU HA H 1 4.104 0.020 . 1 . . . . 541 GLU HA . 11038 1 295 . 1 1 38 38 GLU CB C 13 30.468 0.400 . 1 . . . . 541 GLU CB . 11038 1 296 . 1 1 38 38 GLU HB2 H 1 2.666 0.020 . 2 . . . . 541 GLU HB2 . 11038 1 297 . 1 1 38 38 GLU HB3 H 1 2.139 0.020 . 2 . . . . 541 GLU HB3 . 11038 1 298 . 1 1 38 38 GLU CG C 13 37.030 0.400 . 1 . . . . 541 GLU CG . 11038 1 299 . 1 1 38 38 GLU HG2 H 1 2.678 0.020 . 2 . . . . 541 GLU HG2 . 11038 1 300 . 1 1 38 38 GLU HG3 H 1 2.132 0.020 . 2 . . . . 541 GLU HG3 . 11038 1 301 . 1 1 38 38 GLU C C 13 179.284 0.400 . 1 . . . . 541 GLU C . 11038 1 302 . 1 1 39 39 VAL N N 15 120.823 0.400 . 1 . . . . 542 VAL N . 11038 1 303 . 1 1 39 39 VAL H H 1 8.485 0.020 . 1 . . . . 542 VAL H . 11038 1 304 . 1 1 39 39 VAL CA C 13 65.927 0.400 . 1 . . . . 542 VAL CA . 11038 1 305 . 1 1 39 39 VAL HA H 1 3.622 0.020 . 1 . . . . 542 VAL HA . 11038 1 306 . 1 1 39 39 VAL CB C 13 28.704 0.400 . 1 . . . . 542 VAL CB . 11038 1 307 . 1 1 39 39 VAL HB H 1 2.455 0.020 . 1 . . . . 542 VAL HB . 11038 1 308 . 1 1 39 39 VAL HG11 H 1 1.062 0.020 . 2 . . . . 542 VAL HG1 . 11038 1 309 . 1 1 39 39 VAL HG12 H 1 1.062 0.020 . 2 . . . . 542 VAL HG1 . 11038 1 310 . 1 1 39 39 VAL HG13 H 1 1.062 0.020 . 2 . . . . 542 VAL HG1 . 11038 1 311 . 1 1 39 39 VAL HG21 H 1 0.889 0.020 . 2 . . . . 542 VAL HG2 . 11038 1 312 . 1 1 39 39 VAL HG22 H 1 0.889 0.020 . 2 . . . . 542 VAL HG2 . 11038 1 313 . 1 1 39 39 VAL HG23 H 1 0.889 0.020 . 2 . . . . 542 VAL HG2 . 11038 1 314 . 1 1 39 39 VAL CG1 C 13 21.823 0.400 . 1 . . . . 542 VAL CG1 . 11038 1 315 . 1 1 39 39 VAL CG2 C 13 21.060 0.400 . 1 . . . . 542 VAL CG2 . 11038 1 316 . 1 1 39 39 VAL C C 13 177.650 0.400 . 1 . . . . 542 VAL C . 11038 1 317 . 1 1 40 40 GLU N N 15 119.922 0.400 . 1 . . . . 543 GLU N . 11038 1 318 . 1 1 40 40 GLU H H 1 8.563 0.020 . 1 . . . . 543 GLU H . 11038 1 319 . 1 1 40 40 GLU CA C 13 58.718 0.400 . 1 . . . . 543 GLU CA . 11038 1 320 . 1 1 40 40 GLU HA H 1 3.795 0.020 . 1 . . . . 543 GLU HA . 11038 1 321 . 1 1 40 40 GLU CB C 13 26.932 0.400 . 1 . . . . 543 GLU CB . 11038 1 322 . 1 1 40 40 GLU HB2 H 1 2.195 0.020 . 2 . . . . 543 GLU HB2 . 11038 1 323 . 1 1 40 40 GLU HB3 H 1 2.105 0.020 . 2 . . . . 543 GLU HB3 . 11038 1 324 . 1 1 40 40 GLU CG C 13 34.700 0.400 . 1 . . . . 543 GLU CG . 11038 1 325 . 1 1 40 40 GLU HG2 H 1 2.309 0.020 . 2 . . . . 543 GLU HG2 . 11038 1 326 . 1 1 40 40 GLU HG3 H 1 2.250 0.020 . 2 . . . . 543 GLU HG3 . 11038 1 327 . 1 1 40 40 GLU C C 13 178.513 0.400 . 1 . . . . 543 GLU C . 11038 1 328 . 1 1 41 41 LEU N N 15 118.380 0.400 . 1 . . . . 544 LEU N . 11038 1 329 . 1 1 41 41 LEU H H 1 7.754 0.020 . 1 . . . . 544 LEU H . 11038 1 330 . 1 1 41 41 LEU CA C 13 55.763 0.400 . 1 . . . . 544 LEU CA . 11038 1 331 . 1 1 41 41 LEU HA H 1 4.030 0.020 . 1 . . . . 544 LEU HA . 11038 1 332 . 1 1 41 41 LEU CB C 13 40.556 0.400 . 1 . . . . 544 LEU CB . 11038 1 333 . 1 1 41 41 LEU HB2 H 1 1.984 0.020 . 2 . . . . 544 LEU HB2 . 11038 1 334 . 1 1 41 41 LEU HB3 H 1 1.081 0.020 . 2 . . . . 544 LEU HB3 . 11038 1 335 . 1 1 41 41 LEU CG C 13 24.427 0.400 . 1 . . . . 544 LEU CG . 11038 1 336 . 1 1 41 41 LEU HG H 1 1.745 0.020 . 1 . . . . 544 LEU HG . 11038 1 337 . 1 1 41 41 LEU HD11 H 1 0.645 0.020 . 2 . . . . 544 LEU HD1 . 11038 1 338 . 1 1 41 41 LEU HD12 H 1 0.645 0.020 . 2 . . . . 544 LEU HD1 . 11038 1 339 . 1 1 41 41 LEU HD13 H 1 0.645 0.020 . 2 . . . . 544 LEU HD1 . 11038 1 340 . 1 1 41 41 LEU HD21 H 1 0.726 0.020 . 2 . . . . 544 LEU HD2 . 11038 1 341 . 1 1 41 41 LEU HD22 H 1 0.726 0.020 . 2 . . . . 544 LEU HD2 . 11038 1 342 . 1 1 41 41 LEU HD23 H 1 0.726 0.020 . 2 . . . . 544 LEU HD2 . 11038 1 343 . 1 1 41 41 LEU CD1 C 13 22.972 0.400 . 1 . . . . 544 LEU CD1 . 11038 1 344 . 1 1 41 41 LEU CD2 C 13 20.608 0.400 . 1 . . . . 544 LEU CD2 . 11038 1 345 . 1 1 41 41 LEU C C 13 180.074 0.400 . 1 . . . . 544 LEU C . 11038 1 346 . 1 1 42 42 LEU N N 15 120.755 0.400 . 1 . . . . 545 LEU N . 11038 1 347 . 1 1 42 42 LEU H H 1 8.342 0.020 . 1 . . . . 545 LEU H . 11038 1 348 . 1 1 42 42 LEU CA C 13 56.569 0.400 . 1 . . . . 545 LEU CA . 11038 1 349 . 1 1 42 42 LEU HA H 1 4.204 0.020 . 1 . . . . 545 LEU HA . 11038 1 350 . 1 1 42 42 LEU CB C 13 40.809 0.400 . 1 . . . . 545 LEU CB . 11038 1 351 . 1 1 42 42 LEU HB2 H 1 2.599 0.020 . 2 . . . . 545 LEU HB2 . 11038 1 352 . 1 1 42 42 LEU HB3 H 1 1.785 0.020 . 2 . . . . 545 LEU HB3 . 11038 1 353 . 1 1 42 42 LEU CG C 13 25.542 0.400 . 1 . . . . 545 LEU CG . 11038 1 354 . 1 1 42 42 LEU HG H 1 1.918 0.020 . 1 . . . . 545 LEU HG . 11038 1 355 . 1 1 42 42 LEU HD11 H 1 1.004 0.020 . 2 . . . . 545 LEU HD1 . 11038 1 356 . 1 1 42 42 LEU HD12 H 1 1.004 0.020 . 2 . . . . 545 LEU HD1 . 11038 1 357 . 1 1 42 42 LEU HD13 H 1 1.004 0.020 . 2 . . . . 545 LEU HD1 . 11038 1 358 . 1 1 42 42 LEU HD21 H 1 1.234 0.020 . 2 . . . . 545 LEU HD2 . 11038 1 359 . 1 1 42 42 LEU HD22 H 1 1.234 0.020 . 2 . . . . 545 LEU HD2 . 11038 1 360 . 1 1 42 42 LEU HD23 H 1 1.234 0.020 . 2 . . . . 545 LEU HD2 . 11038 1 361 . 1 1 42 42 LEU CD1 C 13 24.848 0.400 . 1 . . . . 545 LEU CD1 . 11038 1 362 . 1 1 42 42 LEU CD2 C 13 23.018 0.400 . 1 . . . . 545 LEU CD2 . 11038 1 363 . 1 1 42 42 LEU C C 13 177.150 0.400 . 1 . . . . 545 LEU C . 11038 1 364 . 1 1 43 43 VAL N N 15 118.383 0.400 . 1 . . . . 546 VAL N . 11038 1 365 . 1 1 43 43 VAL H H 1 8.928 0.020 . 1 . . . . 546 VAL H . 11038 1 366 . 1 1 43 43 VAL CA C 13 65.372 0.400 . 1 . . . . 546 VAL CA . 11038 1 367 . 1 1 43 43 VAL HA H 1 3.760 0.020 . 1 . . . . 546 VAL HA . 11038 1 368 . 1 1 43 43 VAL CB C 13 29.644 0.400 . 1 . . . . 546 VAL CB . 11038 1 369 . 1 1 43 43 VAL HB H 1 2.136 0.020 . 1 . . . . 546 VAL HB . 11038 1 370 . 1 1 43 43 VAL HG11 H 1 1.142 0.020 . 2 . . . . 546 VAL HG1 . 11038 1 371 . 1 1 43 43 VAL HG12 H 1 1.142 0.020 . 2 . . . . 546 VAL HG1 . 11038 1 372 . 1 1 43 43 VAL HG13 H 1 1.142 0.020 . 2 . . . . 546 VAL HG1 . 11038 1 373 . 1 1 43 43 VAL HG21 H 1 0.925 0.020 . 2 . . . . 546 VAL HG2 . 11038 1 374 . 1 1 43 43 VAL HG22 H 1 0.925 0.020 . 2 . . . . 546 VAL HG2 . 11038 1 375 . 1 1 43 43 VAL HG23 H 1 0.925 0.020 . 2 . . . . 546 VAL HG2 . 11038 1 376 . 1 1 43 43 VAL CG1 C 13 22.081 0.400 . 1 . . . . 546 VAL CG1 . 11038 1 377 . 1 1 43 43 VAL CG2 C 13 19.482 0.400 . 1 . . . . 546 VAL CG2 . 11038 1 378 . 1 1 43 43 VAL C C 13 177.154 0.400 . 1 . . . . 546 VAL C . 11038 1 379 . 1 1 44 44 GLU N N 15 119.597 0.400 . 1 . . . . 547 GLU N . 11038 1 380 . 1 1 44 44 GLU H H 1 8.399 0.020 . 1 . . . . 547 GLU H . 11038 1 381 . 1 1 44 44 GLU CA C 13 57.464 0.400 . 1 . . . . 547 GLU CA . 11038 1 382 . 1 1 44 44 GLU HA H 1 4.289 0.020 . 1 . . . . 547 GLU HA . 11038 1 383 . 1 1 44 44 GLU CB C 13 27.053 0.400 . 1 . . . . 547 GLU CB . 11038 1 384 . 1 1 44 44 GLU HB2 H 1 2.044 0.020 . 2 . . . . 547 GLU HB2 . 11038 1 385 . 1 1 44 44 GLU HB3 H 1 2.116 0.020 . 2 . . . . 547 GLU HB3 . 11038 1 386 . 1 1 44 44 GLU CG C 13 34.283 0.400 . 1 . . . . 547 GLU CG . 11038 1 387 . 1 1 44 44 GLU HG2 H 1 2.480 0.020 . 2 . . . . 547 GLU HG2 . 11038 1 388 . 1 1 44 44 GLU HG3 H 1 2.249 0.020 . 2 . . . . 547 GLU HG3 . 11038 1 389 . 1 1 44 44 GLU C C 13 179.311 0.400 . 1 . . . . 547 GLU C . 11038 1 390 . 1 1 45 45 ALA N N 15 120.043 0.400 . 1 . . . . 548 ALA N . 11038 1 391 . 1 1 45 45 ALA H H 1 7.872 0.020 . 1 . . . . 548 ALA H . 11038 1 392 . 1 1 45 45 ALA CA C 13 53.342 0.400 . 1 . . . . 548 ALA CA . 11038 1 393 . 1 1 45 45 ALA HA H 1 3.974 0.020 . 1 . . . . 548 ALA HA . 11038 1 394 . 1 1 45 45 ALA HB1 H 1 1.615 0.020 . 1 . . . . 548 ALA HB . 11038 1 395 . 1 1 45 45 ALA HB2 H 1 1.615 0.020 . 1 . . . . 548 ALA HB . 11038 1 396 . 1 1 45 45 ALA HB3 H 1 1.615 0.020 . 1 . . . . 548 ALA HB . 11038 1 397 . 1 1 45 45 ALA CB C 13 17.717 0.400 . 1 . . . . 548 ALA CB . 11038 1 398 . 1 1 45 45 ALA C C 13 179.485 0.400 . 1 . . . . 548 ALA C . 11038 1 399 . 1 1 46 46 VAL N N 15 120.745 0.400 . 1 . . . . 549 VAL N . 11038 1 400 . 1 1 46 46 VAL H H 1 8.333 0.020 . 1 . . . . 549 VAL H . 11038 1 401 . 1 1 46 46 VAL CA C 13 63.358 0.400 . 1 . . . . 549 VAL CA . 11038 1 402 . 1 1 46 46 VAL HA H 1 3.091 0.020 . 1 . . . . 549 VAL HA . 11038 1 403 . 1 1 46 46 VAL CB C 13 28.887 0.400 . 1 . . . . 549 VAL CB . 11038 1 404 . 1 1 46 46 VAL HB H 1 1.447 0.020 . 1 . . . . 549 VAL HB . 11038 1 405 . 1 1 46 46 VAL HG11 H 1 0.123 0.020 . 2 . . . . 549 VAL HG1 . 11038 1 406 . 1 1 46 46 VAL HG12 H 1 0.123 0.020 . 2 . . . . 549 VAL HG1 . 11038 1 407 . 1 1 46 46 VAL HG13 H 1 0.123 0.020 . 2 . . . . 549 VAL HG1 . 11038 1 408 . 1 1 46 46 VAL HG21 H 1 -0.450 0.020 . 2 . . . . 549 VAL HG2 . 11038 1 409 . 1 1 46 46 VAL HG22 H 1 -0.450 0.020 . 2 . . . . 549 VAL HG2 . 11038 1 410 . 1 1 46 46 VAL HG23 H 1 -0.450 0.020 . 2 . . . . 549 VAL HG2 . 11038 1 411 . 1 1 46 46 VAL CG1 C 13 21.278 0.400 . 1 . . . . 549 VAL CG1 . 11038 1 412 . 1 1 46 46 VAL CG2 C 13 18.775 0.400 . 1 . . . . 549 VAL CG2 . 11038 1 413 . 1 1 46 46 VAL C C 13 179.524 0.400 . 1 . . . . 549 VAL C . 11038 1 414 . 1 1 47 47 GLU N N 15 120.370 0.400 . 1 . . . . 550 GLU N . 11038 1 415 . 1 1 47 47 GLU H H 1 9.050 0.020 . 1 . . . . 550 GLU H . 11038 1 416 . 1 1 47 47 GLU CA C 13 58.538 0.400 . 1 . . . . 550 GLU CA . 11038 1 417 . 1 1 47 47 GLU HA H 1 3.835 0.020 . 1 . . . . 550 GLU HA . 11038 1 418 . 1 1 47 47 GLU CB C 13 27.217 0.400 . 1 . . . . 550 GLU CB . 11038 1 419 . 1 1 47 47 GLU HB2 H 1 2.609 0.020 . 2 . . . . 550 GLU HB2 . 11038 1 420 . 1 1 47 47 GLU HB3 H 1 1.746 0.020 . 2 . . . . 550 GLU HB3 . 11038 1 421 . 1 1 47 47 GLU CG C 13 35.484 0.400 . 1 . . . . 550 GLU CG . 11038 1 422 . 1 1 47 47 GLU HG2 H 1 2.611 0.020 . 2 . . . . 550 GLU HG2 . 11038 1 423 . 1 1 47 47 GLU HG3 H 1 2.247 0.020 . 2 . . . . 550 GLU HG3 . 11038 1 424 . 1 1 47 47 GLU C C 13 179.074 0.400 . 1 . . . . 550 GLU C . 11038 1 425 . 1 1 48 48 HIS N N 15 113.333 0.400 . 1 . . . . 551 HIS N . 11038 1 426 . 1 1 48 48 HIS H H 1 7.533 0.020 . 1 . . . . 551 HIS H . 11038 1 427 . 1 1 48 48 HIS CA C 13 57.315 0.400 . 1 . . . . 551 HIS CA . 11038 1 428 . 1 1 48 48 HIS HA H 1 4.466 0.020 . 1 . . . . 551 HIS HA . 11038 1 429 . 1 1 48 48 HIS CB C 13 28.312 0.400 . 1 . . . . 551 HIS CB . 11038 1 430 . 1 1 48 48 HIS HB2 H 1 3.115 0.020 . 2 . . . . 551 HIS HB2 . 11038 1 431 . 1 1 48 48 HIS HB3 H 1 3.072 0.020 . 2 . . . . 551 HIS HB3 . 11038 1 432 . 1 1 48 48 HIS C C 13 176.362 0.400 . 1 . . . . 551 HIS C . 11038 1 433 . 1 1 49 49 LEU N N 15 116.683 0.400 . 1 . . . . 552 LEU N . 11038 1 434 . 1 1 49 49 LEU H H 1 8.443 0.020 . 1 . . . . 552 LEU H . 11038 1 435 . 1 1 49 49 LEU CA C 13 53.163 0.400 . 1 . . . . 552 LEU CA . 11038 1 436 . 1 1 49 49 LEU HA H 1 4.028 0.020 . 1 . . . . 552 LEU HA . 11038 1 437 . 1 1 49 49 LEU CB C 13 42.291 0.400 . 1 . . . . 552 LEU CB . 11038 1 438 . 1 1 49 49 LEU HB2 H 1 1.431 0.020 . 2 . . . . 552 LEU HB2 . 11038 1 439 . 1 1 49 49 LEU HB3 H 1 0.847 0.020 . 2 . . . . 552 LEU HB3 . 11038 1 440 . 1 1 49 49 LEU CG C 13 24.833 0.400 . 1 . . . . 552 LEU CG . 11038 1 441 . 1 1 49 49 LEU HG H 1 1.527 0.020 . 1 . . . . 552 LEU HG . 11038 1 442 . 1 1 49 49 LEU HD11 H 1 0.616 0.020 . 2 . . . . 552 LEU HD1 . 11038 1 443 . 1 1 49 49 LEU HD12 H 1 0.616 0.020 . 2 . . . . 552 LEU HD1 . 11038 1 444 . 1 1 49 49 LEU HD13 H 1 0.616 0.020 . 2 . . . . 552 LEU HD1 . 11038 1 445 . 1 1 49 49 LEU HD21 H 1 0.733 0.020 . 2 . . . . 552 LEU HD2 . 11038 1 446 . 1 1 49 49 LEU HD22 H 1 0.733 0.020 . 2 . . . . 552 LEU HD2 . 11038 1 447 . 1 1 49 49 LEU HD23 H 1 0.733 0.020 . 2 . . . . 552 LEU HD2 . 11038 1 448 . 1 1 49 49 LEU CD1 C 13 24.174 0.400 . 1 . . . . 552 LEU CD1 . 11038 1 449 . 1 1 49 49 LEU CD2 C 13 20.441 0.400 . 1 . . . . 552 LEU CD2 . 11038 1 450 . 1 1 49 49 LEU C C 13 176.887 0.400 . 1 . . . . 552 LEU C . 11038 1 451 . 1 1 50 50 GLY N N 15 111.056 0.400 . 1 . . . . 553 GLY N . 11038 1 452 . 1 1 50 50 GLY H H 1 8.245 0.020 . 1 . . . . 553 GLY H . 11038 1 453 . 1 1 50 50 GLY CA C 13 39.078 0.400 . 1 . . . . 553 GLY CA . 11038 1 454 . 1 1 50 50 GLY HA2 H 1 2.296 0.020 . 2 . . . . 553 GLY HA2 . 11038 1 455 . 1 1 50 50 GLY HA3 H 1 1.307 0.020 . 2 . . . . 553 GLY HA3 . 11038 1 456 . 1 1 50 50 GLY C C 13 173.362 0.400 . 1 . . . . 553 GLY C . 11038 1 457 . 1 1 51 51 THR N N 15 103.108 0.400 . 1 . . . . 554 THR N . 11038 1 458 . 1 1 51 51 THR H H 1 6.297 0.020 . 1 . . . . 554 THR H . 11038 1 459 . 1 1 51 51 THR CA C 13 58.511 0.400 . 1 . . . . 554 THR CA . 11038 1 460 . 1 1 51 51 THR HA H 1 4.556 0.020 . 1 . . . . 554 THR HA . 11038 1 461 . 1 1 51 51 THR CB C 13 66.586 0.400 . 1 . . . . 554 THR CB . 11038 1 462 . 1 1 51 51 THR HB H 1 4.751 0.020 . 1 . . . . 554 THR HB . 11038 1 463 . 1 1 51 51 THR HG21 H 1 1.312 0.020 . 1 . . . . 554 THR HG2 . 11038 1 464 . 1 1 51 51 THR HG22 H 1 1.312 0.020 . 1 . . . . 554 THR HG2 . 11038 1 465 . 1 1 51 51 THR HG23 H 1 1.312 0.020 . 1 . . . . 554 THR HG2 . 11038 1 466 . 1 1 51 51 THR C C 13 173.936 0.400 . 1 . . . . 554 THR C . 11038 1 467 . 1 1 52 52 GLY N N 15 108.728 0.400 . 1 . . . . 555 GLY N . 11038 1 468 . 1 1 52 52 GLY H H 1 7.600 0.020 . 1 . . . . 555 GLY H . 11038 1 469 . 1 1 52 52 GLY CA C 13 43.151 0.400 . 1 . . . . 555 GLY CA . 11038 1 470 . 1 1 52 52 GLY HA2 H 1 4.329 0.020 . 2 . . . . 555 GLY HA2 . 11038 1 471 . 1 1 52 52 GLY HA3 H 1 3.444 0.020 . 2 . . . . 555 GLY HA3 . 11038 1 472 . 1 1 52 52 GLY C C 13 175.032 0.400 . 1 . . . . 555 GLY C . 11038 1 473 . 1 1 53 53 ARG N N 15 123.398 0.400 . 1 . . . . 556 ARG N . 11038 1 474 . 1 1 53 53 ARG H H 1 7.949 0.020 . 1 . . . . 556 ARG H . 11038 1 475 . 1 1 53 53 ARG CA C 13 51.731 0.400 . 1 . . . . 556 ARG CA . 11038 1 476 . 1 1 53 53 ARG HA H 1 4.550 0.020 . 1 . . . . 556 ARG HA . 11038 1 477 . 1 1 53 53 ARG CB C 13 28.749 0.400 . 1 . . . . 556 ARG CB . 11038 1 478 . 1 1 53 53 ARG HB2 H 1 1.915 0.020 . 2 . . . . 556 ARG HB2 . 11038 1 479 . 1 1 53 53 ARG HB3 H 1 0.870 0.020 . 2 . . . . 556 ARG HB3 . 11038 1 480 . 1 1 53 53 ARG HG2 H 1 1.366 0.020 . 2 . . . . 556 ARG HG2 . 11038 1 481 . 1 1 53 53 ARG HG3 H 1 1.158 0.020 . 2 . . . . 556 ARG HG3 . 11038 1 482 . 1 1 53 53 ARG HD2 H 1 2.959 0.020 . 2 . . . . 556 ARG HD2 . 11038 1 483 . 1 1 53 53 ARG HD3 H 1 2.959 0.020 . 2 . . . . 556 ARG HD3 . 11038 1 484 . 1 1 53 53 ARG C C 13 176.580 0.400 . 1 . . . . 556 ARG C . 11038 1 485 . 1 1 54 54 TRP N N 15 121.010 0.400 . 1 . . . . 557 TRP N . 11038 1 486 . 1 1 54 54 TRP H H 1 7.211 0.020 . 1 . . . . 557 TRP H . 11038 1 487 . 1 1 54 54 TRP CA C 13 57.985 0.400 . 1 . . . . 557 TRP CA . 11038 1 488 . 1 1 54 54 TRP HA H 1 3.984 0.020 . 1 . . . . 557 TRP HA . 11038 1 489 . 1 1 54 54 TRP CB C 13 27.002 0.400 . 1 . . . . 557 TRP CB . 11038 1 490 . 1 1 54 54 TRP HB2 H 1 3.615 0.020 . 2 . . . . 557 TRP HB2 . 11038 1 491 . 1 1 54 54 TRP HB3 H 1 2.980 0.020 . 2 . . . . 557 TRP HB3 . 11038 1 492 . 1 1 54 54 TRP NE1 N 15 119.865 0.400 . 1 . . . . 557 TRP NE1 . 11038 1 493 . 1 1 54 54 TRP HD1 H 1 7.469 0.020 . 1 . . . . 557 TRP HD1 . 11038 1 494 . 1 1 54 54 TRP HE1 H 1 10.151 0.020 . 1 . . . . 557 TRP HE1 . 11038 1 495 . 1 1 54 54 TRP HZ2 H 1 7.261 0.020 . 1 . . . . 557 TRP HZ2 . 11038 1 496 . 1 1 54 54 TRP C C 13 178.653 0.400 . 1 . . . . 557 TRP C . 11038 1 497 . 1 1 55 55 ARG N N 15 118.903 0.400 . 1 . . . . 558 ARG N . 11038 1 498 . 1 1 55 55 ARG H H 1 8.642 0.020 . 1 . . . . 558 ARG H . 11038 1 499 . 1 1 55 55 ARG CA C 13 58.009 0.400 . 1 . . . . 558 ARG CA . 11038 1 500 . 1 1 55 55 ARG HA H 1 3.834 0.020 . 1 . . . . 558 ARG HA . 11038 1 501 . 1 1 55 55 ARG CB C 13 27.083 0.400 . 1 . . . . 558 ARG CB . 11038 1 502 . 1 1 55 55 ARG HB2 H 1 1.552 0.020 . 2 . . . . 558 ARG HB2 . 11038 1 503 . 1 1 55 55 ARG HB3 H 1 1.458 0.020 . 2 . . . . 558 ARG HB3 . 11038 1 504 . 1 1 55 55 ARG CG C 13 26.105 0.400 . 1 . . . . 558 ARG CG . 11038 1 505 . 1 1 55 55 ARG HG2 H 1 1.160 0.020 . 2 . . . . 558 ARG HG2 . 11038 1 506 . 1 1 55 55 ARG HG3 H 1 0.951 0.020 . 2 . . . . 558 ARG HG3 . 11038 1 507 . 1 1 55 55 ARG HD2 H 1 2.846 0.020 . 2 . . . . 558 ARG HD2 . 11038 1 508 . 1 1 55 55 ARG HD3 H 1 2.846 0.020 . 2 . . . . 558 ARG HD3 . 11038 1 509 . 1 1 55 55 ARG C C 13 178.587 0.400 . 1 . . . . 558 ARG C . 11038 1 510 . 1 1 56 56 ASP N N 15 120.103 0.400 . 1 . . . . 559 ASP N . 11038 1 511 . 1 1 56 56 ASP H H 1 7.398 0.020 . 1 . . . . 559 ASP H . 11038 1 512 . 1 1 56 56 ASP CA C 13 55.034 0.400 . 1 . . . . 559 ASP CA . 11038 1 513 . 1 1 56 56 ASP HA H 1 4.519 0.020 . 1 . . . . 559 ASP HA . 11038 1 514 . 1 1 56 56 ASP CB C 13 38.119 0.400 . 1 . . . . 559 ASP CB . 11038 1 515 . 1 1 56 56 ASP HB2 H 1 2.687 0.020 . 2 . . . . 559 ASP HB2 . 11038 1 516 . 1 1 56 56 ASP HB3 H 1 2.600 0.020 . 2 . . . . 559 ASP HB3 . 11038 1 517 . 1 1 56 56 ASP C C 13 179.005 0.400 . 1 . . . . 559 ASP C . 11038 1 518 . 1 1 57 57 VAL N N 15 123.671 0.400 . 1 . . . . 560 VAL N . 11038 1 519 . 1 1 57 57 VAL H H 1 8.048 0.020 . 1 . . . . 560 VAL H . 11038 1 520 . 1 1 57 57 VAL CA C 13 64.949 0.400 . 1 . . . . 560 VAL CA . 11038 1 521 . 1 1 57 57 VAL HA H 1 3.317 0.020 . 1 . . . . 560 VAL HA . 11038 1 522 . 1 1 57 57 VAL CB C 13 29.517 0.400 . 1 . . . . 560 VAL CB . 11038 1 523 . 1 1 57 57 VAL HB H 1 2.277 0.020 . 1 . . . . 560 VAL HB . 11038 1 524 . 1 1 57 57 VAL HG11 H 1 0.502 0.020 . 2 . . . . 560 VAL HG1 . 11038 1 525 . 1 1 57 57 VAL HG12 H 1 0.502 0.020 . 2 . . . . 560 VAL HG1 . 11038 1 526 . 1 1 57 57 VAL HG13 H 1 0.502 0.020 . 2 . . . . 560 VAL HG1 . 11038 1 527 . 1 1 57 57 VAL HG21 H 1 1.055 0.020 . 2 . . . . 560 VAL HG2 . 11038 1 528 . 1 1 57 57 VAL HG22 H 1 1.055 0.020 . 2 . . . . 560 VAL HG2 . 11038 1 529 . 1 1 57 57 VAL HG23 H 1 1.055 0.020 . 2 . . . . 560 VAL HG2 . 11038 1 530 . 1 1 57 57 VAL CG1 C 13 21.115 0.400 . 1 . . . . 560 VAL CG1 . 11038 1 531 . 1 1 57 57 VAL CG2 C 13 19.401 0.400 . 1 . . . . 560 VAL CG2 . 11038 1 532 . 1 1 57 57 VAL C C 13 177.244 0.400 . 1 . . . . 560 VAL C . 11038 1 533 . 1 1 58 58 LYS N N 15 120.102 0.400 . 1 . . . . 561 LYS N . 11038 1 534 . 1 1 58 58 LYS H H 1 8.042 0.020 . 1 . . . . 561 LYS H . 11038 1 535 . 1 1 58 58 LYS CA C 13 58.001 0.400 . 1 . . . . 561 LYS CA . 11038 1 536 . 1 1 58 58 LYS HA H 1 3.954 0.020 . 1 . . . . 561 LYS HA . 11038 1 537 . 1 1 58 58 LYS CB C 13 29.532 0.400 . 1 . . . . 561 LYS CB . 11038 1 538 . 1 1 58 58 LYS HB2 H 1 2.338 0.020 . 2 . . . . 561 LYS HB2 . 11038 1 539 . 1 1 58 58 LYS HB3 H 1 1.739 0.020 . 2 . . . . 561 LYS HB3 . 11038 1 540 . 1 1 58 58 LYS C C 13 177.877 0.400 . 1 . . . . 561 LYS C . 11038 1 541 . 1 1 59 59 PHE N N 15 117.760 0.400 . 1 . . . . 562 PHE N . 11038 1 542 . 1 1 59 59 PHE H H 1 7.867 0.020 . 1 . . . . 562 PHE H . 11038 1 543 . 1 1 59 59 PHE CA C 13 58.769 0.400 . 1 . . . . 562 PHE CA . 11038 1 544 . 1 1 59 59 PHE HA H 1 4.233 0.020 . 1 . . . . 562 PHE HA . 11038 1 545 . 1 1 59 59 PHE CB C 13 36.972 0.400 . 1 . . . . 562 PHE CB . 11038 1 546 . 1 1 59 59 PHE HB2 H 1 3.127 0.020 . 2 . . . . 562 PHE HB2 . 11038 1 547 . 1 1 59 59 PHE HB3 H 1 3.127 0.020 . 2 . . . . 562 PHE HB3 . 11038 1 548 . 1 1 59 59 PHE HD1 H 1 7.244 0.020 . 1 . . . . 562 PHE HD1 . 11038 1 549 . 1 1 59 59 PHE HD2 H 1 7.244 0.020 . 1 . . . . 562 PHE HD2 . 11038 1 550 . 1 1 59 59 PHE C C 13 176.395 0.400 . 1 . . . . 562 PHE C . 11038 1 551 . 1 1 60 60 ARG N N 15 116.718 0.400 . 1 . . . . 563 ARG N . 11038 1 552 . 1 1 60 60 ARG H H 1 8.132 0.020 . 1 . . . . 563 ARG H . 11038 1 553 . 1 1 60 60 ARG CA C 13 56.466 0.400 . 1 . . . . 563 ARG CA . 11038 1 554 . 1 1 60 60 ARG HA H 1 3.913 0.020 . 1 . . . . 563 ARG HA . 11038 1 555 . 1 1 60 60 ARG CB C 13 28.502 0.400 . 1 . . . . 563 ARG CB . 11038 1 556 . 1 1 60 60 ARG HB2 H 1 1.873 0.020 . 2 . . . . 563 ARG HB2 . 11038 1 557 . 1 1 60 60 ARG HB3 H 1 1.640 0.020 . 2 . . . . 563 ARG HB3 . 11038 1 558 . 1 1 60 60 ARG HG2 H 1 1.408 0.020 . 2 . . . . 563 ARG HG2 . 11038 1 559 . 1 1 60 60 ARG HG3 H 1 1.408 0.020 . 2 . . . . 563 ARG HG3 . 11038 1 560 . 1 1 60 60 ARG C C 13 177.595 0.400 . 1 . . . . 563 ARG C . 11038 1 561 . 1 1 61 61 ALA N N 15 116.399 0.400 . 1 . . . . 564 ALA N . 11038 1 562 . 1 1 61 61 ALA H H 1 7.729 0.020 . 1 . . . . 564 ALA H . 11038 1 563 . 1 1 61 61 ALA CA C 13 50.289 0.400 . 1 . . . . 564 ALA CA . 11038 1 564 . 1 1 61 61 ALA HA H 1 4.479 0.020 . 1 . . . . 564 ALA HA . 11038 1 565 . 1 1 61 61 ALA HB1 H 1 1.121 0.020 . 1 . . . . 564 ALA HB . 11038 1 566 . 1 1 61 61 ALA HB2 H 1 1.121 0.020 . 1 . . . . 564 ALA HB . 11038 1 567 . 1 1 61 61 ALA HB3 H 1 1.121 0.020 . 1 . . . . 564 ALA HB . 11038 1 568 . 1 1 61 61 ALA CB C 13 20.941 0.400 . 1 . . . . 564 ALA CB . 11038 1 569 . 1 1 61 61 ALA C C 13 176.473 0.400 . 1 . . . . 564 ALA C . 11038 1 570 . 1 1 62 62 PHE N N 15 115.594 0.400 . 1 . . . . 565 PHE N . 11038 1 571 . 1 1 62 62 PHE H H 1 8.200 0.020 . 1 . . . . 565 PHE H . 11038 1 572 . 1 1 62 62 PHE CA C 13 54.013 0.400 . 1 . . . . 565 PHE CA . 11038 1 573 . 1 1 62 62 PHE HA H 1 4.749 0.020 . 1 . . . . 565 PHE HA . 11038 1 574 . 1 1 62 62 PHE CB C 13 39.281 0.400 . 1 . . . . 565 PHE CB . 11038 1 575 . 1 1 62 62 PHE HB2 H 1 3.477 0.020 . 2 . . . . 565 PHE HB2 . 11038 1 576 . 1 1 62 62 PHE HB3 H 1 3.477 0.020 . 2 . . . . 565 PHE HB3 . 11038 1 577 . 1 1 62 62 PHE HD1 H 1 7.076 0.020 . 1 . . . . 565 PHE HD1 . 11038 1 578 . 1 1 62 62 PHE HD2 H 1 7.076 0.020 . 1 . . . . 565 PHE HD2 . 11038 1 579 . 1 1 62 62 PHE C C 13 177.086 0.400 . 1 . . . . 565 PHE C . 11038 1 580 . 1 1 63 63 GLU N N 15 126.419 0.400 . 1 . . . . 566 GLU N . 11038 1 581 . 1 1 63 63 GLU H H 1 8.279 0.020 . 1 . . . . 566 GLU H . 11038 1 582 . 1 1 63 63 GLU CA C 13 58.421 0.400 . 1 . . . . 566 GLU CA . 11038 1 583 . 1 1 63 63 GLU HA H 1 3.754 0.020 . 1 . . . . 566 GLU HA . 11038 1 584 . 1 1 63 63 GLU CB C 13 27.024 0.400 . 1 . . . . 566 GLU CB . 11038 1 585 . 1 1 63 63 GLU HB2 H 1 2.343 0.020 . 2 . . . . 566 GLU HB2 . 11038 1 586 . 1 1 63 63 GLU HB3 H 1 1.680 0.020 . 2 . . . . 566 GLU HB3 . 11038 1 587 . 1 1 63 63 GLU CG C 13 33.090 0.400 . 1 . . . . 566 GLU CG . 11038 1 588 . 1 1 63 63 GLU HG2 H 1 2.129 0.020 . 2 . . . . 566 GLU HG2 . 11038 1 589 . 1 1 63 63 GLU HG3 H 1 2.067 0.020 . 2 . . . . 566 GLU HG3 . 11038 1 590 . 1 1 63 63 GLU C C 13 177.407 0.400 . 1 . . . . 566 GLU C . 11038 1 591 . 1 1 64 64 ASN N N 15 113.914 0.400 . 1 . . . . 567 ASN N . 11038 1 592 . 1 1 64 64 ASN H H 1 8.630 0.020 . 1 . . . . 567 ASN H . 11038 1 593 . 1 1 64 64 ASN CA C 13 50.606 0.400 . 1 . . . . 567 ASN CA . 11038 1 594 . 1 1 64 64 ASN HA H 1 4.661 0.020 . 1 . . . . 567 ASN HA . 11038 1 595 . 1 1 64 64 ASN CB C 13 36.308 0.400 . 1 . . . . 567 ASN CB . 11038 1 596 . 1 1 64 64 ASN HB2 H 1 2.880 0.020 . 2 . . . . 567 ASN HB2 . 11038 1 597 . 1 1 64 64 ASN HB3 H 1 2.622 0.020 . 2 . . . . 567 ASN HB3 . 11038 1 598 . 1 1 64 64 ASN C C 13 174.049 0.400 . 1 . . . . 567 ASN C . 11038 1 599 . 1 1 65 65 VAL N N 15 119.656 0.400 . 1 . . . . 568 VAL N . 11038 1 600 . 1 1 65 65 VAL H H 1 7.035 0.020 . 1 . . . . 568 VAL H . 11038 1 601 . 1 1 65 65 VAL CA C 13 59.334 0.400 . 1 . . . . 568 VAL CA . 11038 1 602 . 1 1 65 65 VAL HA H 1 4.029 0.020 . 1 . . . . 568 VAL HA . 11038 1 603 . 1 1 65 65 VAL CB C 13 28.976 0.400 . 1 . . . . 568 VAL CB . 11038 1 604 . 1 1 65 65 VAL HB H 1 2.032 0.020 . 1 . . . . 568 VAL HB . 11038 1 605 . 1 1 65 65 VAL HG11 H 1 0.579 0.020 . 2 . . . . 568 VAL HG1 . 11038 1 606 . 1 1 65 65 VAL HG12 H 1 0.579 0.020 . 2 . . . . 568 VAL HG1 . 11038 1 607 . 1 1 65 65 VAL HG13 H 1 0.579 0.020 . 2 . . . . 568 VAL HG1 . 11038 1 608 . 1 1 65 65 VAL HG21 H 1 0.870 0.020 . 2 . . . . 568 VAL HG2 . 11038 1 609 . 1 1 65 65 VAL HG22 H 1 0.870 0.020 . 2 . . . . 568 VAL HG2 . 11038 1 610 . 1 1 65 65 VAL HG23 H 1 0.870 0.020 . 2 . . . . 568 VAL HG2 . 11038 1 611 . 1 1 65 65 VAL CG1 C 13 20.172 0.400 . 1 . . . . 568 VAL CG1 . 11038 1 612 . 1 1 65 65 VAL CG2 C 13 17.849 0.400 . 1 . . . . 568 VAL CG2 . 11038 1 613 . 1 1 67 67 HIS H H 1 6.903 0.020 . 1 . . . . 570 HIS H . 11038 1 614 . 1 1 67 67 HIS CA C 13 54.320 0.400 . 1 . . . . 570 HIS CA . 11038 1 615 . 1 1 67 67 HIS HA H 1 4.520 0.020 . 1 . . . . 570 HIS HA . 11038 1 616 . 1 1 67 67 HIS CB C 13 27.436 0.400 . 1 . . . . 570 HIS CB . 11038 1 617 . 1 1 67 67 HIS HB2 H 1 3.306 0.020 . 2 . . . . 570 HIS HB2 . 11038 1 618 . 1 1 67 67 HIS HB3 H 1 2.880 0.020 . 2 . . . . 570 HIS HB3 . 11038 1 619 . 1 1 67 67 HIS C C 13 174.439 0.400 . 1 . . . . 570 HIS C . 11038 1 620 . 1 1 68 68 ARG N N 15 119.296 0.400 . 1 . . . . 571 ARG N . 11038 1 621 . 1 1 68 68 ARG H H 1 6.910 0.020 . 1 . . . . 571 ARG H . 11038 1 622 . 1 1 68 68 ARG CA C 13 50.715 0.400 . 1 . . . . 571 ARG CA . 11038 1 623 . 1 1 68 68 ARG CB C 13 27.457 0.400 . 1 . . . . 571 ARG CB . 11038 1 624 . 1 1 68 68 ARG HB2 H 1 27.530 0.020 . 2 . . . . 571 ARG HB2 . 11038 1 625 . 1 1 68 68 ARG HB3 H 1 27.530 0.020 . 2 . . . . 571 ARG HB3 . 11038 1 626 . 1 1 68 68 ARG C C 13 174.864 0.400 . 1 . . . . 571 ARG C . 11038 1 627 . 1 1 69 69 THR N N 15 115.065 0.400 . 1 . . . . 572 THR N . 11038 1 628 . 1 1 69 69 THR H H 1 8.663 0.020 . 1 . . . . 572 THR H . 11038 1 629 . 1 1 69 69 THR CA C 13 58.094 0.400 . 1 . . . . 572 THR CA . 11038 1 630 . 1 1 69 69 THR HA H 1 4.614 0.020 . 1 . . . . 572 THR HA . 11038 1 631 . 1 1 69 69 THR CB C 13 69.640 0.400 . 1 . . . . 572 THR CB . 11038 1 632 . 1 1 69 69 THR HB H 1 4.434 0.020 . 1 . . . . 572 THR HB . 11038 1 633 . 1 1 69 69 THR HG21 H 1 1.179 0.020 . 1 . . . . 572 THR HG2 . 11038 1 634 . 1 1 69 69 THR HG22 H 1 1.179 0.020 . 1 . . . . 572 THR HG2 . 11038 1 635 . 1 1 69 69 THR HG23 H 1 1.179 0.020 . 1 . . . . 572 THR HG2 . 11038 1 636 . 1 1 69 69 THR C C 13 176.181 0.400 . 1 . . . . 572 THR C . 11038 1 637 . 1 1 70 70 TYR N N 15 118.010 0.400 . 1 . . . . 573 TYR N . 11038 1 638 . 1 1 70 70 TYR H H 1 8.872 0.020 . 1 . . . . 573 TYR H . 11038 1 639 . 1 1 70 70 TYR CA C 13 58.633 0.400 . 1 . . . . 573 TYR CA . 11038 1 640 . 1 1 70 70 TYR HA H 1 4.154 0.020 . 1 . . . . 573 TYR HA . 11038 1 641 . 1 1 70 70 TYR CB C 13 34.660 0.400 . 1 . . . . 573 TYR CB . 11038 1 642 . 1 1 70 70 TYR HB2 H 1 3.007 0.020 . 2 . . . . 573 TYR HB2 . 11038 1 643 . 1 1 70 70 TYR HB3 H 1 2.838 0.020 . 2 . . . . 573 TYR HB3 . 11038 1 644 . 1 1 70 70 TYR C C 13 176.198 0.400 . 1 . . . . 573 TYR C . 11038 1 645 . 1 1 71 71 VAL N N 15 120.068 0.400 . 1 . . . . 574 VAL N . 11038 1 646 . 1 1 71 71 VAL H H 1 6.338 0.020 . 1 . . . . 574 VAL H . 11038 1 647 . 1 1 71 71 VAL CA C 13 63.028 0.400 . 1 . . . . 574 VAL CA . 11038 1 648 . 1 1 71 71 VAL HA H 1 3.161 0.020 . 1 . . . . 574 VAL HA . 11038 1 649 . 1 1 71 71 VAL CB C 13 29.637 0.400 . 1 . . . . 574 VAL CB . 11038 1 650 . 1 1 71 71 VAL HB H 1 1.475 0.020 . 1 . . . . 574 VAL HB . 11038 1 651 . 1 1 71 71 VAL HG11 H 1 0.390 0.020 . 2 . . . . 574 VAL HG1 . 11038 1 652 . 1 1 71 71 VAL HG12 H 1 0.390 0.020 . 2 . . . . 574 VAL HG1 . 11038 1 653 . 1 1 71 71 VAL HG13 H 1 0.390 0.020 . 2 . . . . 574 VAL HG1 . 11038 1 654 . 1 1 71 71 VAL HG21 H 1 0.639 0.020 . 2 . . . . 574 VAL HG2 . 11038 1 655 . 1 1 71 71 VAL HG22 H 1 0.639 0.020 . 2 . . . . 574 VAL HG2 . 11038 1 656 . 1 1 71 71 VAL HG23 H 1 0.639 0.020 . 2 . . . . 574 VAL HG2 . 11038 1 657 . 1 1 71 71 VAL CG1 C 13 19.559 0.400 . 1 . . . . 574 VAL CG1 . 11038 1 658 . 1 1 71 71 VAL CG2 C 13 19.169 0.400 . 1 . . . . 574 VAL CG2 . 11038 1 659 . 1 1 71 71 VAL C C 13 176.956 0.400 . 1 . . . . 574 VAL C . 11038 1 660 . 1 1 72 72 ASP N N 15 120.210 0.400 . 1 . . . . 575 ASP N . 11038 1 661 . 1 1 72 72 ASP H H 1 7.230 0.020 . 1 . . . . 575 ASP H . 11038 1 662 . 1 1 72 72 ASP CA C 13 55.023 0.400 . 1 . . . . 575 ASP CA . 11038 1 663 . 1 1 72 72 ASP HA H 1 4.175 0.020 . 1 . . . . 575 ASP HA . 11038 1 664 . 1 1 72 72 ASP CB C 13 39.189 0.400 . 1 . . . . 575 ASP CB . 11038 1 665 . 1 1 72 72 ASP HB2 H 1 2.877 0.020 . 2 . . . . 575 ASP HB2 . 11038 1 666 . 1 1 72 72 ASP HB3 H 1 2.630 0.020 . 2 . . . . 575 ASP HB3 . 11038 1 667 . 1 1 72 72 ASP C C 13 179.455 0.400 . 1 . . . . 575 ASP C . 11038 1 668 . 1 1 73 73 LEU N N 15 118.103 0.400 . 1 . . . . 576 LEU N . 11038 1 669 . 1 1 73 73 LEU H H 1 7.543 0.020 . 1 . . . . 576 LEU H . 11038 1 670 . 1 1 73 73 LEU CA C 13 55.520 0.400 . 1 . . . . 576 LEU CA . 11038 1 671 . 1 1 73 73 LEU HA H 1 3.769 0.020 . 1 . . . . 576 LEU HA . 11038 1 672 . 1 1 73 73 LEU CB C 13 38.239 0.400 . 1 . . . . 576 LEU CB . 11038 1 673 . 1 1 73 73 LEU HB2 H 1 2.014 0.020 . 2 . . . . 576 LEU HB2 . 11038 1 674 . 1 1 73 73 LEU HB3 H 1 1.332 0.020 . 2 . . . . 576 LEU HB3 . 11038 1 675 . 1 1 73 73 LEU CG C 13 23.601 0.400 . 1 . . . . 576 LEU CG . 11038 1 676 . 1 1 73 73 LEU HG H 1 1.874 0.020 . 1 . . . . 576 LEU HG . 11038 1 677 . 1 1 73 73 LEU HD11 H 1 0.739 0.020 . 2 . . . . 576 LEU HD1 . 11038 1 678 . 1 1 73 73 LEU HD12 H 1 0.739 0.020 . 2 . . . . 576 LEU HD1 . 11038 1 679 . 1 1 73 73 LEU HD13 H 1 0.739 0.020 . 2 . . . . 576 LEU HD1 . 11038 1 680 . 1 1 73 73 LEU HD21 H 1 0.239 0.020 . 2 . . . . 576 LEU HD2 . 11038 1 681 . 1 1 73 73 LEU HD22 H 1 0.239 0.020 . 2 . . . . 576 LEU HD2 . 11038 1 682 . 1 1 73 73 LEU HD23 H 1 0.239 0.020 . 2 . . . . 576 LEU HD2 . 11038 1 683 . 1 1 73 73 LEU CD1 C 13 24.264 0.400 . 1 . . . . 576 LEU CD1 . 11038 1 684 . 1 1 73 73 LEU CD2 C 13 19.556 0.400 . 1 . . . . 576 LEU CD2 . 11038 1 685 . 1 1 73 73 LEU C C 13 176.171 0.400 . 1 . . . . 576 LEU C . 11038 1 686 . 1 1 74 74 LYS N N 15 121.200 0.400 . 1 . . . . 577 LYS N . 11038 1 687 . 1 1 74 74 LYS H H 1 7.003 0.020 . 1 . . . . 577 LYS H . 11038 1 688 . 1 1 74 74 LYS CA C 13 56.720 0.400 . 1 . . . . 577 LYS CA . 11038 1 689 . 1 1 74 74 LYS HA H 1 1.802 0.020 . 1 . . . . 577 LYS HA . 11038 1 690 . 1 1 74 74 LYS CB C 13 29.260 0.400 . 1 . . . . 577 LYS CB . 11038 1 691 . 1 1 74 74 LYS HB2 H 1 1.200 0.020 . 2 . . . . 577 LYS HB2 . 11038 1 692 . 1 1 74 74 LYS HB3 H 1 0.349 0.020 . 2 . . . . 577 LYS HB3 . 11038 1 693 . 1 1 74 74 LYS C C 13 178.529 0.400 . 1 . . . . 577 LYS C . 11038 1 694 . 1 1 75 75 ASP N N 15 118.566 0.400 . 1 . . . . 578 ASP N . 11038 1 695 . 1 1 75 75 ASP H H 1 8.053 0.020 . 1 . . . . 578 ASP H . 11038 1 696 . 1 1 75 75 ASP CA C 13 54.936 0.400 . 1 . . . . 578 ASP CA . 11038 1 697 . 1 1 75 75 ASP HA H 1 4.165 0.020 . 1 . . . . 578 ASP HA . 11038 1 698 . 1 1 75 75 ASP CB C 13 38.256 0.400 . 1 . . . . 578 ASP CB . 11038 1 699 . 1 1 75 75 ASP HB2 H 1 2.527 0.020 . 2 . . . . 578 ASP HB2 . 11038 1 700 . 1 1 75 75 ASP HB3 H 1 2.440 0.020 . 2 . . . . 578 ASP HB3 . 11038 1 701 . 1 1 75 75 ASP C C 13 178.953 0.400 . 1 . . . . 578 ASP C . 11038 1 702 . 1 1 76 76 LYS N N 15 120.825 0.400 . 1 . . . . 579 LYS N . 11038 1 703 . 1 1 76 76 LYS H H 1 7.916 0.020 . 1 . . . . 579 LYS H . 11038 1 704 . 1 1 76 76 LYS CA C 13 54.560 0.400 . 1 . . . . 579 LYS CA . 11038 1 705 . 1 1 76 76 LYS HA H 1 3.951 0.020 . 1 . . . . 579 LYS HA . 11038 1 706 . 1 1 76 76 LYS CB C 13 28.635 0.400 . 1 . . . . 579 LYS CB . 11038 1 707 . 1 1 76 76 LYS HB2 H 1 1.508 0.020 . 2 . . . . 579 LYS HB2 . 11038 1 708 . 1 1 76 76 LYS HB3 H 1 1.320 0.020 . 2 . . . . 579 LYS HB3 . 11038 1 709 . 1 1 76 76 LYS C C 13 178.529 0.400 . 1 . . . . 579 LYS C . 11038 1 710 . 1 1 77 77 TRP N N 15 120.997 0.400 . 1 . . . . 580 TRP N . 11038 1 711 . 1 1 77 77 TRP H H 1 8.344 0.020 . 1 . . . . 580 TRP H . 11038 1 712 . 1 1 77 77 TRP CA C 13 58.735 0.400 . 1 . . . . 580 TRP CA . 11038 1 713 . 1 1 77 77 TRP HA H 1 4.088 0.020 . 1 . . . . 580 TRP HA . 11038 1 714 . 1 1 77 77 TRP CB C 13 28.031 0.400 . 1 . . . . 580 TRP CB . 11038 1 715 . 1 1 77 77 TRP HB2 H 1 3.227 0.020 . 2 . . . . 580 TRP HB2 . 11038 1 716 . 1 1 77 77 TRP HB3 H 1 3.227 0.020 . 2 . . . . 580 TRP HB3 . 11038 1 717 . 1 1 77 77 TRP NE1 N 15 130.411 0.400 . 1 . . . . 580 TRP NE1 . 11038 1 718 . 1 1 77 77 TRP HD1 H 1 7.312 0.020 . 1 . . . . 580 TRP HD1 . 11038 1 719 . 1 1 77 77 TRP HE1 H 1 10.351 0.020 . 1 . . . . 580 TRP HE1 . 11038 1 720 . 1 1 77 77 TRP C C 13 176.701 0.400 . 1 . . . . 580 TRP C . 11038 1 721 . 1 1 78 78 LYS N N 15 116.103 0.400 . 1 . . . . 581 LYS N . 11038 1 722 . 1 1 78 78 LYS H H 1 7.712 0.020 . 1 . . . . 581 LYS H . 11038 1 723 . 1 1 78 78 LYS CA C 13 58.040 0.400 . 1 . . . . 581 LYS CA . 11038 1 724 . 1 1 78 78 LYS HA H 1 3.718 0.020 . 1 . . . . 581 LYS HA . 11038 1 725 . 1 1 78 78 LYS CB C 13 29.650 0.400 . 1 . . . . 581 LYS CB . 11038 1 726 . 1 1 78 78 LYS HB2 H 1 1.928 0.020 . 2 . . . . 581 LYS HB2 . 11038 1 727 . 1 1 78 78 LYS HB3 H 1 1.866 0.020 . 2 . . . . 581 LYS HB3 . 11038 1 728 . 1 1 78 78 LYS HG2 H 1 1.376 0.020 . 2 . . . . 581 LYS HG2 . 11038 1 729 . 1 1 78 78 LYS HG3 H 1 1.376 0.020 . 2 . . . . 581 LYS HG3 . 11038 1 730 . 1 1 78 78 LYS HD2 H 1 1.657 0.020 . 2 . . . . 581 LYS HD2 . 11038 1 731 . 1 1 78 78 LYS HD3 H 1 1.616 0.020 . 2 . . . . 581 LYS HD3 . 11038 1 732 . 1 1 78 78 LYS C C 13 180.218 0.400 . 1 . . . . 581 LYS C . 11038 1 733 . 1 1 79 79 THR N N 15 113.984 0.400 . 1 . . . . 582 THR N . 11038 1 734 . 1 1 79 79 THR H H 1 7.867 0.020 . 1 . . . . 582 THR H . 11038 1 735 . 1 1 79 79 THR CA C 13 63.808 0.400 . 1 . . . . 582 THR CA . 11038 1 736 . 1 1 79 79 THR HA H 1 4.027 0.020 . 1 . . . . 582 THR HA . 11038 1 737 . 1 1 79 79 THR CB C 13 66.407 0.400 . 1 . . . . 582 THR CB . 11038 1 738 . 1 1 79 79 THR HB H 1 4.205 0.020 . 1 . . . . 582 THR HB . 11038 1 739 . 1 1 79 79 THR HG21 H 1 1.189 0.020 . 1 . . . . 582 THR HG2 . 11038 1 740 . 1 1 79 79 THR HG22 H 1 1.189 0.020 . 1 . . . . 582 THR HG2 . 11038 1 741 . 1 1 79 79 THR HG23 H 1 1.189 0.020 . 1 . . . . 582 THR HG2 . 11038 1 742 . 1 1 79 79 THR C C 13 177.337 0.400 . 1 . . . . 582 THR C . 11038 1 743 . 1 1 80 80 LEU N N 15 126.891 0.400 . 1 . . . . 583 LEU N . 11038 1 744 . 1 1 80 80 LEU H H 1 8.404 0.020 . 1 . . . . 583 LEU H . 11038 1 745 . 1 1 80 80 LEU CA C 13 55.937 0.400 . 1 . . . . 583 LEU CA . 11038 1 746 . 1 1 80 80 LEU HA H 1 3.747 0.020 . 1 . . . . 583 LEU HA . 11038 1 747 . 1 1 80 80 LEU CB C 13 39.696 0.400 . 1 . . . . 583 LEU CB . 11038 1 748 . 1 1 80 80 LEU HB2 H 1 0.861 0.020 . 2 . . . . 583 LEU HB2 . 11038 1 749 . 1 1 80 80 LEU HB3 H 1 1.736 0.020 . 2 . . . . 583 LEU HB3 . 11038 1 750 . 1 1 80 80 LEU CG C 13 24.486 0.400 . 1 . . . . 583 LEU CG . 11038 1 751 . 1 1 80 80 LEU HG H 1 1.542 0.020 . 1 . . . . 583 LEU HG . 11038 1 752 . 1 1 80 80 LEU HD11 H 1 0.647 0.020 . 2 . . . . 583 LEU HD1 . 11038 1 753 . 1 1 80 80 LEU HD12 H 1 0.647 0.020 . 2 . . . . 583 LEU HD1 . 11038 1 754 . 1 1 80 80 LEU HD13 H 1 0.647 0.020 . 2 . . . . 583 LEU HD1 . 11038 1 755 . 1 1 80 80 LEU CD1 C 13 21.150 0.400 . 1 . . . . 583 LEU CD1 . 11038 1 756 . 1 1 80 80 LEU C C 13 178.047 0.400 . 1 . . . . 583 LEU C . 11038 1 757 . 1 1 81 81 VAL N N 15 119.969 0.400 . 1 . . . . 584 VAL N . 11038 1 758 . 1 1 81 81 VAL H H 1 8.065 0.020 . 1 . . . . 584 VAL H . 11038 1 759 . 1 1 81 81 VAL CA C 13 64.572 0.400 . 1 . . . . 584 VAL CA . 11038 1 760 . 1 1 81 81 VAL HA H 1 2.942 0.020 . 1 . . . . 584 VAL HA . 11038 1 761 . 1 1 81 81 VAL CB C 13 29.296 0.400 . 1 . . . . 584 VAL CB . 11038 1 762 . 1 1 81 81 VAL HB H 1 1.766 0.020 . 1 . . . . 584 VAL HB . 11038 1 763 . 1 1 81 81 VAL HG11 H 1 0.205 0.020 . 2 . . . . 584 VAL HG1 . 11038 1 764 . 1 1 81 81 VAL HG12 H 1 0.205 0.020 . 2 . . . . 584 VAL HG1 . 11038 1 765 . 1 1 81 81 VAL HG13 H 1 0.205 0.020 . 2 . . . . 584 VAL HG1 . 11038 1 766 . 1 1 81 81 VAL HG21 H 1 0.693 0.020 . 2 . . . . 584 VAL HG2 . 11038 1 767 . 1 1 81 81 VAL HG22 H 1 0.693 0.020 . 2 . . . . 584 VAL HG2 . 11038 1 768 . 1 1 81 81 VAL HG23 H 1 0.693 0.020 . 2 . . . . 584 VAL HG2 . 11038 1 769 . 1 1 81 81 VAL CG1 C 13 20.592 0.400 . 1 . . . . 584 VAL CG1 . 11038 1 770 . 1 1 81 81 VAL CG2 C 13 19.192 0.400 . 1 . . . . 584 VAL CG2 . 11038 1 771 . 1 1 81 81 VAL C C 13 178.735 0.400 . 1 . . . . 584 VAL C . 11038 1 772 . 1 1 82 82 HIS N N 15 119.118 0.400 . 1 . . . . 585 HIS N . 11038 1 773 . 1 1 82 82 HIS H H 1 7.642 0.020 . 1 . . . . 585 HIS H . 11038 1 774 . 1 1 82 82 HIS CA C 13 57.932 0.400 . 1 . . . . 585 HIS CA . 11038 1 775 . 1 1 82 82 HIS HA H 1 4.164 0.020 . 1 . . . . 585 HIS HA . 11038 1 776 . 1 1 82 82 HIS CB C 13 27.546 0.400 . 1 . . . . 585 HIS CB . 11038 1 777 . 1 1 82 82 HIS HB2 H 1 3.201 0.020 . 2 . . . . 585 HIS HB2 . 11038 1 778 . 1 1 82 82 HIS HB3 H 1 3.109 0.020 . 2 . . . . 585 HIS HB3 . 11038 1 779 . 1 1 82 82 HIS C C 13 177.709 0.400 . 1 . . . . 585 HIS C . 11038 1 780 . 1 1 83 83 THR N N 15 116.181 0.400 . 1 . . . . 586 THR N . 11038 1 781 . 1 1 83 83 THR H H 1 8.480 0.020 . 1 . . . . 586 THR H . 11038 1 782 . 1 1 83 83 THR CA C 13 64.916 0.400 . 1 . . . . 586 THR CA . 11038 1 783 . 1 1 83 83 THR HA H 1 3.557 0.020 . 1 . . . . 586 THR HA . 11038 1 784 . 1 1 83 83 THR CB C 13 66.609 0.400 . 1 . . . . 586 THR CB . 11038 1 785 . 1 1 83 83 THR HB H 1 4.151 0.020 . 1 . . . . 586 THR HB . 11038 1 786 . 1 1 83 83 THR HG21 H 1 1.131 0.020 . 1 . . . . 586 THR HG2 . 11038 1 787 . 1 1 83 83 THR HG22 H 1 1.131 0.020 . 1 . . . . 586 THR HG2 . 11038 1 788 . 1 1 83 83 THR HG23 H 1 1.131 0.020 . 1 . . . . 586 THR HG2 . 11038 1 789 . 1 1 83 83 THR C C 13 175.089 0.400 . 1 . . . . 586 THR C . 11038 1 790 . 1 1 84 84 ALA N N 15 119.916 0.400 . 1 . . . . 587 ALA N . 11038 1 791 . 1 1 84 84 ALA H H 1 8.353 0.020 . 1 . . . . 587 ALA H . 11038 1 792 . 1 1 84 84 ALA CA C 13 51.821 0.400 . 1 . . . . 587 ALA CA . 11038 1 793 . 1 1 84 84 ALA HA H 1 3.854 0.020 . 1 . . . . 587 ALA HA . 11038 1 794 . 1 1 84 84 ALA HB1 H 1 1.321 0.020 . 1 . . . . 587 ALA HB . 11038 1 795 . 1 1 84 84 ALA HB2 H 1 1.321 0.020 . 1 . . . . 587 ALA HB . 11038 1 796 . 1 1 84 84 ALA HB3 H 1 1.321 0.020 . 1 . . . . 587 ALA HB . 11038 1 797 . 1 1 84 84 ALA CB C 13 17.215 0.400 . 1 . . . . 587 ALA CB . 11038 1 798 . 1 1 84 84 ALA C C 13 177.924 0.400 . 1 . . . . 587 ALA C . 11038 1 799 . 1 1 85 85 SER N N 15 111.000 0.400 . 1 . . . . 588 SER N . 11038 1 800 . 1 1 85 85 SER H H 1 7.519 0.020 . 1 . . . . 588 SER H . 11038 1 801 . 1 1 85 85 SER CA C 13 57.545 0.400 . 1 . . . . 588 SER CA . 11038 1 802 . 1 1 85 85 SER HA H 1 4.270 0.020 . 1 . . . . 588 SER HA . 11038 1 803 . 1 1 85 85 SER CB C 13 61.967 0.400 . 1 . . . . 588 SER CB . 11038 1 804 . 1 1 85 85 SER HB2 H 1 3.934 0.020 . 2 . . . . 588 SER HB2 . 11038 1 805 . 1 1 85 85 SER HB3 H 1 3.864 0.020 . 2 . . . . 588 SER HB3 . 11038 1 806 . 1 1 85 85 SER C C 13 173.499 0.400 . 1 . . . . 588 SER C . 11038 1 807 . 1 1 86 86 ILE N N 15 118.361 0.400 . 1 . . . . 589 ILE N . 11038 1 808 . 1 1 86 86 ILE H H 1 7.125 0.020 . 1 . . . . 589 ILE H . 11038 1 809 . 1 1 86 86 ILE CA C 13 57.778 0.400 . 1 . . . . 589 ILE CA . 11038 1 810 . 1 1 86 86 ILE HA H 1 4.334 0.020 . 1 . . . . 589 ILE HA . 11038 1 811 . 1 1 86 86 ILE CB C 13 37.378 0.400 . 1 . . . . 589 ILE CB . 11038 1 812 . 1 1 86 86 ILE HB H 1 1.834 0.020 . 1 . . . . 589 ILE HB . 11038 1 813 . 1 1 86 86 ILE HG21 H 1 0.642 0.020 . 1 . . . . 589 ILE HG2 . 11038 1 814 . 1 1 86 86 ILE HG22 H 1 0.642 0.020 . 1 . . . . 589 ILE HG2 . 11038 1 815 . 1 1 86 86 ILE HG23 H 1 0.642 0.020 . 1 . . . . 589 ILE HG2 . 11038 1 816 . 1 1 86 86 ILE CG2 C 13 14.730 0.400 . 1 . . . . 589 ILE CG2 . 11038 1 817 . 1 1 86 86 ILE CG1 C 13 22.573 0.400 . 1 . . . . 589 ILE CG1 . 11038 1 818 . 1 1 86 86 ILE HG12 H 1 1.202 0.020 . 2 . . . . 589 ILE HG12 . 11038 1 819 . 1 1 86 86 ILE HG13 H 1 1.202 0.020 . 2 . . . . 589 ILE HG13 . 11038 1 820 . 1 1 86 86 ILE HD11 H 1 0.532 0.020 . 1 . . . . 589 ILE HD1 . 11038 1 821 . 1 1 86 86 ILE HD12 H 1 0.532 0.020 . 1 . . . . 589 ILE HD1 . 11038 1 822 . 1 1 86 86 ILE HD13 H 1 0.532 0.020 . 1 . . . . 589 ILE HD1 . 11038 1 823 . 1 1 86 86 ILE CD1 C 13 11.259 0.400 . 1 . . . . 589 ILE CD1 . 11038 1 824 . 1 1 86 86 ILE C C 13 174.867 0.400 . 1 . . . . 589 ILE C . 11038 1 825 . 1 1 87 87 ALA N N 15 125.567 0.400 . 1 . . . . 590 ALA N . 11038 1 826 . 1 1 87 87 ALA H H 1 8.129 0.020 . 1 . . . . 590 ALA H . 11038 1 827 . 1 1 87 87 ALA CA C 13 48.614 0.400 . 1 . . . . 590 ALA CA . 11038 1 828 . 1 1 87 87 ALA HA H 1 4.373 0.020 . 1 . . . . 590 ALA HA . 11038 1 829 . 1 1 87 87 ALA HB1 H 1 1.344 0.020 . 1 . . . . 590 ALA HB . 11038 1 830 . 1 1 87 87 ALA HB2 H 1 1.344 0.020 . 1 . . . . 590 ALA HB . 11038 1 831 . 1 1 87 87 ALA HB3 H 1 1.344 0.020 . 1 . . . . 590 ALA HB . 11038 1 832 . 1 1 87 87 ALA CB C 13 15.338 0.400 . 1 . . . . 590 ALA CB . 11038 1 833 . 1 1 88 88 PRO CA C 13 63.935 0.400 . 1 . . . . 591 PRO CA . 11038 1 834 . 1 1 88 88 PRO HA H 1 3.738 0.020 . 1 . . . . 591 PRO HA . 11038 1 835 . 1 1 88 88 PRO CB C 13 29.947 0.400 . 1 . . . . 591 PRO CB . 11038 1 836 . 1 1 88 88 PRO HB2 H 1 2.310 0.020 . 2 . . . . 591 PRO HB2 . 11038 1 837 . 1 1 88 88 PRO HB3 H 1 1.924 0.020 . 2 . . . . 591 PRO HB3 . 11038 1 838 . 1 1 88 88 PRO HG2 H 1 3.739 0.020 . 2 . . . . 591 PRO HG2 . 11038 1 839 . 1 1 88 88 PRO HG3 H 1 3.739 0.020 . 2 . . . . 591 PRO HG3 . 11038 1 840 . 1 1 88 88 PRO HD2 H 1 3.776 0.020 . 2 . . . . 591 PRO HD2 . 11038 1 841 . 1 1 88 88 PRO HD3 H 1 3.776 0.020 . 2 . . . . 591 PRO HD3 . 11038 1 842 . 1 1 88 88 PRO C C 13 179.166 0.400 . 1 . . . . 591 PRO C . 11038 1 843 . 1 1 89 89 GLN N N 15 114.348 0.400 . 1 . . . . 592 GLN N . 11038 1 844 . 1 1 89 89 GLN H H 1 8.758 0.020 . 1 . . . . 592 GLN H . 11038 1 845 . 1 1 89 89 GLN CA C 13 55.972 0.400 . 1 . . . . 592 GLN CA . 11038 1 846 . 1 1 89 89 GLN HA H 1 4.122 0.020 . 1 . . . . 592 GLN HA . 11038 1 847 . 1 1 89 89 GLN CB C 13 25.581 0.400 . 1 . . . . 592 GLN CB . 11038 1 848 . 1 1 89 89 GLN HB2 H 1 2.054 0.020 . 2 . . . . 592 GLN HB2 . 11038 1 849 . 1 1 89 89 GLN HB3 H 1 2.025 0.020 . 2 . . . . 592 GLN HB3 . 11038 1 850 . 1 1 89 89 GLN CG C 13 31.758 0.400 . 1 . . . . 592 GLN CG . 11038 1 851 . 1 1 89 89 GLN HG2 H 1 2.439 0.020 . 2 . . . . 592 GLN HG2 . 11038 1 852 . 1 1 89 89 GLN HG3 H 1 2.376 0.020 . 2 . . . . 592 GLN HG3 . 11038 1 853 . 1 1 89 89 GLN C C 13 176.795 0.400 . 1 . . . . 592 GLN C . 11038 1 854 . 1 1 90 90 GLN N N 15 116.732 0.400 . 1 . . . . 593 GLN N . 11038 1 855 . 1 1 90 90 GLN H H 1 7.987 0.020 . 1 . . . . 593 GLN H . 11038 1 856 . 1 1 90 90 GLN CA C 13 53.319 0.400 . 1 . . . . 593 GLN CA . 11038 1 857 . 1 1 90 90 GLN HA H 1 4.306 0.020 . 1 . . . . 593 GLN HA . 11038 1 858 . 1 1 90 90 GLN CB C 13 27.719 0.400 . 1 . . . . 593 GLN CB . 11038 1 859 . 1 1 90 90 GLN HB2 H 1 2.247 0.020 . 2 . . . . 593 GLN HB2 . 11038 1 860 . 1 1 90 90 GLN HB3 H 1 1.978 0.020 . 2 . . . . 593 GLN HB3 . 11038 1 861 . 1 1 90 90 GLN CG C 13 32.564 0.400 . 1 . . . . 593 GLN CG . 11038 1 862 . 1 1 90 90 GLN HG2 H 1 2.303 0.020 . 2 . . . . 593 GLN HG2 . 11038 1 863 . 1 1 90 90 GLN HG3 H 1 2.249 0.020 . 2 . . . . 593 GLN HG3 . 11038 1 864 . 1 1 90 90 GLN C C 13 175.890 0.400 . 1 . . . . 593 GLN C . 11038 1 865 . 1 1 91 91 ARG N N 15 120.170 0.400 . 1 . . . . 594 ARG N . 11038 1 866 . 1 1 91 91 ARG H H 1 7.230 0.020 . 1 . . . . 594 ARG H . 11038 1 867 . 1 1 91 91 ARG CA C 13 55.265 0.400 . 1 . . . . 594 ARG CA . 11038 1 868 . 1 1 91 91 ARG HA H 1 4.127 0.020 . 1 . . . . 594 ARG HA . 11038 1 869 . 1 1 91 91 ARG CB C 13 28.160 0.400 . 1 . . . . 594 ARG CB . 11038 1 870 . 1 1 91 91 ARG HB2 H 1 1.765 0.020 . 2 . . . . 594 ARG HB2 . 11038 1 871 . 1 1 91 91 ARG HB3 H 1 1.765 0.020 . 2 . . . . 594 ARG HB3 . 11038 1 872 . 1 1 91 91 ARG C C 13 180.395 0.400 . 1 . . . . 594 ARG C . 11038 1 873 . 1 1 92 92 ARG N N 15 122.460 0.400 . 1 . . . . 595 ARG N . 11038 1 874 . 1 1 92 92 ARG H H 1 8.460 0.020 . 1 . . . . 595 ARG H . 11038 1 875 . 1 1 92 92 ARG CA C 13 52.678 0.400 . 1 . . . . 595 ARG CA . 11038 1 876 . 1 1 92 92 ARG HA H 1 4.517 0.020 . 1 . . . . 595 ARG HA . 11038 1 877 . 1 1 92 92 ARG CB C 13 30.036 0.400 . 1 . . . . 595 ARG CB . 11038 1 878 . 1 1 92 92 ARG HB2 H 1 1.809 0.020 . 2 . . . . 595 ARG HB2 . 11038 1 879 . 1 1 92 92 ARG HB3 H 1 1.776 0.020 . 2 . . . . 595 ARG HB3 . 11038 1 880 . 1 1 92 92 ARG C C 13 176.717 0.400 . 1 . . . . 595 ARG C . 11038 1 881 . 1 1 93 93 GLY N N 15 109.459 0.400 . 1 . . . . 596 GLY N . 11038 1 882 . 1 1 93 93 GLY H H 1 8.450 0.020 . 1 . . . . 596 GLY H . 11038 1 883 . 1 1 93 93 GLY CA C 13 42.011 0.400 . 1 . . . . 596 GLY CA . 11038 1 884 . 1 1 93 93 GLY HA2 H 1 4.047 0.020 . 2 . . . . 596 GLY HA2 . 11038 1 885 . 1 1 93 93 GLY HA3 H 1 3.763 0.020 . 2 . . . . 596 GLY HA3 . 11038 1 886 . 1 1 93 93 GLY C C 13 173.729 0.400 . 1 . . . . 596 GLY C . 11038 1 887 . 1 1 94 94 ALA N N 15 125.150 0.400 . 1 . . . . 597 ALA N . 11038 1 888 . 1 1 94 94 ALA H H 1 8.313 0.020 . 1 . . . . 597 ALA H . 11038 1 889 . 1 1 94 94 ALA CA C 13 47.909 0.400 . 1 . . . . 597 ALA CA . 11038 1 890 . 1 1 94 94 ALA HA H 1 4.412 0.020 . 1 . . . . 597 ALA HA . 11038 1 891 . 1 1 94 94 ALA HB1 H 1 1.306 0.020 . 1 . . . . 597 ALA HB . 11038 1 892 . 1 1 94 94 ALA HB2 H 1 1.306 0.020 . 1 . . . . 597 ALA HB . 11038 1 893 . 1 1 94 94 ALA HB3 H 1 1.306 0.020 . 1 . . . . 597 ALA HB . 11038 1 894 . 1 1 94 94 ALA CB C 13 15.597 0.400 . 1 . . . . 597 ALA CB . 11038 1 895 . 1 1 95 95 PRO CA C 13 61.061 0.400 . 1 . . . . 598 PRO CA . 11038 1 896 . 1 1 95 95 PRO HA H 1 4.354 0.020 . 1 . . . . 598 PRO HA . 11038 1 897 . 1 1 95 95 PRO CB C 13 29.806 0.400 . 1 . . . . 598 PRO CB . 11038 1 898 . 1 1 95 95 PRO HB2 H 1 2.125 0.020 . 2 . . . . 598 PRO HB2 . 11038 1 899 . 1 1 95 95 PRO HB3 H 1 1.795 0.020 . 2 . . . . 598 PRO HB3 . 11038 1 900 . 1 1 95 95 PRO CG C 13 25.197 0.400 . 1 . . . . 598 PRO CG . 11038 1 901 . 1 1 95 95 PRO HG2 H 1 1.964 0.020 . 2 . . . . 598 PRO HG2 . 11038 1 902 . 1 1 95 95 PRO HG3 H 1 1.964 0.020 . 2 . . . . 598 PRO HG3 . 11038 1 903 . 1 1 95 95 PRO HD2 H 1 3.788 0.020 . 2 . . . . 598 PRO HD2 . 11038 1 904 . 1 1 95 95 PRO HD3 H 1 3.591 0.020 . 2 . . . . 598 PRO HD3 . 11038 1 905 . 1 1 95 95 PRO C C 13 176.697 0.400 . 1 . . . . 598 PRO C . 11038 1 906 . 1 1 96 96 VAL N N 15 123.007 0.400 . 1 . . . . 599 VAL N . 11038 1 907 . 1 1 96 96 VAL H H 1 8.091 0.020 . 1 . . . . 599 VAL H . 11038 1 908 . 1 1 96 96 VAL CA C 13 56.745 0.400 . 1 . . . . 599 VAL CA . 11038 1 909 . 1 1 96 96 VAL HA H 1 4.373 0.020 . 1 . . . . 599 VAL HA . 11038 1 910 . 1 1 96 96 VAL CB C 13 32.418 0.400 . 1 . . . . 599 VAL CB . 11038 1 911 . 1 1 96 96 VAL HB H 1 1.765 0.020 . 1 . . . . 599 VAL HB . 11038 1 912 . 1 1 96 96 VAL HG11 H 1 0.827 0.020 . 2 . . . . 599 VAL HG1 . 11038 1 913 . 1 1 96 96 VAL HG12 H 1 0.827 0.020 . 2 . . . . 599 VAL HG1 . 11038 1 914 . 1 1 96 96 VAL HG13 H 1 0.827 0.020 . 2 . . . . 599 VAL HG1 . 11038 1 915 . 1 1 96 96 VAL HG21 H 1 0.894 0.020 . 2 . . . . 599 VAL HG2 . 11038 1 916 . 1 1 96 96 VAL HG22 H 1 0.894 0.020 . 2 . . . . 599 VAL HG2 . 11038 1 917 . 1 1 96 96 VAL HG23 H 1 0.894 0.020 . 2 . . . . 599 VAL HG2 . 11038 1 918 . 1 1 96 96 VAL CG1 C 13 18.760 0.400 . 1 . . . . 599 VAL CG1 . 11038 1 919 . 1 1 96 96 VAL CG2 C 13 19.418 0.400 . 1 . . . . 599 VAL CG2 . 11038 1 920 . 1 1 97 97 PRO CA C 13 61.305 0.400 . 1 . . . . 600 PRO CA . 11038 1 921 . 1 1 97 97 PRO HA H 1 4.299 0.020 . 1 . . . . 600 PRO HA . 11038 1 922 . 1 1 97 97 PRO CB C 13 30.541 0.400 . 1 . . . . 600 PRO CB . 11038 1 923 . 1 1 97 97 PRO HB2 H 1 2.509 0.020 . 2 . . . . 600 PRO HB2 . 11038 1 924 . 1 1 97 97 PRO HB3 H 1 1.810 0.020 . 2 . . . . 600 PRO HB3 . 11038 1 925 . 1 1 97 97 PRO CG C 13 25.442 0.400 . 1 . . . . 600 PRO CG . 11038 1 926 . 1 1 97 97 PRO HG2 H 1 2.057 0.020 . 2 . . . . 600 PRO HG2 . 11038 1 927 . 1 1 97 97 PRO HG3 H 1 2.107 0.020 . 2 . . . . 600 PRO HG3 . 11038 1 928 . 1 1 97 97 PRO HD2 H 1 3.466 0.020 . 2 . . . . 600 PRO HD2 . 11038 1 929 . 1 1 97 97 PRO HD3 H 1 3.905 0.020 . 2 . . . . 600 PRO HD3 . 11038 1 930 . 1 1 97 97 PRO C C 13 177.885 0.400 . 1 . . . . 600 PRO C . 11038 1 931 . 1 1 98 98 GLN N N 15 126.512 0.400 . 1 . . . . 601 GLN N . 11038 1 932 . 1 1 98 98 GLN H H 1 9.007 0.020 . 1 . . . . 601 GLN H . 11038 1 933 . 1 1 98 98 GLN CA C 13 56.457 0.400 . 1 . . . . 601 GLN CA . 11038 1 934 . 1 1 98 98 GLN HA H 1 3.629 0.020 . 1 . . . . 601 GLN HA . 11038 1 935 . 1 1 98 98 GLN CB C 13 26.351 0.400 . 1 . . . . 601 GLN CB . 11038 1 936 . 1 1 98 98 GLN HB2 H 1 2.300 0.020 . 2 . . . . 601 GLN HB2 . 11038 1 937 . 1 1 98 98 GLN HB3 H 1 1.912 0.020 . 2 . . . . 601 GLN HB3 . 11038 1 938 . 1 1 98 98 GLN CG C 13 31.195 0.400 . 1 . . . . 601 GLN CG . 11038 1 939 . 1 1 98 98 GLN HG2 H 1 2.384 0.020 . 2 . . . . 601 GLN HG2 . 11038 1 940 . 1 1 98 98 GLN HG3 H 1 2.308 0.020 . 2 . . . . 601 GLN HG3 . 11038 1 941 . 1 1 98 98 GLN C C 13 177.049 0.400 . 1 . . . . 601 GLN C . 11038 1 942 . 1 1 99 99 GLU N N 15 116.637 0.400 . 1 . . . . 602 GLU N . 11038 1 943 . 1 1 99 99 GLU H H 1 9.486 0.020 . 1 . . . . 602 GLU H . 11038 1 944 . 1 1 99 99 GLU CA C 13 57.632 0.400 . 1 . . . . 602 GLU CA . 11038 1 945 . 1 1 99 99 GLU HA H 1 4.152 0.020 . 1 . . . . 602 GLU HA . 11038 1 946 . 1 1 99 99 GLU CB C 13 26.599 0.400 . 1 . . . . 602 GLU CB . 11038 1 947 . 1 1 99 99 GLU HB2 H 1 2.007 0.020 . 2 . . . . 602 GLU HB2 . 11038 1 948 . 1 1 99 99 GLU HB3 H 1 1.974 0.020 . 2 . . . . 602 GLU HB3 . 11038 1 949 . 1 1 99 99 GLU CG C 13 34.195 0.400 . 1 . . . . 602 GLU CG . 11038 1 950 . 1 1 99 99 GLU HG2 H 1 2.290 0.020 . 2 . . . . 602 GLU HG2 . 11038 1 951 . 1 1 99 99 GLU HG3 H 1 2.290 0.020 . 2 . . . . 602 GLU HG3 . 11038 1 952 . 1 1 99 99 GLU C C 13 179.622 0.400 . 1 . . . . 602 GLU C . 11038 1 953 . 1 1 100 100 LEU N N 15 117.953 0.400 . 1 . . . . 603 LEU N . 11038 1 954 . 1 1 100 100 LEU H H 1 7.149 0.020 . 1 . . . . 603 LEU H . 11038 1 955 . 1 1 100 100 LEU CA C 13 54.965 0.400 . 1 . . . . 603 LEU CA . 11038 1 956 . 1 1 100 100 LEU HA H 1 4.195 0.020 . 1 . . . . 603 LEU HA . 11038 1 957 . 1 1 100 100 LEU CB C 13 39.740 0.400 . 1 . . . . 603 LEU CB . 11038 1 958 . 1 1 100 100 LEU HB2 H 1 1.839 0.020 . 2 . . . . 603 LEU HB2 . 11038 1 959 . 1 1 100 100 LEU HB3 H 1 1.295 0.020 . 2 . . . . 603 LEU HB3 . 11038 1 960 . 1 1 100 100 LEU CG C 13 24.962 0.400 . 1 . . . . 603 LEU CG . 11038 1 961 . 1 1 100 100 LEU HG H 1 1.666 0.020 . 1 . . . . 603 LEU HG . 11038 1 962 . 1 1 100 100 LEU HD11 H 1 0.903 0.020 . 2 . . . . 603 LEU HD1 . 11038 1 963 . 1 1 100 100 LEU HD12 H 1 0.903 0.020 . 2 . . . . 603 LEU HD1 . 11038 1 964 . 1 1 100 100 LEU HD13 H 1 0.903 0.020 . 2 . . . . 603 LEU HD1 . 11038 1 965 . 1 1 100 100 LEU HD21 H 1 0.833 0.020 . 2 . . . . 603 LEU HD2 . 11038 1 966 . 1 1 100 100 LEU HD22 H 1 0.833 0.020 . 2 . . . . 603 LEU HD2 . 11038 1 967 . 1 1 100 100 LEU HD23 H 1 0.833 0.020 . 2 . . . . 603 LEU HD2 . 11038 1 968 . 1 1 100 100 LEU CD1 C 13 23.304 0.400 . 1 . . . . 603 LEU CD1 . 11038 1 969 . 1 1 100 100 LEU CD2 C 13 22.106 0.400 . 1 . . . . 603 LEU CD2 . 11038 1 970 . 1 1 100 100 LEU C C 13 178.630 0.400 . 1 . . . . 603 LEU C . 11038 1 971 . 1 1 101 101 LEU N N 15 119.874 0.400 . 1 . . . . 604 LEU N . 11038 1 972 . 1 1 101 101 LEU H H 1 7.355 0.020 . 1 . . . . 604 LEU H . 11038 1 973 . 1 1 101 101 LEU CA C 13 55.697 0.400 . 1 . . . . 604 LEU CA . 11038 1 974 . 1 1 101 101 LEU HA H 1 3.784 0.020 . 1 . . . . 604 LEU HA . 11038 1 975 . 1 1 101 101 LEU CB C 13 37.971 0.400 . 1 . . . . 604 LEU CB . 11038 1 976 . 1 1 101 101 LEU HB2 H 1 2.027 0.020 . 2 . . . . 604 LEU HB2 . 11038 1 977 . 1 1 101 101 LEU HB3 H 1 1.208 0.020 . 2 . . . . 604 LEU HB3 . 11038 1 978 . 1 1 101 101 LEU CG C 13 23.790 0.400 . 1 . . . . 604 LEU CG . 11038 1 979 . 1 1 101 101 LEU HG H 1 1.515 0.020 . 1 . . . . 604 LEU HG . 11038 1 980 . 1 1 101 101 LEU HD11 H 1 0.686 0.020 . 2 . . . . 604 LEU HD1 . 11038 1 981 . 1 1 101 101 LEU HD12 H 1 0.686 0.020 . 2 . . . . 604 LEU HD1 . 11038 1 982 . 1 1 101 101 LEU HD13 H 1 0.686 0.020 . 2 . . . . 604 LEU HD1 . 11038 1 983 . 1 1 101 101 LEU HD21 H 1 0.539 0.020 . 2 . . . . 604 LEU HD2 . 11038 1 984 . 1 1 101 101 LEU HD22 H 1 0.539 0.020 . 2 . . . . 604 LEU HD2 . 11038 1 985 . 1 1 101 101 LEU HD23 H 1 0.539 0.020 . 2 . . . . 604 LEU HD2 . 11038 1 986 . 1 1 101 101 LEU CD1 C 13 24.142 0.400 . 1 . . . . 604 LEU CD1 . 11038 1 987 . 1 1 101 101 LEU CD2 C 13 19.409 0.400 . 1 . . . . 604 LEU CD2 . 11038 1 988 . 1 1 101 101 LEU C C 13 178.955 0.400 . 1 . . . . 604 LEU C . 11038 1 989 . 1 1 102 102 ASP N N 15 119.296 0.400 . 1 . . . . 605 ASP N . 11038 1 990 . 1 1 102 102 ASP H H 1 8.884 0.020 . 1 . . . . 605 ASP H . 11038 1 991 . 1 1 102 102 ASP CA C 13 55.475 0.400 . 1 . . . . 605 ASP CA . 11038 1 992 . 1 1 102 102 ASP HA H 1 4.346 0.020 . 1 . . . . 605 ASP HA . 11038 1 993 . 1 1 102 102 ASP CB C 13 37.739 0.400 . 1 . . . . 605 ASP CB . 11038 1 994 . 1 1 102 102 ASP HB2 H 1 2.717 0.020 . 2 . . . . 605 ASP HB2 . 11038 1 995 . 1 1 102 102 ASP HB3 H 1 2.607 0.020 . 2 . . . . 605 ASP HB3 . 11038 1 996 . 1 1 102 102 ASP C C 13 180.370 0.400 . 1 . . . . 605 ASP C . 11038 1 997 . 1 1 103 103 ARG N N 15 120.658 0.400 . 1 . . . . 606 ARG N . 11038 1 998 . 1 1 103 103 ARG H H 1 7.314 0.020 . 1 . . . . 606 ARG H . 11038 1 999 . 1 1 103 103 ARG CA C 13 57.310 0.400 . 1 . . . . 606 ARG CA . 11038 1 1000 . 1 1 103 103 ARG HA H 1 4.125 0.020 . 1 . . . . 606 ARG HA . 11038 1 1001 . 1 1 103 103 ARG CB C 13 29.878 0.400 . 1 . . . . 606 ARG CB . 11038 1 1002 . 1 1 103 103 ARG HB2 H 1 2.177 0.020 . 2 . . . . 606 ARG HB2 . 11038 1 1003 . 1 1 103 103 ARG HB3 H 1 1.950 0.020 . 2 . . . . 606 ARG HB3 . 11038 1 1004 . 1 1 103 103 ARG HG2 H 1 1.769 0.020 . 2 . . . . 606 ARG HG2 . 11038 1 1005 . 1 1 103 103 ARG HG3 H 1 1.769 0.020 . 2 . . . . 606 ARG HG3 . 11038 1 1006 . 1 1 103 103 ARG C C 13 180.078 0.400 . 1 . . . . 606 ARG C . 11038 1 1007 . 1 1 104 104 VAL N N 15 123.410 0.400 . 1 . . . . 607 VAL N . 11038 1 1008 . 1 1 104 104 VAL H H 1 8.218 0.020 . 1 . . . . 607 VAL H . 11038 1 1009 . 1 1 104 104 VAL CA C 13 64.231 0.400 . 1 . . . . 607 VAL CA . 11038 1 1010 . 1 1 104 104 VAL HA H 1 3.816 0.020 . 1 . . . . 607 VAL HA . 11038 1 1011 . 1 1 104 104 VAL CB C 13 28.987 0.400 . 1 . . . . 607 VAL CB . 11038 1 1012 . 1 1 104 104 VAL HB H 1 2.308 0.020 . 1 . . . . 607 VAL HB . 11038 1 1013 . 1 1 104 104 VAL HG11 H 1 0.797 0.020 . 2 . . . . 607 VAL HG1 . 11038 1 1014 . 1 1 104 104 VAL HG12 H 1 0.797 0.020 . 2 . . . . 607 VAL HG1 . 11038 1 1015 . 1 1 104 104 VAL HG13 H 1 0.797 0.020 . 2 . . . . 607 VAL HG1 . 11038 1 1016 . 1 1 104 104 VAL HG21 H 1 0.020 0.020 . 2 . . . . 607 VAL HG2 . 11038 1 1017 . 1 1 104 104 VAL HG22 H 1 0.020 0.020 . 2 . . . . 607 VAL HG2 . 11038 1 1018 . 1 1 104 104 VAL HG23 H 1 0.020 0.020 . 2 . . . . 607 VAL HG2 . 11038 1 1019 . 1 1 104 104 VAL CG1 C 13 21.171 0.400 . 1 . . . . 607 VAL CG1 . 11038 1 1020 . 1 1 104 104 VAL CG2 C 13 18.417 0.400 . 1 . . . . 607 VAL CG2 . 11038 1 1021 . 1 1 104 104 VAL C C 13 177.466 0.400 . 1 . . . . 607 VAL C . 11038 1 1022 . 1 1 105 105 LEU N N 15 117.396 0.400 . 1 . . . . 608 LEU N . 11038 1 1023 . 1 1 105 105 LEU H H 1 7.758 0.020 . 1 . . . . 608 LEU H . 11038 1 1024 . 1 1 105 105 LEU CA C 13 55.781 0.400 . 1 . . . . 608 LEU CA . 11038 1 1025 . 1 1 105 105 LEU HA H 1 3.958 0.020 . 1 . . . . 608 LEU HA . 11038 1 1026 . 1 1 105 105 LEU CB C 13 39.191 0.400 . 1 . . . . 608 LEU CB . 11038 1 1027 . 1 1 105 105 LEU HB2 H 1 1.827 0.020 . 2 . . . . 608 LEU HB2 . 11038 1 1028 . 1 1 105 105 LEU HB3 H 1 1.489 0.020 . 2 . . . . 608 LEU HB3 . 11038 1 1029 . 1 1 105 105 LEU CG C 13 24.223 0.400 . 1 . . . . 608 LEU CG . 11038 1 1030 . 1 1 105 105 LEU HG H 1 1.631 0.020 . 1 . . . . 608 LEU HG . 11038 1 1031 . 1 1 105 105 LEU HD11 H 1 0.802 0.020 . 2 . . . . 608 LEU HD1 . 11038 1 1032 . 1 1 105 105 LEU HD12 H 1 0.802 0.020 . 2 . . . . 608 LEU HD1 . 11038 1 1033 . 1 1 105 105 LEU HD13 H 1 0.802 0.020 . 2 . . . . 608 LEU HD1 . 11038 1 1034 . 1 1 105 105 LEU HD21 H 1 0.726 0.020 . 2 . . . . 608 LEU HD2 . 11038 1 1035 . 1 1 105 105 LEU HD22 H 1 0.726 0.020 . 2 . . . . 608 LEU HD2 . 11038 1 1036 . 1 1 105 105 LEU HD23 H 1 0.726 0.020 . 2 . . . . 608 LEU HD2 . 11038 1 1037 . 1 1 105 105 LEU CD1 C 13 22.972 0.400 . 1 . . . . 608 LEU CD1 . 11038 1 1038 . 1 1 105 105 LEU CD2 C 13 20.344 0.400 . 1 . . . . 608 LEU CD2 . 11038 1 1039 . 1 1 105 105 LEU C C 13 180.479 0.400 . 1 . . . . 608 LEU C . 11038 1 1040 . 1 1 106 106 ALA N N 15 121.648 0.400 . 1 . . . . 609 ALA N . 11038 1 1041 . 1 1 106 106 ALA H H 1 8.056 0.020 . 1 . . . . 609 ALA H . 11038 1 1042 . 1 1 106 106 ALA CA C 13 52.896 0.400 . 1 . . . . 609 ALA CA . 11038 1 1043 . 1 1 106 106 ALA HA H 1 4.221 0.020 . 1 . . . . 609 ALA HA . 11038 1 1044 . 1 1 106 106 ALA HB1 H 1 1.486 0.020 . 1 . . . . 609 ALA HB . 11038 1 1045 . 1 1 106 106 ALA HB2 H 1 1.486 0.020 . 1 . . . . 609 ALA HB . 11038 1 1046 . 1 1 106 106 ALA HB3 H 1 1.486 0.020 . 1 . . . . 609 ALA HB . 11038 1 1047 . 1 1 106 106 ALA CB C 13 16.082 0.400 . 1 . . . . 609 ALA CB . 11038 1 1048 . 1 1 106 106 ALA C C 13 176.164 0.400 . 1 . . . . 609 ALA C . 11038 1 1049 . 1 1 107 107 ALA N N 15 122.466 0.400 . 1 . . . . 610 ALA N . 11038 1 1050 . 1 1 107 107 ALA H H 1 8.461 0.020 . 1 . . . . 610 ALA H . 11038 1 1051 . 1 1 107 107 ALA CA C 13 52.856 0.400 . 1 . . . . 610 ALA CA . 11038 1 1052 . 1 1 107 107 ALA HA H 1 4.151 0.020 . 1 . . . . 610 ALA HA . 11038 1 1053 . 1 1 107 107 ALA HB1 H 1 1.496 0.020 . 1 . . . . 610 ALA HB . 11038 1 1054 . 1 1 107 107 ALA HB2 H 1 1.496 0.020 . 1 . . . . 610 ALA HB . 11038 1 1055 . 1 1 107 107 ALA HB3 H 1 1.496 0.020 . 1 . . . . 610 ALA HB . 11038 1 1056 . 1 1 107 107 ALA CB C 13 16.127 0.400 . 1 . . . . 610 ALA CB . 11038 1 1057 . 1 1 107 107 ALA C C 13 179.469 0.400 . 1 . . . . 610 ALA C . 11038 1 1058 . 1 1 108 108 GLN N N 15 118.142 0.400 . 1 . . . . 611 GLN N . 11038 1 1059 . 1 1 108 108 GLN H H 1 8.809 0.020 . 1 . . . . 611 GLN H . 11038 1 1060 . 1 1 108 108 GLN CA C 13 56.715 0.400 . 1 . . . . 611 GLN CA . 11038 1 1061 . 1 1 108 108 GLN HA H 1 4.375 0.020 . 1 . . . . 611 GLN HA . 11038 1 1062 . 1 1 108 108 GLN CB C 13 26.244 0.400 . 1 . . . . 611 GLN CB . 11038 1 1063 . 1 1 108 108 GLN HB2 H 1 2.496 0.020 . 2 . . . . 611 GLN HB2 . 11038 1 1064 . 1 1 108 108 GLN HB3 H 1 2.231 0.020 . 2 . . . . 611 GLN HB3 . 11038 1 1065 . 1 1 108 108 GLN CG C 13 30.717 0.400 . 1 . . . . 611 GLN CG . 11038 1 1066 . 1 1 108 108 GLN HG2 H 1 2.512 0.020 . 2 . . . . 611 GLN HG2 . 11038 1 1067 . 1 1 108 108 GLN HG3 H 1 2.491 0.020 . 2 . . . . 611 GLN HG3 . 11038 1 1068 . 1 1 108 108 GLN C C 13 178.802 0.400 . 1 . . . . 611 GLN C . 11038 1 1069 . 1 1 109 109 ALA N N 15 120.277 0.400 . 1 . . . . 612 ALA N . 11038 1 1070 . 1 1 109 109 ALA H H 1 7.954 0.020 . 1 . . . . 612 ALA H . 11038 1 1071 . 1 1 109 109 ALA CA C 13 52.731 0.400 . 1 . . . . 612 ALA CA . 11038 1 1072 . 1 1 109 109 ALA HA H 1 4.165 0.020 . 1 . . . . 612 ALA HA . 11038 1 1073 . 1 1 109 109 ALA HB1 H 1 1.490 0.020 . 1 . . . . 612 ALA HB . 11038 1 1074 . 1 1 109 109 ALA HB2 H 1 1.490 0.020 . 1 . . . . 612 ALA HB . 11038 1 1075 . 1 1 109 109 ALA HB3 H 1 1.490 0.020 . 1 . . . . 612 ALA HB . 11038 1 1076 . 1 1 109 109 ALA CB C 13 16.110 0.400 . 1 . . . . 612 ALA CB . 11038 1 1077 . 1 1 109 109 ALA C C 13 180.009 0.400 . 1 . . . . 612 ALA C . 11038 1 1078 . 1 1 110 110 TYR N N 15 119.764 0.400 . 1 . . . . 613 TYR N . 11038 1 1079 . 1 1 110 110 TYR H H 1 8.226 0.020 . 1 . . . . 613 TYR H . 11038 1 1080 . 1 1 110 110 TYR CA C 13 59.289 0.400 . 1 . . . . 613 TYR CA . 11038 1 1081 . 1 1 110 110 TYR HA H 1 3.926 0.020 . 1 . . . . 613 TYR HA . 11038 1 1082 . 1 1 110 110 TYR CB C 13 36.529 0.400 . 1 . . . . 613 TYR CB . 11038 1 1083 . 1 1 110 110 TYR HB2 H 1 2.800 0.020 . 2 . . . . 613 TYR HB2 . 11038 1 1084 . 1 1 110 110 TYR HB3 H 1 3.039 0.020 . 2 . . . . 613 TYR HB3 . 11038 1 1085 . 1 1 110 110 TYR HD1 H 1 5.904 0.020 . 1 . . . . 613 TYR HD1 . 11038 1 1086 . 1 1 110 110 TYR C C 13 177.711 0.400 . 1 . . . . 613 TYR C . 11038 1 1087 . 1 1 111 111 TRP N N 15 115.551 0.400 . 1 . . . . 614 TRP N . 11038 1 1088 . 1 1 111 111 TRP H H 1 8.044 0.020 . 1 . . . . 614 TRP H . 11038 1 1089 . 1 1 111 111 TRP CA C 13 55.666 0.400 . 1 . . . . 614 TRP CA . 11038 1 1090 . 1 1 111 111 TRP HA H 1 4.535 0.020 . 1 . . . . 614 TRP HA . 11038 1 1091 . 1 1 111 111 TRP CB C 13 27.729 0.400 . 1 . . . . 614 TRP CB . 11038 1 1092 . 1 1 111 111 TRP HB2 H 1 3.647 0.020 . 2 . . . . 614 TRP HB2 . 11038 1 1093 . 1 1 111 111 TRP HB3 H 1 3.019 0.020 . 2 . . . . 614 TRP HB3 . 11038 1 1094 . 1 1 111 111 TRP NE1 N 15 128.391 0.400 . 1 . . . . 614 TRP NE1 . 11038 1 1095 . 1 1 111 111 TRP HD1 H 1 7.293 0.020 . 1 . . . . 614 TRP HD1 . 11038 1 1096 . 1 1 111 111 TRP HE1 H 1 9.383 0.020 . 1 . . . . 614 TRP HE1 . 11038 1 1097 . 1 1 111 111 TRP HZ2 H 1 8.269 0.020 . 1 . . . . 614 TRP HZ2 . 11038 1 1098 . 1 1 111 111 TRP C C 13 176.742 0.400 . 1 . . . . 614 TRP C . 11038 1 1099 . 1 1 112 112 SER N N 15 115.205 0.400 . 1 . . . . 615 SER N . 11038 1 1100 . 1 1 112 112 SER H H 1 7.681 0.020 . 1 . . . . 615 SER H . 11038 1 1101 . 1 1 112 112 SER CA C 13 57.351 0.400 . 1 . . . . 615 SER CA . 11038 1 1102 . 1 1 112 112 SER HA H 1 4.493 0.020 . 1 . . . . 615 SER HA . 11038 1 1103 . 1 1 112 112 SER CB C 13 61.697 0.400 . 1 . . . . 615 SER CB . 11038 1 1104 . 1 1 112 112 SER HB2 H 1 4.037 0.020 . 2 . . . . 615 SER HB2 . 11038 1 1105 . 1 1 112 112 SER HB3 H 1 4.037 0.020 . 2 . . . . 615 SER HB3 . 11038 1 1106 . 1 1 112 112 SER C C 13 174.700 0.400 . 1 . . . . 615 SER C . 11038 1 1107 . 1 1 113 113 VAL N N 15 120.010 0.400 . 1 . . . . 1 VAL N . 11038 1 1108 . 1 1 113 113 VAL H H 1 7.659 0.020 . 1 . . . . 1 VAL H . 11038 1 1109 . 1 1 113 113 VAL CA C 13 60.071 0.400 . 1 . . . . 1 VAL CA . 11038 1 1110 . 1 1 113 113 VAL HA H 1 4.168 0.020 . 1 . . . . 1 VAL HA . 11038 1 1111 . 1 1 113 113 VAL CB C 13 30.677 0.400 . 1 . . . . 1 VAL CB . 11038 1 1112 . 1 1 113 113 VAL HB H 1 2.020 0.020 . 1 . . . . 1 VAL HB . 11038 1 1113 . 1 1 113 113 VAL HG11 H 1 0.867 0.020 . 2 . . . . 1 VAL HG1 . 11038 1 1114 . 1 1 113 113 VAL HG12 H 1 0.867 0.020 . 2 . . . . 1 VAL HG1 . 11038 1 1115 . 1 1 113 113 VAL HG13 H 1 0.867 0.020 . 2 . . . . 1 VAL HG1 . 11038 1 1116 . 1 1 113 113 VAL CG1 C 13 18.279 0.400 . 1 . . . . 1 VAL CG1 . 11038 1 1117 . 1 1 113 113 VAL C C 13 176.137 0.400 . 1 . . . . 1 VAL C . 11038 1 1118 . 1 1 114 114 ASP N N 15 123.201 0.400 . 1 . . . . 2 ASP N . 11038 1 1119 . 1 1 114 114 ASP H H 1 8.265 0.020 . 1 . . . . 2 ASP H . 11038 1 1120 . 1 1 114 114 ASP CA C 13 52.187 0.400 . 1 . . . . 2 ASP CA . 11038 1 1121 . 1 1 114 114 ASP HA H 1 4.580 0.020 . 1 . . . . 2 ASP HA . 11038 1 1122 . 1 1 114 114 ASP CB C 13 39.357 0.400 . 1 . . . . 2 ASP CB . 11038 1 1123 . 1 1 114 114 ASP HB2 H 1 2.673 0.020 . 2 . . . . 2 ASP HB2 . 11038 1 1124 . 1 1 114 114 ASP HB3 H 1 2.673 0.020 . 2 . . . . 2 ASP HB3 . 11038 1 1125 . 1 1 114 114 ASP C C 13 176.910 0.400 . 1 . . . . 2 ASP C . 11038 1 1126 . 1 1 115 115 SER N N 15 116.588 0.400 . 1 . . . . 3 SER N . 11038 1 1127 . 1 1 115 115 SER H H 1 8.296 0.020 . 1 . . . . 3 SER H . 11038 1 1128 . 1 1 115 115 SER CA C 13 56.867 0.400 . 1 . . . . 3 SER CA . 11038 1 1129 . 1 1 115 115 SER HA H 1 4.344 0.020 . 1 . . . . 3 SER HA . 11038 1 1130 . 1 1 115 115 SER CB C 13 61.566 0.400 . 1 . . . . 3 SER CB . 11038 1 1131 . 1 1 115 115 SER HB2 H 1 3.847 0.020 . 2 . . . . 3 SER HB2 . 11038 1 1132 . 1 1 115 115 SER HB3 H 1 3.847 0.020 . 2 . . . . 3 SER HB3 . 11038 1 1133 . 1 1 115 115 SER C C 13 175.355 0.400 . 1 . . . . 3 SER C . 11038 1 1134 . 1 1 116 116 SER N N 15 117.864 0.400 . 1 . . . . 4 SER N . 11038 1 1135 . 1 1 116 116 SER H H 1 8.366 0.020 . 1 . . . . 4 SER H . 11038 1 1136 . 1 1 116 116 SER CA C 13 57.218 0.400 . 1 . . . . 4 SER CA . 11038 1 1137 . 1 1 116 116 SER HA H 1 4.345 0.020 . 1 . . . . 4 SER HA . 11038 1 1138 . 1 1 116 116 SER CB C 13 61.526 0.400 . 1 . . . . 4 SER CB . 11038 1 1139 . 1 1 116 116 SER HB2 H 1 3.868 0.020 . 2 . . . . 4 SER HB2 . 11038 1 1140 . 1 1 116 116 SER HB3 H 1 3.868 0.020 . 2 . . . . 4 SER HB3 . 11038 1 1141 . 1 1 116 116 SER C C 13 175.309 0.400 . 1 . . . . 4 SER C . 11038 1 1142 . 1 1 117 117 GLY N N 15 110.356 0.400 . 1 . . . . 5 GLY N . 11038 1 1143 . 1 1 117 117 GLY H H 1 8.280 0.020 . 1 . . . . 5 GLY H . 11038 1 1144 . 1 1 117 117 GLY CA C 13 43.301 0.400 . 1 . . . . 5 GLY CA . 11038 1 1145 . 1 1 117 117 GLY HA2 H 1 3.889 0.020 . 2 . . . . 5 GLY HA2 . 11038 1 1146 . 1 1 117 117 GLY HA3 H 1 3.889 0.020 . 2 . . . . 5 GLY HA3 . 11038 1 1147 . 1 1 117 117 GLY C C 13 173.950 0.400 . 1 . . . . 5 GLY C . 11038 1 1148 . 1 1 118 118 ARG N N 15 120.552 0.400 . 1 . . . . 6 ARG N . 11038 1 1149 . 1 1 118 118 ARG H H 1 7.896 0.020 . 1 . . . . 6 ARG H . 11038 1 1150 . 1 1 118 118 ARG CA C 13 53.974 0.400 . 1 . . . . 6 ARG CA . 11038 1 1151 . 1 1 118 118 ARG HA H 1 4.276 0.020 . 1 . . . . 6 ARG HA . 11038 1 1152 . 1 1 118 118 ARG CB C 13 28.501 0.400 . 1 . . . . 6 ARG CB . 11038 1 1153 . 1 1 118 118 ARG HB2 H 1 1.726 0.020 . 2 . . . . 6 ARG HB2 . 11038 1 1154 . 1 1 118 118 ARG HB3 H 1 1.668 0.020 . 2 . . . . 6 ARG HB3 . 11038 1 1155 . 1 1 118 118 ARG HG2 H 1 1.581 0.020 . 2 . . . . 6 ARG HG2 . 11038 1 1156 . 1 1 118 118 ARG HG3 H 1 1.581 0.020 . 2 . . . . 6 ARG HG3 . 11038 1 1157 . 1 1 118 118 ARG C C 13 176.000 0.400 . 1 . . . . 6 ARG C . 11038 1 1158 . 1 1 119 119 ILE N N 15 123.548 0.400 . 1 . . . . 7 ILE N . 11038 1 1159 . 1 1 119 119 ILE H H 1 8.188 0.020 . 1 . . . . 7 ILE H . 11038 1 1160 . 1 1 119 119 ILE CA C 13 58.678 0.400 . 1 . . . . 7 ILE CA . 11038 1 1161 . 1 1 119 119 ILE HA H 1 4.044 0.020 . 1 . . . . 7 ILE HA . 11038 1 1162 . 1 1 119 119 ILE CB C 13 36.336 0.400 . 1 . . . . 7 ILE CB . 11038 1 1163 . 1 1 119 119 ILE HB H 1 1.732 0.020 . 1 . . . . 7 ILE HB . 11038 1 1164 . 1 1 119 119 ILE HG21 H 1 0.757 0.020 . 1 . . . . 7 ILE HG2 . 11038 1 1165 . 1 1 119 119 ILE HG22 H 1 0.757 0.020 . 1 . . . . 7 ILE HG2 . 11038 1 1166 . 1 1 119 119 ILE HG23 H 1 0.757 0.020 . 1 . . . . 7 ILE HG2 . 11038 1 1167 . 1 1 119 119 ILE CG2 C 13 15.195 0.400 . 1 . . . . 7 ILE CG2 . 11038 1 1168 . 1 1 119 119 ILE CG1 C 13 25.113 0.400 . 1 . . . . 7 ILE CG1 . 11038 1 1169 . 1 1 119 119 ILE HG12 H 1 1.375 0.020 . 2 . . . . 7 ILE HG12 . 11038 1 1170 . 1 1 119 119 ILE HG13 H 1 1.084 0.020 . 2 . . . . 7 ILE HG13 . 11038 1 1171 . 1 1 119 119 ILE HD11 H 1 0.745 0.020 . 1 . . . . 7 ILE HD1 . 11038 1 1172 . 1 1 119 119 ILE HD12 H 1 0.745 0.020 . 1 . . . . 7 ILE HD1 . 11038 1 1173 . 1 1 119 119 ILE HD13 H 1 0.745 0.020 . 1 . . . . 7 ILE HD1 . 11038 1 1174 . 1 1 119 119 ILE CD1 C 13 10.466 0.400 . 1 . . . . 7 ILE CD1 . 11038 1 1175 . 1 1 119 119 ILE C C 13 176.188 0.400 . 1 . . . . 7 ILE C . 11038 1 1176 . 1 1 120 120 VAL N N 15 125.619 0.400 . 1 . . . . 8 VAL N . 11038 1 1177 . 1 1 120 120 VAL H H 1 8.270 0.020 . 1 . . . . 8 VAL H . 11038 1 1178 . 1 1 120 120 VAL CA C 13 60.094 0.400 . 1 . . . . 8 VAL CA . 11038 1 1179 . 1 1 120 120 VAL HA H 1 4.147 0.020 . 1 . . . . 8 VAL HA . 11038 1 1180 . 1 1 120 120 VAL CB C 13 30.545 0.400 . 1 . . . . 8 VAL CB . 11038 1 1181 . 1 1 120 120 VAL HB H 1 2.003 0.020 . 1 . . . . 8 VAL HB . 11038 1 1182 . 1 1 120 120 VAL HG11 H 1 0.848 0.020 . 2 . . . . 8 VAL HG1 . 11038 1 1183 . 1 1 120 120 VAL HG12 H 1 0.848 0.020 . 2 . . . . 8 VAL HG1 . 11038 1 1184 . 1 1 120 120 VAL HG13 H 1 0.848 0.020 . 2 . . . . 8 VAL HG1 . 11038 1 1185 . 1 1 120 120 VAL CG1 C 13 18.325 0.400 . 1 . . . . 8 VAL CG1 . 11038 1 1186 . 1 1 120 120 VAL C C 13 176.208 0.400 . 1 . . . . 8 VAL C . 11038 1 1187 . 1 1 121 121 THR N N 15 118.036 0.400 . 1 . . . . 9 THR N . 11038 1 1188 . 1 1 121 121 THR H H 1 8.207 0.020 . 1 . . . . 9 THR H . 11038 1 1189 . 1 1 121 121 THR CA C 13 59.152 0.400 . 1 . . . . 9 THR CA . 11038 1 1190 . 1 1 121 121 THR HA H 1 4.355 0.020 . 1 . . . . 9 THR HA . 11038 1 1191 . 1 1 121 121 THR CB C 13 67.781 0.400 . 1 . . . . 9 THR CB . 11038 1 1192 . 1 1 121 121 THR HB H 1 4.226 0.020 . 1 . . . . 9 THR HB . 11038 1 1193 . 1 1 121 121 THR HG21 H 1 1.102 0.020 . 1 . . . . 9 THR HG2 . 11038 1 1194 . 1 1 121 121 THR HG22 H 1 1.102 0.020 . 1 . . . . 9 THR HG2 . 11038 1 1195 . 1 1 121 121 THR HG23 H 1 1.102 0.020 . 1 . . . . 9 THR HG2 . 11038 1 1196 . 1 1 121 121 THR C C 13 173.524 0.400 . 1 . . . . 9 THR C . 11038 1 1197 . 1 1 122 122 LEU N N 15 128.102 0.400 . 1 . . . . 10 LEU N . 11038 1 1198 . 1 1 122 122 LEU H H 1 7.877 0.020 . 1 . . . . 10 LEU H . 11038 1 1199 . 1 1 122 122 LEU CA C 13 53.760 0.400 . 1 . . . . 10 LEU CA . 11038 1 1200 . 1 1 122 122 LEU CB C 13 40.267 0.400 . 1 . . . . 10 LEU CB . 11038 1 stop_ save_