data_5590 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5590 _Entry.Title ; 1H, 13C and 15N resonance assignments of rice telomere binding domain from Oryza sativa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-15 _Entry.Accession_date 2002-11-15 _Entry.Last_release_date 2003-11-24 _Entry.Original_release_date 2003-11-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sung-gun Ko . . . 5590 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5590 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 5590 '15N chemical shifts' 115 5590 '1H chemical shifts' 527 5590 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 . . 2003-11-24 2002-11-15 original author . 5590 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5590 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22760842 _Citation.DOI . _Citation.PubMed_ID 12878845 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments of Rice Telomere Binding Domain from Oryza sativa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 1 _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 89 _Citation.Page_last 90 _Citation.Year 2003 _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 Sung-gun Ko . . . 5590 1 2 Joon Shin . . . 5590 1 3 Eun Yu . Yong . 5590 1 4 In Chung . Kwon . 5590 1 5 Toshiyuki Tanaka . . . 5590 1 6 Weontae Lee . . . 5590 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Myb_RTBP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Myb_RTBP1 _Assembly.Entry_ID 5590 _Assembly.ID 1 _Assembly.Name 'DNA-binding domain in RTBP1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5590 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DNA-binding domain in RTBP1' 1 $Myb_RTBP1 . . . native . . . . . 5590 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SWISS-PROT Q9LL45 . . . . . ; Residue 1 and 112-120 sequence that are a vector sequence, pGEX 4T-1, are attached in this structure studies. ; 5590 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA-binding domain in RTBP1' system 5590 1 Myb_RTBP1 abbreviation 5590 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding protein as homodimer' 5590 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Myb_RTBP1 _Entity.Sf_category entity _Entity.Sf_framecode Myb_RTBP1 _Entity.Entry_ID 5590 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Telomere binding protein-1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FPFADPNSLALANVPLSRSK RPDFGQRRIRRPFTVAEVEL LVEAVEHLGTGRWRDVKFRA FENVHHRTYVDLKDKWKTLV HTASIAPQQRRGAPVPQELL DRVLAAQAYWSVDSSGRIVT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13729.68 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The pI of this protein is 10.32' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 11038 . "The DNA binding domain of RTBP1" . . . . . 99.17 122 100.00 100.00 9.15e-80 . . . . 5590 1 2 no PDB 2ROH . "The Dna Binding Domain Of Rtbp1" . . . . . 99.17 122 100.00 100.00 9.15e-80 . . . . 5590 1 3 no GB AAF97508 . "telomere binding protein-1 [Oryza sativa]" . . . . . 91.67 633 100.00 100.00 2.30e-70 . . . . 5590 1 4 no GB EAY88030 . "hypothetical protein OsI_09453 [Oryza sativa Indica Group]" . . . . . 91.67 633 99.09 99.09 6.32e-69 . . . . 5590 1 5 no GB EAZ25089 . "hypothetical protein OsJ_08881 [Oryza sativa Japonica Group]" . . . . . 89.17 638 99.07 100.00 9.56e-67 . . . . 5590 1 6 no SP Q9LL45 . "RecName: Full=Telomere-binding protein 1; AltName: Full=Protein RTBP1 [Oryza sativa Japonica Group]" . . . . . 91.67 633 100.00 100.00 2.01e-70 . . . . 5590 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RTBP1 abbreviation 5590 1 'Telomere binding protein-1' common 5590 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 -1 PHE . 5590 1 2 506 PRO . 5590 1 3 507 PHE . 5590 1 4 508 ALA . 5590 1 5 509 ASP . 5590 1 6 510 PRO . 5590 1 7 511 ASN . 5590 1 8 512 SER . 5590 1 9 513 LEU . 5590 1 10 514 ALA . 5590 1 11 515 LEU . 5590 1 12 516 ALA . 5590 1 13 517 ASN . 5590 1 14 518 VAL . 5590 1 15 519 PRO . 5590 1 16 520 LEU . 5590 1 17 521 SER . 5590 1 18 522 ARG . 5590 1 19 523 SER . 5590 1 20 524 LYS . 5590 1 21 525 ARG . 5590 1 22 526 PRO . 5590 1 23 527 ASP . 5590 1 24 528 PHE . 5590 1 25 529 GLY . 5590 1 26 530 GLN . 5590 1 27 531 ARG . 5590 1 28 532 ARG . 5590 1 29 533 ILE . 5590 1 30 534 ARG . 5590 1 31 535 ARG . 5590 1 32 536 PRO . 5590 1 33 537 PHE . 5590 1 34 538 THR . 5590 1 35 539 VAL . 5590 1 36 540 ALA . 5590 1 37 541 GLU . 5590 1 38 542 VAL . 5590 1 39 543 GLU . 5590 1 40 544 LEU . 5590 1 41 545 LEU . 5590 1 42 546 VAL . 5590 1 43 547 GLU . 5590 1 44 548 ALA . 5590 1 45 549 VAL . 5590 1 46 550 GLU . 5590 1 47 551 HIS . 5590 1 48 552 LEU . 5590 1 49 553 GLY . 5590 1 50 554 THR . 5590 1 51 555 GLY . 5590 1 52 556 ARG . 5590 1 53 557 TRP . 5590 1 54 558 ARG . 5590 1 55 559 ASP . 5590 1 56 560 VAL . 5590 1 57 561 LYS . 5590 1 58 562 PHE . 5590 1 59 563 ARG . 5590 1 60 564 ALA . 5590 1 61 565 PHE . 5590 1 62 566 GLU . 5590 1 63 567 ASN . 5590 1 64 568 VAL . 5590 1 65 569 HIS . 5590 1 66 570 HIS . 5590 1 67 571 ARG . 5590 1 68 572 THR . 5590 1 69 573 TYR . 5590 1 70 574 VAL . 5590 1 71 575 ASP . 5590 1 72 576 LEU . 5590 1 73 577 LYS . 5590 1 74 578 ASP . 5590 1 75 579 LYS . 5590 1 76 580 TRP . 5590 1 77 581 LYS . 5590 1 78 582 THR . 5590 1 79 583 LEU . 5590 1 80 584 VAL . 5590 1 81 585 HIS . 5590 1 82 586 THR . 5590 1 83 587 ALA . 5590 1 84 588 SER . 5590 1 85 589 ILE . 5590 1 86 590 ALA . 5590 1 87 591 PRO . 5590 1 88 592 GLN . 5590 1 89 593 GLN . 5590 1 90 594 ARG . 5590 1 91 595 ARG . 5590 1 92 596 GLY . 5590 1 93 597 ALA . 5590 1 94 598 PRO . 5590 1 95 599 VAL . 5590 1 96 600 PRO . 5590 1 97 601 GLN . 5590 1 98 602 GLU . 5590 1 99 603 LEU . 5590 1 100 604 LEU . 5590 1 101 605 ASP . 5590 1 102 606 ARG . 5590 1 103 607 VAL . 5590 1 104 608 LEU . 5590 1 105 609 ALA . 5590 1 106 610 ALA . 5590 1 107 611 GLN . 5590 1 108 612 ALA . 5590 1 109 613 TYR . 5590 1 110 614 TRP . 5590 1 111 615 SER . 5590 1 112 +1 VAL . 5590 1 113 +2 ASP . 5590 1 114 +3 SER . 5590 1 115 +4 SER . 5590 1 116 +5 GLY . 5590 1 117 +6 ARG . 5590 1 118 +7 ILE . 5590 1 119 +8 VAL . 5590 1 120 +9 THR . 5590 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 . PHE 1 1 5590 1 . PRO 2 2 5590 1 . PHE 3 3 5590 1 . ALA 4 4 5590 1 . ASP 5 5 5590 1 . PRO 6 6 5590 1 . ASN 7 7 5590 1 . SER 8 8 5590 1 . LEU 9 9 5590 1 . ALA 10 10 5590 1 . LEU 11 11 5590 1 . ALA 12 12 5590 1 . ASN 13 13 5590 1 . VAL 14 14 5590 1 . PRO 15 15 5590 1 . LEU 16 16 5590 1 . SER 17 17 5590 1 . ARG 18 18 5590 1 . SER 19 19 5590 1 . LYS 20 20 5590 1 . ARG 21 21 5590 1 . PRO 22 22 5590 1 . ASP 23 23 5590 1 . PHE 24 24 5590 1 . GLY 25 25 5590 1 . GLN 26 26 5590 1 . ARG 27 27 5590 1 . ARG 28 28 5590 1 . ILE 29 29 5590 1 . ARG 30 30 5590 1 . ARG 31 31 5590 1 . PRO 32 32 5590 1 . PHE 33 33 5590 1 . THR 34 34 5590 1 . VAL 35 35 5590 1 . ALA 36 36 5590 1 . GLU 37 37 5590 1 . VAL 38 38 5590 1 . GLU 39 39 5590 1 . LEU 40 40 5590 1 . LEU 41 41 5590 1 . VAL 42 42 5590 1 . GLU 43 43 5590 1 . ALA 44 44 5590 1 . VAL 45 45 5590 1 . GLU 46 46 5590 1 . HIS 47 47 5590 1 . LEU 48 48 5590 1 . GLY 49 49 5590 1 . THR 50 50 5590 1 . GLY 51 51 5590 1 . ARG 52 52 5590 1 . TRP 53 53 5590 1 . ARG 54 54 5590 1 . ASP 55 55 5590 1 . VAL 56 56 5590 1 . LYS 57 57 5590 1 . PHE 58 58 5590 1 . ARG 59 59 5590 1 . ALA 60 60 5590 1 . PHE 61 61 5590 1 . GLU 62 62 5590 1 . ASN 63 63 5590 1 . VAL 64 64 5590 1 . HIS 65 65 5590 1 . HIS 66 66 5590 1 . ARG 67 67 5590 1 . THR 68 68 5590 1 . TYR 69 69 5590 1 . VAL 70 70 5590 1 . ASP 71 71 5590 1 . LEU 72 72 5590 1 . LYS 73 73 5590 1 . ASP 74 74 5590 1 . LYS 75 75 5590 1 . TRP 76 76 5590 1 . LYS 77 77 5590 1 . THR 78 78 5590 1 . LEU 79 79 5590 1 . VAL 80 80 5590 1 . HIS 81 81 5590 1 . THR 82 82 5590 1 . ALA 83 83 5590 1 . SER 84 84 5590 1 . ILE 85 85 5590 1 . ALA 86 86 5590 1 . PRO 87 87 5590 1 . GLN 88 88 5590 1 . GLN 89 89 5590 1 . ARG 90 90 5590 1 . ARG 91 91 5590 1 . GLY 92 92 5590 1 . ALA 93 93 5590 1 . PRO 94 94 5590 1 . VAL 95 95 5590 1 . PRO 96 96 5590 1 . GLN 97 97 5590 1 . GLU 98 98 5590 1 . LEU 99 99 5590 1 . LEU 100 100 5590 1 . ASP 101 101 5590 1 . ARG 102 102 5590 1 . VAL 103 103 5590 1 . LEU 104 104 5590 1 . ALA 105 105 5590 1 . ALA 106 106 5590 1 . GLN 107 107 5590 1 . ALA 108 108 5590 1 . TYR 109 109 5590 1 . TRP 110 110 5590 1 . SER 111 111 5590 1 . VAL 112 112 5590 1 . ASP 113 113 5590 1 . SER 114 114 5590 1 . SER 115 115 5590 1 . GLY 116 116 5590 1 . ARG 117 117 5590 1 . ILE 118 118 5590 1 . VAL 119 119 5590 1 . THR 120 120 5590 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 5590 _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 $Myb_RTBP1 . 4530 . . 'Oryza sativa' Rice . . Eukaryota Viridiplantae Oryza sativa . . . . . . . . . . . . . . . . . . . . . 5590 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 5590 _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 $Myb_RTBP1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5590 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Telomere binding protein-1' '[U-100% 15N]' . . 1 $Myb_RTBP1 . . 1 . . mM . . . . 5590 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5590 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Telomere binding protein-1' '[U-100% 13C; U-100% 15N]' . . 1 $Myb_RTBP1 . . 1 . . mM . . . . 5590 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5590 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 n/a 5590 1 temperature 303 1 K 5590 1 stop_ save_ ############################ # Computer software used # ############################ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 5590 _Software.ID 1 _Software.Name SPARKY _Software.Version 2.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5590 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5590 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5590 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5590 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 5590 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5590 1 3 NMR_spectrometer_3 Varian INOVA . 500 . . . 5590 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 5590 _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 '15N-NOESY HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 4 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 6 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 7 '15N-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 8 '13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5590 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N-NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N-edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5590 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5590 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5590 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5590 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5590 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5590 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5590 1 . . 2 $sample_2 . 5590 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 2 2 PRO HA H 1 4.44 0.0068 . 1 . . . . . . . . 5590 1 2 . 1 1 2 2 PRO HB2 H 1 2.25 0.0068 . 2 . . . . . . . . 5590 1 3 . 1 1 2 2 PRO HG2 H 1 2.02 0.0068 . 2 . . . . . . . . 5590 1 4 . 1 1 2 2 PRO HD2 H 1 3.86 0.0068 . 2 . . . . . . . . 5590 1 5 . 1 1 2 2 PRO C C 13 176.52 0.156 . 1 . . . . . . . . 5590 1 6 . 1 1 2 2 PRO CA C 13 61.25 0.156 . 1 . . . . . . . . 5590 1 7 . 1 1 2 2 PRO CB C 13 29.67 0.156 . 1 . . . . . . . . 5590 1 8 . 1 1 2 2 PRO CG C 13 25.5 0.156 . 1 . . . . . . . . 5590 1 9 . 1 1 2 2 PRO CD C 13 49.39 0.156 . 1 . . . . . . . . 5590 1 10 . 1 1 3 3 PHE H H 1 8.017 0.0068 . 1 . . . . . . . . 5590 1 11 . 1 1 3 3 PHE HA H 1 4.6 0.0068 . 1 . . . . . . . . 5590 1 12 . 1 1 3 3 PHE HB2 H 1 3.13 0.0068 . 2 . . . . . . . . 5590 1 13 . 1 1 3 3 PHE C C 13 176.2 0.156 . 1 . . . . . . . . 5590 1 14 . 1 1 3 3 PHE CA C 13 55.3 0.156 . 1 . . . . . . . . 5590 1 15 . 1 1 3 3 PHE CB C 13 36.81 0.156 . 1 . . . . . . . . 5590 1 16 . 1 1 3 3 PHE N N 15 119.19 0.158 . 1 . . . . . . . . 5590 1 17 . 1 1 4 4 ALA H H 1 7.96 0.0068 . 1 . . . . . . . . 5590 1 18 . 1 1 4 4 ALA HA H 1 4.27 0.0068 . 1 . . . . . . . . 5590 1 19 . 1 1 4 4 ALA HB1 H 1 1.28 0.0068 . 1 . . . . . . . . 5590 1 20 . 1 1 4 4 ALA HB2 H 1 1.28 0.0068 . 1 . . . . . . . . 5590 1 21 . 1 1 4 4 ALA HB3 H 1 1.28 0.0068 . 1 . . . . . . . . 5590 1 22 . 1 1 4 4 ALA C C 13 175.56 0.156 . 1 . . . . . . . . 5590 1 23 . 1 1 4 4 ALA CA C 13 50.1 0.156 . 1 . . . . . . . . 5590 1 24 . 1 1 4 4 ALA CB C 13 17.26 0.156 . 1 . . . . . . . . 5590 1 25 . 1 1 4 4 ALA N N 15 125.33 0.158 . 1 . . . . . . . . 5590 1 26 . 1 1 5 5 ASP H H 1 7.96 0.156 . 1 . . . . . . . . 5590 1 27 . 1 1 5 5 ASP HA H 1 4.76 0.156 . 1 . . . . . . . . 5590 1 28 . 1 1 5 5 ASP HB2 H 1 2.53 0.156 . 2 . . . . . . . . 5590 1 29 . 1 1 5 5 ASP CA C 13 49.84 0.156 . 1 . . . . . . . . 5590 1 30 . 1 1 5 5 ASP CB C 13 39.33 0.156 . 1 . . . . . . . . 5590 1 31 . 1 1 5 5 ASP N N 15 121.17 0.158 . 1 . . . . . . . . 5590 1 32 . 1 1 6 6 PRO HA H 1 4.37 0.0068 . 1 . . . . . . . . 5590 1 33 . 1 1 6 6 PRO HB2 H 1 2.15 0.0068 . 2 . . . . . . . . 5590 1 34 . 1 1 6 6 PRO HG2 H 1 1.95 0.0068 . 2 . . . . . . . . 5590 1 35 . 1 1 6 6 PRO HD2 H 1 3.47 0.0068 . 2 . . . . . . . . 5590 1 36 . 1 1 6 6 PRO C C 13 177.53 0.156 . 1 . . . . . . . . 5590 1 37 . 1 1 6 6 PRO CA C 13 62.02 0.156 . 1 . . . . . . . . 5590 1 38 . 1 1 6 6 PRO CB C 13 29.95 0.156 . 1 . . . . . . . . 5590 1 39 . 1 1 6 6 PRO CG C 13 25.59 0.156 . 1 . . . . . . . . 5590 1 40 . 1 1 6 6 PRO CD C 13 48.59 0.156 . 1 . . . . . . . . 5590 1 41 . 1 1 7 7 ASN H H 1 8.52 0.0068 . 1 . . . . . . . . 5590 1 42 . 1 1 7 7 ASN HA H 1 5.128 0.0068 . 1 . . . . . . . . 5590 1 43 . 1 1 7 7 ASN HB2 H 1 2.74 0.0068 . 2 . . . . . . . . 5590 1 44 . 1 1 7 7 ASN HD22 H 1 6.9 0.0068 . 1 . . . . . . . . 5590 1 45 . 1 1 7 7 ASN HD21 H 1 7.567 0.0068 . 1 . . . . . . . . 5590 1 46 . 1 1 7 7 ASN C C 13 175.81 0.156 . 1 . . . . . . . . 5590 1 47 . 1 1 7 7 ASN CA C 13 51.94 0.156 . 1 . . . . . . . . 5590 1 48 . 1 1 7 7 ASN CB C 13 36.46 0.156 . 1 . . . . . . . . 5590 1 49 . 1 1 7 7 ASN N N 15 116.98 0.158 . 1 . . . . . . . . 5590 1 50 . 1 1 7 7 ASN ND2 N 15 113.5 0.158 . 2 . . . . . . . . 5590 1 51 . 1 1 8 8 SER H H 1 7.95 0.0068 . 1 . . . . . . . . 5590 1 52 . 1 1 8 8 SER HA H 1 4.54 0.0068 . 1 . . . . . . . . 5590 1 53 . 1 1 8 8 SER HB2 H 1 4.07 0.0068 . 2 . . . . . . . . 5590 1 54 . 1 1 8 8 SER C C 13 174.75 0.156 . 1 . . . . . . . . 5590 1 55 . 1 1 8 8 SER CA C 13 57.4 0.156 . 1 . . . . . . . . 5590 1 56 . 1 1 8 8 SER CB C 13 61.4 0.156 . 1 . . . . . . . . 5590 1 57 . 1 1 8 8 SER N N 15 115.57 0.158 . 1 . . . . . . . . 5590 1 58 . 1 1 9 9 LEU H H 1 8 0.0068 . 1 . . . . . . . . 5590 1 59 . 1 1 9 9 LEU HA H 1 4.31 0.0068 . 1 . . . . . . . . 5590 1 60 . 1 1 9 9 LEU HB2 H 1 1.52 0.0068 . 2 . . . . . . . . 5590 1 61 . 1 1 9 9 LEU HD11 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 62 . 1 1 9 9 LEU HD12 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 63 . 1 1 9 9 LEU HD13 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 64 . 1 1 9 9 LEU C C 13 177.48 0.156 . 1 . . . . . . . . 5590 1 65 . 1 1 9 9 LEU CA C 13 53.35 0.156 . 1 . . . . . . . . 5590 1 66 . 1 1 9 9 LEU CB C 13 40.43 0.156 . 1 . . . . . . . . 5590 1 67 . 1 1 9 9 LEU CD1 C 13 22.59 0.156 . 2 . . . . . . . . 5590 1 68 . 1 1 9 9 LEU N N 15 123.31 0.158 . 1 . . . . . . . . 5590 1 69 . 1 1 10 10 ALA H H 1 8.02 0.0068 . 1 . . . . . . . . 5590 1 70 . 1 1 10 10 ALA HA H 1 4.05 0.0068 . 1 . . . . . . . . 5590 1 71 . 1 1 10 10 ALA HB1 H 1 1.46 0.0068 . 1 . . . . . . . . 5590 1 72 . 1 1 10 10 ALA HB2 H 1 1.46 0.0068 . 1 . . . . . . . . 5590 1 73 . 1 1 10 10 ALA HB3 H 1 1.46 0.0068 . 1 . . . . . . . . 5590 1 74 . 1 1 10 10 ALA C C 13 178.01 0.156 . 1 . . . . . . . . 5590 1 75 . 1 1 10 10 ALA CA C 13 50.04 0.156 . 1 . . . . . . . . 5590 1 76 . 1 1 10 10 ALA CB C 13 16.8 0.156 . 1 . . . . . . . . 5590 1 77 . 1 1 10 10 ALA N N 15 123.45 0.158 . 1 . . . . . . . . 5590 1 78 . 1 1 11 11 LEU H H 1 7.91 0.0068 . 1 . . . . . . . . 5590 1 79 . 1 1 11 11 LEU HA H 1 4.31 0.0068 . 1 . . . . . . . . 5590 1 80 . 1 1 11 11 LEU HB2 H 1 1.59 0.0068 . 2 . . . . . . . . 5590 1 81 . 1 1 11 11 LEU HD11 H 1 0.84 0.0068 . 2 . . . . . . . . 5590 1 82 . 1 1 11 11 LEU HD12 H 1 0.84 0.0068 . 2 . . . . . . . . 5590 1 83 . 1 1 11 11 LEU HD13 H 1 0.84 0.0068 . 2 . . . . . . . . 5590 1 84 . 1 1 11 11 LEU C C 13 177.31 0.156 . 1 . . . . . . . . 5590 1 85 . 1 1 11 11 LEU CA C 13 52.5 0.156 . 1 . . . . . . . . 5590 1 86 . 1 1 11 11 LEU CB C 13 39.9 0.156 . 1 . . . . . . . . 5590 1 87 . 1 1 11 11 LEU CD1 C 13 22.59 0.156 . 2 . . . . . . . . 5590 1 88 . 1 1 11 11 LEU N N 15 120.1 0.158 . 1 . . . . . . . . 5590 1 89 . 1 1 12 12 ALA H H 1 8.01 0.0068 . 1 . . . . . . . . 5590 1 90 . 1 1 12 12 ALA HA H 1 4.28 0.0068 . 1 . . . . . . . . 5590 1 91 . 1 1 12 12 ALA HB1 H 1 1.27 0.0068 . 1 . . . . . . . . 5590 1 92 . 1 1 12 12 ALA HB2 H 1 1.27 0.0068 . 1 . . . . . . . . 5590 1 93 . 1 1 12 12 ALA HB3 H 1 1.27 0.0068 . 1 . . . . . . . . 5590 1 94 . 1 1 12 12 ALA C C 13 177.5 0.156 . 1 . . . . . . . . 5590 1 95 . 1 1 12 12 ALA CA C 13 49.28 0.156 . 1 . . . . . . . . 5590 1 96 . 1 1 12 12 ALA CB C 13 17.85 0.156 . 1 . . . . . . . . 5590 1 97 . 1 1 12 12 ALA N N 15 123.17 0.158 . 1 . . . . . . . . 5590 1 98 . 1 1 13 13 ASN H H 1 8.24 0.0068 . 1 . . . . . . . . 5590 1 99 . 1 1 13 13 ASN HA H 1 5.082 0.0068 . 1 . . . . . . . . 5590 1 100 . 1 1 13 13 ASN HB2 H 1 2.58 0.0068 . 2 . . . . . . . . 5590 1 101 . 1 1 13 13 ASN HD22 H 1 6.964 0.0068 . 1 . . . . . . . . 5590 1 102 . 1 1 13 13 ASN HD21 H 1 7.641 0.0068 . 1 . . . . . . . . 5590 1 103 . 1 1 13 13 ASN C C 13 174.71 0.156 . 1 . . . . . . . . 5590 1 104 . 1 1 13 13 ASN CA C 13 51.17 0.156 . 1 . . . . . . . . 5590 1 105 . 1 1 13 13 ASN CB C 13 36.74 0.156 . 1 . . . . . . . . 5590 1 106 . 1 1 13 13 ASN N N 15 117.11 0.158 . 1 . . . . . . . . 5590 1 107 . 1 1 13 13 ASN ND2 N 15 112.3 0.158 . 1 . . . . . . . . 5590 1 108 . 1 1 14 14 VAL H H 1 7.87 0.0068 . 1 . . . . . . . . 5590 1 109 . 1 1 14 14 VAL HA H 1 4.23 0.0068 . 1 . . . . . . . . 5590 1 110 . 1 1 14 14 VAL HB H 1 2.15 0.0068 . 1 . . . . . . . . 5590 1 111 . 1 1 14 14 VAL HG11 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 112 . 1 1 14 14 VAL HG12 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 113 . 1 1 14 14 VAL HG13 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 114 . 1 1 14 14 VAL CA C 13 57.42 0.156 . 1 . . . . . . . . 5590 1 115 . 1 1 14 14 VAL CB C 13 30.26 0.156 . 1 . . . . . . . . 5590 1 116 . 1 1 14 14 VAL CG1 C 13 19.59 0.156 . 2 . . . . . . . . 5590 1 117 . 1 1 14 14 VAL N N 15 121.33 0.158 . 1 . . . . . . . . 5590 1 118 . 1 1 15 15 PRO HA H 1 4.38 0.0068 . 1 . . . . . . . . 5590 1 119 . 1 1 15 15 PRO HB2 H 1 2.15 0.0068 . 2 . . . . . . . . 5590 1 120 . 1 1 15 15 PRO HG2 H 1 1.93 0.0068 . 2 . . . . . . . . 5590 1 121 . 1 1 15 15 PRO HD2 H 1 3.32 0.0068 . 2 . . . . . . . . 5590 1 122 . 1 1 15 15 PRO C C 13 176.79 0.156 . 1 . . . . . . . . 5590 1 123 . 1 1 15 15 PRO CA C 13 60.89 0.156 . 1 . . . . . . . . 5590 1 124 . 1 1 15 15 PRO CB C 13 29.99 0.156 . 1 . . . . . . . . 5590 1 125 . 1 1 15 15 PRO CG C 13 25.59 0.156 . 1 . . . . . . . . 5590 1 126 . 1 1 15 15 PRO CD C 13 48.01 0.156 . 1 . . . . . . . . 5590 1 127 . 1 1 16 16 LEU H H 1 8.29 0.0068 . 1 . . . . . . . . 5590 1 128 . 1 1 16 16 LEU HA H 1 3.93 0.0068 . 1 . . . . . . . . 5590 1 129 . 1 1 16 16 LEU HB2 H 1 1.69 0.0068 . 2 . . . . . . . . 5590 1 130 . 1 1 16 16 LEU HD11 H 1 0.92 0.0068 . 2 . . . . . . . . 5590 1 131 . 1 1 16 16 LEU HD12 H 1 0.92 0.0068 . 2 . . . . . . . . 5590 1 132 . 1 1 16 16 LEU HD13 H 1 0.92 0.0068 . 2 . . . . . . . . 5590 1 133 . 1 1 16 16 LEU C C 13 177.43 0.156 . 1 . . . . . . . . 5590 1 134 . 1 1 16 16 LEU CA C 13 52.5 0.156 . 1 . . . . . . . . 5590 1 135 . 1 1 16 16 LEU CB C 13 40.37 0.156 . 1 . . . . . . . . 5590 1 136 . 1 1 16 16 LEU CD1 C 13 22.76 0.156 . 2 . . . . . . . . 5590 1 137 . 1 1 16 16 LEU N N 15 122.46 0.158 . 1 . . . . . . . . 5590 1 138 . 1 1 17 17 SER H H 1 8.23 0.0068 . 1 . . . . . . . . 5590 1 139 . 1 1 17 17 SER HA H 1 4.44 0.0068 . 1 . . . . . . . . 5590 1 140 . 1 1 17 17 SER HB2 H 1 3.82 0.0068 . 2 . . . . . . . . 5590 1 141 . 1 1 17 17 SER C C 13 173.51 0.156 . 1 . . . . . . . . 5590 1 142 . 1 1 17 17 SER CA C 13 56.07 0.156 . 1 . . . . . . . . 5590 1 143 . 1 1 17 17 SER CB C 13 61.52 0.156 . 1 . . . . . . . . 5590 1 144 . 1 1 17 17 SER N N 15 117.02 0.158 . 1 . . . . . . . . 5590 1 145 . 1 1 18 18 ARG H H 1 7.97 0.0068 . 1 . . . . . . . . 5590 1 146 . 1 1 18 18 ARG N N 15 128.1 0.158 . 1 . . . . . . . . 5590 1 147 . 1 1 20 20 LYS C C 13 176.36 0.156 . 1 . . . . . . . . 5590 1 148 . 1 1 21 21 ARG H H 1 8.4 0.0068 . 1 . . . . . . . . 5590 1 149 . 1 1 21 21 ARG HA H 1 4.56 0.0068 . 1 . . . . . . . . 5590 1 150 . 1 1 21 21 ARG HB2 H 1 1.81 0.0068 . 2 . . . . . . . . 5590 1 151 . 1 1 21 21 ARG HD2 H 1 3.17 0.0068 . 2 . . . . . . . . 5590 1 152 . 1 1 21 21 ARG CA C 13 52.67 0.156 . 1 . . . . . . . . 5590 1 153 . 1 1 21 21 ARG CB C 13 27.94 0.156 . 1 . . . . . . . . 5590 1 154 . 1 1 21 21 ARG CD C 13 41.42 0.156 . 1 . . . . . . . . 5590 1 155 . 1 1 21 21 ARG N N 15 123.95 0.158 . 1 . . . . . . . . 5590 1 156 . 1 1 22 22 PRO HA H 1 3.39 0.0068 . 1 . . . . . . . . 5590 1 157 . 1 1 22 22 PRO HB2 H 1 2.13 0.0068 . 2 . . . . . . . . 5590 1 158 . 1 1 22 22 PRO HG2 H 1 1.97 0.0068 . 2 . . . . . . . . 5590 1 159 . 1 1 22 22 PRO HD2 H 1 3.82 0.0068 . 2 . . . . . . . . 5590 1 160 . 1 1 22 22 PRO C C 13 176.24 0.156 . 1 . . . . . . . . 5590 1 161 . 1 1 22 22 PRO CA C 13 61.03 0.156 . 1 . . . . . . . . 5590 1 162 . 1 1 22 22 PRO CB C 13 29.99 0.156 . 1 . . . . . . . . 5590 1 163 . 1 1 22 22 PRO CG C 13 25.89 0.156 . 1 . . . . . . . . 5590 1 164 . 1 1 22 22 PRO CD C 13 49.39 0.156 . 1 . . . . . . . . 5590 1 165 . 1 1 23 23 ASP H H 1 8.28 0.0068 . 1 . . . . . . . . 5590 1 166 . 1 1 23 23 ASP HA H 1 5.07 0.0068 . 1 . . . . . . . . 5590 1 167 . 1 1 23 23 ASP HB2 H 1 2.47 0.0068 . 2 . . . . . . . . 5590 1 168 . 1 1 23 23 ASP C C 13 176.17 0.156 . 1 . . . . . . . . 5590 1 169 . 1 1 23 23 ASP CA C 13 51.14 0.156 . 1 . . . . . . . . 5590 1 170 . 1 1 23 23 ASP CB C 13 39.11 0.156 . 1 . . . . . . . . 5590 1 171 . 1 1 23 23 ASP N N 15 119.82 0.158 . 1 . . . . . . . . 5590 1 172 . 1 1 24 24 PHE H H 1 8.15 0.0068 . 1 . . . . . . . . 5590 1 173 . 1 1 24 24 PHE HA H 1 4.53 0.0068 . 1 . . . . . . . . 5590 1 174 . 1 1 24 24 PHE HB2 H 1 3.01 0.0068 . 2 . . . . . . . . 5590 1 175 . 1 1 24 24 PHE C C 13 176.5 0.156 . 1 . . . . . . . . 5590 1 176 . 1 1 24 24 PHE CA C 13 55.86 0.156 . 1 . . . . . . . . 5590 1 177 . 1 1 24 24 PHE CB C 13 37.59 0.156 . 1 . . . . . . . . 5590 1 178 . 1 1 24 24 PHE N N 15 120.89 0.158 . 1 . . . . . . . . 5590 1 179 . 1 1 25 25 GLY H H 1 8.43 0.0068 . 1 . . . . . . . . 5590 1 180 . 1 1 25 25 GLY HA2 H 1 3.88 0.0068 . 2 . . . . . . . . 5590 1 181 . 1 1 25 25 GLY C C 13 174.31 0.156 . 1 . . . . . . . . 5590 1 182 . 1 1 25 25 GLY CA C 13 43.14 0.156 . 1 . . . . . . . . 5590 1 183 . 1 1 25 25 GLY N N 15 110.04 0.158 . 1 . . . . . . . . 5590 1 184 . 1 1 26 26 GLN H H 1 8.14 0.0068 . 1 . . . . . . . . 5590 1 185 . 1 1 26 26 GLN HA H 1 4.343 0.0068 . 1 . . . . . . . . 5590 1 186 . 1 1 26 26 GLN HB2 H 1 2.111 0.0068 . 2 . . . . . . . . 5590 1 187 . 1 1 26 26 GLN HG2 H 1 2.365 0.0068 . 2 . . . . . . . . 5590 1 188 . 1 1 26 26 GLN HE22 H 1 6.964 0.0068 . 1 . . . . . . . . 5590 1 189 . 1 1 26 26 GLN HE21 H 1 7.794 0.0068 . 1 . . . . . . . . 5590 1 190 . 1 1 26 26 GLN C C 13 176.17 0.156 . 1 . . . . . . . . 5590 1 191 . 1 1 26 26 GLN CA C 13 53.91 0.156 . 1 . . . . . . . . 5590 1 192 . 1 1 26 26 GLN CB C 13 27.11 0.156 . 1 . . . . . . . . 5590 1 193 . 1 1 26 26 GLN CG C 13 32.59 0.156 . 1 . . . . . . . . 5590 1 194 . 1 1 26 26 GLN N N 15 119.76 0.158 . 1 . . . . . . . . 5590 1 195 . 1 1 26 26 GLN NE2 N 15 114 0.158 . 1 . . . . . . . . 5590 1 196 . 1 1 27 27 ARG H H 1 8.31 0.0068 . 1 . . . . . . . . 5590 1 197 . 1 1 27 27 ARG HA H 1 4.16 0.0068 . 1 . . . . . . . . 5590 1 198 . 1 1 27 27 ARG HB2 H 1 1.72 0.0068 . 2 . . . . . . . . 5590 1 199 . 1 1 27 27 ARG HG2 H 1 1.6 0.0068 . 2 . . . . . . . . 5590 1 200 . 1 1 27 27 ARG HD2 H 1 3.13 0.0068 . 2 . . . . . . . . 5590 1 201 . 1 1 27 27 ARG C C 13 176.13 0.156 . 1 . . . . . . . . 5590 1 202 . 1 1 27 27 ARG CA C 13 54.8 0.156 . 1 . . . . . . . . 5590 1 203 . 1 1 27 27 ARG CB C 13 28.56 0.156 . 1 . . . . . . . . 5590 1 204 . 1 1 27 27 ARG CG C 13 26.11 0.156 . 1 . . . . . . . . 5590 1 205 . 1 1 27 27 ARG CD C 13 41.41 0.156 . 1 . . . . . . . . 5590 1 206 . 1 1 27 27 ARG N N 15 121.94 0.158 . 1 . . . . . . . . 5590 1 207 . 1 1 28 28 ARG H H 1 8.35 0.0068 . 1 . . . . . . . . 5590 1 208 . 1 1 28 28 ARG HA H 1 4.31 0.0068 . 1 . . . . . . . . 5590 1 209 . 1 1 28 28 ARG HB2 H 1 1.73 0.0068 . 2 . . . . . . . . 5590 1 210 . 1 1 28 28 ARG HG2 H 1 1.59 0.0068 . 2 . . . . . . . . 5590 1 211 . 1 1 28 28 ARG HD2 H 1 3.1 0.0068 . 2 . . . . . . . . 5590 1 212 . 1 1 28 28 ARG C C 13 175.93 0.156 . 1 . . . . . . . . 5590 1 213 . 1 1 28 28 ARG CA C 13 53.91 0.156 . 1 . . . . . . . . 5590 1 214 . 1 1 28 28 ARG CB C 13 28.71 0.156 . 1 . . . . . . . . 5590 1 215 . 1 1 28 28 ARG CG C 13 25.78 0.156 . 1 . . . . . . . . 5590 1 216 . 1 1 28 28 ARG CD C 13 41.43 0.156 . 1 . . . . . . . . 5590 1 217 . 1 1 28 28 ARG N N 15 122.59 0.158 . 1 . . . . . . . . 5590 1 218 . 1 1 29 29 ILE H H 1 8.21 0.0068 . 1 . . . . . . . . 5590 1 219 . 1 1 29 29 ILE HA H 1 4.37 0.0068 . 1 . . . . . . . . 5590 1 220 . 1 1 29 29 ILE HB H 1 1.78 0.0068 . 1 . . . . . . . . 5590 1 221 . 1 1 29 29 ILE HG12 H 1 1.38 0.0068 . 2 . . . . . . . . 5590 1 222 . 1 1 29 29 ILE HD11 H 1 0.8 0.0068 . 1 . . . . . . . . 5590 1 223 . 1 1 29 29 ILE HD12 H 1 0.8 0.0068 . 1 . . . . . . . . 5590 1 224 . 1 1 29 29 ILE HD13 H 1 0.8 0.0068 . 1 . . . . . . . . 5590 1 225 . 1 1 29 29 ILE C C 13 176.01 0.156 . 1 . . . . . . . . 5590 1 226 . 1 1 29 29 ILE CA C 13 58.72 0.156 . 1 . . . . . . . . 5590 1 227 . 1 1 29 29 ILE CB C 13 36.21 0.156 . 1 . . . . . . . . 5590 1 228 . 1 1 29 29 ILE CD1 C 13 16.22 0.156 . 2 . . . . . . . . 5590 1 229 . 1 1 29 29 ILE N N 15 122.7 0.158 . 1 . . . . . . . . 5590 1 230 . 1 1 30 30 ARG H H 1 8.48 0.0068 . 1 . . . . . . . . 5590 1 231 . 1 1 30 30 ARG HA H 1 4.44 0.0068 . 1 . . . . . . . . 5590 1 232 . 1 1 30 30 ARG HB2 H 1 1.792 0.0068 . 2 . . . . . . . . 5590 1 233 . 1 1 30 30 ARG HG2 H 1 1.68 0.0068 . 2 . . . . . . . . 5590 1 234 . 1 1 30 30 ARG HD2 H 1 3.23 0.0068 . 2 . . . . . . . . 5590 1 235 . 1 1 30 30 ARG C C 13 184.26 0.156 . 1 . . . . . . . . 5590 1 236 . 1 1 30 30 ARG CA C 13 53.58 0.156 . 1 . . . . . . . . 5590 1 237 . 1 1 30 30 ARG CB C 13 28.79 0.156 . 1 . . . . . . . . 5590 1 238 . 1 1 30 30 ARG CG C 13 25 0.156 . 1 . . . . . . . . 5590 1 239 . 1 1 30 30 ARG CD C 13 41.12 0.156 . 1 . . . . . . . . 5590 1 240 . 1 1 30 30 ARG N N 15 126.63 0.158 . 1 . . . . . . . . 5590 1 241 . 1 1 31 31 ARG H H 1 8.55 0.0068 . 1 . . . . . . . . 5590 1 242 . 1 1 31 31 ARG HA H 1 4.269 0.0068 . 1 . . . . . . . . 5590 1 243 . 1 1 31 31 ARG HB2 H 1 2.17 0.0068 . 2 . . . . . . . . 5590 1 244 . 1 1 31 31 ARG HG2 H 1 1.868 0.0068 . 2 . . . . . . . . 5590 1 245 . 1 1 31 31 ARG HD2 H 1 3.4 0.0068 . 2 . . . . . . . . 5590 1 246 . 1 1 31 31 ARG C C 13 184.286 0.156 . 1 . . . . . . . . 5590 1 247 . 1 1 31 31 ARG CA C 13 53.36 0.156 . 1 . . . . . . . . 5590 1 248 . 1 1 31 31 ARG CB C 13 28.76 0.156 . 1 . . . . . . . . 5590 1 249 . 1 1 31 31 ARG CG C 13 25 0.156 . 1 . . . . . . . . 5590 1 250 . 1 1 31 31 ARG CD C 13 41.12 0.156 . 1 . . . . . . . . 5590 1 251 . 1 1 31 31 ARG N N 15 115.67 0.158 . 1 . . . . . . . . 5590 1 252 . 1 1 32 32 PRO HA H 1 4.4 0.0068 . 1 . . . . . . . . 5590 1 253 . 1 1 32 32 PRO HB2 H 1 2.17 0.0068 . 2 . . . . . . . . 5590 1 254 . 1 1 32 32 PRO HG2 H 1 1.97 0.0068 . 2 . . . . . . . . 5590 1 255 . 1 1 32 32 PRO HD2 H 1 3.76 0.0068 . 2 . . . . . . . . 5590 1 256 . 1 1 32 32 PRO C C 13 177.17 0.156 . 1 . . . . . . . . 5590 1 257 . 1 1 32 32 PRO CA C 13 61.18 0.156 . 1 . . . . . . . . 5590 1 258 . 1 1 32 32 PRO CB C 13 30.58 0.156 . 1 . . . . . . . . 5590 1 259 . 1 1 32 32 PRO CG C 13 25 0.156 . 1 . . . . . . . . 5590 1 260 . 1 1 32 32 PRO CD C 13 48.48 0.156 . 1 . . . . . . . . 5590 1 261 . 1 1 33 33 PHE H H 1 9.35 0.0068 . 1 . . . . . . . . 5590 1 262 . 1 1 33 33 PHE HA H 1 4.58 0.0068 . 1 . . . . . . . . 5590 1 263 . 1 1 33 33 PHE HB2 H 1 3.15 0.0068 . 2 . . . . . . . . 5590 1 264 . 1 1 33 33 PHE C C 13 178.21 0.156 . 1 . . . . . . . . 5590 1 265 . 1 1 33 33 PHE CA C 13 56.09 0.156 . 1 . . . . . . . . 5590 1 266 . 1 1 33 33 PHE CB C 13 37.79 0.156 . 1 . . . . . . . . 5590 1 267 . 1 1 33 33 PHE N N 15 124.34 0.158 . 1 . . . . . . . . 5590 1 268 . 1 1 34 34 THR H H 1 9.11 0.0068 . 1 . . . . . . . . 5590 1 269 . 1 1 34 34 THR HA H 1 4.36 0.0068 . 1 . . . . . . . . 5590 1 270 . 1 1 34 34 THR HB H 1 4.27 0.0068 . 1 . . . . . . . . 5590 1 271 . 1 1 34 34 THR HG21 H 1 1.4 0.0068 . 1 . . . . . . . . 5590 1 272 . 1 1 34 34 THR HG22 H 1 1.4 0.0068 . 1 . . . . . . . . 5590 1 273 . 1 1 34 34 THR HG23 H 1 1.4 0.0068 . 1 . . . . . . . . 5590 1 274 . 1 1 34 34 THR C C 13 176 0.156 . 1 . . . . . . . . 5590 1 275 . 1 1 34 34 THR CA C 13 58.43 0.156 . 1 . . . . . . . . 5590 1 276 . 1 1 34 34 THR CB C 13 68.69 0.156 . 1 . . . . . . . . 5590 1 277 . 1 1 34 34 THR CG2 C 13 22.34 0.156 . 2 . . . . . . . . 5590 1 278 . 1 1 34 34 THR N N 15 116.04 0.158 . 1 . . . . . . . . 5590 1 279 . 1 1 35 35 VAL H H 1 8.89 0.0068 . 1 . . . . . . . . 5590 1 280 . 1 1 35 35 VAL HA H 1 4.36 0.0068 . 1 . . . . . . . . 5590 1 281 . 1 1 35 35 VAL HB H 1 2.17 0.0068 . 1 . . . . . . . . 5590 1 282 . 1 1 35 35 VAL HG11 H 1 1.18 0.0068 . 2 . . . . . . . . 5590 1 283 . 1 1 35 35 VAL HG12 H 1 1.18 0.0068 . 2 . . . . . . . . 5590 1 284 . 1 1 35 35 VAL HG13 H 1 1.18 0.0068 . 2 . . . . . . . . 5590 1 285 . 1 1 35 35 VAL C C 13 177.84 0.156 . 1 . . . . . . . . 5590 1 286 . 1 1 35 35 VAL CA C 13 64.38 0.156 . 1 . . . . . . . . 5590 1 287 . 1 1 35 35 VAL CB C 13 29.17 0.156 . 1 . . . . . . . . 5590 1 288 . 1 1 35 35 VAL CG1 C 13 22.69 0.156 . 2 . . . . . . . . 5590 1 289 . 1 1 35 35 VAL N N 15 121.85 0.158 . 1 . . . . . . . . 5590 1 290 . 1 1 36 36 ALA H H 1 8.21 0.0068 . 1 . . . . . . . . 5590 1 291 . 1 1 36 36 ALA HA H 1 4.27 0.0068 . 1 . . . . . . . . 5590 1 292 . 1 1 36 36 ALA HB1 H 1 1.15 0.0068 . 1 . . . . . . . . 5590 1 293 . 1 1 36 36 ALA HB2 H 1 1.15 0.0068 . 1 . . . . . . . . 5590 1 294 . 1 1 36 36 ALA HB3 H 1 1.15 0.0068 . 1 . . . . . . . . 5590 1 295 . 1 1 36 36 ALA C C 13 181.23 0.156 . 1 . . . . . . . . 5590 1 296 . 1 1 36 36 ALA CA C 13 53.7 0.156 . 1 . . . . . . . . 5590 1 297 . 1 1 36 36 ALA CB C 13 16.21 0.156 . 1 . . . . . . . . 5590 1 298 . 1 1 36 36 ALA N N 15 121.72 0.158 . 1 . . . . . . . . 5590 1 299 . 1 1 37 37 GLU H H 1 7.928 0.0068 . 1 . . . . . . . . 5590 1 300 . 1 1 37 37 GLU HA H 1 4.39 0.0068 . 1 . . . . . . . . 5590 1 301 . 1 1 37 37 GLU HB2 H 1 1.92 0.0068 . 2 . . . . . . . . 5590 1 302 . 1 1 37 37 GLU HG2 H 1 1.93 0.0068 . 2 . . . . . . . . 5590 1 303 . 1 1 37 37 GLU C C 13 179.24 0.156 . 1 . . . . . . . . 5590 1 304 . 1 1 37 37 GLU CA C 13 57.6 0.156 . 1 . . . . . . . . 5590 1 305 . 1 1 37 37 GLU CB C 13 30.1 0.156 . 1 . . . . . . . . 5590 1 306 . 1 1 37 37 GLU CG C 13 33 0.156 . 1 . . . . . . . . 5590 1 307 . 1 1 37 37 GLU N N 15 117.14 0.158 . 1 . . . . . . . . 5590 1 308 . 1 1 38 38 VAL H H 1 8.54 0.0068 . 1 . . . . . . . . 5590 1 309 . 1 1 38 38 VAL HA H 1 3.67 0.0068 . 1 . . . . . . . . 5590 1 310 . 1 1 38 38 VAL HB H 1 2.11 0.0068 . 1 . . . . . . . . 5590 1 311 . 1 1 38 38 VAL HG11 H 1 0.98 0.0068 . 2 . . . . . . . . 5590 1 312 . 1 1 38 38 VAL HG12 H 1 0.98 0.0068 . 2 . . . . . . . . 5590 1 313 . 1 1 38 38 VAL HG13 H 1 0.98 0.0068 . 2 . . . . . . . . 5590 1 314 . 1 1 38 38 VAL C C 13 177.65 0.156 . 1 . . . . . . . . 5590 1 315 . 1 1 38 38 VAL CA C 13 65.94 0.156 . 1 . . . . . . . . 5590 1 316 . 1 1 38 38 VAL CB C 13 30.07 0.156 . 1 . . . . . . . . 5590 1 317 . 1 1 38 38 VAL CG1 C 13 20.17 0.156 . 2 . . . . . . . . 5590 1 318 . 1 1 38 38 VAL N N 15 120.85 0.158 . 1 . . . . . . . . 5590 1 319 . 1 1 39 39 GLU H H 1 8.63 0.0068 . 1 . . . . . . . . 5590 1 320 . 1 1 39 39 GLU HA H 1 4.27 0.0068 . 1 . . . . . . . . 5590 1 321 . 1 1 39 39 GLU HB2 H 1 2.31 0.0068 . 2 . . . . . . . . 5590 1 322 . 1 1 39 39 GLU HG2 H 1 2.01 0.0068 . 2 . . . . . . . . 5590 1 323 . 1 1 39 39 GLU C C 13 178.51 0.156 . 1 . . . . . . . . 5590 1 324 . 1 1 39 39 GLU CA C 13 58.25 0.156 . 1 . . . . . . . . 5590 1 325 . 1 1 39 39 GLU CB C 13 26.7 0.156 . 1 . . . . . . . . 5590 1 326 . 1 1 39 39 GLU CG C 13 30.83 0.156 . 1 . . . . . . . . 5590 1 327 . 1 1 39 39 GLU N N 15 119.96 0.158 . 1 . . . . . . . . 5590 1 328 . 1 1 40 40 LEU H H 1 7.81 0.0068 . 1 . . . . . . . . 5590 1 329 . 1 1 40 40 LEU HA H 1 4.13 0.0068 . 1 . . . . . . . . 5590 1 330 . 1 1 40 40 LEU HB2 H 1 1.56 0.0068 . 2 . . . . . . . . 5590 1 331 . 1 1 40 40 LEU HG H 1 1.88 0.0068 . 1 . . . . . . . . 5590 1 332 . 1 1 40 40 LEU HD11 H 1 0.87 0.0068 . 1 . . . . . . . . 5590 1 333 . 1 1 40 40 LEU HD12 H 1 0.87 0.0068 . 1 . . . . . . . . 5590 1 334 . 1 1 40 40 LEU HD13 H 1 0.87 0.0068 . 1 . . . . . . . . 5590 1 335 . 1 1 40 40 LEU HD21 H 1 1.195 0.0068 . 1 . . . . . . . . 5590 1 336 . 1 1 40 40 LEU HD22 H 1 1.195 0.0068 . 1 . . . . . . . . 5590 1 337 . 1 1 40 40 LEU HD23 H 1 1.195 0.0068 . 1 . . . . . . . . 5590 1 338 . 1 1 40 40 LEU C C 13 180.07 0.156 . 1 . . . . . . . . 5590 1 339 . 1 1 40 40 LEU CA C 13 56.11 0.156 . 1 . . . . . . . . 5590 1 340 . 1 1 40 40 LEU CB C 13 40.73 0.156 . 1 . . . . . . . . 5590 1 341 . 1 1 40 40 LEU CG C 13 24.71 0.156 . 1 . . . . . . . . 5590 1 342 . 1 1 40 40 LEU CD1 C 13 21.59 0.156 . 2 . . . . . . . . 5590 1 343 . 1 1 40 40 LEU CD2 C 13 20.92 0.156 . 2 . . . . . . . . 5590 1 344 . 1 1 40 40 LEU N N 15 118.4 0.158 . 1 . . . . . . . . 5590 1 345 . 1 1 41 41 LEU H H 1 8.39 0.0068 . 1 . . . . . . . . 5590 1 346 . 1 1 41 41 LEU HA H 1 4.15 0.0068 . 1 . . . . . . . . 5590 1 347 . 1 1 41 41 LEU HB2 H 1 1.54 0.0068 . 2 . . . . . . . . 5590 1 348 . 1 1 41 41 LEU HD11 H 1 0.82 0.0068 . 2 . . . . . . . . 5590 1 349 . 1 1 41 41 LEU HD12 H 1 0.82 0.0068 . 2 . . . . . . . . 5590 1 350 . 1 1 41 41 LEU HD13 H 1 0.82 0.0068 . 2 . . . . . . . . 5590 1 351 . 1 1 41 41 LEU C C 13 177.15 0.156 . 1 . . . . . . . . 5590 1 352 . 1 1 41 41 LEU CA C 13 56.11 0.156 . 1 . . . . . . . . 5590 1 353 . 1 1 41 41 LEU CB C 13 40.73 0.156 . 1 . . . . . . . . 5590 1 354 . 1 1 41 41 LEU CD1 C 13 22.76 0.156 . 2 . . . . . . . . 5590 1 355 . 1 1 41 41 LEU N N 15 120.73 0.158 . 1 . . . . . . . . 5590 1 356 . 1 1 42 42 VAL H H 1 8.99 0.0068 . 1 . . . . . . . . 5590 1 357 . 1 1 42 42 VAL HA H 1 3.77 0.0068 . 1 . . . . . . . . 5590 1 358 . 1 1 42 42 VAL HB H 1 2.18 0.0068 . 1 . . . . . . . . 5590 1 359 . 1 1 42 42 VAL HG11 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 360 . 1 1 42 42 VAL HG12 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 361 . 1 1 42 42 VAL HG13 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 362 . 1 1 42 42 VAL C C 13 177.15 0.156 . 1 . . . . . . . . 5590 1 363 . 1 1 42 42 VAL CA C 13 65.38 0.156 . 1 . . . . . . . . 5590 1 364 . 1 1 42 42 VAL CB C 13 29.67 0.156 . 1 . . . . . . . . 5590 1 365 . 1 1 42 42 VAL CG1 C 13 18 0.156 . 2 . . . . . . . . 5590 1 366 . 1 1 42 42 VAL N N 15 118.41 0.158 . 1 . . . . . . . . 5590 1 367 . 1 1 43 43 GLU H H 1 8.46 0.0068 . 1 . . . . . . . . 5590 1 368 . 1 1 43 43 GLU HA H 1 4.27 0.0068 . 1 . . . . . . . . 5590 1 369 . 1 1 43 43 GLU HB2 H 1 2.02 0.0068 . 2 . . . . . . . . 5590 1 370 . 1 1 43 43 GLU HG2 H 1 2.29 0.0068 . 2 . . . . . . . . 5590 1 371 . 1 1 43 43 GLU C C 13 179.31 0.156 . 1 . . . . . . . . 5590 1 372 . 1 1 43 43 GLU CA C 13 57.61 0.156 . 1 . . . . . . . . 5590 1 373 . 1 1 43 43 GLU CB C 13 27.15 0.156 . 1 . . . . . . . . 5590 1 374 . 1 1 43 43 GLU CG C 13 34 0.156 . 1 . . . . . . . . 5590 1 375 . 1 1 43 43 GLU N N 15 119.64 0.158 . 1 . . . . . . . . 5590 1 376 . 1 1 44 44 ALA H H 1 7.93 0.0068 . 1 . . . . . . . . 5590 1 377 . 1 1 44 44 ALA HA H 1 4.02 0.0068 . 1 . . . . . . . . 5590 1 378 . 1 1 44 44 ALA HB1 H 1 1.48 0.0068 . 1 . . . . . . . . 5590 1 379 . 1 1 44 44 ALA HB2 H 1 1.48 0.0068 . 1 . . . . . . . . 5590 1 380 . 1 1 44 44 ALA HB3 H 1 1.48 0.0068 . 1 . . . . . . . . 5590 1 381 . 1 1 44 44 ALA C C 13 179.48 0.156 . 1 . . . . . . . . 5590 1 382 . 1 1 44 44 ALA CA C 13 53.2 0.156 . 1 . . . . . . . . 5590 1 383 . 1 1 44 44 ALA CB C 13 16.82 0.156 . 1 . . . . . . . . 5590 1 384 . 1 1 44 44 ALA N N 15 120.11 0.158 . 1 . . . . . . . . 5590 1 385 . 1 1 45 45 VAL H H 1 8.37 0.0068 . 1 . . . . . . . . 5590 1 386 . 1 1 45 45 VAL HA H 1 4.33 0.0068 . 1 . . . . . . . . 5590 1 387 . 1 1 45 45 VAL HB H 1 2.12 0.0068 . 1 . . . . . . . . 5590 1 388 . 1 1 45 45 VAL HG11 H 1 1.18 0.0068 . 2 . . . . . . . . 5590 1 389 . 1 1 45 45 VAL HG12 H 1 1.18 0.0068 . 2 . . . . . . . . 5590 1 390 . 1 1 45 45 VAL HG13 H 1 1.18 0.0068 . 2 . . . . . . . . 5590 1 391 . 1 1 45 45 VAL C C 13 179.52 0.156 . 1 . . . . . . . . 5590 1 392 . 1 1 45 45 VAL CA C 13 63.35 0.156 . 1 . . . . . . . . 5590 1 393 . 1 1 45 45 VAL CB C 13 29.04 0.156 . 1 . . . . . . . . 5590 1 394 . 1 1 45 45 VAL CG1 C 13 21.51 0.156 . 2 . . . . . . . . 5590 1 395 . 1 1 45 45 VAL N N 15 120.83 0.158 . 1 . . . . . . . . 5590 1 396 . 1 1 46 46 GLU H H 1 9.1 0.0068 . 1 . . . . . . . . 5590 1 397 . 1 1 46 46 GLU HA H 1 3.97 0.0068 . 1 . . . . . . . . 5590 1 398 . 1 1 46 46 GLU HB2 H 1 1.79 0.0068 . 2 . . . . . . . . 5590 1 399 . 1 1 46 46 GLU HG2 H 1 2.32 0.0068 . 2 . . . . . . . . 5590 1 400 . 1 1 46 46 GLU C C 13 179.07 0.156 . 1 . . . . . . . . 5590 1 401 . 1 1 46 46 GLU CA C 13 58.52 0.156 . 1 . . . . . . . . 5590 1 402 . 1 1 46 46 GLU CB C 13 28.53 0.156 . 1 . . . . . . . . 5590 1 403 . 1 1 46 46 GLU CG C 13 32 0.156 . 1 . . . . . . . . 5590 1 404 . 1 1 46 46 GLU N N 15 120.41 0.158 . 1 . . . . . . . . 5590 1 405 . 1 1 47 47 HIS H H 1 7.06 0.0068 . 1 . . . . . . . . 5590 1 406 . 1 1 47 47 HIS HA H 1 4.5 0.0068 . 1 . . . . . . . . 5590 1 407 . 1 1 47 47 HIS HB2 H 1 3.16 0.0068 . 2 . . . . . . . . 5590 1 408 . 1 1 47 47 HIS C C 13 176.36 0.156 . 1 . . . . . . . . 5590 1 409 . 1 1 47 47 HIS CA C 13 57.33 0.156 . 1 . . . . . . . . 5590 1 410 . 1 1 47 47 HIS CB C 13 31.6 0.156 . 1 . . . . . . . . 5590 1 411 . 1 1 47 47 HIS N N 15 113.49 0.158 . 1 . . . . . . . . 5590 1 412 . 1 1 48 48 LEU H H 1 8.5 0.0068 . 1 . . . . . . . . 5590 1 413 . 1 1 48 48 LEU HA H 1 4.13 0.0068 . 1 . . . . . . . . 5590 1 414 . 1 1 48 48 LEU HB2 H 1 1.54 0.0068 . 2 . . . . . . . . 5590 1 415 . 1 1 48 48 LEU HD11 H 1 0.88 0.0068 . 2 . . . . . . . . 5590 1 416 . 1 1 48 48 LEU HD12 H 1 0.88 0.0068 . 2 . . . . . . . . 5590 1 417 . 1 1 48 48 LEU HD13 H 1 0.88 0.0068 . 2 . . . . . . . . 5590 1 418 . 1 1 48 48 LEU C C 13 176.88 0.156 . 1 . . . . . . . . 5590 1 419 . 1 1 48 48 LEU CA C 13 53.13 0.156 . 1 . . . . . . . . 5590 1 420 . 1 1 48 48 LEU CB C 13 42.41 0.156 . 1 . . . . . . . . 5590 1 421 . 1 1 48 48 LEU CD1 C 13 22 0.156 . 2 . . . . . . . . 5590 1 422 . 1 1 48 48 LEU N N 15 116.72 0.158 . 1 . . . . . . . . 5590 1 423 . 1 1 49 49 GLY H H 1 8.31 0.0068 . 1 . . . . . . . . 5590 1 424 . 1 1 49 49 GLY HA2 H 1 3.17 0.0068 . 2 . . . . . . . . 5590 1 425 . 1 1 49 49 GLY C C 13 173.36 0.156 . 1 . . . . . . . . 5590 1 426 . 1 1 49 49 GLY CA C 13 39.12 0.156 . 1 . . . . . . . . 5590 1 427 . 1 1 49 49 GLY N N 15 111.12 0.158 . 1 . . . . . . . . 5590 1 428 . 1 1 50 50 THR H H 1 6.35 0.0068 . 1 . . . . . . . . 5590 1 429 . 1 1 50 50 THR HA H 1 4.39 0.0068 . 1 . . . . . . . . 5590 1 430 . 1 1 50 50 THR HB H 1 4.26 0.0068 . 1 . . . . . . . . 5590 1 431 . 1 1 50 50 THR HG21 H 1 0.98 0.0068 . 1 . . . . . . . . 5590 1 432 . 1 1 50 50 THR HG22 H 1 0.98 0.0068 . 1 . . . . . . . . 5590 1 433 . 1 1 50 50 THR HG23 H 1 0.98 0.0068 . 1 . . . . . . . . 5590 1 434 . 1 1 50 50 THR C C 13 173.93 0.156 . 1 . . . . . . . . 5590 1 435 . 1 1 50 50 THR CA C 13 58.73 0.156 . 1 . . . . . . . . 5590 1 436 . 1 1 50 50 THR CB C 13 66.71 0.156 . 1 . . . . . . . . 5590 1 437 . 1 1 50 50 THR CG2 C 13 19.41 0.156 . 2 . . . . . . . . 5590 1 438 . 1 1 50 50 THR N N 15 103.09 0.158 . 1 . . . . . . . . 5590 1 439 . 1 1 51 51 GLY H H 1 7.65 0.0068 . 1 . . . . . . . . 5590 1 440 . 1 1 51 51 GLY HA2 H 1 3.52 0.0068 . 2 . . . . . . . . 5590 1 441 . 1 1 51 51 GLY C C 13 173.95 0.156 . 1 . . . . . . . . 5590 1 442 . 1 1 51 51 GLY CA C 13 43.25 0.156 . 1 . . . . . . . . 5590 1 443 . 1 1 51 51 GLY N N 15 108.74 0.158 . 1 . . . . . . . . 5590 1 444 . 1 1 52 52 ARG H H 1 7.96 0.0068 . 1 . . . . . . . . 5590 1 445 . 1 1 52 52 ARG HA H 1 4.33 0.0068 . 1 . . . . . . . . 5590 1 446 . 1 1 52 52 ARG HB2 H 1 1.79 0.0068 . 2 . . . . . . . . 5590 1 447 . 1 1 52 52 ARG HG2 H 1 1.54 0.0068 . 2 . . . . . . . . 5590 1 448 . 1 1 52 52 ARG HD2 H 1 3.13 0.0068 . 2 . . . . . . . . 5590 1 449 . 1 1 52 52 ARG C C 13 175.96 0.156 . 1 . . . . . . . . 5590 1 450 . 1 1 52 52 ARG CA C 13 54.49 0.156 . 1 . . . . . . . . 5590 1 451 . 1 1 52 52 ARG CB C 13 29.04 0.156 . 1 . . . . . . . . 5590 1 452 . 1 1 52 52 ARG CG C 13 25.59 0.156 . 1 . . . . . . . . 5590 1 453 . 1 1 52 52 ARG CD C 13 41 0.156 . 1 . . . . . . . . 5590 1 454 . 1 1 52 52 ARG N N 15 120.58 0.158 . 1 . . . . . . . . 5590 1 455 . 1 1 53 53 TRP H H 1 8.8 0.0068 . 1 . . . . . . . . 5590 1 456 . 1 1 53 53 TRP HA H 1 4.71 0.0068 . 1 . . . . . . . . 5590 1 457 . 1 1 53 53 TRP HB2 H 1 2.91 0.0068 . 2 . . . . . . . . 5590 1 458 . 1 1 53 53 TRP HE1 H 1 10.42 0.0068 . 2 . . . . . . . . 5590 1 459 . 1 1 53 53 TRP C C 13 176.59 0.156 . 1 . . . . . . . . 5590 1 460 . 1 1 53 53 TRP CA C 13 51.57 0.156 . 1 . . . . . . . . 5590 1 461 . 1 1 53 53 TRP CB C 13 27.87 0.156 . 1 . . . . . . . . 5590 1 462 . 1 1 53 53 TRP N N 15 124.4 0.158 . 1 . . . . . . . . 5590 1 463 . 1 1 53 53 TRP NE1 N 15 130.4 0.158 . 1 . . . . . . . . 5590 1 464 . 1 1 54 54 ARG H H 1 7.26 0.0068 . 1 . . . . . . . . 5590 1 465 . 1 1 54 54 ARG HA H 1 4.22 0.0068 . 1 . . . . . . . . 5590 1 466 . 1 1 54 54 ARG HB2 H 1 1.56 0.0068 . 2 . . . . . . . . 5590 1 467 . 1 1 54 54 ARG HG2 H 1 1.31 0.0068 . 2 . . . . . . . . 5590 1 468 . 1 1 54 54 ARG HD2 H 1 2.96 0.0068 . 2 . . . . . . . . 5590 1 469 . 1 1 54 54 ARG C C 13 178.58 0.156 . 1 . . . . . . . . 5590 1 470 . 1 1 54 54 ARG CA C 13 58.12 0.156 . 1 . . . . . . . . 5590 1 471 . 1 1 54 54 ARG CB C 13 26.5 0.156 . 1 . . . . . . . . 5590 1 472 . 1 1 54 54 ARG CG C 13 22.98 0.156 . 1 . . . . . . . . 5590 1 473 . 1 1 54 54 ARG CD C 13 41 0.156 . 1 . . . . . . . . 5590 1 474 . 1 1 54 54 ARG N N 15 121.06 0.158 . 1 . . . . . . . . 5590 1 475 . 1 1 55 55 ASP H H 1 7.45 0.0068 . 1 . . . . . . . . 5590 1 476 . 1 1 55 55 ASP HA H 1 4.58 0.0068 . 1 . . . . . . . . 5590 1 477 . 1 1 55 55 ASP HB2 H 1 2.71 0.0068 . 2 . . . . . . . . 5590 1 478 . 1 1 55 55 ASP C C 13 179 0.156 . 1 . . . . . . . . 5590 1 479 . 1 1 55 55 ASP CA C 13 54.91 0.156 . 1 . . . . . . . . 5590 1 480 . 1 1 55 55 ASP CB C 13 38.85 0.156 . 1 . . . . . . . . 5590 1 481 . 1 1 55 55 ASP N N 15 120.12 0.158 . 1 . . . . . . . . 5590 1 482 . 1 1 56 56 VAL H H 1 8.11 0.0068 . 1 . . . . . . . . 5590 1 483 . 1 1 56 56 VAL HA H 1 4.04 0.0068 . 1 . . . . . . . . 5590 1 484 . 1 1 56 56 VAL HB H 1 2.01 0.0068 . 1 . . . . . . . . 5590 1 485 . 1 1 56 56 VAL HG11 H 1 1.13 0.0068 . 1 . . . . . . . . 5590 1 486 . 1 1 56 56 VAL HG12 H 1 1.13 0.0068 . 1 . . . . . . . . 5590 1 487 . 1 1 56 56 VAL HG13 H 1 1.13 0.0068 . 1 . . . . . . . . 5590 1 488 . 1 1 56 56 VAL C C 13 177.24 0.156 . 1 . . . . . . . . 5590 1 489 . 1 1 56 56 VAL CA C 13 64.99 0.156 . 1 . . . . . . . . 5590 1 490 . 1 1 56 56 VAL CB C 13 29.58 0.156 . 1 . . . . . . . . 5590 1 491 . 1 1 56 56 VAL CG1 C 13 21.38 0.156 . 2 . . . . . . . . 5590 1 492 . 1 1 56 56 VAL N N 15 123.65 0.158 . 1 . . . . . . . . 5590 1 493 . 1 1 57 57 LYS H H 1 8.1 0.0068 . 1 . . . . . . . . 5590 1 494 . 1 1 57 57 LYS HA H 1 4.28 0.0068 . 1 . . . . . . . . 5590 1 495 . 1 1 57 57 LYS HB2 H 1 1.82 0.0068 . 2 . . . . . . . . 5590 1 496 . 1 1 57 57 LYS HG2 H 1 1.45 0.0068 . 2 . . . . . . . . 5590 1 497 . 1 1 57 57 LYS HE2 H 1 3.18 0.0068 . 2 . . . . . . . . 5590 1 498 . 1 1 57 57 LYS C C 13 177.87 0.156 . 1 . . . . . . . . 5590 1 499 . 1 1 57 57 LYS CA C 13 59.11 0.156 . 1 . . . . . . . . 5590 1 500 . 1 1 57 57 LYS CB C 13 30.09 0.156 . 1 . . . . . . . . 5590 1 501 . 1 1 57 57 LYS CG C 13 24.93 0.156 . 1 . . . . . . . . 5590 1 502 . 1 1 57 57 LYS CE C 13 41 0.156 . 1 . . . . . . . . 5590 1 503 . 1 1 57 57 LYS N N 15 120.02 0.158 . 1 . . . . . . . . 5590 1 504 . 1 1 58 58 PHE H H 1 7.92 0.0068 . 1 . . . . . . . . 5590 1 505 . 1 1 58 58 PHE HA H 1 4.57 0.0068 . 1 . . . . . . . . 5590 1 506 . 1 1 58 58 PHE HB2 H 1 3.17 0.0068 . 2 . . . . . . . . 5590 1 507 . 1 1 58 58 PHE C C 13 176.39 0.156 . 1 . . . . . . . . 5590 1 508 . 1 1 58 58 PHE CA C 13 58.52 0.156 . 1 . . . . . . . . 5590 1 509 . 1 1 58 58 PHE CB C 13 36.95 0.156 . 1 . . . . . . . . 5590 1 510 . 1 1 58 58 PHE N N 15 117.79 0.158 . 1 . . . . . . . . 5590 1 511 . 1 1 59 59 ARG H H 1 8.19 0.0068 . 1 . . . . . . . . 5590 1 512 . 1 1 59 59 ARG HA H 1 4.15 0.0068 . 1 . . . . . . . . 5590 1 513 . 1 1 59 59 ARG HB2 H 1 1.82 0.0068 . 2 . . . . . . . . 5590 1 514 . 1 1 59 59 ARG HG2 H 1 1.68 0.0068 . 2 . . . . . . . . 5590 1 515 . 1 1 59 59 ARG HD2 H 1 3.15 0.0068 . 2 . . . . . . . . 5590 1 516 . 1 1 59 59 ARG C C 13 177.59 0.156 . 1 . . . . . . . . 5590 1 517 . 1 1 59 59 ARG CA C 13 56.42 0.156 . 1 . . . . . . . . 5590 1 518 . 1 1 59 59 ARG CB C 13 28.83 0.156 . 1 . . . . . . . . 5590 1 519 . 1 1 59 59 ARG CG C 13 25.6 0.156 . 1 . . . . . . . . 5590 1 520 . 1 1 59 59 ARG CD C 13 40.83 0.156 . 1 . . . . . . . . 5590 1 521 . 1 1 59 59 ARG N N 15 116.77 0.158 . 1 . . . . . . . . 5590 1 522 . 1 1 60 60 ALA H H 1 7.79 0.0068 . 1 . . . . . . . . 5590 1 523 . 1 1 60 60 ALA HA H 1 4.5 0.0068 . 1 . . . . . . . . 5590 1 524 . 1 1 60 60 ALA HB1 H 1 1.55 0.0068 . 1 . . . . . . . . 5590 1 525 . 1 1 60 60 ALA HB2 H 1 1.55 0.0068 . 1 . . . . . . . . 5590 1 526 . 1 1 60 60 ALA HB3 H 1 1.55 0.0068 . 1 . . . . . . . . 5590 1 527 . 1 1 60 60 ALA C C 13 176.47 0.156 . 1 . . . . . . . . 5590 1 528 . 1 1 60 60 ALA CA C 13 49.6 0.156 . 1 . . . . . . . . 5590 1 529 . 1 1 60 60 ALA CB C 13 20.43 0.156 . 1 . . . . . . . . 5590 1 530 . 1 1 60 60 ALA N N 15 116.45 0.158 . 1 . . . . . . . . 5590 1 531 . 1 1 61 61 PHE H H 1 8.25 0.0068 . 1 . . . . . . . . 5590 1 532 . 1 1 61 61 PHE HA H 1 4.79 0.0068 . 1 . . . . . . . . 5590 1 533 . 1 1 61 61 PHE HB2 H 1 2.73 0.0068 . 2 . . . . . . . . 5590 1 534 . 1 1 61 61 PHE C C 13 177.08 0.156 . 1 . . . . . . . . 5590 1 535 . 1 1 61 61 PHE CA C 13 54.32 0.156 . 1 . . . . . . . . 5590 1 536 . 1 1 61 61 PHE CB C 13 39.61 0.156 . 1 . . . . . . . . 5590 1 537 . 1 1 61 61 PHE N N 15 115.66 0.158 . 1 . . . . . . . . 5590 1 538 . 1 1 62 62 GLU H H 1 8.34 0.0068 . 1 . . . . . . . . 5590 1 539 . 1 1 62 62 GLU HA H 1 3.85 0.0068 . 1 . . . . . . . . 5590 1 540 . 1 1 62 62 GLU HB2 H 1 1.75 0.0068 . 2 . . . . . . . . 5590 1 541 . 1 1 62 62 GLU HG2 H 1 2.41 0.0068 . 2 . . . . . . . . 5590 1 542 . 1 1 62 62 GLU C C 13 177.4 0.156 . 1 . . . . . . . . 5590 1 543 . 1 1 62 62 GLU CA C 13 58.48 0.156 . 1 . . . . . . . . 5590 1 544 . 1 1 62 62 GLU CB C 13 26.88 0.156 . 1 . . . . . . . . 5590 1 545 . 1 1 62 62 GLU CG C 13 32.21 0.156 . 1 . . . . . . . . 5590 1 546 . 1 1 62 62 GLU N N 15 126.39 0.158 . 1 . . . . . . . . 5590 1 547 . 1 1 63 63 ASN H H 1 8.69 0.0068 . 1 . . . . . . . . 5590 1 548 . 1 1 63 63 ASN HA H 1 4.81 0.0068 . 1 . . . . . . . . 5590 1 549 . 1 1 63 63 ASN HB2 H 1 2.74 0.0068 . 2 . . . . . . . . 5590 1 550 . 1 1 63 63 ASN HD21 H 1 6.885 0.0068 . 2 . . . . . . . . 5590 1 551 . 1 1 63 63 ASN HD22 H 1 7.562 0.0068 . 2 . . . . . . . . 5590 1 552 . 1 1 63 63 ASN C C 13 174.04 0.156 . 1 . . . . . . . . 5590 1 553 . 1 1 63 63 ASN CA C 13 50.57 0.156 . 1 . . . . . . . . 5590 1 554 . 1 1 63 63 ASN CB C 13 36.29 0.156 . 1 . . . . . . . . 5590 1 555 . 1 1 63 63 ASN N N 15 114.04 0.158 . 1 . . . . . . . . 5590 1 556 . 1 1 63 63 ASN ND2 N 15 111.8 0.158 . 1 . . . . . . . . 5590 1 557 . 1 1 64 64 VAL H H 1 7.08 0.0068 . 1 . . . . . . . . 5590 1 558 . 1 1 64 64 VAL HA H 1 4.16 0.0068 . 1 . . . . . . . . 5590 1 559 . 1 1 64 64 VAL HB H 1 2.15 0.0068 . 1 . . . . . . . . 5590 1 560 . 1 1 64 64 VAL HG11 H 1 0.98 0.0068 . 2 . . . . . . . . 5590 1 561 . 1 1 64 64 VAL HG12 H 1 0.98 0.0068 . 2 . . . . . . . . 5590 1 562 . 1 1 64 64 VAL HG13 H 1 0.98 0.0068 . 2 . . . . . . . . 5590 1 563 . 1 1 64 64 VAL CA C 13 59.17 0.156 . 1 . . . . . . . . 5590 1 564 . 1 1 64 64 VAL CB C 13 28.79 0.156 . 1 . . . . . . . . 5590 1 565 . 1 1 64 64 VAL CG1 C 13 19 0.156 . 2 . . . . . . . . 5590 1 566 . 1 1 64 64 VAL N N 15 119.69 0.158 . 1 . . . . . . . . 5590 1 567 . 1 1 66 66 HIS H H 1 7.469 0.0068 . 1 . . . . . . . . 5590 1 568 . 1 1 66 66 HIS C C 13 174.39 0.156 . 1 . . . . . . . . 5590 1 569 . 1 1 66 66 HIS N N 15 116.2 0.158 . 1 . . . . . . . . 5590 1 570 . 1 1 67 67 ARG H H 1 6.96 0.0068 . 1 . . . . . . . . 5590 1 571 . 1 1 67 67 ARG HA H 1 4.125 0.0068 . 1 . . . . . . . . 5590 1 572 . 1 1 67 67 ARG HB2 H 1 2.132 0.0068 . 2 . . . . . . . . 5590 1 573 . 1 1 67 67 ARG HG2 H 1 1.678 0.0068 . 2 . . . . . . . . 5590 1 574 . 1 1 67 67 ARG HD2 H 1 3.237 0.0068 . 2 . . . . . . . . 5590 1 575 . 1 1 67 67 ARG C C 13 174.86 0.156 . 1 . . . . . . . . 5590 1 576 . 1 1 67 67 ARG CA C 13 50.5 0.156 . 1 . . . . . . . . 5590 1 577 . 1 1 67 67 ARG CB C 13 27.6 0.156 . 1 . . . . . . . . 5590 1 578 . 1 1 67 67 ARG CG C 13 24.5 0.156 . 1 . . . . . . . . 5590 1 579 . 1 1 67 67 ARG CD C 13 41.2 0.156 . 1 . . . . . . . . 5590 1 580 . 1 1 67 67 ARG N N 15 119.3 0.158 . 1 . . . . . . . . 5590 1 581 . 1 1 68 68 THR H H 1 8.72 0.0068 . 1 . . . . . . . . 5590 1 582 . 1 1 68 68 THR HA H 1 4.28 0.0068 . 1 . . . . . . . . 5590 1 583 . 1 1 68 68 THR HB H 1 4.24 0.0068 . 1 . . . . . . . . 5590 1 584 . 1 1 68 68 THR HG21 H 1 1.29 0.0068 . 1 . . . . . . . . 5590 1 585 . 1 1 68 68 THR HG22 H 1 1.29 0.0068 . 1 . . . . . . . . 5590 1 586 . 1 1 68 68 THR HG23 H 1 1.29 0.0068 . 1 . . . . . . . . 5590 1 587 . 1 1 68 68 THR C C 13 176.18 0.156 . 1 . . . . . . . . 5590 1 588 . 1 1 68 68 THR CA C 13 58.23 0.156 . 1 . . . . . . . . 5590 1 589 . 1 1 68 68 THR CB C 13 69.65 0.156 . 1 . . . . . . . . 5590 1 590 . 1 1 68 68 THR CG2 C 13 18.83 0.156 . 2 . . . . . . . . 5590 1 591 . 1 1 68 68 THR N N 15 115.07 0.158 . 1 . . . . . . . . 5590 1 592 . 1 1 69 69 TYR H H 1 8.93 0.0068 . 1 . . . . . . . . 5590 1 593 . 1 1 69 69 TYR HA H 1 4.53 0.0068 . 1 . . . . . . . . 5590 1 594 . 1 1 69 69 TYR HB2 H 1 3.01 0.0068 . 2 . . . . . . . . 5590 1 595 . 1 1 69 69 TYR C C 13 176.19 0.156 . 1 . . . . . . . . 5590 1 596 . 1 1 69 69 TYR CA C 13 58.8 0.156 . 1 . . . . . . . . 5590 1 597 . 1 1 69 69 TYR CB C 13 35.37 0.156 . 1 . . . . . . . . 5590 1 598 . 1 1 69 69 TYR N N 15 118.03 0.158 . 1 . . . . . . . . 5590 1 599 . 1 1 70 70 VAL H H 1 6.39 0.0068 . 1 . . . . . . . . 5590 1 600 . 1 1 70 70 VAL HA H 1 4.2 0.0068 . 1 . . . . . . . . 5590 1 601 . 1 1 70 70 VAL HB H 1 2.08 0.0068 . 1 . . . . . . . . 5590 1 602 . 1 1 70 70 VAL HG11 H 1 0.91 0.0068 . 2 . . . . . . . . 5590 1 603 . 1 1 70 70 VAL HG12 H 1 0.91 0.0068 . 2 . . . . . . . . 5590 1 604 . 1 1 70 70 VAL HG13 H 1 0.91 0.0068 . 2 . . . . . . . . 5590 1 605 . 1 1 70 70 VAL C C 13 176.95 0.156 . 1 . . . . . . . . 5590 1 606 . 1 1 70 70 VAL CA C 13 62.34 0.156 . 1 . . . . . . . . 5590 1 607 . 1 1 70 70 VAL CB C 13 29.74 0.156 . 1 . . . . . . . . 5590 1 608 . 1 1 70 70 VAL CG1 C 13 18.59 0.156 . 2 . . . . . . . . 5590 1 609 . 1 1 70 70 VAL N N 15 120.09 0.158 . 1 . . . . . . . . 5590 1 610 . 1 1 71 71 ASP H H 1 7.29 0.0068 . 1 . . . . . . . . 5590 1 611 . 1 1 71 71 ASP HA H 1 4.61 0.0068 . 1 . . . . . . . . 5590 1 612 . 1 1 71 71 ASP HB2 H 1 2.72 0.0068 . 2 . . . . . . . . 5590 1 613 . 1 1 71 71 ASP C C 13 179.45 0.156 . 1 . . . . . . . . 5590 1 614 . 1 1 71 71 ASP CA C 13 54.91 0.156 . 1 . . . . . . . . 5590 1 615 . 1 1 71 71 ASP CB C 13 39.87 0.156 . 1 . . . . . . . . 5590 1 616 . 1 1 71 71 ASP N N 15 120.37 0.158 . 1 . . . . . . . . 5590 1 617 . 1 1 72 72 LEU H H 1 7.6 0.0068 . 1 . . . . . . . . 5590 1 618 . 1 1 72 72 LEU HA H 1 4.21 0.0068 . 1 . . . . . . . . 5590 1 619 . 1 1 72 72 LEU HB2 H 1 1.82 0.0068 . 2 . . . . . . . . 5590 1 620 . 1 1 72 72 LEU HD11 H 1 0.81 0.0068 . 2 . . . . . . . . 5590 1 621 . 1 1 72 72 LEU HD12 H 1 0.81 0.0068 . 2 . . . . . . . . 5590 1 622 . 1 1 72 72 LEU HD13 H 1 0.81 0.0068 . 2 . . . . . . . . 5590 1 623 . 1 1 72 72 LEU C C 13 180.44 0.156 . 1 . . . . . . . . 5590 1 624 . 1 1 72 72 LEU CA C 13 55.5 0.156 . 1 . . . . . . . . 5590 1 625 . 1 1 72 72 LEU CB C 13 37.41 0.156 . 1 . . . . . . . . 5590 1 626 . 1 1 72 72 LEU CD1 C 13 19.37 0.156 . 2 . . . . . . . . 5590 1 627 . 1 1 72 72 LEU N N 15 118.12 0.158 . 1 . . . . . . . . 5590 1 628 . 1 1 73 73 LYS H H 1 7.37 0.0068 . 1 . . . . . . . . 5590 1 629 . 1 1 73 73 LYS HA H 1 4.32 0.0068 . 1 . . . . . . . . 5590 1 630 . 1 1 73 73 LYS HB2 H 1 1.8 0.0068 . 2 . . . . . . . . 5590 1 631 . 1 1 73 73 LYS HE2 H 1 3.09 0.0068 . 2 . . . . . . . . 5590 1 632 . 1 1 73 73 LYS C C 13 178.52 0.156 . 1 . . . . . . . . 5590 1 633 . 1 1 73 73 LYS CA C 13 57.85 0.156 . 1 . . . . . . . . 5590 1 634 . 1 1 73 73 LYS CB C 13 29.65 0.156 . 1 . . . . . . . . 5590 1 635 . 1 1 73 73 LYS CE C 13 40.83 0.156 . 1 . . . . . . . . 5590 1 636 . 1 1 73 73 LYS N N 15 120.63 0.158 . 1 . . . . . . . . 5590 1 637 . 1 1 74 74 ASP H H 1 8.11 0.0068 . 1 . . . . . . . . 5590 1 638 . 1 1 74 74 ASP HA H 1 4.21 0.0068 . 1 . . . . . . . . 5590 1 639 . 1 1 74 74 ASP HB2 H 1 2.57 0.0068 . 2 . . . . . . . . 5590 1 640 . 1 1 74 74 ASP C C 13 178.95 0.156 . 1 . . . . . . . . 5590 1 641 . 1 1 74 74 ASP CA C 13 55.8 0.156 . 1 . . . . . . . . 5590 1 642 . 1 1 74 74 ASP CB C 13 39.49 0.156 . 1 . . . . . . . . 5590 1 643 . 1 1 74 74 ASP N N 15 118.57 0.158 . 1 . . . . . . . . 5590 1 644 . 1 1 75 75 LYS H H 1 7.98 0.0068 . 1 . . . . . . . . 5590 1 645 . 1 1 75 75 LYS HA H 1 4.28 0.0068 . 1 . . . . . . . . 5590 1 646 . 1 1 75 75 LYS HB2 H 1 1.92 0.0068 . 2 . . . . . . . . 5590 1 647 . 1 1 75 75 LYS HG2 H 1 1.6 0.0068 . 2 . . . . . . . . 5590 1 648 . 1 1 75 75 LYS HE2 H 1 3.14 0.0068 . 2 . . . . . . . . 5590 1 649 . 1 1 75 75 LYS C C 13 178.52 0.156 . 1 . . . . . . . . 5590 1 650 . 1 1 75 75 LYS CA C 13 54.25 0.156 . 1 . . . . . . . . 5590 1 651 . 1 1 75 75 LYS CB C 13 28.85 0.156 . 1 . . . . . . . . 5590 1 652 . 1 1 75 75 LYS CG C 13 23.49 0.156 . 1 . . . . . . . . 5590 1 653 . 1 1 75 75 LYS CE C 13 40.83 0.156 . 1 . . . . . . . . 5590 1 654 . 1 1 75 75 LYS N N 15 120.87 0.158 . 1 . . . . . . . . 5590 1 655 . 1 1 76 76 TRP H H 1 8.4 0.0068 . 1 . . . . . . . . 5590 1 656 . 1 1 76 76 TRP HA H 1 4.29 0.0068 . 1 . . . . . . . . 5590 1 657 . 1 1 76 76 TRP HB2 H 1 3.18 0.0068 . 2 . . . . . . . . 5590 1 658 . 1 1 76 76 TRP C C 13 176.7 0.156 . 1 . . . . . . . . 5590 1 659 . 1 1 76 76 TRP CA C 13 58.57 0.156 . 1 . . . . . . . . 5590 1 660 . 1 1 76 76 TRP CB C 13 28.41 0.156 . 1 . . . . . . . . 5590 1 661 . 1 1 76 76 TRP N N 15 121.04 0.158 . 1 . . . . . . . . 5590 1 662 . 1 1 76 76 TRP NE1 N 15 131.4 0.158 . 2 . . . . . . . . 5590 1 663 . 1 1 77 77 LYS H H 1 7.77 0.0068 . 1 . . . . . . . . 5590 1 664 . 1 1 77 77 LYS HA H 1 4.15 0.0068 . 1 . . . . . . . . 5590 1 665 . 1 1 77 77 LYS HB2 H 1 1.77 0.0068 . 2 . . . . . . . . 5590 1 666 . 1 1 77 77 LYS HG2 H 1 1.52 0.0068 . 2 . . . . . . . . 5590 1 667 . 1 1 77 77 LYS HE2 H 1 3.18 0.0068 . 2 . . . . . . . . 5590 1 668 . 1 1 77 77 LYS C C 13 180.21 0.156 . 1 . . . . . . . . 5590 1 669 . 1 1 77 77 LYS CA C 13 58.03 0.156 . 1 . . . . . . . . 5590 1 670 . 1 1 77 77 LYS CB C 13 29.73 0.156 . 1 . . . . . . . . 5590 1 671 . 1 1 77 77 LYS CG C 13 23.59 0.156 . 1 . . . . . . . . 5590 1 672 . 1 1 77 77 LYS CE C 13 40.93 0.156 . 1 . . . . . . . . 5590 1 673 . 1 1 77 77 LYS N N 15 116.08 0.158 . 1 . . . . . . . . 5590 1 674 . 1 1 78 78 THR H H 1 7.92 0.0068 . 1 . . . . . . . . 5590 1 675 . 1 1 78 78 THR HA H 1 4.29 0.0068 . 1 . . . . . . . . 5590 1 676 . 1 1 78 78 THR HB H 1 4.25 0.0068 . 1 . . . . . . . . 5590 1 677 . 1 1 78 78 THR C C 13 177.33 0.156 . 1 . . . . . . . . 5590 1 678 . 1 1 78 78 THR CA C 13 63.84 0.156 . 1 . . . . . . . . 5590 1 679 . 1 1 78 78 THR CB C 13 66.25 0.156 . 1 . . . . . . . . 5590 1 680 . 1 1 78 78 THR CG2 C 13 18.02 0.156 . 2 . . . . . . . . 5590 1 681 . 1 1 78 78 THR N N 15 114.06 0.158 . 1 . . . . . . . . 5590 1 682 . 1 1 79 79 LEU H H 1 8.47 0.0068 . 1 . . . . . . . . 5590 1 683 . 1 1 79 79 LEU HA H 1 4.17 0.0068 . 1 . . . . . . . . 5590 1 684 . 1 1 79 79 LEU HB2 H 1 1.59 0.0068 . 2 . . . . . . . . 5590 1 685 . 1 1 79 79 LEU HD11 H 1 0.89 0.0068 . 2 . . . . . . . . 5590 1 686 . 1 1 79 79 LEU HD12 H 1 0.89 0.0068 . 2 . . . . . . . . 5590 1 687 . 1 1 79 79 LEU HD13 H 1 0.89 0.0068 . 2 . . . . . . . . 5590 1 688 . 1 1 79 79 LEU C C 13 178.04 0.156 . 1 . . . . . . . . 5590 1 689 . 1 1 79 79 LEU CA C 13 56 0.156 . 1 . . . . . . . . 5590 1 690 . 1 1 79 79 LEU CB C 13 39.82 0.156 . 1 . . . . . . . . 5590 1 691 . 1 1 79 79 LEU CD1 C 13 20.02 0.156 . 2 . . . . . . . . 5590 1 692 . 1 1 79 79 LEU N N 15 126.87 0.158 . 1 . . . . . . . . 5590 1 693 . 1 1 80 80 VAL H H 1 8.12 0.0068 . 1 . . . . . . . . 5590 1 694 . 1 1 80 80 VAL HA H 1 3.89 0.0068 . 1 . . . . . . . . 5590 1 695 . 1 1 80 80 VAL HB H 1 2.37 0.0068 . 1 . . . . . . . . 5590 1 696 . 1 1 80 80 VAL HG11 H 1 1 0.0068 . 2 . . . . . . . . 5590 1 697 . 1 1 80 80 VAL HG12 H 1 1 0.0068 . 2 . . . . . . . . 5590 1 698 . 1 1 80 80 VAL HG13 H 1 1 0.0068 . 2 . . . . . . . . 5590 1 699 . 1 1 80 80 VAL C C 13 178.73 0.156 . 1 . . . . . . . . 5590 1 700 . 1 1 80 80 VAL CA C 13 64.68 0.156 . 1 . . . . . . . . 5590 1 701 . 1 1 80 80 VAL CB C 13 29.6 0.156 . 1 . . . . . . . . 5590 1 702 . 1 1 80 80 VAL CG1 C 13 20.93 0.156 . 2 . . . . . . . . 5590 1 703 . 1 1 80 80 VAL N N 15 120 0.158 . 1 . . . . . . . . 5590 1 704 . 1 1 81 81 HIS H H 1 7.7 0.0068 . 1 . . . . . . . . 5590 1 705 . 1 1 81 81 HIS HA H 1 4.66 0.0068 . 1 . . . . . . . . 5590 1 706 . 1 1 81 81 HIS HB2 H 1 3.14 0.0068 . 2 . . . . . . . . 5590 1 707 . 1 1 81 81 HIS C C 13 177.7 0.156 . 1 . . . . . . . . 5590 1 708 . 1 1 81 81 HIS CA C 13 57.96 0.156 . 1 . . . . . . . . 5590 1 709 . 1 1 81 81 HIS CB C 13 27.57 0.156 . 1 . . . . . . . . 5590 1 710 . 1 1 81 81 HIS N N 15 119.2 0.158 . 1 . . . . . . . . 5590 1 711 . 1 1 82 82 THR H H 1 8.53 0.0068 . 1 . . . . . . . . 5590 1 712 . 1 1 82 82 THR HA H 1 4.22 0.0068 . 1 . . . . . . . . 5590 1 713 . 1 1 82 82 THR HB H 1 4.17 0.0068 . 1 . . . . . . . . 5590 1 714 . 1 1 82 82 THR HG21 H 1 0.84 0.0068 . 1 . . . . . . . . 5590 1 715 . 1 1 82 82 THR HG22 H 1 0.84 0.0068 . 1 . . . . . . . . 5590 1 716 . 1 1 82 82 THR HG23 H 1 0.84 0.0068 . 1 . . . . . . . . 5590 1 717 . 1 1 82 82 THR C C 13 175.08 0.156 . 1 . . . . . . . . 5590 1 718 . 1 1 82 82 THR CA C 13 64.81 0.156 . 1 . . . . . . . . 5590 1 719 . 1 1 82 82 THR CB C 13 66.51 0.156 . 1 . . . . . . . . 5590 1 720 . 1 1 82 82 THR CG2 C 13 18.9 0.156 . 2 . . . . . . . . 5590 1 721 . 1 1 82 82 THR N N 15 116.19 0.158 . 1 . . . . . . . . 5590 1 722 . 1 1 83 83 ALA H H 1 8.53 0.0068 . 1 . . . . . . . . 5590 1 723 . 1 1 83 83 ALA HA H 1 3.93 0.0068 . 1 . . . . . . . . 5590 1 724 . 1 1 83 83 ALA HB1 H 1 1.37 0.0068 . 1 . . . . . . . . 5590 1 725 . 1 1 83 83 ALA HB2 H 1 1.37 0.0068 . 1 . . . . . . . . 5590 1 726 . 1 1 83 83 ALA HB3 H 1 1.37 0.0068 . 1 . . . . . . . . 5590 1 727 . 1 1 83 83 ALA C C 13 177.92 0.156 . 1 . . . . . . . . 5590 1 728 . 1 1 83 83 ALA CA C 13 52.08 0.156 . 1 . . . . . . . . 5590 1 729 . 1 1 83 83 ALA CB C 13 16.47 0.156 . 1 . . . . . . . . 5590 1 730 . 1 1 83 83 ALA N N 15 119.95 0.158 . 1 . . . . . . . . 5590 1 731 . 1 1 84 84 SER H H 1 7.58 0.0068 . 1 . . . . . . . . 5590 1 732 . 1 1 84 84 SER HA H 1 4.39 0.0068 . 1 . . . . . . . . 5590 1 733 . 1 1 84 84 SER HB2 H 1 3.94 0.0068 . 2 . . . . . . . . 5590 1 734 . 1 1 84 84 SER C C 13 173.49 0.156 . 1 . . . . . . . . 5590 1 735 . 1 1 84 84 SER CA C 13 57.57 0.156 . 1 . . . . . . . . 5590 1 736 . 1 1 84 84 SER CB C 13 61.95 0.156 . 1 . . . . . . . . 5590 1 737 . 1 1 84 84 SER N N 15 111.06 0.158 . 1 . . . . . . . . 5590 1 738 . 1 1 85 85 ILE H H 1 7.18 0.0068 . 1 . . . . . . . . 5590 1 739 . 1 1 85 85 ILE HA H 1 4.45 0.0068 . 1 . . . . . . . . 5590 1 740 . 1 1 85 85 ILE HB H 1 1.96 0.0068 . 1 . . . . . . . . 5590 1 741 . 1 1 85 85 ILE HG12 H 1 0.76 0.0068 . 2 . . . . . . . . 5590 1 742 . 1 1 85 85 ILE HD11 H 1 0.66 0.0068 . 1 . . . . . . . . 5590 1 743 . 1 1 85 85 ILE HD12 H 1 0.66 0.0068 . 1 . . . . . . . . 5590 1 744 . 1 1 85 85 ILE HD13 H 1 0.66 0.0068 . 1 . . . . . . . . 5590 1 745 . 1 1 85 85 ILE C C 13 174.86 0.156 . 1 . . . . . . . . 5590 1 746 . 1 1 85 85 ILE CA C 13 57.28 0.156 . 1 . . . . . . . . 5590 1 747 . 1 1 85 85 ILE CB C 13 37.26 0.156 . 1 . . . . . . . . 5590 1 748 . 1 1 85 85 ILE CD1 C 13 14.71 0.156 . 2 . . . . . . . . 5590 1 749 . 1 1 85 85 ILE N N 15 118.44 0.158 . 1 . . . . . . . . 5590 1 750 . 1 1 86 86 ALA H H 1 8.18 0.0068 . 1 . . . . . . . . 5590 1 751 . 1 1 86 86 ALA HA H 1 4.45 0.0068 . 1 . . . . . . . . 5590 1 752 . 1 1 86 86 ALA HB1 H 1 1.42 0.0068 . 1 . . . . . . . . 5590 1 753 . 1 1 86 86 ALA HB2 H 1 1.42 0.0068 . 1 . . . . . . . . 5590 1 754 . 1 1 86 86 ALA HB3 H 1 1.42 0.0068 . 1 . . . . . . . . 5590 1 755 . 1 1 86 86 ALA CA C 13 48.75 0.156 . 1 . . . . . . . . 5590 1 756 . 1 1 86 86 ALA CB C 13 15.33 0.156 . 1 . . . . . . . . 5590 1 757 . 1 1 86 86 ALA N N 15 125.57 0.158 . 1 . . . . . . . . 5590 1 758 . 1 1 87 87 PRO HA H 1 4.4 0.0068 . 1 . . . . . . . . 5590 1 759 . 1 1 87 87 PRO HB2 H 1 2.25 0.0068 . 2 . . . . . . . . 5590 1 760 . 1 1 87 87 PRO HG2 H 1 2 0.0068 . 2 . . . . . . . . 5590 1 761 . 1 1 87 87 PRO HD2 H 1 3.84 0.0068 . 2 . . . . . . . . 5590 1 762 . 1 1 87 87 PRO C C 13 179.16 0.156 . 1 . . . . . . . . 5590 1 763 . 1 1 87 87 PRO CA C 13 64.19 0.156 . 1 . . . . . . . . 5590 1 764 . 1 1 87 87 PRO CB C 13 30.09 0.156 . 1 . . . . . . . . 5590 1 765 . 1 1 87 87 PRO CG C 13 25.59 0.156 . 1 . . . . . . . . 5590 1 766 . 1 1 87 87 PRO CD C 13 48.49 0.156 . 1 . . . . . . . . 5590 1 767 . 1 1 88 88 GLN H H 1 8.81 0.0068 . 1 . . . . . . . . 5590 1 768 . 1 1 88 88 GLN HA H 1 4.17 0.0068 . 1 . . . . . . . . 5590 1 769 . 1 1 88 88 GLN HB2 H 1 2.09 0.0068 . 2 . . . . . . . . 5590 1 770 . 1 1 88 88 GLN HG2 H 1 2.48 0.0068 . 2 . . . . . . . . 5590 1 771 . 1 1 88 88 GLN C C 13 176.79 0.156 . 1 . . . . . . . . 5590 1 772 . 1 1 88 88 GLN CA C 13 56.07 0.156 . 1 . . . . . . . . 5590 1 773 . 1 1 88 88 GLN CB C 13 25.75 0.156 . 1 . . . . . . . . 5590 1 774 . 1 1 88 88 GLN CG C 13 31.49 0.156 . 1 . . . . . . . . 5590 1 775 . 1 1 88 88 GLN N N 15 114.4 0.158 . 1 . . . . . . . . 5590 1 776 . 1 1 89 89 GLN H H 1 8.05 0.0068 . 1 . . . . . . . . 5590 1 777 . 1 1 89 89 GLN HA H 1 4.26 0.0068 . 1 . . . . . . . . 5590 1 778 . 1 1 89 89 GLN HB2 H 1 2.07 0.0068 . 2 . . . . . . . . 5590 1 779 . 1 1 89 89 GLN HG2 H 1 2.41 0.0068 . 2 . . . . . . . . 5590 1 780 . 1 1 89 89 GLN C C 13 175.89 0.156 . 1 . . . . . . . . 5590 1 781 . 1 1 89 89 GLN CA C 13 53.27 0.156 . 1 . . . . . . . . 5590 1 782 . 1 1 89 89 GLN CB C 13 27.99 0.156 . 1 . . . . . . . . 5590 1 783 . 1 1 89 89 GLN CG C 13 32.24 0.156 . 1 . . . . . . . . 5590 1 784 . 1 1 89 89 GLN N N 15 116.78 0.158 . 1 . . . . . . . . 5590 1 785 . 1 1 90 90 ARG H H 1 7.29 0.0068 . 1 . . . . . . . . 5590 1 786 . 1 1 90 90 ARG HA H 1 4.16 0.0068 . 1 . . . . . . . . 5590 1 787 . 1 1 90 90 ARG HB2 H 1 1.89 0.0068 . 2 . . . . . . . . 5590 1 788 . 1 1 90 90 ARG HG2 H 1 1.55 0.0068 . 2 . . . . . . . . 5590 1 789 . 1 1 90 90 ARG HD2 H 1 3.18 0.0068 . 2 . . . . . . . . 5590 1 790 . 1 1 90 90 ARG C C 13 180.39 0.156 . 1 . . . . . . . . 5590 1 791 . 1 1 90 90 ARG CA C 13 55.23 0.156 . 1 . . . . . . . . 5590 1 792 . 1 1 90 90 ARG CB C 13 28.44 0.156 . 1 . . . . . . . . 5590 1 793 . 1 1 90 90 ARG CG C 13 25.5 0.156 . 1 . . . . . . . . 5590 1 794 . 1 1 90 90 ARG CD C 13 41.83 0.156 . 1 . . . . . . . . 5590 1 795 . 1 1 90 90 ARG N N 15 120.16 0.158 . 1 . . . . . . . . 5590 1 796 . 1 1 91 91 ARG H H 1 8.52 0.0068 . 1 . . . . . . . . 5590 1 797 . 1 1 91 91 ARG HA H 1 4.64 0.0068 . 1 . . . . . . . . 5590 1 798 . 1 1 91 91 ARG HB2 H 1 1.95 0.0068 . 2 . . . . . . . . 5590 1 799 . 1 1 91 91 ARG HG2 H 1 1.71 0.0068 . 2 . . . . . . . . 5590 1 800 . 1 1 91 91 ARG HD2 H 1 3.26 0.0068 . 2 . . . . . . . . 5590 1 801 . 1 1 91 91 ARG C C 13 176.71 0.156 . 1 . . . . . . . . 5590 1 802 . 1 1 91 91 ARG CA C 13 53.3 0.156 . 1 . . . . . . . . 5590 1 803 . 1 1 91 91 ARG CB C 13 30.6 0.156 . 1 . . . . . . . . 5590 1 804 . 1 1 91 91 ARG CG C 13 24.71 0.156 . 1 . . . . . . . . 5590 1 805 . 1 1 91 91 ARG CD C 13 41.24 0.156 . 1 . . . . . . . . 5590 1 806 . 1 1 91 91 ARG N N 15 122.48 0.158 . 1 . . . . . . . . 5590 1 807 . 1 1 92 92 GLY H H 1 8.51 0.0068 . 1 . . . . . . . . 5590 1 808 . 1 1 92 92 GLY HA2 H 1 3.81 0.0068 . 2 . . . . . . . . 5590 1 809 . 1 1 92 92 GLY C C 13 173.72 0.156 . 1 . . . . . . . . 5590 1 810 . 1 1 92 92 GLY CA C 13 42.09 0.156 . 1 . . . . . . . . 5590 1 811 . 1 1 92 92 GLY N N 15 109.51 0.158 . 1 . . . . . . . . 5590 1 812 . 1 1 93 93 ALA H H 1 8.37 0.0068 . 1 . . . . . . . . 5590 1 813 . 1 1 93 93 ALA HA H 1 4.48 0.0068 . 1 . . . . . . . . 5590 1 814 . 1 1 93 93 ALA HB1 H 1 1.34 0.0068 . 1 . . . . . . . . 5590 1 815 . 1 1 93 93 ALA HB2 H 1 1.34 0.0068 . 1 . . . . . . . . 5590 1 816 . 1 1 93 93 ALA HB3 H 1 1.34 0.0068 . 1 . . . . . . . . 5590 1 817 . 1 1 93 93 ALA CA C 13 49.69 0.156 . 1 . . . . . . . . 5590 1 818 . 1 1 93 93 ALA CB C 13 15.3 0.156 . 1 . . . . . . . . 5590 1 819 . 1 1 93 93 ALA N N 15 125.14 0.158 . 1 . . . . . . . . 5590 1 820 . 1 1 94 94 PRO HA H 1 4.33 0.0068 . 1 . . . . . . . . 5590 1 821 . 1 1 94 94 PRO HB2 H 1 2.14 0.0068 . 2 . . . . . . . . 5590 1 822 . 1 1 94 94 PRO HG2 H 1 1.95 0.0068 . 2 . . . . . . . . 5590 1 823 . 1 1 94 94 PRO HD2 H 1 3.58 0.0068 . 2 . . . . . . . . 5590 1 824 . 1 1 94 94 PRO C C 13 176.69 0.156 . 1 . . . . . . . . 5590 1 825 . 1 1 94 94 PRO CA C 13 61.11 0.156 . 1 . . . . . . . . 5590 1 826 . 1 1 94 94 PRO CB C 13 29.88 0.156 . 1 . . . . . . . . 5590 1 827 . 1 1 94 94 PRO CG C 13 25.59 0.156 . 1 . . . . . . . . 5590 1 828 . 1 1 94 94 PRO CD C 13 48.48 0.156 . 1 . . . . . . . . 5590 1 829 . 1 1 95 95 VAL H H 1 8.15 0.0068 . 1 . . . . . . . . 5590 1 830 . 1 1 95 95 VAL HA H 1 4.3 0.0068 . 1 . . . . . . . . 5590 1 831 . 1 1 95 95 VAL HB H 1 1.78 0.0068 . 1 . . . . . . . . 5590 1 832 . 1 1 95 95 VAL HG11 H 1 0.88 0.0068 . 2 . . . . . . . . 5590 1 833 . 1 1 95 95 VAL HG12 H 1 0.88 0.0068 . 2 . . . . . . . . 5590 1 834 . 1 1 95 95 VAL HG13 H 1 0.88 0.0068 . 2 . . . . . . . . 5590 1 835 . 1 1 95 95 VAL CA C 13 56.96 0.156 . 1 . . . . . . . . 5590 1 836 . 1 1 95 95 VAL CB C 13 32.45 0.156 . 1 . . . . . . . . 5590 1 837 . 1 1 95 95 VAL CG1 C 13 18.59 0.156 . 2 . . . . . . . . 5590 1 838 . 1 1 95 95 VAL N N 15 123 0.158 . 1 . . . . . . . . 5590 1 839 . 1 1 96 96 PRO HA H 1 4.44 0.0068 . 1 . . . . . . . . 5590 1 840 . 1 1 96 96 PRO HB2 H 1 2.14 0.0068 . 2 . . . . . . . . 5590 1 841 . 1 1 96 96 PRO HG2 H 1 1.92 0.0068 . 2 . . . . . . . . 5590 1 842 . 1 1 96 96 PRO HD2 H 1 3.81 0.0068 . 2 . . . . . . . . 5590 1 843 . 1 1 96 96 PRO C C 13 177.88 0.156 . 1 . . . . . . . . 5590 1 844 . 1 1 96 96 PRO CA C 13 60.97 0.156 . 1 . . . . . . . . 5590 1 845 . 1 1 96 96 PRO CB C 13 30.72 0.156 . 1 . . . . . . . . 5590 1 846 . 1 1 96 96 PRO CG C 13 25.59 0.156 . 1 . . . . . . . . 5590 1 847 . 1 1 96 96 PRO CD C 13 48.84 0.156 . 1 . . . . . . . . 5590 1 848 . 1 1 97 97 GLN H H 1 9.06 0.0068 . 1 . . . . . . . . 5590 1 849 . 1 1 97 97 GLN HA H 1 4.37 0.0068 . 1 . . . . . . . . 5590 1 850 . 1 1 97 97 GLN HB2 H 1 2.02 0.0068 . 2 . . . . . . . . 5590 1 851 . 1 1 97 97 GLN HG2 H 1 2.4 0.0068 . 2 . . . . . . . . 5590 1 852 . 1 1 97 97 GLN C C 13 177.04 0.156 . 1 . . . . . . . . 5590 1 853 . 1 1 97 97 GLN CA C 13 56.5 0.156 . 1 . . . . . . . . 5590 1 854 . 1 1 97 97 GLN CB C 13 26.59 0.156 . 1 . . . . . . . . 5590 1 855 . 1 1 97 97 GLN CG C 13 31.34 0.156 . 1 . . . . . . . . 5590 1 856 . 1 1 97 97 GLN N N 15 126.54 0.158 . 1 . . . . . . . . 5590 1 857 . 1 1 98 98 GLU H H 1 9.54 0.0068 . 1 . . . . . . . . 5590 1 858 . 1 1 98 98 GLU HA H 1 4.13 0.0068 . 1 . . . . . . . . 5590 1 859 . 1 1 98 98 GLU HB2 H 1 2.1 0.0068 . 2 . . . . . . . . 5590 1 860 . 1 1 98 98 GLU HG2 H 1 2.42 0.0068 . 2 . . . . . . . . 5590 1 861 . 1 1 98 98 GLU C C 13 179.62 0.156 . 1 . . . . . . . . 5590 1 862 . 1 1 98 98 GLU CA C 13 57 0.156 . 1 . . . . . . . . 5590 1 863 . 1 1 98 98 GLU CB C 13 26.56 0.156 . 1 . . . . . . . . 5590 1 864 . 1 1 98 98 GLU CG C 13 31.66 0.156 . 1 . . . . . . . . 5590 1 865 . 1 1 98 98 GLU N N 15 116.67 0.158 . 1 . . . . . . . . 5590 1 866 . 1 1 99 99 LEU H H 1 7.21 0.0068 . 1 . . . . . . . . 5590 1 867 . 1 1 99 99 LEU HA H 1 4.25 0.0068 . 1 . . . . . . . . 5590 1 868 . 1 1 99 99 LEU HB2 H 1 1.88 0.0068 . 2 . . . . . . . . 5590 1 869 . 1 1 99 99 LEU HG H 1 1.78 0.0068 . 1 . . . . . . . . 5590 1 870 . 1 1 99 99 LEU HD11 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 871 . 1 1 99 99 LEU HD12 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 872 . 1 1 99 99 LEU HD13 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 873 . 1 1 99 99 LEU C C 13 178.63 0.156 . 1 . . . . . . . . 5590 1 874 . 1 1 99 99 LEU CA C 13 55.09 0.156 . 1 . . . . . . . . 5590 1 875 . 1 1 99 99 LEU CB C 13 39.68 0.156 . 1 . . . . . . . . 5590 1 876 . 1 1 99 99 LEU CG C 13 25 0.156 . 1 . . . . . . . . 5590 1 877 . 1 1 99 99 LEU CD1 C 13 21.71 0.156 . 2 . . . . . . . . 5590 1 878 . 1 1 99 99 LEU N N 15 117.99 0.158 . 1 . . . . . . . . 5590 1 879 . 1 1 100 100 LEU H H 1 7.42 0.0068 . 1 . . . . . . . . 5590 1 880 . 1 1 100 100 LEU HA H 1 3.81 0.0068 . 1 . . . . . . . . 5590 1 881 . 1 1 100 100 LEU HB2 H 1 2.07 0.0068 . 2 . . . . . . . . 5590 1 882 . 1 1 100 100 LEU HD11 H 1 0.92 0.0068 . 2 . . . . . . . . 5590 1 883 . 1 1 100 100 LEU HD12 H 1 0.92 0.0068 . 2 . . . . . . . . 5590 1 884 . 1 1 100 100 LEU HD13 H 1 0.92 0.0068 . 2 . . . . . . . . 5590 1 885 . 1 1 100 100 LEU C C 13 178.95 0.156 . 1 . . . . . . . . 5590 1 886 . 1 1 100 100 LEU CA C 13 55.58 0.156 . 1 . . . . . . . . 5590 1 887 . 1 1 100 100 LEU CB C 13 38 0.156 . 1 . . . . . . . . 5590 1 888 . 1 1 100 100 LEU CD1 C 13 23.96 0.156 . 2 . . . . . . . . 5590 1 889 . 1 1 100 100 LEU N N 15 119.88 0.158 . 1 . . . . . . . . 5590 1 890 . 1 1 101 101 ASP H H 1 8.94 0.0068 . 1 . . . . . . . . 5590 1 891 . 1 1 101 101 ASP HA H 1 4.44 0.0068 . 1 . . . . . . . . 5590 1 892 . 1 1 101 101 ASP HB2 H 1 2.76 0.0068 . 2 . . . . . . . . 5590 1 893 . 1 1 101 101 ASP C C 13 176.2 0.156 . 1 . . . . . . . . 5590 1 894 . 1 1 101 101 ASP CA C 13 55.65 0.156 . 1 . . . . . . . . 5590 1 895 . 1 1 101 101 ASP CB C 13 37.86 0.156 . 1 . . . . . . . . 5590 1 896 . 1 1 101 101 ASP N N 15 119.29 0.158 . 1 . . . . . . . . 5590 1 897 . 1 1 102 102 ARG H H 1 7.06 0.0068 . 1 . . . . . . . . 5590 1 898 . 1 1 102 102 ARG HA H 1 4.3 0.0068 . 1 . . . . . . . . 5590 1 899 . 1 1 102 102 ARG HB2 H 1 1.9 0.0068 . 2 . . . . . . . . 5590 1 900 . 1 1 102 102 ARG HD2 H 1 3.11 0.0068 . 2 . . . . . . . . 5590 1 901 . 1 1 102 102 ARG C C 13 180.07 0.156 . 1 . . . . . . . . 5590 1 902 . 1 1 102 102 ARG CA C 13 56.78 0.156 . 1 . . . . . . . . 5590 1 903 . 1 1 102 102 ARG CB C 13 28.64 0.156 . 1 . . . . . . . . 5590 1 904 . 1 1 102 102 ARG CD C 13 41.17 0.156 . 1 . . . . . . . . 5590 1 905 . 1 1 102 102 ARG N N 15 121.22 0.158 . 1 . . . . . . . . 5590 1 906 . 1 1 103 103 VAL H H 1 8.22 0.0068 . 1 . . . . . . . . 5590 1 907 . 1 1 103 103 VAL HA H 1 4.3 0.0068 . 1 . . . . . . . . 5590 1 908 . 1 1 103 103 VAL HB H 1 2.49 0.0068 . 1 . . . . . . . . 5590 1 909 . 1 1 103 103 VAL HG11 H 1 0.91 0.0068 . 2 . . . . . . . . 5590 1 910 . 1 1 103 103 VAL HG12 H 1 0.91 0.0068 . 2 . . . . . . . . 5590 1 911 . 1 1 103 103 VAL HG13 H 1 0.91 0.0068 . 2 . . . . . . . . 5590 1 912 . 1 1 103 103 VAL C C 13 177.46 0.156 . 1 . . . . . . . . 5590 1 913 . 1 1 103 103 VAL CA C 13 64.29 0.156 . 1 . . . . . . . . 5590 1 914 . 1 1 103 103 VAL CB C 13 29.04 0.156 . 1 . . . . . . . . 5590 1 915 . 1 1 103 103 VAL CG1 C 13 20.67 0.156 . 2 . . . . . . . . 5590 1 916 . 1 1 103 103 VAL N N 15 123.36 0.158 . 1 . . . . . . . . 5590 1 917 . 1 1 104 104 LEU H H 1 7.81 0.0068 . 1 . . . . . . . . 5590 1 918 . 1 1 104 104 LEU HA H 1 4.32 0.0068 . 1 . . . . . . . . 5590 1 919 . 1 1 104 104 LEU HB2 H 1 1.64 0.0068 . 2 . . . . . . . . 5590 1 920 . 1 1 104 104 LEU HG H 1 1.64 0.0068 . 2 . . . . . . . . 5590 1 921 . 1 1 104 104 LEU HD11 H 1 0.83 0.0068 . 2 . . . . . . . . 5590 1 922 . 1 1 104 104 LEU HD12 H 1 0.83 0.0068 . 2 . . . . . . . . 5590 1 923 . 1 1 104 104 LEU HD13 H 1 0.83 0.0068 . 2 . . . . . . . . 5590 1 924 . 1 1 104 104 LEU C C 13 180.47 0.156 . 1 . . . . . . . . 5590 1 925 . 1 1 104 104 LEU CA C 13 55.9 0.156 . 1 . . . . . . . . 5590 1 926 . 1 1 104 104 LEU CB C 13 39.14 0.156 . 1 . . . . . . . . 5590 1 927 . 1 1 104 104 LEU CG C 13 24.71 0.156 . 1 . . . . . . . . 5590 1 928 . 1 1 104 104 LEU CD1 C 13 20.12 0.156 . 2 . . . . . . . . 5590 1 929 . 1 1 104 104 LEU N N 15 117.45 0.158 . 1 . . . . . . . . 5590 1 930 . 1 1 105 105 ALA H H 1 8.12 0.0068 . 1 . . . . . . . . 5590 1 931 . 1 1 105 105 ALA HA H 1 4.25 0.0068 . 1 . . . . . . . . 5590 1 932 . 1 1 105 105 ALA HB1 H 1 1.58 0.0068 . 1 . . . . . . . . 5590 1 933 . 1 1 105 105 ALA HB2 H 1 1.58 0.0068 . 1 . . . . . . . . 5590 1 934 . 1 1 105 105 ALA HB3 H 1 1.58 0.0068 . 1 . . . . . . . . 5590 1 935 . 1 1 105 105 ALA C C 13 176.16 0.156 . 1 . . . . . . . . 5590 1 936 . 1 1 105 105 ALA CA C 13 53.03 0.156 . 1 . . . . . . . . 5590 1 937 . 1 1 105 105 ALA CB C 13 16.09 0.156 . 1 . . . . . . . . 5590 1 938 . 1 1 105 105 ALA N N 15 121.66 0.158 . 1 . . . . . . . . 5590 1 939 . 1 1 106 106 ALA H H 1 8.51 0.0068 . 1 . . . . . . . . 5590 1 940 . 1 1 106 106 ALA HA H 1 4.2 0.0068 . 1 . . . . . . . . 5590 1 941 . 1 1 106 106 ALA HB1 H 1 1.52 0.0068 . 1 . . . . . . . . 5590 1 942 . 1 1 106 106 ALA HB2 H 1 1.52 0.0068 . 1 . . . . . . . . 5590 1 943 . 1 1 106 106 ALA HB3 H 1 1.52 0.0068 . 1 . . . . . . . . 5590 1 944 . 1 1 106 106 ALA C C 13 179.46 0.156 . 1 . . . . . . . . 5590 1 945 . 1 1 106 106 ALA CA C 13 53.03 0.156 . 1 . . . . . . . . 5590 1 946 . 1 1 106 106 ALA CB C 13 16.09 0.156 . 1 . . . . . . . . 5590 1 947 . 1 1 106 106 ALA N N 15 122.69 0.158 . 1 . . . . . . . . 5590 1 948 . 1 1 107 107 GLN H H 1 8.87 0.0068 . 1 . . . . . . . . 5590 1 949 . 1 1 107 107 GLN HA H 1 4.16 0.0068 . 1 . . . . . . . . 5590 1 950 . 1 1 107 107 GLN HB2 H 1 2.24 0.0068 . 2 . . . . . . . . 5590 1 951 . 1 1 107 107 GLN HG2 H 1 2.55 0.0068 . 2 . . . . . . . . 5590 1 952 . 1 1 107 107 GLN C C 13 178.8 0.156 . 1 . . . . . . . . 5590 1 953 . 1 1 107 107 GLN CA C 13 56.25 0.156 . 1 . . . . . . . . 5590 1 954 . 1 1 107 107 GLN CB C 13 26.9 0.156 . 1 . . . . . . . . 5590 1 955 . 1 1 107 107 GLN CG C 13 35.32 0.156 . 1 . . . . . . . . 5590 1 956 . 1 1 107 107 GLN N N 15 118.19 0.158 . 1 . . . . . . . . 5590 1 957 . 1 1 108 108 ALA H H 1 8.01 0.0068 . 1 . . . . . . . . 5590 1 958 . 1 1 108 108 ALA HA H 1 4.29 0.0068 . 1 . . . . . . . . 5590 1 959 . 1 1 108 108 ALA HB1 H 1 1.54 0.0068 . 1 . . . . . . . . 5590 1 960 . 1 1 108 108 ALA HB2 H 1 1.54 0.0068 . 1 . . . . . . . . 5590 1 961 . 1 1 108 108 ALA HB3 H 1 1.54 0.0068 . 1 . . . . . . . . 5590 1 962 . 1 1 108 108 ALA C C 13 180 0.156 . 1 . . . . . . . . 5590 1 963 . 1 1 108 108 ALA CA C 13 52.78 0.156 . 1 . . . . . . . . 5590 1 964 . 1 1 108 108 ALA CB C 13 16.22 0.156 . 1 . . . . . . . . 5590 1 965 . 1 1 108 108 ALA N N 15 120.27 0.158 . 1 . . . . . . . . 5590 1 966 . 1 1 109 109 TYR H H 1 8.3 0.0068 . 1 . . . . . . . . 5590 1 967 . 1 1 109 109 TYR HA H 1 4.57 0.0068 . 1 . . . . . . . . 5590 1 968 . 1 1 109 109 TYR HB2 H 1 3.16 0.0068 . 2 . . . . . . . . 5590 1 969 . 1 1 109 109 TYR C C 13 177.71 0.156 . 1 . . . . . . . . 5590 1 970 . 1 1 109 109 TYR CA C 13 59.29 0.156 . 1 . . . . . . . . 5590 1 971 . 1 1 109 109 TYR CB C 13 36.67 0.156 . 1 . . . . . . . . 5590 1 972 . 1 1 109 109 TYR N N 15 119.82 0.158 . 1 . . . . . . . . 5590 1 973 . 1 1 110 110 TRP H H 1 8.1 0.0068 . 1 . . . . . . . . 5590 1 974 . 1 1 110 110 TRP HA H 1 4.56 0.0068 . 1 . . . . . . . . 5590 1 975 . 1 1 110 110 TRP HB2 H 1 3.13 0.0068 . 2 . . . . . . . . 5590 1 976 . 1 1 110 110 TRP HE1 H 1 9.44 0.0068 . 2 . . . . . . . . 5590 1 977 . 1 1 110 110 TRP C C 13 176.74 0.156 . 1 . . . . . . . . 5590 1 978 . 1 1 110 110 TRP CA C 13 56.31 0.156 . 1 . . . . . . . . 5590 1 979 . 1 1 110 110 TRP CB C 13 27.5 0.156 . 1 . . . . . . . . 5590 1 980 . 1 1 110 110 TRP N N 15 115.57 0.158 . 1 . . . . . . . . 5590 1 981 . 1 1 110 110 TRP NE1 N 15 128.4 0.158 . 2 . . . . . . . . 5590 1 982 . 1 1 111 111 SER H H 1 7.74 0.0068 . 1 . . . . . . . . 5590 1 983 . 1 1 111 111 SER HA H 1 4.65 0.0068 . 1 . . . . . . . . 5590 1 984 . 1 1 111 111 SER HB2 H 1 4.14 0.0068 . 2 . . . . . . . . 5590 1 985 . 1 1 111 111 SER C C 13 174.7 0.156 . 1 . . . . . . . . 5590 1 986 . 1 1 111 111 SER CA C 13 57.33 0.156 . 1 . . . . . . . . 5590 1 987 . 1 1 111 111 SER CB C 13 62.19 0.156 . 1 . . . . . . . . 5590 1 988 . 1 1 111 111 SER N N 15 115.27 0.158 . 1 . . . . . . . . 5590 1 989 . 1 1 112 112 VAL H H 1 7.72 0.0068 . 1 . . . . . . . . 5590 1 990 . 1 1 112 112 VAL HA H 1 4.21 0.0068 . 1 . . . . . . . . 5590 1 991 . 1 1 112 112 VAL HB H 1 2.05 0.0068 . 1 . . . . . . . . 5590 1 992 . 1 1 112 112 VAL HG11 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 993 . 1 1 112 112 VAL HG12 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 994 . 1 1 112 112 VAL HG13 H 1 0.9 0.0068 . 2 . . . . . . . . 5590 1 995 . 1 1 112 112 VAL C C 13 176.13 0.156 . 1 . . . . . . . . 5590 1 996 . 1 1 112 112 VAL CA C 13 60.13 0.156 . 1 . . . . . . . . 5590 1 997 . 1 1 112 112 VAL CB C 13 30.11 0.156 . 1 . . . . . . . . 5590 1 998 . 1 1 112 112 VAL CG1 C 13 19.17 0.156 . 2 . . . . . . . . 5590 1 999 . 1 1 112 112 VAL N N 15 120 0.158 . 1 . . . . . . . . 5590 1 1000 . 1 1 113 113 ASP H H 1 8.32 0.0068 . 1 . . . . . . . . 5590 1 1001 . 1 1 113 113 ASP HA H 1 4.89 0.0068 . 1 . . . . . . . . 5590 1 1002 . 1 1 113 113 ASP HB2 H 1 2.73 0.0068 . 2 . . . . . . . . 5590 1 1003 . 1 1 113 113 ASP C C 13 176.91 0.156 . 1 . . . . . . . . 5590 1 1004 . 1 1 113 113 ASP CA C 13 51.5 0.156 . 1 . . . . . . . . 5590 1 1005 . 1 1 113 113 ASP CB C 13 39.49 0.156 . 1 . . . . . . . . 5590 1 1006 . 1 1 113 113 ASP N N 15 123.28 0.158 . 1 . . . . . . . . 5590 1 1007 . 1 1 114 114 SER H H 1 8.35 0.0068 . 1 . . . . . . . . 5590 1 1008 . 1 1 114 114 SER HA H 1 4.33 0.0068 . 1 . . . . . . . . 5590 1 1009 . 1 1 114 114 SER HB2 H 1 3.82 0.0068 . 2 . . . . . . . . 5590 1 1010 . 1 1 114 114 SER C C 13 175.35 0.156 . 1 . . . . . . . . 5590 1 1011 . 1 1 114 114 SER CA C 13 56.63 0.156 . 1 . . . . . . . . 5590 1 1012 . 1 1 114 114 SER CB C 13 61.46 0.156 . 1 . . . . . . . . 5590 1 1013 . 1 1 114 114 SER N N 15 116.67 0.158 . 1 . . . . . . . . 5590 1 1014 . 1 1 115 115 SER H H 1 8.42 0.0068 . 1 . . . . . . . . 5590 1 1015 . 1 1 115 115 SER HA H 1 4.3 0.0068 . 1 . . . . . . . . 5590 1 1016 . 1 1 115 115 SER HB2 H 1 3.91 0.0068 . 2 . . . . . . . . 5590 1 1017 . 1 1 115 115 SER C C 13 175.3 0.156 . 1 . . . . . . . . 5590 1 1018 . 1 1 115 115 SER CA C 13 57.8 0.156 . 1 . . . . . . . . 5590 1 1019 . 1 1 115 115 SER CB C 13 62.05 0.156 . 1 . . . . . . . . 5590 1 1020 . 1 1 115 115 SER N N 15 117.94 0.158 . 1 . . . . . . . . 5590 1 1021 . 1 1 116 116 GLY H H 1 8.34 0.0068 . 1 . . . . . . . . 5590 1 1022 . 1 1 116 116 GLY HA2 H 1 3.92 0.0068 . 2 . . . . . . . . 5590 1 1023 . 1 1 116 116 GLY C C 13 175.03 0.156 . 1 . . . . . . . . 5590 1 1024 . 1 1 116 116 GLY CA C 13 43.39 0.156 . 1 . . . . . . . . 5590 1 1025 . 1 1 116 116 GLY N N 15 110.43 0.158 . 1 . . . . . . . . 5590 1 1026 . 1 1 117 117 ARG H H 1 8.01 0.0068 . 1 . . . . . . . . 5590 1 1027 . 1 1 117 117 ARG HA H 1 4.25 0.0068 . 1 . . . . . . . . 5590 1 1028 . 1 1 117 117 ARG HB2 H 1 1.79 0.0068 . 2 . . . . . . . . 5590 1 1029 . 1 1 117 117 ARG HD2 H 1 3.1 0.0068 . 2 . . . . . . . . 5590 1 1030 . 1 1 117 117 ARG C C 13 176 0.156 . 1 . . . . . . . . 5590 1 1031 . 1 1 117 117 ARG CA C 13 54.38 0.156 . 1 . . . . . . . . 5590 1 1032 . 1 1 117 117 ARG CB C 13 28.76 0.156 . 1 . . . . . . . . 5590 1 1033 . 1 1 117 117 ARG CD C 13 41.76 0.156 . 1 . . . . . . . . 5590 1 1034 . 1 1 117 117 ARG N N 15 123.87 0.158 . 1 . . . . . . . . 5590 1 1035 . 1 1 118 118 ILE H H 1 8.24 0.0068 . 1 . . . . . . . . 5590 1 1036 . 1 1 118 118 ILE HA H 1 4.18 0.0068 . 1 . . . . . . . . 5590 1 1037 . 1 1 118 118 ILE HB H 1 1.8 0.0068 . 1 . . . . . . . . 5590 1 1038 . 1 1 118 118 ILE HG12 H 1 0.84 0.0068 . 2 . . . . . . . . 5590 1 1039 . 1 1 118 118 ILE HD11 H 1 0.79 0.0068 . 1 . . . . . . . . 5590 1 1040 . 1 1 118 118 ILE HD12 H 1 0.79 0.0068 . 1 . . . . . . . . 5590 1 1041 . 1 1 118 118 ILE HD13 H 1 0.79 0.0068 . 1 . . . . . . . . 5590 1 1042 . 1 1 118 118 ILE C C 13 176.18 0.156 . 1 . . . . . . . . 5590 1 1043 . 1 1 118 118 ILE CA C 13 59.31 0.156 . 1 . . . . . . . . 5590 1 1044 . 1 1 118 118 ILE CB C 13 36.32 0.156 . 1 . . . . . . . . 5590 1 1045 . 1 1 118 118 ILE CD1 C 13 15.81 0.156 . 2 . . . . . . . . 5590 1 1046 . 1 1 118 118 ILE N N 15 123.52 0.158 . 1 . . . . . . . . 5590 1 1047 . 1 1 119 119 VAL H H 1 8.32 0.0068 . 1 . . . . . . . . 5590 1 1048 . 1 1 119 119 VAL HA H 1 4.25 0.0068 . 1 . . . . . . . . 5590 1 1049 . 1 1 119 119 VAL HB H 1 2.11 0.0068 . 1 . . . . . . . . 5590 1 1050 . 1 1 119 119 VAL HG11 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 1051 . 1 1 119 119 VAL HG12 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 1052 . 1 1 119 119 VAL HG13 H 1 0.97 0.0068 . 2 . . . . . . . . 5590 1 1053 . 1 1 119 119 VAL C C 13 176.2 0.156 . 1 . . . . . . . . 5590 1 1054 . 1 1 119 119 VAL CA C 13 60.13 0.156 . 1 . . . . . . . . 5590 1 1055 . 1 1 119 119 VAL CB C 13 30.4 0.156 . 1 . . . . . . . . 5590 1 1056 . 1 1 119 119 VAL CG1 C 13 18.19 0.156 . 2 . . . . . . . . 5590 1 1057 . 1 1 119 119 VAL N N 15 125.59 0.158 . 1 . . . . . . . . 5590 1 1058 . 1 1 120 120 THR H H 1 8.226 0.0068 . 1 . . . . . . . . 5590 1 1059 . 1 1 120 120 THR HA H 1 4.479 0.0068 . 1 . . . . . . . . 5590 1 1060 . 1 1 120 120 THR HB H 1 4.346 0.0068 . 1 . . . . . . . . 5590 1 1061 . 1 1 120 120 THR HG21 H 1 1.232 0.0068 . 1 . . . . . . . . 5590 1 1062 . 1 1 120 120 THR HG22 H 1 1.232 0.0068 . 1 . . . . . . . . 5590 1 1063 . 1 1 120 120 THR HG23 H 1 1.232 0.0068 . 1 . . . . . . . . 5590 1 1064 . 1 1 120 120 THR CA C 13 58.97 0.156 . 1 . . . . . . . . 5590 1 1065 . 1 1 120 120 THR CB C 13 67.73 0.156 . 1 . . . . . . . . 5590 1 1066 . 1 1 120 120 THR CG2 C 13 18.09 0.156 . 2 . . . . . . . . 5590 1 1067 . 1 1 120 120 THR N N 15 118 0.158 . 1 . . . . . . . . 5590 1 stop_ save_