data_34026 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34026 _Entry.Title ; NMR solution structure of human FNIII domain 2 of NCAM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-22 _Entry.Accession_date 2016-07-22 _Entry.Last_release_date 2016-09-09 _Entry.Original_release_date 2016-09-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 U. Slapsak U. . . . 34026 2 G. Salzano G. . . . 34026 3 L. Amin L. . . . 34026 4 R. Abskharon R. N.N. . . 34026 5 G. Ilc G. . . . 34026 6 B. Zupancic B. . . . 34026 7 I. Biljan I. . . . 34026 8 J. Plavec J. . . . 34026 9 G. Giachin G. . . . 34026 10 G. Legname G. . . . 34026 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell adhesion' . 34026 'fibronectin type III domain' . 34026 'protein interactions' . 34026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 34026 '15N chemical shifts' 101 34026 '1H chemical shifts' 674 34026 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-02-20 2016-07-22 update BMRB 'update entry citation' 34026 1 . . 2016-09-09 2016-07-22 original author 'original release' 34026 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LKN 'BMRB Entry Tracking System' 34026 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34026 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27535221 _Citation.Full_citation . _Citation.Title ; The N Terminus of the Prion Protein Mediates Functional Interactions with the Neuronal Cell Adhesion Molecule (NCAM) Fibronectin Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 42 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 21857 _Citation.Page_last 21868 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 U. Slapsak U. . . . 34026 1 2 G. Salzano G. . . . 34026 1 3 L. Amin L. . . . 34026 1 4 R. Abskharon R. N.N. . . 34026 1 5 G. Ilc G. . . . 34026 1 6 B. Zupancic B. . . . 34026 1 7 I. Biljan I. . . . 34026 1 8 J. Plavec J. . . . 34026 1 9 G. Giachin G. . . . 34026 1 10 G. Legname G. . . . 34026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34026 _Assembly.ID 1 _Assembly.Name 'Neural cell adhesion molecule 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34026 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Neural cell adhesion molecule 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQPVREPSAPKLEGQMGEDG NSIKVNLIKQDDGGSPIRHY LVRYRALSSEWKPEIRLPSG SDHVMLKSLDWNAEYEVYVV AENQQGKSKAAHFVFRTHHH HHH ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11858.316 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Details about the sequence Residue at position 595 is methionine and was added for the beginning of translation Residues 692-697 on C-terminal represents six histidine residues which were used as His-tag for protein purification ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID NCAM-1 na 34026 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 1 595 MET . 34026 1 2 596 GLN . 34026 1 3 597 PRO . 34026 1 4 598 VAL . 34026 1 5 599 ARG . 34026 1 6 600 GLU . 34026 1 7 601 PRO . 34026 1 8 602 SER . 34026 1 9 603 ALA . 34026 1 10 604 PRO . 34026 1 11 605 LYS . 34026 1 12 606 LEU . 34026 1 13 607 GLU . 34026 1 14 608 GLY . 34026 1 15 609 GLN . 34026 1 16 610 MET . 34026 1 17 611 GLY . 34026 1 18 612 GLU . 34026 1 19 613 ASP . 34026 1 20 614 GLY . 34026 1 21 615 ASN . 34026 1 22 616 SER . 34026 1 23 617 ILE . 34026 1 24 618 LYS . 34026 1 25 619 VAL . 34026 1 26 620 ASN . 34026 1 27 621 LEU . 34026 1 28 622 ILE . 34026 1 29 623 LYS . 34026 1 30 624 GLN . 34026 1 31 625 ASP . 34026 1 32 626 ASP . 34026 1 33 627 GLY . 34026 1 34 628 GLY . 34026 1 35 629 SER . 34026 1 36 630 PRO . 34026 1 37 631 ILE . 34026 1 38 632 ARG . 34026 1 39 633 HIS . 34026 1 40 634 TYR . 34026 1 41 635 LEU . 34026 1 42 636 VAL . 34026 1 43 637 ARG . 34026 1 44 638 TYR . 34026 1 45 639 ARG . 34026 1 46 640 ALA . 34026 1 47 641 LEU . 34026 1 48 642 SER . 34026 1 49 643 SER . 34026 1 50 644 GLU . 34026 1 51 645 TRP . 34026 1 52 646 LYS . 34026 1 53 647 PRO . 34026 1 54 648 GLU . 34026 1 55 649 ILE . 34026 1 56 650 ARG . 34026 1 57 651 LEU . 34026 1 58 652 PRO . 34026 1 59 653 SER . 34026 1 60 654 GLY . 34026 1 61 655 SER . 34026 1 62 656 ASP . 34026 1 63 657 HIS . 34026 1 64 658 VAL . 34026 1 65 659 MET . 34026 1 66 660 LEU . 34026 1 67 661 LYS . 34026 1 68 662 SER . 34026 1 69 663 LEU . 34026 1 70 664 ASP . 34026 1 71 665 TRP . 34026 1 72 666 ASN . 34026 1 73 667 ALA . 34026 1 74 668 GLU . 34026 1 75 669 TYR . 34026 1 76 670 GLU . 34026 1 77 671 VAL . 34026 1 78 672 TYR . 34026 1 79 673 VAL . 34026 1 80 674 VAL . 34026 1 81 675 ALA . 34026 1 82 676 GLU . 34026 1 83 677 ASN . 34026 1 84 678 GLN . 34026 1 85 679 GLN . 34026 1 86 680 GLY . 34026 1 87 681 LYS . 34026 1 88 682 SER . 34026 1 89 683 LYS . 34026 1 90 684 ALA . 34026 1 91 685 ALA . 34026 1 92 686 HIS . 34026 1 93 687 PHE . 34026 1 94 688 VAL . 34026 1 95 689 PHE . 34026 1 96 690 ARG . 34026 1 97 691 THR . 34026 1 98 692 HIS . 34026 1 99 693 HIS . 34026 1 100 694 HIS . 34026 1 101 695 HIS . 34026 1 102 696 HIS . 34026 1 103 697 HIS . 34026 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 . MET 1 1 34026 1 . GLN 2 2 34026 1 . PRO 3 3 34026 1 . VAL 4 4 34026 1 . ARG 5 5 34026 1 . GLU 6 6 34026 1 . PRO 7 7 34026 1 . SER 8 8 34026 1 . ALA 9 9 34026 1 . PRO 10 10 34026 1 . LYS 11 11 34026 1 . LEU 12 12 34026 1 . GLU 13 13 34026 1 . GLY 14 14 34026 1 . GLN 15 15 34026 1 . MET 16 16 34026 1 . GLY 17 17 34026 1 . GLU 18 18 34026 1 . ASP 19 19 34026 1 . GLY 20 20 34026 1 . ASN 21 21 34026 1 . SER 22 22 34026 1 . ILE 23 23 34026 1 . LYS 24 24 34026 1 . VAL 25 25 34026 1 . ASN 26 26 34026 1 . LEU 27 27 34026 1 . ILE 28 28 34026 1 . LYS 29 29 34026 1 . GLN 30 30 34026 1 . ASP 31 31 34026 1 . ASP 32 32 34026 1 . GLY 33 33 34026 1 . GLY 34 34 34026 1 . SER 35 35 34026 1 . PRO 36 36 34026 1 . ILE 37 37 34026 1 . ARG 38 38 34026 1 . HIS 39 39 34026 1 . TYR 40 40 34026 1 . LEU 41 41 34026 1 . VAL 42 42 34026 1 . ARG 43 43 34026 1 . TYR 44 44 34026 1 . ARG 45 45 34026 1 . ALA 46 46 34026 1 . LEU 47 47 34026 1 . SER 48 48 34026 1 . SER 49 49 34026 1 . GLU 50 50 34026 1 . TRP 51 51 34026 1 . LYS 52 52 34026 1 . PRO 53 53 34026 1 . GLU 54 54 34026 1 . ILE 55 55 34026 1 . ARG 56 56 34026 1 . LEU 57 57 34026 1 . PRO 58 58 34026 1 . SER 59 59 34026 1 . GLY 60 60 34026 1 . SER 61 61 34026 1 . ASP 62 62 34026 1 . HIS 63 63 34026 1 . VAL 64 64 34026 1 . MET 65 65 34026 1 . LEU 66 66 34026 1 . LYS 67 67 34026 1 . SER 68 68 34026 1 . LEU 69 69 34026 1 . ASP 70 70 34026 1 . TRP 71 71 34026 1 . ASN 72 72 34026 1 . ALA 73 73 34026 1 . GLU 74 74 34026 1 . TYR 75 75 34026 1 . GLU 76 76 34026 1 . VAL 77 77 34026 1 . TYR 78 78 34026 1 . VAL 79 79 34026 1 . VAL 80 80 34026 1 . ALA 81 81 34026 1 . GLU 82 82 34026 1 . ASN 83 83 34026 1 . GLN 84 84 34026 1 . GLN 85 85 34026 1 . GLY 86 86 34026 1 . LYS 87 87 34026 1 . SER 88 88 34026 1 . LYS 89 89 34026 1 . ALA 90 90 34026 1 . ALA 91 91 34026 1 . HIS 92 92 34026 1 . PHE 93 93 34026 1 . VAL 94 94 34026 1 . PHE 95 95 34026 1 . ARG 96 96 34026 1 . THR 97 97 34026 1 . HIS 98 98 34026 1 . HIS 99 99 34026 1 . HIS 100 100 34026 1 . HIS 101 101 34026 1 . HIS 102 102 34026 1 . HIS 103 103 34026 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 34026 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'NCAM1, NCAM' . 34026 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 34026 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . plazmid . . pET11a . . . 34026 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34026 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.9 mM [U-99% 13C; U-99% 15N] "fibronectin type III domain 2, 20 mM TBS, 150 mM sodium chloride, 10 % [U-2H] D2O, 90 % H2O, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fibronectin type III domain 2' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 34026 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 34026 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34026 1 4 TBS 'natural abundance' . . . . . . 20 . . mM . . . . 34026 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34026 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34026 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34026 1 pH 7.45 . pH 34026 1 pressure 1 . atm 34026 1 temperature 298 . K 34026 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34026 _Software.ID 1 _Software.Name CARA _Software.Version v1.8.42 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34026 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34026 _Software.ID 2 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Doreleijers JF' . . 34026 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34026 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34026 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34026 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34026 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34026 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34026 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34026 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34026 _Software.ID 5 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 34026 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34026 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34026 _Software.ID 6 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 34026 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34026 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34026 _Software.ID 7 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34026 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34026 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 34026 _Software.ID 8 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34026 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34026 8 stop_ save_ save_software_9 _Software.Sf_category software _Software.Sf_framecode software_9 _Software.Entry_ID 34026 _Software.ID 9 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34026 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34026 9 stop_ save_ save_software_10 _Software.Sf_category software _Software.Sf_framecode software_10 _Software.Entry_ID 34026 _Software.ID 10 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Elmar Krieger and Gert Vriend' . . 34026 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34026 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34026 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian VNMRS . 800 . . . 34026 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 34026 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 7 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 8 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 12 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34026 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34026 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 34026 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34026 1 N 15 DSS nitrogen . . . . ppm 0.00 external indirect 0.101329118 . . . . . 34026 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34026 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34026 1 2 '2D 1H-13C HSQC aliphatic' . . . 34026 1 3 '2D 1H-13C HSQC aromatic' . . . 34026 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 9 $software_9 . . 34026 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.751 0.000 . 1 . . . A 595 MET HA . 34026 1 2 . 1 1 1 1 MET HB2 H 1 2.362 0.000 . 2 . . . A 595 MET HB2 . 34026 1 3 . 1 1 1 1 MET HB3 H 1 2.109 0.000 . 2 . . . A 595 MET HB3 . 34026 1 4 . 1 1 1 1 MET HE1 H 1 2.089 0.000 . 1 . . . A 595 MET HE1 . 34026 1 5 . 1 1 1 1 MET HE2 H 1 2.089 0.000 . 1 . . . A 595 MET HE2 . 34026 1 6 . 1 1 1 1 MET HE3 H 1 2.089 0.000 . 1 . . . A 595 MET HE3 . 34026 1 7 . 1 1 1 1 MET CA C 13 62.666 0.000 . 1 . . . A 595 MET CA . 34026 1 8 . 1 1 1 1 MET CB C 13 34.500 0.000 . 1 . . . A 595 MET CB . 34026 1 9 . 1 1 1 1 MET CE C 13 16.930 0.000 . 1 . . . A 595 MET CE . 34026 1 10 . 1 1 2 2 GLN H H 1 8.132 0.000 . 1 . . . A 596 GLN H . 34026 1 11 . 1 1 2 2 GLN HB2 H 1 1.958 0.000 . 1 . . . A 596 GLN HB2 . 34026 1 12 . 1 1 2 2 GLN HB3 H 1 1.813 0.000 . 1 . . . A 596 GLN HB3 . 34026 1 13 . 1 1 2 2 GLN HG2 H 1 2.395 0.000 . 2 . . . A 596 GLN HG2 . 34026 1 14 . 1 1 2 2 GLN HG3 H 1 2.395 0.000 . 2 . . . A 596 GLN HG3 . 34026 1 15 . 1 1 2 2 GLN HE21 H 1 7.596 0.000 . 2 . . . A 596 GLN HE21 . 34026 1 16 . 1 1 2 2 GLN HE22 H 1 6.908 0.000 . 2 . . . A 596 GLN HE22 . 34026 1 17 . 1 1 2 2 GLN CB C 13 32.612 0.000 . 1 . . . A 596 GLN CB . 34026 1 18 . 1 1 2 2 GLN CG C 13 33.536 0.000 . 1 . . . A 596 GLN CG . 34026 1 19 . 1 1 2 2 GLN N N 15 119.044 0.000 . 1 . . . A 596 GLN N . 34026 1 20 . 1 1 2 2 GLN NE2 N 15 112.634 0.000 . 1 . . . A 596 GLN NE2 . 34026 1 21 . 1 1 3 3 PRO HA H 1 4.437 0.000 . 1 . . . A 597 PRO HA . 34026 1 22 . 1 1 3 3 PRO HB2 H 1 2.269 0.000 . 1 . . . A 597 PRO HB2 . 34026 1 23 . 1 1 3 3 PRO HB3 H 1 1.855 0.000 . 1 . . . A 597 PRO HB3 . 34026 1 24 . 1 1 3 3 PRO HG2 H 1 2.126 0.000 . 1 . . . A 597 PRO HG2 . 34026 1 25 . 1 1 3 3 PRO HG3 H 1 2.126 0.000 . 1 . . . A 597 PRO HG3 . 34026 1 26 . 1 1 3 3 PRO HD2 H 1 3.674 0.000 . 1 . . . A 597 PRO HD2 . 34026 1 27 . 1 1 3 3 PRO HD3 H 1 3.814 0.000 . 1 . . . A 597 PRO HD3 . 34026 1 28 . 1 1 3 3 PRO CA C 13 63.086 0.000 . 1 . . . A 597 PRO CA . 34026 1 29 . 1 1 3 3 PRO CB C 13 32.210 0.000 . 1 . . . A 597 PRO CB . 34026 1 30 . 1 1 3 3 PRO CG C 13 27.536 0.000 . 1 . . . A 597 PRO CG . 34026 1 31 . 1 1 3 3 PRO CD C 13 50.776 0.000 . 1 . . . A 597 PRO CD . 34026 1 32 . 1 1 4 4 VAL H H 1 8.051 0.000 . 1 . . . A 598 VAL H . 34026 1 33 . 1 1 4 4 VAL HA H 1 4.334 0.000 . 1 . . . A 598 VAL HA . 34026 1 34 . 1 1 4 4 VAL HB H 1 1.914 0.000 . 1 . . . A 598 VAL HB . 34026 1 35 . 1 1 4 4 VAL HG11 H 1 0.878 0.000 . 2 . . . A 598 VAL HG11 . 34026 1 36 . 1 1 4 4 VAL HG12 H 1 0.878 0.000 . 2 . . . A 598 VAL HG12 . 34026 1 37 . 1 1 4 4 VAL HG13 H 1 0.878 0.000 . 2 . . . A 598 VAL HG13 . 34026 1 38 . 1 1 4 4 VAL HG21 H 1 0.870 0.000 . 2 . . . A 598 VAL HG21 . 34026 1 39 . 1 1 4 4 VAL HG22 H 1 0.870 0.000 . 2 . . . A 598 VAL HG22 . 34026 1 40 . 1 1 4 4 VAL HG23 H 1 0.870 0.000 . 2 . . . A 598 VAL HG23 . 34026 1 41 . 1 1 4 4 VAL CA C 13 62.036 0.000 . 1 . . . A 598 VAL CA . 34026 1 42 . 1 1 4 4 VAL CB C 13 32.896 0.000 . 1 . . . A 598 VAL CB . 34026 1 43 . 1 1 4 4 VAL CG1 C 13 22.328 0.000 . 1 . . . A 598 VAL CG1 . 34026 1 44 . 1 1 4 4 VAL CG2 C 13 20.545 0.000 . 1 . . . A 598 VAL CG2 . 34026 1 45 . 1 1 4 4 VAL N N 15 119.939 0.000 . 1 . . . A 598 VAL N . 34026 1 46 . 1 1 5 5 ARG H H 1 8.742 0.000 . 1 . . . A 599 ARG H . 34026 1 47 . 1 1 5 5 ARG HA H 1 4.634 0.000 . 1 . . . A 599 ARG HA . 34026 1 48 . 1 1 5 5 ARG HB2 H 1 1.890 0.000 . 1 . . . A 599 ARG HB2 . 34026 1 49 . 1 1 5 5 ARG HB3 H 1 1.783 0.000 . 1 . . . A 599 ARG HB3 . 34026 1 50 . 1 1 5 5 ARG HG2 H 1 1.732 0.000 . 1 . . . A 599 ARG HG2 . 34026 1 51 . 1 1 5 5 ARG HG3 H 1 1.604 0.000 . 1 . . . A 599 ARG HG3 . 34026 1 52 . 1 1 5 5 ARG HD2 H 1 3.171 0.000 . 2 . . . A 599 ARG HD2 . 34026 1 53 . 1 1 5 5 ARG HD3 H 1 3.137 0.000 . 2 . . . A 599 ARG HD3 . 34026 1 54 . 1 1 5 5 ARG CA C 13 54.685 0.000 . 1 . . . A 599 ARG CA . 34026 1 55 . 1 1 5 5 ARG CB C 13 32.727 0.000 . 1 . . . A 599 ARG CB . 34026 1 56 . 1 1 5 5 ARG CG C 13 26.543 0.000 . 1 . . . A 599 ARG CG . 34026 1 57 . 1 1 5 5 ARG CD C 13 43.503 0.000 . 1 . . . A 599 ARG CD . 34026 1 58 . 1 1 5 5 ARG N N 15 123.919 0.000 . 1 . . . A 599 ARG N . 34026 1 59 . 1 1 6 6 GLU H H 1 9.138 0.000 . 1 . . . A 600 GLU H . 34026 1 60 . 1 1 6 6 GLU HA H 1 4.356 0.000 . 1 . . . A 600 GLU HA . 34026 1 61 . 1 1 6 6 GLU HB2 H 1 1.727 0.000 . 2 . . . A 600 GLU HB2 . 34026 1 62 . 1 1 6 6 GLU HB3 H 1 1.636 0.000 . 2 . . . A 600 GLU HB3 . 34026 1 63 . 1 1 6 6 GLU HG2 H 1 2.202 0.000 . 2 . . . A 600 GLU HG2 . 34026 1 64 . 1 1 6 6 GLU HG3 H 1 2.202 0.000 . 2 . . . A 600 GLU HG3 . 34026 1 65 . 1 1 6 6 GLU CA C 13 55.821 0.000 . 1 . . . A 600 GLU CA . 34026 1 66 . 1 1 6 6 GLU CB C 13 26.099 0.000 . 1 . . . A 600 GLU CB . 34026 1 67 . 1 1 6 6 GLU CG C 13 35.643 0.000 . 1 . . . A 600 GLU CG . 34026 1 68 . 1 1 6 6 GLU N N 15 119.914 0.000 . 1 . . . A 600 GLU N . 34026 1 69 . 1 1 7 7 PRO HA H 1 4.093 0.000 . 1 . . . A 601 PRO HA . 34026 1 70 . 1 1 7 7 PRO HB2 H 1 1.812 0.000 . 1 . . . A 601 PRO HB2 . 34026 1 71 . 1 1 7 7 PRO HB3 H 1 2.324 0.000 . 1 . . . A 601 PRO HB3 . 34026 1 72 . 1 1 7 7 PRO HG2 H 1 2.208 0.000 . 1 . . . A 601 PRO HG2 . 34026 1 73 . 1 1 7 7 PRO HG3 H 1 2.045 0.000 . 1 . . . A 601 PRO HG3 . 34026 1 74 . 1 1 7 7 PRO HD2 H 1 3.707 0.000 . 1 . . . A 601 PRO HD2 . 34026 1 75 . 1 1 7 7 PRO HD3 H 1 3.056 0.000 . 1 . . . A 601 PRO HD3 . 34026 1 76 . 1 1 7 7 PRO CA C 13 61.997 0.000 . 1 . . . A 601 PRO CA . 34026 1 77 . 1 1 7 7 PRO CB C 13 32.209 0.000 . 1 . . . A 601 PRO CB . 34026 1 78 . 1 1 7 7 PRO CG C 13 28.251 0.000 . 1 . . . A 601 PRO CG . 34026 1 79 . 1 1 7 7 PRO CD C 13 49.957 0.000 . 1 . . . A 601 PRO CD . 34026 1 80 . 1 1 8 8 SER H H 1 8.089 0.000 . 1 . . . A 602 SER H . 34026 1 81 . 1 1 8 8 SER HA H 1 4.494 0.000 . 1 . . . A 602 SER HA . 34026 1 82 . 1 1 8 8 SER HB2 H 1 4.019 0.000 . 2 . . . A 602 SER HB2 . 34026 1 83 . 1 1 8 8 SER HB3 H 1 3.916 0.000 . 2 . . . A 602 SER HB3 . 34026 1 84 . 1 1 8 8 SER CA C 13 59.188 0.000 . 1 . . . A 602 SER CA . 34026 1 85 . 1 1 8 8 SER CB C 13 63.900 0.000 . 1 . . . A 602 SER CB . 34026 1 86 . 1 1 8 8 SER N N 15 115.211 0.000 . 1 . . . A 602 SER N . 34026 1 87 . 1 1 9 9 ALA H H 1 8.774 0.000 . 1 . . . A 603 ALA H . 34026 1 88 . 1 1 9 9 ALA HA H 1 4.518 0.000 . 1 . . . A 603 ALA HA . 34026 1 89 . 1 1 9 9 ALA HB1 H 1 1.358 0.000 . 1 . . . A 603 ALA HB1 . 34026 1 90 . 1 1 9 9 ALA HB2 H 1 1.358 0.000 . 1 . . . A 603 ALA HB2 . 34026 1 91 . 1 1 9 9 ALA HB3 H 1 1.358 0.000 . 1 . . . A 603 ALA HB3 . 34026 1 92 . 1 1 9 9 ALA CA C 13 51.185 0.000 . 1 . . . A 603 ALA CA . 34026 1 93 . 1 1 9 9 ALA CB C 13 17.763 0.000 . 1 . . . A 603 ALA CB . 34026 1 94 . 1 1 9 9 ALA N N 15 127.545 0.000 . 1 . . . A 603 ALA N . 34026 1 95 . 1 1 10 10 PRO HA H 1 4.430 0.000 . 1 . . . A 604 PRO HA . 34026 1 96 . 1 1 10 10 PRO HB2 H 1 1.593 0.000 . 1 . . . A 604 PRO HB2 . 34026 1 97 . 1 1 10 10 PRO HB3 H 1 2.274 0.000 . 1 . . . A 604 PRO HB3 . 34026 1 98 . 1 1 10 10 PRO HG2 H 1 1.762 0.000 . 1 . . . A 604 PRO HG2 . 34026 1 99 . 1 1 10 10 PRO HG3 H 1 1.869 0.000 . 1 . . . A 604 PRO HG3 . 34026 1 100 . 1 1 10 10 PRO HD2 H 1 3.710 0.000 . 1 . . . A 604 PRO HD2 . 34026 1 101 . 1 1 10 10 PRO HD3 H 1 3.901 0.000 . 1 . . . A 604 PRO HD3 . 34026 1 102 . 1 1 10 10 PRO CA C 13 62.419 0.000 . 1 . . . A 604 PRO CA . 34026 1 103 . 1 1 10 10 PRO CB C 13 31.530 0.000 . 1 . . . A 604 PRO CB . 34026 1 104 . 1 1 10 10 PRO CG C 13 27.514 0.000 . 1 . . . A 604 PRO CG . 34026 1 105 . 1 1 10 10 PRO CD C 13 49.323 0.000 . 1 . . . A 604 PRO CD . 34026 1 106 . 1 1 11 11 LYS H H 1 7.954 0.000 . 1 . . . A 605 LYS H . 34026 1 107 . 1 1 11 11 LYS HA H 1 4.572 0.000 . 1 . . . A 605 LYS HA . 34026 1 108 . 1 1 11 11 LYS HB2 H 1 1.862 0.000 . 2 . . . A 605 LYS HB2 . 34026 1 109 . 1 1 11 11 LYS HB3 H 1 1.604 0.000 . 2 . . . A 605 LYS HB3 . 34026 1 110 . 1 1 11 11 LYS HG2 H 1 1.408 0.000 . 2 . . . A 605 LYS HG2 . 34026 1 111 . 1 1 11 11 LYS HG3 H 1 1.367 0.000 . 2 . . . A 605 LYS HG3 . 34026 1 112 . 1 1 11 11 LYS HD2 H 1 1.779 0.000 . 2 . . . A 605 LYS HD2 . 34026 1 113 . 1 1 11 11 LYS HD3 H 1 1.746 0.000 . 2 . . . A 605 LYS HD3 . 34026 1 114 . 1 1 11 11 LYS HE2 H 1 2.720 0.000 . 2 . . . A 605 LYS HE2 . 34026 1 115 . 1 1 11 11 LYS HE3 H 1 2.565 0.000 . 2 . . . A 605 LYS HE3 . 34026 1 116 . 1 1 11 11 LYS CA C 13 55.437 0.000 . 1 . . . A 605 LYS CA . 34026 1 117 . 1 1 11 11 LYS CB C 13 34.499 0.000 . 1 . . . A 605 LYS CB . 34026 1 118 . 1 1 11 11 LYS CG C 13 26.079 0.000 . 1 . . . A 605 LYS CG . 34026 1 119 . 1 1 11 11 LYS CD C 13 29.266 0.000 . 1 . . . A 605 LYS CD . 34026 1 120 . 1 1 11 11 LYS CE C 13 42.169 0.000 . 1 . . . A 605 LYS CE . 34026 1 121 . 1 1 11 11 LYS N N 15 118.146 0.000 . 1 . . . A 605 LYS N . 34026 1 122 . 1 1 12 12 LEU H H 1 8.259 0.000 . 1 . . . A 606 LEU H . 34026 1 123 . 1 1 12 12 LEU HA H 1 5.309 0.000 . 1 . . . A 606 LEU HA . 34026 1 124 . 1 1 12 12 LEU HB2 H 1 1.608 0.000 . 1 . . . A 606 LEU HB2 . 34026 1 125 . 1 1 12 12 LEU HB3 H 1 0.686 0.000 . 1 . . . A 606 LEU HB3 . 34026 1 126 . 1 1 12 12 LEU HG H 1 1.389 0.000 . 1 . . . A 606 LEU HG . 34026 1 127 . 1 1 12 12 LEU HD11 H 1 0.525 0.000 . 1 . . . A 606 LEU HD11 . 34026 1 128 . 1 1 12 12 LEU HD12 H 1 0.525 0.000 . 1 . . . A 606 LEU HD12 . 34026 1 129 . 1 1 12 12 LEU HD13 H 1 0.525 0.000 . 1 . . . A 606 LEU HD13 . 34026 1 130 . 1 1 12 12 LEU HD21 H 1 0.624 0.000 . 1 . . . A 606 LEU HD21 . 34026 1 131 . 1 1 12 12 LEU HD22 H 1 0.624 0.000 . 1 . . . A 606 LEU HD22 . 34026 1 132 . 1 1 12 12 LEU HD23 H 1 0.624 0.000 . 1 . . . A 606 LEU HD23 . 34026 1 133 . 1 1 12 12 LEU CA C 13 53.087 0.000 . 1 . . . A 606 LEU CA . 34026 1 134 . 1 1 12 12 LEU CB C 13 44.810 0.000 . 1 . . . A 606 LEU CB . 34026 1 135 . 1 1 12 12 LEU CG C 13 26.527 0.000 . 1 . . . A 606 LEU CG . 34026 1 136 . 1 1 12 12 LEU CD1 C 13 23.424 0.000 . 1 . . . A 606 LEU CD1 . 34026 1 137 . 1 1 12 12 LEU CD2 C 13 22.899 0.000 . 1 . . . A 606 LEU CD2 . 34026 1 138 . 1 1 12 12 LEU N N 15 120.398 0.000 . 1 . . . A 606 LEU N . 34026 1 139 . 1 1 13 13 GLU H H 1 7.804 0.000 . 1 . . . A 607 GLU H . 34026 1 140 . 1 1 13 13 GLU HA H 1 4.361 0.000 . 1 . . . A 607 GLU HA . 34026 1 141 . 1 1 13 13 GLU HB2 H 1 1.748 0.000 . 1 . . . A 607 GLU HB2 . 34026 1 142 . 1 1 13 13 GLU HB3 H 1 1.940 0.000 . 1 . . . A 607 GLU HB3 . 34026 1 143 . 1 1 13 13 GLU HG2 H 1 2.113 0.000 . 2 . . . A 607 GLU HG2 . 34026 1 144 . 1 1 13 13 GLU HG3 H 1 2.087 0.000 . 2 . . . A 607 GLU HG3 . 34026 1 145 . 1 1 13 13 GLU CA C 13 55.005 0.000 . 1 . . . A 607 GLU CA . 34026 1 146 . 1 1 13 13 GLU CB C 13 33.764 0.000 . 1 . . . A 607 GLU CB . 34026 1 147 . 1 1 13 13 GLU CG C 13 36.299 0.000 . 1 . . . A 607 GLU CG . 34026 1 148 . 1 1 13 13 GLU N N 15 119.643 0.000 . 1 . . . A 607 GLU N . 34026 1 149 . 1 1 14 14 GLY H H 1 8.647 0.000 . 1 . . . A 608 GLY H . 34026 1 150 . 1 1 14 14 GLY HA2 H 1 3.224 0.000 . 1 . . . A 608 GLY HA2 . 34026 1 151 . 1 1 14 14 GLY HA3 H 1 3.208 0.000 . 1 . . . A 608 GLY HA3 . 34026 1 152 . 1 1 14 14 GLY CA C 13 44.818 0.000 . 1 . . . A 608 GLY CA . 34026 1 153 . 1 1 14 14 GLY N N 15 110.927 0.000 . 1 . . . A 608 GLY N . 34026 1 154 . 1 1 15 15 GLN H H 1 8.615 0.000 . 1 . . . A 609 GLN H . 34026 1 155 . 1 1 15 15 GLN HB2 H 1 1.937 0.000 . 1 . . . A 609 GLN HB2 . 34026 1 156 . 1 1 15 15 GLN HB3 H 1 1.882 0.000 . 1 . . . A 609 GLN HB3 . 34026 1 157 . 1 1 15 15 GLN HG2 H 1 2.210 0.000 . 2 . . . A 609 GLN HG2 . 34026 1 158 . 1 1 15 15 GLN HG3 H 1 2.172 0.000 . 2 . . . A 609 GLN HG3 . 34026 1 159 . 1 1 15 15 GLN HE21 H 1 7.561 0.000 . 2 . . . A 609 GLN HE21 . 34026 1 160 . 1 1 15 15 GLN HE22 H 1 6.788 0.000 . 2 . . . A 609 GLN HE22 . 34026 1 161 . 1 1 15 15 GLN CB C 13 31.215 0.000 . 1 . . . A 609 GLN CB . 34026 1 162 . 1 1 15 15 GLN CG C 13 33.522 0.000 . 1 . . . A 609 GLN CG . 34026 1 163 . 1 1 15 15 GLN N N 15 121.929 0.000 . 1 . . . A 609 GLN N . 34026 1 164 . 1 1 15 15 GLN NE2 N 15 112.379 0.000 . 1 . . . A 609 GLN NE2 . 34026 1 165 . 1 1 17 17 GLY H H 1 8.652 0.000 . 1 . . . A 611 GLY H . 34026 1 166 . 1 1 17 17 GLY HA2 H 1 4.096 0.000 . 2 . . . A 611 GLY HA2 . 34026 1 167 . 1 1 17 17 GLY HA3 H 1 3.754 0.000 . 2 . . . A 611 GLY HA3 . 34026 1 168 . 1 1 17 17 GLY CA C 13 44.510 0.000 . 1 . . . A 611 GLY CA . 34026 1 169 . 1 1 17 17 GLY N N 15 111.758 0.000 . 1 . . . A 611 GLY N . 34026 1 170 . 1 1 18 18 GLU H H 1 8.855 0.000 . 1 . . . A 612 GLU H . 34026 1 171 . 1 1 18 18 GLU HA H 1 4.059 0.000 . 1 . . . A 612 GLU HA . 34026 1 172 . 1 1 18 18 GLU HB2 H 1 2.080 0.000 . 2 . . . A 612 GLU HB2 . 34026 1 173 . 1 1 18 18 GLU HB3 H 1 2.004 0.000 . 2 . . . A 612 GLU HB3 . 34026 1 174 . 1 1 18 18 GLU HG2 H 1 2.348 0.000 . 2 . . . A 612 GLU HG2 . 34026 1 175 . 1 1 18 18 GLU HG3 H 1 2.348 0.000 . 2 . . . A 612 GLU HG3 . 34026 1 176 . 1 1 18 18 GLU CA C 13 58.789 0.000 . 1 . . . A 612 GLU CA . 34026 1 177 . 1 1 18 18 GLU CB C 13 29.551 0.000 . 1 . . . A 612 GLU CB . 34026 1 178 . 1 1 18 18 GLU CG C 13 36.512 0.000 . 1 . . . A 612 GLU CG . 34026 1 179 . 1 1 18 18 GLU N N 15 122.511 0.000 . 1 . . . A 612 GLU N . 34026 1 180 . 1 1 19 19 ASP H H 1 8.139 0.000 . 1 . . . A 613 ASP H . 34026 1 181 . 1 1 19 19 ASP HA H 1 4.455 0.000 . 1 . . . A 613 ASP HA . 34026 1 182 . 1 1 19 19 ASP HB2 H 1 3.043 0.000 . 2 . . . A 613 ASP HB2 . 34026 1 183 . 1 1 19 19 ASP HB3 H 1 2.788 0.000 . 2 . . . A 613 ASP HB3 . 34026 1 184 . 1 1 19 19 ASP CA C 13 54.293 0.000 . 1 . . . A 613 ASP CA . 34026 1 185 . 1 1 19 19 ASP CB C 13 40.252 0.000 . 1 . . . A 613 ASP CB . 34026 1 186 . 1 1 19 19 ASP N N 15 115.988 0.000 . 1 . . . A 613 ASP N . 34026 1 187 . 1 1 20 20 GLY H H 1 7.740 0.000 . 1 . . . A 614 GLY H . 34026 1 188 . 1 1 20 20 GLY HA2 H 1 4.427 0.000 . 1 . . . A 614 GLY HA2 . 34026 1 189 . 1 1 20 20 GLY HA3 H 1 3.492 0.000 . 1 . . . A 614 GLY HA3 . 34026 1 190 . 1 1 20 20 GLY CA C 13 46.300 0.000 . 1 . . . A 614 GLY CA . 34026 1 191 . 1 1 20 20 GLY N N 15 107.113 0.000 . 1 . . . A 614 GLY N . 34026 1 192 . 1 1 21 21 ASN H H 1 7.673 0.000 . 1 . . . A 615 ASN H . 34026 1 193 . 1 1 21 21 ASN HA H 1 4.288 0.000 . 1 . . . A 615 ASN HA . 34026 1 194 . 1 1 21 21 ASN HB2 H 1 0.610 0.000 . 1 . . . A 615 ASN HB2 . 34026 1 195 . 1 1 21 21 ASN HB3 H 1 1.986 0.000 . 1 . . . A 615 ASN HB3 . 34026 1 196 . 1 1 21 21 ASN HD21 H 1 6.399 0.000 . 1 . . . A 615 ASN HD21 . 34026 1 197 . 1 1 21 21 ASN HD22 H 1 6.861 0.000 . 1 . . . A 615 ASN HD22 . 34026 1 198 . 1 1 21 21 ASN CA C 13 51.134 0.000 . 1 . . . A 615 ASN CA . 34026 1 199 . 1 1 21 21 ASN CB C 13 35.399 0.000 . 1 . . . A 615 ASN CB . 34026 1 200 . 1 1 21 21 ASN N N 15 118.383 0.000 . 1 . . . A 615 ASN N . 34026 1 201 . 1 1 21 21 ASN ND2 N 15 109.665 0.000 . 1 . . . A 615 ASN ND2 . 34026 1 202 . 1 1 22 22 SER H H 1 7.090 0.000 . 1 . . . A 616 SER H . 34026 1 203 . 1 1 22 22 SER HA H 1 4.836 0.000 . 1 . . . A 616 SER HA . 34026 1 204 . 1 1 22 22 SER HB2 H 1 4.051 0.000 . 2 . . . A 616 SER HB2 . 34026 1 205 . 1 1 22 22 SER HB3 H 1 3.676 0.000 . 2 . . . A 616 SER HB3 . 34026 1 206 . 1 1 22 22 SER CA C 13 56.357 0.000 . 1 . . . A 616 SER CA . 34026 1 207 . 1 1 22 22 SER CB C 13 66.242 0.000 . 1 . . . A 616 SER CB . 34026 1 208 . 1 1 22 22 SER N N 15 109.839 0.000 . 1 . . . A 616 SER N . 34026 1 209 . 1 1 23 23 ILE H H 1 8.765 0.000 . 1 . . . A 617 ILE H . 34026 1 210 . 1 1 23 23 ILE HA H 1 4.361 0.000 . 1 . . . A 617 ILE HA . 34026 1 211 . 1 1 23 23 ILE HB H 1 1.280 0.000 . 1 . . . A 617 ILE HB . 34026 1 212 . 1 1 23 23 ILE HG12 H 1 0.243 0.000 . 1 . . . A 617 ILE HG12 . 34026 1 213 . 1 1 23 23 ILE HG13 H 1 0.924 0.000 . 1 . . . A 617 ILE HG13 . 34026 1 214 . 1 1 23 23 ILE HG21 H 1 0.029 0.000 . 1 . . . A 617 ILE HG21 . 34026 1 215 . 1 1 23 23 ILE HG22 H 1 0.029 0.000 . 1 . . . A 617 ILE HG22 . 34026 1 216 . 1 1 23 23 ILE HG23 H 1 0.029 0.000 . 1 . . . A 617 ILE HG23 . 34026 1 217 . 1 1 23 23 ILE HD11 H 1 -0.065 0.000 . 1 . . . A 617 ILE HD11 . 34026 1 218 . 1 1 23 23 ILE HD12 H 1 -0.065 0.000 . 1 . . . A 617 ILE HD12 . 34026 1 219 . 1 1 23 23 ILE HD13 H 1 -0.065 0.000 . 1 . . . A 617 ILE HD13 . 34026 1 220 . 1 1 23 23 ILE CA C 13 60.111 0.000 . 1 . . . A 617 ILE CA . 34026 1 221 . 1 1 23 23 ILE CB C 13 41.170 0.000 . 1 . . . A 617 ILE CB . 34026 1 222 . 1 1 23 23 ILE CG1 C 13 28.269 0.000 . 1 . . . A 617 ILE CG1 . 34026 1 223 . 1 1 23 23 ILE CG2 C 13 15.452 0.000 . 1 . . . A 617 ILE CG2 . 34026 1 224 . 1 1 23 23 ILE CD1 C 13 13.718 0.000 . 1 . . . A 617 ILE CD1 . 34026 1 225 . 1 1 23 23 ILE N N 15 118.348 0.000 . 1 . . . A 617 ILE N . 34026 1 226 . 1 1 24 24 LYS H H 1 7.924 0.000 . 1 . . . A 618 LYS H . 34026 1 227 . 1 1 24 24 LYS HA H 1 4.692 0.000 . 1 . . . A 618 LYS HA . 34026 1 228 . 1 1 24 24 LYS HB2 H 1 1.737 0.000 . 1 . . . A 618 LYS HB2 . 34026 1 229 . 1 1 24 24 LYS HB3 H 1 1.349 0.000 . 1 . . . A 618 LYS HB3 . 34026 1 230 . 1 1 24 24 LYS HG2 H 1 1.364 0.000 . 2 . . . A 618 LYS HG2 . 34026 1 231 . 1 1 24 24 LYS HG3 H 1 1.188 0.000 . 2 . . . A 618 LYS HG3 . 34026 1 232 . 1 1 24 24 LYS HD2 H 1 1.222 0.000 . 1 . . . A 618 LYS HD2 . 34026 1 233 . 1 1 24 24 LYS HD3 H 1 1.294 0.000 . 1 . . . A 618 LYS HD3 . 34026 1 234 . 1 1 24 24 LYS HE2 H 1 2.297 0.000 . 2 . . . A 618 LYS HE2 . 34026 1 235 . 1 1 24 24 LYS HE3 H 1 2.080 0.000 . 2 . . . A 618 LYS HE3 . 34026 1 236 . 1 1 24 24 LYS CA C 13 54.897 0.000 . 1 . . . A 618 LYS CA . 34026 1 237 . 1 1 24 24 LYS CB C 13 34.835 0.000 . 1 . . . A 618 LYS CB . 34026 1 238 . 1 1 24 24 LYS CG C 13 25.063 0.000 . 1 . . . A 618 LYS CG . 34026 1 239 . 1 1 24 24 LYS CD C 13 29.874 0.000 . 1 . . . A 618 LYS CD . 34026 1 240 . 1 1 24 24 LYS CE C 13 41.142 0.000 . 1 . . . A 618 LYS CE . 34026 1 241 . 1 1 24 24 LYS N N 15 127.909 0.000 . 1 . . . A 618 LYS N . 34026 1 242 . 1 1 25 25 VAL H H 1 8.937 0.000 . 1 . . . A 619 VAL H . 34026 1 243 . 1 1 25 25 VAL HA H 1 4.037 0.000 . 1 . . . A 619 VAL HA . 34026 1 244 . 1 1 25 25 VAL HB H 1 1.938 0.000 . 1 . . . A 619 VAL HB . 34026 1 245 . 1 1 25 25 VAL HG11 H 1 0.425 0.000 . 1 . . . A 619 VAL HG11 . 34026 1 246 . 1 1 25 25 VAL HG12 H 1 0.425 0.000 . 1 . . . A 619 VAL HG12 . 34026 1 247 . 1 1 25 25 VAL HG13 H 1 0.425 0.000 . 1 . . . A 619 VAL HG13 . 34026 1 248 . 1 1 25 25 VAL HG21 H 1 0.310 0.000 . 1 . . . A 619 VAL HG21 . 34026 1 249 . 1 1 25 25 VAL HG22 H 1 0.310 0.000 . 1 . . . A 619 VAL HG22 . 34026 1 250 . 1 1 25 25 VAL HG23 H 1 0.310 0.000 . 1 . . . A 619 VAL HG23 . 34026 1 251 . 1 1 25 25 VAL CA C 13 61.242 0.000 . 1 . . . A 619 VAL CA . 34026 1 252 . 1 1 25 25 VAL CB C 13 31.048 0.000 . 1 . . . A 619 VAL CB . 34026 1 253 . 1 1 25 25 VAL CG1 C 13 20.898 0.000 . 1 . . . A 619 VAL CG1 . 34026 1 254 . 1 1 25 25 VAL CG2 C 13 21.567 0.000 . 1 . . . A 619 VAL CG2 . 34026 1 255 . 1 1 25 25 VAL N N 15 128.111 0.000 . 1 . . . A 619 VAL N . 34026 1 256 . 1 1 26 26 ASN H H 1 8.886 0.000 . 1 . . . A 620 ASN H . 34026 1 257 . 1 1 26 26 ASN HA H 1 4.769 0.000 . 1 . . . A 620 ASN HA . 34026 1 258 . 1 1 26 26 ASN HB2 H 1 2.557 0.000 . 1 . . . A 620 ASN HB2 . 34026 1 259 . 1 1 26 26 ASN HB3 H 1 2.589 0.000 . 1 . . . A 620 ASN HB3 . 34026 1 260 . 1 1 26 26 ASN HD21 H 1 7.128 0.000 . 1 . . . A 620 ASN HD21 . 34026 1 261 . 1 1 26 26 ASN HD22 H 1 6.591 0.000 . 1 . . . A 620 ASN HD22 . 34026 1 262 . 1 1 26 26 ASN CA C 13 53.774 0.000 . 1 . . . A 620 ASN CA . 34026 1 263 . 1 1 26 26 ASN CB C 13 39.595 0.000 . 1 . . . A 620 ASN CB . 34026 1 264 . 1 1 26 26 ASN N N 15 126.050 0.000 . 1 . . . A 620 ASN N . 34026 1 265 . 1 1 26 26 ASN ND2 N 15 111.398 0.004 . 1 . . . A 620 ASN ND2 . 34026 1 266 . 1 1 27 27 LEU H H 1 7.963 0.000 . 1 . . . A 621 LEU H . 34026 1 267 . 1 1 27 27 LEU HA H 1 4.362 0.000 . 1 . . . A 621 LEU HA . 34026 1 268 . 1 1 27 27 LEU HB2 H 1 1.162 0.000 . 1 . . . A 621 LEU HB2 . 34026 1 269 . 1 1 27 27 LEU HB3 H 1 0.695 0.000 . 1 . . . A 621 LEU HB3 . 34026 1 270 . 1 1 27 27 LEU HG H 1 1.048 0.000 . 1 . . . A 621 LEU HG . 34026 1 271 . 1 1 27 27 LEU HD11 H 1 0.022 0.000 . 1 . . . A 621 LEU HD11 . 34026 1 272 . 1 1 27 27 LEU HD12 H 1 0.022 0.000 . 1 . . . A 621 LEU HD12 . 34026 1 273 . 1 1 27 27 LEU HD13 H 1 0.022 0.000 . 1 . . . A 621 LEU HD13 . 34026 1 274 . 1 1 27 27 LEU HD21 H 1 -0.085 0.000 . 1 . . . A 621 LEU HD21 . 34026 1 275 . 1 1 27 27 LEU HD22 H 1 -0.085 0.000 . 1 . . . A 621 LEU HD22 . 34026 1 276 . 1 1 27 27 LEU HD23 H 1 -0.085 0.000 . 1 . . . A 621 LEU HD23 . 34026 1 277 . 1 1 27 27 LEU CA C 13 53.859 0.000 . 1 . . . A 621 LEU CA . 34026 1 278 . 1 1 27 27 LEU CB C 13 42.482 0.000 . 1 . . . A 621 LEU CB . 34026 1 279 . 1 1 27 27 LEU CG C 13 27.381 0.000 . 1 . . . A 621 LEU CG . 34026 1 280 . 1 1 27 27 LEU CD1 C 13 24.207 0.000 . 1 . . . A 621 LEU CD1 . 34026 1 281 . 1 1 27 27 LEU CD2 C 13 24.253 0.000 . 1 . . . A 621 LEU CD2 . 34026 1 282 . 1 1 27 27 LEU N N 15 121.574 0.000 . 1 . . . A 621 LEU N . 34026 1 283 . 1 1 28 28 ILE H H 1 8.952 0.000 . 1 . . . A 622 ILE H . 34026 1 284 . 1 1 28 28 ILE HA H 1 4.151 0.000 . 1 . . . A 622 ILE HA . 34026 1 285 . 1 1 28 28 ILE HB H 1 1.761 0.000 . 1 . . . A 622 ILE HB . 34026 1 286 . 1 1 28 28 ILE HG12 H 1 1.189 0.000 . 1 . . . A 622 ILE HG12 . 34026 1 287 . 1 1 28 28 ILE HG13 H 1 1.189 0.000 . 1 . . . A 622 ILE HG13 . 34026 1 288 . 1 1 28 28 ILE HG21 H 1 0.321 0.000 . 1 . . . A 622 ILE HG21 . 34026 1 289 . 1 1 28 28 ILE HG22 H 1 0.321 0.000 . 1 . . . A 622 ILE HG22 . 34026 1 290 . 1 1 28 28 ILE HG23 H 1 0.321 0.000 . 1 . . . A 622 ILE HG23 . 34026 1 291 . 1 1 28 28 ILE HD11 H 1 0.607 0.000 . 1 . . . A 622 ILE HD11 . 34026 1 292 . 1 1 28 28 ILE HD12 H 1 0.607 0.000 . 1 . . . A 622 ILE HD12 . 34026 1 293 . 1 1 28 28 ILE HD13 H 1 0.607 0.000 . 1 . . . A 622 ILE HD13 . 34026 1 294 . 1 1 28 28 ILE CA C 13 60.416 0.000 . 1 . . . A 622 ILE CA . 34026 1 295 . 1 1 28 28 ILE CB C 13 36.578 0.000 . 1 . . . A 622 ILE CB . 34026 1 296 . 1 1 28 28 ILE CG1 C 13 27.482 0.000 . 1 . . . A 622 ILE CG1 . 34026 1 297 . 1 1 28 28 ILE CG2 C 13 17.604 0.000 . 1 . . . A 622 ILE CG2 . 34026 1 298 . 1 1 28 28 ILE CD1 C 13 12.823 0.000 . 1 . . . A 622 ILE CD1 . 34026 1 299 . 1 1 28 28 ILE N N 15 127.599 0.000 . 1 . . . A 622 ILE N . 34026 1 300 . 1 1 29 29 LYS H H 1 8.352 0.000 . 1 . . . A 623 LYS H . 34026 1 301 . 1 1 29 29 LYS HA H 1 4.103 0.000 . 1 . . . A 623 LYS HA . 34026 1 302 . 1 1 29 29 LYS HB2 H 1 1.881 0.000 . 1 . . . A 623 LYS HB2 . 34026 1 303 . 1 1 29 29 LYS HB3 H 1 1.806 0.000 . 1 . . . A 623 LYS HB3 . 34026 1 304 . 1 1 29 29 LYS HG2 H 1 1.478 0.000 . 2 . . . A 623 LYS HG2 . 34026 1 305 . 1 1 29 29 LYS HG3 H 1 1.452 0.000 . 2 . . . A 623 LYS HG3 . 34026 1 306 . 1 1 29 29 LYS HD2 H 1 1.744 0.000 . 2 . . . A 623 LYS HD2 . 34026 1 307 . 1 1 29 29 LYS HD3 H 1 1.622 0.000 . 2 . . . A 623 LYS HD3 . 34026 1 308 . 1 1 29 29 LYS HE2 H 1 3.049 0.000 . 2 . . . A 623 LYS HE2 . 34026 1 309 . 1 1 29 29 LYS HE3 H 1 3.015 0.000 . 2 . . . A 623 LYS HE3 . 34026 1 310 . 1 1 29 29 LYS CA C 13 58.277 0.000 . 1 . . . A 623 LYS CA . 34026 1 311 . 1 1 29 29 LYS CB C 13 32.708 0.000 . 1 . . . A 623 LYS CB . 34026 1 312 . 1 1 29 29 LYS CG C 13 25.385 0.000 . 1 . . . A 623 LYS CG . 34026 1 313 . 1 1 29 29 LYS CD C 13 29.396 0.000 . 1 . . . A 623 LYS CD . 34026 1 314 . 1 1 29 29 LYS CE C 13 42.748 0.000 . 1 . . . A 623 LYS CE . 34026 1 315 . 1 1 29 29 LYS N N 15 128.080 0.000 . 1 . . . A 623 LYS N . 34026 1 316 . 1 1 30 30 GLN H H 1 8.462 0.000 . 1 . . . A 624 GLN H . 34026 1 317 . 1 1 30 30 GLN HA H 1 4.643 0.000 . 1 . . . A 624 GLN HA . 34026 1 318 . 1 1 30 30 GLN HB2 H 1 1.852 0.000 . 2 . . . A 624 GLN HB2 . 34026 1 319 . 1 1 30 30 GLN HB3 H 1 1.761 0.000 . 2 . . . A 624 GLN HB3 . 34026 1 320 . 1 1 30 30 GLN HG2 H 1 2.686 0.000 . 1 . . . A 624 GLN HG2 . 34026 1 321 . 1 1 30 30 GLN HG3 H 1 2.538 0.000 . 1 . . . A 624 GLN HG3 . 34026 1 322 . 1 1 30 30 GLN HE21 H 1 6.984 0.000 . 1 . . . A 624 GLN HE21 . 34026 1 323 . 1 1 30 30 GLN HE22 H 1 7.282 0.000 . 1 . . . A 624 GLN HE22 . 34026 1 324 . 1 1 30 30 GLN CA C 13 53.478 0.000 . 1 . . . A 624 GLN CA . 34026 1 325 . 1 1 30 30 GLN CB C 13 32.167 0.000 . 1 . . . A 624 GLN CB . 34026 1 326 . 1 1 30 30 GLN CG C 13 34.801 0.000 . 1 . . . A 624 GLN CG . 34026 1 327 . 1 1 30 30 GLN N N 15 122.349 0.000 . 1 . . . A 624 GLN N . 34026 1 328 . 1 1 30 30 GLN NE2 N 15 115.685 0.001 . 1 . . . A 624 GLN NE2 . 34026 1 329 . 1 1 31 31 ASP H H 1 8.051 0.000 . 1 . . . A 625 ASP H . 34026 1 330 . 1 1 31 31 ASP HA H 1 4.393 0.000 . 1 . . . A 625 ASP HA . 34026 1 331 . 1 1 31 31 ASP HB2 H 1 2.737 0.000 . 2 . . . A 625 ASP HB2 . 34026 1 332 . 1 1 31 31 ASP HB3 H 1 2.707 0.000 . 2 . . . A 625 ASP HB3 . 34026 1 333 . 1 1 31 31 ASP CA C 13 55.770 0.000 . 1 . . . A 625 ASP CA . 34026 1 334 . 1 1 31 31 ASP CB C 13 42.236 0.000 . 1 . . . A 625 ASP CB . 34026 1 335 . 1 1 31 31 ASP N N 15 119.939 0.000 . 1 . . . A 625 ASP N . 34026 1 336 . 1 1 32 32 ASP H H 1 8.269 0.000 . 1 . . . A 626 ASP H . 34026 1 337 . 1 1 32 32 ASP HA H 1 4.399 0.000 . 1 . . . A 626 ASP HA . 34026 1 338 . 1 1 32 32 ASP HB2 H 1 2.599 0.000 . 1 . . . A 626 ASP HB2 . 34026 1 339 . 1 1 32 32 ASP HB3 H 1 3.599 0.000 . 1 . . . A 626 ASP HB3 . 34026 1 340 . 1 1 32 32 ASP CA C 13 53.965 0.000 . 1 . . . A 626 ASP CA . 34026 1 341 . 1 1 32 32 ASP CB C 13 41.002 0.000 . 1 . . . A 626 ASP CB . 34026 1 342 . 1 1 32 32 ASP N N 15 124.177 0.000 . 1 . . . A 626 ASP N . 34026 1 343 . 1 1 33 33 GLY H H 1 8.487 0.000 . 1 . . . A 627 GLY H . 34026 1 344 . 1 1 33 33 GLY HA2 H 1 3.399 0.000 . 1 . . . A 627 GLY HA2 . 34026 1 345 . 1 1 33 33 GLY HA3 H 1 3.996 0.000 . 1 . . . A 627 GLY HA3 . 34026 1 346 . 1 1 33 33 GLY CA C 13 45.973 0.000 . 1 . . . A 627 GLY CA . 34026 1 347 . 1 1 33 33 GLY N N 15 106.508 0.000 . 1 . . . A 627 GLY N . 34026 1 348 . 1 1 34 34 GLY H H 1 8.750 0.000 . 1 . . . A 628 GLY H . 34026 1 349 . 1 1 34 34 GLY HA2 H 1 4.378 0.000 . 1 . . . A 628 GLY HA2 . 34026 1 350 . 1 1 34 34 GLY HA3 H 1 3.619 0.000 . 1 . . . A 628 GLY HA3 . 34026 1 351 . 1 1 34 34 GLY CA C 13 44.759 0.000 . 1 . . . A 628 GLY CA . 34026 1 352 . 1 1 34 34 GLY N N 15 106.745 0.000 . 1 . . . A 628 GLY N . 34026 1 353 . 1 1 35 35 SER H H 1 7.180 0.000 . 1 . . . A 629 SER H . 34026 1 354 . 1 1 35 35 SER HA H 1 3.812 0.000 . 1 . . . A 629 SER HA . 34026 1 355 . 1 1 35 35 SER HB2 H 1 3.656 0.000 . 2 . . . A 629 SER HB2 . 34026 1 356 . 1 1 35 35 SER HB3 H 1 3.640 0.000 . 2 . . . A 629 SER HB3 . 34026 1 357 . 1 1 35 35 SER CA C 13 55.627 0.000 . 1 . . . A 629 SER CA . 34026 1 358 . 1 1 35 35 SER CB C 13 64.485 0.000 . 1 . . . A 629 SER CB . 34026 1 359 . 1 1 35 35 SER N N 15 115.971 0.000 . 1 . . . A 629 SER N . 34026 1 360 . 1 1 36 36 PRO HA H 1 4.356 0.000 . 1 . . . A 630 PRO HA . 34026 1 361 . 1 1 36 36 PRO HB2 H 1 1.763 0.000 . 1 . . . A 630 PRO HB2 . 34026 1 362 . 1 1 36 36 PRO HB3 H 1 2.269 0.000 . 1 . . . A 630 PRO HB3 . 34026 1 363 . 1 1 36 36 PRO HG2 H 1 2.001 0.000 . 1 . . . A 630 PRO HG2 . 34026 1 364 . 1 1 36 36 PRO HG3 H 1 2.001 0.000 . 1 . . . A 630 PRO HG3 . 34026 1 365 . 1 1 36 36 PRO HD2 H 1 3.769 0.000 . 2 . . . A 630 PRO HD2 . 34026 1 366 . 1 1 36 36 PRO HD3 H 1 3.632 0.000 . 2 . . . A 630 PRO HD3 . 34026 1 367 . 1 1 36 36 PRO CA C 13 63.200 0.000 . 1 . . . A 630 PRO CA . 34026 1 368 . 1 1 36 36 PRO CB C 13 32.327 0.000 . 1 . . . A 630 PRO CB . 34026 1 369 . 1 1 36 36 PRO CG C 13 27.497 0.000 . 1 . . . A 630 PRO CG . 34026 1 370 . 1 1 36 36 PRO CD C 13 50.861 0.000 . 1 . . . A 630 PRO CD . 34026 1 371 . 1 1 37 37 ILE H H 1 8.740 0.000 . 1 . . . A 631 ILE H . 34026 1 372 . 1 1 37 37 ILE HA H 1 3.524 0.000 . 1 . . . A 631 ILE HA . 34026 1 373 . 1 1 37 37 ILE HB H 1 1.695 0.000 . 1 . . . A 631 ILE HB . 34026 1 374 . 1 1 37 37 ILE HG12 H 1 1.625 0.000 . 1 . . . A 631 ILE HG12 . 34026 1 375 . 1 1 37 37 ILE HG13 H 1 1.042 0.000 . 1 . . . A 631 ILE HG13 . 34026 1 376 . 1 1 37 37 ILE HG21 H 1 0.899 0.000 . 1 . . . A 631 ILE HG21 . 34026 1 377 . 1 1 37 37 ILE HG22 H 1 0.899 0.000 . 1 . . . A 631 ILE HG22 . 34026 1 378 . 1 1 37 37 ILE HG23 H 1 0.899 0.000 . 1 . . . A 631 ILE HG23 . 34026 1 379 . 1 1 37 37 ILE HD11 H 1 0.905 0.000 . 1 . . . A 631 ILE HD11 . 34026 1 380 . 1 1 37 37 ILE HD12 H 1 0.905 0.000 . 1 . . . A 631 ILE HD12 . 34026 1 381 . 1 1 37 37 ILE HD13 H 1 0.905 0.000 . 1 . . . A 631 ILE HD13 . 34026 1 382 . 1 1 37 37 ILE CA C 13 62.583 0.000 . 1 . . . A 631 ILE CA . 34026 1 383 . 1 1 37 37 ILE CB C 13 38.066 0.000 . 1 . . . A 631 ILE CB . 34026 1 384 . 1 1 37 37 ILE CG1 C 13 29.424 0.000 . 1 . . . A 631 ILE CG1 . 34026 1 385 . 1 1 37 37 ILE CG2 C 13 17.528 0.000 . 1 . . . A 631 ILE CG2 . 34026 1 386 . 1 1 37 37 ILE CD1 C 13 12.809 0.000 . 1 . . . A 631 ILE CD1 . 34026 1 387 . 1 1 37 37 ILE N N 15 122.947 0.000 . 1 . . . A 631 ILE N . 34026 1 388 . 1 1 38 38 ARG H H 1 9.246 0.000 . 1 . . . A 632 ARG H . 34026 1 389 . 1 1 38 38 ARG HA H 1 4.195 0.000 . 1 . . . A 632 ARG HA . 34026 1 390 . 1 1 38 38 ARG HB2 H 1 1.604 0.000 . 2 . . . A 632 ARG HB2 . 34026 1 391 . 1 1 38 38 ARG HB3 H 1 1.187 0.000 . 2 . . . A 632 ARG HB3 . 34026 1 392 . 1 1 38 38 ARG HG2 H 1 1.494 0.000 . 2 . . . A 632 ARG HG2 . 34026 1 393 . 1 1 38 38 ARG HG3 H 1 1.463 0.000 . 2 . . . A 632 ARG HG3 . 34026 1 394 . 1 1 38 38 ARG HD2 H 1 2.928 0.000 . 2 . . . A 632 ARG HD2 . 34026 1 395 . 1 1 38 38 ARG HD3 H 1 2.879 0.000 . 2 . . . A 632 ARG HD3 . 34026 1 396 . 1 1 38 38 ARG CA C 13 57.363 0.000 . 1 . . . A 632 ARG CA . 34026 1 397 . 1 1 38 38 ARG CB C 13 31.870 0.000 . 1 . . . A 632 ARG CB . 34026 1 398 . 1 1 38 38 ARG CG C 13 27.215 0.000 . 1 . . . A 632 ARG CG . 34026 1 399 . 1 1 38 38 ARG CD C 13 43.694 0.000 . 1 . . . A 632 ARG CD . 34026 1 400 . 1 1 38 38 ARG N N 15 127.629 0.000 . 1 . . . A 632 ARG N . 34026 1 401 . 1 1 39 39 HIS H H 1 7.093 0.000 . 1 . . . A 633 HIS H . 34026 1 402 . 1 1 39 39 HIS HA H 1 4.724 0.000 . 1 . . . A 633 HIS HA . 34026 1 403 . 1 1 39 39 HIS HB2 H 1 3.526 0.000 . 1 . . . A 633 HIS HB2 . 34026 1 404 . 1 1 39 39 HIS HB3 H 1 2.972 0.000 . 1 . . . A 633 HIS HB3 . 34026 1 405 . 1 1 39 39 HIS HD2 H 1 6.870 0.000 . 1 . . . A 633 HIS HD2 . 34026 1 406 . 1 1 39 39 HIS CA C 13 54.927 0.000 . 1 . . . A 633 HIS CA . 34026 1 407 . 1 1 39 39 HIS CB C 13 33.202 0.000 . 1 . . . A 633 HIS CB . 34026 1 408 . 1 1 39 39 HIS CD2 C 13 119.258 0.000 . 1 . . . A 633 HIS CD2 . 34026 1 409 . 1 1 39 39 HIS N N 15 111.297 0.000 . 1 . . . A 633 HIS N . 34026 1 410 . 1 1 40 40 TYR H H 1 9.006 0.000 . 1 . . . A 634 TYR H . 34026 1 411 . 1 1 40 40 TYR HA H 1 5.465 0.000 . 1 . . . A 634 TYR HA . 34026 1 412 . 1 1 40 40 TYR HB2 H 1 2.658 0.000 . 1 . . . A 634 TYR HB2 . 34026 1 413 . 1 1 40 40 TYR HB3 H 1 2.599 0.000 . 1 . . . A 634 TYR HB3 . 34026 1 414 . 1 1 40 40 TYR HD1 H 1 6.730 0.000 . 1 . . . A 634 TYR HD1 . 34026 1 415 . 1 1 40 40 TYR HD2 H 1 6.730 0.000 . 1 . . . A 634 TYR HD2 . 34026 1 416 . 1 1 40 40 TYR HE1 H 1 6.816 0.000 . 1 . . . A 634 TYR HE1 . 34026 1 417 . 1 1 40 40 TYR HE2 H 1 6.816 0.000 . 1 . . . A 634 TYR HE2 . 34026 1 418 . 1 1 40 40 TYR CA C 13 56.745 0.000 . 1 . . . A 634 TYR CA . 34026 1 419 . 1 1 40 40 TYR CB C 13 41.258 0.000 . 1 . . . A 634 TYR CB . 34026 1 420 . 1 1 40 40 TYR CD1 C 13 132.701 0.000 . 1 . . . A 634 TYR CD1 . 34026 1 421 . 1 1 40 40 TYR CD2 C 13 132.701 0.000 . 1 . . . A 634 TYR CD2 . 34026 1 422 . 1 1 40 40 TYR CE1 C 13 118.038 0.000 . 1 . . . A 634 TYR CE1 . 34026 1 423 . 1 1 40 40 TYR CE2 C 13 118.038 0.000 . 1 . . . A 634 TYR CE2 . 34026 1 424 . 1 1 40 40 TYR N N 15 115.239 0.000 . 1 . . . A 634 TYR N . 34026 1 425 . 1 1 41 41 LEU H H 1 9.459 0.000 . 1 . . . A 635 LEU H . 34026 1 426 . 1 1 41 41 LEU HA H 1 5.249 0.000 . 1 . . . A 635 LEU HA . 34026 1 427 . 1 1 41 41 LEU HB2 H 1 1.409 0.000 . 1 . . . A 635 LEU HB2 . 34026 1 428 . 1 1 41 41 LEU HB3 H 1 1.723 0.000 . 1 . . . A 635 LEU HB3 . 34026 1 429 . 1 1 41 41 LEU HG H 1 1.324 0.000 . 1 . . . A 635 LEU HG . 34026 1 430 . 1 1 41 41 LEU HD11 H 1 0.685 0.000 . 2 . . . A 635 LEU HD11 . 34026 1 431 . 1 1 41 41 LEU HD12 H 1 0.685 0.000 . 2 . . . A 635 LEU HD12 . 34026 1 432 . 1 1 41 41 LEU HD13 H 1 0.685 0.000 . 2 . . . A 635 LEU HD13 . 34026 1 433 . 1 1 41 41 LEU HD21 H 1 0.817 0.000 . 2 . . . A 635 LEU HD21 . 34026 1 434 . 1 1 41 41 LEU HD22 H 1 0.817 0.000 . 2 . . . A 635 LEU HD22 . 34026 1 435 . 1 1 41 41 LEU HD23 H 1 0.817 0.000 . 2 . . . A 635 LEU HD23 . 34026 1 436 . 1 1 41 41 LEU CA C 13 53.591 0.000 . 1 . . . A 635 LEU CA . 34026 1 437 . 1 1 41 41 LEU CB C 13 43.338 0.000 . 1 . . . A 635 LEU CB . 34026 1 438 . 1 1 41 41 LEU CG C 13 27.556 0.000 . 1 . . . A 635 LEU CG . 34026 1 439 . 1 1 41 41 LEU CD1 C 13 24.895 0.000 . 1 . . . A 635 LEU CD1 . 34026 1 440 . 1 1 41 41 LEU CD2 C 13 23.646 0.000 . 1 . . . A 635 LEU CD2 . 34026 1 441 . 1 1 41 41 LEU N N 15 122.320 0.000 . 1 . . . A 635 LEU N . 34026 1 442 . 1 1 42 42 VAL H H 1 9.505 0.000 . 1 . . . A 636 VAL H . 34026 1 443 . 1 1 42 42 VAL HA H 1 5.072 0.000 . 1 . . . A 636 VAL HA . 34026 1 444 . 1 1 42 42 VAL HB H 1 2.244 0.000 . 1 . . . A 636 VAL HB . 34026 1 445 . 1 1 42 42 VAL HG11 H 1 0.922 0.000 . 1 . . . A 636 VAL HG11 . 34026 1 446 . 1 1 42 42 VAL HG12 H 1 0.922 0.000 . 1 . . . A 636 VAL HG12 . 34026 1 447 . 1 1 42 42 VAL HG13 H 1 0.922 0.000 . 1 . . . A 636 VAL HG13 . 34026 1 448 . 1 1 42 42 VAL HG21 H 1 0.638 0.000 . 1 . . . A 636 VAL HG21 . 34026 1 449 . 1 1 42 42 VAL HG22 H 1 0.638 0.000 . 1 . . . A 636 VAL HG22 . 34026 1 450 . 1 1 42 42 VAL HG23 H 1 0.638 0.000 . 1 . . . A 636 VAL HG23 . 34026 1 451 . 1 1 42 42 VAL CA C 13 61.173 0.000 . 1 . . . A 636 VAL CA . 34026 1 452 . 1 1 42 42 VAL CB C 13 34.180 0.000 . 1 . . . A 636 VAL CB . 34026 1 453 . 1 1 42 42 VAL CG1 C 13 20.618 0.000 . 1 . . . A 636 VAL CG1 . 34026 1 454 . 1 1 42 42 VAL CG2 C 13 20.424 0.000 . 1 . . . A 636 VAL CG2 . 34026 1 455 . 1 1 42 42 VAL N N 15 125.443 0.000 . 1 . . . A 636 VAL N . 34026 1 456 . 1 1 43 43 ARG H H 1 9.187 0.000 . 1 . . . A 637 ARG H . 34026 1 457 . 1 1 43 43 ARG HA H 1 5.729 0.000 . 1 . . . A 637 ARG HA . 34026 1 458 . 1 1 43 43 ARG HB2 H 1 1.573 0.000 . 1 . . . A 637 ARG HB2 . 34026 1 459 . 1 1 43 43 ARG HB3 H 1 1.788 0.000 . 1 . . . A 637 ARG HB3 . 34026 1 460 . 1 1 43 43 ARG HG2 H 1 1.592 0.000 . 1 . . . A 637 ARG HG2 . 34026 1 461 . 1 1 43 43 ARG HG3 H 1 1.551 0.000 . 1 . . . A 637 ARG HG3 . 34026 1 462 . 1 1 43 43 ARG HD2 H 1 2.883 0.000 . 2 . . . A 637 ARG HD2 . 34026 1 463 . 1 1 43 43 ARG HD3 H 1 2.871 0.000 . 2 . . . A 637 ARG HD3 . 34026 1 464 . 1 1 43 43 ARG CA C 13 53.950 0.000 . 1 . . . A 637 ARG CA . 34026 1 465 . 1 1 43 43 ARG CB C 13 34.643 0.000 . 1 . . . A 637 ARG CB . 34026 1 466 . 1 1 43 43 ARG CG C 13 27.890 0.000 . 1 . . . A 637 ARG CG . 34026 1 467 . 1 1 43 43 ARG CD C 13 43.630 0.000 . 1 . . . A 637 ARG CD . 34026 1 468 . 1 1 43 43 ARG N N 15 126.553 0.000 . 1 . . . A 637 ARG N . 34026 1 469 . 1 1 44 44 TYR H H 1 9.529 0.000 . 1 . . . A 638 TYR H . 34026 1 470 . 1 1 44 44 TYR HA H 1 6.263 0.000 . 1 . . . A 638 TYR HA . 34026 1 471 . 1 1 44 44 TYR HB2 H 1 3.307 0.000 . 1 . . . A 638 TYR HB2 . 34026 1 472 . 1 1 44 44 TYR HB3 H 1 3.136 0.000 . 1 . . . A 638 TYR HB3 . 34026 1 473 . 1 1 44 44 TYR HD1 H 1 6.947 0.000 . 1 . . . A 638 TYR HD1 . 34026 1 474 . 1 1 44 44 TYR HD2 H 1 6.947 0.000 . 1 . . . A 638 TYR HD2 . 34026 1 475 . 1 1 44 44 TYR HE1 H 1 6.741 0.000 . 1 . . . A 638 TYR HE1 . 34026 1 476 . 1 1 44 44 TYR HE2 H 1 6.741 0.000 . 1 . . . A 638 TYR HE2 . 34026 1 477 . 1 1 44 44 TYR CA C 13 55.996 0.000 . 1 . . . A 638 TYR CA . 34026 1 478 . 1 1 44 44 TYR CB C 13 43.547 0.000 . 1 . . . A 638 TYR CB . 34026 1 479 . 1 1 44 44 TYR CD1 C 13 133.036 0.000 . 1 . . . A 638 TYR CD1 . 34026 1 480 . 1 1 44 44 TYR CD2 C 13 133.036 0.000 . 1 . . . A 638 TYR CD2 . 34026 1 481 . 1 1 44 44 TYR CE1 C 13 118.248 0.000 . 1 . . . A 638 TYR CE1 . 34026 1 482 . 1 1 44 44 TYR CE2 C 13 118.248 0.000 . 1 . . . A 638 TYR CE2 . 34026 1 483 . 1 1 44 44 TYR N N 15 120.802 0.000 . 1 . . . A 638 TYR N . 34026 1 484 . 1 1 45 45 ARG H H 1 8.589 0.000 . 1 . . . A 639 ARG H . 34026 1 485 . 1 1 45 45 ARG HA H 1 4.448 0.000 . 1 . . . A 639 ARG HA . 34026 1 486 . 1 1 45 45 ARG HB2 H 1 1.013 0.000 . 1 . . . A 639 ARG HB2 . 34026 1 487 . 1 1 45 45 ARG HB3 H 1 1.266 0.000 . 1 . . . A 639 ARG HB3 . 34026 1 488 . 1 1 45 45 ARG HG2 H 1 1.938 0.000 . 1 . . . A 639 ARG HG2 . 34026 1 489 . 1 1 45 45 ARG HG3 H 1 1.799 0.000 . 1 . . . A 639 ARG HG3 . 34026 1 490 . 1 1 45 45 ARG HD2 H 1 0.456 0.000 . 1 . . . A 639 ARG HD2 . 34026 1 491 . 1 1 45 45 ARG HD3 H 1 2.161 0.000 . 1 . . . A 639 ARG HD3 . 34026 1 492 . 1 1 45 45 ARG CA C 13 54.616 0.000 . 1 . . . A 639 ARG CA . 34026 1 493 . 1 1 45 45 ARG CB C 13 33.038 0.000 . 1 . . . A 639 ARG CB . 34026 1 494 . 1 1 45 45 ARG CG C 13 24.742 0.000 . 1 . . . A 639 ARG CG . 34026 1 495 . 1 1 45 45 ARG CD C 13 42.625 0.000 . 1 . . . A 639 ARG CD . 34026 1 496 . 1 1 45 45 ARG N N 15 112.786 0.000 . 1 . . . A 639 ARG N . 34026 1 497 . 1 1 46 46 ALA H H 1 8.604 0.000 . 1 . . . A 640 ALA H . 34026 1 498 . 1 1 46 46 ALA HA H 1 3.929 0.000 . 1 . . . A 640 ALA HA . 34026 1 499 . 1 1 46 46 ALA HB1 H 1 0.791 0.000 . 1 . . . A 640 ALA HB1 . 34026 1 500 . 1 1 46 46 ALA HB2 H 1 0.791 0.000 . 1 . . . A 640 ALA HB2 . 34026 1 501 . 1 1 46 46 ALA HB3 H 1 0.791 0.000 . 1 . . . A 640 ALA HB3 . 34026 1 502 . 1 1 46 46 ALA CA C 13 50.971 0.000 . 1 . . . A 640 ALA CA . 34026 1 503 . 1 1 46 46 ALA CB C 13 17.247 0.000 . 1 . . . A 640 ALA CB . 34026 1 504 . 1 1 46 46 ALA N N 15 125.358 0.000 . 1 . . . A 640 ALA N . 34026 1 505 . 1 1 47 47 LEU H H 1 8.070 0.000 . 1 . . . A 641 LEU H . 34026 1 506 . 1 1 47 47 LEU HA H 1 3.548 0.000 . 1 . . . A 641 LEU HA . 34026 1 507 . 1 1 47 47 LEU HB2 H 1 1.383 0.000 . 1 . . . A 641 LEU HB2 . 34026 1 508 . 1 1 47 47 LEU HB3 H 1 1.395 0.000 . 1 . . . A 641 LEU HB3 . 34026 1 509 . 1 1 47 47 LEU HG H 1 1.008 0.000 . 1 . . . A 641 LEU HG . 34026 1 510 . 1 1 47 47 LEU HD11 H 1 0.854 0.000 . 2 . . . A 641 LEU HD11 . 34026 1 511 . 1 1 47 47 LEU HD12 H 1 0.854 0.000 . 2 . . . A 641 LEU HD12 . 34026 1 512 . 1 1 47 47 LEU HD13 H 1 0.854 0.000 . 2 . . . A 641 LEU HD13 . 34026 1 513 . 1 1 47 47 LEU HD21 H 1 0.637 0.000 . 2 . . . A 641 LEU HD21 . 34026 1 514 . 1 1 47 47 LEU HD22 H 1 0.637 0.000 . 2 . . . A 641 LEU HD22 . 34026 1 515 . 1 1 47 47 LEU HD23 H 1 0.637 0.000 . 2 . . . A 641 LEU HD23 . 34026 1 516 . 1 1 47 47 LEU CA C 13 57.252 0.000 . 1 . . . A 641 LEU CA . 34026 1 517 . 1 1 47 47 LEU CB C 13 40.572 0.000 . 1 . . . A 641 LEU CB . 34026 1 518 . 1 1 47 47 LEU CG C 13 27.493 0.000 . 1 . . . A 641 LEU CG . 34026 1 519 . 1 1 47 47 LEU CD1 C 13 25.064 0.000 . 1 . . . A 641 LEU CD1 . 34026 1 520 . 1 1 47 47 LEU CD2 C 13 22.900 0.000 . 1 . . . A 641 LEU CD2 . 34026 1 521 . 1 1 47 47 LEU N N 15 121.840 0.000 . 1 . . . A 641 LEU N . 34026 1 522 . 1 1 48 48 SER H H 1 7.963 0.000 . 1 . . . A 642 SER H . 34026 1 523 . 1 1 48 48 SER HA H 1 4.120 0.000 . 1 . . . A 642 SER HA . 34026 1 524 . 1 1 48 48 SER HB2 H 1 3.989 0.000 . 2 . . . A 642 SER HB2 . 34026 1 525 . 1 1 48 48 SER HB3 H 1 3.827 0.000 . 2 . . . A 642 SER HB3 . 34026 1 526 . 1 1 48 48 SER CA C 13 58.781 0.000 . 1 . . . A 642 SER CA . 34026 1 527 . 1 1 48 48 SER CB C 13 63.201 0.000 . 1 . . . A 642 SER CB . 34026 1 528 . 1 1 48 48 SER N N 15 110.660 0.000 . 1 . . . A 642 SER N . 34026 1 529 . 1 1 49 49 SER H H 1 7.801 0.000 . 1 . . . A 643 SER H . 34026 1 530 . 1 1 49 49 SER HA H 1 4.760 0.000 . 1 . . . A 643 SER HA . 34026 1 531 . 1 1 49 49 SER HB2 H 1 3.749 0.000 . 1 . . . A 643 SER HB2 . 34026 1 532 . 1 1 49 49 SER HB3 H 1 3.837 0.000 . 1 . . . A 643 SER HB3 . 34026 1 533 . 1 1 49 49 SER CA C 13 56.586 0.000 . 1 . . . A 643 SER CA . 34026 1 534 . 1 1 49 49 SER CB C 13 64.618 0.000 . 1 . . . A 643 SER CB . 34026 1 535 . 1 1 49 49 SER N N 15 116.922 0.000 . 1 . . . A 643 SER N . 34026 1 536 . 1 1 50 50 GLU H H 1 8.247 0.000 . 1 . . . A 644 GLU H . 34026 1 537 . 1 1 50 50 GLU HA H 1 4.330 0.000 . 1 . . . A 644 GLU HA . 34026 1 538 . 1 1 50 50 GLU HB2 H 1 2.074 0.000 . 2 . . . A 644 GLU HB2 . 34026 1 539 . 1 1 50 50 GLU HB3 H 1 1.938 0.000 . 2 . . . A 644 GLU HB3 . 34026 1 540 . 1 1 50 50 GLU HG2 H 1 2.379 0.000 . 2 . . . A 644 GLU HG2 . 34026 1 541 . 1 1 50 50 GLU HG3 H 1 2.285 0.000 . 2 . . . A 644 GLU HG3 . 34026 1 542 . 1 1 50 50 GLU CA C 13 55.565 0.000 . 1 . . . A 644 GLU CA . 34026 1 543 . 1 1 50 50 GLU CB C 13 30.912 0.000 . 1 . . . A 644 GLU CB . 34026 1 544 . 1 1 50 50 GLU CG C 13 35.944 0.000 . 1 . . . A 644 GLU CG . 34026 1 545 . 1 1 50 50 GLU N N 15 119.449 0.000 . 1 . . . A 644 GLU N . 34026 1 546 . 1 1 51 51 TRP H H 1 7.959 0.000 . 1 . . . A 645 TRP H . 34026 1 547 . 1 1 51 51 TRP HA H 1 4.306 0.000 . 1 . . . A 645 TRP HA . 34026 1 548 . 1 1 51 51 TRP HB2 H 1 2.964 0.000 . 1 . . . A 645 TRP HB2 . 34026 1 549 . 1 1 51 51 TRP HB3 H 1 3.326 0.000 . 1 . . . A 645 TRP HB3 . 34026 1 550 . 1 1 51 51 TRP HD1 H 1 7.448 0.000 . 1 . . . A 645 TRP HD1 . 34026 1 551 . 1 1 51 51 TRP HE1 H 1 10.196 0.000 . 1 . . . A 645 TRP HE1 . 34026 1 552 . 1 1 51 51 TRP HE3 H 1 7.465 0.000 . 1 . . . A 645 TRP HE3 . 34026 1 553 . 1 1 51 51 TRP HZ2 H 1 7.424 0.000 . 1 . . . A 645 TRP HZ2 . 34026 1 554 . 1 1 51 51 TRP HZ3 H 1 6.988 0.000 . 1 . . . A 645 TRP HZ3 . 34026 1 555 . 1 1 51 51 TRP HH2 H 1 7.029 0.000 . 1 . . . A 645 TRP HH2 . 34026 1 556 . 1 1 51 51 TRP CA C 13 58.470 0.000 . 1 . . . A 645 TRP CA . 34026 1 557 . 1 1 51 51 TRP CB C 13 29.704 0.000 . 1 . . . A 645 TRP CB . 34026 1 558 . 1 1 51 51 TRP CD1 C 13 128.200 0.000 . 1 . . . A 645 TRP CD1 . 34026 1 559 . 1 1 51 51 TRP CE3 C 13 120.274 0.000 . 1 . . . A 645 TRP CE3 . 34026 1 560 . 1 1 51 51 TRP CZ2 C 13 114.768 0.000 . 1 . . . A 645 TRP CZ2 . 34026 1 561 . 1 1 51 51 TRP CZ3 C 13 122.063 0.000 . 1 . . . A 645 TRP CZ3 . 34026 1 562 . 1 1 51 51 TRP CH2 C 13 124.801 0.000 . 1 . . . A 645 TRP CH2 . 34026 1 563 . 1 1 51 51 TRP N N 15 120.930 0.000 . 1 . . . A 645 TRP N . 34026 1 564 . 1 1 51 51 TRP NE1 N 15 129.817 0.000 . 1 . . . A 645 TRP NE1 . 34026 1 565 . 1 1 52 52 LYS H H 1 8.064 0.000 . 1 . . . A 646 LYS H . 34026 1 566 . 1 1 52 52 LYS HA H 1 4.474 0.000 . 1 . . . A 646 LYS HA . 34026 1 567 . 1 1 52 52 LYS HB2 H 1 1.744 0.000 . 1 . . . A 646 LYS HB2 . 34026 1 568 . 1 1 52 52 LYS HB3 H 1 1.621 0.000 . 1 . . . A 646 LYS HB3 . 34026 1 569 . 1 1 52 52 LYS CA C 13 54.219 0.000 . 1 . . . A 646 LYS CA . 34026 1 570 . 1 1 52 52 LYS CB C 13 29.557 0.000 . 1 . . . A 646 LYS CB . 34026 1 571 . 1 1 52 52 LYS N N 15 123.648 0.000 . 1 . . . A 646 LYS N . 34026 1 572 . 1 1 53 53 PRO HA H 1 4.378 0.000 . 1 . . . A 647 PRO HA . 34026 1 573 . 1 1 53 53 PRO HB2 H 1 2.376 0.000 . 1 . . . A 647 PRO HB2 . 34026 1 574 . 1 1 53 53 PRO HB3 H 1 1.851 0.000 . 1 . . . A 647 PRO HB3 . 34026 1 575 . 1 1 53 53 PRO HG2 H 1 2.208 0.000 . 2 . . . A 647 PRO HG2 . 34026 1 576 . 1 1 53 53 PRO HG3 H 1 2.045 0.000 . 2 . . . A 647 PRO HG3 . 34026 1 577 . 1 1 53 53 PRO HD2 H 1 3.900 0.000 . 1 . . . A 647 PRO HD2 . 34026 1 578 . 1 1 53 53 PRO HD3 H 1 3.667 0.000 . 1 . . . A 647 PRO HD3 . 34026 1 579 . 1 1 53 53 PRO CA C 13 64.086 0.000 . 1 . . . A 647 PRO CA . 34026 1 580 . 1 1 53 53 PRO CB C 13 31.765 0.000 . 1 . . . A 647 PRO CB . 34026 1 581 . 1 1 53 53 PRO CG C 13 28.351 0.000 . 1 . . . A 647 PRO CG . 34026 1 582 . 1 1 53 53 PRO CD C 13 50.468 0.000 . 1 . . . A 647 PRO CD . 34026 1 583 . 1 1 54 54 GLU H H 1 8.560 0.000 . 1 . . . A 648 GLU H . 34026 1 584 . 1 1 54 54 GLU HA H 1 4.465 0.000 . 1 . . . A 648 GLU HA . 34026 1 585 . 1 1 54 54 GLU HB2 H 1 1.959 0.000 . 2 . . . A 648 GLU HB2 . 34026 1 586 . 1 1 54 54 GLU HB3 H 1 1.938 0.000 . 2 . . . A 648 GLU HB3 . 34026 1 587 . 1 1 54 54 GLU HG2 H 1 2.050 0.000 . 2 . . . A 648 GLU HG2 . 34026 1 588 . 1 1 54 54 GLU HG3 H 1 2.025 0.000 . 2 . . . A 648 GLU HG3 . 34026 1 589 . 1 1 54 54 GLU CA C 13 57.241 0.000 . 1 . . . A 648 GLU CA . 34026 1 590 . 1 1 54 54 GLU CB C 13 31.703 0.000 . 1 . . . A 648 GLU CB . 34026 1 591 . 1 1 54 54 GLU CG C 13 37.666 0.000 . 1 . . . A 648 GLU CG . 34026 1 592 . 1 1 54 54 GLU N N 15 125.638 0.000 . 1 . . . A 648 GLU N . 34026 1 593 . 1 1 55 55 ILE H H 1 9.119 0.000 . 1 . . . A 649 ILE H . 34026 1 594 . 1 1 55 55 ILE HA H 1 4.310 0.000 . 1 . . . A 649 ILE HA . 34026 1 595 . 1 1 55 55 ILE HB H 1 1.735 0.000 . 1 . . . A 649 ILE HB . 34026 1 596 . 1 1 55 55 ILE HG12 H 1 1.128 0.000 . 1 . . . A 649 ILE HG12 . 34026 1 597 . 1 1 55 55 ILE HG13 H 1 1.186 0.000 . 1 . . . A 649 ILE HG13 . 34026 1 598 . 1 1 55 55 ILE HG21 H 1 0.811 0.000 . 1 . . . A 649 ILE HG21 . 34026 1 599 . 1 1 55 55 ILE HG22 H 1 0.811 0.000 . 1 . . . A 649 ILE HG22 . 34026 1 600 . 1 1 55 55 ILE HG23 H 1 0.811 0.000 . 1 . . . A 649 ILE HG23 . 34026 1 601 . 1 1 55 55 ILE HD11 H 1 0.941 0.000 . 1 . . . A 649 ILE HD11 . 34026 1 602 . 1 1 55 55 ILE HD12 H 1 0.941 0.000 . 1 . . . A 649 ILE HD12 . 34026 1 603 . 1 1 55 55 ILE HD13 H 1 0.941 0.000 . 1 . . . A 649 ILE HD13 . 34026 1 604 . 1 1 55 55 ILE CA C 13 60.690 0.000 . 1 . . . A 649 ILE CA . 34026 1 605 . 1 1 55 55 ILE CB C 13 41.996 0.000 . 1 . . . A 649 ILE CB . 34026 1 606 . 1 1 55 55 ILE CG1 C 13 27.632 0.000 . 1 . . . A 649 ILE CG1 . 34026 1 607 . 1 1 55 55 ILE CG2 C 13 17.766 0.000 . 1 . . . A 649 ILE CG2 . 34026 1 608 . 1 1 55 55 ILE CD1 C 13 14.534 0.000 . 1 . . . A 649 ILE CD1 . 34026 1 609 . 1 1 55 55 ILE N N 15 126.731 0.000 . 1 . . . A 649 ILE N . 34026 1 610 . 1 1 56 56 ARG H H 1 8.685 0.000 . 1 . . . A 650 ARG H . 34026 1 611 . 1 1 56 56 ARG HA H 1 5.192 0.000 . 1 . . . A 650 ARG HA . 34026 1 612 . 1 1 56 56 ARG HB2 H 1 1.605 0.000 . 1 . . . A 650 ARG HB2 . 34026 1 613 . 1 1 56 56 ARG HB3 H 1 1.585 0.000 . 1 . . . A 650 ARG HB3 . 34026 1 614 . 1 1 56 56 ARG HG2 H 1 1.267 0.000 . 2 . . . A 650 ARG HG2 . 34026 1 615 . 1 1 56 56 ARG HG3 H 1 1.186 0.000 . 2 . . . A 650 ARG HG3 . 34026 1 616 . 1 1 56 56 ARG HD2 H 1 2.790 0.000 . 2 . . . A 650 ARG HD2 . 34026 1 617 . 1 1 56 56 ARG HD3 H 1 2.709 0.000 . 2 . . . A 650 ARG HD3 . 34026 1 618 . 1 1 56 56 ARG CA C 13 54.625 0.000 . 1 . . . A 650 ARG CA . 34026 1 619 . 1 1 56 56 ARG CB C 13 31.433 0.000 . 1 . . . A 650 ARG CB . 34026 1 620 . 1 1 56 56 ARG CG C 13 27.712 0.000 . 1 . . . A 650 ARG CG . 34026 1 621 . 1 1 56 56 ARG CD C 13 43.204 0.000 . 1 . . . A 650 ARG CD . 34026 1 622 . 1 1 56 56 ARG N N 15 127.667 0.000 . 1 . . . A 650 ARG N . 34026 1 623 . 1 1 57 57 LEU H H 1 9.546 0.000 . 1 . . . A 651 LEU H . 34026 1 624 . 1 1 57 57 LEU HA H 1 4.290 0.000 . 1 . . . A 651 LEU HA . 34026 1 625 . 1 1 57 57 LEU HB2 H 1 1.654 0.000 . 1 . . . A 651 LEU HB2 . 34026 1 626 . 1 1 57 57 LEU HB3 H 1 1.890 0.000 . 1 . . . A 651 LEU HB3 . 34026 1 627 . 1 1 57 57 LEU HD11 H 1 0.713 0.000 . 2 . . . A 651 LEU HD11 . 34026 1 628 . 1 1 57 57 LEU HD12 H 1 0.713 0.000 . 2 . . . A 651 LEU HD12 . 34026 1 629 . 1 1 57 57 LEU HD13 H 1 0.713 0.000 . 2 . . . A 651 LEU HD13 . 34026 1 630 . 1 1 57 57 LEU HD21 H 1 0.670 0.000 . 2 . . . A 651 LEU HD21 . 34026 1 631 . 1 1 57 57 LEU HD22 H 1 0.670 0.000 . 2 . . . A 651 LEU HD22 . 34026 1 632 . 1 1 57 57 LEU HD23 H 1 0.670 0.000 . 2 . . . A 651 LEU HD23 . 34026 1 633 . 1 1 57 57 LEU CA C 13 51.249 0.000 . 1 . . . A 651 LEU CA . 34026 1 634 . 1 1 57 57 LEU CB C 13 44.110 0.000 . 1 . . . A 651 LEU CB . 34026 1 635 . 1 1 57 57 LEU CD1 C 13 25.888 0.000 . 1 . . . A 651 LEU CD1 . 34026 1 636 . 1 1 57 57 LEU CD2 C 13 23.559 0.000 . 1 . . . A 651 LEU CD2 . 34026 1 637 . 1 1 57 57 LEU N N 15 128.563 0.000 . 1 . . . A 651 LEU N . 34026 1 638 . 1 1 58 58 PRO HA H 1 4.778 0.000 . 1 . . . A 652 PRO HA . 34026 1 639 . 1 1 58 58 PRO HB2 H 1 2.515 0.000 . 1 . . . A 652 PRO HB2 . 34026 1 640 . 1 1 58 58 PRO HB3 H 1 2.125 0.000 . 1 . . . A 652 PRO HB3 . 34026 1 641 . 1 1 58 58 PRO HG2 H 1 2.055 0.000 . 1 . . . A 652 PRO HG2 . 34026 1 642 . 1 1 58 58 PRO HG3 H 1 1.999 0.000 . 1 . . . A 652 PRO HG3 . 34026 1 643 . 1 1 58 58 PRO HD2 H 1 3.718 0.000 . 1 . . . A 652 PRO HD2 . 34026 1 644 . 1 1 58 58 PRO HD3 H 1 3.960 0.000 . 1 . . . A 652 PRO HD3 . 34026 1 645 . 1 1 58 58 PRO CA C 13 62.440 0.000 . 1 . . . A 652 PRO CA . 34026 1 646 . 1 1 58 58 PRO CB C 13 32.858 0.000 . 1 . . . A 652 PRO CB . 34026 1 647 . 1 1 58 58 PRO CG C 13 27.606 0.000 . 1 . . . A 652 PRO CG . 34026 1 648 . 1 1 58 58 PRO CD C 13 50.798 0.000 . 1 . . . A 652 PRO CD . 34026 1 649 . 1 1 59 59 SER H H 1 8.449 0.000 . 1 . . . A 653 SER H . 34026 1 650 . 1 1 59 59 SER HA H 1 3.907 0.000 . 1 . . . A 653 SER HA . 34026 1 651 . 1 1 59 59 SER HB2 H 1 3.825 0.000 . 2 . . . A 653 SER HB2 . 34026 1 652 . 1 1 59 59 SER HB3 H 1 3.633 0.000 . 2 . . . A 653 SER HB3 . 34026 1 653 . 1 1 59 59 SER CA C 13 60.697 0.000 . 1 . . . A 653 SER CA . 34026 1 654 . 1 1 59 59 SER CB C 13 63.095 0.000 . 1 . . . A 653 SER CB . 34026 1 655 . 1 1 59 59 SER N N 15 116.294 0.000 . 1 . . . A 653 SER N . 34026 1 656 . 1 1 60 60 GLY HA2 H 1 4.095 0.000 . 2 . . . A 654 GLY HA2 . 34026 1 657 . 1 1 60 60 GLY HA3 H 1 3.913 0.000 . 2 . . . A 654 GLY HA3 . 34026 1 658 . 1 1 60 60 GLY CA C 13 45.255 0.000 . 1 . . . A 654 GLY CA . 34026 1 659 . 1 1 61 61 SER H H 1 7.705 0.000 . 1 . . . A 655 SER H . 34026 1 660 . 1 1 61 61 SER HA H 1 4.422 0.000 . 1 . . . A 655 SER HA . 34026 1 661 . 1 1 61 61 SER HB2 H 1 3.710 0.000 . 2 . . . A 655 SER HB2 . 34026 1 662 . 1 1 61 61 SER HB3 H 1 3.786 0.000 . 2 . . . A 655 SER HB3 . 34026 1 663 . 1 1 61 61 SER CA C 13 60.097 0.000 . 1 . . . A 655 SER CA . 34026 1 664 . 1 1 61 61 SER CB C 13 64.080 0.000 . 1 . . . A 655 SER CB . 34026 1 665 . 1 1 61 61 SER N N 15 116.875 0.000 . 1 . . . A 655 SER N . 34026 1 666 . 1 1 62 62 ASP H H 1 8.754 0.000 . 1 . . . A 656 ASP H . 34026 1 667 . 1 1 62 62 ASP HA H 1 4.788 0.000 . 1 . . . A 656 ASP HA . 34026 1 668 . 1 1 62 62 ASP HB2 H 1 3.090 0.000 . 2 . . . A 656 ASP HB2 . 34026 1 669 . 1 1 62 62 ASP HB3 H 1 2.631 0.000 . 2 . . . A 656 ASP HB3 . 34026 1 670 . 1 1 62 62 ASP CA C 13 53.358 0.000 . 1 . . . A 656 ASP CA . 34026 1 671 . 1 1 62 62 ASP CB C 13 42.167 0.000 . 1 . . . A 656 ASP CB . 34026 1 672 . 1 1 62 62 ASP N N 15 119.818 0.000 . 1 . . . A 656 ASP N . 34026 1 673 . 1 1 63 63 HIS H H 1 7.483 0.000 . 1 . . . A 657 HIS H . 34026 1 674 . 1 1 63 63 HIS HA H 1 5.355 0.000 . 1 . . . A 657 HIS HA . 34026 1 675 . 1 1 63 63 HIS HB2 H 1 2.556 0.000 . 1 . . . A 657 HIS HB2 . 34026 1 676 . 1 1 63 63 HIS HB3 H 1 3.354 0.000 . 1 . . . A 657 HIS HB3 . 34026 1 677 . 1 1 63 63 HIS CA C 13 55.832 0.000 . 1 . . . A 657 HIS CA . 34026 1 678 . 1 1 63 63 HIS CB C 13 31.231 0.000 . 1 . . . A 657 HIS CB . 34026 1 679 . 1 1 63 63 HIS N N 15 114.240 0.000 . 1 . . . A 657 HIS N . 34026 1 680 . 1 1 64 64 VAL H H 1 8.683 0.000 . 1 . . . A 658 VAL H . 34026 1 681 . 1 1 64 64 VAL HA H 1 4.266 0.000 . 1 . . . A 658 VAL HA . 34026 1 682 . 1 1 64 64 VAL HB H 1 1.869 0.000 . 1 . . . A 658 VAL HB . 34026 1 683 . 1 1 64 64 VAL HG11 H 1 0.958 0.000 . 1 . . . A 658 VAL HG11 . 34026 1 684 . 1 1 64 64 VAL HG12 H 1 0.958 0.000 . 1 . . . A 658 VAL HG12 . 34026 1 685 . 1 1 64 64 VAL HG13 H 1 0.958 0.000 . 1 . . . A 658 VAL HG13 . 34026 1 686 . 1 1 64 64 VAL HG21 H 1 0.723 0.000 . 1 . . . A 658 VAL HG21 . 34026 1 687 . 1 1 64 64 VAL HG22 H 1 0.723 0.000 . 1 . . . A 658 VAL HG22 . 34026 1 688 . 1 1 64 64 VAL HG23 H 1 0.723 0.000 . 1 . . . A 658 VAL HG23 . 34026 1 689 . 1 1 64 64 VAL CA C 13 59.772 0.000 . 1 . . . A 658 VAL CA . 34026 1 690 . 1 1 64 64 VAL CB C 13 34.878 0.000 . 1 . . . A 658 VAL CB . 34026 1 691 . 1 1 64 64 VAL CG1 C 13 21.541 0.000 . 1 . . . A 658 VAL CG1 . 34026 1 692 . 1 1 64 64 VAL CG2 C 13 18.602 0.000 . 1 . . . A 658 VAL CG2 . 34026 1 693 . 1 1 64 64 VAL N N 15 116.710 0.000 . 1 . . . A 658 VAL N . 34026 1 694 . 1 1 65 65 MET H H 1 8.764 0.000 . 1 . . . A 659 MET H . 34026 1 695 . 1 1 65 65 MET HA H 1 5.279 0.000 . 1 . . . A 659 MET HA . 34026 1 696 . 1 1 65 65 MET HB2 H 1 1.911 0.000 . 1 . . . A 659 MET HB2 . 34026 1 697 . 1 1 65 65 MET HB3 H 1 1.952 0.000 . 1 . . . A 659 MET HB3 . 34026 1 698 . 1 1 65 65 MET HG2 H 1 2.646 0.000 . 2 . . . A 659 MET HG2 . 34026 1 699 . 1 1 65 65 MET HG3 H 1 2.633 0.000 . 2 . . . A 659 MET HG3 . 34026 1 700 . 1 1 65 65 MET HE1 H 1 1.921 0.000 . 1 . . . A 659 MET HE1 . 34026 1 701 . 1 1 65 65 MET HE2 H 1 1.921 0.000 . 1 . . . A 659 MET HE2 . 34026 1 702 . 1 1 65 65 MET HE3 H 1 1.921 0.000 . 1 . . . A 659 MET HE3 . 34026 1 703 . 1 1 65 65 MET CA C 13 52.956 0.000 . 1 . . . A 659 MET CA . 34026 1 704 . 1 1 65 65 MET CB C 13 32.880 0.000 . 1 . . . A 659 MET CB . 34026 1 705 . 1 1 65 65 MET CG C 13 31.822 0.000 . 1 . . . A 659 MET CG . 34026 1 706 . 1 1 65 65 MET CE C 13 16.422 0.000 . 1 . . . A 659 MET CE . 34026 1 707 . 1 1 65 65 MET N N 15 127.139 0.000 . 1 . . . A 659 MET N . 34026 1 708 . 1 1 66 66 LEU H H 1 8.595 0.000 . 1 . . . A 660 LEU H . 34026 1 709 . 1 1 66 66 LEU HA H 1 4.554 0.000 . 1 . . . A 660 LEU HA . 34026 1 710 . 1 1 66 66 LEU HB2 H 1 1.538 0.000 . 1 . . . A 660 LEU HB2 . 34026 1 711 . 1 1 66 66 LEU HB3 H 1 0.681 0.000 . 1 . . . A 660 LEU HB3 . 34026 1 712 . 1 1 66 66 LEU HG H 1 0.631 0.000 . 1 . . . A 660 LEU HG . 34026 1 713 . 1 1 66 66 LEU HD11 H 1 0.184 0.000 . 1 . . . A 660 LEU HD11 . 34026 1 714 . 1 1 66 66 LEU HD12 H 1 0.184 0.000 . 1 . . . A 660 LEU HD12 . 34026 1 715 . 1 1 66 66 LEU HD13 H 1 0.184 0.000 . 1 . . . A 660 LEU HD13 . 34026 1 716 . 1 1 66 66 LEU HD21 H 1 0.064 0.000 . 1 . . . A 660 LEU HD21 . 34026 1 717 . 1 1 66 66 LEU HD22 H 1 0.064 0.000 . 1 . . . A 660 LEU HD22 . 34026 1 718 . 1 1 66 66 LEU HD23 H 1 0.064 0.000 . 1 . . . A 660 LEU HD23 . 34026 1 719 . 1 1 66 66 LEU CA C 13 53.267 0.000 . 1 . . . A 660 LEU CA . 34026 1 720 . 1 1 66 66 LEU CB C 13 41.815 0.000 . 1 . . . A 660 LEU CB . 34026 1 721 . 1 1 66 66 LEU CG C 13 26.446 0.000 . 1 . . . A 660 LEU CG . 34026 1 722 . 1 1 66 66 LEU CD1 C 13 24.634 0.000 . 1 . . . A 660 LEU CD1 . 34026 1 723 . 1 1 66 66 LEU CD2 C 13 22.209 0.000 . 1 . . . A 660 LEU CD2 . 34026 1 724 . 1 1 66 66 LEU N N 15 125.979 0.000 . 1 . . . A 660 LEU N . 34026 1 725 . 1 1 67 67 LYS H H 1 8.236 0.000 . 1 . . . A 661 LYS H . 34026 1 726 . 1 1 67 67 LYS HA H 1 4.545 0.000 . 1 . . . A 661 LYS HA . 34026 1 727 . 1 1 67 67 LYS HB2 H 1 1.747 0.000 . 2 . . . A 661 LYS HB2 . 34026 1 728 . 1 1 67 67 LYS HB3 H 1 1.686 0.000 . 2 . . . A 661 LYS HB3 . 34026 1 729 . 1 1 67 67 LYS HG2 H 1 1.288 0.000 . 2 . . . A 661 LYS HG2 . 34026 1 730 . 1 1 67 67 LYS HG3 H 1 1.228 0.000 . 2 . . . A 661 LYS HG3 . 34026 1 731 . 1 1 67 67 LYS HD2 H 1 1.623 0.000 . 2 . . . A 661 LYS HD2 . 34026 1 732 . 1 1 67 67 LYS HD3 H 1 1.623 0.000 . 2 . . . A 661 LYS HD3 . 34026 1 733 . 1 1 67 67 LYS HE2 H 1 2.970 0.000 . 2 . . . A 661 LYS HE2 . 34026 1 734 . 1 1 67 67 LYS HE3 H 1 2.893 0.000 . 2 . . . A 661 LYS HE3 . 34026 1 735 . 1 1 67 67 LYS CA C 13 54.446 0.000 . 1 . . . A 661 LYS CA . 34026 1 736 . 1 1 67 67 LYS CB C 13 36.140 0.000 . 1 . . . A 661 LYS CB . 34026 1 737 . 1 1 67 67 LYS CG C 13 24.580 0.000 . 1 . . . A 661 LYS CG . 34026 1 738 . 1 1 67 67 LYS CD C 13 29.227 0.000 . 1 . . . A 661 LYS CD . 34026 1 739 . 1 1 67 67 LYS CE C 13 42.167 0.000 . 1 . . . A 661 LYS CE . 34026 1 740 . 1 1 67 67 LYS N N 15 119.904 0.000 . 1 . . . A 661 LYS N . 34026 1 741 . 1 1 68 68 SER H H 1 8.693 0.000 . 1 . . . A 662 SER H . 34026 1 742 . 1 1 68 68 SER HA H 1 3.727 0.000 . 1 . . . A 662 SER HA . 34026 1 743 . 1 1 68 68 SER HB2 H 1 4.070 0.000 . 2 . . . A 662 SER HB2 . 34026 1 744 . 1 1 68 68 SER HB3 H 1 3.816 0.000 . 2 . . . A 662 SER HB3 . 34026 1 745 . 1 1 68 68 SER CA C 13 57.944 0.000 . 1 . . . A 662 SER CA . 34026 1 746 . 1 1 68 68 SER CB C 13 61.136 0.000 . 1 . . . A 662 SER CB . 34026 1 747 . 1 1 68 68 SER N N 15 112.267 0.000 . 1 . . . A 662 SER N . 34026 1 748 . 1 1 69 69 LEU H H 1 7.805 0.000 . 1 . . . A 663 LEU H . 34026 1 749 . 1 1 69 69 LEU HA H 1 4.126 0.000 . 1 . . . A 663 LEU HA . 34026 1 750 . 1 1 69 69 LEU HB2 H 1 1.230 0.000 . 1 . . . A 663 LEU HB2 . 34026 1 751 . 1 1 69 69 LEU HB3 H 1 1.035 0.000 . 1 . . . A 663 LEU HB3 . 34026 1 752 . 1 1 69 69 LEU HG H 1 1.033 0.000 . 1 . . . A 663 LEU HG . 34026 1 753 . 1 1 69 69 LEU HD11 H 1 0.079 0.000 . 1 . . . A 663 LEU HD11 . 34026 1 754 . 1 1 69 69 LEU HD12 H 1 0.079 0.000 . 1 . . . A 663 LEU HD12 . 34026 1 755 . 1 1 69 69 LEU HD13 H 1 0.079 0.000 . 1 . . . A 663 LEU HD13 . 34026 1 756 . 1 1 69 69 LEU HD21 H 1 0.285 0.000 . 1 . . . A 663 LEU HD21 . 34026 1 757 . 1 1 69 69 LEU HD22 H 1 0.285 0.000 . 1 . . . A 663 LEU HD22 . 34026 1 758 . 1 1 69 69 LEU HD23 H 1 0.285 0.000 . 1 . . . A 663 LEU HD23 . 34026 1 759 . 1 1 69 69 LEU CA C 13 53.468 0.000 . 1 . . . A 663 LEU CA . 34026 1 760 . 1 1 69 69 LEU CB C 13 41.213 0.000 . 1 . . . A 663 LEU CB . 34026 1 761 . 1 1 69 69 LEU CG C 13 26.446 0.000 . 1 . . . A 663 LEU CG . 34026 1 762 . 1 1 69 69 LEU CD1 C 13 25.409 0.000 . 1 . . . A 663 LEU CD1 . 34026 1 763 . 1 1 69 69 LEU CD2 C 13 20.486 0.000 . 1 . . . A 663 LEU CD2 . 34026 1 764 . 1 1 69 69 LEU N N 15 117.556 0.000 . 1 . . . A 663 LEU N . 34026 1 765 . 1 1 70 70 ASP H H 1 8.488 0.000 . 1 . . . A 664 ASP H . 34026 1 766 . 1 1 70 70 ASP HA H 1 4.450 0.000 . 1 . . . A 664 ASP HA . 34026 1 767 . 1 1 70 70 ASP HB2 H 1 2.475 0.000 . 1 . . . A 664 ASP HB2 . 34026 1 768 . 1 1 70 70 ASP HB3 H 1 2.659 0.000 . 1 . . . A 664 ASP HB3 . 34026 1 769 . 1 1 70 70 ASP CA C 13 54.465 0.000 . 1 . . . A 664 ASP CA . 34026 1 770 . 1 1 70 70 ASP CB C 13 41.071 0.000 . 1 . . . A 664 ASP CB . 34026 1 771 . 1 1 70 70 ASP N N 15 120.450 0.000 . 1 . . . A 664 ASP N . 34026 1 772 . 1 1 71 71 TRP H H 1 8.273 0.000 . 1 . . . A 665 TRP H . 34026 1 773 . 1 1 71 71 TRP HA H 1 4.422 0.000 . 1 . . . A 665 TRP HA . 34026 1 774 . 1 1 71 71 TRP HB2 H 1 3.440 0.000 . 1 . . . A 665 TRP HB2 . 34026 1 775 . 1 1 71 71 TRP HB3 H 1 3.010 0.000 . 1 . . . A 665 TRP HB3 . 34026 1 776 . 1 1 71 71 TRP HD1 H 1 7.289 0.000 . 1 . . . A 665 TRP HD1 . 34026 1 777 . 1 1 71 71 TRP HE1 H 1 10.026 0.000 . 1 . . . A 665 TRP HE1 . 34026 1 778 . 1 1 71 71 TRP HE3 H 1 7.747 0.000 . 1 . . . A 665 TRP HE3 . 34026 1 779 . 1 1 71 71 TRP HZ2 H 1 7.297 0.000 . 1 . . . A 665 TRP HZ2 . 34026 1 780 . 1 1 71 71 TRP HZ3 H 1 7.098 0.000 . 1 . . . A 665 TRP HZ3 . 34026 1 781 . 1 1 71 71 TRP HH2 H 1 7.270 0.000 . 1 . . . A 665 TRP HH2 . 34026 1 782 . 1 1 71 71 TRP CA C 13 57.734 0.000 . 1 . . . A 665 TRP CA . 34026 1 783 . 1 1 71 71 TRP CB C 13 30.596 0.000 . 1 . . . A 665 TRP CB . 34026 1 784 . 1 1 71 71 TRP CD1 C 13 127.376 0.000 . 1 . . . A 665 TRP CD1 . 34026 1 785 . 1 1 71 71 TRP CE3 C 13 120.905 0.000 . 1 . . . A 665 TRP CE3 . 34026 1 786 . 1 1 71 71 TRP CZ2 C 13 114.961 0.000 . 1 . . . A 665 TRP CZ2 . 34026 1 787 . 1 1 71 71 TRP CZ3 C 13 119.115 0.000 . 1 . . . A 665 TRP CZ3 . 34026 1 788 . 1 1 71 71 TRP CH2 C 13 125.144 0.000 . 1 . . . A 665 TRP CH2 . 34026 1 789 . 1 1 71 71 TRP N N 15 121.597 0.000 . 1 . . . A 665 TRP N . 34026 1 790 . 1 1 71 71 TRP NE1 N 15 128.560 0.000 . 1 . . . A 665 TRP NE1 . 34026 1 791 . 1 1 72 72 ASN H H 1 8.355 0.000 . 1 . . . A 666 ASN H . 34026 1 792 . 1 1 72 72 ASN HA H 1 4.124 0.000 . 1 . . . A 666 ASN HA . 34026 1 793 . 1 1 72 72 ASN HB2 H 1 3.099 0.000 . 2 . . . A 666 ASN HB2 . 34026 1 794 . 1 1 72 72 ASN HB3 H 1 2.232 0.000 . 2 . . . A 666 ASN HB3 . 34026 1 795 . 1 1 72 72 ASN HD21 H 1 7.653 0.000 . 2 . . . A 666 ASN HD21 . 34026 1 796 . 1 1 72 72 ASN HD22 H 1 6.905 0.000 . 2 . . . A 666 ASN HD22 . 34026 1 797 . 1 1 72 72 ASN CA C 13 53.374 0.000 . 1 . . . A 666 ASN CA . 34026 1 798 . 1 1 72 72 ASN CB C 13 37.848 0.000 . 1 . . . A 666 ASN CB . 34026 1 799 . 1 1 72 72 ASN N N 15 120.228 0.000 . 1 . . . A 666 ASN N . 34026 1 800 . 1 1 72 72 ASN ND2 N 15 112.103 0.000 . 1 . . . A 666 ASN ND2 . 34026 1 801 . 1 1 73 73 ALA H H 1 8.125 0.000 . 1 . . . A 667 ALA H . 34026 1 802 . 1 1 73 73 ALA HA H 1 4.670 0.000 . 1 . . . A 667 ALA HA . 34026 1 803 . 1 1 73 73 ALA HB1 H 1 1.042 0.000 . 1 . . . A 667 ALA HB1 . 34026 1 804 . 1 1 73 73 ALA HB2 H 1 1.042 0.000 . 1 . . . A 667 ALA HB2 . 34026 1 805 . 1 1 73 73 ALA HB3 H 1 1.042 0.000 . 1 . . . A 667 ALA HB3 . 34026 1 806 . 1 1 73 73 ALA CA C 13 50.763 0.000 . 1 . . . A 667 ALA CA . 34026 1 807 . 1 1 73 73 ALA CB C 13 23.328 0.000 . 1 . . . A 667 ALA CB . 34026 1 808 . 1 1 73 73 ALA N N 15 120.269 0.000 . 1 . . . A 667 ALA N . 34026 1 809 . 1 1 74 74 GLU H H 1 8.033 0.000 . 1 . . . A 668 GLU H . 34026 1 810 . 1 1 74 74 GLU HA H 1 4.714 0.000 . 1 . . . A 668 GLU HA . 34026 1 811 . 1 1 74 74 GLU HB2 H 1 1.848 0.000 . 1 . . . A 668 GLU HB2 . 34026 1 812 . 1 1 74 74 GLU HB3 H 1 1.677 0.000 . 1 . . . A 668 GLU HB3 . 34026 1 813 . 1 1 74 74 GLU HG2 H 1 2.100 0.000 . 2 . . . A 668 GLU HG2 . 34026 1 814 . 1 1 74 74 GLU HG3 H 1 1.964 0.000 . 2 . . . A 668 GLU HG3 . 34026 1 815 . 1 1 74 74 GLU CA C 13 55.565 0.000 . 1 . . . A 668 GLU CA . 34026 1 816 . 1 1 74 74 GLU CB C 13 31.979 0.000 . 1 . . . A 668 GLU CB . 34026 1 817 . 1 1 74 74 GLU CG C 13 37.162 0.000 . 1 . . . A 668 GLU CG . 34026 1 818 . 1 1 74 74 GLU N N 15 120.351 0.000 . 1 . . . A 668 GLU N . 34026 1 819 . 1 1 75 75 TYR H H 1 8.865 0.000 . 1 . . . A 669 TYR H . 34026 1 820 . 1 1 75 75 TYR HA H 1 4.859 0.000 . 1 . . . A 669 TYR HA . 34026 1 821 . 1 1 75 75 TYR HB2 H 1 2.060 0.000 . 1 . . . A 669 TYR HB2 . 34026 1 822 . 1 1 75 75 TYR HB3 H 1 0.991 0.000 . 1 . . . A 669 TYR HB3 . 34026 1 823 . 1 1 75 75 TYR HD1 H 1 6.672 0.000 . 1 . . . A 669 TYR HD1 . 34026 1 824 . 1 1 75 75 TYR HD2 H 1 6.672 0.000 . 1 . . . A 669 TYR HD2 . 34026 1 825 . 1 1 75 75 TYR HE1 H 1 6.684 0.000 . 1 . . . A 669 TYR HE1 . 34026 1 826 . 1 1 75 75 TYR HE2 H 1 6.684 0.000 . 1 . . . A 669 TYR HE2 . 34026 1 827 . 1 1 75 75 TYR CA C 13 56.767 0.000 . 1 . . . A 669 TYR CA . 34026 1 828 . 1 1 75 75 TYR CB C 13 45.338 0.000 . 1 . . . A 669 TYR CB . 34026 1 829 . 1 1 75 75 TYR CD1 C 13 132.708 0.000 . 1 . . . A 669 TYR CD1 . 34026 1 830 . 1 1 75 75 TYR CD2 C 13 132.708 0.000 . 1 . . . A 669 TYR CD2 . 34026 1 831 . 1 1 75 75 TYR CE1 C 13 118.497 0.000 . 1 . . . A 669 TYR CE1 . 34026 1 832 . 1 1 75 75 TYR CE2 C 13 118.497 0.000 . 1 . . . A 669 TYR CE2 . 34026 1 833 . 1 1 75 75 TYR N N 15 123.972 0.000 . 1 . . . A 669 TYR N . 34026 1 834 . 1 1 76 76 GLU H H 1 8.755 0.000 . 1 . . . A 670 GLU H . 34026 1 835 . 1 1 76 76 GLU HA H 1 5.402 0.000 . 1 . . . A 670 GLU HA . 34026 1 836 . 1 1 76 76 GLU HB2 H 1 1.942 0.000 . 1 . . . A 670 GLU HB2 . 34026 1 837 . 1 1 76 76 GLU HB3 H 1 1.933 0.000 . 1 . . . A 670 GLU HB3 . 34026 1 838 . 1 1 76 76 GLU HG2 H 1 2.282 0.000 . 1 . . . A 670 GLU HG2 . 34026 1 839 . 1 1 76 76 GLU HG3 H 1 2.124 0.000 . 1 . . . A 670 GLU HG3 . 34026 1 840 . 1 1 76 76 GLU CA C 13 53.537 0.000 . 1 . . . A 670 GLU CA . 34026 1 841 . 1 1 76 76 GLU CB C 13 33.896 0.000 . 1 . . . A 670 GLU CB . 34026 1 842 . 1 1 76 76 GLU CG C 13 35.083 0.000 . 1 . . . A 670 GLU CG . 34026 1 843 . 1 1 76 76 GLU N N 15 112.955 0.000 . 1 . . . A 670 GLU N . 34026 1 844 . 1 1 77 77 VAL H H 1 8.980 0.000 . 1 . . . A 671 VAL H . 34026 1 845 . 1 1 77 77 VAL HA H 1 5.242 0.000 . 1 . . . A 671 VAL HA . 34026 1 846 . 1 1 77 77 VAL HB H 1 2.101 0.000 . 1 . . . A 671 VAL HB . 34026 1 847 . 1 1 77 77 VAL HG11 H 1 0.993 0.000 . 1 . . . A 671 VAL HG11 . 34026 1 848 . 1 1 77 77 VAL HG12 H 1 0.993 0.000 . 1 . . . A 671 VAL HG12 . 34026 1 849 . 1 1 77 77 VAL HG13 H 1 0.993 0.000 . 1 . . . A 671 VAL HG13 . 34026 1 850 . 1 1 77 77 VAL HG21 H 1 1.053 0.000 . 1 . . . A 671 VAL HG21 . 34026 1 851 . 1 1 77 77 VAL HG22 H 1 1.053 0.000 . 1 . . . A 671 VAL HG22 . 34026 1 852 . 1 1 77 77 VAL HG23 H 1 1.053 0.000 . 1 . . . A 671 VAL HG23 . 34026 1 853 . 1 1 77 77 VAL CA C 13 60.083 0.000 . 1 . . . A 671 VAL CA . 34026 1 854 . 1 1 77 77 VAL CB C 13 36.212 0.000 . 1 . . . A 671 VAL CB . 34026 1 855 . 1 1 77 77 VAL CG1 C 13 21.457 0.000 . 1 . . . A 671 VAL CG1 . 34026 1 856 . 1 1 77 77 VAL CG2 C 13 22.434 0.000 . 1 . . . A 671 VAL CG2 . 34026 1 857 . 1 1 77 77 VAL N N 15 120.241 0.000 . 1 . . . A 671 VAL N . 34026 1 858 . 1 1 78 78 TYR H H 1 9.732 0.000 . 1 . . . A 672 TYR H . 34026 1 859 . 1 1 78 78 TYR HA H 1 6.035 0.000 . 1 . . . A 672 TYR HA . 34026 1 860 . 1 1 78 78 TYR HB2 H 1 2.725 0.000 . 1 . . . A 672 TYR HB2 . 34026 1 861 . 1 1 78 78 TYR HB3 H 1 2.887 0.000 . 1 . . . A 672 TYR HB3 . 34026 1 862 . 1 1 78 78 TYR HD1 H 1 7.065 0.000 . 1 . . . A 672 TYR HD1 . 34026 1 863 . 1 1 78 78 TYR HD2 H 1 7.065 0.000 . 1 . . . A 672 TYR HD2 . 34026 1 864 . 1 1 78 78 TYR HE1 H 1 6.645 0.000 . 1 . . . A 672 TYR HE1 . 34026 1 865 . 1 1 78 78 TYR HE2 H 1 6.645 0.000 . 1 . . . A 672 TYR HE2 . 34026 1 866 . 1 1 78 78 TYR CA C 13 56.425 0.000 . 1 . . . A 672 TYR CA . 34026 1 867 . 1 1 78 78 TYR CB C 13 42.342 0.000 . 1 . . . A 672 TYR CB . 34026 1 868 . 1 1 78 78 TYR CD1 C 13 132.829 0.000 . 1 . . . A 672 TYR CD1 . 34026 1 869 . 1 1 78 78 TYR CD2 C 13 132.829 0.000 . 1 . . . A 672 TYR CD2 . 34026 1 870 . 1 1 78 78 TYR CE1 C 13 118.171 0.000 . 1 . . . A 672 TYR CE1 . 34026 1 871 . 1 1 78 78 TYR CE2 C 13 118.171 0.000 . 1 . . . A 672 TYR CE2 . 34026 1 872 . 1 1 78 78 TYR N N 15 124.261 0.000 . 1 . . . A 672 TYR N . 34026 1 873 . 1 1 79 79 VAL H H 1 9.040 0.000 . 1 . . . A 673 VAL H . 34026 1 874 . 1 1 79 79 VAL HA H 1 5.302 0.000 . 1 . . . A 673 VAL HA . 34026 1 875 . 1 1 79 79 VAL HB H 1 1.844 0.000 . 1 . . . A 673 VAL HB . 34026 1 876 . 1 1 79 79 VAL HG11 H 1 0.936 0.000 . 1 . . . A 673 VAL HG11 . 34026 1 877 . 1 1 79 79 VAL HG12 H 1 0.936 0.000 . 1 . . . A 673 VAL HG12 . 34026 1 878 . 1 1 79 79 VAL HG13 H 1 0.936 0.000 . 1 . . . A 673 VAL HG13 . 34026 1 879 . 1 1 79 79 VAL HG21 H 1 0.862 0.000 . 1 . . . A 673 VAL HG21 . 34026 1 880 . 1 1 79 79 VAL HG22 H 1 0.862 0.000 . 1 . . . A 673 VAL HG22 . 34026 1 881 . 1 1 79 79 VAL HG23 H 1 0.862 0.000 . 1 . . . A 673 VAL HG23 . 34026 1 882 . 1 1 79 79 VAL CA C 13 61.282 0.000 . 1 . . . A 673 VAL CA . 34026 1 883 . 1 1 79 79 VAL CB C 13 35.469 0.000 . 1 . . . A 673 VAL CB . 34026 1 884 . 1 1 79 79 VAL CG1 C 13 21.919 0.000 . 1 . . . A 673 VAL CG1 . 34026 1 885 . 1 1 79 79 VAL CG2 C 13 21.560 0.000 . 1 . . . A 673 VAL CG2 . 34026 1 886 . 1 1 79 79 VAL N N 15 120.474 0.000 . 1 . . . A 673 VAL N . 34026 1 887 . 1 1 80 80 VAL H H 1 8.985 0.000 . 1 . . . A 674 VAL H . 34026 1 888 . 1 1 80 80 VAL HA H 1 4.290 0.000 . 1 . . . A 674 VAL HA . 34026 1 889 . 1 1 80 80 VAL HB H 1 2.038 0.000 . 1 . . . A 674 VAL HB . 34026 1 890 . 1 1 80 80 VAL HG11 H 1 0.900 0.000 . 1 . . . A 674 VAL HG11 . 34026 1 891 . 1 1 80 80 VAL HG12 H 1 0.900 0.000 . 1 . . . A 674 VAL HG12 . 34026 1 892 . 1 1 80 80 VAL HG13 H 1 0.900 0.000 . 1 . . . A 674 VAL HG13 . 34026 1 893 . 1 1 80 80 VAL HG21 H 1 0.840 0.000 . 1 . . . A 674 VAL HG21 . 34026 1 894 . 1 1 80 80 VAL HG22 H 1 0.840 0.000 . 1 . . . A 674 VAL HG22 . 34026 1 895 . 1 1 80 80 VAL HG23 H 1 0.840 0.000 . 1 . . . A 674 VAL HG23 . 34026 1 896 . 1 1 80 80 VAL CA C 13 60.425 0.000 . 1 . . . A 674 VAL CA . 34026 1 897 . 1 1 80 80 VAL CB C 13 36.434 0.000 . 1 . . . A 674 VAL CB . 34026 1 898 . 1 1 80 80 VAL CG1 C 13 20.935 0.000 . 1 . . . A 674 VAL CG1 . 34026 1 899 . 1 1 80 80 VAL CG2 C 13 22.127 0.000 . 1 . . . A 674 VAL CG2 . 34026 1 900 . 1 1 80 80 VAL N N 15 125.773 0.000 . 1 . . . A 674 VAL N . 34026 1 901 . 1 1 81 81 ALA H H 1 8.933 0.000 . 1 . . . A 675 ALA H . 34026 1 902 . 1 1 81 81 ALA HA H 1 4.796 0.000 . 1 . . . A 675 ALA HA . 34026 1 903 . 1 1 81 81 ALA HB1 H 1 1.317 0.000 . 1 . . . A 675 ALA HB1 . 34026 1 904 . 1 1 81 81 ALA HB2 H 1 1.317 0.000 . 1 . . . A 675 ALA HB2 . 34026 1 905 . 1 1 81 81 ALA HB3 H 1 1.317 0.000 . 1 . . . A 675 ALA HB3 . 34026 1 906 . 1 1 81 81 ALA CA C 13 50.431 0.000 . 1 . . . A 675 ALA CA . 34026 1 907 . 1 1 81 81 ALA CB C 13 22.248 0.000 . 1 . . . A 675 ALA CB . 34026 1 908 . 1 1 81 81 ALA N N 15 127.867 0.000 . 1 . . . A 675 ALA N . 34026 1 909 . 1 1 82 82 GLU H H 1 8.049 0.000 . 1 . . . A 676 GLU H . 34026 1 910 . 1 1 82 82 GLU HA H 1 5.135 0.000 . 1 . . . A 676 GLU HA . 34026 1 911 . 1 1 82 82 GLU HB2 H 1 1.651 0.000 . 1 . . . A 676 GLU HB2 . 34026 1 912 . 1 1 82 82 GLU HB3 H 1 1.591 0.000 . 1 . . . A 676 GLU HB3 . 34026 1 913 . 1 1 82 82 GLU HG2 H 1 2.097 0.000 . 2 . . . A 676 GLU HG2 . 34026 1 914 . 1 1 82 82 GLU HG3 H 1 2.038 0.000 . 2 . . . A 676 GLU HG3 . 34026 1 915 . 1 1 82 82 GLU CA C 13 55.036 0.000 . 1 . . . A 676 GLU CA . 34026 1 916 . 1 1 82 82 GLU CB C 13 33.588 0.000 . 1 . . . A 676 GLU CB . 34026 1 917 . 1 1 82 82 GLU CG C 13 36.516 0.000 . 1 . . . A 676 GLU CG . 34026 1 918 . 1 1 82 82 GLU N N 15 121.839 0.000 . 1 . . . A 676 GLU N . 34026 1 919 . 1 1 83 83 ASN H H 1 8.718 0.000 . 1 . . . A 677 ASN H . 34026 1 920 . 1 1 83 83 ASN HA H 1 4.715 0.000 . 1 . . . A 677 ASN HA . 34026 1 921 . 1 1 83 83 ASN HB2 H 1 3.268 0.000 . 2 . . . A 677 ASN HB2 . 34026 1 922 . 1 1 83 83 ASN HB3 H 1 2.473 0.000 . 2 . . . A 677 ASN HB3 . 34026 1 923 . 1 1 83 83 ASN HD21 H 1 7.902 0.000 . 1 . . . A 677 ASN HD21 . 34026 1 924 . 1 1 83 83 ASN HD22 H 1 7.930 0.000 . 1 . . . A 677 ASN HD22 . 34026 1 925 . 1 1 83 83 ASN CA C 13 51.155 0.000 . 1 . . . A 677 ASN CA . 34026 1 926 . 1 1 83 83 ASN CB C 13 41.629 0.000 . 1 . . . A 677 ASN CB . 34026 1 927 . 1 1 83 83 ASN N N 15 125.935 0.000 . 1 . . . A 677 ASN N . 34026 1 928 . 1 1 83 83 ASN ND2 N 15 115.427 0.009 . 1 . . . A 677 ASN ND2 . 34026 1 929 . 1 1 84 84 GLN H H 1 8.577 0.000 . 1 . . . A 678 GLN H . 34026 1 930 . 1 1 84 84 GLN HA H 1 3.922 0.000 . 1 . . . A 678 GLN HA . 34026 1 931 . 1 1 84 84 GLN HB2 H 1 2.015 0.000 . 2 . . . A 678 GLN HB2 . 34026 1 932 . 1 1 84 84 GLN HB3 H 1 1.890 0.000 . 2 . . . A 678 GLN HB3 . 34026 1 933 . 1 1 84 84 GLN HG2 H 1 2.332 0.000 . 2 . . . A 678 GLN HG2 . 34026 1 934 . 1 1 84 84 GLN HG3 H 1 2.320 0.000 . 2 . . . A 678 GLN HG3 . 34026 1 935 . 1 1 84 84 GLN HE21 H 1 7.490 0.000 . 2 . . . A 678 GLN HE21 . 34026 1 936 . 1 1 84 84 GLN HE22 H 1 6.817 0.000 . 2 . . . A 678 GLN HE22 . 34026 1 937 . 1 1 84 84 GLN CA C 13 58.441 0.000 . 1 . . . A 678 GLN CA . 34026 1 938 . 1 1 84 84 GLN CB C 13 28.662 0.000 . 1 . . . A 678 GLN CB . 34026 1 939 . 1 1 84 84 GLN CG C 13 33.423 0.000 . 1 . . . A 678 GLN CG . 34026 1 940 . 1 1 84 84 GLN N N 15 115.749 0.000 . 1 . . . A 678 GLN N . 34026 1 941 . 1 1 84 84 GLN NE2 N 15 112.012 0.001 . 1 . . . A 678 GLN NE2 . 34026 1 942 . 1 1 85 85 GLN H H 1 7.694 0.000 . 1 . . . A 679 GLN H . 34026 1 943 . 1 1 85 85 GLN HA H 1 4.192 0.000 . 1 . . . A 679 GLN HA . 34026 1 944 . 1 1 85 85 GLN HB2 H 1 1.846 0.000 . 1 . . . A 679 GLN HB2 . 34026 1 945 . 1 1 85 85 GLN HB3 H 1 1.952 0.000 . 1 . . . A 679 GLN HB3 . 34026 1 946 . 1 1 85 85 GLN HG2 H 1 1.981 0.000 . 1 . . . A 679 GLN HG2 . 34026 1 947 . 1 1 85 85 GLN HG3 H 1 2.010 0.000 . 1 . . . A 679 GLN HG3 . 34026 1 948 . 1 1 85 85 GLN HE21 H 1 7.330 0.000 . 1 . . . A 679 GLN HE21 . 34026 1 949 . 1 1 85 85 GLN HE22 H 1 6.862 0.000 . 1 . . . A 679 GLN HE22 . 34026 1 950 . 1 1 85 85 GLN CA C 13 56.224 0.000 . 1 . . . A 679 GLN CA . 34026 1 951 . 1 1 85 85 GLN CB C 13 29.071 0.000 . 1 . . . A 679 GLN CB . 34026 1 952 . 1 1 85 85 GLN CG C 13 34.725 0.000 . 1 . . . A 679 GLN CG . 34026 1 953 . 1 1 85 85 GLN N N 15 115.666 0.000 . 1 . . . A 679 GLN N . 34026 1 954 . 1 1 85 85 GLN NE2 N 15 111.268 0.000 . 1 . . . A 679 GLN NE2 . 34026 1 955 . 1 1 86 86 GLY H H 1 7.816 0.000 . 1 . . . A 680 GLY H . 34026 1 956 . 1 1 86 86 GLY HA2 H 1 4.018 0.000 . 1 . . . A 680 GLY HA2 . 34026 1 957 . 1 1 86 86 GLY HA3 H 1 4.405 0.000 . 1 . . . A 680 GLY HA3 . 34026 1 958 . 1 1 86 86 GLY CA C 13 45.319 0.000 . 1 . . . A 680 GLY CA . 34026 1 959 . 1 1 86 86 GLY N N 15 105.780 0.000 . 1 . . . A 680 GLY N . 34026 1 960 . 1 1 87 87 LYS H H 1 8.366 0.000 . 1 . . . A 681 LYS H . 34026 1 961 . 1 1 87 87 LYS HA H 1 4.721 0.000 . 1 . . . A 681 LYS HA . 34026 1 962 . 1 1 87 87 LYS HB2 H 1 1.610 0.000 . 1 . . . A 681 LYS HB2 . 34026 1 963 . 1 1 87 87 LYS HB3 H 1 1.876 0.000 . 1 . . . A 681 LYS HB3 . 34026 1 964 . 1 1 87 87 LYS HG2 H 1 1.116 0.000 . 1 . . . A 681 LYS HG2 . 34026 1 965 . 1 1 87 87 LYS HG3 H 1 1.360 0.000 . 1 . . . A 681 LYS HG3 . 34026 1 966 . 1 1 87 87 LYS HD2 H 1 1.621 0.000 . 1 . . . A 681 LYS HD2 . 34026 1 967 . 1 1 87 87 LYS HD3 H 1 1.621 0.000 . 1 . . . A 681 LYS HD3 . 34026 1 968 . 1 1 87 87 LYS HE2 H 1 2.918 0.000 . 1 . . . A 681 LYS HE2 . 34026 1 969 . 1 1 87 87 LYS HE3 H 1 2.886 0.000 . 1 . . . A 681 LYS HE3 . 34026 1 970 . 1 1 87 87 LYS CA C 13 55.651 0.000 . 1 . . . A 681 LYS CA . 34026 1 971 . 1 1 87 87 LYS CB C 13 34.876 0.000 . 1 . . . A 681 LYS CB . 34026 1 972 . 1 1 87 87 LYS CG C 13 26.059 0.000 . 1 . . . A 681 LYS CG . 34026 1 973 . 1 1 87 87 LYS CD C 13 29.658 0.000 . 1 . . . A 681 LYS CD . 34026 1 974 . 1 1 87 87 LYS CE C 13 41.990 0.000 . 1 . . . A 681 LYS CE . 34026 1 975 . 1 1 87 87 LYS N N 15 118.974 0.000 . 1 . . . A 681 LYS N . 34026 1 976 . 1 1 88 88 SER H H 1 9.046 0.000 . 1 . . . A 682 SER H . 34026 1 977 . 1 1 88 88 SER HA H 1 4.428 0.000 . 1 . . . A 682 SER HA . 34026 1 978 . 1 1 88 88 SER HB2 H 1 3.643 0.000 . 1 . . . A 682 SER HB2 . 34026 1 979 . 1 1 88 88 SER HB3 H 1 4.159 0.000 . 1 . . . A 682 SER HB3 . 34026 1 980 . 1 1 88 88 SER CA C 13 57.853 0.000 . 1 . . . A 682 SER CA . 34026 1 981 . 1 1 88 88 SER CB C 13 67.520 0.000 . 1 . . . A 682 SER CB . 34026 1 982 . 1 1 88 88 SER N N 15 117.115 0.000 . 1 . . . A 682 SER N . 34026 1 983 . 1 1 89 89 LYS H H 1 8.421 0.000 . 1 . . . A 683 LYS H . 34026 1 984 . 1 1 89 89 LYS HA H 1 4.272 0.000 . 1 . . . A 683 LYS HA . 34026 1 985 . 1 1 89 89 LYS HB2 H 1 1.780 0.000 . 1 . . . A 683 LYS HB2 . 34026 1 986 . 1 1 89 89 LYS HB3 H 1 1.919 0.000 . 1 . . . A 683 LYS HB3 . 34026 1 987 . 1 1 89 89 LYS HG2 H 1 1.603 0.000 . 1 . . . A 683 LYS HG2 . 34026 1 988 . 1 1 89 89 LYS HG3 H 1 1.644 0.000 . 1 . . . A 683 LYS HG3 . 34026 1 989 . 1 1 89 89 LYS HD2 H 1 1.639 0.000 . 2 . . . A 683 LYS HD2 . 34026 1 990 . 1 1 89 89 LYS HD3 H 1 1.606 0.000 . 2 . . . A 683 LYS HD3 . 34026 1 991 . 1 1 89 89 LYS HE2 H 1 3.090 0.000 . 2 . . . A 683 LYS HE2 . 34026 1 992 . 1 1 89 89 LYS HE3 H 1 3.090 0.000 . 2 . . . A 683 LYS HE3 . 34026 1 993 . 1 1 89 89 LYS CA C 13 57.190 0.000 . 1 . . . A 683 LYS CA . 34026 1 994 . 1 1 89 89 LYS CB C 13 33.053 0.000 . 1 . . . A 683 LYS CB . 34026 1 995 . 1 1 89 89 LYS CG C 13 25.489 0.000 . 1 . . . A 683 LYS CG . 34026 1 996 . 1 1 89 89 LYS CD C 13 29.217 0.000 . 1 . . . A 683 LYS CD . 34026 1 997 . 1 1 89 89 LYS CE C 13 42.327 0.000 . 1 . . . A 683 LYS CE . 34026 1 998 . 1 1 89 89 LYS N N 15 118.509 0.000 . 1 . . . A 683 LYS N . 34026 1 999 . 1 1 90 90 ALA H H 1 8.633 0.000 . 1 . . . A 684 ALA H . 34026 1 1000 . 1 1 90 90 ALA HA H 1 4.632 0.000 . 1 . . . A 684 ALA HA . 34026 1 1001 . 1 1 90 90 ALA HB1 H 1 1.298 0.000 . 1 . . . A 684 ALA HB1 . 34026 1 1002 . 1 1 90 90 ALA HB2 H 1 1.298 0.000 . 1 . . . A 684 ALA HB2 . 34026 1 1003 . 1 1 90 90 ALA HB3 H 1 1.298 0.000 . 1 . . . A 684 ALA HB3 . 34026 1 1004 . 1 1 90 90 ALA CA C 13 52.241 0.000 . 1 . . . A 684 ALA CA . 34026 1 1005 . 1 1 90 90 ALA CB C 13 19.831 0.000 . 1 . . . A 684 ALA CB . 34026 1 1006 . 1 1 90 90 ALA N N 15 125.469 0.000 . 1 . . . A 684 ALA N . 34026 1 1007 . 1 1 91 91 ALA H H 1 9.199 0.000 . 1 . . . A 685 ALA H . 34026 1 1008 . 1 1 91 91 ALA HA H 1 4.715 0.000 . 1 . . . A 685 ALA HA . 34026 1 1009 . 1 1 91 91 ALA HB1 H 1 1.533 0.000 . 1 . . . A 685 ALA HB1 . 34026 1 1010 . 1 1 91 91 ALA HB2 H 1 1.533 0.000 . 1 . . . A 685 ALA HB2 . 34026 1 1011 . 1 1 91 91 ALA HB3 H 1 1.533 0.000 . 1 . . . A 685 ALA HB3 . 34026 1 1012 . 1 1 91 91 ALA CA C 13 51.457 0.000 . 1 . . . A 685 ALA CA . 34026 1 1013 . 1 1 91 91 ALA CB C 13 21.415 0.000 . 1 . . . A 685 ALA CB . 34026 1 1014 . 1 1 91 91 ALA N N 15 127.384 0.000 . 1 . . . A 685 ALA N . 34026 1 1015 . 1 1 92 92 HIS H H 1 8.700 0.000 . 1 . . . A 686 HIS H . 34026 1 1016 . 1 1 92 92 HIS HA H 1 5.639 0.000 . 1 . . . A 686 HIS HA . 34026 1 1017 . 1 1 92 92 HIS HB2 H 1 2.871 0.000 . 1 . . . A 686 HIS HB2 . 34026 1 1018 . 1 1 92 92 HIS HB3 H 1 3.057 0.000 . 1 . . . A 686 HIS HB3 . 34026 1 1019 . 1 1 92 92 HIS CA C 13 54.109 0.000 . 1 . . . A 686 HIS CA . 34026 1 1020 . 1 1 92 92 HIS CB C 13 35.362 0.000 . 1 . . . A 686 HIS CB . 34026 1 1021 . 1 1 92 92 HIS N N 15 122.109 0.000 . 1 . . . A 686 HIS N . 34026 1 1022 . 1 1 93 93 PHE H H 1 8.836 0.000 . 1 . . . A 687 PHE H . 34026 1 1023 . 1 1 93 93 PHE HA H 1 4.740 0.000 . 1 . . . A 687 PHE HA . 34026 1 1024 . 1 1 93 93 PHE HB2 H 1 3.049 0.000 . 1 . . . A 687 PHE HB2 . 34026 1 1025 . 1 1 93 93 PHE HB3 H 1 2.606 0.000 . 1 . . . A 687 PHE HB3 . 34026 1 1026 . 1 1 93 93 PHE HD1 H 1 7.104 0.000 . 1 . . . A 687 PHE HD1 . 34026 1 1027 . 1 1 93 93 PHE HD2 H 1 7.104 0.000 . 1 . . . A 687 PHE HD2 . 34026 1 1028 . 1 1 93 93 PHE HE1 H 1 7.046 0.000 . 1 . . . A 687 PHE HE1 . 34026 1 1029 . 1 1 93 93 PHE HE2 H 1 7.046 0.000 . 1 . . . A 687 PHE HE2 . 34026 1 1030 . 1 1 93 93 PHE HZ H 1 6.603 0.000 . 1 . . . A 687 PHE HZ . 34026 1 1031 . 1 1 93 93 PHE CA C 13 57.401 0.000 . 1 . . . A 687 PHE CA . 34026 1 1032 . 1 1 93 93 PHE CB C 13 43.659 0.000 . 1 . . . A 687 PHE CB . 34026 1 1033 . 1 1 93 93 PHE CD1 C 13 131.274 0.000 . 1 . . . A 687 PHE CD1 . 34026 1 1034 . 1 1 93 93 PHE CD2 C 13 131.274 0.000 . 1 . . . A 687 PHE CD2 . 34026 1 1035 . 1 1 93 93 PHE CE1 C 13 131.247 0.000 . 1 . . . A 687 PHE CE1 . 34026 1 1036 . 1 1 93 93 PHE CE2 C 13 131.247 0.000 . 1 . . . A 687 PHE CE2 . 34026 1 1037 . 1 1 93 93 PHE CZ C 13 130.051 0.000 . 1 . . . A 687 PHE CZ . 34026 1 1038 . 1 1 93 93 PHE N N 15 128.189 0.000 . 1 . . . A 687 PHE N . 34026 1 1039 . 1 1 94 94 VAL H H 1 7.483 0.000 . 1 . . . A 688 VAL H . 34026 1 1040 . 1 1 94 94 VAL HA H 1 4.943 0.000 . 1 . . . A 688 VAL HA . 34026 1 1041 . 1 1 94 94 VAL HB H 1 1.805 0.000 . 1 . . . A 688 VAL HB . 34026 1 1042 . 1 1 94 94 VAL HG11 H 1 0.756 0.000 . 1 . . . A 688 VAL HG11 . 34026 1 1043 . 1 1 94 94 VAL HG12 H 1 0.756 0.000 . 1 . . . A 688 VAL HG12 . 34026 1 1044 . 1 1 94 94 VAL HG13 H 1 0.756 0.000 . 1 . . . A 688 VAL HG13 . 34026 1 1045 . 1 1 94 94 VAL HG21 H 1 0.637 0.000 . 1 . . . A 688 VAL HG21 . 34026 1 1046 . 1 1 94 94 VAL HG22 H 1 0.637 0.000 . 1 . . . A 688 VAL HG22 . 34026 1 1047 . 1 1 94 94 VAL HG23 H 1 0.637 0.000 . 1 . . . A 688 VAL HG23 . 34026 1 1048 . 1 1 94 94 VAL CA C 13 59.759 0.000 . 1 . . . A 688 VAL CA . 34026 1 1049 . 1 1 94 94 VAL CB C 13 34.406 0.000 . 1 . . . A 688 VAL CB . 34026 1 1050 . 1 1 94 94 VAL CG1 C 13 21.074 0.000 . 1 . . . A 688 VAL CG1 . 34026 1 1051 . 1 1 94 94 VAL CG2 C 13 20.527 0.000 . 1 . . . A 688 VAL CG2 . 34026 1 1052 . 1 1 94 94 VAL N N 15 124.028 0.000 . 1 . . . A 688 VAL N . 34026 1 1053 . 1 1 95 95 PHE H H 1 8.296 0.000 . 1 . . . A 689 PHE H . 34026 1 1054 . 1 1 95 95 PHE HA H 1 4.788 0.000 . 1 . . . A 689 PHE HA . 34026 1 1055 . 1 1 95 95 PHE HB2 H 1 2.949 0.000 . 1 . . . A 689 PHE HB2 . 34026 1 1056 . 1 1 95 95 PHE HB3 H 1 2.814 0.000 . 1 . . . A 689 PHE HB3 . 34026 1 1057 . 1 1 95 95 PHE HD1 H 1 7.045 0.000 . 1 . . . A 689 PHE HD1 . 34026 1 1058 . 1 1 95 95 PHE HD2 H 1 7.045 0.000 . 1 . . . A 689 PHE HD2 . 34026 1 1059 . 1 1 95 95 PHE HE1 H 1 6.599 0.000 . 1 . . . A 689 PHE HE1 . 34026 1 1060 . 1 1 95 95 PHE HE2 H 1 6.599 0.000 . 1 . . . A 689 PHE HE2 . 34026 1 1061 . 1 1 95 95 PHE HZ H 1 7.106 0.000 . 1 . . . A 689 PHE HZ . 34026 1 1062 . 1 1 95 95 PHE CA C 13 55.983 0.000 . 1 . . . A 689 PHE CA . 34026 1 1063 . 1 1 95 95 PHE CB C 13 40.602 0.000 . 1 . . . A 689 PHE CB . 34026 1 1064 . 1 1 95 95 PHE CD1 C 13 131.216 0.000 . 1 . . . A 689 PHE CD1 . 34026 1 1065 . 1 1 95 95 PHE CD2 C 13 131.216 0.000 . 1 . . . A 689 PHE CD2 . 34026 1 1066 . 1 1 95 95 PHE CE1 C 13 130.203 0.000 . 1 . . . A 689 PHE CE1 . 34026 1 1067 . 1 1 95 95 PHE CE2 C 13 130.203 0.000 . 1 . . . A 689 PHE CE2 . 34026 1 1068 . 1 1 95 95 PHE CZ C 13 129.217 0.000 . 1 . . . A 689 PHE CZ . 34026 1 1069 . 1 1 95 95 PHE N N 15 119.707 0.000 . 1 . . . A 689 PHE N . 34026 1 1070 . 1 1 96 96 ARG H H 1 8.375 0.000 . 1 . . . A 690 ARG H . 34026 1 1071 . 1 1 96 96 ARG HA H 1 5.444 0.000 . 1 . . . A 690 ARG HA . 34026 1 1072 . 1 1 96 96 ARG HB2 H 1 1.760 0.000 . 1 . . . A 690 ARG HB2 . 34026 1 1073 . 1 1 96 96 ARG HB3 H 1 1.657 0.000 . 1 . . . A 690 ARG HB3 . 34026 1 1074 . 1 1 96 96 ARG HG2 H 1 1.342 0.000 . 1 . . . A 690 ARG HG2 . 34026 1 1075 . 1 1 96 96 ARG HG3 H 1 1.313 0.000 . 1 . . . A 690 ARG HG3 . 34026 1 1076 . 1 1 96 96 ARG HD2 H 1 3.133 0.000 . 2 . . . A 690 ARG HD2 . 34026 1 1077 . 1 1 96 96 ARG HD3 H 1 3.133 0.000 . 2 . . . A 690 ARG HD3 . 34026 1 1078 . 1 1 96 96 ARG CA C 13 53.894 0.000 . 1 . . . A 690 ARG CA . 34026 1 1079 . 1 1 96 96 ARG CB C 13 33.735 0.000 . 1 . . . A 690 ARG CB . 34026 1 1080 . 1 1 96 96 ARG CG C 13 27.716 0.000 . 1 . . . A 690 ARG CG . 34026 1 1081 . 1 1 96 96 ARG CD C 13 43.554 0.000 . 1 . . . A 690 ARG CD . 34026 1 1082 . 1 1 96 96 ARG N N 15 119.597 0.000 . 1 . . . A 690 ARG N . 34026 1 1083 . 1 1 97 97 THR H H 1 9.020 0.000 . 1 . . . A 691 THR H . 34026 1 1084 . 1 1 97 97 THR HA H 1 4.562 0.000 . 1 . . . A 691 THR HA . 34026 1 1085 . 1 1 97 97 THR HB H 1 4.832 0.000 . 1 . . . A 691 THR HB . 34026 1 1086 . 1 1 97 97 THR HG21 H 1 1.256 0.000 . 1 . . . A 691 THR HG21 . 34026 1 1087 . 1 1 97 97 THR HG22 H 1 1.256 0.000 . 1 . . . A 691 THR HG22 . 34026 1 1088 . 1 1 97 97 THR HG23 H 1 1.256 0.000 . 1 . . . A 691 THR HG23 . 34026 1 1089 . 1 1 97 97 THR CA C 13 60.635 0.000 . 1 . . . A 691 THR CA . 34026 1 1090 . 1 1 97 97 THR CB C 13 69.784 0.000 . 1 . . . A 691 THR CB . 34026 1 1091 . 1 1 97 97 THR CG2 C 13 24.341 0.000 . 1 . . . A 691 THR CG2 . 34026 1 1092 . 1 1 97 97 THR N N 15 114.145 0.000 . 1 . . . A 691 THR N . 34026 1 1093 . 1 1 98 98 HIS H H 1 8.429 0.000 . 1 . . . A 692 HIS H . 34026 1 1094 . 1 1 98 98 HIS HA H 1 4.922 0.000 . 1 . . . A 692 HIS HA . 34026 1 1095 . 1 1 98 98 HIS HB2 H 1 3.535 0.000 . 1 . . . A 692 HIS HB2 . 34026 1 1096 . 1 1 98 98 HIS HB3 H 1 3.281 0.000 . 1 . . . A 692 HIS HB3 . 34026 1 1097 . 1 1 98 98 HIS CA C 13 55.560 0.000 . 1 . . . A 692 HIS CA . 34026 1 1098 . 1 1 98 98 HIS CB C 13 32.471 0.000 . 1 . . . A 692 HIS CB . 34026 1 1099 . 1 1 98 98 HIS N N 15 118.165 0.000 . 1 . . . A 692 HIS N . 34026 1 1100 . 1 1 99 99 HIS H H 1 8.315 0.000 . 1 . . . A 693 HIS H . 34026 1 1101 . 1 1 99 99 HIS HB2 H 1 2.935 0.000 . 2 . . . A 693 HIS HB2 . 34026 1 1102 . 1 1 99 99 HIS HB3 H 1 2.904 0.000 . 2 . . . A 693 HIS HB3 . 34026 1 1103 . 1 1 99 99 HIS HD2 H 1 6.800 0.000 . 1 . . . A 693 HIS HD2 . 34026 1 1104 . 1 1 99 99 HIS CB C 13 31.519 0.000 . 1 . . . A 693 HIS CB . 34026 1 1105 . 1 1 99 99 HIS CD2 C 13 119.721 0.000 . 1 . . . A 693 HIS CD2 . 34026 1 1106 . 1 1 99 99 HIS N N 15 118.527 0.000 . 1 . . . A 693 HIS N . 34026 1 stop_ save_