data_36027 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36027 _Entry.Title ; Solution structure of human Gelsolin protein domain 1 at pH 7.3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-26 _Entry.Accession_date 2016-11-10 _Entry.Last_release_date 2016-11-10 _Entry.Original_release_date 2016-11-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 J. Fan J. S. . . 36027 2 D. Yang D. . . . 36027 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 36027 gelsolin . 36027 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36027 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 36027 '15N chemical shifts' 126 36027 '1H chemical shifts' 704 36027 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 . . 2017-11-15 2016-11-09 update BMRB 'update entry citation' 36027 1 . . 2017-10-30 2016-11-09 original author 'original release' 36027 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36026 'Solution structure of human Gelsolin protein domain 1 at pH 5.0' 36027 PDB 5H3N 'BMRB Entry Tracking System' 36027 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36027 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep45230 _Citation.PubMed_ID 28349924 _Citation.Full_citation . _Citation.Title ; Structural Basis for pH-mediated Regulation of F-actin Severing by Gelsolin Domain 1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 45230 _Citation.Page_last 45230 _Citation.Year 2017 _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 Jing-Song Fan J. S. . . 36027 1 2 Honzhen Goh H. . . . 36027 1 3 Ke Ding K. . . . 36027 1 4 Bo Xue B. . . . 36027 1 5 Robert Robinson R. C. . . 36027 1 6 Daiwen Yang D. . . . 36027 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36027 _Assembly.ID 1 _Assembly.Name 'Human Gelsolin protein domain 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 . . . . . . 36027 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36027 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; EHPEFLKAGKEPGLQIWRVE KFDLVPVPTNLYGDFFTGDA YVILKTVQLRNGNLQYDLHY WLGNECSQDESGAAAIFTVQ LDDYLNGRAVQHREVQGFES ATFLGYFKSGLKYKKGGVAS GFKHVVPNEVVVQ ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 55-187' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14973.815 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 ADF na 36027 1 AGEL na 36027 1 'Actin-depolymerizing factor' na 36027 1 Brevin na 36027 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLU . 36027 1 2 2 HIS . 36027 1 3 3 PRO . 36027 1 4 4 GLU . 36027 1 5 5 PHE . 36027 1 6 6 LEU . 36027 1 7 7 LYS . 36027 1 8 8 ALA . 36027 1 9 9 GLY . 36027 1 10 10 LYS . 36027 1 11 11 GLU . 36027 1 12 12 PRO . 36027 1 13 13 GLY . 36027 1 14 14 LEU . 36027 1 15 15 GLN . 36027 1 16 16 ILE . 36027 1 17 17 TRP . 36027 1 18 18 ARG . 36027 1 19 19 VAL . 36027 1 20 20 GLU . 36027 1 21 21 LYS . 36027 1 22 22 PHE . 36027 1 23 23 ASP . 36027 1 24 24 LEU . 36027 1 25 25 VAL . 36027 1 26 26 PRO . 36027 1 27 27 VAL . 36027 1 28 28 PRO . 36027 1 29 29 THR . 36027 1 30 30 ASN . 36027 1 31 31 LEU . 36027 1 32 32 TYR . 36027 1 33 33 GLY . 36027 1 34 34 ASP . 36027 1 35 35 PHE . 36027 1 36 36 PHE . 36027 1 37 37 THR . 36027 1 38 38 GLY . 36027 1 39 39 ASP . 36027 1 40 40 ALA . 36027 1 41 41 TYR . 36027 1 42 42 VAL . 36027 1 43 43 ILE . 36027 1 44 44 LEU . 36027 1 45 45 LYS . 36027 1 46 46 THR . 36027 1 47 47 VAL . 36027 1 48 48 GLN . 36027 1 49 49 LEU . 36027 1 50 50 ARG . 36027 1 51 51 ASN . 36027 1 52 52 GLY . 36027 1 53 53 ASN . 36027 1 54 54 LEU . 36027 1 55 55 GLN . 36027 1 56 56 TYR . 36027 1 57 57 ASP . 36027 1 58 58 LEU . 36027 1 59 59 HIS . 36027 1 60 60 TYR . 36027 1 61 61 TRP . 36027 1 62 62 LEU . 36027 1 63 63 GLY . 36027 1 64 64 ASN . 36027 1 65 65 GLU . 36027 1 66 66 CYS . 36027 1 67 67 SER . 36027 1 68 68 GLN . 36027 1 69 69 ASP . 36027 1 70 70 GLU . 36027 1 71 71 SER . 36027 1 72 72 GLY . 36027 1 73 73 ALA . 36027 1 74 74 ALA . 36027 1 75 75 ALA . 36027 1 76 76 ILE . 36027 1 77 77 PHE . 36027 1 78 78 THR . 36027 1 79 79 VAL . 36027 1 80 80 GLN . 36027 1 81 81 LEU . 36027 1 82 82 ASP . 36027 1 83 83 ASP . 36027 1 84 84 TYR . 36027 1 85 85 LEU . 36027 1 86 86 ASN . 36027 1 87 87 GLY . 36027 1 88 88 ARG . 36027 1 89 89 ALA . 36027 1 90 90 VAL . 36027 1 91 91 GLN . 36027 1 92 92 HIS . 36027 1 93 93 ARG . 36027 1 94 94 GLU . 36027 1 95 95 VAL . 36027 1 96 96 GLN . 36027 1 97 97 GLY . 36027 1 98 98 PHE . 36027 1 99 99 GLU . 36027 1 100 100 SER . 36027 1 101 101 ALA . 36027 1 102 102 THR . 36027 1 103 103 PHE . 36027 1 104 104 LEU . 36027 1 105 105 GLY . 36027 1 106 106 TYR . 36027 1 107 107 PHE . 36027 1 108 108 LYS . 36027 1 109 109 SER . 36027 1 110 110 GLY . 36027 1 111 111 LEU . 36027 1 112 112 LYS . 36027 1 113 113 TYR . 36027 1 114 114 LYS . 36027 1 115 115 LYS . 36027 1 116 116 GLY . 36027 1 117 117 GLY . 36027 1 118 118 VAL . 36027 1 119 119 ALA . 36027 1 120 120 SER . 36027 1 121 121 GLY . 36027 1 122 122 PHE . 36027 1 123 123 LYS . 36027 1 124 124 HIS . 36027 1 125 125 VAL . 36027 1 126 126 VAL . 36027 1 127 127 PRO . 36027 1 128 128 ASN . 36027 1 129 129 GLU . 36027 1 130 130 VAL . 36027 1 131 131 VAL . 36027 1 132 132 VAL . 36027 1 133 133 GLN . 36027 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 . GLU 1 1 36027 1 . HIS 2 2 36027 1 . PRO 3 3 36027 1 . GLU 4 4 36027 1 . PHE 5 5 36027 1 . LEU 6 6 36027 1 . LYS 7 7 36027 1 . ALA 8 8 36027 1 . GLY 9 9 36027 1 . LYS 10 10 36027 1 . GLU 11 11 36027 1 . PRO 12 12 36027 1 . GLY 13 13 36027 1 . LEU 14 14 36027 1 . GLN 15 15 36027 1 . ILE 16 16 36027 1 . TRP 17 17 36027 1 . ARG 18 18 36027 1 . VAL 19 19 36027 1 . GLU 20 20 36027 1 . LYS 21 21 36027 1 . PHE 22 22 36027 1 . ASP 23 23 36027 1 . LEU 24 24 36027 1 . VAL 25 25 36027 1 . PRO 26 26 36027 1 . VAL 27 27 36027 1 . PRO 28 28 36027 1 . THR 29 29 36027 1 . ASN 30 30 36027 1 . LEU 31 31 36027 1 . TYR 32 32 36027 1 . GLY 33 33 36027 1 . ASP 34 34 36027 1 . PHE 35 35 36027 1 . PHE 36 36 36027 1 . THR 37 37 36027 1 . GLY 38 38 36027 1 . ASP 39 39 36027 1 . ALA 40 40 36027 1 . TYR 41 41 36027 1 . VAL 42 42 36027 1 . ILE 43 43 36027 1 . LEU 44 44 36027 1 . LYS 45 45 36027 1 . THR 46 46 36027 1 . VAL 47 47 36027 1 . GLN 48 48 36027 1 . LEU 49 49 36027 1 . ARG 50 50 36027 1 . ASN 51 51 36027 1 . GLY 52 52 36027 1 . ASN 53 53 36027 1 . LEU 54 54 36027 1 . GLN 55 55 36027 1 . TYR 56 56 36027 1 . ASP 57 57 36027 1 . LEU 58 58 36027 1 . HIS 59 59 36027 1 . TYR 60 60 36027 1 . TRP 61 61 36027 1 . LEU 62 62 36027 1 . GLY 63 63 36027 1 . ASN 64 64 36027 1 . GLU 65 65 36027 1 . CYS 66 66 36027 1 . SER 67 67 36027 1 . GLN 68 68 36027 1 . ASP 69 69 36027 1 . GLU 70 70 36027 1 . SER 71 71 36027 1 . GLY 72 72 36027 1 . ALA 73 73 36027 1 . ALA 74 74 36027 1 . ALA 75 75 36027 1 . ILE 76 76 36027 1 . PHE 77 77 36027 1 . THR 78 78 36027 1 . VAL 79 79 36027 1 . GLN 80 80 36027 1 . LEU 81 81 36027 1 . ASP 82 82 36027 1 . ASP 83 83 36027 1 . TYR 84 84 36027 1 . LEU 85 85 36027 1 . ASN 86 86 36027 1 . GLY 87 87 36027 1 . ARG 88 88 36027 1 . ALA 89 89 36027 1 . VAL 90 90 36027 1 . GLN 91 91 36027 1 . HIS 92 92 36027 1 . ARG 93 93 36027 1 . GLU 94 94 36027 1 . VAL 95 95 36027 1 . GLN 96 96 36027 1 . GLY 97 97 36027 1 . PHE 98 98 36027 1 . GLU 99 99 36027 1 . SER 100 100 36027 1 . ALA 101 101 36027 1 . THR 102 102 36027 1 . PHE 103 103 36027 1 . LEU 104 104 36027 1 . GLY 105 105 36027 1 . TYR 106 106 36027 1 . PHE 107 107 36027 1 . LYS 108 108 36027 1 . SER 109 109 36027 1 . GLY 110 110 36027 1 . LEU 111 111 36027 1 . LYS 112 112 36027 1 . TYR 113 113 36027 1 . LYS 114 114 36027 1 . LYS 115 115 36027 1 . GLY 116 116 36027 1 . GLY 117 117 36027 1 . VAL 118 118 36027 1 . ALA 119 119 36027 1 . SER 120 120 36027 1 . GLY 121 121 36027 1 . PHE 122 122 36027 1 . LYS 123 123 36027 1 . HIS 124 124 36027 1 . VAL 125 125 36027 1 . VAL 126 126 36027 1 . PRO 127 127 36027 1 . ASN 128 128 36027 1 . GLU 129 129 36027 1 . VAL 130 130 36027 1 . VAL 131 131 36027 1 . VAL 132 132 36027 1 . GLN 133 133 36027 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 36027 _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 . . . . . . . . . . . GSN . 36027 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 36027 _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 . . . . . . . . . . 36027 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36027 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.70 mM 13C, 15N human Gelsolin, 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 'human Gelsolin' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.70 . . mM 0.1 . . . 36027 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36027 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36027 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 36027 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 36027 1 pH 7.3 0.1 pH 36027 1 pressure 1 0.01 atm 36027 1 temperature 298 0.1 K 36027 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36027 _Software.ID 2 _Software.Type . _Software.Name xplopr-nih _Software.Version 2.42 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra, and G.M. Clore' . . 36027 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36027 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36027 _Software.ID 3 _Software.Type . _Software.Name xplor-nih _Software.Version 2.42 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra, and G.M. Clore' . . 36027 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36027 3 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36027 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36027 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36027 1 'peak picking' 36027 1 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 36027 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 36027 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 36027 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 36027 _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 '4D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36027 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 36027 _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 protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 36027 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 36027 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 36027 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 36027 _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 '4D NOESY' 1 $sample_1 isotropic 36027 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 1 $software_1 . . 36027 1 2 $software_2 . . 36027 1 3 $software_3 . . 36027 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.Ambiguity_set_ID _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 GLU HA H 1 4.525 0.000 . 1 . . . . A 1 GLU HA . 36027 1 2 . 1 1 1 1 GLU CA C 13 56.194 0.000 . 1 . . . . A 1 GLU CA . 36027 1 3 . 1 1 2 2 HIS H H 1 7.867 0.002 . 1 . . . . A 2 HIS H . 36027 1 4 . 1 1 2 2 HIS HA H 1 4.331 0.000 . 1 . . . . A 2 HIS HA . 36027 1 5 . 1 1 2 2 HIS HB2 H 1 2.990 0.000 . 2 . . . . A 2 HIS HB2 . 36027 1 6 . 1 1 2 2 HIS HD2 H 1 7.092 0.000 . 1 . . . . A 2 HIS HD2 . 36027 1 7 . 1 1 2 2 HIS CA C 13 57.596 0.000 . 1 . . . . A 2 HIS CA . 36027 1 8 . 1 1 2 2 HIS CB C 13 30.970 0.000 . 1 . . . . A 2 HIS CB . 36027 1 9 . 1 1 2 2 HIS CD2 C 13 118.400 0.000 . 1 . . . . A 2 HIS CD2 . 36027 1 10 . 1 1 2 2 HIS N N 15 125.814 0.126 . 1 . . . . A 2 HIS N . 36027 1 11 . 1 1 3 3 PRO HA H 1 4.133 0.015 . 1 . . . . A 3 PRO HA . 36027 1 12 . 1 1 3 3 PRO HB2 H 1 1.883 0.000 . 2 . . . . A 3 PRO HB2 . 36027 1 13 . 1 1 3 3 PRO HG3 H 1 1.847 0.000 . 2 . . . . A 3 PRO HG3 . 36027 1 14 . 1 1 3 3 PRO CA C 13 65.352 0.002 . 1 . . . . A 3 PRO CA . 36027 1 15 . 1 1 3 3 PRO CB C 13 32.030 0.055 . 1 . . . . A 3 PRO CB . 36027 1 16 . 1 1 3 3 PRO CG C 13 27.561 0.000 . 1 . . . . A 3 PRO CG . 36027 1 17 . 1 1 4 4 GLU H H 1 10.510 0.000 . 1 . . . . A 4 GLU H . 36027 1 18 . 1 1 4 4 GLU HA H 1 4.072 0.004 . 1 . . . . A 4 GLU HA . 36027 1 19 . 1 1 4 4 GLU HB2 H 1 1.757 0.010 . 2 . . . . A 4 GLU HB2 . 36027 1 20 . 1 1 4 4 GLU HG3 H 1 2.441 0.002 . 2 . . . . A 4 GLU HG3 . 36027 1 21 . 1 1 4 4 GLU CA C 13 58.534 0.008 . 1 . . . . A 4 GLU CA . 36027 1 22 . 1 1 4 4 GLU CB C 13 29.189 0.008 . 1 . . . . A 4 GLU CB . 36027 1 23 . 1 1 4 4 GLU CG C 13 37.372 0.020 . 1 . . . . A 4 GLU CG . 36027 1 24 . 1 1 4 4 GLU N N 15 118.780 0.091 . 1 . . . . A 4 GLU N . 36027 1 25 . 1 1 5 5 PHE H H 1 8.040 0.001 . 1 . . . . A 5 PHE H . 36027 1 26 . 1 1 5 5 PHE HA H 1 3.922 0.007 . 1 . . . . A 5 PHE HA . 36027 1 27 . 1 1 5 5 PHE HB2 H 1 2.840 0.000 . 2 . . . . A 5 PHE HB2 . 36027 1 28 . 1 1 5 5 PHE HB3 H 1 1.925 0.001 . 2 . . . . A 5 PHE HB3 . 36027 1 29 . 1 1 5 5 PHE HD1 H 1 6.564 0.006 . 3 . . . . A 5 PHE HD1 . 36027 1 30 . 1 1 5 5 PHE HE1 H 1 6.863 0.006 . 3 . . . . A 5 PHE HE1 . 36027 1 31 . 1 1 5 5 PHE HZ H 1 7.179 0.000 . 1 . . . . A 5 PHE HZ . 36027 1 32 . 1 1 5 5 PHE CA C 13 57.462 0.055 . 1 . . . . A 5 PHE CA . 36027 1 33 . 1 1 5 5 PHE CB C 13 34.715 0.039 . 1 . . . . A 5 PHE CB . 36027 1 34 . 1 1 5 5 PHE CD1 C 13 129.630 0.041 . 3 . . . . A 5 PHE CD1 . 36027 1 35 . 1 1 5 5 PHE CE1 C 13 130.813 0.084 . 3 . . . . A 5 PHE CE1 . 36027 1 36 . 1 1 5 5 PHE CZ C 13 128.704 0.000 . 1 . . . . A 5 PHE CZ . 36027 1 37 . 1 1 5 5 PHE N N 15 118.715 0.054 . 1 . . . . A 5 PHE N . 36027 1 38 . 1 1 6 6 LEU H H 1 7.038 0.001 . 1 . . . . A 6 LEU H . 36027 1 39 . 1 1 6 6 LEU HA H 1 4.178 0.007 . 1 . . . . A 6 LEU HA . 36027 1 40 . 1 1 6 6 LEU HB2 H 1 1.722 0.000 . 2 . . . . A 6 LEU HB2 . 36027 1 41 . 1 1 6 6 LEU HB3 H 1 1.746 0.000 . 2 . . . . A 6 LEU HB3 . 36027 1 42 . 1 1 6 6 LEU HG H 1 1.704 0.007 . 1 . . . . A 6 LEU HG . 36027 1 43 . 1 1 6 6 LEU HD11 H 1 0.911 0.006 . 2 . . . . A 6 LEU HD11 . 36027 1 44 . 1 1 6 6 LEU HD12 H 1 0.911 0.006 . 2 . . . . A 6 LEU HD12 . 36027 1 45 . 1 1 6 6 LEU HD13 H 1 0.911 0.006 . 2 . . . . A 6 LEU HD13 . 36027 1 46 . 1 1 6 6 LEU HD21 H 1 0.915 0.001 . 2 . . . . A 6 LEU HD21 . 36027 1 47 . 1 1 6 6 LEU HD22 H 1 0.915 0.001 . 2 . . . . A 6 LEU HD22 . 36027 1 48 . 1 1 6 6 LEU HD23 H 1 0.915 0.001 . 2 . . . . A 6 LEU HD23 . 36027 1 49 . 1 1 6 6 LEU CA C 13 57.208 0.049 . 1 . . . . A 6 LEU CA . 36027 1 50 . 1 1 6 6 LEU CB C 13 41.673 0.001 . 1 . . . . A 6 LEU CB . 36027 1 51 . 1 1 6 6 LEU CG C 13 23.346 0.023 . 1 . . . . A 6 LEU CG . 36027 1 52 . 1 1 6 6 LEU CD1 C 13 24.993 0.050 . 2 . . . . A 6 LEU CD1 . 36027 1 53 . 1 1 6 6 LEU CD2 C 13 27.681 0.009 . 2 . . . . A 6 LEU CD2 . 36027 1 54 . 1 1 6 6 LEU N N 15 115.115 0.061 . 1 . . . . A 6 LEU N . 36027 1 55 . 1 1 7 7 LYS H H 1 7.170 0.003 . 1 . . . . A 7 LYS H . 36027 1 56 . 1 1 7 7 LYS HA H 1 4.342 0.001 . 1 . . . . A 7 LYS HA . 36027 1 57 . 1 1 7 7 LYS HB2 H 1 1.976 0.001 . 2 . . . . A 7 LYS HB2 . 36027 1 58 . 1 1 7 7 LYS HG2 H 1 1.486 0.006 . 2 . . . . A 7 LYS HG2 . 36027 1 59 . 1 1 7 7 LYS HD3 H 1 1.791 0.000 . 2 . . . . A 7 LYS HD3 . 36027 1 60 . 1 1 7 7 LYS HE3 H 1 3.012 0.000 . 2 . . . . A 7 LYS HE3 . 36027 1 61 . 1 1 7 7 LYS CA C 13 55.627 0.073 . 1 . . . . A 7 LYS CA . 36027 1 62 . 1 1 7 7 LYS CB C 13 33.508 0.007 . 1 . . . . A 7 LYS CB . 36027 1 63 . 1 1 7 7 LYS CG C 13 25.172 0.024 . 1 . . . . A 7 LYS CG . 36027 1 64 . 1 1 7 7 LYS CD C 13 29.513 0.000 . 1 . . . . A 7 LYS CD . 36027 1 65 . 1 1 7 7 LYS CE C 13 42.246 0.000 . 1 . . . . A 7 LYS CE . 36027 1 66 . 1 1 7 7 LYS N N 15 114.879 0.030 . 1 . . . . A 7 LYS N . 36027 1 67 . 1 1 8 8 ALA H H 1 7.760 0.001 . 1 . . . . A 8 ALA H . 36027 1 68 . 1 1 8 8 ALA HA H 1 4.577 0.003 . 1 . . . . A 8 ALA HA . 36027 1 69 . 1 1 8 8 ALA HB1 H 1 1.418 0.003 . 1 . . . . A 8 ALA HB1 . 36027 1 70 . 1 1 8 8 ALA HB2 H 1 1.418 0.003 . 1 . . . . A 8 ALA HB2 . 36027 1 71 . 1 1 8 8 ALA HB3 H 1 1.418 0.003 . 1 . . . . A 8 ALA HB3 . 36027 1 72 . 1 1 8 8 ALA CA C 13 52.605 0.078 . 1 . . . . A 8 ALA CA . 36027 1 73 . 1 1 8 8 ALA CB C 13 20.042 0.065 . 1 . . . . A 8 ALA CB . 36027 1 74 . 1 1 8 8 ALA N N 15 124.433 0.094 . 1 . . . . A 8 ALA N . 36027 1 75 . 1 1 9 9 GLY H H 1 9.435 0.001 . 1 . . . . A 9 GLY H . 36027 1 76 . 1 1 9 9 GLY HA2 H 1 4.287 0.003 . 2 . . . . A 9 GLY HA2 . 36027 1 77 . 1 1 9 9 GLY HA3 H 1 3.722 0.003 . 2 . . . . A 9 GLY HA3 . 36027 1 78 . 1 1 9 9 GLY CA C 13 48.407 0.024 . 1 . . . . A 9 GLY CA . 36027 1 79 . 1 1 9 9 GLY N N 15 110.182 0.056 . 1 . . . . A 9 GLY N . 36027 1 80 . 1 1 10 10 LYS H H 1 8.279 0.002 . 1 . . . . A 10 LYS H . 36027 1 81 . 1 1 10 10 LYS HA H 1 4.252 0.005 . 1 . . . . A 10 LYS HA . 36027 1 82 . 1 1 10 10 LYS HB2 H 1 1.798 0.013 . 2 . . . . A 10 LYS HB2 . 36027 1 83 . 1 1 10 10 LYS HG2 H 1 1.470 0.010 . 2 . . . . A 10 LYS HG2 . 36027 1 84 . 1 1 10 10 LYS HG3 H 1 1.246 0.003 . 2 . . . . A 10 LYS HG3 . 36027 1 85 . 1 1 10 10 LYS HD3 H 1 1.675 0.005 . 2 . . . . A 10 LYS HD3 . 36027 1 86 . 1 1 10 10 LYS CA C 13 56.161 0.004 . 1 . . . . A 10 LYS CA . 36027 1 87 . 1 1 10 10 LYS CB C 13 33.024 0.019 . 1 . . . . A 10 LYS CB . 36027 1 88 . 1 1 10 10 LYS CG C 13 24.259 0.027 . 1 . . . . A 10 LYS CG . 36027 1 89 . 1 1 10 10 LYS CD C 13 27.913 0.015 . 1 . . . . A 10 LYS CD . 36027 1 90 . 1 1 10 10 LYS N N 15 118.079 0.064 . 1 . . . . A 10 LYS N . 36027 1 91 . 1 1 11 11 GLU H H 1 8.199 0.001 . 1 . . . . A 11 GLU H . 36027 1 92 . 1 1 11 11 GLU HA H 1 4.763 0.000 . 1 . . . . A 11 GLU HA . 36027 1 93 . 1 1 11 11 GLU HB2 H 1 1.884 0.000 . 2 . . . . A 11 GLU HB2 . 36027 1 94 . 1 1 11 11 GLU HB3 H 1 1.884 0.000 . 2 . . . . A 11 GLU HB3 . 36027 1 95 . 1 1 11 11 GLU HG2 H 1 2.133 0.000 . 2 . . . . A 11 GLU HG2 . 36027 1 96 . 1 1 11 11 GLU HG3 H 1 2.133 0.000 . 2 . . . . A 11 GLU HG3 . 36027 1 97 . 1 1 11 11 GLU CA C 13 52.924 0.000 . 1 . . . . A 11 GLU CA . 36027 1 98 . 1 1 11 11 GLU CB C 13 30.916 0.001 . 1 . . . . A 11 GLU CB . 36027 1 99 . 1 1 11 11 GLU CG C 13 34.686 0.001 . 1 . . . . A 11 GLU CG . 36027 1 100 . 1 1 11 11 GLU N N 15 116.302 0.093 . 1 . . . . A 11 GLU N . 36027 1 101 . 1 1 12 12 PRO HA H 1 3.958 0.009 . 1 . . . . A 12 PRO HA . 36027 1 102 . 1 1 12 12 PRO HB2 H 1 1.912 0.000 . 2 . . . . A 12 PRO HB2 . 36027 1 103 . 1 1 12 12 PRO HG3 H 1 1.614 0.000 . 2 . . . . A 12 PRO HG3 . 36027 1 104 . 1 1 12 12 PRO HD2 H 1 3.625 0.009 . 2 . . . . A 12 PRO HD2 . 36027 1 105 . 1 1 12 12 PRO CA C 13 63.095 0.062 . 1 . . . . A 12 PRO CA . 36027 1 106 . 1 1 12 12 PRO CB C 13 31.939 0.000 . 1 . . . . A 12 PRO CB . 36027 1 107 . 1 1 12 12 PRO CG C 13 28.734 0.000 . 1 . . . . A 12 PRO CG . 36027 1 108 . 1 1 12 12 PRO CD C 13 50.445 0.010 . 1 . . . . A 12 PRO CD . 36027 1 109 . 1 1 13 13 GLY H H 1 8.696 0.001 . 1 . . . . A 13 GLY H . 36027 1 110 . 1 1 13 13 GLY HA2 H 1 3.718 0.001 . 2 . . . . A 13 GLY HA2 . 36027 1 111 . 1 1 13 13 GLY HA3 H 1 4.476 0.000 . 2 . . . . A 13 GLY HA3 . 36027 1 112 . 1 1 13 13 GLY CA C 13 44.984 0.025 . 1 . . . . A 13 GLY CA . 36027 1 113 . 1 1 13 13 GLY N N 15 111.008 0.077 . 1 . . . . A 13 GLY N . 36027 1 114 . 1 1 14 14 LEU H H 1 8.288 0.001 . 1 . . . . A 14 LEU H . 36027 1 115 . 1 1 14 14 LEU HA H 1 4.968 0.010 . 1 . . . . A 14 LEU HA . 36027 1 116 . 1 1 14 14 LEU HB2 H 1 1.017 0.000 . 2 . . . . A 14 LEU HB2 . 36027 1 117 . 1 1 14 14 LEU HB3 H 1 1.733 0.003 . 2 . . . . A 14 LEU HB3 . 36027 1 118 . 1 1 14 14 LEU HG H 1 0.942 0.000 . 1 . . . . A 14 LEU HG . 36027 1 119 . 1 1 14 14 LEU HD11 H 1 0.170 0.011 . 2 . . . . A 14 LEU HD11 . 36027 1 120 . 1 1 14 14 LEU HD12 H 1 0.170 0.011 . 2 . . . . A 14 LEU HD12 . 36027 1 121 . 1 1 14 14 LEU HD13 H 1 0.170 0.011 . 2 . . . . A 14 LEU HD13 . 36027 1 122 . 1 1 14 14 LEU HD21 H 1 0.343 0.004 . 2 . . . . A 14 LEU HD21 . 36027 1 123 . 1 1 14 14 LEU HD22 H 1 0.343 0.004 . 2 . . . . A 14 LEU HD22 . 36027 1 124 . 1 1 14 14 LEU HD23 H 1 0.343 0.004 . 2 . . . . A 14 LEU HD23 . 36027 1 125 . 1 1 14 14 LEU CA C 13 53.318 0.018 . 1 . . . . A 14 LEU CA . 36027 1 126 . 1 1 14 14 LEU CB C 13 45.998 0.000 . 1 . . . . A 14 LEU CB . 36027 1 127 . 1 1 14 14 LEU CG C 13 27.153 0.000 . 1 . . . . A 14 LEU CG . 36027 1 128 . 1 1 14 14 LEU CD1 C 13 24.473 0.047 . 2 . . . . A 14 LEU CD1 . 36027 1 129 . 1 1 14 14 LEU CD2 C 13 26.322 0.041 . 2 . . . . A 14 LEU CD2 . 36027 1 130 . 1 1 14 14 LEU N N 15 122.411 0.048 . 1 . . . . A 14 LEU N . 36027 1 131 . 1 1 15 15 GLN H H 1 8.460 0.002 . 1 . . . . A 15 GLN H . 36027 1 132 . 1 1 15 15 GLN HA H 1 4.472 0.005 . 1 . . . . A 15 GLN HA . 36027 1 133 . 1 1 15 15 GLN HB2 H 1 1.615 0.009 . 2 . . . . A 15 GLN HB2 . 36027 1 134 . 1 1 15 15 GLN HB3 H 1 1.002 0.003 . 2 . . . . A 15 GLN HB3 . 36027 1 135 . 1 1 15 15 GLN HG2 H 1 1.968 0.004 . 2 . . . . A 15 GLN HG2 . 36027 1 136 . 1 1 15 15 GLN HG3 H 1 2.209 0.002 . 2 . . . . A 15 GLN HG3 . 36027 1 137 . 1 1 15 15 GLN HE21 H 1 7.484 0.000 . 2 . . . . A 15 GLN HE21 . 36027 1 138 . 1 1 15 15 GLN HE22 H 1 8.128 0.000 . 2 . . . . A 15 GLN HE22 . 36027 1 139 . 1 1 15 15 GLN CA C 13 54.816 0.029 . 1 . . . . A 15 GLN CA . 36027 1 140 . 1 1 15 15 GLN CB C 13 34.412 0.016 . 1 . . . . A 15 GLN CB . 36027 1 141 . 1 1 15 15 GLN CG C 13 35.301 0.062 . 1 . . . . A 15 GLN CG . 36027 1 142 . 1 1 15 15 GLN N N 15 124.705 0.061 . 1 . . . . A 15 GLN N . 36027 1 143 . 1 1 15 15 GLN NE2 N 15 115.745 0.055 . 1 . . . . A 15 GLN NE2 . 36027 1 144 . 1 1 16 16 ILE H H 1 6.771 0.003 . 1 . . . . A 16 ILE H . 36027 1 145 . 1 1 16 16 ILE HA H 1 4.888 0.003 . 1 . . . . A 16 ILE HA . 36027 1 146 . 1 1 16 16 ILE HB H 1 1.078 0.000 . 1 . . . . A 16 ILE HB . 36027 1 147 . 1 1 16 16 ILE HG13 H 1 0.562 0.000 . 2 . . . . A 16 ILE HG13 . 36027 1 148 . 1 1 16 16 ILE HG21 H 1 0.819 0.004 . 1 . . . . A 16 ILE HG21 . 36027 1 149 . 1 1 16 16 ILE HG22 H 1 0.819 0.004 . 1 . . . . A 16 ILE HG22 . 36027 1 150 . 1 1 16 16 ILE HG23 H 1 0.819 0.004 . 1 . . . . A 16 ILE HG23 . 36027 1 151 . 1 1 16 16 ILE HD11 H 1 0.136 0.003 . 1 . . . . A 16 ILE HD11 . 36027 1 152 . 1 1 16 16 ILE HD12 H 1 0.136 0.003 . 1 . . . . A 16 ILE HD12 . 36027 1 153 . 1 1 16 16 ILE HD13 H 1 0.136 0.003 . 1 . . . . A 16 ILE HD13 . 36027 1 154 . 1 1 16 16 ILE CA C 13 60.681 0.015 . 1 . . . . A 16 ILE CA . 36027 1 155 . 1 1 16 16 ILE CB C 13 40.490 0.000 . 1 . . . . A 16 ILE CB . 36027 1 156 . 1 1 16 16 ILE CG1 C 13 26.992 0.000 . 1 . . . . A 16 ILE CG1 . 36027 1 157 . 1 1 16 16 ILE CG2 C 13 16.831 0.302 . 1 . . . . A 16 ILE CG2 . 36027 1 158 . 1 1 16 16 ILE CD1 C 13 13.038 0.187 . 1 . . . . A 16 ILE CD1 . 36027 1 159 . 1 1 16 16 ILE N N 15 119.097 0.070 . 1 . . . . A 16 ILE N . 36027 1 160 . 1 1 17 17 TRP H H 1 9.882 0.003 . 1 . . . . A 17 TRP H . 36027 1 161 . 1 1 17 17 TRP HA H 1 5.242 0.003 . 1 . . . . A 17 TRP HA . 36027 1 162 . 1 1 17 17 TRP HB2 H 1 2.738 0.003 . 2 . . . . A 17 TRP HB2 . 36027 1 163 . 1 1 17 17 TRP HB3 H 1 2.933 0.000 . 2 . . . . A 17 TRP HB3 . 36027 1 164 . 1 1 17 17 TRP HD1 H 1 6.379 0.005 . 1 . . . . A 17 TRP HD1 . 36027 1 165 . 1 1 17 17 TRP HE1 H 1 11.852 0.000 . 1 . . . . A 17 TRP HE1 . 36027 1 166 . 1 1 17 17 TRP HZ2 H 1 7.184 0.006 . 1 . . . . A 17 TRP HZ2 . 36027 1 167 . 1 1 17 17 TRP HH2 H 1 6.718 0.005 . 1 . . . . A 17 TRP HH2 . 36027 1 168 . 1 1 17 17 TRP CA C 13 57.551 0.011 . 1 . . . . A 17 TRP CA . 36027 1 169 . 1 1 17 17 TRP CB C 13 34.358 0.018 . 1 . . . . A 17 TRP CB . 36027 1 170 . 1 1 17 17 TRP CD1 C 13 124.592 0.033 . 1 . . . . A 17 TRP CD1 . 36027 1 171 . 1 1 17 17 TRP CZ2 C 13 113.320 0.059 . 1 . . . . A 17 TRP CZ2 . 36027 1 172 . 1 1 17 17 TRP CH2 C 13 123.825 0.024 . 1 . . . . A 17 TRP CH2 . 36027 1 173 . 1 1 17 17 TRP N N 15 127.456 0.036 . 1 . . . . A 17 TRP N . 36027 1 174 . 1 1 17 17 TRP NE1 N 15 132.955 0.000 . 1 . . . . A 17 TRP NE1 . 36027 1 175 . 1 1 18 18 ARG H H 1 9.708 0.002 . 1 . . . . A 18 ARG H . 36027 1 176 . 1 1 18 18 ARG HA H 1 4.575 0.002 . 1 . . . . A 18 ARG HA . 36027 1 177 . 1 1 18 18 ARG HB2 H 1 1.443 0.000 . 2 . . . . A 18 ARG HB2 . 36027 1 178 . 1 1 18 18 ARG HB3 H 1 2.030 0.000 . 2 . . . . A 18 ARG HB3 . 36027 1 179 . 1 1 18 18 ARG HG3 H 1 1.453 0.008 . 2 . . . . A 18 ARG HG3 . 36027 1 180 . 1 1 18 18 ARG CA C 13 55.207 0.012 . 1 . . . . A 18 ARG CA . 36027 1 181 . 1 1 18 18 ARG CB C 13 33.910 0.099 . 1 . . . . A 18 ARG CB . 36027 1 182 . 1 1 18 18 ARG CG C 13 27.340 0.023 . 1 . . . . A 18 ARG CG . 36027 1 183 . 1 1 18 18 ARG N N 15 124.842 0.036 . 1 . . . . A 18 ARG N . 36027 1 184 . 1 1 19 19 VAL H H 1 8.460 0.001 . 1 . . . . A 19 VAL H . 36027 1 185 . 1 1 19 19 VAL HA H 1 4.385 0.007 . 1 . . . . A 19 VAL HA . 36027 1 186 . 1 1 19 19 VAL HB H 1 2.074 0.000 . 1 . . . . A 19 VAL HB . 36027 1 187 . 1 1 19 19 VAL HG11 H 1 0.816 0.005 . 2 . . . . A 19 VAL HG11 . 36027 1 188 . 1 1 19 19 VAL HG12 H 1 0.816 0.005 . 2 . . . . A 19 VAL HG12 . 36027 1 189 . 1 1 19 19 VAL HG13 H 1 0.816 0.005 . 2 . . . . A 19 VAL HG13 . 36027 1 190 . 1 1 19 19 VAL HG21 H 1 0.944 0.010 . 2 . . . . A 19 VAL HG21 . 36027 1 191 . 1 1 19 19 VAL HG22 H 1 0.944 0.010 . 2 . . . . A 19 VAL HG22 . 36027 1 192 . 1 1 19 19 VAL HG23 H 1 0.944 0.010 . 2 . . . . A 19 VAL HG23 . 36027 1 193 . 1 1 19 19 VAL CA C 13 62.652 0.043 . 1 . . . . A 19 VAL CA . 36027 1 194 . 1 1 19 19 VAL CB C 13 31.016 0.000 . 1 . . . . A 19 VAL CB . 36027 1 195 . 1 1 19 19 VAL CG1 C 13 21.272 0.386 . 2 . . . . A 19 VAL CG1 . 36027 1 196 . 1 1 19 19 VAL CG2 C 13 21.874 0.308 . 2 . . . . A 19 VAL CG2 . 36027 1 197 . 1 1 19 19 VAL N N 15 126.589 0.103 . 1 . . . . A 19 VAL N . 36027 1 198 . 1 1 20 20 GLU H H 1 8.574 0.002 . 1 . . . . A 20 GLU H . 36027 1 199 . 1 1 20 20 GLU HA H 1 4.585 0.000 . 1 . . . . A 20 GLU HA . 36027 1 200 . 1 1 20 20 GLU HB2 H 1 1.820 0.015 . 2 . . . . A 20 GLU HB2 . 36027 1 201 . 1 1 20 20 GLU HG3 H 1 2.198 0.000 . 2 . . . . A 20 GLU HG3 . 36027 1 202 . 1 1 20 20 GLU CA C 13 54.844 0.009 . 1 . . . . A 20 GLU CA . 36027 1 203 . 1 1 20 20 GLU CB C 13 31.086 0.025 . 1 . . . . A 20 GLU CB . 36027 1 204 . 1 1 20 20 GLU CG C 13 36.258 0.000 . 1 . . . . A 20 GLU CG . 36027 1 205 . 1 1 20 20 GLU N N 15 128.158 0.207 . 1 . . . . A 20 GLU N . 36027 1 206 . 1 1 21 21 LYS H H 1 9.361 0.003 . 1 . . . . A 21 LYS H . 36027 1 207 . 1 1 21 21 LYS HA H 1 3.529 0.001 . 1 . . . . A 21 LYS HA . 36027 1 208 . 1 1 21 21 LYS HB2 H 1 1.813 0.007 . 2 . . . . A 21 LYS HB2 . 36027 1 209 . 1 1 21 21 LYS HG2 H 1 1.258 0.006 . 2 . . . . A 21 LYS HG2 . 36027 1 210 . 1 1 21 21 LYS CA C 13 58.201 0.020 . 1 . . . . A 21 LYS CA . 36027 1 211 . 1 1 21 21 LYS CB C 13 30.101 0.018 . 1 . . . . A 21 LYS CB . 36027 1 212 . 1 1 21 21 LYS CG C 13 25.105 0.102 . 1 . . . . A 21 LYS CG . 36027 1 213 . 1 1 21 21 LYS N N 15 125.612 0.042 . 1 . . . . A 21 LYS N . 36027 1 214 . 1 1 22 22 PHE H H 1 8.344 0.004 . 1 . . . . A 22 PHE H . 36027 1 215 . 1 1 22 22 PHE HB2 H 1 3.438 0.001 . 2 . . . . A 22 PHE HB2 . 36027 1 216 . 1 1 22 22 PHE HB3 H 1 3.058 0.026 . 2 . . . . A 22 PHE HB3 . 36027 1 217 . 1 1 22 22 PHE HD1 H 1 7.142 0.000 . 3 . . . . A 22 PHE HD1 . 36027 1 218 . 1 1 22 22 PHE HE1 H 1 7.281 0.000 . 3 . . . . A 22 PHE HE1 . 36027 1 219 . 1 1 22 22 PHE CB C 13 37.576 0.103 . 1 . . . . A 22 PHE CB . 36027 1 220 . 1 1 22 22 PHE CD1 C 13 131.868 0.000 . 3 . . . . A 22 PHE CD1 . 36027 1 221 . 1 1 22 22 PHE CE1 C 13 131.027 0.000 . 3 . . . . A 22 PHE CE1 . 36027 1 222 . 1 1 22 22 PHE N N 15 114.457 0.105 . 1 . . . . A 22 PHE N . 36027 1 223 . 1 1 23 23 ASP H H 1 7.910 0.003 . 1 . . . . A 23 ASP H . 36027 1 224 . 1 1 23 23 ASP HA H 1 5.109 0.006 . 1 . . . . A 23 ASP HA . 36027 1 225 . 1 1 23 23 ASP HB3 H 1 2.623 0.005 . 2 . . . . A 23 ASP HB3 . 36027 1 226 . 1 1 23 23 ASP CA C 13 52.697 0.007 . 1 . . . . A 23 ASP CA . 36027 1 227 . 1 1 23 23 ASP CB C 13 44.499 0.025 . 1 . . . . A 23 ASP CB . 36027 1 228 . 1 1 23 23 ASP N N 15 119.446 0.038 . 1 . . . . A 23 ASP N . 36027 1 229 . 1 1 24 24 LEU H H 1 7.403 0.008 . 1 . . . . A 24 LEU H . 36027 1 230 . 1 1 24 24 LEU HA H 1 4.388 0.006 . 1 . . . . A 24 LEU HA . 36027 1 231 . 1 1 24 24 LEU HB3 H 1 0.284 0.000 . 2 . . . . A 24 LEU HB3 . 36027 1 232 . 1 1 24 24 LEU HD11 H 1 -0.151 0.000 . 2 . . . . A 24 LEU HD11 . 36027 1 233 . 1 1 24 24 LEU HD12 H 1 -0.151 0.000 . 2 . . . . A 24 LEU HD12 . 36027 1 234 . 1 1 24 24 LEU HD13 H 1 -0.151 0.000 . 2 . . . . A 24 LEU HD13 . 36027 1 235 . 1 1 24 24 LEU HD21 H 1 -0.363 0.005 . 2 . . . . A 24 LEU HD21 . 36027 1 236 . 1 1 24 24 LEU HD22 H 1 -0.363 0.005 . 2 . . . . A 24 LEU HD22 . 36027 1 237 . 1 1 24 24 LEU HD23 H 1 -0.363 0.005 . 2 . . . . A 24 LEU HD23 . 36027 1 238 . 1 1 24 24 LEU CA C 13 53.296 0.044 . 1 . . . . A 24 LEU CA . 36027 1 239 . 1 1 24 24 LEU CB C 13 43.171 0.000 . 1 . . . . A 24 LEU CB . 36027 1 240 . 1 1 24 24 LEU CD1 C 13 23.459 0.173 . 2 . . . . A 24 LEU CD1 . 36027 1 241 . 1 1 24 24 LEU CD2 C 13 24.602 0.037 . 2 . . . . A 24 LEU CD2 . 36027 1 242 . 1 1 24 24 LEU N N 15 120.886 0.031 . 1 . . . . A 24 LEU N . 36027 1 243 . 1 1 25 25 VAL H H 1 9.007 0.002 . 1 . . . . A 25 VAL H . 36027 1 244 . 1 1 25 25 VAL HA H 1 4.747 0.000 . 1 . . . . A 25 VAL HA . 36027 1 245 . 1 1 25 25 VAL HB H 1 2.064 0.011 . 1 . . . . A 25 VAL HB . 36027 1 246 . 1 1 25 25 VAL HG11 H 1 0.900 0.010 . 2 . . . . A 25 VAL HG11 . 36027 1 247 . 1 1 25 25 VAL HG12 H 1 0.900 0.010 . 2 . . . . A 25 VAL HG12 . 36027 1 248 . 1 1 25 25 VAL HG13 H 1 0.900 0.010 . 2 . . . . A 25 VAL HG13 . 36027 1 249 . 1 1 25 25 VAL HG21 H 1 1.054 0.000 . 2 . . . . A 25 VAL HG21 . 36027 1 250 . 1 1 25 25 VAL HG22 H 1 1.054 0.000 . 2 . . . . A 25 VAL HG22 . 36027 1 251 . 1 1 25 25 VAL HG23 H 1 1.054 0.000 . 2 . . . . A 25 VAL HG23 . 36027 1 252 . 1 1 25 25 VAL CA C 13 59.298 0.000 . 1 . . . . A 25 VAL CA . 36027 1 253 . 1 1 25 25 VAL CB C 13 34.772 0.078 . 1 . . . . A 25 VAL CB . 36027 1 254 . 1 1 25 25 VAL CG1 C 13 21.177 0.092 . 2 . . . . A 25 VAL CG1 . 36027 1 255 . 1 1 25 25 VAL CG2 C 13 20.661 0.010 . 2 . . . . A 25 VAL CG2 . 36027 1 256 . 1 1 25 25 VAL N N 15 124.827 0.030 . 1 . . . . A 25 VAL N . 36027 1 257 . 1 1 26 26 PRO HA H 1 4.492 0.004 . 1 . . . . A 26 PRO HA . 36027 1 258 . 1 1 26 26 PRO HB2 H 1 1.848 0.000 . 2 . . . . A 26 PRO HB2 . 36027 1 259 . 1 1 26 26 PRO HB3 H 1 2.243 0.000 . 2 . . . . A 26 PRO HB3 . 36027 1 260 . 1 1 26 26 PRO CA C 13 63.942 0.002 . 1 . . . . A 26 PRO CA . 36027 1 261 . 1 1 26 26 PRO CB C 13 32.219 0.005 . 1 . . . . A 26 PRO CB . 36027 1 262 . 1 1 27 27 VAL H H 1 8.165 0.001 . 1 . . . . A 27 VAL H . 36027 1 263 . 1 1 27 27 VAL HA H 1 4.336 0.004 . 1 . . . . A 27 VAL HA . 36027 1 264 . 1 1 27 27 VAL HB H 1 1.780 0.002 . 1 . . . . A 27 VAL HB . 36027 1 265 . 1 1 27 27 VAL HG11 H 1 1.100 0.004 . 2 . . . . A 27 VAL HG11 . 36027 1 266 . 1 1 27 27 VAL HG12 H 1 1.100 0.004 . 2 . . . . A 27 VAL HG12 . 36027 1 267 . 1 1 27 27 VAL HG13 H 1 1.100 0.004 . 2 . . . . A 27 VAL HG13 . 36027 1 268 . 1 1 27 27 VAL HG21 H 1 0.905 0.004 . 2 . . . . A 27 VAL HG21 . 36027 1 269 . 1 1 27 27 VAL HG22 H 1 0.905 0.004 . 2 . . . . A 27 VAL HG22 . 36027 1 270 . 1 1 27 27 VAL HG23 H 1 0.905 0.004 . 2 . . . . A 27 VAL HG23 . 36027 1 271 . 1 1 27 27 VAL CA C 13 60.022 0.003 . 1 . . . . A 27 VAL CA . 36027 1 272 . 1 1 27 27 VAL CB C 13 34.133 0.003 . 1 . . . . A 27 VAL CB . 36027 1 273 . 1 1 27 27 VAL CG1 C 13 23.896 0.137 . 2 . . . . A 27 VAL CG1 . 36027 1 274 . 1 1 27 27 VAL CG2 C 13 19.661 0.018 . 2 . . . . A 27 VAL CG2 . 36027 1 275 . 1 1 27 27 VAL N N 15 127.172 0.059 . 1 . . . . A 27 VAL N . 36027 1 276 . 1 1 28 28 PRO HA H 1 4.440 0.000 . 1 . . . . A 28 PRO HA . 36027 1 277 . 1 1 28 28 PRO HB2 H 1 2.325 0.006 . 2 . . . . A 28 PRO HB2 . 36027 1 278 . 1 1 28 28 PRO HB3 H 1 1.787 0.000 . 2 . . . . A 28 PRO HB3 . 36027 1 279 . 1 1 28 28 PRO HG2 H 1 2.055 0.001 . 2 . . . . A 28 PRO HG2 . 36027 1 280 . 1 1 28 28 PRO CA C 13 63.276 0.000 . 1 . . . . A 28 PRO CA . 36027 1 281 . 1 1 28 28 PRO CB C 13 32.263 0.028 . 1 . . . . A 28 PRO CB . 36027 1 282 . 1 1 28 28 PRO CG C 13 28.175 0.027 . 1 . . . . A 28 PRO CG . 36027 1 283 . 1 1 29 29 THR H H 1 8.220 0.003 . 1 . . . . A 29 THR H . 36027 1 284 . 1 1 29 29 THR HA H 1 2.646 0.002 . 1 . . . . A 29 THR HA . 36027 1 285 . 1 1 29 29 THR HB H 1 3.655 0.000 . 1 . . . . A 29 THR HB . 36027 1 286 . 1 1 29 29 THR HG21 H 1 0.985 0.002 . 1 . . . . A 29 THR HG21 . 36027 1 287 . 1 1 29 29 THR HG22 H 1 0.985 0.002 . 1 . . . . A 29 THR HG22 . 36027 1 288 . 1 1 29 29 THR HG23 H 1 0.985 0.002 . 1 . . . . A 29 THR HG23 . 36027 1 289 . 1 1 29 29 THR CA C 13 64.884 0.019 . 1 . . . . A 29 THR CA . 36027 1 290 . 1 1 29 29 THR CB C 13 68.217 0.000 . 1 . . . . A 29 THR CB . 36027 1 291 . 1 1 29 29 THR CG2 C 13 22.035 0.072 . 1 . . . . A 29 THR CG2 . 36027 1 292 . 1 1 29 29 THR N N 15 115.460 0.046 . 1 . . . . A 29 THR N . 36027 1 293 . 1 1 30 30 ASN H H 1 8.333 0.003 . 1 . . . . A 30 ASN H . 36027 1 294 . 1 1 30 30 ASN HA H 1 4.362 0.013 . 1 . . . . A 30 ASN HA . 36027 1 295 . 1 1 30 30 ASN HB2 H 1 2.671 0.016 . 2 . . . . A 30 ASN HB2 . 36027 1 296 . 1 1 30 30 ASN HD21 H 1 6.639 0.000 . 2 . . . . A 30 ASN HD21 . 36027 1 297 . 1 1 30 30 ASN HD22 H 1 7.569 0.000 . 2 . . . . A 30 ASN HD22 . 36027 1 298 . 1 1 30 30 ASN CA C 13 54.574 0.045 . 1 . . . . A 30 ASN CA . 36027 1 299 . 1 1 30 30 ASN CB C 13 36.781 0.010 . 1 . . . . A 30 ASN CB . 36027 1 300 . 1 1 30 30 ASN N N 15 116.531 0.070 . 1 . . . . A 30 ASN N . 36027 1 301 . 1 1 30 30 ASN ND2 N 15 112.530 0.038 . 1 . . . . A 30 ASN ND2 . 36027 1 302 . 1 1 31 31 LEU H H 1 7.866 0.001 . 1 . . . . A 31 LEU H . 36027 1 303 . 1 1 31 31 LEU HA H 1 4.383 0.001 . 1 . . . . A 31 LEU HA . 36027 1 304 . 1 1 31 31 LEU HB2 H 1 1.730 0.000 . 2 . . . . A 31 LEU HB2 . 36027 1 305 . 1 1 31 31 LEU HB3 H 1 1.507 0.000 . 2 . . . . A 31 LEU HB3 . 36027 1 306 . 1 1 31 31 LEU HG H 1 1.393 0.000 . 1 . . . . A 31 LEU HG . 36027 1 307 . 1 1 31 31 LEU HD11 H 1 0.748 0.004 . 2 . . . . A 31 LEU HD11 . 36027 1 308 . 1 1 31 31 LEU HD12 H 1 0.748 0.004 . 2 . . . . A 31 LEU HD12 . 36027 1 309 . 1 1 31 31 LEU HD13 H 1 0.748 0.004 . 2 . . . . A 31 LEU HD13 . 36027 1 310 . 1 1 31 31 LEU HD21 H 1 0.855 0.001 . 2 . . . . A 31 LEU HD21 . 36027 1 311 . 1 1 31 31 LEU HD22 H 1 0.855 0.001 . 2 . . . . A 31 LEU HD22 . 36027 1 312 . 1 1 31 31 LEU HD23 H 1 0.855 0.001 . 2 . . . . A 31 LEU HD23 . 36027 1 313 . 1 1 31 31 LEU CA C 13 53.551 0.004 . 1 . . . . A 31 LEU CA . 36027 1 314 . 1 1 31 31 LEU CB C 13 41.716 0.016 . 1 . . . . A 31 LEU CB . 36027 1 315 . 1 1 31 31 LEU CG C 13 26.777 0.000 . 1 . . . . A 31 LEU CG . 36027 1 316 . 1 1 31 31 LEU CD1 C 13 22.533 0.017 . 2 . . . . A 31 LEU CD1 . 36027 1 317 . 1 1 31 31 LEU CD2 C 13 25.806 0.025 . 2 . . . . A 31 LEU CD2 . 36027 1 318 . 1 1 31 31 LEU N N 15 118.837 0.052 . 1 . . . . A 31 LEU N . 36027 1 319 . 1 1 32 32 TYR H H 1 7.156 0.003 . 1 . . . . A 32 TYR H . 36027 1 320 . 1 1 32 32 TYR HA H 1 4.125 0.006 . 1 . . . . A 32 TYR HA . 36027 1 321 . 1 1 32 32 TYR HB2 H 1 2.759 0.011 . 2 . . . . A 32 TYR HB2 . 36027 1 322 . 1 1 32 32 TYR HB3 H 1 3.201 0.000 . 2 . . . . A 32 TYR HB3 . 36027 1 323 . 1 1 32 32 TYR HD1 H 1 6.839 0.003 . 3 . . . . A 32 TYR HD1 . 36027 1 324 . 1 1 32 32 TYR HE1 H 1 6.846 0.010 . 3 . . . . A 32 TYR HE1 . 36027 1 325 . 1 1 32 32 TYR CA C 13 57.264 0.007 . 1 . . . . A 32 TYR CA . 36027 1 326 . 1 1 32 32 TYR CB C 13 36.291 0.104 . 1 . . . . A 32 TYR CB . 36027 1 327 . 1 1 32 32 TYR CD1 C 13 131.275 0.061 . 3 . . . . A 32 TYR CD1 . 36027 1 328 . 1 1 32 32 TYR CE1 C 13 118.832 0.076 . 3 . . . . A 32 TYR CE1 . 36027 1 329 . 1 1 32 32 TYR N N 15 120.198 0.047 . 1 . . . . A 32 TYR N . 36027 1 330 . 1 1 33 33 GLY H H 1 8.237 0.003 . 1 . . . . A 33 GLY H . 36027 1 331 . 1 1 33 33 GLY HA2 H 1 2.396 0.001 . 2 . . . . A 33 GLY HA2 . 36027 1 332 . 1 1 33 33 GLY HA3 H 1 4.196 0.006 . 2 . . . . A 33 GLY HA3 . 36027 1 333 . 1 1 33 33 GLY CA C 13 45.091 0.030 . 1 . . . . A 33 GLY CA . 36027 1 334 . 1 1 33 33 GLY N N 15 114.109 0.069 . 1 . . . . A 33 GLY N . 36027 1 335 . 1 1 34 34 ASP H H 1 7.381 0.001 . 1 . . . . A 34 ASP H . 36027 1 336 . 1 1 34 34 ASP HA H 1 4.821 0.007 . 1 . . . . A 34 ASP HA . 36027 1 337 . 1 1 34 34 ASP HB2 H 1 2.692 0.008 . 2 . . . . A 34 ASP HB2 . 36027 1 338 . 1 1 34 34 ASP HB3 H 1 1.861 0.003 . 2 . . . . A 34 ASP HB3 . 36027 1 339 . 1 1 34 34 ASP CA C 13 52.764 0.023 . 1 . . . . A 34 ASP CA . 36027 1 340 . 1 1 34 34 ASP CB C 13 40.004 0.041 . 1 . . . . A 34 ASP CB . 36027 1 341 . 1 1 34 34 ASP N N 15 121.832 0.045 . 1 . . . . A 34 ASP N . 36027 1 342 . 1 1 35 35 PHE H H 1 8.331 0.005 . 1 . . . . A 35 PHE H . 36027 1 343 . 1 1 35 35 PHE HA H 1 4.130 0.004 . 1 . . . . A 35 PHE HA . 36027 1 344 . 1 1 35 35 PHE HB3 H 1 1.790 0.000 . 2 . . . . A 35 PHE HB3 . 36027 1 345 . 1 1 35 35 PHE HD1 H 1 5.480 0.004 . 3 . . . . A 35 PHE HD1 . 36027 1 346 . 1 1 35 35 PHE HE1 H 1 5.862 0.007 . 3 . . . . A 35 PHE HE1 . 36027 1 347 . 1 1 35 35 PHE HZ H 1 6.381 0.015 . 1 . . . . A 35 PHE HZ . 36027 1 348 . 1 1 35 35 PHE CA C 13 56.441 0.001 . 1 . . . . A 35 PHE CA . 36027 1 349 . 1 1 35 35 PHE CB C 13 42.021 0.000 . 1 . . . . A 35 PHE CB . 36027 1 350 . 1 1 35 35 PHE CD1 C 13 131.769 0.045 . 3 . . . . A 35 PHE CD1 . 36027 1 351 . 1 1 35 35 PHE CE1 C 13 128.660 0.042 . 3 . . . . A 35 PHE CE1 . 36027 1 352 . 1 1 35 35 PHE CZ C 13 126.513 0.043 . 1 . . . . A 35 PHE CZ . 36027 1 353 . 1 1 35 35 PHE N N 15 122.743 0.084 . 1 . . . . A 35 PHE N . 36027 1 354 . 1 1 36 36 PHE H H 1 8.919 0.004 . 1 . . . . A 36 PHE H . 36027 1 355 . 1 1 36 36 PHE HA H 1 5.266 0.012 . 1 . . . . A 36 PHE HA . 36027 1 356 . 1 1 36 36 PHE HB2 H 1 3.522 0.000 . 2 . . . . A 36 PHE HB2 . 36027 1 357 . 1 1 36 36 PHE HD1 H 1 7.133 0.011 . 3 . . . . A 36 PHE HD1 . 36027 1 358 . 1 1 36 36 PHE CA C 13 58.193 0.006 . 1 . . . . A 36 PHE CA . 36027 1 359 . 1 1 36 36 PHE CB C 13 38.542 0.000 . 1 . . . . A 36 PHE CB . 36027 1 360 . 1 1 36 36 PHE CD1 C 13 132.627 0.042 . 3 . . . . A 36 PHE CD1 . 36027 1 361 . 1 1 36 36 PHE N N 15 123.460 0.072 . 1 . . . . A 36 PHE N . 36027 1 362 . 1 1 37 37 THR H H 1 9.155 0.003 . 1 . . . . A 37 THR H . 36027 1 363 . 1 1 37 37 THR HA H 1 4.426 0.004 . 1 . . . . A 37 THR HA . 36027 1 364 . 1 1 37 37 THR HB H 1 4.670 0.003 . 1 . . . . A 37 THR HB . 36027 1 365 . 1 1 37 37 THR HG21 H 1 1.390 0.004 . 1 . . . . A 37 THR HG21 . 36027 1 366 . 1 1 37 37 THR HG22 H 1 1.390 0.004 . 1 . . . . A 37 THR HG22 . 36027 1 367 . 1 1 37 37 THR HG23 H 1 1.390 0.004 . 1 . . . . A 37 THR HG23 . 36027 1 368 . 1 1 37 37 THR CA C 13 64.691 0.069 . 1 . . . . A 37 THR CA . 36027 1 369 . 1 1 37 37 THR CB C 13 69.189 0.016 . 1 . . . . A 37 THR CB . 36027 1 370 . 1 1 37 37 THR CG2 C 13 22.796 0.150 . 1 . . . . A 37 THR CG2 . 36027 1 371 . 1 1 37 37 THR N N 15 113.705 0.076 . 1 . . . . A 37 THR N . 36027 1 372 . 1 1 38 38 GLY H H 1 8.515 0.003 . 1 . . . . A 38 GLY H . 36027 1 373 . 1 1 38 38 GLY HA2 H 1 3.982 0.018 . 2 . . . . A 38 GLY HA2 . 36027 1 374 . 1 1 38 38 GLY HA3 H 1 3.520 0.012 . 2 . . . . A 38 GLY HA3 . 36027 1 375 . 1 1 38 38 GLY CA C 13 44.902 0.053 . 1 . . . . A 38 GLY CA . 36027 1 376 . 1 1 38 38 GLY N N 15 108.450 0.098 . 1 . . . . A 38 GLY N . 36027 1 377 . 1 1 39 39 ASP H H 1 7.807 0.001 . 1 . . . . A 39 ASP H . 36027 1 378 . 1 1 39 39 ASP HA H 1 5.428 0.001 . 1 . . . . A 39 ASP HA . 36027 1 379 . 1 1 39 39 ASP HB2 H 1 3.121 0.001 . 2 . . . . A 39 ASP HB2 . 36027 1 380 . 1 1 39 39 ASP HB3 H 1 2.639 0.003 . 2 . . . . A 39 ASP HB3 . 36027 1 381 . 1 1 39 39 ASP CA C 13 53.653 0.002 . 1 . . . . A 39 ASP CA . 36027 1 382 . 1 1 39 39 ASP CB C 13 47.202 0.015 . 1 . . . . A 39 ASP CB . 36027 1 383 . 1 1 39 39 ASP N N 15 119.970 0.065 . 1 . . . . A 39 ASP N . 36027 1 384 . 1 1 40 40 ALA H H 1 8.940 0.003 . 1 . . . . A 40 ALA H . 36027 1 385 . 1 1 40 40 ALA HA H 1 5.953 0.009 . 1 . . . . A 40 ALA HA . 36027 1 386 . 1 1 40 40 ALA HB1 H 1 1.452 0.006 . 1 . . . . A 40 ALA HB1 . 36027 1 387 . 1 1 40 40 ALA HB2 H 1 1.452 0.006 . 1 . . . . A 40 ALA HB2 . 36027 1 388 . 1 1 40 40 ALA HB3 H 1 1.452 0.006 . 1 . . . . A 40 ALA HB3 . 36027 1 389 . 1 1 40 40 ALA CA C 13 50.404 0.064 . 1 . . . . A 40 ALA CA . 36027 1 390 . 1 1 40 40 ALA CB C 13 23.795 0.130 . 1 . . . . A 40 ALA CB . 36027 1 391 . 1 1 40 40 ALA N N 15 118.468 0.047 . 1 . . . . A 40 ALA N . 36027 1 392 . 1 1 41 41 TYR H H 1 9.451 0.002 . 1 . . . . A 41 TYR H . 36027 1 393 . 1 1 41 41 TYR HA H 1 5.748 0.005 . 1 . . . . A 41 TYR HA . 36027 1 394 . 1 1 41 41 TYR HB2 H 1 3.032 0.017 . 2 . . . . A 41 TYR HB2 . 36027 1 395 . 1 1 41 41 TYR HB3 H 1 3.248 0.008 . 2 . . . . A 41 TYR HB3 . 36027 1 396 . 1 1 41 41 TYR HD1 H 1 7.325 0.005 . 3 . . . . A 41 TYR HD1 . 36027 1 397 . 1 1 41 41 TYR HE1 H 1 7.242 0.005 . 3 . . . . A 41 TYR HE1 . 36027 1 398 . 1 1 41 41 TYR CA C 13 56.543 0.038 . 1 . . . . A 41 TYR CA . 36027 1 399 . 1 1 41 41 TYR CB C 13 44.563 0.082 . 1 . . . . A 41 TYR CB . 36027 1 400 . 1 1 41 41 TYR CD1 C 13 133.754 0.083 . 3 . . . . A 41 TYR CD1 . 36027 1 401 . 1 1 41 41 TYR CE1 C 13 119.466 0.044 . 3 . . . . A 41 TYR CE1 . 36027 1 402 . 1 1 41 41 TYR N N 15 116.340 0.088 . 1 . . . . A 41 TYR N . 36027 1 403 . 1 1 42 42 VAL H H 1 9.654 0.000 . 1 . . . . A 42 VAL H . 36027 1 404 . 1 1 42 42 VAL HA H 1 4.934 0.006 . 1 . . . . A 42 VAL HA . 36027 1 405 . 1 1 42 42 VAL HB H 1 1.974 0.003 . 1 . . . . A 42 VAL HB . 36027 1 406 . 1 1 42 42 VAL HG11 H 1 0.956 0.016 . 2 . . . . A 42 VAL HG11 . 36027 1 407 . 1 1 42 42 VAL HG12 H 1 0.956 0.016 . 2 . . . . A 42 VAL HG12 . 36027 1 408 . 1 1 42 42 VAL HG13 H 1 0.956 0.016 . 2 . . . . A 42 VAL HG13 . 36027 1 409 . 1 1 42 42 VAL CA C 13 62.755 0.064 . 1 . . . . A 42 VAL CA . 36027 1 410 . 1 1 42 42 VAL CB C 13 35.334 0.002 . 1 . . . . A 42 VAL CB . 36027 1 411 . 1 1 42 42 VAL CG1 C 13 21.594 0.111 . 2 . . . . A 42 VAL CG1 . 36027 1 412 . 1 1 42 42 VAL N N 15 120.829 0.055 . 1 . . . . A 42 VAL N . 36027 1 413 . 1 1 43 43 ILE H H 1 10.010 0.002 . 1 . . . . A 43 ILE H . 36027 1 414 . 1 1 43 43 ILE HA H 1 5.408 0.008 . 1 . . . . A 43 ILE HA . 36027 1 415 . 1 1 43 43 ILE HB H 1 2.232 0.003 . 1 . . . . A 43 ILE HB . 36027 1 416 . 1 1 43 43 ILE HG12 H 1 1.617 0.007 . 2 . . . . A 43 ILE HG12 . 36027 1 417 . 1 1 43 43 ILE HG13 H 1 2.048 0.000 . 2 . . . . A 43 ILE HG13 . 36027 1 418 . 1 1 43 43 ILE HG21 H 1 0.955 0.005 . 1 . . . . A 43 ILE HG21 . 36027 1 419 . 1 1 43 43 ILE HG22 H 1 0.955 0.005 . 1 . . . . A 43 ILE HG22 . 36027 1 420 . 1 1 43 43 ILE HG23 H 1 0.955 0.005 . 1 . . . . A 43 ILE HG23 . 36027 1 421 . 1 1 43 43 ILE HD11 H 1 1.305 0.003 . 1 . . . . A 43 ILE HD11 . 36027 1 422 . 1 1 43 43 ILE HD12 H 1 1.305 0.003 . 1 . . . . A 43 ILE HD12 . 36027 1 423 . 1 1 43 43 ILE HD13 H 1 1.305 0.003 . 1 . . . . A 43 ILE HD13 . 36027 1 424 . 1 1 43 43 ILE CA C 13 61.583 0.024 . 1 . . . . A 43 ILE CA . 36027 1 425 . 1 1 43 43 ILE CB C 13 42.936 0.005 . 1 . . . . A 43 ILE CB . 36027 1 426 . 1 1 43 43 ILE CG1 C 13 32.415 0.072 . 1 . . . . A 43 ILE CG1 . 36027 1 427 . 1 1 43 43 ILE CG2 C 13 22.864 0.157 . 1 . . . . A 43 ILE CG2 . 36027 1 428 . 1 1 43 43 ILE CD1 C 13 18.733 0.274 . 1 . . . . A 43 ILE CD1 . 36027 1 429 . 1 1 43 43 ILE N N 15 128.085 0.057 . 1 . . . . A 43 ILE N . 36027 1 430 . 1 1 44 44 LEU H H 1 9.585 0.003 . 1 . . . . A 44 LEU H . 36027 1 431 . 1 1 44 44 LEU HA H 1 5.670 0.002 . 1 . . . . A 44 LEU HA . 36027 1 432 . 1 1 44 44 LEU HB2 H 1 1.444 0.000 . 2 . . . . A 44 LEU HB2 . 36027 1 433 . 1 1 44 44 LEU HB3 H 1 2.233 0.000 . 2 . . . . A 44 LEU HB3 . 36027 1 434 . 1 1 44 44 LEU HG H 1 1.699 0.029 . 1 . . . . A 44 LEU HG . 36027 1 435 . 1 1 44 44 LEU HD11 H 1 0.963 0.010 . 2 . . . . A 44 LEU HD11 . 36027 1 436 . 1 1 44 44 LEU HD12 H 1 0.963 0.010 . 2 . . . . A 44 LEU HD12 . 36027 1 437 . 1 1 44 44 LEU HD13 H 1 0.963 0.010 . 2 . . . . A 44 LEU HD13 . 36027 1 438 . 1 1 44 44 LEU HD21 H 1 0.973 0.005 . 2 . . . . A 44 LEU HD21 . 36027 1 439 . 1 1 44 44 LEU HD22 H 1 0.973 0.005 . 2 . . . . A 44 LEU HD22 . 36027 1 440 . 1 1 44 44 LEU HD23 H 1 0.973 0.005 . 2 . . . . A 44 LEU HD23 . 36027 1 441 . 1 1 44 44 LEU CA C 13 53.341 0.012 . 1 . . . . A 44 LEU CA . 36027 1 442 . 1 1 44 44 LEU CB C 13 46.618 0.019 . 1 . . . . A 44 LEU CB . 36027 1 443 . 1 1 44 44 LEU CG C 13 27.645 0.008 . 1 . . . . A 44 LEU CG . 36027 1 444 . 1 1 44 44 LEU CD1 C 13 23.315 0.037 . 2 . . . . A 44 LEU CD1 . 36027 1 445 . 1 1 44 44 LEU CD2 C 13 27.277 0.113 . 2 . . . . A 44 LEU CD2 . 36027 1 446 . 1 1 44 44 LEU N N 15 127.472 0.045 . 1 . . . . A 44 LEU N . 36027 1 447 . 1 1 45 45 LYS H H 1 9.877 0.002 . 1 . . . . A 45 LYS H . 36027 1 448 . 1 1 45 45 LYS HA H 1 5.049 0.010 . 1 . . . . A 45 LYS HA . 36027 1 449 . 1 1 45 45 LYS HB2 H 1 2.301 0.011 . 2 . . . . A 45 LYS HB2 . 36027 1 450 . 1 1 45 45 LYS HB3 H 1 0.917 0.005 . 2 . . . . A 45 LYS HB3 . 36027 1 451 . 1 1 45 45 LYS HG2 H 1 0.942 0.001 . 2 . . . . A 45 LYS HG2 . 36027 1 452 . 1 1 45 45 LYS HD3 H 1 0.718 0.000 . 2 . . . . A 45 LYS HD3 . 36027 1 453 . 1 1 45 45 LYS CA C 13 54.233 0.016 . 1 . . . . A 45 LYS CA . 36027 1 454 . 1 1 45 45 LYS CB C 13 33.751 0.047 . 1 . . . . A 45 LYS CB . 36027 1 455 . 1 1 45 45 LYS CG C 13 24.918 0.010 . 1 . . . . A 45 LYS CG . 36027 1 456 . 1 1 45 45 LYS CD C 13 28.008 0.000 . 1 . . . . A 45 LYS CD . 36027 1 457 . 1 1 45 45 LYS N N 15 134.940 0.049 . 1 . . . . A 45 LYS N . 36027 1 458 . 1 1 46 46 THR H H 1 9.252 0.004 . 1 . . . . A 46 THR H . 36027 1 459 . 1 1 46 46 THR HA H 1 5.116 0.007 . 1 . . . . A 46 THR HA . 36027 1 460 . 1 1 46 46 THR HB H 1 4.138 0.013 . 1 . . . . A 46 THR HB . 36027 1 461 . 1 1 46 46 THR HG21 H 1 0.834 0.002 . 1 . . . . A 46 THR HG21 . 36027 1 462 . 1 1 46 46 THR HG22 H 1 0.834 0.002 . 1 . . . . A 46 THR HG22 . 36027 1 463 . 1 1 46 46 THR HG23 H 1 0.834 0.002 . 1 . . . . A 46 THR HG23 . 36027 1 464 . 1 1 46 46 THR CA C 13 62.549 0.023 . 1 . . . . A 46 THR CA . 36027 1 465 . 1 1 46 46 THR CB C 13 69.846 0.041 . 1 . . . . A 46 THR CB . 36027 1 466 . 1 1 46 46 THR CG2 C 13 23.866 0.140 . 1 . . . . A 46 THR CG2 . 36027 1 467 . 1 1 46 46 THR N N 15 126.291 0.029 . 1 . . . . A 46 THR N . 36027 1 468 . 1 1 47 47 VAL H H 1 9.077 0.002 . 1 . . . . A 47 VAL H . 36027 1 469 . 1 1 47 47 VAL HA H 1 4.290 0.001 . 1 . . . . A 47 VAL HA . 36027 1 470 . 1 1 47 47 VAL HB H 1 1.862 0.009 . 1 . . . . A 47 VAL HB . 36027 1 471 . 1 1 47 47 VAL HG11 H 1 0.833 0.005 . 2 . . . . A 47 VAL HG11 . 36027 1 472 . 1 1 47 47 VAL HG12 H 1 0.833 0.005 . 2 . . . . A 47 VAL HG12 . 36027 1 473 . 1 1 47 47 VAL HG13 H 1 0.833 0.005 . 2 . . . . A 47 VAL HG13 . 36027 1 474 . 1 1 47 47 VAL CA C 13 60.370 0.002 . 1 . . . . A 47 VAL CA . 36027 1 475 . 1 1 47 47 VAL CB C 13 35.892 0.022 . 1 . . . . A 47 VAL CB . 36027 1 476 . 1 1 47 47 VAL CG1 C 13 21.396 0.091 . 2 . . . . A 47 VAL CG1 . 36027 1 477 . 1 1 47 47 VAL N N 15 127.288 0.051 . 1 . . . . A 47 VAL N . 36027 1 478 . 1 1 48 48 GLN H H 1 8.778 0.001 . 1 . . . . A 48 GLN H . 36027 1 479 . 1 1 48 48 GLN HA H 1 4.722 0.003 . 1 . . . . A 48 GLN HA . 36027 1 480 . 1 1 48 48 GLN HB2 H 1 2.021 0.000 . 2 . . . . A 48 GLN HB2 . 36027 1 481 . 1 1 48 48 GLN HB3 H 1 1.539 0.005 . 2 . . . . A 48 GLN HB3 . 36027 1 482 . 1 1 48 48 GLN HG2 H 1 1.938 0.004 . 2 . . . . A 48 GLN HG2 . 36027 1 483 . 1 1 48 48 GLN HG3 H 1 2.399 0.000 . 2 . . . . A 48 GLN HG3 . 36027 1 484 . 1 1 48 48 GLN HE22 H 1 6.706 0.002 . 2 . . . . A 48 GLN HE22 . 36027 1 485 . 1 1 48 48 GLN CA C 13 54.830 0.011 . 1 . . . . A 48 GLN CA . 36027 1 486 . 1 1 48 48 GLN CB C 13 30.998 0.014 . 1 . . . . A 48 GLN CB . 36027 1 487 . 1 1 48 48 GLN CG C 13 33.791 0.009 . 1 . . . . A 48 GLN CG . 36027 1 488 . 1 1 48 48 GLN N N 15 125.038 0.037 . 1 . . . . A 48 GLN N . 36027 1 489 . 1 1 48 48 GLN NE2 N 15 112.145 0.071 . 1 . . . . A 48 GLN NE2 . 36027 1 490 . 1 1 49 49 LEU H H 1 8.839 0.001 . 1 . . . . A 49 LEU H . 36027 1 491 . 1 1 49 49 LEU HA H 1 4.440 0.000 . 1 . . . . A 49 LEU HA . 36027 1 492 . 1 1 49 49 LEU HB2 H 1 1.564 0.010 . 2 . . . . A 49 LEU HB2 . 36027 1 493 . 1 1 49 49 LEU HB3 H 1 1.901 0.000 . 2 . . . . A 49 LEU HB3 . 36027 1 494 . 1 1 49 49 LEU HG H 1 1.457 0.001 . 1 . . . . A 49 LEU HG . 36027 1 495 . 1 1 49 49 LEU HD11 H 1 0.742 0.001 . 2 . . . . A 49 LEU HD11 . 36027 1 496 . 1 1 49 49 LEU HD12 H 1 0.742 0.001 . 2 . . . . A 49 LEU HD12 . 36027 1 497 . 1 1 49 49 LEU HD13 H 1 0.742 0.001 . 2 . . . . A 49 LEU HD13 . 36027 1 498 . 1 1 49 49 LEU HD21 H 1 0.805 0.008 . 2 . . . . A 49 LEU HD21 . 36027 1 499 . 1 1 49 49 LEU HD22 H 1 0.805 0.008 . 2 . . . . A 49 LEU HD22 . 36027 1 500 . 1 1 49 49 LEU HD23 H 1 0.805 0.008 . 2 . . . . A 49 LEU HD23 . 36027 1 501 . 1 1 49 49 LEU CA C 13 54.202 0.000 . 1 . . . . A 49 LEU CA . 36027 1 502 . 1 1 49 49 LEU CB C 13 42.307 0.008 . 1 . . . . A 49 LEU CB . 36027 1 503 . 1 1 49 49 LEU CG C 13 27.093 0.007 . 1 . . . . A 49 LEU CG . 36027 1 504 . 1 1 49 49 LEU CD1 C 13 21.890 0.065 . 2 . . . . A 49 LEU CD1 . 36027 1 505 . 1 1 49 49 LEU CD2 C 13 25.318 0.057 . 2 . . . . A 49 LEU CD2 . 36027 1 506 . 1 1 49 49 LEU N N 15 128.202 0.051 . 1 . . . . A 49 LEU N . 36027 1 507 . 1 1 50 50 ARG HA H 1 4.021 0.000 . 1 . . . . A 50 ARG HA . 36027 1 508 . 1 1 50 50 ARG CA C 13 58.779 0.000 . 1 . . . . A 50 ARG CA . 36027 1 509 . 1 1 51 51 ASN HA H 1 4.481 0.000 . 1 . . . . A 51 ASN HA . 36027 1 510 . 1 1 51 51 ASN CA C 13 52.768 0.000 . 1 . . . . A 51 ASN CA . 36027 1 511 . 1 1 52 52 GLY H H 1 8.040 0.001 . 1 . . . . A 52 GLY H . 36027 1 512 . 1 1 52 52 GLY HA2 H 1 4.326 0.011 . 2 . . . . A 52 GLY HA2 . 36027 1 513 . 1 1 52 52 GLY HA3 H 1 3.507 0.000 . 2 . . . . A 52 GLY HA3 . 36027 1 514 . 1 1 52 52 GLY CA C 13 45.005 0.028 . 1 . . . . A 52 GLY CA . 36027 1 515 . 1 1 52 52 GLY N N 15 107.808 0.372 . 1 . . . . A 52 GLY N . 36027 1 516 . 1 1 53 53 ASN H H 1 7.992 0.000 . 1 . . . . A 53 ASN H . 36027 1 517 . 1 1 53 53 ASN HA H 1 4.612 0.004 . 1 . . . . A 53 ASN HA . 36027 1 518 . 1 1 53 53 ASN HB2 H 1 2.811 0.014 . 2 . . . . A 53 ASN HB2 . 36027 1 519 . 1 1 53 53 ASN HB3 H 1 2.732 0.000 . 2 . . . . A 53 ASN HB3 . 36027 1 520 . 1 1 53 53 ASN HD21 H 1 6.940 0.000 . 2 . . . . A 53 ASN HD21 . 36027 1 521 . 1 1 53 53 ASN CA C 13 52.960 0.000 . 1 . . . . A 53 ASN CA . 36027 1 522 . 1 1 53 53 ASN CB C 13 38.961 0.018 . 1 . . . . A 53 ASN CB . 36027 1 523 . 1 1 53 53 ASN N N 15 119.979 0.044 . 1 . . . . A 53 ASN N . 36027 1 524 . 1 1 53 53 ASN ND2 N 15 111.273 0.000 . 1 . . . . A 53 ASN ND2 . 36027 1 525 . 1 1 54 54 LEU H H 1 8.245 0.001 . 1 . . . . A 54 LEU H . 36027 1 526 . 1 1 54 54 LEU HA H 1 4.984 0.002 . 1 . . . . A 54 LEU HA . 36027 1 527 . 1 1 54 54 LEU HB2 H 1 1.461 0.002 . 2 . . . . A 54 LEU HB2 . 36027 1 528 . 1 1 54 54 LEU HB3 H 1 0.685 0.001 . 2 . . . . A 54 LEU HB3 . 36027 1 529 . 1 1 54 54 LEU HG H 1 1.631 0.000 . 1 . . . . A 54 LEU HG . 36027 1 530 . 1 1 54 54 LEU HD11 H 1 0.803 0.020 . 2 . . . . A 54 LEU HD11 . 36027 1 531 . 1 1 54 54 LEU HD12 H 1 0.803 0.020 . 2 . . . . A 54 LEU HD12 . 36027 1 532 . 1 1 54 54 LEU HD13 H 1 0.803 0.020 . 2 . . . . A 54 LEU HD13 . 36027 1 533 . 1 1 54 54 LEU HD21 H 1 0.536 0.004 . 2 . . . . A 54 LEU HD21 . 36027 1 534 . 1 1 54 54 LEU HD22 H 1 0.536 0.004 . 2 . . . . A 54 LEU HD22 . 36027 1 535 . 1 1 54 54 LEU HD23 H 1 0.536 0.004 . 2 . . . . A 54 LEU HD23 . 36027 1 536 . 1 1 54 54 LEU CA C 13 53.683 0.028 . 1 . . . . A 54 LEU CA . 36027 1 537 . 1 1 54 54 LEU CB C 13 42.674 0.024 . 1 . . . . A 54 LEU CB . 36027 1 538 . 1 1 54 54 LEU CG C 13 26.792 0.000 . 1 . . . . A 54 LEU CG . 36027 1 539 . 1 1 54 54 LEU CD1 C 13 25.341 0.024 . 2 . . . . A 54 LEU CD1 . 36027 1 540 . 1 1 54 54 LEU CD2 C 13 22.687 0.189 . 2 . . . . A 54 LEU CD2 . 36027 1 541 . 1 1 54 54 LEU N N 15 119.385 0.047 . 1 . . . . A 54 LEU N . 36027 1 542 . 1 1 55 55 GLN H H 1 8.809 0.001 . 1 . . . . A 55 GLN H . 36027 1 543 . 1 1 55 55 GLN HA H 1 4.348 0.003 . 1 . . . . A 55 GLN HA . 36027 1 544 . 1 1 55 55 GLN HB3 H 1 1.785 0.001 . 2 . . . . A 55 GLN HB3 . 36027 1 545 . 1 1 55 55 GLN HG3 H 1 2.238 0.001 . 2 . . . . A 55 GLN HG3 . 36027 1 546 . 1 1 55 55 GLN CA C 13 54.229 0.005 . 1 . . . . A 55 GLN CA . 36027 1 547 . 1 1 55 55 GLN CB C 13 32.173 0.016 . 1 . . . . A 55 GLN CB . 36027 1 548 . 1 1 55 55 GLN CG C 13 34.278 0.016 . 1 . . . . A 55 GLN CG . 36027 1 549 . 1 1 55 55 GLN N N 15 122.294 0.045 . 1 . . . . A 55 GLN N . 36027 1 550 . 1 1 56 56 TYR H H 1 8.516 0.005 . 1 . . . . A 56 TYR H . 36027 1 551 . 1 1 56 56 TYR HA H 1 5.729 0.003 . 1 . . . . A 56 TYR HA . 36027 1 552 . 1 1 56 56 TYR HB2 H 1 2.641 0.003 . 2 . . . . A 56 TYR HB2 . 36027 1 553 . 1 1 56 56 TYR HB3 H 1 2.881 0.000 . 2 . . . . A 56 TYR HB3 . 36027 1 554 . 1 1 56 56 TYR HD1 H 1 7.077 0.003 . 3 . . . . A 56 TYR HD1 . 36027 1 555 . 1 1 56 56 TYR HE1 H 1 6.853 0.007 . 3 . . . . A 56 TYR HE1 . 36027 1 556 . 1 1 56 56 TYR CA C 13 56.345 0.015 . 1 . . . . A 56 TYR CA . 36027 1 557 . 1 1 56 56 TYR CB C 13 42.117 0.053 . 1 . . . . A 56 TYR CB . 36027 1 558 . 1 1 56 56 TYR CD1 C 13 133.681 0.025 . 3 . . . . A 56 TYR CD1 . 36027 1 559 . 1 1 56 56 TYR CE1 C 13 118.442 0.066 . 3 . . . . A 56 TYR CE1 . 36027 1 560 . 1 1 56 56 TYR N N 15 122.689 0.098 . 1 . . . . A 56 TYR N . 36027 1 561 . 1 1 57 57 ASP H H 1 9.159 0.004 . 1 . . . . A 57 ASP H . 36027 1 562 . 1 1 57 57 ASP HA H 1 5.482 0.000 . 1 . . . . A 57 ASP HA . 36027 1 563 . 1 1 57 57 ASP HB3 H 1 2.766 0.000 . 2 . . . . A 57 ASP HB3 . 36027 1 564 . 1 1 57 57 ASP CA C 13 54.990 0.045 . 1 . . . . A 57 ASP CA . 36027 1 565 . 1 1 57 57 ASP CB C 13 45.496 0.197 . 1 . . . . A 57 ASP CB . 36027 1 566 . 1 1 57 57 ASP N N 15 123.812 0.062 . 1 . . . . A 57 ASP N . 36027 1 567 . 1 1 58 58 LEU H H 1 9.429 0.002 . 1 . . . . A 58 LEU H . 36027 1 568 . 1 1 58 58 LEU HA H 1 5.572 0.071 . 1 . . . . A 58 LEU HA . 36027 1 569 . 1 1 58 58 LEU HB2 H 1 1.720 0.000 . 2 . . . . A 58 LEU HB2 . 36027 1 570 . 1 1 58 58 LEU HB3 H 1 1.252 0.000 . 2 . . . . A 58 LEU HB3 . 36027 1 571 . 1 1 58 58 LEU HD11 H 1 0.947 0.006 . 2 . . . . A 58 LEU HD11 . 36027 1 572 . 1 1 58 58 LEU HD12 H 1 0.947 0.006 . 2 . . . . A 58 LEU HD12 . 36027 1 573 . 1 1 58 58 LEU HD13 H 1 0.947 0.006 . 2 . . . . A 58 LEU HD13 . 36027 1 574 . 1 1 58 58 LEU HD21 H 1 0.930 0.003 . 2 . . . . A 58 LEU HD21 . 36027 1 575 . 1 1 58 58 LEU HD22 H 1 0.930 0.003 . 2 . . . . A 58 LEU HD22 . 36027 1 576 . 1 1 58 58 LEU HD23 H 1 0.930 0.003 . 2 . . . . A 58 LEU HD23 . 36027 1 577 . 1 1 58 58 LEU CA C 13 53.329 0.020 . 1 . . . . A 58 LEU CA . 36027 1 578 . 1 1 58 58 LEU CB C 13 46.333 0.008 . 1 . . . . A 58 LEU CB . 36027 1 579 . 1 1 58 58 LEU CD1 C 13 25.072 0.030 . 2 . . . . A 58 LEU CD1 . 36027 1 580 . 1 1 58 58 LEU CD2 C 13 27.243 0.058 . 2 . . . . A 58 LEU CD2 . 36027 1 581 . 1 1 58 58 LEU N N 15 127.339 0.066 . 1 . . . . A 58 LEU N . 36027 1 582 . 1 1 59 59 HIS H H 1 10.385 0.002 . 1 . . . . A 59 HIS H . 36027 1 583 . 1 1 59 59 HIS HA H 1 6.128 0.002 . 1 . . . . A 59 HIS HA . 36027 1 584 . 1 1 59 59 HIS HB2 H 1 3.425 0.008 . 2 . . . . A 59 HIS HB2 . 36027 1 585 . 1 1 59 59 HIS HB3 H 1 3.062 0.008 . 2 . . . . A 59 HIS HB3 . 36027 1 586 . 1 1 59 59 HIS HD2 H 1 7.136 0.004 . 1 . . . . A 59 HIS HD2 . 36027 1 587 . 1 1 59 59 HIS HE1 H 1 7.997 0.000 . 1 . . . . A 59 HIS HE1 . 36027 1 588 . 1 1 59 59 HIS CA C 13 52.785 0.045 . 1 . . . . A 59 HIS CA . 36027 1 589 . 1 1 59 59 HIS CB C 13 31.947 0.011 . 1 . . . . A 59 HIS CB . 36027 1 590 . 1 1 59 59 HIS CD2 C 13 129.096 0.022 . 1 . . . . A 59 HIS CD2 . 36027 1 591 . 1 1 59 59 HIS CE1 C 13 136.932 0.000 . 1 . . . . A 59 HIS CE1 . 36027 1 592 . 1 1 59 59 HIS N N 15 124.014 0.085 . 1 . . . . A 59 HIS N . 36027 1 593 . 1 1 60 60 TYR H H 1 8.583 0.002 . 1 . . . . A 60 TYR H . 36027 1 594 . 1 1 60 60 TYR HA H 1 6.027 0.010 . 1 . . . . A 60 TYR HA . 36027 1 595 . 1 1 60 60 TYR HB2 H 1 2.996 0.004 . 2 . . . . A 60 TYR HB2 . 36027 1 596 . 1 1 60 60 TYR HB3 H 1 3.358 0.000 . 2 . . . . A 60 TYR HB3 . 36027 1 597 . 1 1 60 60 TYR HD1 H 1 7.056 0.014 . 3 . . . . A 60 TYR HD1 . 36027 1 598 . 1 1 60 60 TYR HE1 H 1 6.763 0.002 . 3 . . . . A 60 TYR HE1 . 36027 1 599 . 1 1 60 60 TYR CA C 13 55.684 0.026 . 1 . . . . A 60 TYR CA . 36027 1 600 . 1 1 60 60 TYR CB C 13 39.558 0.006 . 1 . . . . A 60 TYR CB . 36027 1 601 . 1 1 60 60 TYR CD1 C 13 133.816 0.189 . 3 . . . . A 60 TYR CD1 . 36027 1 602 . 1 1 60 60 TYR CE1 C 13 116.937 0.023 . 3 . . . . A 60 TYR CE1 . 36027 1 603 . 1 1 60 60 TYR N N 15 119.660 0.035 . 1 . . . . A 60 TYR N . 36027 1 604 . 1 1 61 61 TRP H H 1 9.319 0.002 . 1 . . . . A 61 TRP H . 36027 1 605 . 1 1 61 61 TRP HA H 1 5.389 0.007 . 1 . . . . A 61 TRP HA . 36027 1 606 . 1 1 61 61 TRP HB2 H 1 3.043 0.000 . 2 . . . . A 61 TRP HB2 . 36027 1 607 . 1 1 61 61 TRP HB3 H 1 2.274 0.000 . 2 . . . . A 61 TRP HB3 . 36027 1 608 . 1 1 61 61 TRP HD1 H 1 6.041 0.002 . 1 . . . . A 61 TRP HD1 . 36027 1 609 . 1 1 61 61 TRP HE1 H 1 11.160 0.002 . 1 . . . . A 61 TRP HE1 . 36027 1 610 . 1 1 61 61 TRP HE3 H 1 7.808 0.001 . 1 . . . . A 61 TRP HE3 . 36027 1 611 . 1 1 61 61 TRP HZ2 H 1 7.027 0.000 . 1 . . . . A 61 TRP HZ2 . 36027 1 612 . 1 1 61 61 TRP CA C 13 56.136 0.029 . 1 . . . . A 61 TRP CA . 36027 1 613 . 1 1 61 61 TRP CB C 13 34.280 0.023 . 1 . . . . A 61 TRP CB . 36027 1 614 . 1 1 61 61 TRP CD1 C 13 126.507 0.024 . 1 . . . . A 61 TRP CD1 . 36027 1 615 . 1 1 61 61 TRP CE3 C 13 122.321 0.043 . 1 . . . . A 61 TRP CE3 . 36027 1 616 . 1 1 61 61 TRP CZ2 C 13 112.090 0.000 . 1 . . . . A 61 TRP CZ2 . 36027 1 617 . 1 1 61 61 TRP N N 15 124.681 0.070 . 1 . . . . A 61 TRP N . 36027 1 618 . 1 1 61 61 TRP NE1 N 15 128.953 0.054 . 1 . . . . A 61 TRP NE1 . 36027 1 619 . 1 1 62 62 LEU H H 1 7.679 0.001 . 1 . . . . A 62 LEU H . 36027 1 620 . 1 1 62 62 LEU HA H 1 4.708 0.007 . 1 . . . . A 62 LEU HA . 36027 1 621 . 1 1 62 62 LEU HB2 H 1 1.627 0.000 . 2 . . . . A 62 LEU HB2 . 36027 1 622 . 1 1 62 62 LEU HB3 H 1 1.172 0.000 . 2 . . . . A 62 LEU HB3 . 36027 1 623 . 1 1 62 62 LEU HG H 1 1.687 0.000 . 1 . . . . A 62 LEU HG . 36027 1 624 . 1 1 62 62 LEU HD11 H 1 1.041 0.003 . 2 . . . . A 62 LEU HD11 . 36027 1 625 . 1 1 62 62 LEU HD12 H 1 1.041 0.003 . 2 . . . . A 62 LEU HD12 . 36027 1 626 . 1 1 62 62 LEU HD13 H 1 1.041 0.003 . 2 . . . . A 62 LEU HD13 . 36027 1 627 . 1 1 62 62 LEU HD21 H 1 0.910 0.005 . 2 . . . . A 62 LEU HD21 . 36027 1 628 . 1 1 62 62 LEU HD22 H 1 0.910 0.005 . 2 . . . . A 62 LEU HD22 . 36027 1 629 . 1 1 62 62 LEU HD23 H 1 0.910 0.005 . 2 . . . . A 62 LEU HD23 . 36027 1 630 . 1 1 62 62 LEU CA C 13 52.474 0.002 . 1 . . . . A 62 LEU CA . 36027 1 631 . 1 1 62 62 LEU CB C 13 43.392 0.076 . 1 . . . . A 62 LEU CB . 36027 1 632 . 1 1 62 62 LEU CG C 13 26.260 0.000 . 1 . . . . A 62 LEU CG . 36027 1 633 . 1 1 62 62 LEU CD1 C 13 24.544 0.016 . 2 . . . . A 62 LEU CD1 . 36027 1 634 . 1 1 62 62 LEU CD2 C 13 25.724 0.002 . 2 . . . . A 62 LEU CD2 . 36027 1 635 . 1 1 62 62 LEU N N 15 125.047 0.042 . 1 . . . . A 62 LEU N . 36027 1 636 . 1 1 63 63 GLY H H 1 7.873 0.003 . 1 . . . . A 63 GLY H . 36027 1 637 . 1 1 63 63 GLY HA2 H 1 4.054 0.004 . 2 . . . . A 63 GLY HA2 . 36027 1 638 . 1 1 63 63 GLY HA3 H 1 3.581 0.004 . 2 . . . . A 63 GLY HA3 . 36027 1 639 . 1 1 63 63 GLY CA C 13 46.462 0.059 . 1 . . . . A 63 GLY CA . 36027 1 640 . 1 1 63 63 GLY N N 15 113.946 0.091 . 1 . . . . A 63 GLY N . 36027 1 641 . 1 1 64 64 ASN H H 1 8.939 0.002 . 1 . . . . A 64 ASN H . 36027 1 642 . 1 1 64 64 ASN HA H 1 4.324 0.008 . 1 . . . . A 64 ASN HA . 36027 1 643 . 1 1 64 64 ASN HB3 H 1 2.633 0.001 . 2 . . . . A 64 ASN HB3 . 36027 1 644 . 1 1 64 64 ASN HD21 H 1 7.473 0.000 . 2 . . . . A 64 ASN HD21 . 36027 1 645 . 1 1 64 64 ASN HD22 H 1 6.677 0.000 . 2 . . . . A 64 ASN HD22 . 36027 1 646 . 1 1 64 64 ASN CA C 13 55.180 0.013 . 1 . . . . A 64 ASN CA . 36027 1 647 . 1 1 64 64 ASN CB C 13 38.489 0.057 . 1 . . . . A 64 ASN CB . 36027 1 648 . 1 1 64 64 ASN N N 15 120.841 0.043 . 1 . . . . A 64 ASN N . 36027 1 649 . 1 1 64 64 ASN ND2 N 15 110.027 0.001 . 1 . . . . A 64 ASN ND2 . 36027 1 650 . 1 1 65 65 GLU H H 1 8.294 0.002 . 1 . . . . A 65 GLU H . 36027 1 651 . 1 1 65 65 GLU HA H 1 4.557 0.010 . 1 . . . . A 65 GLU HA . 36027 1 652 . 1 1 65 65 GLU HB2 H 1 1.508 0.006 . 2 . . . . A 65 GLU HB2 . 36027 1 653 . 1 1 65 65 GLU HB3 H 1 2.333 0.000 . 2 . . . . A 65 GLU HB3 . 36027 1 654 . 1 1 65 65 GLU HG3 H 1 2.122 0.003 . 2 . . . . A 65 GLU HG3 . 36027 1 655 . 1 1 65 65 GLU CA C 13 55.144 0.002 . 1 . . . . A 65 GLU CA . 36027 1 656 . 1 1 65 65 GLU CB C 13 29.834 0.035 . 1 . . . . A 65 GLU CB . 36027 1 657 . 1 1 65 65 GLU CG C 13 37.090 0.010 . 1 . . . . A 65 GLU CG . 36027 1 658 . 1 1 65 65 GLU N N 15 115.820 0.056 . 1 . . . . A 65 GLU N . 36027 1 659 . 1 1 66 66 CYS H H 1 7.432 0.002 . 1 . . . . A 66 CYS H . 36027 1 660 . 1 1 66 66 CYS HA H 1 4.469 0.001 . 1 . . . . A 66 CYS HA . 36027 1 661 . 1 1 66 66 CYS HB3 H 1 2.803 0.003 . 2 . . . . A 66 CYS HB3 . 36027 1 662 . 1 1 66 66 CYS CA C 13 59.343 0.002 . 1 . . . . A 66 CYS CA . 36027 1 663 . 1 1 66 66 CYS CB C 13 27.700 0.023 . 1 . . . . A 66 CYS CB . 36027 1 664 . 1 1 66 66 CYS N N 15 121.621 0.038 . 1 . . . . A 66 CYS N . 36027 1 665 . 1 1 67 67 SER H H 1 9.278 0.001 . 1 . . . . A 67 SER H . 36027 1 666 . 1 1 67 67 SER HA H 1 4.616 0.000 . 1 . . . . A 67 SER HA . 36027 1 667 . 1 1 67 67 SER HB2 H 1 4.339 0.000 . 2 . . . . A 67 SER HB2 . 36027 1 668 . 1 1 67 67 SER HB3 H 1 4.134 0.000 . 2 . . . . A 67 SER HB3 . 36027 1 669 . 1 1 67 67 SER CA C 13 58.175 0.000 . 1 . . . . A 67 SER CA . 36027 1 670 . 1 1 67 67 SER CB C 13 65.246 0.009 . 1 . . . . A 67 SER CB . 36027 1 671 . 1 1 67 67 SER N N 15 123.816 0.038 . 1 . . . . A 67 SER N . 36027 1 672 . 1 1 68 68 GLN HA H 1 4.168 0.000 . 1 . . . . A 68 GLN HA . 36027 1 673 . 1 1 68 68 GLN HB3 H 1 2.103 0.000 . 2 . . . . A 68 GLN HB3 . 36027 1 674 . 1 1 68 68 GLN HG2 H 1 2.459 0.000 . 2 . . . . A 68 GLN HG2 . 36027 1 675 . 1 1 68 68 GLN HG3 H 1 2.434 0.000 . 2 . . . . A 68 GLN HG3 . 36027 1 676 . 1 1 68 68 GLN CA C 13 58.685 0.000 . 1 . . . . A 68 GLN CA . 36027 1 677 . 1 1 68 68 GLN CB C 13 28.487 0.000 . 1 . . . . A 68 GLN CB . 36027 1 678 . 1 1 68 68 GLN CG C 13 34.020 0.059 . 1 . . . . A 68 GLN CG . 36027 1 679 . 1 1 69 69 ASP H H 1 8.489 0.004 . 1 . . . . A 69 ASP H . 36027 1 680 . 1 1 69 69 ASP HA H 1 4.400 0.004 . 1 . . . . A 69 ASP HA . 36027 1 681 . 1 1 69 69 ASP HB3 H 1 2.575 0.002 . 2 . . . . A 69 ASP HB3 . 36027 1 682 . 1 1 69 69 ASP CA C 13 57.314 0.015 . 1 . . . . A 69 ASP CA . 36027 1 683 . 1 1 69 69 ASP CB C 13 40.163 0.043 . 1 . . . . A 69 ASP CB . 36027 1 684 . 1 1 69 69 ASP N N 15 120.174 0.063 . 1 . . . . A 69 ASP N . 36027 1 685 . 1 1 70 70 GLU H H 1 7.896 0.002 . 1 . . . . A 70 GLU H . 36027 1 686 . 1 1 70 70 GLU HA H 1 4.051 0.017 . 1 . . . . A 70 GLU HA . 36027 1 687 . 1 1 70 70 GLU HB2 H 1 2.254 0.003 . 2 . . . . A 70 GLU HB2 . 36027 1 688 . 1 1 70 70 GLU HB3 H 1 2.012 0.004 . 2 . . . . A 70 GLU HB3 . 36027 1 689 . 1 1 70 70 GLU HG2 H 1 2.186 0.007 . 2 . . . . A 70 GLU HG2 . 36027 1 690 . 1 1 70 70 GLU HG3 H 1 2.633 0.006 . 2 . . . . A 70 GLU HG3 . 36027 1 691 . 1 1 70 70 GLU CA C 13 60.529 0.240 . 1 . . . . A 70 GLU CA . 36027 1 692 . 1 1 70 70 GLU CB C 13 29.531 0.024 . 1 . . . . A 70 GLU CB . 36027 1 693 . 1 1 70 70 GLU CG C 13 38.686 0.014 . 1 . . . . A 70 GLU CG . 36027 1 694 . 1 1 70 70 GLU N N 15 120.894 0.048 . 1 . . . . A 70 GLU N . 36027 1 695 . 1 1 71 71 SER H H 1 8.406 0.004 . 1 . . . . A 71 SER H . 36027 1 696 . 1 1 71 71 SER HA H 1 4.078 0.004 . 1 . . . . A 71 SER HA . 36027 1 697 . 1 1 71 71 SER HB2 H 1 3.942 0.007 . 2 . . . . A 71 SER HB2 . 36027 1 698 . 1 1 71 71 SER CA C 13 60.943 0.041 . 1 . . . . A 71 SER CA . 36027 1 699 . 1 1 71 71 SER CB C 13 62.744 0.010 . 1 . . . . A 71 SER CB . 36027 1 700 . 1 1 71 71 SER N N 15 115.527 0.040 . 1 . . . . A 71 SER N . 36027 1 701 . 1 1 72 72 GLY H H 1 8.292 0.001 . 1 . . . . A 72 GLY H . 36027 1 702 . 1 1 72 72 GLY HA2 H 1 3.882 0.000 . 2 . . . . A 72 GLY HA2 . 36027 1 703 . 1 1 72 72 GLY HA3 H 1 3.870 0.013 . 2 . . . . A 72 GLY HA3 . 36027 1 704 . 1 1 72 72 GLY CA C 13 46.810 0.078 . 1 . . . . A 72 GLY CA . 36027 1 705 . 1 1 72 72 GLY N N 15 110.694 0.075 . 1 . . . . A 72 GLY N . 36027 1 706 . 1 1 73 73 ALA H H 1 7.633 0.001 . 1 . . . . A 73 ALA H . 36027 1 707 . 1 1 73 73 ALA HA H 1 3.925 0.000 . 1 . . . . A 73 ALA HA . 36027 1 708 . 1 1 73 73 ALA HB1 H 1 1.331 0.005 . 1 . . . . A 73 ALA HB1 . 36027 1 709 . 1 1 73 73 ALA HB2 H 1 1.331 0.005 . 1 . . . . A 73 ALA HB2 . 36027 1 710 . 1 1 73 73 ALA HB3 H 1 1.331 0.005 . 1 . . . . A 73 ALA HB3 . 36027 1 711 . 1 1 73 73 ALA CA C 13 54.765 0.084 . 1 . . . . A 73 ALA CA . 36027 1 712 . 1 1 73 73 ALA CB C 13 18.355 0.092 . 1 . . . . A 73 ALA CB . 36027 1 713 . 1 1 73 73 ALA N N 15 123.542 0.051 . 1 . . . . A 73 ALA N . 36027 1 714 . 1 1 74 74 ALA H H 1 8.148 0.002 . 1 . . . . A 74 ALA H . 36027 1 715 . 1 1 74 74 ALA HA H 1 3.846 0.004 . 1 . . . . A 74 ALA HA . 36027 1 716 . 1 1 74 74 ALA HB1 H 1 1.475 0.005 . 1 . . . . A 74 ALA HB1 . 36027 1 717 . 1 1 74 74 ALA HB2 H 1 1.475 0.005 . 1 . . . . A 74 ALA HB2 . 36027 1 718 . 1 1 74 74 ALA HB3 H 1 1.475 0.005 . 1 . . . . A 74 ALA HB3 . 36027 1 719 . 1 1 74 74 ALA CA C 13 55.598 0.056 . 1 . . . . A 74 ALA CA . 36027 1 720 . 1 1 74 74 ALA CB C 13 18.430 0.037 . 1 . . . . A 74 ALA CB . 36027 1 721 . 1 1 74 74 ALA N N 15 119.844 0.081 . 1 . . . . A 74 ALA N . 36027 1 722 . 1 1 75 75 ALA H H 1 7.281 0.002 . 1 . . . . A 75 ALA H . 36027 1 723 . 1 1 75 75 ALA HA H 1 3.103 0.003 . 1 . . . . A 75 ALA HA . 36027 1 724 . 1 1 75 75 ALA HB1 H 1 1.240 0.003 . 1 . . . . A 75 ALA HB1 . 36027 1 725 . 1 1 75 75 ALA HB2 H 1 1.240 0.003 . 1 . . . . A 75 ALA HB2 . 36027 1 726 . 1 1 75 75 ALA HB3 H 1 1.240 0.003 . 1 . . . . A 75 ALA HB3 . 36027 1 727 . 1 1 75 75 ALA CA C 13 55.118 0.009 . 1 . . . . A 75 ALA CA . 36027 1 728 . 1 1 75 75 ALA CB C 13 17.870 0.018 . 1 . . . . A 75 ALA CB . 36027 1 729 . 1 1 75 75 ALA N N 15 120.572 0.053 . 1 . . . . A 75 ALA N . 36027 1 730 . 1 1 76 76 ILE H H 1 7.619 0.001 . 1 . . . . A 76 ILE H . 36027 1 731 . 1 1 76 76 ILE HA H 1 3.670 0.007 . 1 . . . . A 76 ILE HA . 36027 1 732 . 1 1 76 76 ILE HB H 1 1.683 0.001 . 1 . . . . A 76 ILE HB . 36027 1 733 . 1 1 76 76 ILE HG13 H 1 1.080 0.000 . 2 . . . . A 76 ILE HG13 . 36027 1 734 . 1 1 76 76 ILE HG21 H 1 0.643 0.004 . 1 . . . . A 76 ILE HG21 . 36027 1 735 . 1 1 76 76 ILE HG22 H 1 0.643 0.004 . 1 . . . . A 76 ILE HG22 . 36027 1 736 . 1 1 76 76 ILE HG23 H 1 0.643 0.004 . 1 . . . . A 76 ILE HG23 . 36027 1 737 . 1 1 76 76 ILE HD11 H 1 0.683 0.005 . 1 . . . . A 76 ILE HD11 . 36027 1 738 . 1 1 76 76 ILE HD12 H 1 0.683 0.005 . 1 . . . . A 76 ILE HD12 . 36027 1 739 . 1 1 76 76 ILE HD13 H 1 0.683 0.005 . 1 . . . . A 76 ILE HD13 . 36027 1 740 . 1 1 76 76 ILE CA C 13 64.368 0.038 . 1 . . . . A 76 ILE CA . 36027 1 741 . 1 1 76 76 ILE CB C 13 37.441 0.008 . 1 . . . . A 76 ILE CB . 36027 1 742 . 1 1 76 76 ILE CG1 C 13 29.146 0.000 . 1 . . . . A 76 ILE CG1 . 36027 1 743 . 1 1 76 76 ILE CG2 C 13 17.069 0.024 . 1 . . . . A 76 ILE CG2 . 36027 1 744 . 1 1 76 76 ILE CD1 C 13 12.302 0.202 . 1 . . . . A 76 ILE CD1 . 36027 1 745 . 1 1 76 76 ILE N N 15 119.718 0.036 . 1 . . . . A 76 ILE N . 36027 1 746 . 1 1 77 77 PHE H H 1 8.647 0.002 . 1 . . . . A 77 PHE H . 36027 1 747 . 1 1 77 77 PHE HA H 1 4.400 0.012 . 1 . . . . A 77 PHE HA . 36027 1 748 . 1 1 77 77 PHE HB3 H 1 2.851 0.006 . 2 . . . . A 77 PHE HB3 . 36027 1 749 . 1 1 77 77 PHE HD1 H 1 7.020 0.000 . 3 . . . . A 77 PHE HD1 . 36027 1 750 . 1 1 77 77 PHE CA C 13 61.987 0.069 . 1 . . . . A 77 PHE CA . 36027 1 751 . 1 1 77 77 PHE CB C 13 39.139 0.130 . 1 . . . . A 77 PHE CB . 36027 1 752 . 1 1 77 77 PHE CD1 C 13 131.151 0.000 . 3 . . . . A 77 PHE CD1 . 36027 1 753 . 1 1 77 77 PHE N N 15 118.957 0.064 . 1 . . . . A 77 PHE N . 36027 1 754 . 1 1 78 78 THR H H 1 7.738 0.002 . 1 . . . . A 78 THR H . 36027 1 755 . 1 1 78 78 THR HA H 1 3.692 0.004 . 1 . . . . A 78 THR HA . 36027 1 756 . 1 1 78 78 THR HB H 1 4.153 0.000 . 1 . . . . A 78 THR HB . 36027 1 757 . 1 1 78 78 THR HG21 H 1 1.239 0.006 . 1 . . . . A 78 THR HG21 . 36027 1 758 . 1 1 78 78 THR HG22 H 1 1.239 0.006 . 1 . . . . A 78 THR HG22 . 36027 1 759 . 1 1 78 78 THR HG23 H 1 1.239 0.006 . 1 . . . . A 78 THR HG23 . 36027 1 760 . 1 1 78 78 THR CA C 13 68.451 0.080 . 1 . . . . A 78 THR CA . 36027 1 761 . 1 1 78 78 THR CB C 13 67.999 0.000 . 1 . . . . A 78 THR CB . 36027 1 762 . 1 1 78 78 THR CG2 C 13 21.853 0.028 . 1 . . . . A 78 THR CG2 . 36027 1 763 . 1 1 78 78 THR N N 15 114.269 0.072 . 1 . . . . A 78 THR N . 36027 1 764 . 1 1 79 79 VAL H H 1 7.348 0.002 . 1 . . . . A 79 VAL H . 36027 1 765 . 1 1 79 79 VAL HA H 1 3.592 0.005 . 1 . . . . A 79 VAL HA . 36027 1 766 . 1 1 79 79 VAL HB H 1 2.173 0.003 . 1 . . . . A 79 VAL HB . 36027 1 767 . 1 1 79 79 VAL HG11 H 1 0.941 0.002 . 2 . . . . A 79 VAL HG11 . 36027 1 768 . 1 1 79 79 VAL HG12 H 1 0.941 0.002 . 2 . . . . A 79 VAL HG12 . 36027 1 769 . 1 1 79 79 VAL HG13 H 1 0.941 0.002 . 2 . . . . A 79 VAL HG13 . 36027 1 770 . 1 1 79 79 VAL HG21 H 1 1.056 0.008 . 2 . . . . A 79 VAL HG21 . 36027 1 771 . 1 1 79 79 VAL HG22 H 1 1.056 0.008 . 2 . . . . A 79 VAL HG22 . 36027 1 772 . 1 1 79 79 VAL HG23 H 1 1.056 0.008 . 2 . . . . A 79 VAL HG23 . 36027 1 773 . 1 1 79 79 VAL CA C 13 66.492 0.010 . 1 . . . . A 79 VAL CA . 36027 1 774 . 1 1 79 79 VAL CB C 13 31.723 0.010 . 1 . . . . A 79 VAL CB . 36027 1 775 . 1 1 79 79 VAL CG1 C 13 21.225 0.014 . 2 . . . . A 79 VAL CG1 . 36027 1 776 . 1 1 79 79 VAL CG2 C 13 22.831 0.089 . 2 . . . . A 79 VAL CG2 . 36027 1 777 . 1 1 79 79 VAL N N 15 121.866 0.050 . 1 . . . . A 79 VAL N . 36027 1 778 . 1 1 80 80 GLN H H 1 8.373 0.001 . 1 . . . . A 80 GLN H . 36027 1 779 . 1 1 80 80 GLN HA H 1 4.099 0.005 . 1 . . . . A 80 GLN HA . 36027 1 780 . 1 1 80 80 GLN HB2 H 1 2.415 0.004 . 2 . . . . A 80 GLN HB2 . 36027 1 781 . 1 1 80 80 GLN HB3 H 1 2.188 0.013 . 2 . . . . A 80 GLN HB3 . 36027 1 782 . 1 1 80 80 GLN HG2 H 1 2.649 0.000 . 2 . . . . A 80 GLN HG2 . 36027 1 783 . 1 1 80 80 GLN HG3 H 1 2.408 0.000 . 2 . . . . A 80 GLN HG3 . 36027 1 784 . 1 1 80 80 GLN HE22 H 1 7.062 0.000 . 2 . . . . A 80 GLN HE22 . 36027 1 785 . 1 1 80 80 GLN CA C 13 58.992 0.081 . 1 . . . . A 80 GLN CA . 36027 1 786 . 1 1 80 80 GLN CB C 13 28.374 0.060 . 1 . . . . A 80 GLN CB . 36027 1 787 . 1 1 80 80 GLN CG C 13 34.326 0.009 . 1 . . . . A 80 GLN CG . 36027 1 788 . 1 1 80 80 GLN N N 15 118.787 0.035 . 1 . . . . A 80 GLN N . 36027 1 789 . 1 1 80 80 GLN NE2 N 15 108.719 0.057 . 1 . . . . A 80 GLN NE2 . 36027 1 790 . 1 1 81 81 LEU H H 1 8.693 0.002 . 1 . . . . A 81 LEU H . 36027 1 791 . 1 1 81 81 LEU HA H 1 3.278 0.002 . 1 . . . . A 81 LEU HA . 36027 1 792 . 1 1 81 81 LEU HB2 H 1 1.348 0.000 . 2 . . . . A 81 LEU HB2 . 36027 1 793 . 1 1 81 81 LEU HB3 H 1 1.103 0.009 . 2 . . . . A 81 LEU HB3 . 36027 1 794 . 1 1 81 81 LEU HG H 1 0.944 0.000 . 1 . . . . A 81 LEU HG . 36027 1 795 . 1 1 81 81 LEU HD11 H 1 0.090 0.006 . 2 . . . . A 81 LEU HD11 . 36027 1 796 . 1 1 81 81 LEU HD12 H 1 0.090 0.006 . 2 . . . . A 81 LEU HD12 . 36027 1 797 . 1 1 81 81 LEU HD13 H 1 0.090 0.006 . 2 . . . . A 81 LEU HD13 . 36027 1 798 . 1 1 81 81 LEU HD21 H 1 0.208 0.002 . 2 . . . . A 81 LEU HD21 . 36027 1 799 . 1 1 81 81 LEU HD22 H 1 0.208 0.002 . 2 . . . . A 81 LEU HD22 . 36027 1 800 . 1 1 81 81 LEU HD23 H 1 0.208 0.002 . 2 . . . . A 81 LEU HD23 . 36027 1 801 . 1 1 81 81 LEU CA C 13 57.534 0.003 . 1 . . . . A 81 LEU CA . 36027 1 802 . 1 1 81 81 LEU CB C 13 40.849 0.056 . 1 . . . . A 81 LEU CB . 36027 1 803 . 1 1 81 81 LEU CG C 13 27.222 0.000 . 1 . . . . A 81 LEU CG . 36027 1 804 . 1 1 81 81 LEU CD1 C 13 22.813 0.032 . 2 . . . . A 81 LEU CD1 . 36027 1 805 . 1 1 81 81 LEU CD2 C 13 24.989 0.029 . 2 . . . . A 81 LEU CD2 . 36027 1 806 . 1 1 81 81 LEU N N 15 123.742 0.075 . 1 . . . . A 81 LEU N . 36027 1 807 . 1 1 82 82 ASP H H 1 7.893 0.008 . 1 . . . . A 82 ASP H . 36027 1 808 . 1 1 82 82 ASP HA H 1 4.032 0.001 . 1 . . . . A 82 ASP HA . 36027 1 809 . 1 1 82 82 ASP HB2 H 1 2.791 0.003 . 2 . . . . A 82 ASP HB2 . 36027 1 810 . 1 1 82 82 ASP HB3 H 1 2.455 0.005 . 2 . . . . A 82 ASP HB3 . 36027 1 811 . 1 1 82 82 ASP CA C 13 57.772 0.034 . 1 . . . . A 82 ASP CA . 36027 1 812 . 1 1 82 82 ASP CB C 13 41.977 0.010 . 1 . . . . A 82 ASP CB . 36027 1 813 . 1 1 82 82 ASP N N 15 119.582 0.068 . 1 . . . . A 82 ASP N . 36027 1 814 . 1 1 83 83 ASP H H 1 8.147 0.001 . 1 . . . . A 83 ASP H . 36027 1 815 . 1 1 83 83 ASP HA H 1 4.260 0.007 . 1 . . . . A 83 ASP HA . 36027 1 816 . 1 1 83 83 ASP HB3 H 1 2.740 0.010 . 2 . . . . A 83 ASP HB3 . 36027 1 817 . 1 1 83 83 ASP CA C 13 57.592 0.016 . 1 . . . . A 83 ASP CA . 36027 1 818 . 1 1 83 83 ASP CB C 13 40.773 0.010 . 1 . . . . A 83 ASP CB . 36027 1 819 . 1 1 83 83 ASP N N 15 118.510 0.062 . 1 . . . . A 83 ASP N . 36027 1 820 . 1 1 84 84 TYR H H 1 8.101 0.002 . 1 . . . . A 84 TYR H . 36027 1 821 . 1 1 84 84 TYR HA H 1 4.098 0.006 . 1 . . . . A 84 TYR HA . 36027 1 822 . 1 1 84 84 TYR HB2 H 1 2.985 0.003 . 2 . . . . A 84 TYR HB2 . 36027 1 823 . 1 1 84 84 TYR HB3 H 1 3.183 0.001 . 2 . . . . A 84 TYR HB3 . 36027 1 824 . 1 1 84 84 TYR HD1 H 1 6.964 0.009 . 3 . . . . A 84 TYR HD1 . 36027 1 825 . 1 1 84 84 TYR HE1 H 1 6.827 0.017 . 3 . . . . A 84 TYR HE1 . 36027 1 826 . 1 1 84 84 TYR CA C 13 61.507 0.035 . 1 . . . . A 84 TYR CA . 36027 1 827 . 1 1 84 84 TYR CB C 13 38.781 0.027 . 1 . . . . A 84 TYR CB . 36027 1 828 . 1 1 84 84 TYR CD1 C 13 132.730 0.015 . 3 . . . . A 84 TYR CD1 . 36027 1 829 . 1 1 84 84 TYR CE1 C 13 118.651 0.068 . 3 . . . . A 84 TYR CE1 . 36027 1 830 . 1 1 84 84 TYR N N 15 122.845 0.061 . 1 . . . . A 84 TYR N . 36027 1 831 . 1 1 85 85 LEU H H 1 7.871 0.005 . 1 . . . . A 85 LEU H . 36027 1 832 . 1 1 85 85 LEU HA H 1 4.031 0.003 . 1 . . . . A 85 LEU HA . 36027 1 833 . 1 1 85 85 LEU HB2 H 1 1.334 0.000 . 2 . . . . A 85 LEU HB2 . 36027 1 834 . 1 1 85 85 LEU HG H 1 1.663 0.000 . 1 . . . . A 85 LEU HG . 36027 1 835 . 1 1 85 85 LEU HD11 H 1 0.374 0.001 . 2 . . . . A 85 LEU HD11 . 36027 1 836 . 1 1 85 85 LEU HD12 H 1 0.374 0.001 . 2 . . . . A 85 LEU HD12 . 36027 1 837 . 1 1 85 85 LEU HD13 H 1 0.374 0.001 . 2 . . . . A 85 LEU HD13 . 36027 1 838 . 1 1 85 85 LEU HD21 H 1 0.050 0.010 . 2 . . . . A 85 LEU HD21 . 36027 1 839 . 1 1 85 85 LEU HD22 H 1 0.050 0.010 . 2 . . . . A 85 LEU HD22 . 36027 1 840 . 1 1 85 85 LEU HD23 H 1 0.050 0.010 . 2 . . . . A 85 LEU HD23 . 36027 1 841 . 1 1 85 85 LEU CA C 13 54.636 0.055 . 1 . . . . A 85 LEU CA . 36027 1 842 . 1 1 85 85 LEU CB C 13 40.075 0.000 . 1 . . . . A 85 LEU CB . 36027 1 843 . 1 1 85 85 LEU CG C 13 25.911 0.000 . 1 . . . . A 85 LEU CG . 36027 1 844 . 1 1 85 85 LEU CD1 C 13 21.181 0.109 . 2 . . . . A 85 LEU CD1 . 36027 1 845 . 1 1 85 85 LEU CD2 C 13 25.414 0.063 . 2 . . . . A 85 LEU CD2 . 36027 1 846 . 1 1 85 85 LEU N N 15 119.246 0.111 . 1 . . . . A 85 LEU N . 36027 1 847 . 1 1 86 86 ASN H H 1 8.021 0.001 . 1 . . . . A 86 ASN H . 36027 1 848 . 1 1 86 86 ASN HA H 1 4.437 0.000 . 1 . . . . A 86 ASN HA . 36027 1 849 . 1 1 86 86 ASN HB2 H 1 3.058 0.000 . 2 . . . . A 86 ASN HB2 . 36027 1 850 . 1 1 86 86 ASN HB3 H 1 2.723 0.000 . 2 . . . . A 86 ASN HB3 . 36027 1 851 . 1 1 86 86 ASN HD22 H 1 6.803 0.000 . 2 . . . . A 86 ASN HD22 . 36027 1 852 . 1 1 86 86 ASN CA C 13 54.267 0.002 . 1 . . . . A 86 ASN CA . 36027 1 853 . 1 1 86 86 ASN CB C 13 37.505 0.013 . 1 . . . . A 86 ASN CB . 36027 1 854 . 1 1 86 86 ASN N N 15 116.104 0.044 . 1 . . . . A 86 ASN N . 36027 1 855 . 1 1 86 86 ASN ND2 N 15 112.416 0.000 . 1 . . . . A 86 ASN ND2 . 36027 1 856 . 1 1 87 87 GLY H H 1 8.777 0.000 . 1 . . . . A 87 GLY H . 36027 1 857 . 1 1 87 87 GLY HA2 H 1 3.848 0.002 . 2 . . . . A 87 GLY HA2 . 36027 1 858 . 1 1 87 87 GLY HA3 H 1 4.078 0.003 . 2 . . . . A 87 GLY HA3 . 36027 1 859 . 1 1 87 87 GLY CA C 13 46.361 0.014 . 1 . . . . A 87 GLY CA . 36027 1 860 . 1 1 87 87 GLY N N 15 107.404 0.068 . 1 . . . . A 87 GLY N . 36027 1 861 . 1 1 88 88 ARG H H 1 7.386 0.002 . 1 . . . . A 88 ARG H . 36027 1 862 . 1 1 88 88 ARG HA H 1 4.380 0.001 . 1 . . . . A 88 ARG HA . 36027 1 863 . 1 1 88 88 ARG HB2 H 1 1.845 0.003 . 2 . . . . A 88 ARG HB2 . 36027 1 864 . 1 1 88 88 ARG HB3 H 1 2.277 0.000 . 2 . . . . A 88 ARG HB3 . 36027 1 865 . 1 1 88 88 ARG HG3 H 1 1.756 0.016 . 2 . . . . A 88 ARG HG3 . 36027 1 866 . 1 1 88 88 ARG CA C 13 56.102 0.004 . 1 . . . . A 88 ARG CA . 36027 1 867 . 1 1 88 88 ARG CB C 13 31.271 0.018 . 1 . . . . A 88 ARG CB . 36027 1 868 . 1 1 88 88 ARG CG C 13 27.635 0.014 . 1 . . . . A 88 ARG CG . 36027 1 869 . 1 1 88 88 ARG N N 15 116.724 0.060 . 1 . . . . A 88 ARG N . 36027 1 870 . 1 1 89 89 ALA H H 1 8.844 0.002 . 1 . . . . A 89 ALA H . 36027 1 871 . 1 1 89 89 ALA HA H 1 4.931 0.001 . 1 . . . . A 89 ALA HA . 36027 1 872 . 1 1 89 89 ALA HB1 H 1 1.218 0.006 . 1 . . . . A 89 ALA HB1 . 36027 1 873 . 1 1 89 89 ALA HB2 H 1 1.218 0.006 . 1 . . . . A 89 ALA HB2 . 36027 1 874 . 1 1 89 89 ALA HB3 H 1 1.218 0.006 . 1 . . . . A 89 ALA HB3 . 36027 1 875 . 1 1 89 89 ALA CA C 13 51.548 0.005 . 1 . . . . A 89 ALA CA . 36027 1 876 . 1 1 89 89 ALA CB C 13 20.609 0.019 . 1 . . . . A 89 ALA CB . 36027 1 877 . 1 1 89 89 ALA N N 15 123.779 0.059 . 1 . . . . A 89 ALA N . 36027 1 878 . 1 1 90 90 VAL H H 1 7.906 0.002 . 1 . . . . A 90 VAL H . 36027 1 879 . 1 1 90 90 VAL HA H 1 3.967 0.006 . 1 . . . . A 90 VAL HA . 36027 1 880 . 1 1 90 90 VAL HB H 1 2.201 0.002 . 1 . . . . A 90 VAL HB . 36027 1 881 . 1 1 90 90 VAL HG11 H 1 0.987 0.005 . 2 . . . . A 90 VAL HG11 . 36027 1 882 . 1 1 90 90 VAL HG12 H 1 0.987 0.005 . 2 . . . . A 90 VAL HG12 . 36027 1 883 . 1 1 90 90 VAL HG13 H 1 0.987 0.005 . 2 . . . . A 90 VAL HG13 . 36027 1 884 . 1 1 90 90 VAL HG21 H 1 0.571 0.006 . 2 . . . . A 90 VAL HG21 . 36027 1 885 . 1 1 90 90 VAL HG22 H 1 0.571 0.006 . 2 . . . . A 90 VAL HG22 . 36027 1 886 . 1 1 90 90 VAL HG23 H 1 0.571 0.006 . 2 . . . . A 90 VAL HG23 . 36027 1 887 . 1 1 90 90 VAL CA C 13 62.836 0.011 . 1 . . . . A 90 VAL CA . 36027 1 888 . 1 1 90 90 VAL CB C 13 31.987 0.070 . 1 . . . . A 90 VAL CB . 36027 1 889 . 1 1 90 90 VAL CG1 C 13 21.691 0.099 . 2 . . . . A 90 VAL CG1 . 36027 1 890 . 1 1 90 90 VAL CG2 C 13 21.392 0.037 . 2 . . . . A 90 VAL CG2 . 36027 1 891 . 1 1 90 90 VAL N N 15 123.165 0.062 . 1 . . . . A 90 VAL N . 36027 1 892 . 1 1 91 91 GLN H H 1 8.369 0.003 . 1 . . . . A 91 GLN H . 36027 1 893 . 1 1 91 91 GLN HA H 1 5.141 0.002 . 1 . . . . A 91 GLN HA . 36027 1 894 . 1 1 91 91 GLN HB2 H 1 1.792 0.007 . 2 . . . . A 91 GLN HB2 . 36027 1 895 . 1 1 91 91 GLN HB3 H 1 2.016 0.000 . 2 . . . . A 91 GLN HB3 . 36027 1 896 . 1 1 91 91 GLN HG2 H 1 1.929 0.002 . 2 . . . . A 91 GLN HG2 . 36027 1 897 . 1 1 91 91 GLN HG3 H 1 2.277 0.000 . 2 . . . . A 91 GLN HG3 . 36027 1 898 . 1 1 91 91 GLN HE21 H 1 6.265 0.000 . 2 . . . . A 91 GLN HE21 . 36027 1 899 . 1 1 91 91 GLN CA C 13 55.458 0.018 . 1 . . . . A 91 GLN CA . 36027 1 900 . 1 1 91 91 GLN CB C 13 30.983 0.042 . 1 . . . . A 91 GLN CB . 36027 1 901 . 1 1 91 91 GLN CG C 13 33.831 0.047 . 1 . . . . A 91 GLN CG . 36027 1 902 . 1 1 91 91 GLN N N 15 126.189 0.042 . 1 . . . . A 91 GLN N . 36027 1 903 . 1 1 91 91 GLN NE2 N 15 110.625 0.000 . 1 . . . . A 91 GLN NE2 . 36027 1 904 . 1 1 92 92 HIS H H 1 8.852 0.001 . 1 . . . . A 92 HIS H . 36027 1 905 . 1 1 92 92 HIS HA H 1 4.675 0.001 . 1 . . . . A 92 HIS HA . 36027 1 906 . 1 1 92 92 HIS HB2 H 1 2.560 0.007 . 2 . . . . A 92 HIS HB2 . 36027 1 907 . 1 1 92 92 HIS HB3 H 1 3.032 0.004 . 2 . . . . A 92 HIS HB3 . 36027 1 908 . 1 1 92 92 HIS HD2 H 1 6.136 0.002 . 1 . . . . A 92 HIS HD2 . 36027 1 909 . 1 1 92 92 HIS HE1 H 1 6.598 0.001 . 1 . . . . A 92 HIS HE1 . 36027 1 910 . 1 1 92 92 HIS CA C 13 54.911 0.008 . 1 . . . . A 92 HIS CA . 36027 1 911 . 1 1 92 92 HIS CB C 13 33.964 0.067 . 1 . . . . A 92 HIS CB . 36027 1 912 . 1 1 92 92 HIS CD2 C 13 120.512 0.028 . 1 . . . . A 92 HIS CD2 . 36027 1 913 . 1 1 92 92 HIS CE1 C 13 136.476 0.023 . 1 . . . . A 92 HIS CE1 . 36027 1 914 . 1 1 92 92 HIS N N 15 120.186 0.036 . 1 . . . . A 92 HIS N . 36027 1 915 . 1 1 93 93 ARG H H 1 8.657 0.005 . 1 . . . . A 93 ARG H . 36027 1 916 . 1 1 93 93 ARG HA H 1 3.585 0.003 . 1 . . . . A 93 ARG HA . 36027 1 917 . 1 1 93 93 ARG HB2 H 1 1.379 0.001 . 2 . . . . A 93 ARG HB2 . 36027 1 918 . 1 1 93 93 ARG HB3 H 1 1.563 0.003 . 2 . . . . A 93 ARG HB3 . 36027 1 919 . 1 1 93 93 ARG HG3 H 1 0.886 0.000 . 2 . . . . A 93 ARG HG3 . 36027 1 920 . 1 1 93 93 ARG CA C 13 55.408 0.009 . 1 . . . . A 93 ARG CA . 36027 1 921 . 1 1 93 93 ARG CB C 13 31.113 0.055 . 1 . . . . A 93 ARG CB . 36027 1 922 . 1 1 93 93 ARG CG C 13 27.892 0.000 . 1 . . . . A 93 ARG CG . 36027 1 923 . 1 1 93 93 ARG N N 15 126.357 0.067 . 1 . . . . A 93 ARG N . 36027 1 924 . 1 1 94 94 GLU H H 1 8.792 0.003 . 1 . . . . A 94 GLU H . 36027 1 925 . 1 1 94 94 GLU HA H 1 4.978 0.002 . 1 . . . . A 94 GLU HA . 36027 1 926 . 1 1 94 94 GLU HG2 H 1 2.028 0.000 . 2 . . . . A 94 GLU HG2 . 36027 1 927 . 1 1 94 94 GLU HG3 H 1 1.282 0.000 . 2 . . . . A 94 GLU HG3 . 36027 1 928 . 1 1 94 94 GLU CA C 13 53.043 0.012 . 1 . . . . A 94 GLU CA . 36027 1 929 . 1 1 94 94 GLU CG C 13 33.251 0.095 . 1 . . . . A 94 GLU CG . 36027 1 930 . 1 1 94 94 GLU N N 15 126.828 0.053 . 1 . . . . A 94 GLU N . 36027 1 931 . 1 1 95 95 VAL H H 1 7.727 0.001 . 1 . . . . A 95 VAL H . 36027 1 932 . 1 1 95 95 VAL HA H 1 3.861 0.004 . 1 . . . . A 95 VAL HA . 36027 1 933 . 1 1 95 95 VAL HB H 1 1.775 0.000 . 1 . . . . A 95 VAL HB . 36027 1 934 . 1 1 95 95 VAL HG11 H 1 0.695 0.001 . 2 . . . . A 95 VAL HG11 . 36027 1 935 . 1 1 95 95 VAL HG12 H 1 0.695 0.001 . 2 . . . . A 95 VAL HG12 . 36027 1 936 . 1 1 95 95 VAL HG13 H 1 0.695 0.001 . 2 . . . . A 95 VAL HG13 . 36027 1 937 . 1 1 95 95 VAL HG21 H 1 0.778 0.019 . 2 . . . . A 95 VAL HG21 . 36027 1 938 . 1 1 95 95 VAL HG22 H 1 0.778 0.019 . 2 . . . . A 95 VAL HG22 . 36027 1 939 . 1 1 95 95 VAL HG23 H 1 0.778 0.019 . 2 . . . . A 95 VAL HG23 . 36027 1 940 . 1 1 95 95 VAL CA C 13 60.003 0.016 . 1 . . . . A 95 VAL CA . 36027 1 941 . 1 1 95 95 VAL CB C 13 34.105 0.017 . 1 . . . . A 95 VAL CB . 36027 1 942 . 1 1 95 95 VAL CG1 C 13 21.049 0.035 . 2 . . . . A 95 VAL CG1 . 36027 1 943 . 1 1 95 95 VAL CG2 C 13 21.028 0.004 . 2 . . . . A 95 VAL CG2 . 36027 1 944 . 1 1 95 95 VAL N N 15 120.199 0.050 . 1 . . . . A 95 VAL N . 36027 1 945 . 1 1 96 96 GLN H H 1 6.779 0.003 . 1 . . . . A 96 GLN H . 36027 1 946 . 1 1 96 96 GLN HA H 1 3.782 0.005 . 1 . . . . A 96 GLN HA . 36027 1 947 . 1 1 96 96 GLN HB2 H 1 1.645 0.013 . 2 . . . . A 96 GLN HB2 . 36027 1 948 . 1 1 96 96 GLN HB3 H 1 1.377 0.006 . 2 . . . . A 96 GLN HB3 . 36027 1 949 . 1 1 96 96 GLN HG2 H 1 1.640 0.000 . 2 . . . . A 96 GLN HG2 . 36027 1 950 . 1 1 96 96 GLN HG3 H 1 1.474 0.000 . 2 . . . . A 96 GLN HG3 . 36027 1 951 . 1 1 96 96 GLN HE21 H 1 6.197 0.000 . 2 . . . . A 96 GLN HE21 . 36027 1 952 . 1 1 96 96 GLN CA C 13 57.821 0.019 . 1 . . . . A 96 GLN CA . 36027 1 953 . 1 1 96 96 GLN CB C 13 27.886 0.122 . 1 . . . . A 96 GLN CB . 36027 1 954 . 1 1 96 96 GLN CG C 13 31.361 0.015 . 1 . . . . A 96 GLN CG . 36027 1 955 . 1 1 96 96 GLN N N 15 124.765 0.041 . 1 . . . . A 96 GLN N . 36027 1 956 . 1 1 96 96 GLN NE2 N 15 108.175 0.000 . 1 . . . . A 96 GLN NE2 . 36027 1 957 . 1 1 97 97 GLY H H 1 8.349 0.002 . 1 . . . . A 97 GLY H . 36027 1 958 . 1 1 97 97 GLY HA2 H 1 3.950 0.012 . 2 . . . . A 97 GLY HA2 . 36027 1 959 . 1 1 97 97 GLY HA3 H 1 3.676 0.005 . 2 . . . . A 97 GLY HA3 . 36027 1 960 . 1 1 97 97 GLY CA C 13 45.085 0.023 . 1 . . . . A 97 GLY CA . 36027 1 961 . 1 1 97 97 GLY N N 15 116.690 0.087 . 1 . . . . A 97 GLY N . 36027 1 962 . 1 1 98 98 PHE H H 1 8.488 0.003 . 1 . . . . A 98 PHE H . 36027 1 963 . 1 1 98 98 PHE HA H 1 4.827 0.004 . 1 . . . . A 98 PHE HA . 36027 1 964 . 1 1 98 98 PHE HB2 H 1 3.453 0.000 . 2 . . . . A 98 PHE HB2 . 36027 1 965 . 1 1 98 98 PHE HB3 H 1 2.378 0.000 . 2 . . . . A 98 PHE HB3 . 36027 1 966 . 1 1 98 98 PHE HD1 H 1 7.146 0.002 . 3 . . . . A 98 PHE HD1 . 36027 1 967 . 1 1 98 98 PHE HE1 H 1 7.218 0.000 . 3 . . . . A 98 PHE HE1 . 36027 1 968 . 1 1 98 98 PHE CA C 13 56.820 0.006 . 1 . . . . A 98 PHE CA . 36027 1 969 . 1 1 98 98 PHE CB C 13 39.861 0.029 . 1 . . . . A 98 PHE CB . 36027 1 970 . 1 1 98 98 PHE CD1 C 13 132.431 0.001 . 3 . . . . A 98 PHE CD1 . 36027 1 971 . 1 1 98 98 PHE CE1 C 13 131.266 0.000 . 3 . . . . A 98 PHE CE1 . 36027 1 972 . 1 1 98 98 PHE N N 15 120.490 0.062 . 1 . . . . A 98 PHE N . 36027 1 973 . 1 1 99 99 GLU H H 1 10.220 0.002 . 1 . . . . A 99 GLU H . 36027 1 974 . 1 1 99 99 GLU HA H 1 4.356 0.008 . 1 . . . . A 99 GLU HA . 36027 1 975 . 1 1 99 99 GLU HB2 H 1 2.099 0.000 . 2 . . . . A 99 GLU HB2 . 36027 1 976 . 1 1 99 99 GLU HB3 H 1 1.901 0.015 . 2 . . . . A 99 GLU HB3 . 36027 1 977 . 1 1 99 99 GLU HG2 H 1 2.145 0.004 . 2 . . . . A 99 GLU HG2 . 36027 1 978 . 1 1 99 99 GLU CA C 13 59.023 0.004 . 1 . . . . A 99 GLU CA . 36027 1 979 . 1 1 99 99 GLU CB C 13 29.506 0.018 . 1 . . . . A 99 GLU CB . 36027 1 980 . 1 1 99 99 GLU CG C 13 37.536 0.027 . 1 . . . . A 99 GLU CG . 36027 1 981 . 1 1 99 99 GLU N N 15 125.317 0.059 . 1 . . . . A 99 GLU N . 36027 1 982 . 1 1 100 100 SER H H 1 10.275 0.002 . 1 . . . . A 100 SER H . 36027 1 983 . 1 1 100 100 SER HA H 1 4.204 0.000 . 1 . . . . A 100 SER HA . 36027 1 984 . 1 1 100 100 SER HB2 H 1 4.416 0.000 . 2 . . . . A 100 SER HB2 . 36027 1 985 . 1 1 100 100 SER HB3 H 1 4.376 0.000 . 2 . . . . A 100 SER HB3 . 36027 1 986 . 1 1 100 100 SER CA C 13 58.313 0.009 . 1 . . . . A 100 SER CA . 36027 1 987 . 1 1 100 100 SER CB C 13 64.655 0.047 . 1 . . . . A 100 SER CB . 36027 1 988 . 1 1 100 100 SER N N 15 118.853 0.067 . 1 . . . . A 100 SER N . 36027 1 989 . 1 1 101 101 ALA H H 1 8.791 0.001 . 1 . . . . A 101 ALA H . 36027 1 990 . 1 1 101 101 ALA HA H 1 3.983 0.002 . 1 . . . . A 101 ALA HA . 36027 1 991 . 1 1 101 101 ALA HB1 H 1 1.426 0.003 . 1 . . . . A 101 ALA HB1 . 36027 1 992 . 1 1 101 101 ALA HB2 H 1 1.426 0.003 . 1 . . . . A 101 ALA HB2 . 36027 1 993 . 1 1 101 101 ALA HB3 H 1 1.426 0.003 . 1 . . . . A 101 ALA HB3 . 36027 1 994 . 1 1 101 101 ALA CA C 13 55.154 0.009 . 1 . . . . A 101 ALA CA . 36027 1 995 . 1 1 101 101 ALA CB C 13 17.825 0.019 . 1 . . . . A 101 ALA CB . 36027 1 996 . 1 1 101 101 ALA N N 15 123.692 0.045 . 1 . . . . A 101 ALA N . 36027 1 997 . 1 1 102 102 THR H H 1 7.894 0.004 . 1 . . . . A 102 THR H . 36027 1 998 . 1 1 102 102 THR HA H 1 3.539 0.002 . 1 . . . . A 102 THR HA . 36027 1 999 . 1 1 102 102 THR HB H 1 3.792 0.002 . 1 . . . . A 102 THR HB . 36027 1 1000 . 1 1 102 102 THR HG21 H 1 1.087 0.002 . 1 . . . . A 102 THR HG21 . 36027 1 1001 . 1 1 102 102 THR HG22 H 1 1.087 0.002 . 1 . . . . A 102 THR HG22 . 36027 1 1002 . 1 1 102 102 THR HG23 H 1 1.087 0.002 . 1 . . . . A 102 THR HG23 . 36027 1 1003 . 1 1 102 102 THR CA C 13 65.944 0.037 . 1 . . . . A 102 THR CA . 36027 1 1004 . 1 1 102 102 THR CB C 13 69.212 0.005 . 1 . . . . A 102 THR CB . 36027 1 1005 . 1 1 102 102 THR CG2 C 13 21.833 0.108 . 1 . . . . A 102 THR CG2 . 36027 1 1006 . 1 1 102 102 THR N N 15 114.109 0.052 . 1 . . . . A 102 THR N . 36027 1 1007 . 1 1 103 103 PHE H H 1 7.402 0.002 . 1 . . . . A 103 PHE H . 36027 1 1008 . 1 1 103 103 PHE HA H 1 2.770 0.003 . 1 . . . . A 103 PHE HA . 36027 1 1009 . 1 1 103 103 PHE HB2 H 1 2.900 0.000 . 2 . . . . A 103 PHE HB2 . 36027 1 1010 . 1 1 103 103 PHE HB3 H 1 2.723 0.000 . 2 . . . . A 103 PHE HB3 . 36027 1 1011 . 1 1 103 103 PHE HD1 H 1 6.374 0.014 . 3 . . . . A 103 PHE HD1 . 36027 1 1012 . 1 1 103 103 PHE CA C 13 59.778 0.019 . 1 . . . . A 103 PHE CA . 36027 1 1013 . 1 1 103 103 PHE CB C 13 39.300 0.018 . 1 . . . . A 103 PHE CB . 36027 1 1014 . 1 1 103 103 PHE CD1 C 13 131.529 0.062 . 3 . . . . A 103 PHE CD1 . 36027 1 1015 . 1 1 103 103 PHE N N 15 121.225 0.046 . 1 . . . . A 103 PHE N . 36027 1 1016 . 1 1 104 104 LEU H H 1 8.208 0.002 . 1 . . . . A 104 LEU H . 36027 1 1017 . 1 1 104 104 LEU HA H 1 3.785 0.007 . 1 . . . . A 104 LEU HA . 36027 1 1018 . 1 1 104 104 LEU HB2 H 1 1.393 0.000 . 2 . . . . A 104 LEU HB2 . 36027 1 1019 . 1 1 104 104 LEU HB3 H 1 1.688 0.002 . 2 . . . . A 104 LEU HB3 . 36027 1 1020 . 1 1 104 104 LEU HG H 1 1.811 0.014 . 1 . . . . A 104 LEU HG . 36027 1 1021 . 1 1 104 104 LEU HD11 H 1 0.835 0.003 . 2 . . . . A 104 LEU HD11 . 36027 1 1022 . 1 1 104 104 LEU HD12 H 1 0.835 0.003 . 2 . . . . A 104 LEU HD12 . 36027 1 1023 . 1 1 104 104 LEU HD13 H 1 0.835 0.003 . 2 . . . . A 104 LEU HD13 . 36027 1 1024 . 1 1 104 104 LEU HD21 H 1 0.856 0.005 . 2 . . . . A 104 LEU HD21 . 36027 1 1025 . 1 1 104 104 LEU HD22 H 1 0.856 0.005 . 2 . . . . A 104 LEU HD22 . 36027 1 1026 . 1 1 104 104 LEU HD23 H 1 0.856 0.005 . 2 . . . . A 104 LEU HD23 . 36027 1 1027 . 1 1 104 104 LEU CA C 13 57.815 0.050 . 1 . . . . A 104 LEU CA . 36027 1 1028 . 1 1 104 104 LEU CB C 13 41.391 0.026 . 1 . . . . A 104 LEU CB . 36027 1 1029 . 1 1 104 104 LEU CG C 13 26.705 0.014 . 1 . . . . A 104 LEU CG . 36027 1 1030 . 1 1 104 104 LEU CD1 C 13 25.454 0.017 . 2 . . . . A 104 LEU CD1 . 36027 1 1031 . 1 1 104 104 LEU CD2 C 13 23.060 0.026 . 2 . . . . A 104 LEU CD2 . 36027 1 1032 . 1 1 104 104 LEU N N 15 115.567 0.058 . 1 . . . . A 104 LEU N . 36027 1 1033 . 1 1 105 105 GLY H H 1 7.490 0.003 . 1 . . . . A 105 GLY H . 36027 1 1034 . 1 1 105 105 GLY HA2 H 1 3.635 0.001 . 2 . . . . A 105 GLY HA2 . 36027 1 1035 . 1 1 105 105 GLY HA3 H 1 3.813 0.000 . 2 . . . . A 105 GLY HA3 . 36027 1 1036 . 1 1 105 105 GLY CA C 13 45.692 0.000 . 1 . . . . A 105 GLY CA . 36027 1 1037 . 1 1 105 105 GLY N N 15 103.858 0.095 . 1 . . . . A 105 GLY N . 36027 1 1038 . 1 1 106 106 TYR H H 1 7.050 0.002 . 1 . . . . A 106 TYR H . 36027 1 1039 . 1 1 106 106 TYR HA H 1 4.296 0.000 . 1 . . . . A 106 TYR HA . 36027 1 1040 . 1 1 106 106 TYR HB2 H 1 1.780 0.001 . 2 . . . . A 106 TYR HB2 . 36027 1 1041 . 1 1 106 106 TYR HB3 H 1 2.112 0.006 . 2 . . . . A 106 TYR HB3 . 36027 1 1042 . 1 1 106 106 TYR HD1 H 1 6.289 0.004 . 3 . . . . A 106 TYR HD1 . 36027 1 1043 . 1 1 106 106 TYR HE1 H 1 6.188 0.004 . 3 . . . . A 106 TYR HE1 . 36027 1 1044 . 1 1 106 106 TYR CA C 13 54.942 0.005 . 1 . . . . A 106 TYR CA . 36027 1 1045 . 1 1 106 106 TYR CB C 13 35.658 0.006 . 1 . . . . A 106 TYR CB . 36027 1 1046 . 1 1 106 106 TYR CD1 C 13 130.852 0.055 . 3 . . . . A 106 TYR CD1 . 36027 1 1047 . 1 1 106 106 TYR CE1 C 13 117.466 0.052 . 3 . . . . A 106 TYR CE1 . 36027 1 1048 . 1 1 106 106 TYR N N 15 118.137 0.041 . 1 . . . . A 106 TYR N . 36027 1 1049 . 1 1 107 107 PHE H H 1 7.042 0.004 . 1 . . . . A 107 PHE H . 36027 1 1050 . 1 1 107 107 PHE HA H 1 4.470 0.000 . 1 . . . . A 107 PHE HA . 36027 1 1051 . 1 1 107 107 PHE HB2 H 1 2.575 0.000 . 2 . . . . A 107 PHE HB2 . 36027 1 1052 . 1 1 107 107 PHE HB3 H 1 2.931 0.002 . 2 . . . . A 107 PHE HB3 . 36027 1 1053 . 1 1 107 107 PHE HD1 H 1 6.848 0.006 . 3 . . . . A 107 PHE HD1 . 36027 1 1054 . 1 1 107 107 PHE HE1 H 1 6.676 0.331 . 3 . . . . A 107 PHE HE1 . 36027 1 1055 . 1 1 107 107 PHE HZ H 1 6.486 0.006 . 1 . . . . A 107 PHE HZ . 36027 1 1056 . 1 1 107 107 PHE CA C 13 56.364 0.000 . 1 . . . . A 107 PHE CA . 36027 1 1057 . 1 1 107 107 PHE CB C 13 38.965 0.023 . 1 . . . . A 107 PHE CB . 36027 1 1058 . 1 1 107 107 PHE CD1 C 13 133.018 0.024 . 3 . . . . A 107 PHE CD1 . 36027 1 1059 . 1 1 107 107 PHE CE1 C 13 130.609 0.021 . 3 . . . . A 107 PHE CE1 . 36027 1 1060 . 1 1 107 107 PHE CZ C 13 127.382 0.059 . 1 . . . . A 107 PHE CZ . 36027 1 1061 . 1 1 107 107 PHE N N 15 117.025 0.086 . 1 . . . . A 107 PHE N . 36027 1 1062 . 1 1 109 109 SER HA H 1 4.546 0.000 . 1 . . . . A 109 SER HA . 36027 1 1063 . 1 1 109 109 SER HB2 H 1 3.875 0.000 . 2 . . . . A 109 SER HB2 . 36027 1 1064 . 1 1 109 109 SER CA C 13 57.595 0.000 . 1 . . . . A 109 SER CA . 36027 1 1065 . 1 1 109 109 SER CB C 13 63.430 0.000 . 1 . . . . A 109 SER CB . 36027 1 1066 . 1 1 110 110 GLY H H 1 7.570 0.001 . 1 . . . . A 110 GLY H . 36027 1 1067 . 1 1 110 110 GLY HA2 H 1 4.084 0.003 . 2 . . . . A 110 GLY HA2 . 36027 1 1068 . 1 1 110 110 GLY HA3 H 1 3.713 0.005 . 2 . . . . A 110 GLY HA3 . 36027 1 1069 . 1 1 110 110 GLY CA C 13 44.222 0.033 . 1 . . . . A 110 GLY CA . 36027 1 1070 . 1 1 110 110 GLY N N 15 108.835 0.045 . 1 . . . . A 110 GLY N . 36027 1 1071 . 1 1 111 111 LEU H H 1 8.082 0.001 . 1 . . . . A 111 LEU H . 36027 1 1072 . 1 1 111 111 LEU HA H 1 4.282 0.001 . 1 . . . . A 111 LEU HA . 36027 1 1073 . 1 1 111 111 LEU HB2 H 1 1.103 0.002 . 2 . . . . A 111 LEU HB2 . 36027 1 1074 . 1 1 111 111 LEU HB3 H 1 0.788 0.001 . 2 . . . . A 111 LEU HB3 . 36027 1 1075 . 1 1 111 111 LEU HG H 1 1.195 0.006 . 1 . . . . A 111 LEU HG . 36027 1 1076 . 1 1 111 111 LEU HD11 H 1 0.137 0.012 . 2 . . . . A 111 LEU HD11 . 36027 1 1077 . 1 1 111 111 LEU HD12 H 1 0.137 0.012 . 2 . . . . A 111 LEU HD12 . 36027 1 1078 . 1 1 111 111 LEU HD13 H 1 0.137 0.012 . 2 . . . . A 111 LEU HD13 . 36027 1 1079 . 1 1 111 111 LEU HD21 H 1 0.492 0.007 . 2 . . . . A 111 LEU HD21 . 36027 1 1080 . 1 1 111 111 LEU HD22 H 1 0.492 0.007 . 2 . . . . A 111 LEU HD22 . 36027 1 1081 . 1 1 111 111 LEU HD23 H 1 0.492 0.007 . 2 . . . . A 111 LEU HD23 . 36027 1 1082 . 1 1 111 111 LEU CA C 13 54.270 0.004 . 1 . . . . A 111 LEU CA . 36027 1 1083 . 1 1 111 111 LEU CB C 13 42.708 0.030 . 1 . . . . A 111 LEU CB . 36027 1 1084 . 1 1 111 111 LEU CG C 13 27.357 0.037 . 1 . . . . A 111 LEU CG . 36027 1 1085 . 1 1 111 111 LEU CD1 C 13 24.671 0.099 . 2 . . . . A 111 LEU CD1 . 36027 1 1086 . 1 1 111 111 LEU CD2 C 13 25.935 0.048 . 2 . . . . A 111 LEU CD2 . 36027 1 1087 . 1 1 111 111 LEU N N 15 120.451 0.053 . 1 . . . . A 111 LEU N . 36027 1 1088 . 1 1 112 112 LYS H H 1 8.440 0.001 . 1 . . . . A 112 LYS H . 36027 1 1089 . 1 1 112 112 LYS HA H 1 4.219 0.061 . 1 . . . . A 112 LYS HA . 36027 1 1090 . 1 1 112 112 LYS HB2 H 1 1.426 0.010 . 2 . . . . A 112 LYS HB2 . 36027 1 1091 . 1 1 112 112 LYS HB3 H 1 1.661 0.015 . 2 . . . . A 112 LYS HB3 . 36027 1 1092 . 1 1 112 112 LYS HG3 H 1 1.094 0.001 . 2 . . . . A 112 LYS HG3 . 36027 1 1093 . 1 1 112 112 LYS HD2 H 1 1.433 0.000 . 2 . . . . A 112 LYS HD2 . 36027 1 1094 . 1 1 112 112 LYS CA C 13 54.388 0.113 . 1 . . . . A 112 LYS CA . 36027 1 1095 . 1 1 112 112 LYS CB C 13 33.322 0.050 . 1 . . . . A 112 LYS CB . 36027 1 1096 . 1 1 112 112 LYS CG C 13 24.353 0.006 . 1 . . . . A 112 LYS CG . 36027 1 1097 . 1 1 112 112 LYS CD C 13 28.703 0.000 . 1 . . . . A 112 LYS CD . 36027 1 1098 . 1 1 112 112 LYS N N 15 123.948 0.087 . 1 . . . . A 112 LYS N . 36027 1 1099 . 1 1 113 113 TYR H H 1 8.070 0.002 . 1 . . . . A 113 TYR H . 36027 1 1100 . 1 1 113 113 TYR HA H 1 5.511 0.007 . 1 . . . . A 113 TYR HA . 36027 1 1101 . 1 1 113 113 TYR HB3 H 1 2.869 0.020 . 2 . . . . A 113 TYR HB3 . 36027 1 1102 . 1 1 113 113 TYR HD1 H 1 7.068 0.005 . 3 . . . . A 113 TYR HD1 . 36027 1 1103 . 1 1 113 113 TYR HE1 H 1 6.862 0.014 . 3 . . . . A 113 TYR HE1 . 36027 1 1104 . 1 1 113 113 TYR CA C 13 54.290 0.021 . 1 . . . . A 113 TYR CA . 36027 1 1105 . 1 1 113 113 TYR CB C 13 38.036 0.018 . 1 . . . . A 113 TYR CB . 36027 1 1106 . 1 1 113 113 TYR CD1 C 13 132.273 0.022 . 3 . . . . A 113 TYR CD1 . 36027 1 1107 . 1 1 113 113 TYR CE1 C 13 119.091 0.098 . 3 . . . . A 113 TYR CE1 . 36027 1 1108 . 1 1 113 113 TYR N N 15 122.798 0.054 . 1 . . . . A 113 TYR N . 36027 1 1109 . 1 1 114 114 LYS H H 1 8.856 0.003 . 1 . . . . A 114 LYS H . 36027 1 1110 . 1 1 114 114 LYS HA H 1 4.528 0.001 . 1 . . . . A 114 LYS HA . 36027 1 1111 . 1 1 114 114 LYS HB2 H 1 1.437 0.004 . 2 . . . . A 114 LYS HB2 . 36027 1 1112 . 1 1 114 114 LYS HG2 H 1 0.973 0.000 . 2 . . . . A 114 LYS HG2 . 36027 1 1113 . 1 1 114 114 LYS HD3 H 1 1.186 0.000 . 2 . . . . A 114 LYS HD3 . 36027 1 1114 . 1 1 114 114 LYS CA C 13 54.245 0.000 . 1 . . . . A 114 LYS CA . 36027 1 1115 . 1 1 114 114 LYS CB C 13 34.372 0.008 . 1 . . . . A 114 LYS CB . 36027 1 1116 . 1 1 114 114 LYS CG C 13 24.196 0.000 . 1 . . . . A 114 LYS CG . 36027 1 1117 . 1 1 114 114 LYS CD C 13 28.618 0.000 . 1 . . . . A 114 LYS CD . 36027 1 1118 . 1 1 114 114 LYS N N 15 125.520 0.046 . 1 . . . . A 114 LYS N . 36027 1 1119 . 1 1 115 115 LYS H H 1 8.440 0.020 . 1 . . . . A 115 LYS H . 36027 1 1120 . 1 1 115 115 LYS HA H 1 4.503 0.003 . 1 . . . . A 115 LYS HA . 36027 1 1121 . 1 1 115 115 LYS HB2 H 1 1.770 0.016 . 2 . . . . A 115 LYS HB2 . 36027 1 1122 . 1 1 115 115 LYS HG3 H 1 1.465 0.006 . 2 . . . . A 115 LYS HG3 . 36027 1 1123 . 1 1 115 115 LYS CA C 13 56.649 0.001 . 1 . . . . A 115 LYS CA . 36027 1 1124 . 1 1 115 115 LYS CB C 13 33.056 0.006 . 1 . . . . A 115 LYS CB . 36027 1 1125 . 1 1 115 115 LYS CG C 13 24.922 0.002 . 1 . . . . A 115 LYS CG . 36027 1 1126 . 1 1 115 115 LYS N N 15 123.481 0.064 . 1 . . . . A 115 LYS N . 36027 1 1127 . 1 1 116 116 GLY H H 1 8.363 0.002 . 1 . . . . A 116 GLY H . 36027 1 1128 . 1 1 116 116 GLY HA2 H 1 3.946 0.000 . 2 . . . . A 116 GLY HA2 . 36027 1 1129 . 1 1 116 116 GLY HA3 H 1 3.579 0.000 . 2 . . . . A 116 GLY HA3 . 36027 1 1130 . 1 1 116 116 GLY CA C 13 44.196 0.002 . 1 . . . . A 116 GLY CA . 36027 1 1131 . 1 1 116 116 GLY N N 15 111.835 0.060 . 1 . . . . A 116 GLY N . 36027 1 1132 . 1 1 119 119 ALA HA H 1 4.222 0.000 . 1 . . . . A 119 ALA HA . 36027 1 1133 . 1 1 119 119 ALA HB1 H 1 1.416 0.000 . 1 . . . . A 119 ALA HB1 . 36027 1 1134 . 1 1 119 119 ALA HB2 H 1 1.416 0.000 . 1 . . . . A 119 ALA HB2 . 36027 1 1135 . 1 1 119 119 ALA HB3 H 1 1.416 0.000 . 1 . . . . A 119 ALA HB3 . 36027 1 1136 . 1 1 119 119 ALA CA C 13 53.605 0.000 . 1 . . . . A 119 ALA CA . 36027 1 1137 . 1 1 119 119 ALA CB C 13 18.837 0.097 . 1 . . . . A 119 ALA CB . 36027 1 1138 . 1 1 121 121 GLY H H 1 8.124 0.000 . 1 . . . . A 121 GLY H . 36027 1 1139 . 1 1 121 121 GLY N N 15 109.471 0.000 . 1 . . . . A 121 GLY N . 36027 1 1140 . 1 1 124 124 HIS HA H 1 4.539 0.000 . 1 . . . . A 124 HIS HA . 36027 1 1141 . 1 1 124 124 HIS HB3 H 1 2.986 0.000 . 2 . . . . A 124 HIS HB3 . 36027 1 1142 . 1 1 124 124 HIS CA C 13 56.410 0.000 . 1 . . . . A 124 HIS CA . 36027 1 1143 . 1 1 124 124 HIS CB C 13 30.279 0.000 . 1 . . . . A 124 HIS CB . 36027 1 1144 . 1 1 125 125 VAL H H 1 7.950 0.001 . 1 . . . . A 125 VAL H . 36027 1 1145 . 1 1 125 125 VAL HA H 1 4.135 0.000 . 1 . . . . A 125 VAL HA . 36027 1 1146 . 1 1 125 125 VAL HB H 1 1.946 0.000 . 1 . . . . A 125 VAL HB . 36027 1 1147 . 1 1 125 125 VAL HG11 H 1 0.859 0.000 . 2 . . . . A 125 VAL HG11 . 36027 1 1148 . 1 1 125 125 VAL HG12 H 1 0.859 0.000 . 2 . . . . A 125 VAL HG12 . 36027 1 1149 . 1 1 125 125 VAL HG13 H 1 0.859 0.000 . 2 . . . . A 125 VAL HG13 . 36027 1 1150 . 1 1 125 125 VAL CA C 13 61.837 0.000 . 1 . . . . A 125 VAL CA . 36027 1 1151 . 1 1 125 125 VAL CB C 13 33.480 0.000 . 1 . . . . A 125 VAL CB . 36027 1 1152 . 1 1 125 125 VAL CG1 C 13 20.671 0.000 . 2 . . . . A 125 VAL CG1 . 36027 1 1153 . 1 1 125 125 VAL N N 15 122.566 0.090 . 1 . . . . A 125 VAL N . 36027 1 1154 . 1 1 126 126 VAL H H 1 8.356 0.000 . 1 . . . . A 126 VAL H . 36027 1 1155 . 1 1 126 126 VAL N N 15 126.192 0.000 . 1 . . . . A 126 VAL N . 36027 1 1156 . 1 1 127 127 PRO HA H 1 4.337 0.000 . 1 . . . . A 127 PRO HA . 36027 1 1157 . 1 1 127 127 PRO CA C 13 63.239 0.000 . 1 . . . . A 127 PRO CA . 36027 1 1158 . 1 1 128 128 ASN H H 1 8.433 0.001 . 1 . . . . A 128 ASN H . 36027 1 1159 . 1 1 128 128 ASN HA H 1 4.564 0.010 . 1 . . . . A 128 ASN HA . 36027 1 1160 . 1 1 128 128 ASN HB2 H 1 2.730 0.000 . 2 . . . . A 128 ASN HB2 . 36027 1 1161 . 1 1 128 128 ASN CA C 13 53.645 0.010 . 1 . . . . A 128 ASN CA . 36027 1 1162 . 1 1 128 128 ASN CB C 13 38.948 0.000 . 1 . . . . A 128 ASN CB . 36027 1 1163 . 1 1 128 128 ASN N N 15 118.819 0.071 . 1 . . . . A 128 ASN N . 36027 1 1164 . 1 1 129 129 GLU H H 1 8.302 0.001 . 1 . . . . A 129 GLU H . 36027 1 1165 . 1 1 129 129 GLU HA H 1 4.242 0.005 . 1 . . . . A 129 GLU HA . 36027 1 1166 . 1 1 129 129 GLU HB3 H 1 1.923 0.007 . 2 . . . . A 129 GLU HB3 . 36027 1 1167 . 1 1 129 129 GLU HG2 H 1 2.183 0.002 . 2 . . . . A 129 GLU HG2 . 36027 1 1168 . 1 1 129 129 GLU CA C 13 56.718 0.015 . 1 . . . . A 129 GLU CA . 36027 1 1169 . 1 1 129 129 GLU CB C 13 30.421 0.001 . 1 . . . . A 129 GLU CB . 36027 1 1170 . 1 1 129 129 GLU CG C 13 36.232 0.008 . 1 . . . . A 129 GLU CG . 36027 1 1171 . 1 1 129 129 GLU N N 15 120.983 0.053 . 1 . . . . A 129 GLU N . 36027 1 1172 . 1 1 130 130 VAL H H 1 8.116 0.001 . 1 . . . . A 130 VAL H . 36027 1 1173 . 1 1 130 130 VAL HA H 1 4.011 0.000 . 1 . . . . A 130 VAL HA . 36027 1 1174 . 1 1 130 130 VAL HB H 1 1.992 0.000 . 1 . . . . A 130 VAL HB . 36027 1 1175 . 1 1 130 130 VAL HG11 H 1 0.886 0.000 . 2 . . . . A 130 VAL HG11 . 36027 1 1176 . 1 1 130 130 VAL HG12 H 1 0.886 0.000 . 2 . . . . A 130 VAL HG12 . 36027 1 1177 . 1 1 130 130 VAL HG13 H 1 0.886 0.000 . 2 . . . . A 130 VAL HG13 . 36027 1 1178 . 1 1 130 130 VAL CA C 13 62.748 0.000 . 1 . . . . A 130 VAL CA . 36027 1 1179 . 1 1 130 130 VAL CB C 13 32.547 0.000 . 1 . . . . A 130 VAL CB . 36027 1 1180 . 1 1 130 130 VAL CG1 C 13 20.933 0.000 . 2 . . . . A 130 VAL CG1 . 36027 1 1181 . 1 1 130 130 VAL N N 15 122.076 0.042 . 1 . . . . A 130 VAL N . 36027 1 1182 . 1 1 131 131 VAL H H 1 8.148 0.001 . 1 . . . . A 131 VAL H . 36027 1 1183 . 1 1 131 131 VAL HA H 1 4.002 0.000 . 1 . . . . A 131 VAL HA . 36027 1 1184 . 1 1 131 131 VAL HB H 1 1.985 0.000 . 1 . . . . A 131 VAL HB . 36027 1 1185 . 1 1 131 131 VAL HG11 H 1 0.878 0.000 . 2 . . . . A 131 VAL HG11 . 36027 1 1186 . 1 1 131 131 VAL HG12 H 1 0.878 0.000 . 2 . . . . A 131 VAL HG12 . 36027 1 1187 . 1 1 131 131 VAL HG13 H 1 0.878 0.000 . 2 . . . . A 131 VAL HG13 . 36027 1 1188 . 1 1 131 131 VAL CA C 13 62.696 0.000 . 1 . . . . A 131 VAL CA . 36027 1 1189 . 1 1 131 131 VAL CB C 13 32.615 0.000 . 1 . . . . A 131 VAL CB . 36027 1 1190 . 1 1 131 131 VAL CG1 C 13 20.946 0.000 . 2 . . . . A 131 VAL CG1 . 36027 1 1191 . 1 1 131 131 VAL N N 15 125.123 0.035 . 1 . . . . A 131 VAL N . 36027 1 1192 . 1 1 132 132 VAL H H 1 8.197 0.001 . 1 . . . . A 132 VAL H . 36027 1 1193 . 1 1 132 132 VAL HA H 1 4.012 0.012 . 1 . . . . A 132 VAL HA . 36027 1 1194 . 1 1 132 132 VAL HB H 1 1.975 0.000 . 1 . . . . A 132 VAL HB . 36027 1 1195 . 1 1 132 132 VAL HG11 H 1 0.875 0.000 . 2 . . . . A 132 VAL HG11 . 36027 1 1196 . 1 1 132 132 VAL HG12 H 1 0.875 0.000 . 2 . . . . A 132 VAL HG12 . 36027 1 1197 . 1 1 132 132 VAL HG13 H 1 0.875 0.000 . 2 . . . . A 132 VAL HG13 . 36027 1 1198 . 1 1 132 132 VAL CA C 13 62.519 0.028 . 1 . . . . A 132 VAL CA . 36027 1 1199 . 1 1 132 132 VAL CB C 13 32.623 0.000 . 1 . . . . A 132 VAL CB . 36027 1 1200 . 1 1 132 132 VAL CG1 C 13 20.892 0.000 . 2 . . . . A 132 VAL CG1 . 36027 1 1201 . 1 1 132 132 VAL N N 15 124.852 0.040 . 1 . . . . A 132 VAL N . 36027 1 1202 . 1 1 133 133 GLN H H 1 8.370 0.001 . 1 . . . . A 133 GLN H . 36027 1 1203 . 1 1 133 133 GLN HA H 1 4.247 0.000 . 1 . . . . A 133 GLN HA . 36027 1 1204 . 1 1 133 133 GLN HB2 H 1 1.944 0.000 . 2 . . . . A 133 GLN HB2 . 36027 1 1205 . 1 1 133 133 GLN CA C 13 55.855 0.000 . 1 . . . . A 133 GLN CA . 36027 1 1206 . 1 1 133 133 GLN CB C 13 29.485 0.000 . 1 . . . . A 133 GLN CB . 36027 1 1207 . 1 1 133 133 GLN N N 15 124.477 0.114 . 1 . . . . A 133 GLN N . 36027 1 stop_ save_