data_30205 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30205 _Entry.Title ; Solution structure of apo PCP1 from yersiniabactin synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-02 _Entry.Accession_date 2016-12-02 _Entry.Last_release_date 2016-12-21 _Entry.Original_release_date 2016-12-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 B. Harden B. J. . . 30205 2 D. Frueh D. P. . . 30205 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID LIGASE . 30205 NRPS . 30205 'peptidyl carrier protein' . 30205 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30205 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 466 30205 '15N chemical shifts' 105 30205 '1H chemical shifts' 733 30205 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 . . 2017-04-20 2016-12-02 update BMRB 'update entry citation' 30205 1 . . 2017-02-03 2016-12-02 original author 'original release' 30205 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5U3H 'BMRB Entry Tracking System' 30205 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30205 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28120469 _Citation.Full_citation . _Citation.Title ; Molecular Cross-Talk between Nonribosomal Peptide Synthetase Carrier Proteins and Unstructured Linker Regions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume 18 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1439-7633 _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 629 _Citation.Page_last 632 _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 B. Harden B. J. . . 30205 1 2 D. Frueh D. P. . . 30205 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30205 _Assembly.ID 1 _Assembly.Name 'HMWP2 nonribosomal peptide synthetase' _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 . . . . . . 30205 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30205 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HMWP2 nonribosomal peptide synthetase' _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 ; GTIDYQALKRRHTPEAENPA EADLPQGDIEKQVAALWQQL LSTGNVTRETDFFQQGGDSL LATRLTGQLHQAGYEAQLSD LFNHPRLADFAATLRKTDVP VEQPFVHSPED ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 1383-1491' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12353.520 _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 'Yersiniabactin biosynthetic protein' na 30205 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 GLY . 30205 1 2 2 THR . 30205 1 3 3 ILE . 30205 1 4 4 ASP . 30205 1 5 5 TYR . 30205 1 6 6 GLN . 30205 1 7 7 ALA . 30205 1 8 8 LEU . 30205 1 9 9 LYS . 30205 1 10 10 ARG . 30205 1 11 11 ARG . 30205 1 12 12 HIS . 30205 1 13 13 THR . 30205 1 14 14 PRO . 30205 1 15 15 GLU . 30205 1 16 16 ALA . 30205 1 17 17 GLU . 30205 1 18 18 ASN . 30205 1 19 19 PRO . 30205 1 20 20 ALA . 30205 1 21 21 GLU . 30205 1 22 22 ALA . 30205 1 23 23 ASP . 30205 1 24 24 LEU . 30205 1 25 25 PRO . 30205 1 26 26 GLN . 30205 1 27 27 GLY . 30205 1 28 28 ASP . 30205 1 29 29 ILE . 30205 1 30 30 GLU . 30205 1 31 31 LYS . 30205 1 32 32 GLN . 30205 1 33 33 VAL . 30205 1 34 34 ALA . 30205 1 35 35 ALA . 30205 1 36 36 LEU . 30205 1 37 37 TRP . 30205 1 38 38 GLN . 30205 1 39 39 GLN . 30205 1 40 40 LEU . 30205 1 41 41 LEU . 30205 1 42 42 SER . 30205 1 43 43 THR . 30205 1 44 44 GLY . 30205 1 45 45 ASN . 30205 1 46 46 VAL . 30205 1 47 47 THR . 30205 1 48 48 ARG . 30205 1 49 49 GLU . 30205 1 50 50 THR . 30205 1 51 51 ASP . 30205 1 52 52 PHE . 30205 1 53 53 PHE . 30205 1 54 54 GLN . 30205 1 55 55 GLN . 30205 1 56 56 GLY . 30205 1 57 57 GLY . 30205 1 58 58 ASP . 30205 1 59 59 SER . 30205 1 60 60 LEU . 30205 1 61 61 LEU . 30205 1 62 62 ALA . 30205 1 63 63 THR . 30205 1 64 64 ARG . 30205 1 65 65 LEU . 30205 1 66 66 THR . 30205 1 67 67 GLY . 30205 1 68 68 GLN . 30205 1 69 69 LEU . 30205 1 70 70 HIS . 30205 1 71 71 GLN . 30205 1 72 72 ALA . 30205 1 73 73 GLY . 30205 1 74 74 TYR . 30205 1 75 75 GLU . 30205 1 76 76 ALA . 30205 1 77 77 GLN . 30205 1 78 78 LEU . 30205 1 79 79 SER . 30205 1 80 80 ASP . 30205 1 81 81 LEU . 30205 1 82 82 PHE . 30205 1 83 83 ASN . 30205 1 84 84 HIS . 30205 1 85 85 PRO . 30205 1 86 86 ARG . 30205 1 87 87 LEU . 30205 1 88 88 ALA . 30205 1 89 89 ASP . 30205 1 90 90 PHE . 30205 1 91 91 ALA . 30205 1 92 92 ALA . 30205 1 93 93 THR . 30205 1 94 94 LEU . 30205 1 95 95 ARG . 30205 1 96 96 LYS . 30205 1 97 97 THR . 30205 1 98 98 ASP . 30205 1 99 99 VAL . 30205 1 100 100 PRO . 30205 1 101 101 VAL . 30205 1 102 102 GLU . 30205 1 103 103 GLN . 30205 1 104 104 PRO . 30205 1 105 105 PHE . 30205 1 106 106 VAL . 30205 1 107 107 HIS . 30205 1 108 108 SER . 30205 1 109 109 PRO . 30205 1 110 110 GLU . 30205 1 111 111 ASP . 30205 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30205 1 . THR 2 2 30205 1 . ILE 3 3 30205 1 . ASP 4 4 30205 1 . TYR 5 5 30205 1 . GLN 6 6 30205 1 . ALA 7 7 30205 1 . LEU 8 8 30205 1 . LYS 9 9 30205 1 . ARG 10 10 30205 1 . ARG 11 11 30205 1 . HIS 12 12 30205 1 . THR 13 13 30205 1 . PRO 14 14 30205 1 . GLU 15 15 30205 1 . ALA 16 16 30205 1 . GLU 17 17 30205 1 . ASN 18 18 30205 1 . PRO 19 19 30205 1 . ALA 20 20 30205 1 . GLU 21 21 30205 1 . ALA 22 22 30205 1 . ASP 23 23 30205 1 . LEU 24 24 30205 1 . PRO 25 25 30205 1 . GLN 26 26 30205 1 . GLY 27 27 30205 1 . ASP 28 28 30205 1 . ILE 29 29 30205 1 . GLU 30 30 30205 1 . LYS 31 31 30205 1 . GLN 32 32 30205 1 . VAL 33 33 30205 1 . ALA 34 34 30205 1 . ALA 35 35 30205 1 . LEU 36 36 30205 1 . TRP 37 37 30205 1 . GLN 38 38 30205 1 . GLN 39 39 30205 1 . LEU 40 40 30205 1 . LEU 41 41 30205 1 . SER 42 42 30205 1 . THR 43 43 30205 1 . GLY 44 44 30205 1 . ASN 45 45 30205 1 . VAL 46 46 30205 1 . THR 47 47 30205 1 . ARG 48 48 30205 1 . GLU 49 49 30205 1 . THR 50 50 30205 1 . ASP 51 51 30205 1 . PHE 52 52 30205 1 . PHE 53 53 30205 1 . GLN 54 54 30205 1 . GLN 55 55 30205 1 . GLY 56 56 30205 1 . GLY 57 57 30205 1 . ASP 58 58 30205 1 . SER 59 59 30205 1 . LEU 60 60 30205 1 . LEU 61 61 30205 1 . ALA 62 62 30205 1 . THR 63 63 30205 1 . ARG 64 64 30205 1 . LEU 65 65 30205 1 . THR 66 66 30205 1 . GLY 67 67 30205 1 . GLN 68 68 30205 1 . LEU 69 69 30205 1 . HIS 70 70 30205 1 . GLN 71 71 30205 1 . ALA 72 72 30205 1 . GLY 73 73 30205 1 . TYR 74 74 30205 1 . GLU 75 75 30205 1 . ALA 76 76 30205 1 . GLN 77 77 30205 1 . LEU 78 78 30205 1 . SER 79 79 30205 1 . ASP 80 80 30205 1 . LEU 81 81 30205 1 . PHE 82 82 30205 1 . ASN 83 83 30205 1 . HIS 84 84 30205 1 . PRO 85 85 30205 1 . ARG 86 86 30205 1 . LEU 87 87 30205 1 . ALA 88 88 30205 1 . ASP 89 89 30205 1 . PHE 90 90 30205 1 . ALA 91 91 30205 1 . ALA 92 92 30205 1 . THR 93 93 30205 1 . LEU 94 94 30205 1 . ARG 95 95 30205 1 . LYS 96 96 30205 1 . THR 97 97 30205 1 . ASP 98 98 30205 1 . VAL 99 99 30205 1 . PRO 100 100 30205 1 . VAL 101 101 30205 1 . GLU 102 102 30205 1 . GLN 103 103 30205 1 . PRO 104 104 30205 1 . PHE 105 105 30205 1 . VAL 106 106 30205 1 . HIS 107 107 30205 1 . SER 108 108 30205 1 . PRO 109 109 30205 1 . GLU 110 110 30205 1 . ASP 111 111 30205 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 30205 _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 . 632 organism . 'Yersinia pestis' enterobacteria . . Bacteria . Yersinia pestis . . . . . . . . . . . 'irp2, y2399, YPO1911' . 30205 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 30205 _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 . . . . . . . . . . 30205 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30205 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '920 uM protein, 20 mM sodium phosphate, 150 mM sodium chloride, 1 mM EDTA, 1 mM DTT, 400 uM DSS, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 protein . . . 1 $entity_1 . . 920 . . uM . . . . 30205 1 2 DSS 'natural abundance' . . . . . . 400 . . uM . . . . 30205 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30205 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 30205 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30205 1 6 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30205 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30205 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30205 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30205 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.4 mM protein, 20 mM sodium phosphate, 150 mM sodium chloride, 1 mM EDTA, 1 mM DTT, 400 uM DSS, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 protein . . . 1 $entity_1 . . 1.4 . . mM . . . . 30205 2 2 DSS 'natural abundance' . . . . . . 400 . . uM . . . . 30205 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30205 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 30205 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30205 2 6 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30205 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30205 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30205 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30205 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.4 mM protein, 20 mM sodium phosphate, 150 mM sodium chloride, 1 mM EDTA, 1 mM DTT, 400 uM DSS, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein . . . 1 $entity_1 . . 1.4 . . mM . . . . 30205 3 2 DSS 'natural abundance' . . . . . . 400 . . uM . . . . 30205 3 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30205 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 30205 3 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30205 3 6 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30205 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30205 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30205 _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' 200 . mM 30205 1 pH 6.60 . pH 30205 1 pressure 1 . atm 30205 1 temperature 298 . K 30205 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30205 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30205 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30205 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30205 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30205 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30205 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30205 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30205 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30205 3 'structure calculation' 30205 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30205 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30205 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30205 4 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 30205 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30205 _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 AvanceIII . 600 . . . 30205 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 30205 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 4 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 7 '3D HN(CA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 9 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 10 '3D 1H-13C HSQC-NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 11 '3D H(CCCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 12 '3D (H)C(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30205 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 30205 _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 internal indirect 0.25144953 . . . . . 30205 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30205 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30205 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 30205 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30205 1 2 '2D 1H-13C HSQC' . . . 30205 1 3 '3D HNCO' . . . 30205 1 4 '3D HN(CA)CO' . . . 30205 1 5 '3D HN(CO)CA' . . . 30205 1 6 '3D HN(COCA)CB' . . . 30205 1 7 '3D HN(CA)CB' . . . 30205 1 8 '3D HNCA' . . . 30205 1 9 '3D 1H-15N NOESY-HSQC' . . . 30205 1 10 '3D 1H-13C HSQC-NOESY' . . . 30205 1 11 '3D H(CCCO)NH' . . . 30205 1 12 '3D (H)C(CCO)NH' . . . 30205 1 13 '3D HCCH-TOCSY' . . . 30205 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.921 0.020 . 1 . . . A 1 GLY HA2 . 30205 1 2 . 1 1 1 1 GLY HA3 H 1 3.921 0.020 . 1 . . . A 1 GLY HA3 . 30205 1 3 . 1 1 1 1 GLY CA C 13 43.216 0.3 . 1 . . . A 1 GLY CA . 30205 1 4 . 1 1 2 2 THR HA H 1 4.364 0.020 . 1 . . . A 2 THR HA . 30205 1 5 . 1 1 2 2 THR HB H 1 4.162 0.020 . 1 . . . A 2 THR HB . 30205 1 6 . 1 1 2 2 THR HG21 H 1 1.206 0.020 . 1 . . . A 2 THR HG21 . 30205 1 7 . 1 1 2 2 THR HG22 H 1 1.206 0.020 . 1 . . . A 2 THR HG22 . 30205 1 8 . 1 1 2 2 THR HG23 H 1 1.206 0.020 . 1 . . . A 2 THR HG23 . 30205 1 9 . 1 1 2 2 THR CA C 13 62.043 0.3 . 1 . . . A 2 THR CA . 30205 1 10 . 1 1 2 2 THR CB C 13 69.806 0.3 . 1 . . . A 2 THR CB . 30205 1 11 . 1 1 2 2 THR CG2 C 13 21.600 0.3 . 1 . . . A 2 THR CG2 . 30205 1 12 . 1 1 3 3 ILE H H 1 8.255 0.020 . 1 . . . A 3 ILE H . 30205 1 13 . 1 1 3 3 ILE HA H 1 4.050 0.020 . 1 . . . A 3 ILE HA . 30205 1 14 . 1 1 3 3 ILE HB H 1 1.678 0.020 . 1 . . . A 3 ILE HB . 30205 1 15 . 1 1 3 3 ILE HG12 H 1 1.073 0.020 . 2 . . . A 3 ILE HG12 . 30205 1 16 . 1 1 3 3 ILE HG13 H 1 1.405 0.020 . 2 . . . A 3 ILE HG13 . 30205 1 17 . 1 1 3 3 ILE HG21 H 1 0.606 0.020 . 1 . . . A 3 ILE HG21 . 30205 1 18 . 1 1 3 3 ILE HG22 H 1 0.606 0.020 . 1 . . . A 3 ILE HG22 . 30205 1 19 . 1 1 3 3 ILE HG23 H 1 0.606 0.020 . 1 . . . A 3 ILE HG23 . 30205 1 20 . 1 1 3 3 ILE HD11 H 1 0.817 0.020 . 1 . . . A 3 ILE HD11 . 30205 1 21 . 1 1 3 3 ILE HD12 H 1 0.817 0.020 . 1 . . . A 3 ILE HD12 . 30205 1 22 . 1 1 3 3 ILE HD13 H 1 0.817 0.020 . 1 . . . A 3 ILE HD13 . 30205 1 23 . 1 1 3 3 ILE C C 13 175.304 0.3 . 1 . . . A 3 ILE C . 30205 1 24 . 1 1 3 3 ILE CA C 13 60.969 0.3 . 1 . . . A 3 ILE CA . 30205 1 25 . 1 1 3 3 ILE CB C 13 38.961 0.3 . 1 . . . A 3 ILE CB . 30205 1 26 . 1 1 3 3 ILE CG1 C 13 27.367 0.3 . 1 . . . A 3 ILE CG1 . 30205 1 27 . 1 1 3 3 ILE CG2 C 13 17.205 0.3 . 1 . . . A 3 ILE CG2 . 30205 1 28 . 1 1 3 3 ILE CD1 C 13 12.891 0.3 . 1 . . . A 3 ILE CD1 . 30205 1 29 . 1 1 3 3 ILE N N 15 123.551 0.3 . 1 . . . A 3 ILE N . 30205 1 30 . 1 1 4 4 ASP H H 1 8.283 0.020 . 1 . . . A 4 ASP H . 30205 1 31 . 1 1 4 4 ASP HA H 1 4.637 0.020 . 1 . . . A 4 ASP HA . 30205 1 32 . 1 1 4 4 ASP HB2 H 1 2.551 0.020 . 2 . . . A 4 ASP HB2 . 30205 1 33 . 1 1 4 4 ASP HB3 H 1 2.742 0.020 . 2 . . . A 4 ASP HB3 . 30205 1 34 . 1 1 4 4 ASP C C 13 176.356 0.3 . 1 . . . A 4 ASP C . 30205 1 35 . 1 1 4 4 ASP CA C 13 53.405 0.3 . 1 . . . A 4 ASP CA . 30205 1 36 . 1 1 4 4 ASP CB C 13 40.877 0.3 . 1 . . . A 4 ASP CB . 30205 1 37 . 1 1 4 4 ASP N N 15 124.793 0.3 . 1 . . . A 4 ASP N . 30205 1 38 . 1 1 5 5 TYR H H 1 8.210 0.020 . 1 . . . A 5 TYR H . 30205 1 39 . 1 1 5 5 TYR HA H 1 4.315 0.020 . 1 . . . A 5 TYR HA . 30205 1 40 . 1 1 5 5 TYR HB2 H 1 2.975 0.020 . 2 . . . A 5 TYR HB2 . 30205 1 41 . 1 1 5 5 TYR HB3 H 1 3.077 0.020 . 2 . . . A 5 TYR HB3 . 30205 1 42 . 1 1 5 5 TYR HD1 H 1 7.139 0.020 . 1 . . . A 5 TYR HD1 . 30205 1 43 . 1 1 5 5 TYR HD2 H 1 7.139 0.020 . 1 . . . A 5 TYR HD2 . 30205 1 44 . 1 1 5 5 TYR HE1 H 1 6.823 0.020 . 1 . . . A 5 TYR HE1 . 30205 1 45 . 1 1 5 5 TYR HE2 H 1 6.823 0.020 . 1 . . . A 5 TYR HE2 . 30205 1 46 . 1 1 5 5 TYR C C 13 176.951 0.3 . 1 . . . A 5 TYR C . 30205 1 47 . 1 1 5 5 TYR CA C 13 59.900 0.3 . 1 . . . A 5 TYR CA . 30205 1 48 . 1 1 5 5 TYR CB C 13 38.363 0.3 . 1 . . . A 5 TYR CB . 30205 1 49 . 1 1 5 5 TYR CD1 C 13 133.220 0.3 . 1 . . . A 5 TYR CD1 . 30205 1 50 . 1 1 5 5 TYR CE1 C 13 118.264 0.3 . 1 . . . A 5 TYR CE1 . 30205 1 51 . 1 1 5 5 TYR N N 15 122.633 0.3 . 1 . . . A 5 TYR N . 30205 1 52 . 1 1 6 6 GLN H H 1 8.273 0.020 . 1 . . . A 6 GLN H . 30205 1 53 . 1 1 6 6 GLN HA H 1 4.149 0.020 . 1 . . . A 6 GLN HA . 30205 1 54 . 1 1 6 6 GLN HB2 H 1 2.076 0.020 . 1 . . . A 6 GLN HB2 . 30205 1 55 . 1 1 6 6 GLN HB3 H 1 2.076 0.020 . 1 . . . A 6 GLN HB3 . 30205 1 56 . 1 1 6 6 GLN HG2 H 1 2.342 0.020 . 1 . . . A 6 GLN HG2 . 30205 1 57 . 1 1 6 6 GLN HG3 H 1 2.342 0.020 . 1 . . . A 6 GLN HG3 . 30205 1 58 . 1 1 6 6 GLN C C 13 176.676 0.3 . 1 . . . A 6 GLN C . 30205 1 59 . 1 1 6 6 GLN CA C 13 57.021 0.3 . 1 . . . A 6 GLN CA . 30205 1 60 . 1 1 6 6 GLN CB C 13 28.725 0.3 . 1 . . . A 6 GLN CB . 30205 1 61 . 1 1 6 6 GLN CG C 13 33.921 0.3 . 1 . . . A 6 GLN CG . 30205 1 62 . 1 1 6 6 GLN N N 15 120.186 0.3 . 1 . . . A 6 GLN N . 30205 1 63 . 1 1 7 7 ALA H H 1 7.873 0.020 . 1 . . . A 7 ALA H . 30205 1 64 . 1 1 7 7 ALA HA H 1 4.161 0.020 . 1 . . . A 7 ALA HA . 30205 1 65 . 1 1 7 7 ALA HB1 H 1 1.396 0.020 . 1 . . . A 7 ALA HB1 . 30205 1 66 . 1 1 7 7 ALA HB2 H 1 1.396 0.020 . 1 . . . A 7 ALA HB2 . 30205 1 67 . 1 1 7 7 ALA HB3 H 1 1.396 0.020 . 1 . . . A 7 ALA HB3 . 30205 1 68 . 1 1 7 7 ALA C C 13 178.609 0.3 . 1 . . . A 7 ALA C . 30205 1 69 . 1 1 7 7 ALA CA C 13 53.300 0.3 . 1 . . . A 7 ALA CA . 30205 1 70 . 1 1 7 7 ALA CB C 13 18.798 0.3 . 1 . . . A 7 ALA CB . 30205 1 71 . 1 1 7 7 ALA N N 15 123.259 0.3 . 1 . . . A 7 ALA N . 30205 1 72 . 1 1 8 8 LEU H H 1 7.838 0.020 . 1 . . . A 8 LEU H . 30205 1 73 . 1 1 8 8 LEU HA H 1 4.205 0.020 . 1 . . . A 8 LEU HA . 30205 1 74 . 1 1 8 8 LEU HB2 H 1 1.595 0.020 . 2 . . . A 8 LEU HB2 . 30205 1 75 . 1 1 8 8 LEU HB3 H 1 1.670 0.020 . 2 . . . A 8 LEU HB3 . 30205 1 76 . 1 1 8 8 LEU HG H 1 1.645 0.020 . 1 . . . A 8 LEU HG . 30205 1 77 . 1 1 8 8 LEU HD11 H 1 0.857 0.020 . 2 . . . A 8 LEU HD11 . 30205 1 78 . 1 1 8 8 LEU HD12 H 1 0.857 0.020 . 2 . . . A 8 LEU HD12 . 30205 1 79 . 1 1 8 8 LEU HD13 H 1 0.857 0.020 . 2 . . . A 8 LEU HD13 . 30205 1 80 . 1 1 8 8 LEU HD21 H 1 0.890 0.020 . 2 . . . A 8 LEU HD21 . 30205 1 81 . 1 1 8 8 LEU HD22 H 1 0.890 0.020 . 2 . . . A 8 LEU HD22 . 30205 1 82 . 1 1 8 8 LEU HD23 H 1 0.890 0.020 . 2 . . . A 8 LEU HD23 . 30205 1 83 . 1 1 8 8 LEU C C 13 177.889 0.3 . 1 . . . A 8 LEU C . 30205 1 84 . 1 1 8 8 LEU CA C 13 55.915 0.3 . 1 . . . A 8 LEU CA . 30205 1 85 . 1 1 8 8 LEU CB C 13 42.194 0.3 . 1 . . . A 8 LEU CB . 30205 1 86 . 1 1 8 8 LEU CG C 13 26.843 0.3 . 1 . . . A 8 LEU CG . 30205 1 87 . 1 1 8 8 LEU CD1 C 13 23.467 0.3 . 1 . . . A 8 LEU CD1 . 30205 1 88 . 1 1 8 8 LEU CD2 C 13 24.877 0.3 . 1 . . . A 8 LEU CD2 . 30205 1 89 . 1 1 8 8 LEU N N 15 119.415 0.3 . 1 . . . A 8 LEU N . 30205 1 90 . 1 1 9 9 LYS H H 1 7.977 0.020 . 1 . . . A 9 LYS H . 30205 1 91 . 1 1 9 9 LYS HA H 1 4.232 0.020 . 1 . . . A 9 LYS HA . 30205 1 92 . 1 1 9 9 LYS HB2 H 1 1.780 0.020 . 2 . . . A 9 LYS HB2 . 30205 1 93 . 1 1 9 9 LYS HB3 H 1 1.841 0.020 . 2 . . . A 9 LYS HB3 . 30205 1 94 . 1 1 9 9 LYS HG2 H 1 1.405 0.020 . 2 . . . A 9 LYS HG2 . 30205 1 95 . 1 1 9 9 LYS HG3 H 1 1.474 0.020 . 2 . . . A 9 LYS HG3 . 30205 1 96 . 1 1 9 9 LYS HD2 H 1 1.676 0.020 . 1 . . . A 9 LYS HD2 . 30205 1 97 . 1 1 9 9 LYS HD3 H 1 1.676 0.020 . 1 . . . A 9 LYS HD3 . 30205 1 98 . 1 1 9 9 LYS HE2 H 1 2.985 0.020 . 1 . . . A 9 LYS HE2 . 30205 1 99 . 1 1 9 9 LYS HE3 H 1 2.985 0.020 . 1 . . . A 9 LYS HE3 . 30205 1 100 . 1 1 9 9 LYS C C 13 176.814 0.3 . 1 . . . A 9 LYS C . 30205 1 101 . 1 1 9 9 LYS CA C 13 56.692 0.3 . 1 . . . A 9 LYS CA . 30205 1 102 . 1 1 9 9 LYS CB C 13 32.676 0.3 . 1 . . . A 9 LYS CB . 30205 1 103 . 1 1 9 9 LYS CG C 13 24.888 0.3 . 1 . . . A 9 LYS CG . 30205 1 104 . 1 1 9 9 LYS CD C 13 29.071 0.3 . 1 . . . A 9 LYS CD . 30205 1 105 . 1 1 9 9 LYS CE C 13 42.039 0.3 . 1 . . . A 9 LYS CE . 30205 1 106 . 1 1 9 9 LYS N N 15 120.546 0.3 . 1 . . . A 9 LYS N . 30205 1 107 . 1 1 10 10 ARG H H 1 8.051 0.020 . 1 . . . A 10 ARG H . 30205 1 108 . 1 1 10 10 ARG HA H 1 4.289 0.020 . 1 . . . A 10 ARG HA . 30205 1 109 . 1 1 10 10 ARG HB2 H 1 1.760 0.020 . 2 . . . A 10 ARG HB2 . 30205 1 110 . 1 1 10 10 ARG HB3 H 1 1.829 0.020 . 2 . . . A 10 ARG HB3 . 30205 1 111 . 1 1 10 10 ARG HG2 H 1 1.596 0.020 . 2 . . . A 10 ARG HG2 . 30205 1 112 . 1 1 10 10 ARG HG3 H 1 1.644 0.020 . 2 . . . A 10 ARG HG3 . 30205 1 113 . 1 1 10 10 ARG HD2 H 1 3.176 0.020 . 1 . . . A 10 ARG HD2 . 30205 1 114 . 1 1 10 10 ARG HD3 H 1 3.176 0.020 . 1 . . . A 10 ARG HD3 . 30205 1 115 . 1 1 10 10 ARG C C 13 176.276 0.3 . 1 . . . A 10 ARG C . 30205 1 116 . 1 1 10 10 ARG CA C 13 56.304 0.3 . 1 . . . A 10 ARG CA . 30205 1 117 . 1 1 10 10 ARG CB C 13 30.820 0.3 . 1 . . . A 10 ARG CB . 30205 1 118 . 1 1 10 10 ARG CG C 13 27.292 0.3 . 1 . . . A 10 ARG CG . 30205 1 119 . 1 1 10 10 ARG CD C 13 43.341 0.3 . 1 . . . A 10 ARG CD . 30205 1 120 . 1 1 10 10 ARG N N 15 121.030 0.3 . 1 . . . A 10 ARG N . 30205 1 121 . 1 1 11 11 ARG H H 1 8.213 0.020 . 1 . . . A 11 ARG H . 30205 1 122 . 1 1 11 11 ARG HB2 H 1 1.791 0.020 . 1 . . . A 11 ARG HB2 . 30205 1 123 . 1 1 11 11 ARG HB3 H 1 1.791 0.020 . 1 . . . A 11 ARG HB3 . 30205 1 124 . 1 1 11 11 ARG HD2 H 1 3.179 0.020 . 1 . . . A 11 ARG HD2 . 30205 1 125 . 1 1 11 11 ARG HD3 H 1 3.179 0.020 . 1 . . . A 11 ARG HD3 . 30205 1 126 . 1 1 11 11 ARG C C 13 176.047 0.3 . 1 . . . A 11 ARG C . 30205 1 127 . 1 1 11 11 ARG CA C 13 56.304 0.3 . 1 . . . A 11 ARG CA . 30205 1 128 . 1 1 11 11 ARG CB C 13 30.929 0.3 . 1 . . . A 11 ARG CB . 30205 1 129 . 1 1 11 11 ARG CG C 13 27.302 0.3 . 1 . . . A 11 ARG CG . 30205 1 130 . 1 1 11 11 ARG CD C 13 43.556 0.3 . 1 . . . A 11 ARG CD . 30205 1 131 . 1 1 11 11 ARG N N 15 121.751 0.3 . 1 . . . A 11 ARG N . 30205 1 132 . 1 1 12 12 HIS H H 1 8.466 0.020 . 1 . . . A 12 HIS H . 30205 1 133 . 1 1 12 12 HIS HA H 1 4.718 0.020 . 1 . . . A 12 HIS HA . 30205 1 134 . 1 1 12 12 HIS HB2 H 1 3.136 0.020 . 2 . . . A 12 HIS HB2 . 30205 1 135 . 1 1 12 12 HIS HB3 H 1 3.201 0.020 . 2 . . . A 12 HIS HB3 . 30205 1 136 . 1 1 12 12 HIS HD2 H 1 7.166 0.020 . 1 . . . A 12 HIS HD2 . 30205 1 137 . 1 1 12 12 HIS C C 13 174.824 0.3 . 1 . . . A 12 HIS C . 30205 1 138 . 1 1 12 12 HIS CA C 13 55.655 0.3 . 1 . . . A 12 HIS CA . 30205 1 139 . 1 1 12 12 HIS CB C 13 29.927 0.3 . 1 . . . A 12 HIS CB . 30205 1 140 . 1 1 12 12 HIS CD2 C 13 119.960 0.3 . 1 . . . A 12 HIS CD2 . 30205 1 141 . 1 1 12 12 HIS N N 15 120.812 0.3 . 1 . . . A 12 HIS N . 30205 1 142 . 1 1 13 13 THR H H 1 8.113 0.020 . 1 . . . A 13 THR H . 30205 1 143 . 1 1 13 13 THR HA H 1 4.595 0.020 . 1 . . . A 13 THR HA . 30205 1 144 . 1 1 13 13 THR HB H 1 4.177 0.020 . 1 . . . A 13 THR HB . 30205 1 145 . 1 1 13 13 THR HG21 H 1 1.210 0.020 . 1 . . . A 13 THR HG21 . 30205 1 146 . 1 1 13 13 THR HG22 H 1 1.210 0.020 . 1 . . . A 13 THR HG22 . 30205 1 147 . 1 1 13 13 THR HG23 H 1 1.210 0.020 . 1 . . . A 13 THR HG23 . 30205 1 148 . 1 1 13 13 THR C C 13 172.696 0.3 . 1 . . . A 13 THR C . 30205 1 149 . 1 1 13 13 THR CA C 13 59.599 0.3 . 1 . . . A 13 THR CA . 30205 1 150 . 1 1 13 13 THR CB C 13 69.477 0.3 . 1 . . . A 13 THR CB . 30205 1 151 . 1 1 13 13 THR CG2 C 13 21.459 0.3 . 1 . . . A 13 THR CG2 . 30205 1 152 . 1 1 13 13 THR N N 15 118.223 0.3 . 1 . . . A 13 THR N . 30205 1 153 . 1 1 14 14 PRO HA H 1 4.382 0.020 . 1 . . . A 14 PRO HA . 30205 1 154 . 1 1 14 14 PRO HB2 H 1 2.330 0.020 . 1 . . . A 14 PRO HB2 . 30205 1 155 . 1 1 14 14 PRO HB3 H 1 2.330 0.020 . 1 . . . A 14 PRO HB3 . 30205 1 156 . 1 1 14 14 PRO HG2 H 1 1.955 0.020 . 1 . . . A 14 PRO HG2 . 30205 1 157 . 1 1 14 14 PRO HG3 H 1 1.955 0.020 . 1 . . . A 14 PRO HG3 . 30205 1 158 . 1 1 14 14 PRO HD2 H 1 3.721 0.020 . 2 . . . A 14 PRO HD2 . 30205 1 159 . 1 1 14 14 PRO HD3 H 1 3.774 0.020 . 2 . . . A 14 PRO HD3 . 30205 1 160 . 1 1 14 14 PRO CA C 13 63.505 0.3 . 1 . . . A 14 PRO CA . 30205 1 161 . 1 1 14 14 PRO CB C 13 32.137 0.3 . 1 . . . A 14 PRO CB . 30205 1 162 . 1 1 14 14 PRO CG C 13 27.367 0.3 . 1 . . . A 14 PRO CG . 30205 1 163 . 1 1 14 14 PRO CD C 13 51.028 0.3 . 1 . . . A 14 PRO CD . 30205 1 164 . 1 1 15 15 GLU H H 1 8.592 0.020 . 1 . . . A 15 GLU H . 30205 1 165 . 1 1 15 15 GLU HA H 1 4.206 0.020 . 1 . . . A 15 GLU HA . 30205 1 166 . 1 1 15 15 GLU HB2 H 1 1.939 0.020 . 2 . . . A 15 GLU HB2 . 30205 1 167 . 1 1 15 15 GLU HB3 H 1 2.033 0.020 . 2 . . . A 15 GLU HB3 . 30205 1 168 . 1 1 15 15 GLU HG2 H 1 2.296 0.020 . 1 . . . A 15 GLU HG2 . 30205 1 169 . 1 1 15 15 GLU HG3 H 1 2.296 0.020 . 1 . . . A 15 GLU HG3 . 30205 1 170 . 1 1 15 15 GLU C C 13 176.345 0.3 . 1 . . . A 15 GLU C . 30205 1 171 . 1 1 15 15 GLU CA C 13 56.931 0.3 . 1 . . . A 15 GLU CA . 30205 1 172 . 1 1 15 15 GLU CB C 13 29.982 0.3 . 1 . . . A 15 GLU CB . 30205 1 173 . 1 1 15 15 GLU CG C 13 36.346 0.3 . 1 . . . A 15 GLU CG . 30205 1 174 . 1 1 15 15 GLU N N 15 120.931 0.3 . 1 . . . A 15 GLU N . 30205 1 175 . 1 1 16 16 ALA H H 1 8.229 0.020 . 1 . . . A 16 ALA H . 30205 1 176 . 1 1 16 16 ALA HA H 1 4.285 0.020 . 1 . . . A 16 ALA HA . 30205 1 177 . 1 1 16 16 ALA HB1 H 1 1.388 0.020 . 1 . . . A 16 ALA HB1 . 30205 1 178 . 1 1 16 16 ALA HB2 H 1 1.388 0.020 . 1 . . . A 16 ALA HB2 . 30205 1 179 . 1 1 16 16 ALA HB3 H 1 1.388 0.020 . 1 . . . A 16 ALA HB3 . 30205 1 180 . 1 1 16 16 ALA C C 13 177.500 0.3 . 1 . . . A 16 ALA C . 30205 1 181 . 1 1 16 16 ALA CA C 13 52.435 0.3 . 1 . . . A 16 ALA CA . 30205 1 182 . 1 1 16 16 ALA CB C 13 19.362 0.3 . 1 . . . A 16 ALA CB . 30205 1 183 . 1 1 16 16 ALA N N 15 124.376 0.3 . 1 . . . A 16 ALA N . 30205 1 184 . 1 1 17 17 GLU H H 1 8.288 0.020 . 1 . . . A 17 GLU H . 30205 1 185 . 1 1 17 17 GLU HA H 1 4.232 0.020 . 1 . . . A 17 GLU HA . 30205 1 186 . 1 1 17 17 GLU HB2 H 1 1.904 0.020 . 2 . . . A 17 GLU HB2 . 30205 1 187 . 1 1 17 17 GLU HB3 H 1 2.015 0.020 . 2 . . . A 17 GLU HB3 . 30205 1 188 . 1 1 17 17 GLU HG2 H 1 2.234 0.020 . 1 . . . A 17 GLU HG2 . 30205 1 189 . 1 1 17 17 GLU HG3 H 1 2.234 0.020 . 1 . . . A 17 GLU HG3 . 30205 1 190 . 1 1 17 17 GLU C C 13 175.967 0.3 . 1 . . . A 17 GLU C . 30205 1 191 . 1 1 17 17 GLU CA C 13 56.543 0.3 . 1 . . . A 17 GLU CA . 30205 1 192 . 1 1 17 17 GLU CB C 13 30.461 0.3 . 1 . . . A 17 GLU CB . 30205 1 193 . 1 1 17 17 GLU CG C 13 36.137 0.3 . 1 . . . A 17 GLU CG . 30205 1 194 . 1 1 17 17 GLU N N 15 119.900 0.3 . 1 . . . A 17 GLU N . 30205 1 195 . 1 1 18 18 ASN H H 1 8.445 0.020 . 1 . . . A 18 ASN H . 30205 1 196 . 1 1 18 18 ASN HA H 1 4.986 0.020 . 1 . . . A 18 ASN HA . 30205 1 197 . 1 1 18 18 ASN HB2 H 1 2.687 0.020 . 2 . . . A 18 ASN HB2 . 30205 1 198 . 1 1 18 18 ASN HB3 H 1 2.843 0.020 . 2 . . . A 18 ASN HB3 . 30205 1 199 . 1 1 18 18 ASN C C 13 173.337 0.3 . 1 . . . A 18 ASN C . 30205 1 200 . 1 1 18 18 ASN CA C 13 51.134 0.3 . 1 . . . A 18 ASN CA . 30205 1 201 . 1 1 18 18 ASN CB C 13 38.901 0.3 . 1 . . . A 18 ASN CB . 30205 1 202 . 1 1 18 18 ASN N N 15 120.148 0.3 . 1 . . . A 18 ASN N . 30205 1 203 . 1 1 19 19 PRO HA H 1 4.390 0.020 . 1 . . . A 19 PRO HA . 30205 1 204 . 1 1 19 19 PRO HB2 H 1 1.980 0.020 . 2 . . . A 19 PRO HB2 . 30205 1 205 . 1 1 19 19 PRO HB3 H 1 2.300 0.020 . 2 . . . A 19 PRO HB3 . 30205 1 206 . 1 1 19 19 PRO HG2 H 1 1.985 0.020 . 1 . . . A 19 PRO HG2 . 30205 1 207 . 1 1 19 19 PRO HG3 H 1 1.985 0.020 . 1 . . . A 19 PRO HG3 . 30205 1 208 . 1 1 19 19 PRO HD2 H 1 3.743 0.020 . 1 . . . A 19 PRO HD2 . 30205 1 209 . 1 1 19 19 PRO HD3 H 1 3.743 0.020 . 1 . . . A 19 PRO HD3 . 30205 1 210 . 1 1 19 19 PRO C C 13 176.825 0.3 . 1 . . . A 19 PRO C . 30205 1 211 . 1 1 19 19 PRO CA C 13 63.475 0.3 . 1 . . . A 19 PRO CA . 30205 1 212 . 1 1 19 19 PRO CB C 13 32.137 0.3 . 1 . . . A 19 PRO CB . 30205 1 213 . 1 1 19 19 PRO CG C 13 27.236 0.3 . 1 . . . A 19 PRO CG . 30205 1 214 . 1 1 19 19 PRO CD C 13 50.762 0.3 . 1 . . . A 19 PRO CD . 30205 1 215 . 1 1 20 20 ALA H H 1 8.359 0.020 . 1 . . . A 20 ALA H . 30205 1 216 . 1 1 20 20 ALA HA H 1 4.293 0.020 . 1 . . . A 20 ALA HA . 30205 1 217 . 1 1 20 20 ALA HB1 H 1 1.404 0.020 . 1 . . . A 20 ALA HB1 . 30205 1 218 . 1 1 20 20 ALA HB2 H 1 1.404 0.020 . 1 . . . A 20 ALA HB2 . 30205 1 219 . 1 1 20 20 ALA HB3 H 1 1.404 0.020 . 1 . . . A 20 ALA HB3 . 30205 1 220 . 1 1 20 20 ALA C C 13 178.335 0.3 . 1 . . . A 20 ALA C . 30205 1 221 . 1 1 20 20 ALA CA C 13 52.688 0.3 . 1 . . . A 20 ALA CA . 30205 1 222 . 1 1 20 20 ALA CB C 13 19.027 0.3 . 1 . . . A 20 ALA CB . 30205 1 223 . 1 1 20 20 ALA N N 15 123.447 0.3 . 1 . . . A 20 ALA N . 30205 1 224 . 1 1 21 21 GLU H H 1 8.236 0.020 . 1 . . . A 21 GLU H . 30205 1 225 . 1 1 21 21 GLU HA H 1 4.175 0.020 . 1 . . . A 21 GLU HA . 30205 1 226 . 1 1 21 21 GLU HB2 H 1 1.966 0.020 . 2 . . . A 21 GLU HB2 . 30205 1 227 . 1 1 21 21 GLU HB3 H 1 2.076 0.020 . 2 . . . A 21 GLU HB3 . 30205 1 228 . 1 1 21 21 GLU HG2 H 1 2.265 0.020 . 1 . . . A 21 GLU HG2 . 30205 1 229 . 1 1 21 21 GLU HG3 H 1 2.265 0.020 . 1 . . . A 21 GLU HG3 . 30205 1 230 . 1 1 21 21 GLU C C 13 176.974 0.3 . 1 . . . A 21 GLU C . 30205 1 231 . 1 1 21 21 GLU CA C 13 57.230 0.3 . 1 . . . A 21 GLU CA . 30205 1 232 . 1 1 21 21 GLU CB C 13 29.982 0.3 . 1 . . . A 21 GLU CB . 30205 1 233 . 1 1 21 21 GLU CG C 13 36.412 0.3 . 1 . . . A 21 GLU CG . 30205 1 234 . 1 1 21 21 GLU N N 15 119.776 0.3 . 1 . . . A 21 GLU N . 30205 1 235 . 1 1 22 22 ALA H H 1 8.092 0.020 . 1 . . . A 22 ALA H . 30205 1 236 . 1 1 22 22 ALA HA H 1 4.234 0.020 . 1 . . . A 22 ALA HA . 30205 1 237 . 1 1 22 22 ALA HB1 H 1 1.390 0.020 . 1 . . . A 22 ALA HB1 . 30205 1 238 . 1 1 22 22 ALA HB2 H 1 1.390 0.020 . 1 . . . A 22 ALA HB2 . 30205 1 239 . 1 1 22 22 ALA HB3 H 1 1.390 0.020 . 1 . . . A 22 ALA HB3 . 30205 1 240 . 1 1 22 22 ALA C C 13 177.294 0.3 . 1 . . . A 22 ALA C . 30205 1 241 . 1 1 22 22 ALA CA C 13 53.011 0.3 . 1 . . . A 22 ALA CA . 30205 1 242 . 1 1 22 22 ALA CB C 13 19.387 0.3 . 1 . . . A 22 ALA CB . 30205 1 243 . 1 1 22 22 ALA N N 15 122.810 0.3 . 1 . . . A 22 ALA N . 30205 1 244 . 1 1 23 23 ASP H H 1 8.227 0.020 . 1 . . . A 23 ASP H . 30205 1 245 . 1 1 23 23 ASP HA H 1 4.669 0.020 . 1 . . . A 23 ASP HA . 30205 1 246 . 1 1 23 23 ASP HB2 H 1 2.659 0.020 . 2 . . . A 23 ASP HB2 . 30205 1 247 . 1 1 23 23 ASP HB3 H 1 2.773 0.020 . 2 . . . A 23 ASP HB3 . 30205 1 248 . 1 1 23 23 ASP C C 13 175.784 0.3 . 1 . . . A 23 ASP C . 30205 1 249 . 1 1 23 23 ASP CA C 13 54.122 0.3 . 1 . . . A 23 ASP CA . 30205 1 250 . 1 1 23 23 ASP CB C 13 41.020 0.3 . 1 . . . A 23 ASP CB . 30205 1 251 . 1 1 23 23 ASP N N 15 117.143 0.3 . 1 . . . A 23 ASP N . 30205 1 252 . 1 1 24 24 LEU H H 1 7.691 0.020 . 1 . . . A 24 LEU H . 30205 1 253 . 1 1 24 24 LEU HA H 1 4.432 0.020 . 1 . . . A 24 LEU HA . 30205 1 254 . 1 1 24 24 LEU HB2 H 1 1.534 0.020 . 2 . . . A 24 LEU HB2 . 30205 1 255 . 1 1 24 24 LEU HB3 H 1 1.641 0.020 . 2 . . . A 24 LEU HB3 . 30205 1 256 . 1 1 24 24 LEU HG H 1 1.770 0.020 . 1 . . . A 24 LEU HG . 30205 1 257 . 1 1 24 24 LEU HD11 H 1 0.960 0.020 . 2 . . . A 24 LEU HD11 . 30205 1 258 . 1 1 24 24 LEU HD12 H 1 0.960 0.020 . 2 . . . A 24 LEU HD12 . 30205 1 259 . 1 1 24 24 LEU HD13 H 1 0.960 0.020 . 2 . . . A 24 LEU HD13 . 30205 1 260 . 1 1 24 24 LEU HD21 H 1 0.900 0.020 . 2 . . . A 24 LEU HD21 . 30205 1 261 . 1 1 24 24 LEU HD22 H 1 0.900 0.020 . 2 . . . A 24 LEU HD22 . 30205 1 262 . 1 1 24 24 LEU HD23 H 1 0.900 0.020 . 2 . . . A 24 LEU HD23 . 30205 1 263 . 1 1 24 24 LEU C C 13 174.801 0.3 . 1 . . . A 24 LEU C . 30205 1 264 . 1 1 24 24 LEU CA C 13 53.829 0.3 . 1 . . . A 24 LEU CA . 30205 1 265 . 1 1 24 24 LEU CB C 13 40.530 0.3 . 1 . . . A 24 LEU CB . 30205 1 266 . 1 1 24 24 LEU CG C 13 26.991 0.3 . 1 . . . A 24 LEU CG . 30205 1 267 . 1 1 24 24 LEU CD1 C 13 25.317 0.3 . 1 . . . A 24 LEU CD1 . 30205 1 268 . 1 1 24 24 LEU CD2 C 13 22.745 0.3 . 1 . . . A 24 LEU CD2 . 30205 1 269 . 1 1 24 24 LEU N N 15 121.863 0.3 . 1 . . . A 24 LEU N . 30205 1 270 . 1 1 25 25 PRO HA H 1 4.237 0.020 . 1 . . . A 25 PRO HA . 30205 1 271 . 1 1 25 25 PRO HB2 H 1 1.788 0.020 . 2 . . . A 25 PRO HB2 . 30205 1 272 . 1 1 25 25 PRO HB3 H 1 1.665 0.020 . 2 . . . A 25 PRO HB3 . 30205 1 273 . 1 1 25 25 PRO HG2 H 1 1.412 0.020 . 2 . . . A 25 PRO HG2 . 30205 1 274 . 1 1 25 25 PRO HG3 H 1 1.994 0.020 . 2 . . . A 25 PRO HG3 . 30205 1 275 . 1 1 25 25 PRO HD2 H 1 3.634 0.020 . 2 . . . A 25 PRO HD2 . 30205 1 276 . 1 1 25 25 PRO HD3 H 1 3.841 0.020 . 2 . . . A 25 PRO HD3 . 30205 1 277 . 1 1 25 25 PRO C C 13 174.984 0.3 . 1 . . . A 25 PRO C . 30205 1 278 . 1 1 25 25 PRO CA C 13 63.894 0.3 . 1 . . . A 25 PRO CA . 30205 1 279 . 1 1 25 25 PRO CB C 13 31.938 0.3 . 1 . . . A 25 PRO CB . 30205 1 280 . 1 1 25 25 PRO CG C 13 28.216 0.3 . 1 . . . A 25 PRO CG . 30205 1 281 . 1 1 25 25 PRO CD C 13 50.569 0.3 . 1 . . . A 25 PRO CD . 30205 1 282 . 1 1 26 26 GLN H H 1 9.120 0.020 . 1 . . . A 26 GLN H . 30205 1 283 . 1 1 26 26 GLN HA H 1 4.411 0.020 . 1 . . . A 26 GLN HA . 30205 1 284 . 1 1 26 26 GLN HB2 H 1 1.843 0.020 . 2 . . . A 26 GLN HB2 . 30205 1 285 . 1 1 26 26 GLN HB3 H 1 1.968 0.020 . 2 . . . A 26 GLN HB3 . 30205 1 286 . 1 1 26 26 GLN HG2 H 1 2.396 0.020 . 1 . . . A 26 GLN HG2 . 30205 1 287 . 1 1 26 26 GLN HG3 H 1 2.396 0.020 . 1 . . . A 26 GLN HG3 . 30205 1 288 . 1 1 26 26 GLN HE21 H 1 7.588 0.020 . 1 . . . A 26 GLN HE21 . 30205 1 289 . 1 1 26 26 GLN HE22 H 1 6.745 0.020 . 1 . . . A 26 GLN HE22 . 30205 1 290 . 1 1 26 26 GLN C C 13 175.658 0.3 . 1 . . . A 26 GLN C . 30205 1 291 . 1 1 26 26 GLN CA C 13 54.780 0.3 . 1 . . . A 26 GLN CA . 30205 1 292 . 1 1 26 26 GLN CB C 13 30.833 0.3 . 1 . . . A 26 GLN CB . 30205 1 293 . 1 1 26 26 GLN CG C 13 33.028 0.3 . 1 . . . A 26 GLN CG . 30205 1 294 . 1 1 26 26 GLN N N 15 125.117 0.3 . 1 . . . A 26 GLN N . 30205 1 295 . 1 1 26 26 GLN NE2 N 15 112.600 0.3 . 1 . . . A 26 GLN NE2 . 30205 1 296 . 1 1 27 27 GLY H H 1 8.446 0.020 . 1 . . . A 27 GLY H . 30205 1 297 . 1 1 27 27 GLY HA2 H 1 3.837 0.020 . 2 . . . A 27 GLY HA2 . 30205 1 298 . 1 1 27 27 GLY HA3 H 1 4.255 0.020 . 2 . . . A 27 GLY HA3 . 30205 1 299 . 1 1 27 27 GLY C C 13 173.463 0.3 . 1 . . . A 27 GLY C . 30205 1 300 . 1 1 27 27 GLY CA C 13 44.193 0.3 . 1 . . . A 27 GLY CA . 30205 1 301 . 1 1 27 27 GLY N N 15 111.022 0.3 . 1 . . . A 27 GLY N . 30205 1 302 . 1 1 28 28 ASP H H 1 8.307 0.020 . 1 . . . A 28 ASP H . 30205 1 303 . 1 1 28 28 ASP HA H 1 4.219 0.020 . 1 . . . A 28 ASP HA . 30205 1 304 . 1 1 28 28 ASP HB2 H 1 2.591 0.020 . 2 . . . A 28 ASP HB2 . 30205 1 305 . 1 1 28 28 ASP HB3 H 1 2.675 0.020 . 2 . . . A 28 ASP HB3 . 30205 1 306 . 1 1 28 28 ASP C C 13 178.575 0.3 . 1 . . . A 28 ASP C . 30205 1 307 . 1 1 28 28 ASP CA C 13 57.858 0.3 . 1 . . . A 28 ASP CA . 30205 1 308 . 1 1 28 28 ASP CB C 13 40.937 0.3 . 1 . . . A 28 ASP CB . 30205 1 309 . 1 1 28 28 ASP N N 15 117.308 0.3 . 1 . . . A 28 ASP N . 30205 1 310 . 1 1 29 29 ILE H H 1 7.985 0.020 . 1 . . . A 29 ILE H . 30205 1 311 . 1 1 29 29 ILE HA H 1 3.678 0.020 . 1 . . . A 29 ILE HA . 30205 1 312 . 1 1 29 29 ILE HB H 1 1.749 0.020 . 1 . . . A 29 ILE HB . 30205 1 313 . 1 1 29 29 ILE HG12 H 1 1.143 0.020 . 1 . . . A 29 ILE HG12 . 30205 1 314 . 1 1 29 29 ILE HG13 H 1 1.143 0.020 . 1 . . . A 29 ILE HG13 . 30205 1 315 . 1 1 29 29 ILE HG21 H 1 0.652 0.020 . 1 . . . A 29 ILE HG21 . 30205 1 316 . 1 1 29 29 ILE HG22 H 1 0.652 0.020 . 1 . . . A 29 ILE HG22 . 30205 1 317 . 1 1 29 29 ILE HG23 H 1 0.652 0.020 . 1 . . . A 29 ILE HG23 . 30205 1 318 . 1 1 29 29 ILE HD11 H 1 0.876 0.020 . 1 . . . A 29 ILE HD11 . 30205 1 319 . 1 1 29 29 ILE HD12 H 1 0.876 0.020 . 1 . . . A 29 ILE HD12 . 30205 1 320 . 1 1 29 29 ILE HD13 H 1 0.876 0.020 . 1 . . . A 29 ILE HD13 . 30205 1 321 . 1 1 29 29 ILE C C 13 178.209 0.3 . 1 . . . A 29 ILE C . 30205 1 322 . 1 1 29 29 ILE CA C 13 65.587 0.3 . 1 . . . A 29 ILE CA . 30205 1 323 . 1 1 29 29 ILE CB C 13 37.165 0.3 . 1 . . . A 29 ILE CB . 30205 1 324 . 1 1 29 29 ILE CG1 C 13 28.744 0.3 . 1 . . . A 29 ILE CG1 . 30205 1 325 . 1 1 29 29 ILE CG2 C 13 18.446 0.3 . 1 . . . A 29 ILE CG2 . 30205 1 326 . 1 1 29 29 ILE CD1 C 13 13.013 0.3 . 1 . . . A 29 ILE CD1 . 30205 1 327 . 1 1 29 29 ILE N N 15 120.024 0.3 . 1 . . . A 29 ILE N . 30205 1 328 . 1 1 30 30 GLU H H 1 8.647 0.020 . 1 . . . A 30 GLU H . 30205 1 329 . 1 1 30 30 GLU HA H 1 3.322 0.020 . 1 . . . A 30 GLU HA . 30205 1 330 . 1 1 30 30 GLU HB2 H 1 1.838 0.020 . 1 . . . A 30 GLU HB2 . 30205 1 331 . 1 1 30 30 GLU HB3 H 1 1.838 0.020 . 1 . . . A 30 GLU HB3 . 30205 1 332 . 1 1 30 30 GLU HG2 H 1 1.702 0.020 . 2 . . . A 30 GLU HG2 . 30205 1 333 . 1 1 30 30 GLU HG3 H 1 2.449 0.020 . 2 . . . A 30 GLU HG3 . 30205 1 334 . 1 1 30 30 GLU C C 13 179.158 0.3 . 1 . . . A 30 GLU C . 30205 1 335 . 1 1 30 30 GLU CA C 13 60.837 0.3 . 1 . . . A 30 GLU CA . 30205 1 336 . 1 1 30 30 GLU CB C 13 29.223 0.3 . 1 . . . A 30 GLU CB . 30205 1 337 . 1 1 30 30 GLU CG C 13 37.854 0.3 . 1 . . . A 30 GLU CG . 30205 1 338 . 1 1 30 30 GLU N N 15 119.240 0.3 . 1 . . . A 30 GLU N . 30205 1 339 . 1 1 31 31 LYS H H 1 7.839 0.020 . 1 . . . A 31 LYS H . 30205 1 340 . 1 1 31 31 LYS HA H 1 3.681 0.020 . 1 . . . A 31 LYS HA . 30205 1 341 . 1 1 31 31 LYS HB2 H 1 1.785 0.020 . 1 . . . A 31 LYS HB2 . 30205 1 342 . 1 1 31 31 LYS HB3 H 1 1.785 0.020 . 1 . . . A 31 LYS HB3 . 30205 1 343 . 1 1 31 31 LYS HG2 H 1 1.242 0.020 . 2 . . . A 31 LYS HG2 . 30205 1 344 . 1 1 31 31 LYS HG3 H 1 1.478 0.020 . 2 . . . A 31 LYS HG3 . 30205 1 345 . 1 1 31 31 LYS HD2 H 1 1.516 0.020 . 2 . . . A 31 LYS HD2 . 30205 1 346 . 1 1 31 31 LYS HD3 H 1 1.590 0.020 . 2 . . . A 31 LYS HD3 . 30205 1 347 . 1 1 31 31 LYS HE2 H 1 2.899 0.020 . 1 . . . A 31 LYS HE2 . 30205 1 348 . 1 1 31 31 LYS HE3 H 1 2.899 0.020 . 1 . . . A 31 LYS HE3 . 30205 1 349 . 1 1 31 31 LYS C C 13 179.215 0.3 . 1 . . . A 31 LYS C . 30205 1 350 . 1 1 31 31 LYS CA C 13 60.427 0.3 . 1 . . . A 31 LYS CA . 30205 1 351 . 1 1 31 31 LYS CB C 13 32.676 0.3 . 1 . . . A 31 LYS CB . 30205 1 352 . 1 1 31 31 LYS CG C 13 26.712 0.3 . 1 . . . A 31 LYS CG . 30205 1 353 . 1 1 31 31 LYS CD C 13 29.624 0.3 . 1 . . . A 31 LYS CD . 30205 1 354 . 1 1 31 31 LYS CE C 13 42.095 0.3 . 1 . . . A 31 LYS CE . 30205 1 355 . 1 1 31 31 LYS N N 15 115.738 0.3 . 1 . . . A 31 LYS N . 30205 1 356 . 1 1 32 32 GLN H H 1 7.945 0.020 . 1 . . . A 32 GLN H . 30205 1 357 . 1 1 32 32 GLN HA H 1 4.130 0.020 . 1 . . . A 32 GLN HA . 30205 1 358 . 1 1 32 32 GLN HB2 H 1 2.215 0.020 . 2 . . . A 32 GLN HB2 . 30205 1 359 . 1 1 32 32 GLN HB3 H 1 2.431 0.020 . 2 . . . A 32 GLN HB3 . 30205 1 360 . 1 1 32 32 GLN HG2 H 1 2.243 0.020 . 2 . . . A 32 GLN HG2 . 30205 1 361 . 1 1 32 32 GLN HG3 H 1 2.340 0.020 . 2 . . . A 32 GLN HG3 . 30205 1 362 . 1 1 32 32 GLN C C 13 179.138 0.3 . 1 . . . A 32 GLN C . 30205 1 363 . 1 1 32 32 GLN CA C 13 58.651 0.3 . 1 . . . A 32 GLN CA . 30205 1 364 . 1 1 32 32 GLN CB C 13 28.321 0.3 . 1 . . . A 32 GLN CB . 30205 1 365 . 1 1 32 32 GLN CG C 13 33.864 0.3 . 1 . . . A 32 GLN CG . 30205 1 366 . 1 1 32 32 GLN N N 15 121.254 0.3 . 1 . . . A 32 GLN N . 30205 1 367 . 1 1 33 33 VAL H H 1 8.520 0.020 . 1 . . . A 33 VAL H . 30205 1 368 . 1 1 33 33 VAL HA H 1 3.273 0.020 . 1 . . . A 33 VAL HA . 30205 1 369 . 1 1 33 33 VAL HB H 1 1.688 0.020 . 1 . . . A 33 VAL HB . 30205 1 370 . 1 1 33 33 VAL HG11 H 1 0.717 0.020 . 2 . . . A 33 VAL HG11 . 30205 1 371 . 1 1 33 33 VAL HG12 H 1 0.717 0.020 . 2 . . . A 33 VAL HG12 . 30205 1 372 . 1 1 33 33 VAL HG13 H 1 0.717 0.020 . 2 . . . A 33 VAL HG13 . 30205 1 373 . 1 1 33 33 VAL HG21 H 1 0.368 0.020 . 2 . . . A 33 VAL HG21 . 30205 1 374 . 1 1 33 33 VAL HG22 H 1 0.368 0.020 . 2 . . . A 33 VAL HG22 . 30205 1 375 . 1 1 33 33 VAL HG23 H 1 0.368 0.020 . 2 . . . A 33 VAL HG23 . 30205 1 376 . 1 1 33 33 VAL C C 13 176.905 0.3 . 1 . . . A 33 VAL C . 30205 1 377 . 1 1 33 33 VAL CA C 13 67.070 0.3 . 1 . . . A 33 VAL CA . 30205 1 378 . 1 1 33 33 VAL CB C 13 30.999 0.3 . 1 . . . A 33 VAL CB . 30205 1 379 . 1 1 33 33 VAL CG1 C 13 24.221 0.3 . 1 . . . A 33 VAL CG1 . 30205 1 380 . 1 1 33 33 VAL CG2 C 13 22.714 0.3 . 1 . . . A 33 VAL CG2 . 30205 1 381 . 1 1 33 33 VAL N N 15 119.488 0.3 . 1 . . . A 33 VAL N . 30205 1 382 . 1 1 34 34 ALA H H 1 8.560 0.020 . 1 . . . A 34 ALA H . 30205 1 383 . 1 1 34 34 ALA HA H 1 3.522 0.020 . 1 . . . A 34 ALA HA . 30205 1 384 . 1 1 34 34 ALA HB1 H 1 1.267 0.020 . 1 . . . A 34 ALA HB1 . 30205 1 385 . 1 1 34 34 ALA HB2 H 1 1.267 0.020 . 1 . . . A 34 ALA HB2 . 30205 1 386 . 1 1 34 34 ALA HB3 H 1 1.267 0.020 . 1 . . . A 34 ALA HB3 . 30205 1 387 . 1 1 34 34 ALA C C 13 178.986 0.3 . 1 . . . A 34 ALA C . 30205 1 388 . 1 1 34 34 ALA CA C 13 55.536 0.3 . 1 . . . A 34 ALA CA . 30205 1 389 . 1 1 34 34 ALA CB C 13 18.274 0.3 . 1 . . . A 34 ALA CB . 30205 1 390 . 1 1 34 34 ALA N N 15 120.931 0.3 . 1 . . . A 34 ALA N . 30205 1 391 . 1 1 35 35 ALA H H 1 7.672 0.020 . 1 . . . A 35 ALA H . 30205 1 392 . 1 1 35 35 ALA HA H 1 4.194 0.020 . 1 . . . A 35 ALA HA . 30205 1 393 . 1 1 35 35 ALA HB1 H 1 1.511 0.020 . 1 . . . A 35 ALA HB1 . 30205 1 394 . 1 1 35 35 ALA HB2 H 1 1.511 0.020 . 1 . . . A 35 ALA HB2 . 30205 1 395 . 1 1 35 35 ALA HB3 H 1 1.511 0.020 . 1 . . . A 35 ALA HB3 . 30205 1 396 . 1 1 35 35 ALA C C 13 181.217 0.3 . 1 . . . A 35 ALA C . 30205 1 397 . 1 1 35 35 ALA CA C 13 55.014 0.3 . 1 . . . A 35 ALA CA . 30205 1 398 . 1 1 35 35 ALA CB C 13 17.798 0.3 . 1 . . . A 35 ALA CB . 30205 1 399 . 1 1 35 35 ALA N N 15 119.229 0.3 . 1 . . . A 35 ALA N . 30205 1 400 . 1 1 36 36 LEU H H 1 7.547 0.020 . 1 . . . A 36 LEU H . 30205 1 401 . 1 1 36 36 LEU HA H 1 4.352 0.020 . 1 . . . A 36 LEU HA . 30205 1 402 . 1 1 36 36 LEU HB2 H 1 1.527 0.020 . 2 . . . A 36 LEU HB2 . 30205 1 403 . 1 1 36 36 LEU HB3 H 1 2.151 0.020 . 2 . . . A 36 LEU HB3 . 30205 1 404 . 1 1 36 36 LEU HG H 1 1.962 0.020 . 1 . . . A 36 LEU HG . 30205 1 405 . 1 1 36 36 LEU HD11 H 1 0.894 0.020 . 2 . . . A 36 LEU HD11 . 30205 1 406 . 1 1 36 36 LEU HD12 H 1 0.894 0.020 . 2 . . . A 36 LEU HD12 . 30205 1 407 . 1 1 36 36 LEU HD13 H 1 0.894 0.020 . 2 . . . A 36 LEU HD13 . 30205 1 408 . 1 1 36 36 LEU HD21 H 1 0.951 0.020 . 2 . . . A 36 LEU HD21 . 30205 1 409 . 1 1 36 36 LEU HD22 H 1 0.951 0.020 . 2 . . . A 36 LEU HD22 . 30205 1 410 . 1 1 36 36 LEU HD23 H 1 0.951 0.020 . 2 . . . A 36 LEU HD23 . 30205 1 411 . 1 1 36 36 LEU C C 13 180.359 0.3 . 1 . . . A 36 LEU C . 30205 1 412 . 1 1 36 36 LEU CA C 13 57.648 0.3 . 1 . . . A 36 LEU CA . 30205 1 413 . 1 1 36 36 LEU CB C 13 41.919 0.3 . 1 . . . A 36 LEU CB . 30205 1 414 . 1 1 36 36 LEU CG C 13 26.714 0.3 . 1 . . . A 36 LEU CG . 30205 1 415 . 1 1 36 36 LEU CD1 C 13 25.663 0.3 . 1 . . . A 36 LEU CD1 . 30205 1 416 . 1 1 36 36 LEU CD2 C 13 22.739 0.3 . 1 . . . A 36 LEU CD2 . 30205 1 417 . 1 1 36 36 LEU N N 15 117.996 0.3 . 1 . . . A 36 LEU N . 30205 1 418 . 1 1 37 37 TRP H H 1 9.382 0.020 . 1 . . . A 37 TRP H . 30205 1 419 . 1 1 37 37 TRP HA H 1 4.376 0.020 . 1 . . . A 37 TRP HA . 30205 1 420 . 1 1 37 37 TRP HB2 H 1 3.243 0.020 . 2 . . . A 37 TRP HB2 . 30205 1 421 . 1 1 37 37 TRP HB3 H 1 3.443 0.020 . 2 . . . A 37 TRP HB3 . 30205 1 422 . 1 1 37 37 TRP HD1 H 1 6.915 0.020 . 1 . . . A 37 TRP HD1 . 30205 1 423 . 1 1 37 37 TRP HE3 H 1 7.225 0.020 . 1 . . . A 37 TRP HE3 . 30205 1 424 . 1 1 37 37 TRP HZ2 H 1 6.676 0.020 . 1 . . . A 37 TRP HZ2 . 30205 1 425 . 1 1 37 37 TRP HZ3 H 1 7.297 0.020 . 1 . . . A 37 TRP HZ3 . 30205 1 426 . 1 1 37 37 TRP HH2 H 1 7.603 0.020 . 1 . . . A 37 TRP HH2 . 30205 1 427 . 1 1 37 37 TRP C C 13 177.843 0.3 . 1 . . . A 37 TRP C . 30205 1 428 . 1 1 37 37 TRP CA C 13 60.935 0.3 . 1 . . . A 37 TRP CA . 30205 1 429 . 1 1 37 37 TRP CB C 13 28.908 0.3 . 1 . . . A 37 TRP CB . 30205 1 430 . 1 1 37 37 TRP CD1 C 13 122.560 0.3 . 1 . . . A 37 TRP CD1 . 30205 1 431 . 1 1 37 37 TRP CE3 C 13 122.880 0.3 . 1 . . . A 37 TRP CE3 . 30205 1 432 . 1 1 37 37 TRP CZ2 C 13 113.700 0.3 . 1 . . . A 37 TRP CZ2 . 30205 1 433 . 1 1 37 37 TRP CZ3 C 13 119.971 0.3 . 1 . . . A 37 TRP CZ3 . 30205 1 434 . 1 1 37 37 TRP CH2 C 13 126.844 0.3 . 1 . . . A 37 TRP CH2 . 30205 1 435 . 1 1 37 37 TRP N N 15 121.279 0.3 . 1 . . . A 37 TRP N . 30205 1 436 . 1 1 38 38 GLN H H 1 8.839 0.020 . 1 . . . A 38 GLN H . 30205 1 437 . 1 1 38 38 GLN HA H 1 4.220 0.020 . 1 . . . A 38 GLN HA . 30205 1 438 . 1 1 38 38 GLN HB2 H 1 2.230 0.020 . 2 . . . A 38 GLN HB2 . 30205 1 439 . 1 1 38 38 GLN HB3 H 1 2.319 0.020 . 2 . . . A 38 GLN HB3 . 30205 1 440 . 1 1 38 38 GLN HG2 H 1 2.491 0.020 . 2 . . . A 38 GLN HG2 . 30205 1 441 . 1 1 38 38 GLN HG3 H 1 2.656 0.020 . 2 . . . A 38 GLN HG3 . 30205 1 442 . 1 1 38 38 GLN HE21 H 1 7.561 0.020 . 1 . . . A 38 GLN HE21 . 30205 1 443 . 1 1 38 38 GLN HE22 H 1 6.803 0.020 . 1 . . . A 38 GLN HE22 . 30205 1 444 . 1 1 38 38 GLN C C 13 178.478 0.3 . 1 . . . A 38 GLN C . 30205 1 445 . 1 1 38 38 GLN CA C 13 59.352 0.3 . 1 . . . A 38 GLN CA . 30205 1 446 . 1 1 38 38 GLN CB C 13 28.766 0.3 . 1 . . . A 38 GLN CB . 30205 1 447 . 1 1 38 38 GLN CG C 13 34.783 0.3 . 1 . . . A 38 GLN CG . 30205 1 448 . 1 1 38 38 GLN N N 15 118.619 0.3 . 1 . . . A 38 GLN N . 30205 1 449 . 1 1 38 38 GLN NE2 N 15 112.418 0.3 . 1 . . . A 38 GLN NE2 . 30205 1 450 . 1 1 39 39 GLN H H 1 7.266 0.020 . 1 . . . A 39 GLN H . 30205 1 451 . 1 1 39 39 GLN HA H 1 4.202 0.020 . 1 . . . A 39 GLN HA . 30205 1 452 . 1 1 39 39 GLN HB2 H 1 2.276 0.020 . 1 . . . A 39 GLN HB2 . 30205 1 453 . 1 1 39 39 GLN HB3 H 1 2.276 0.020 . 1 . . . A 39 GLN HB3 . 30205 1 454 . 1 1 39 39 GLN HG2 H 1 2.471 0.020 . 2 . . . A 39 GLN HG2 . 30205 1 455 . 1 1 39 39 GLN HG3 H 1 2.601 0.020 . 2 . . . A 39 GLN HG3 . 30205 1 456 . 1 1 39 39 GLN C C 13 178.232 0.3 . 1 . . . A 39 GLN C . 30205 1 457 . 1 1 39 39 GLN CA C 13 57.888 0.3 . 1 . . . A 39 GLN CA . 30205 1 458 . 1 1 39 39 GLN CB C 13 28.962 0.3 . 1 . . . A 39 GLN CB . 30205 1 459 . 1 1 39 39 GLN CG C 13 33.921 0.3 . 1 . . . A 39 GLN CG . 30205 1 460 . 1 1 39 39 GLN N N 15 115.393 0.3 . 1 . . . A 39 GLN N . 30205 1 461 . 1 1 40 40 LEU H H 1 8.222 0.020 . 1 . . . A 40 LEU H . 30205 1 462 . 1 1 40 40 LEU HA H 1 4.177 0.020 . 1 . . . A 40 LEU HA . 30205 1 463 . 1 1 40 40 LEU HB2 H 1 1.812 0.020 . 2 . . . A 40 LEU HB2 . 30205 1 464 . 1 1 40 40 LEU HB3 H 1 1.440 0.020 . 2 . . . A 40 LEU HB3 . 30205 1 465 . 1 1 40 40 LEU HG H 1 1.981 0.020 . 1 . . . A 40 LEU HG . 30205 1 466 . 1 1 40 40 LEU HD11 H 1 0.945 0.020 . 2 . . . A 40 LEU HD11 . 30205 1 467 . 1 1 40 40 LEU HD12 H 1 0.945 0.020 . 2 . . . A 40 LEU HD12 . 30205 1 468 . 1 1 40 40 LEU HD13 H 1 0.945 0.020 . 2 . . . A 40 LEU HD13 . 30205 1 469 . 1 1 40 40 LEU HD21 H 1 0.947 0.020 . 2 . . . A 40 LEU HD21 . 30205 1 470 . 1 1 40 40 LEU HD22 H 1 0.947 0.020 . 2 . . . A 40 LEU HD22 . 30205 1 471 . 1 1 40 40 LEU HD23 H 1 0.947 0.020 . 2 . . . A 40 LEU HD23 . 30205 1 472 . 1 1 40 40 LEU C C 13 177.694 0.3 . 1 . . . A 40 LEU C . 30205 1 473 . 1 1 40 40 LEU CA C 13 57.332 0.3 . 1 . . . A 40 LEU CA . 30205 1 474 . 1 1 40 40 LEU CB C 13 43.643 0.3 . 1 . . . A 40 LEU CB . 30205 1 475 . 1 1 40 40 LEU CG C 13 26.789 0.3 . 1 . . . A 40 LEU CG . 30205 1 476 . 1 1 40 40 LEU CD1 C 13 26.725 0.3 . 1 . . . A 40 LEU CD1 . 30205 1 477 . 1 1 40 40 LEU CD2 C 13 23.831 0.3 . 1 . . . A 40 LEU CD2 . 30205 1 478 . 1 1 40 40 LEU N N 15 118.844 0.3 . 1 . . . A 40 LEU N . 30205 1 479 . 1 1 41 41 LEU H H 1 8.425 0.020 . 1 . . . A 41 LEU H . 30205 1 480 . 1 1 41 41 LEU HA H 1 4.098 0.020 . 1 . . . A 41 LEU HA . 30205 1 481 . 1 1 41 41 LEU HB2 H 1 1.713 0.020 . 1 . . . A 41 LEU HB2 . 30205 1 482 . 1 1 41 41 LEU HB3 H 1 1.713 0.020 . 1 . . . A 41 LEU HB3 . 30205 1 483 . 1 1 41 41 LEU HG H 1 1.334 0.020 . 1 . . . A 41 LEU HG . 30205 1 484 . 1 1 41 41 LEU HD11 H 1 0.348 0.020 . 2 . . . A 41 LEU HD11 . 30205 1 485 . 1 1 41 41 LEU HD12 H 1 0.348 0.020 . 2 . . . A 41 LEU HD12 . 30205 1 486 . 1 1 41 41 LEU HD13 H 1 0.348 0.020 . 2 . . . A 41 LEU HD13 . 30205 1 487 . 1 1 41 41 LEU HD21 H 1 -0.172 0.020 . 2 . . . A 41 LEU HD21 . 30205 1 488 . 1 1 41 41 LEU HD22 H 1 -0.172 0.020 . 2 . . . A 41 LEU HD22 . 30205 1 489 . 1 1 41 41 LEU HD23 H 1 -0.172 0.020 . 2 . . . A 41 LEU HD23 . 30205 1 490 . 1 1 41 41 LEU C C 13 176.676 0.3 . 1 . . . A 41 LEU C . 30205 1 491 . 1 1 41 41 LEU CA C 13 54.242 0.3 . 1 . . . A 41 LEU CA . 30205 1 492 . 1 1 41 41 LEU CB C 13 41.948 0.3 . 1 . . . A 41 LEU CB . 30205 1 493 . 1 1 41 41 LEU CG C 13 26.712 0.3 . 1 . . . A 41 LEU CG . 30205 1 494 . 1 1 41 41 LEU CD1 C 13 24.802 0.3 . 1 . . . A 41 LEU CD1 . 30205 1 495 . 1 1 41 41 LEU CD2 C 13 20.944 0.3 . 1 . . . A 41 LEU CD2 . 30205 1 496 . 1 1 41 41 LEU N N 15 114.894 0.3 . 1 . . . A 41 LEU N . 30205 1 497 . 1 1 42 42 SER H H 1 7.695 0.020 . 1 . . . A 42 SER H . 30205 1 498 . 1 1 42 42 SER HA H 1 4.168 0.020 . 1 . . . A 42 SER HA . 30205 1 499 . 1 1 42 42 SER HB2 H 1 3.893 0.020 . 1 . . . A 42 SER HB2 . 30205 1 500 . 1 1 42 42 SER HB3 H 1 3.893 0.020 . 1 . . . A 42 SER HB3 . 30205 1 501 . 1 1 42 42 SER C C 13 174.011 0.3 . 1 . . . A 42 SER C . 30205 1 502 . 1 1 42 42 SER CA C 13 58.306 0.3 . 1 . . . A 42 SER CA . 30205 1 503 . 1 1 42 42 SER CB C 13 62.004 0.3 . 1 . . . A 42 SER CB . 30205 1 504 . 1 1 42 42 SER N N 15 113.356 0.3 . 1 . . . A 42 SER N . 30205 1 505 . 1 1 43 43 THR H H 1 7.732 0.020 . 1 . . . A 43 THR H . 30205 1 506 . 1 1 43 43 THR HA H 1 4.621 0.020 . 1 . . . A 43 THR HA . 30205 1 507 . 1 1 43 43 THR HB H 1 4.070 0.020 . 1 . . . A 43 THR HB . 30205 1 508 . 1 1 43 43 THR HG21 H 1 1.049 0.020 . 1 . . . A 43 THR HG21 . 30205 1 509 . 1 1 43 43 THR HG22 H 1 1.049 0.020 . 1 . . . A 43 THR HG22 . 30205 1 510 . 1 1 43 43 THR HG23 H 1 1.049 0.020 . 1 . . . A 43 THR HG23 . 30205 1 511 . 1 1 43 43 THR C C 13 173.291 0.3 . 1 . . . A 43 THR C . 30205 1 512 . 1 1 43 43 THR CA C 13 59.599 0.3 . 1 . . . A 43 THR CA . 30205 1 513 . 1 1 43 43 THR CB C 13 69.775 0.3 . 1 . . . A 43 THR CB . 30205 1 514 . 1 1 43 43 THR CG2 C 13 20.225 0.3 . 1 . . . A 43 THR CG2 . 30205 1 515 . 1 1 43 43 THR N N 15 112.540 0.3 . 1 . . . A 43 THR N . 30205 1 516 . 1 1 44 44 GLY H H 1 8.332 0.020 . 1 . . . A 44 GLY H . 30205 1 517 . 1 1 44 44 GLY HA2 H 1 3.815 0.020 . 2 . . . A 44 GLY HA2 . 30205 1 518 . 1 1 44 44 GLY HA3 H 1 4.168 0.020 . 2 . . . A 44 GLY HA3 . 30205 1 519 . 1 1 44 44 GLY C C 13 174.183 0.3 . 1 . . . A 44 GLY C . 30205 1 520 . 1 1 44 44 GLY CA C 13 45.012 0.3 . 1 . . . A 44 GLY CA . 30205 1 521 . 1 1 44 44 GLY N N 15 111.219 0.3 . 1 . . . A 44 GLY N . 30205 1 522 . 1 1 45 45 ASN H H 1 8.294 0.020 . 1 . . . A 45 ASN H . 30205 1 523 . 1 1 45 45 ASN HA H 1 4.743 0.020 . 1 . . . A 45 ASN HA . 30205 1 524 . 1 1 45 45 ASN HB2 H 1 2.628 0.020 . 2 . . . A 45 ASN HB2 . 30205 1 525 . 1 1 45 45 ASN HB3 H 1 2.747 0.020 . 2 . . . A 45 ASN HB3 . 30205 1 526 . 1 1 45 45 ASN C C 13 174.069 0.3 . 1 . . . A 45 ASN C . 30205 1 527 . 1 1 45 45 ASN CA C 13 53.077 0.3 . 1 . . . A 45 ASN CA . 30205 1 528 . 1 1 45 45 ASN CB C 13 38.722 0.3 . 1 . . . A 45 ASN CB . 30205 1 529 . 1 1 45 45 ASN N N 15 119.044 0.3 . 1 . . . A 45 ASN N . 30205 1 530 . 1 1 46 46 VAL H H 1 8.053 0.020 . 1 . . . A 46 VAL H . 30205 1 531 . 1 1 46 46 VAL HA H 1 4.277 0.020 . 1 . . . A 46 VAL HA . 30205 1 532 . 1 1 46 46 VAL HB H 1 2.016 0.020 . 1 . . . A 46 VAL HB . 30205 1 533 . 1 1 46 46 VAL HG11 H 1 1.001 0.020 . 2 . . . A 46 VAL HG11 . 30205 1 534 . 1 1 46 46 VAL HG12 H 1 1.001 0.020 . 2 . . . A 46 VAL HG12 . 30205 1 535 . 1 1 46 46 VAL HG13 H 1 1.001 0.020 . 2 . . . A 46 VAL HG13 . 30205 1 536 . 1 1 46 46 VAL HG21 H 1 1.014 0.020 . 2 . . . A 46 VAL HG21 . 30205 1 537 . 1 1 46 46 VAL HG22 H 1 1.014 0.020 . 2 . . . A 46 VAL HG22 . 30205 1 538 . 1 1 46 46 VAL HG23 H 1 1.014 0.020 . 2 . . . A 46 VAL HG23 . 30205 1 539 . 1 1 46 46 VAL C C 13 175.144 0.3 . 1 . . . A 46 VAL C . 30205 1 540 . 1 1 46 46 VAL CA C 13 62.283 0.3 . 1 . . . A 46 VAL CA . 30205 1 541 . 1 1 46 46 VAL CB C 13 33.031 0.3 . 1 . . . A 46 VAL CB . 30205 1 542 . 1 1 46 46 VAL CG1 C 13 22.256 0.3 . 1 . . . A 46 VAL CG1 . 30205 1 543 . 1 1 46 46 VAL CG2 C 13 23.017 0.3 . 1 . . . A 46 VAL CG2 . 30205 1 544 . 1 1 46 46 VAL N N 15 121.788 0.3 . 1 . . . A 46 VAL N . 30205 1 545 . 1 1 47 47 THR H H 1 9.278 0.020 . 1 . . . A 47 THR H . 30205 1 546 . 1 1 47 47 THR HA H 1 4.710 0.020 . 1 . . . A 47 THR HA . 30205 1 547 . 1 1 47 47 THR HB H 1 4.783 0.020 . 1 . . . A 47 THR HB . 30205 1 548 . 1 1 47 47 THR HG21 H 1 1.083 0.020 . 1 . . . A 47 THR HG21 . 30205 1 549 . 1 1 47 47 THR HG22 H 1 1.083 0.020 . 1 . . . A 47 THR HG22 . 30205 1 550 . 1 1 47 47 THR HG23 H 1 1.083 0.020 . 1 . . . A 47 THR HG23 . 30205 1 551 . 1 1 47 47 THR C C 13 175.085 0.3 . 1 . . . A 47 THR C . 30205 1 552 . 1 1 47 47 THR CA C 13 59.420 0.3 . 1 . . . A 47 THR CA . 30205 1 553 . 1 1 47 47 THR CB C 13 71.345 0.3 . 1 . . . A 47 THR CB . 30205 1 554 . 1 1 47 47 THR CG2 C 13 20.772 0.3 . 1 . . . A 47 THR CG2 . 30205 1 555 . 1 1 47 47 THR N N 15 118.113 0.3 . 1 . . . A 47 THR N . 30205 1 556 . 1 1 48 48 ARG H H 1 8.670 0.020 . 1 . . . A 48 ARG H . 30205 1 557 . 1 1 48 48 ARG HA H 1 3.990 0.020 . 1 . . . A 48 ARG HA . 30205 1 558 . 1 1 48 48 ARG HB2 H 1 1.676 0.020 . 2 . . . A 48 ARG HB2 . 30205 1 559 . 1 1 48 48 ARG HB3 H 1 1.933 0.020 . 2 . . . A 48 ARG HB3 . 30205 1 560 . 1 1 48 48 ARG HG2 H 1 1.555 0.020 . 1 . . . A 48 ARG HG2 . 30205 1 561 . 1 1 48 48 ARG HG3 H 1 1.555 0.020 . 1 . . . A 48 ARG HG3 . 30205 1 562 . 1 1 48 48 ARG HD2 H 1 3.256 0.020 . 1 . . . A 48 ARG HD2 . 30205 1 563 . 1 1 48 48 ARG HD3 H 1 3.256 0.020 . 1 . . . A 48 ARG HD3 . 30205 1 564 . 1 1 48 48 ARG C C 13 175.670 0.3 . 1 . . . A 48 ARG C . 30205 1 565 . 1 1 48 48 ARG CA C 13 60.158 0.3 . 1 . . . A 48 ARG CA . 30205 1 566 . 1 1 48 48 ARG CB C 13 31.179 0.3 . 1 . . . A 48 ARG CB . 30205 1 567 . 1 1 48 48 ARG CG C 13 28.317 0.3 . 1 . . . A 48 ARG CG . 30205 1 568 . 1 1 48 48 ARG CD C 13 43.175 0.3 . 1 . . . A 48 ARG CD . 30205 1 569 . 1 1 48 48 ARG N N 15 115.641 0.3 . 1 . . . A 48 ARG N . 30205 1 570 . 1 1 49 49 GLU H H 1 7.902 0.020 . 1 . . . A 49 GLU H . 30205 1 571 . 1 1 49 49 GLU HA H 1 4.476 0.020 . 1 . . . A 49 GLU HA . 30205 1 572 . 1 1 49 49 GLU HB2 H 1 1.694 0.020 . 2 . . . A 49 GLU HB2 . 30205 1 573 . 1 1 49 49 GLU HB3 H 1 2.340 0.020 . 2 . . . A 49 GLU HB3 . 30205 1 574 . 1 1 49 49 GLU HG2 H 1 2.174 0.020 . 2 . . . A 49 GLU HG2 . 30205 1 575 . 1 1 49 49 GLU HG3 H 1 2.345 0.020 . 2 . . . A 49 GLU HG3 . 30205 1 576 . 1 1 49 49 GLU C C 13 176.196 0.3 . 1 . . . A 49 GLU C . 30205 1 577 . 1 1 49 49 GLU CA C 13 54.959 0.3 . 1 . . . A 49 GLU CA . 30205 1 578 . 1 1 49 49 GLU CB C 13 30.083 0.3 . 1 . . . A 49 GLU CB . 30205 1 579 . 1 1 49 49 GLU CG C 13 35.543 0.3 . 1 . . . A 49 GLU CG . 30205 1 580 . 1 1 49 49 GLU N N 15 113.601 0.3 . 1 . . . A 49 GLU N . 30205 1 581 . 1 1 50 50 THR H H 1 7.617 0.020 . 1 . . . A 50 THR H . 30205 1 582 . 1 1 50 50 THR HA H 1 3.931 0.020 . 1 . . . A 50 THR HA . 30205 1 583 . 1 1 50 50 THR HB H 1 4.285 0.020 . 1 . . . A 50 THR HB . 30205 1 584 . 1 1 50 50 THR HG21 H 1 1.436 0.020 . 1 . . . A 50 THR HG21 . 30205 1 585 . 1 1 50 50 THR HG22 H 1 1.436 0.020 . 1 . . . A 50 THR HG22 . 30205 1 586 . 1 1 50 50 THR HG23 H 1 1.436 0.020 . 1 . . . A 50 THR HG23 . 30205 1 587 . 1 1 50 50 THR C C 13 172.113 0.3 . 1 . . . A 50 THR C . 30205 1 588 . 1 1 50 50 THR CA C 13 65.582 0.3 . 1 . . . A 50 THR CA . 30205 1 589 . 1 1 50 50 THR CB C 13 69.601 0.3 . 1 . . . A 50 THR CB . 30205 1 590 . 1 1 50 50 THR CG2 C 13 22.267 0.3 . 1 . . . A 50 THR CG2 . 30205 1 591 . 1 1 50 50 THR N N 15 120.248 0.3 . 1 . . . A 50 THR N . 30205 1 592 . 1 1 51 51 ASP H H 1 8.864 0.020 . 1 . . . A 51 ASP H . 30205 1 593 . 1 1 51 51 ASP HA H 1 5.207 0.020 . 1 . . . A 51 ASP HA . 30205 1 594 . 1 1 51 51 ASP HB2 H 1 2.476 0.020 . 2 . . . A 51 ASP HB2 . 30205 1 595 . 1 1 51 51 ASP HB3 H 1 2.924 0.020 . 2 . . . A 51 ASP HB3 . 30205 1 596 . 1 1 51 51 ASP C C 13 175.750 0.3 . 1 . . . A 51 ASP C . 30205 1 597 . 1 1 51 51 ASP CA C 13 52.419 0.3 . 1 . . . A 51 ASP CA . 30205 1 598 . 1 1 51 51 ASP CB C 13 43.511 0.3 . 1 . . . A 51 ASP CB . 30205 1 599 . 1 1 51 51 ASP N N 15 129.249 0.3 . 1 . . . A 51 ASP N . 30205 1 600 . 1 1 52 52 PHE H H 1 8.480 0.020 . 1 . . . A 52 PHE H . 30205 1 601 . 1 1 52 52 PHE HA H 1 2.870 0.020 . 1 . . . A 52 PHE HA . 30205 1 602 . 1 1 52 52 PHE HB2 H 1 1.513 0.020 . 2 . . . A 52 PHE HB2 . 30205 1 603 . 1 1 52 52 PHE HB3 H 1 2.027 0.020 . 2 . . . A 52 PHE HB3 . 30205 1 604 . 1 1 52 52 PHE HD1 H 1 4.469 0.020 . 1 . . . A 52 PHE HD1 . 30205 1 605 . 1 1 52 52 PHE HD2 H 1 4.469 0.020 . 1 . . . A 52 PHE HD2 . 30205 1 606 . 1 1 52 52 PHE HE1 H 1 6.287 0.020 . 1 . . . A 52 PHE HE1 . 30205 1 607 . 1 1 52 52 PHE HE2 H 1 6.287 0.020 . 1 . . . A 52 PHE HE2 . 30205 1 608 . 1 1 52 52 PHE HZ H 1 6.362 0.020 . 1 . . . A 52 PHE HZ . 30205 1 609 . 1 1 52 52 PHE C C 13 175.647 0.3 . 1 . . . A 52 PHE C . 30205 1 610 . 1 1 52 52 PHE CA C 13 61.826 0.3 . 1 . . . A 52 PHE CA . 30205 1 611 . 1 1 52 52 PHE CB C 13 40.377 0.3 . 1 . . . A 52 PHE CB . 30205 1 612 . 1 1 52 52 PHE CD1 C 13 131.980 0.3 . 1 . . . A 52 PHE CD1 . 30205 1 613 . 1 1 52 52 PHE CE1 C 13 129.419 0.3 . 1 . . . A 52 PHE CE1 . 30205 1 614 . 1 1 52 52 PHE CZ C 13 127.534 0.3 . 1 . . . A 52 PHE CZ . 30205 1 615 . 1 1 52 52 PHE N N 15 125.857 0.3 . 1 . . . A 52 PHE N . 30205 1 616 . 1 1 53 53 PHE H H 1 7.761 0.020 . 1 . . . A 53 PHE H . 30205 1 617 . 1 1 53 53 PHE HA H 1 3.951 0.020 . 1 . . . A 53 PHE HA . 30205 1 618 . 1 1 53 53 PHE HB2 H 1 3.044 0.020 . 2 . . . A 53 PHE HB2 . 30205 1 619 . 1 1 53 53 PHE HB3 H 1 3.141 0.020 . 2 . . . A 53 PHE HB3 . 30205 1 620 . 1 1 53 53 PHE HD1 H 1 7.214 0.020 . 1 . . . A 53 PHE HD1 . 30205 1 621 . 1 1 53 53 PHE HD2 H 1 7.214 0.020 . 1 . . . A 53 PHE HD2 . 30205 1 622 . 1 1 53 53 PHE HE1 H 1 6.853 0.020 . 1 . . . A 53 PHE HE1 . 30205 1 623 . 1 1 53 53 PHE HE2 H 1 6.853 0.020 . 1 . . . A 53 PHE HE2 . 30205 1 624 . 1 1 53 53 PHE HZ H 1 5.891 0.020 . 1 . . . A 53 PHE HZ . 30205 1 625 . 1 1 53 53 PHE C C 13 179.661 0.3 . 1 . . . A 53 PHE C . 30205 1 626 . 1 1 53 53 PHE CA C 13 60.069 0.3 . 1 . . . A 53 PHE CA . 30205 1 627 . 1 1 53 53 PHE CB C 13 38.326 0.3 . 1 . . . A 53 PHE CB . 30205 1 628 . 1 1 53 53 PHE CD1 C 13 132.228 0.3 . 1 . . . A 53 PHE CD1 . 30205 1 629 . 1 1 53 53 PHE CE1 C 13 130.543 0.3 . 1 . . . A 53 PHE CE1 . 30205 1 630 . 1 1 53 53 PHE CZ C 13 129.509 0.3 . 1 . . . A 53 PHE CZ . 30205 1 631 . 1 1 53 53 PHE N N 15 112.744 0.3 . 1 . . . A 53 PHE N . 30205 1 632 . 1 1 54 54 GLN H H 1 8.894 0.020 . 1 . . . A 54 GLN H . 30205 1 633 . 1 1 54 54 GLN HA H 1 4.105 0.020 . 1 . . . A 54 GLN HA . 30205 1 634 . 1 1 54 54 GLN HB2 H 1 2.065 0.020 . 2 . . . A 54 GLN HB2 . 30205 1 635 . 1 1 54 54 GLN HB3 H 1 2.329 0.020 . 2 . . . A 54 GLN HB3 . 30205 1 636 . 1 1 54 54 GLN HG2 H 1 2.433 0.020 . 2 . . . A 54 GLN HG2 . 30205 1 637 . 1 1 54 54 GLN HG3 H 1 2.542 0.020 . 2 . . . A 54 GLN HG3 . 30205 1 638 . 1 1 54 54 GLN C C 13 178.072 0.3 . 1 . . . A 54 GLN C . 30205 1 639 . 1 1 54 54 GLN CA C 13 58.273 0.3 . 1 . . . A 54 GLN CA . 30205 1 640 . 1 1 54 54 GLN CB C 13 28.605 0.3 . 1 . . . A 54 GLN CB . 30205 1 641 . 1 1 54 54 GLN CG C 13 33.987 0.3 . 1 . . . A 54 GLN CG . 30205 1 642 . 1 1 54 54 GLN N N 15 123.708 0.3 . 1 . . . A 54 GLN N . 30205 1 643 . 1 1 55 55 GLN H H 1 7.471 0.020 . 1 . . . A 55 GLN H . 30205 1 644 . 1 1 55 55 GLN HA H 1 4.330 0.020 . 1 . . . A 55 GLN HA . 30205 1 645 . 1 1 55 55 GLN HB2 H 1 1.752 0.020 . 2 . . . A 55 GLN HB2 . 30205 1 646 . 1 1 55 55 GLN HB3 H 1 2.211 0.020 . 2 . . . A 55 GLN HB3 . 30205 1 647 . 1 1 55 55 GLN HG2 H 1 2.480 0.020 . 1 . . . A 55 GLN HG2 . 30205 1 648 . 1 1 55 55 GLN HG3 H 1 2.480 0.020 . 1 . . . A 55 GLN HG3 . 30205 1 649 . 1 1 55 55 GLN C C 13 174.961 0.3 . 1 . . . A 55 GLN C . 30205 1 650 . 1 1 55 55 GLN CA C 13 54.180 0.3 . 1 . . . A 55 GLN CA . 30205 1 651 . 1 1 55 55 GLN CB C 13 28.545 0.3 . 1 . . . A 55 GLN CB . 30205 1 652 . 1 1 55 55 GLN CG C 13 34.751 0.3 . 1 . . . A 55 GLN CG . 30205 1 653 . 1 1 55 55 GLN N N 15 114.459 0.3 . 1 . . . A 55 GLN N . 30205 1 654 . 1 1 56 56 GLY H H 1 7.294 0.020 . 1 . . . A 56 GLY H . 30205 1 655 . 1 1 56 56 GLY HA2 H 1 3.554 0.020 . 2 . . . A 56 GLY HA2 . 30205 1 656 . 1 1 56 56 GLY HA3 H 1 4.273 0.020 . 2 . . . A 56 GLY HA3 . 30205 1 657 . 1 1 56 56 GLY C C 13 174.641 0.3 . 1 . . . A 56 GLY C . 30205 1 658 . 1 1 56 56 GLY CA C 13 44.612 0.3 . 1 . . . A 56 GLY CA . 30205 1 659 . 1 1 56 56 GLY N N 15 104.631 0.3 . 1 . . . A 56 GLY N . 30205 1 660 . 1 1 57 57 GLY H H 1 8.002 0.020 . 1 . . . A 57 GLY H . 30205 1 661 . 1 1 57 57 GLY HA2 H 1 2.190 0.020 . 2 . . . A 57 GLY HA2 . 30205 1 662 . 1 1 57 57 GLY HA3 H 1 3.001 0.020 . 2 . . . A 57 GLY HA3 . 30205 1 663 . 1 1 57 57 GLY C C 13 170.331 0.3 . 1 . . . A 57 GLY C . 30205 1 664 . 1 1 57 57 GLY CA C 13 45.269 0.3 . 1 . . . A 57 GLY CA . 30205 1 665 . 1 1 57 57 GLY N N 15 109.777 0.3 . 1 . . . A 57 GLY N . 30205 1 666 . 1 1 58 58 ASP H H 1 6.689 0.020 . 1 . . . A 58 ASP H . 30205 1 667 . 1 1 58 58 ASP HA H 1 5.001 0.020 . 1 . . . A 58 ASP HA . 30205 1 668 . 1 1 58 58 ASP HB2 H 1 2.907 0.020 . 2 . . . A 58 ASP HB2 . 30205 1 669 . 1 1 58 58 ASP HB3 H 1 3.245 0.020 . 2 . . . A 58 ASP HB3 . 30205 1 670 . 1 1 58 58 ASP C C 13 176.802 0.3 . 1 . . . A 58 ASP C . 30205 1 671 . 1 1 58 58 ASP CA C 13 52.721 0.3 . 1 . . . A 58 ASP CA . 30205 1 672 . 1 1 58 58 ASP CB C 13 42.411 0.3 . 1 . . . A 58 ASP CB . 30205 1 673 . 1 1 58 58 ASP N N 15 117.592 0.3 . 1 . . . A 58 ASP N . 30205 1 674 . 1 1 59 59 SER H H 1 8.907 0.020 . 1 . . . A 59 SER H . 30205 1 675 . 1 1 59 59 SER HA H 1 4.109 0.020 . 1 . . . A 59 SER HA . 30205 1 676 . 1 1 59 59 SER HB2 H 1 4.317 0.020 . 1 . . . A 59 SER HB2 . 30205 1 677 . 1 1 59 59 SER HB3 H 1 4.317 0.020 . 1 . . . A 59 SER HB3 . 30205 1 678 . 1 1 59 59 SER C C 13 176.196 0.3 . 1 . . . A 59 SER C . 30205 1 679 . 1 1 59 59 SER CA C 13 62.629 0.3 . 1 . . . A 59 SER CA . 30205 1 680 . 1 1 59 59 SER CB C 13 62.679 0.3 . 1 . . . A 59 SER CB . 30205 1 681 . 1 1 59 59 SER N N 15 113.791 0.3 . 1 . . . A 59 SER N . 30205 1 682 . 1 1 60 60 LEU H H 1 7.983 0.020 . 1 . . . A 60 LEU H . 30205 1 683 . 1 1 60 60 LEU HA H 1 4.275 0.020 . 1 . . . A 60 LEU HA . 30205 1 684 . 1 1 60 60 LEU HB2 H 1 1.797 0.020 . 2 . . . A 60 LEU HB2 . 30205 1 685 . 1 1 60 60 LEU HB3 H 1 1.912 0.020 . 2 . . . A 60 LEU HB3 . 30205 1 686 . 1 1 60 60 LEU HG H 1 1.658 0.020 . 1 . . . A 60 LEU HG . 30205 1 687 . 1 1 60 60 LEU HD11 H 1 0.933 0.020 . 2 . . . A 60 LEU HD11 . 30205 1 688 . 1 1 60 60 LEU HD12 H 1 0.933 0.020 . 2 . . . A 60 LEU HD12 . 30205 1 689 . 1 1 60 60 LEU HD13 H 1 0.933 0.020 . 2 . . . A 60 LEU HD13 . 30205 1 690 . 1 1 60 60 LEU HD21 H 1 0.971 0.020 . 2 . . . A 60 LEU HD21 . 30205 1 691 . 1 1 60 60 LEU HD22 H 1 0.971 0.020 . 2 . . . A 60 LEU HD22 . 30205 1 692 . 1 1 60 60 LEU HD23 H 1 0.971 0.020 . 2 . . . A 60 LEU HD23 . 30205 1 693 . 1 1 60 60 LEU C C 13 180.713 0.3 . 1 . . . A 60 LEU C . 30205 1 694 . 1 1 60 60 LEU CA C 13 58.279 0.3 . 1 . . . A 60 LEU CA . 30205 1 695 . 1 1 60 60 LEU CB C 13 41.167 0.3 . 1 . . . A 60 LEU CB . 30205 1 696 . 1 1 60 60 LEU CG C 13 27.387 0.3 . 1 . . . A 60 LEU CG . 30205 1 697 . 1 1 60 60 LEU CD1 C 13 24.172 0.3 . 1 . . . A 60 LEU CD1 . 30205 1 698 . 1 1 60 60 LEU CD2 C 13 24.496 0.3 . 1 . . . A 60 LEU CD2 . 30205 1 699 . 1 1 60 60 LEU N N 15 125.649 0.3 . 1 . . . A 60 LEU N . 30205 1 700 . 1 1 61 61 LEU H H 1 9.175 0.020 . 1 . . . A 61 LEU H . 30205 1 701 . 1 1 61 61 LEU HA H 1 4.093 0.020 . 1 . . . A 61 LEU HA . 30205 1 702 . 1 1 61 61 LEU HB2 H 1 1.461 0.020 . 2 . . . A 61 LEU HB2 . 30205 1 703 . 1 1 61 61 LEU HB3 H 1 1.715 0.020 . 2 . . . A 61 LEU HB3 . 30205 1 704 . 1 1 61 61 LEU HG H 1 1.980 0.020 . 1 . . . A 61 LEU HG . 30205 1 705 . 1 1 61 61 LEU HD11 H 1 0.833 0.020 . 2 . . . A 61 LEU HD11 . 30205 1 706 . 1 1 61 61 LEU HD12 H 1 0.833 0.020 . 2 . . . A 61 LEU HD12 . 30205 1 707 . 1 1 61 61 LEU HD13 H 1 0.833 0.020 . 2 . . . A 61 LEU HD13 . 30205 1 708 . 1 1 61 61 LEU HD21 H 1 0.825 0.020 . 2 . . . A 61 LEU HD21 . 30205 1 709 . 1 1 61 61 LEU HD22 H 1 0.825 0.020 . 2 . . . A 61 LEU HD22 . 30205 1 710 . 1 1 61 61 LEU HD23 H 1 0.825 0.020 . 2 . . . A 61 LEU HD23 . 30205 1 711 . 1 1 61 61 LEU C C 13 179.295 0.3 . 1 . . . A 61 LEU C . 30205 1 712 . 1 1 61 61 LEU CA C 13 57.828 0.3 . 1 . . . A 61 LEU CA . 30205 1 713 . 1 1 61 61 LEU CB C 13 42.553 0.3 . 1 . . . A 61 LEU CB . 30205 1 714 . 1 1 61 61 LEU CG C 13 27.070 0.3 . 1 . . . A 61 LEU CG . 30205 1 715 . 1 1 61 61 LEU CD1 C 13 25.488 0.3 . 1 . . . A 61 LEU CD1 . 30205 1 716 . 1 1 61 61 LEU CD2 C 13 23.516 0.3 . 1 . . . A 61 LEU CD2 . 30205 1 717 . 1 1 61 61 LEU N N 15 122.472 0.3 . 1 . . . A 61 LEU N . 30205 1 718 . 1 1 62 62 ALA H H 1 8.816 0.020 . 1 . . . A 62 ALA H . 30205 1 719 . 1 1 62 62 ALA HA H 1 3.579 0.020 . 1 . . . A 62 ALA HA . 30205 1 720 . 1 1 62 62 ALA HB1 H 1 1.375 0.020 . 1 . . . A 62 ALA HB1 . 30205 1 721 . 1 1 62 62 ALA HB2 H 1 1.375 0.020 . 1 . . . A 62 ALA HB2 . 30205 1 722 . 1 1 62 62 ALA HB3 H 1 1.375 0.020 . 1 . . . A 62 ALA HB3 . 30205 1 723 . 1 1 62 62 ALA C C 13 179.467 0.3 . 1 . . . A 62 ALA C . 30205 1 724 . 1 1 62 62 ALA CA C 13 55.079 0.3 . 1 . . . A 62 ALA CA . 30205 1 725 . 1 1 62 62 ALA CB C 13 19.367 0.3 . 1 . . . A 62 ALA CB . 30205 1 726 . 1 1 62 62 ALA N N 15 121.080 0.3 . 1 . . . A 62 ALA N . 30205 1 727 . 1 1 63 63 THR H H 1 8.036 0.020 . 1 . . . A 63 THR H . 30205 1 728 . 1 1 63 63 THR HA H 1 4.020 0.020 . 1 . . . A 63 THR HA . 30205 1 729 . 1 1 63 63 THR HB H 1 4.463 0.020 . 1 . . . A 63 THR HB . 30205 1 730 . 1 1 63 63 THR HG21 H 1 1.345 0.020 . 1 . . . A 63 THR HG21 . 30205 1 731 . 1 1 63 63 THR HG22 H 1 1.345 0.020 . 1 . . . A 63 THR HG22 . 30205 1 732 . 1 1 63 63 THR HG23 H 1 1.345 0.020 . 1 . . . A 63 THR HG23 . 30205 1 733 . 1 1 63 63 THR C C 13 177.248 0.3 . 1 . . . A 63 THR C . 30205 1 734 . 1 1 63 63 THR CA C 13 66.859 0.3 . 1 . . . A 63 THR CA . 30205 1 735 . 1 1 63 63 THR CB C 13 68.640 0.3 . 1 . . . A 63 THR CB . 30205 1 736 . 1 1 63 63 THR CG2 C 13 21.465 0.3 . 1 . . . A 63 THR CG2 . 30205 1 737 . 1 1 63 63 THR N N 15 116.577 0.3 . 1 . . . A 63 THR N . 30205 1 738 . 1 1 64 64 ARG H H 1 7.969 0.020 . 1 . . . A 64 ARG H . 30205 1 739 . 1 1 64 64 ARG HA H 1 4.174 0.020 . 1 . . . A 64 ARG HA . 30205 1 740 . 1 1 64 64 ARG HB2 H 1 2.003 0.020 . 1 . . . A 64 ARG HB2 . 30205 1 741 . 1 1 64 64 ARG HB3 H 1 2.003 0.020 . 1 . . . A 64 ARG HB3 . 30205 1 742 . 1 1 64 64 ARG HG2 H 1 1.665 0.020 . 2 . . . A 64 ARG HG2 . 30205 1 743 . 1 1 64 64 ARG HG3 H 1 1.872 0.020 . 2 . . . A 64 ARG HG3 . 30205 1 744 . 1 1 64 64 ARG HD2 H 1 3.173 0.020 . 1 . . . A 64 ARG HD2 . 30205 1 745 . 1 1 64 64 ARG HD3 H 1 3.173 0.020 . 1 . . . A 64 ARG HD3 . 30205 1 746 . 1 1 64 64 ARG C C 13 179.112 0.3 . 1 . . . A 64 ARG C . 30205 1 747 . 1 1 64 64 ARG CA C 13 59.835 0.3 . 1 . . . A 64 ARG CA . 30205 1 748 . 1 1 64 64 ARG CB C 13 29.820 0.3 . 1 . . . A 64 ARG CB . 30205 1 749 . 1 1 64 64 ARG CG C 13 27.232 0.3 . 1 . . . A 64 ARG CG . 30205 1 750 . 1 1 64 64 ARG CD C 13 43.818 0.3 . 1 . . . A 64 ARG CD . 30205 1 751 . 1 1 64 64 ARG N N 15 124.449 0.3 . 1 . . . A 64 ARG N . 30205 1 752 . 1 1 65 65 LEU H H 1 8.564 0.020 . 1 . . . A 65 LEU H . 30205 1 753 . 1 1 65 65 LEU HA H 1 4.088 0.020 . 1 . . . A 65 LEU HA . 30205 1 754 . 1 1 65 65 LEU HB2 H 1 1.464 0.020 . 2 . . . A 65 LEU HB2 . 30205 1 755 . 1 1 65 65 LEU HB3 H 1 2.022 0.020 . 2 . . . A 65 LEU HB3 . 30205 1 756 . 1 1 65 65 LEU HG H 1 1.507 0.020 . 1 . . . A 65 LEU HG . 30205 1 757 . 1 1 65 65 LEU HD11 H 1 0.544 0.020 . 2 . . . A 65 LEU HD11 . 30205 1 758 . 1 1 65 65 LEU HD12 H 1 0.544 0.020 . 2 . . . A 65 LEU HD12 . 30205 1 759 . 1 1 65 65 LEU HD13 H 1 0.544 0.020 . 2 . . . A 65 LEU HD13 . 30205 1 760 . 1 1 65 65 LEU HD21 H 1 1.074 0.020 . 2 . . . A 65 LEU HD21 . 30205 1 761 . 1 1 65 65 LEU HD22 H 1 1.074 0.020 . 2 . . . A 65 LEU HD22 . 30205 1 762 . 1 1 65 65 LEU HD23 H 1 1.074 0.020 . 2 . . . A 65 LEU HD23 . 30205 1 763 . 1 1 65 65 LEU C C 13 178.335 0.3 . 1 . . . A 65 LEU C . 30205 1 764 . 1 1 65 65 LEU CA C 13 57.977 0.3 . 1 . . . A 65 LEU CA . 30205 1 765 . 1 1 65 65 LEU CB C 13 40.368 0.3 . 1 . . . A 65 LEU CB . 30205 1 766 . 1 1 65 65 LEU CG C 13 27.097 0.3 . 1 . . . A 65 LEU CG . 30205 1 767 . 1 1 65 65 LEU CD1 C 13 27.937 0.3 . 1 . . . A 65 LEU CD1 . 30205 1 768 . 1 1 65 65 LEU CD2 C 13 24.504 0.3 . 1 . . . A 65 LEU CD2 . 30205 1 769 . 1 1 65 65 LEU N N 15 120.049 0.3 . 1 . . . A 65 LEU N . 30205 1 770 . 1 1 66 66 THR H H 1 8.180 0.020 . 1 . . . A 66 THR H . 30205 1 771 . 1 1 66 66 THR HA H 1 4.231 0.020 . 1 . . . A 66 THR HA . 30205 1 772 . 1 1 66 66 THR HB H 1 3.682 0.020 . 1 . . . A 66 THR HB . 30205 1 773 . 1 1 66 66 THR HG21 H 1 1.090 0.020 . 1 . . . A 66 THR HG21 . 30205 1 774 . 1 1 66 66 THR HG22 H 1 1.090 0.020 . 1 . . . A 66 THR HG22 . 30205 1 775 . 1 1 66 66 THR HG23 H 1 1.090 0.020 . 1 . . . A 66 THR HG23 . 30205 1 776 . 1 1 66 66 THR C C 13 177.042 0.3 . 1 . . . A 66 THR C . 30205 1 777 . 1 1 66 66 THR CA C 13 67.781 0.3 . 1 . . . A 66 THR CA . 30205 1 778 . 1 1 66 66 THR CB C 13 67.505 0.3 . 1 . . . A 66 THR CB . 30205 1 779 . 1 1 66 66 THR CG2 C 13 21.436 0.3 . 1 . . . A 66 THR CG2 . 30205 1 780 . 1 1 66 66 THR N N 15 112.689 0.3 . 1 . . . A 66 THR N . 30205 1 781 . 1 1 67 67 GLY H H 1 7.894 0.020 . 1 . . . A 67 GLY H . 30205 1 782 . 1 1 67 67 GLY HA2 H 1 4.099 0.020 . 2 . . . A 67 GLY HA2 . 30205 1 783 . 1 1 67 67 GLY HA3 H 1 4.028 0.020 . 2 . . . A 67 GLY HA3 . 30205 1 784 . 1 1 67 67 GLY C C 13 176.916 0.3 . 1 . . . A 67 GLY C . 30205 1 785 . 1 1 67 67 GLY CA C 13 47.523 0.3 . 1 . . . A 67 GLY CA . 30205 1 786 . 1 1 67 67 GLY N N 15 109.241 0.3 . 1 . . . A 67 GLY N . 30205 1 787 . 1 1 68 68 GLN H H 1 8.229 0.020 . 1 . . . A 68 GLN H . 30205 1 788 . 1 1 68 68 GLN HA H 1 4.187 0.020 . 1 . . . A 68 GLN HA . 30205 1 789 . 1 1 68 68 GLN HB2 H 1 2.444 0.020 . 2 . . . A 68 GLN HB2 . 30205 1 790 . 1 1 68 68 GLN HB3 H 1 2.091 0.020 . 2 . . . A 68 GLN HB3 . 30205 1 791 . 1 1 68 68 GLN HG2 H 1 2.464 0.020 . 2 . . . A 68 GLN HG2 . 30205 1 792 . 1 1 68 68 GLN HG3 H 1 2.634 0.020 . 2 . . . A 68 GLN HG3 . 30205 1 793 . 1 1 68 68 GLN C C 13 180.485 0.3 . 1 . . . A 68 GLN C . 30205 1 794 . 1 1 68 68 GLN CA C 13 59.352 0.3 . 1 . . . A 68 GLN CA . 30205 1 795 . 1 1 68 68 GLN CB C 13 28.609 0.3 . 1 . . . A 68 GLN CB . 30205 1 796 . 1 1 68 68 GLN CG C 13 34.533 0.3 . 1 . . . A 68 GLN CG . 30205 1 797 . 1 1 68 68 GLN N N 15 122.476 0.3 . 1 . . . A 68 GLN N . 30205 1 798 . 1 1 69 69 LEU H H 1 8.718 0.020 . 1 . . . A 69 LEU H . 30205 1 799 . 1 1 69 69 LEU HA H 1 4.175 0.020 . 1 . . . A 69 LEU HA . 30205 1 800 . 1 1 69 69 LEU HB2 H 1 1.362 0.020 . 2 . . . A 69 LEU HB2 . 30205 1 801 . 1 1 69 69 LEU HB3 H 1 2.038 0.020 . 2 . . . A 69 LEU HB3 . 30205 1 802 . 1 1 69 69 LEU HG H 1 1.806 0.020 . 1 . . . A 69 LEU HG . 30205 1 803 . 1 1 69 69 LEU HD11 H 1 0.643 0.020 . 2 . . . A 69 LEU HD11 . 30205 1 804 . 1 1 69 69 LEU HD12 H 1 0.643 0.020 . 2 . . . A 69 LEU HD12 . 30205 1 805 . 1 1 69 69 LEU HD13 H 1 0.643 0.020 . 2 . . . A 69 LEU HD13 . 30205 1 806 . 1 1 69 69 LEU HD21 H 1 0.960 0.020 . 2 . . . A 69 LEU HD21 . 30205 1 807 . 1 1 69 69 LEU HD22 H 1 0.960 0.020 . 2 . . . A 69 LEU HD22 . 30205 1 808 . 1 1 69 69 LEU HD23 H 1 0.960 0.020 . 2 . . . A 69 LEU HD23 . 30205 1 809 . 1 1 69 69 LEU C C 13 179.067 0.3 . 1 . . . A 69 LEU C . 30205 1 810 . 1 1 69 69 LEU CA C 13 58.097 0.3 . 1 . . . A 69 LEU CA . 30205 1 811 . 1 1 69 69 LEU CB C 13 40.932 0.3 . 1 . . . A 69 LEU CB . 30205 1 812 . 1 1 69 69 LEU CG C 13 27.287 0.3 . 1 . . . A 69 LEU CG . 30205 1 813 . 1 1 69 69 LEU CD1 C 13 23.272 0.3 . 1 . . . A 69 LEU CD1 . 30205 1 814 . 1 1 69 69 LEU CD2 C 13 27.338 0.3 . 1 . . . A 69 LEU CD2 . 30205 1 815 . 1 1 69 69 LEU N N 15 121.005 0.3 . 1 . . . A 69 LEU N . 30205 1 816 . 1 1 70 70 HIS H H 1 8.315 0.020 . 1 . . . A 70 HIS H . 30205 1 817 . 1 1 70 70 HIS HA H 1 5.086 0.020 . 1 . . . A 70 HIS HA . 30205 1 818 . 1 1 70 70 HIS HB2 H 1 3.512 0.020 . 2 . . . A 70 HIS HB2 . 30205 1 819 . 1 1 70 70 HIS HB3 H 1 3.611 0.020 . 2 . . . A 70 HIS HB3 . 30205 1 820 . 1 1 70 70 HIS HD2 H 1 7.535 0.020 . 1 . . . A 70 HIS HD2 . 30205 1 821 . 1 1 70 70 HIS HE1 H 1 8.569 0.020 . 1 . . . A 70 HIS HE1 . 30205 1 822 . 1 1 70 70 HIS C C 13 180.176 0.3 . 1 . . . A 70 HIS C . 30205 1 823 . 1 1 70 70 HIS CA C 13 58.292 0.3 . 1 . . . A 70 HIS CA . 30205 1 824 . 1 1 70 70 HIS CB C 13 28.455 0.3 . 1 . . . A 70 HIS CB . 30205 1 825 . 1 1 70 70 HIS CD2 C 13 119.300 0.3 . 1 . . . A 70 HIS CD2 . 30205 1 826 . 1 1 70 70 HIS CE1 C 13 136.754 0.3 . 1 . . . A 70 HIS CE1 . 30205 1 827 . 1 1 70 70 HIS N N 15 120.061 0.3 . 1 . . . A 70 HIS N . 30205 1 828 . 1 1 71 71 GLN H H 1 8.111 0.020 . 1 . . . A 71 GLN H . 30205 1 829 . 1 1 71 71 GLN HA H 1 4.102 0.020 . 1 . . . A 71 GLN HA . 30205 1 830 . 1 1 71 71 GLN HB2 H 1 2.292 0.020 . 1 . . . A 71 GLN HB2 . 30205 1 831 . 1 1 71 71 GLN HB3 H 1 2.292 0.020 . 1 . . . A 71 GLN HB3 . 30205 1 832 . 1 1 71 71 GLN HG2 H 1 2.641 0.020 . 2 . . . A 71 GLN HG2 . 30205 1 833 . 1 1 71 71 GLN HG3 H 1 2.554 0.020 . 2 . . . A 71 GLN HG3 . 30205 1 834 . 1 1 71 71 GLN C C 13 176.768 0.3 . 1 . . . A 71 GLN C . 30205 1 835 . 1 1 71 71 GLN CA C 13 58.551 0.3 . 1 . . . A 71 GLN CA . 30205 1 836 . 1 1 71 71 GLN CB C 13 28.560 0.3 . 1 . . . A 71 GLN CB . 30205 1 837 . 1 1 71 71 GLN CG C 13 34.249 0.3 . 1 . . . A 71 GLN CG . 30205 1 838 . 1 1 71 71 GLN N N 15 120.111 0.3 . 1 . . . A 71 GLN N . 30205 1 839 . 1 1 72 72 ALA H H 1 7.589 0.020 . 1 . . . A 72 ALA H . 30205 1 840 . 1 1 72 72 ALA HA H 1 4.471 0.020 . 1 . . . A 72 ALA HA . 30205 1 841 . 1 1 72 72 ALA HB1 H 1 1.686 0.020 . 1 . . . A 72 ALA HB1 . 30205 1 842 . 1 1 72 72 ALA HB2 H 1 1.686 0.020 . 1 . . . A 72 ALA HB2 . 30205 1 843 . 1 1 72 72 ALA HB3 H 1 1.686 0.020 . 1 . . . A 72 ALA HB3 . 30205 1 844 . 1 1 72 72 ALA C C 13 176.367 0.3 . 1 . . . A 72 ALA C . 30205 1 845 . 1 1 72 72 ALA CA C 13 51.876 0.3 . 1 . . . A 72 ALA CA . 30205 1 846 . 1 1 72 72 ALA CB C 13 18.434 0.3 . 1 . . . A 72 ALA CB . 30205 1 847 . 1 1 72 72 ALA N N 15 119.701 0.3 . 1 . . . A 72 ALA N . 30205 1 848 . 1 1 73 73 GLY H H 1 7.725 0.020 . 1 . . . A 73 GLY H . 30205 1 849 . 1 1 73 73 GLY HA2 H 1 3.652 0.020 . 2 . . . A 73 GLY HA2 . 30205 1 850 . 1 1 73 73 GLY HA3 H 1 4.075 0.020 . 2 . . . A 73 GLY HA3 . 30205 1 851 . 1 1 73 73 GLY C C 13 173.909 0.3 . 1 . . . A 73 GLY C . 30205 1 852 . 1 1 73 73 GLY CA C 13 45.397 0.3 . 1 . . . A 73 GLY CA . 30205 1 853 . 1 1 73 73 GLY N N 15 104.997 0.3 . 1 . . . A 73 GLY N . 30205 1 854 . 1 1 74 74 TYR H H 1 8.254 0.020 . 1 . . . A 74 TYR H . 30205 1 855 . 1 1 74 74 TYR HA H 1 5.040 0.020 . 1 . . . A 74 TYR HA . 30205 1 856 . 1 1 74 74 TYR HB2 H 1 2.502 0.020 . 2 . . . A 74 TYR HB2 . 30205 1 857 . 1 1 74 74 TYR HB3 H 1 2.772 0.020 . 2 . . . A 74 TYR HB3 . 30205 1 858 . 1 1 74 74 TYR HD1 H 1 6.851 0.020 . 1 . . . A 74 TYR HD1 . 30205 1 859 . 1 1 74 74 TYR HD2 H 1 6.851 0.020 . 1 . . . A 74 TYR HD2 . 30205 1 860 . 1 1 74 74 TYR HE1 H 1 6.579 0.020 . 1 . . . A 74 TYR HE1 . 30205 1 861 . 1 1 74 74 TYR HE2 H 1 6.579 0.020 . 1 . . . A 74 TYR HE2 . 30205 1 862 . 1 1 74 74 TYR C C 13 176.127 0.3 . 1 . . . A 74 TYR C . 30205 1 863 . 1 1 74 74 TYR CA C 13 57.635 0.3 . 1 . . . A 74 TYR CA . 30205 1 864 . 1 1 74 74 TYR CB C 13 40.817 0.3 . 1 . . . A 74 TYR CB . 30205 1 865 . 1 1 74 74 TYR CD1 C 13 132.962 0.3 . 1 . . . A 74 TYR CD1 . 30205 1 866 . 1 1 74 74 TYR CE1 C 13 117.540 0.3 . 1 . . . A 74 TYR CE1 . 30205 1 867 . 1 1 74 74 TYR N N 15 118.297 0.3 . 1 . . . A 74 TYR N . 30205 1 868 . 1 1 75 75 GLU H H 1 9.043 0.020 . 1 . . . A 75 GLU H . 30205 1 869 . 1 1 75 75 GLU HA H 1 4.454 0.020 . 1 . . . A 75 GLU HA . 30205 1 870 . 1 1 75 75 GLU HB2 H 1 1.865 0.020 . 2 . . . A 75 GLU HB2 . 30205 1 871 . 1 1 75 75 GLU HB3 H 1 2.058 0.020 . 2 . . . A 75 GLU HB3 . 30205 1 872 . 1 1 75 75 GLU HG2 H 1 2.196 0.020 . 2 . . . A 75 GLU HG2 . 30205 1 873 . 1 1 75 75 GLU HG3 H 1 2.259 0.020 . 2 . . . A 75 GLU HG3 . 30205 1 874 . 1 1 75 75 GLU C C 13 175.590 0.3 . 1 . . . A 75 GLU C . 30205 1 875 . 1 1 75 75 GLU CA C 13 55.292 0.3 . 1 . . . A 75 GLU CA . 30205 1 876 . 1 1 75 75 GLU CB C 13 29.623 0.3 . 1 . . . A 75 GLU CB . 30205 1 877 . 1 1 75 75 GLU CG C 13 35.771 0.3 . 1 . . . A 75 GLU CG . 30205 1 878 . 1 1 75 75 GLU N N 15 122.316 0.3 . 1 . . . A 75 GLU N . 30205 1 879 . 1 1 76 76 ALA H H 1 8.122 0.020 . 1 . . . A 76 ALA H . 30205 1 880 . 1 1 76 76 ALA HA H 1 4.719 0.020 . 1 . . . A 76 ALA HA . 30205 1 881 . 1 1 76 76 ALA HB1 H 1 1.321 0.020 . 1 . . . A 76 ALA HB1 . 30205 1 882 . 1 1 76 76 ALA HB2 H 1 1.321 0.020 . 1 . . . A 76 ALA HB2 . 30205 1 883 . 1 1 76 76 ALA HB3 H 1 1.321 0.020 . 1 . . . A 76 ALA HB3 . 30205 1 884 . 1 1 76 76 ALA C C 13 176.184 0.3 . 1 . . . A 76 ALA C . 30205 1 885 . 1 1 76 76 ALA CA C 13 51.476 0.3 . 1 . . . A 76 ALA CA . 30205 1 886 . 1 1 76 76 ALA CB C 13 23.016 0.3 . 1 . . . A 76 ALA CB . 30205 1 887 . 1 1 76 76 ALA N N 15 125.200 0.3 . 1 . . . A 76 ALA N . 30205 1 888 . 1 1 77 77 GLN H H 1 8.988 0.020 . 1 . . . A 77 GLN H . 30205 1 889 . 1 1 77 77 GLN HA H 1 4.875 0.020 . 1 . . . A 77 GLN HA . 30205 1 890 . 1 1 77 77 GLN HB2 H 1 2.053 0.020 . 2 . . . A 77 GLN HB2 . 30205 1 891 . 1 1 77 77 GLN HB3 H 1 2.308 0.020 . 2 . . . A 77 GLN HB3 . 30205 1 892 . 1 1 77 77 GLN HG2 H 1 2.422 0.020 . 2 . . . A 77 GLN HG2 . 30205 1 893 . 1 1 77 77 GLN HG3 H 1 2.497 0.020 . 2 . . . A 77 GLN HG3 . 30205 1 894 . 1 1 77 77 GLN C C 13 177.008 0.3 . 1 . . . A 77 GLN C . 30205 1 895 . 1 1 77 77 GLN CA C 13 53.741 0.3 . 1 . . . A 77 GLN CA . 30205 1 896 . 1 1 77 77 GLN CB C 13 30.700 0.3 . 1 . . . A 77 GLN CB . 30205 1 897 . 1 1 77 77 GLN CG C 13 33.541 0.3 . 1 . . . A 77 GLN CG . 30205 1 898 . 1 1 77 77 GLN N N 15 120.024 0.3 . 1 . . . A 77 GLN N . 30205 1 899 . 1 1 78 78 LEU H H 1 9.112 0.020 . 1 . . . A 78 LEU H . 30205 1 900 . 1 1 78 78 LEU HA H 1 3.905 0.020 . 1 . . . A 78 LEU HA . 30205 1 901 . 1 1 78 78 LEU HB2 H 1 1.735 0.020 . 1 . . . A 78 LEU HB2 . 30205 1 902 . 1 1 78 78 LEU HB3 H 1 1.735 0.020 . 1 . . . A 78 LEU HB3 . 30205 1 903 . 1 1 78 78 LEU HG H 1 1.648 0.020 . 1 . . . A 78 LEU HG . 30205 1 904 . 1 1 78 78 LEU HD11 H 1 0.898 0.020 . 1 . . . A 78 LEU HD11 . 30205 1 905 . 1 1 78 78 LEU HD12 H 1 0.898 0.020 . 1 . . . A 78 LEU HD12 . 30205 1 906 . 1 1 78 78 LEU HD13 H 1 0.898 0.020 . 1 . . . A 78 LEU HD13 . 30205 1 907 . 1 1 78 78 LEU HD21 H 1 0.898 0.020 . 1 . . . A 78 LEU HD21 . 30205 1 908 . 1 1 78 78 LEU HD22 H 1 0.898 0.020 . 1 . . . A 78 LEU HD22 . 30205 1 909 . 1 1 78 78 LEU HD23 H 1 0.898 0.020 . 1 . . . A 78 LEU HD23 . 30205 1 910 . 1 1 78 78 LEU C C 13 179.009 0.3 . 1 . . . A 78 LEU C . 30205 1 911 . 1 1 78 78 LEU CA C 13 58.690 0.3 . 1 . . . A 78 LEU CA . 30205 1 912 . 1 1 78 78 LEU CB C 13 42.057 0.3 . 1 . . . A 78 LEU CB . 30205 1 913 . 1 1 78 78 LEU CG C 13 27.212 0.3 . 1 . . . A 78 LEU CG . 30205 1 914 . 1 1 78 78 LEU CD1 C 13 24.960 0.3 . 1 . . . A 78 LEU CD1 . 30205 1 915 . 1 1 78 78 LEU N N 15 127.684 0.3 . 1 . . . A 78 LEU N . 30205 1 916 . 1 1 79 79 SER H H 1 8.721 0.020 . 1 . . . A 79 SER H . 30205 1 917 . 1 1 79 79 SER HA H 1 4.162 0.020 . 1 . . . A 79 SER HA . 30205 1 918 . 1 1 79 79 SER C C 13 176.573 0.3 . 1 . . . A 79 SER C . 30205 1 919 . 1 1 79 79 SER CA C 13 61.384 0.3 . 1 . . . A 79 SER CA . 30205 1 920 . 1 1 79 79 SER CB C 13 62.188 0.3 . 1 . . . A 79 SER CB . 30205 1 921 . 1 1 79 79 SER N N 15 110.879 0.3 . 1 . . . A 79 SER N . 30205 1 922 . 1 1 80 80 ASP H H 1 7.340 0.020 . 1 . . . A 80 ASP H . 30205 1 923 . 1 1 80 80 ASP HA H 1 4.819 0.020 . 1 . . . A 80 ASP HA . 30205 1 924 . 1 1 80 80 ASP HB2 H 1 2.995 0.020 . 2 . . . A 80 ASP HB2 . 30205 1 925 . 1 1 80 80 ASP HB3 H 1 3.369 0.020 . 2 . . . A 80 ASP HB3 . 30205 1 926 . 1 1 80 80 ASP C C 13 177.774 0.3 . 1 . . . A 80 ASP C . 30205 1 927 . 1 1 80 80 ASP CA C 13 58.007 0.3 . 1 . . . A 80 ASP CA . 30205 1 928 . 1 1 80 80 ASP CB C 13 40.877 0.3 . 1 . . . A 80 ASP CB . 30205 1 929 . 1 1 80 80 ASP N N 15 120.273 0.3 . 1 . . . A 80 ASP N . 30205 1 930 . 1 1 81 81 LEU H H 1 7.348 0.020 . 1 . . . A 81 LEU H . 30205 1 931 . 1 1 81 81 LEU HA H 1 4.073 0.020 . 1 . . . A 81 LEU HA . 30205 1 932 . 1 1 81 81 LEU HB2 H 1 0.808 0.020 . 2 . . . A 81 LEU HB2 . 30205 1 933 . 1 1 81 81 LEU HB3 H 1 1.565 0.020 . 2 . . . A 81 LEU HB3 . 30205 1 934 . 1 1 81 81 LEU HG H 1 0.804 0.020 . 1 . . . A 81 LEU HG . 30205 1 935 . 1 1 81 81 LEU HD11 H 1 -0.517 0.020 . 2 . . . A 81 LEU HD11 . 30205 1 936 . 1 1 81 81 LEU HD12 H 1 -0.517 0.020 . 2 . . . A 81 LEU HD12 . 30205 1 937 . 1 1 81 81 LEU HD13 H 1 -0.517 0.020 . 2 . . . A 81 LEU HD13 . 30205 1 938 . 1 1 81 81 LEU HD21 H 1 -0.371 0.020 . 2 . . . A 81 LEU HD21 . 30205 1 939 . 1 1 81 81 LEU HD22 H 1 -0.371 0.020 . 2 . . . A 81 LEU HD22 . 30205 1 940 . 1 1 81 81 LEU HD23 H 1 -0.371 0.020 . 2 . . . A 81 LEU HD23 . 30205 1 941 . 1 1 81 81 LEU C C 13 177.157 0.3 . 1 . . . A 81 LEU C . 30205 1 942 . 1 1 81 81 LEU CA C 13 56.662 0.3 . 1 . . . A 81 LEU CA . 30205 1 943 . 1 1 81 81 LEU CB C 13 41.168 0.3 . 1 . . . A 81 LEU CB . 30205 1 944 . 1 1 81 81 LEU CG C 13 26.002 0.3 . 1 . . . A 81 LEU CG . 30205 1 945 . 1 1 81 81 LEU CD1 C 13 25.766 0.3 . 1 . . . A 81 LEU CD1 . 30205 1 946 . 1 1 81 81 LEU CD2 C 13 21.272 0.3 . 1 . . . A 81 LEU CD2 . 30205 1 947 . 1 1 81 81 LEU N N 15 120.844 0.3 . 1 . . . A 81 LEU N . 30205 1 948 . 1 1 82 82 PHE H H 1 7.423 0.020 . 1 . . . A 82 PHE H . 30205 1 949 . 1 1 82 82 PHE HA H 1 4.146 0.020 . 1 . . . A 82 PHE HA . 30205 1 950 . 1 1 82 82 PHE HB2 H 1 2.885 0.020 . 2 . . . A 82 PHE HB2 . 30205 1 951 . 1 1 82 82 PHE HB3 H 1 2.971 0.020 . 2 . . . A 82 PHE HB3 . 30205 1 952 . 1 1 82 82 PHE HD1 H 1 7.084 0.020 . 1 . . . A 82 PHE HD1 . 30205 1 953 . 1 1 82 82 PHE HD2 H 1 7.084 0.020 . 1 . . . A 82 PHE HD2 . 30205 1 954 . 1 1 82 82 PHE HE1 H 1 7.152 0.020 . 1 . . . A 82 PHE HE1 . 30205 1 955 . 1 1 82 82 PHE HE2 H 1 7.152 0.020 . 1 . . . A 82 PHE HE2 . 30205 1 956 . 1 1 82 82 PHE C C 13 178.598 0.3 . 1 . . . A 82 PHE C . 30205 1 957 . 1 1 82 82 PHE CA C 13 61.084 0.3 . 1 . . . A 82 PHE CA . 30205 1 958 . 1 1 82 82 PHE CB C 13 38.535 0.3 . 1 . . . A 82 PHE CB . 30205 1 959 . 1 1 82 82 PHE CD1 C 13 131.372 0.3 . 1 . . . A 82 PHE CD1 . 30205 1 960 . 1 1 82 82 PHE CE1 C 13 129.130 0.3 . 1 . . . A 82 PHE CE1 . 30205 1 961 . 1 1 82 82 PHE N N 15 113.227 0.3 . 1 . . . A 82 PHE N . 30205 1 962 . 1 1 83 83 ASN H H 1 8.054 0.020 . 1 . . . A 83 ASN H . 30205 1 963 . 1 1 83 83 ASN HA H 1 4.583 0.020 . 1 . . . A 83 ASN HA . 30205 1 964 . 1 1 83 83 ASN HB2 H 1 2.321 0.020 . 2 . . . A 83 ASN HB2 . 30205 1 965 . 1 1 83 83 ASN HB3 H 1 2.728 0.020 . 2 . . . A 83 ASN HB3 . 30205 1 966 . 1 1 83 83 ASN HD21 H 1 7.681 0.020 . 1 . . . A 83 ASN HD21 . 30205 1 967 . 1 1 83 83 ASN HD22 H 1 6.973 0.020 . 1 . . . A 83 ASN HD22 . 30205 1 968 . 1 1 83 83 ASN C C 13 175.270 0.3 . 1 . . . A 83 ASN C . 30205 1 969 . 1 1 83 83 ASN CA C 13 54.237 0.3 . 1 . . . A 83 ASN CA . 30205 1 970 . 1 1 83 83 ASN CB C 13 39.168 0.3 . 1 . . . A 83 ASN CB . 30205 1 971 . 1 1 83 83 ASN N N 15 113.216 0.3 . 1 . . . A 83 ASN N . 30205 1 972 . 1 1 83 83 ASN ND2 N 15 112.980 0.3 . 1 . . . A 83 ASN ND2 . 30205 1 973 . 1 1 84 84 HIS H H 1 7.643 0.020 . 1 . . . A 84 HIS H . 30205 1 974 . 1 1 84 84 HIS HA H 1 5.221 0.020 . 1 . . . A 84 HIS HA . 30205 1 975 . 1 1 84 84 HIS HB2 H 1 2.768 0.020 . 2 . . . A 84 HIS HB2 . 30205 1 976 . 1 1 84 84 HIS HB3 H 1 3.780 0.020 . 2 . . . A 84 HIS HB3 . 30205 1 977 . 1 1 84 84 HIS HD2 H 1 7.464 0.020 . 1 . . . A 84 HIS HD2 . 30205 1 978 . 1 1 84 84 HIS HE1 H 1 8.602 0.020 . 1 . . . A 84 HIS HE1 . 30205 1 979 . 1 1 84 84 HIS C C 13 180.885 0.3 . 1 . . . A 84 HIS C . 30205 1 980 . 1 1 84 84 HIS CA C 13 52.939 0.3 . 1 . . . A 84 HIS CA . 30205 1 981 . 1 1 84 84 HIS CB C 13 27.785 0.3 . 1 . . . A 84 HIS CB . 30205 1 982 . 1 1 84 84 HIS CD2 C 13 121.000 0.3 . 1 . . . A 84 HIS CD2 . 30205 1 983 . 1 1 84 84 HIS CE1 C 13 136.522 0.3 . 1 . . . A 84 HIS CE1 . 30205 1 984 . 1 1 84 84 HIS N N 15 117.846 0.3 . 1 . . . A 84 HIS N . 30205 1 985 . 1 1 85 85 PRO HA H 1 4.738 0.020 . 1 . . . A 85 PRO HA . 30205 1 986 . 1 1 85 85 PRO HB2 H 1 2.492 0.020 . 1 . . . A 85 PRO HB2 . 30205 1 987 . 1 1 85 85 PRO HB3 H 1 2.492 0.020 . 1 . . . A 85 PRO HB3 . 30205 1 988 . 1 1 85 85 PRO HG2 H 1 2.067 0.020 . 2 . . . A 85 PRO HG2 . 30205 1 989 . 1 1 85 85 PRO HG3 H 1 2.191 0.020 . 2 . . . A 85 PRO HG3 . 30205 1 990 . 1 1 85 85 PRO HD2 H 1 3.671 0.020 . 2 . . . A 85 PRO HD2 . 30205 1 991 . 1 1 85 85 PRO HD3 H 1 3.396 0.020 . 2 . . . A 85 PRO HD3 . 30205 1 992 . 1 1 85 85 PRO C C 13 177.626 0.3 . 1 . . . A 85 PRO C . 30205 1 993 . 1 1 85 85 PRO CA C 13 64.880 0.3 . 1 . . . A 85 PRO CA . 30205 1 994 . 1 1 85 85 PRO CB C 13 33.108 0.3 . 1 . . . A 85 PRO CB . 30205 1 995 . 1 1 85 85 PRO CG C 13 27.676 0.3 . 1 . . . A 85 PRO CG . 30205 1 996 . 1 1 85 85 PRO CD C 13 49.483 0.3 . 1 . . . A 85 PRO CD . 30205 1 997 . 1 1 86 86 ARG H H 1 7.877 0.020 . 1 . . . A 86 ARG H . 30205 1 998 . 1 1 86 86 ARG HA H 1 5.309 0.020 . 1 . . . A 86 ARG HA . 30205 1 999 . 1 1 86 86 ARG HB2 H 1 1.888 0.020 . 2 . . . A 86 ARG HB2 . 30205 1 1000 . 1 1 86 86 ARG HB3 H 1 2.053 0.020 . 2 . . . A 86 ARG HB3 . 30205 1 1001 . 1 1 86 86 ARG HG2 H 1 1.562 0.020 . 2 . . . A 86 ARG HG2 . 30205 1 1002 . 1 1 86 86 ARG HG3 H 1 1.842 0.020 . 2 . . . A 86 ARG HG3 . 30205 1 1003 . 1 1 86 86 ARG HD2 H 1 3.338 0.020 . 2 . . . A 86 ARG HD2 . 30205 1 1004 . 1 1 86 86 ARG HD3 H 1 3.375 0.020 . 2 . . . A 86 ARG HD3 . 30205 1 1005 . 1 1 86 86 ARG C C 13 178.872 0.3 . 1 . . . A 86 ARG C . 30205 1 1006 . 1 1 86 86 ARG CA C 13 55.322 0.3 . 1 . . . A 86 ARG CA . 30205 1 1007 . 1 1 86 86 ARG CB C 13 31.503 0.3 . 1 . . . A 86 ARG CB . 30205 1 1008 . 1 1 86 86 ARG CG C 13 28.730 0.3 . 1 . . . A 86 ARG CG . 30205 1 1009 . 1 1 86 86 ARG CD C 13 43.969 0.3 . 1 . . . A 86 ARG CD . 30205 1 1010 . 1 1 86 86 ARG N N 15 118.993 0.3 . 1 . . . A 86 ARG N . 30205 1 1011 . 1 1 87 87 LEU H H 1 8.627 0.020 . 1 . . . A 87 LEU H . 30205 1 1012 . 1 1 87 87 LEU HA H 1 3.513 0.020 . 1 . . . A 87 LEU HA . 30205 1 1013 . 1 1 87 87 LEU HB2 H 1 1.318 0.020 . 2 . . . A 87 LEU HB2 . 30205 1 1014 . 1 1 87 87 LEU HB3 H 1 1.743 0.020 . 2 . . . A 87 LEU HB3 . 30205 1 1015 . 1 1 87 87 LEU HG H 1 0.810 0.020 . 1 . . . A 87 LEU HG . 30205 1 1016 . 1 1 87 87 LEU HD11 H 1 0.336 0.020 . 2 . . . A 87 LEU HD11 . 30205 1 1017 . 1 1 87 87 LEU HD12 H 1 0.336 0.020 . 2 . . . A 87 LEU HD12 . 30205 1 1018 . 1 1 87 87 LEU HD13 H 1 0.336 0.020 . 2 . . . A 87 LEU HD13 . 30205 1 1019 . 1 1 87 87 LEU HD21 H 1 0.078 0.020 . 2 . . . A 87 LEU HD21 . 30205 1 1020 . 1 1 87 87 LEU HD22 H 1 0.078 0.020 . 2 . . . A 87 LEU HD22 . 30205 1 1021 . 1 1 87 87 LEU HD23 H 1 0.078 0.020 . 2 . . . A 87 LEU HD23 . 30205 1 1022 . 1 1 87 87 LEU C C 13 178.506 0.3 . 1 . . . A 87 LEU C . 30205 1 1023 . 1 1 87 87 LEU CA C 13 60.934 0.3 . 1 . . . A 87 LEU CA . 30205 1 1024 . 1 1 87 87 LEU CB C 13 40.205 0.3 . 1 . . . A 87 LEU CB . 30205 1 1025 . 1 1 87 87 LEU CG C 13 27.629 0.3 . 1 . . . A 87 LEU CG . 30205 1 1026 . 1 1 87 87 LEU CD1 C 13 23.493 0.3 . 1 . . . A 87 LEU CD1 . 30205 1 1027 . 1 1 87 87 LEU CD2 C 13 24.658 0.3 . 1 . . . A 87 LEU CD2 . 30205 1 1028 . 1 1 87 87 LEU N N 15 125.941 0.3 . 1 . . . A 87 LEU N . 30205 1 1029 . 1 1 88 88 ALA H H 1 8.592 0.020 . 1 . . . A 88 ALA H . 30205 1 1030 . 1 1 88 88 ALA HA H 1 3.726 0.020 . 1 . . . A 88 ALA HA . 30205 1 1031 . 1 1 88 88 ALA HB1 H 1 1.356 0.020 . 1 . . . A 88 ALA HB1 . 30205 1 1032 . 1 1 88 88 ALA HB2 H 1 1.356 0.020 . 1 . . . A 88 ALA HB2 . 30205 1 1033 . 1 1 88 88 ALA HB3 H 1 1.356 0.020 . 1 . . . A 88 ALA HB3 . 30205 1 1034 . 1 1 88 88 ALA C C 13 179.890 0.3 . 1 . . . A 88 ALA C . 30205 1 1035 . 1 1 88 88 ALA CA C 13 56.005 0.3 . 1 . . . A 88 ALA CA . 30205 1 1036 . 1 1 88 88 ALA CB C 13 18.147 0.3 . 1 . . . A 88 ALA CB . 30205 1 1037 . 1 1 88 88 ALA N N 15 117.848 0.3 . 1 . . . A 88 ALA N . 30205 1 1038 . 1 1 89 89 ASP H H 1 7.293 0.020 . 1 . . . A 89 ASP H . 30205 1 1039 . 1 1 89 89 ASP HA H 1 4.422 0.020 . 1 . . . A 89 ASP HA . 30205 1 1040 . 1 1 89 89 ASP HB2 H 1 2.825 0.020 . 2 . . . A 89 ASP HB2 . 30205 1 1041 . 1 1 89 89 ASP HB3 H 1 2.903 0.020 . 2 . . . A 89 ASP HB3 . 30205 1 1042 . 1 1 89 89 ASP C C 13 178.014 0.3 . 1 . . . A 89 ASP C . 30205 1 1043 . 1 1 89 89 ASP CA C 13 56.513 0.3 . 1 . . . A 89 ASP CA . 30205 1 1044 . 1 1 89 89 ASP CB C 13 41.122 0.3 . 1 . . . A 89 ASP CB . 30205 1 1045 . 1 1 89 89 ASP N N 15 117.028 0.3 . 1 . . . A 89 ASP N . 30205 1 1046 . 1 1 90 90 PHE H H 1 9.088 0.020 . 1 . . . A 90 PHE H . 30205 1 1047 . 1 1 90 90 PHE HA H 1 4.296 0.020 . 1 . . . A 90 PHE HA . 30205 1 1048 . 1 1 90 90 PHE HB2 H 1 2.776 0.020 . 2 . . . A 90 PHE HB2 . 30205 1 1049 . 1 1 90 90 PHE HB3 H 1 4.656 0.020 . 2 . . . A 90 PHE HB3 . 30205 1 1050 . 1 1 90 90 PHE HD1 H 1 7.058 0.020 . 1 . . . A 90 PHE HD1 . 30205 1 1051 . 1 1 90 90 PHE HD2 H 1 7.058 0.020 . 1 . . . A 90 PHE HD2 . 30205 1 1052 . 1 1 90 90 PHE HE1 H 1 6.901 0.020 . 1 . . . A 90 PHE HE1 . 30205 1 1053 . 1 1 90 90 PHE HE2 H 1 6.901 0.020 . 1 . . . A 90 PHE HE2 . 30205 1 1054 . 1 1 90 90 PHE C C 13 179.730 0.3 . 1 . . . A 90 PHE C . 30205 1 1055 . 1 1 90 90 PHE CA C 13 61.254 0.3 . 1 . . . A 90 PHE CA . 30205 1 1056 . 1 1 90 90 PHE CB C 13 38.363 0.3 . 1 . . . A 90 PHE CB . 30205 1 1057 . 1 1 90 90 PHE CD1 C 13 131.113 0.3 . 1 . . . A 90 PHE CD1 . 30205 1 1058 . 1 1 90 90 PHE CE1 C 13 129.111 0.3 . 1 . . . A 90 PHE CE1 . 30205 1 1059 . 1 1 90 90 PHE N N 15 121.947 0.3 . 1 . . . A 90 PHE N . 30205 1 1060 . 1 1 91 91 ALA H H 1 9.165 0.020 . 1 . . . A 91 ALA H . 30205 1 1061 . 1 1 91 91 ALA HA H 1 3.425 0.020 . 1 . . . A 91 ALA HA . 30205 1 1062 . 1 1 91 91 ALA HB1 H 1 1.237 0.020 . 1 . . . A 91 ALA HB1 . 30205 1 1063 . 1 1 91 91 ALA HB2 H 1 1.237 0.020 . 1 . . . A 91 ALA HB2 . 30205 1 1064 . 1 1 91 91 ALA HB3 H 1 1.237 0.020 . 1 . . . A 91 ALA HB3 . 30205 1 1065 . 1 1 91 91 ALA C C 13 178.049 0.3 . 1 . . . A 91 ALA C . 30205 1 1066 . 1 1 91 91 ALA CA C 13 54.749 0.3 . 1 . . . A 91 ALA CA . 30205 1 1067 . 1 1 91 91 ALA CB C 13 18.219 0.3 . 1 . . . A 91 ALA CB . 30205 1 1068 . 1 1 91 91 ALA N N 15 121.142 0.3 . 1 . . . A 91 ALA N . 30205 1 1069 . 1 1 92 92 ALA H H 1 7.006 0.020 . 1 . . . A 92 ALA H . 30205 1 1070 . 1 1 92 92 ALA HA H 1 4.173 0.020 . 1 . . . A 92 ALA HA . 30205 1 1071 . 1 1 92 92 ALA HB1 H 1 1.498 0.020 . 1 . . . A 92 ALA HB1 . 30205 1 1072 . 1 1 92 92 ALA HB2 H 1 1.498 0.020 . 1 . . . A 92 ALA HB2 . 30205 1 1073 . 1 1 92 92 ALA HB3 H 1 1.498 0.020 . 1 . . . A 92 ALA HB3 . 30205 1 1074 . 1 1 92 92 ALA C C 13 178.369 0.3 . 1 . . . A 92 ALA C . 30205 1 1075 . 1 1 92 92 ALA CA C 13 53.551 0.3 . 1 . . . A 92 ALA CA . 30205 1 1076 . 1 1 92 92 ALA CB C 13 18.062 0.3 . 1 . . . A 92 ALA CB . 30205 1 1077 . 1 1 92 92 ALA N N 15 116.380 0.3 . 1 . . . A 92 ALA N . 30205 1 1078 . 1 1 93 93 THR H H 1 7.595 0.020 . 1 . . . A 93 THR H . 30205 1 1079 . 1 1 93 93 THR HA H 1 4.200 0.020 . 1 . . . A 93 THR HA . 30205 1 1080 . 1 1 93 93 THR HB H 1 4.177 0.020 . 1 . . . A 93 THR HB . 30205 1 1081 . 1 1 93 93 THR HG21 H 1 1.106 0.020 . 1 . . . A 93 THR HG21 . 30205 1 1082 . 1 1 93 93 THR HG22 H 1 1.106 0.020 . 1 . . . A 93 THR HG22 . 30205 1 1083 . 1 1 93 93 THR HG23 H 1 1.106 0.020 . 1 . . . A 93 THR HG23 . 30205 1 1084 . 1 1 93 93 THR C C 13 174.961 0.3 . 1 . . . A 93 THR C . 30205 1 1085 . 1 1 93 93 THR CA C 13 62.514 0.3 . 1 . . . A 93 THR CA . 30205 1 1086 . 1 1 93 93 THR CB C 13 69.950 0.3 . 1 . . . A 93 THR CB . 30205 1 1087 . 1 1 93 93 THR CG2 C 13 21.206 0.3 . 1 . . . A 93 THR CG2 . 30205 1 1088 . 1 1 93 93 THR N N 15 108.661 0.3 . 1 . . . A 93 THR N . 30205 1 1089 . 1 1 94 94 LEU H H 1 6.807 0.020 . 1 . . . A 94 LEU H . 30205 1 1090 . 1 1 94 94 LEU HA H 1 4.231 0.020 . 1 . . . A 94 LEU HA . 30205 1 1091 . 1 1 94 94 LEU HB2 H 1 1.059 0.020 . 2 . . . A 94 LEU HB2 . 30205 1 1092 . 1 1 94 94 LEU HB3 H 1 1.677 0.020 . 2 . . . A 94 LEU HB3 . 30205 1 1093 . 1 1 94 94 LEU HG H 1 1.247 0.020 . 1 . . . A 94 LEU HG . 30205 1 1094 . 1 1 94 94 LEU HD11 H 1 0.114 0.020 . 2 . . . A 94 LEU HD11 . 30205 1 1095 . 1 1 94 94 LEU HD12 H 1 0.114 0.020 . 2 . . . A 94 LEU HD12 . 30205 1 1096 . 1 1 94 94 LEU HD13 H 1 0.114 0.020 . 2 . . . A 94 LEU HD13 . 30205 1 1097 . 1 1 94 94 LEU HD21 H 1 0.377 0.020 . 2 . . . A 94 LEU HD21 . 30205 1 1098 . 1 1 94 94 LEU HD22 H 1 0.377 0.020 . 2 . . . A 94 LEU HD22 . 30205 1 1099 . 1 1 94 94 LEU HD23 H 1 0.377 0.020 . 2 . . . A 94 LEU HD23 . 30205 1 1100 . 1 1 94 94 LEU C C 13 176.928 0.3 . 1 . . . A 94 LEU C . 30205 1 1101 . 1 1 94 94 LEU CA C 13 55.241 0.3 . 1 . . . A 94 LEU CA . 30205 1 1102 . 1 1 94 94 LEU CB C 13 42.271 0.3 . 1 . . . A 94 LEU CB . 30205 1 1103 . 1 1 94 94 LEU CG C 13 25.965 0.3 . 1 . . . A 94 LEU CG . 30205 1 1104 . 1 1 94 94 LEU CD1 C 13 26.010 0.3 . 1 . . . A 94 LEU CD1 . 30205 1 1105 . 1 1 94 94 LEU CD2 C 13 23.219 0.3 . 1 . . . A 94 LEU CD2 . 30205 1 1106 . 1 1 94 94 LEU N N 15 120.260 0.3 . 1 . . . A 94 LEU N . 30205 1 1107 . 1 1 95 95 ARG H H 1 7.762 0.020 . 1 . . . A 95 ARG H . 30205 1 1108 . 1 1 95 95 ARG HA H 1 4.720 0.020 . 1 . . . A 95 ARG HA . 30205 1 1109 . 1 1 95 95 ARG HB2 H 1 1.750 0.020 . 2 . . . A 95 ARG HB2 . 30205 1 1110 . 1 1 95 95 ARG HB3 H 1 1.855 0.020 . 2 . . . A 95 ARG HB3 . 30205 1 1111 . 1 1 95 95 ARG HG2 H 1 1.627 0.020 . 1 . . . A 95 ARG HG2 . 30205 1 1112 . 1 1 95 95 ARG HG3 H 1 1.627 0.020 . 1 . . . A 95 ARG HG3 . 30205 1 1113 . 1 1 95 95 ARG HD2 H 1 3.208 0.020 . 2 . . . A 95 ARG HD2 . 30205 1 1114 . 1 1 95 95 ARG HD3 H 1 3.249 0.020 . 2 . . . A 95 ARG HD3 . 30205 1 1115 . 1 1 95 95 ARG C C 13 175.167 0.3 . 1 . . . A 95 ARG C . 30205 1 1116 . 1 1 95 95 ARG CA C 13 54.391 0.3 . 1 . . . A 95 ARG CA . 30205 1 1117 . 1 1 95 95 ARG CB C 13 33.072 0.3 . 1 . . . A 95 ARG CB . 30205 1 1118 . 1 1 95 95 ARG CG C 13 26.843 0.3 . 1 . . . A 95 ARG CG . 30205 1 1119 . 1 1 95 95 ARG CD C 13 43.359 0.3 . 1 . . . A 95 ARG CD . 30205 1 1120 . 1 1 95 95 ARG N N 15 118.620 0.3 . 1 . . . A 95 ARG N . 30205 1 1121 . 1 1 96 96 LYS H H 1 8.906 0.020 . 1 . . . A 96 LYS H . 30205 1 1122 . 1 1 96 96 LYS HA H 1 4.425 0.020 . 1 . . . A 96 LYS HA . 30205 1 1123 . 1 1 96 96 LYS HB2 H 1 1.622 0.020 . 2 . . . A 96 LYS HB2 . 30205 1 1124 . 1 1 96 96 LYS HB3 H 1 1.795 0.020 . 2 . . . A 96 LYS HB3 . 30205 1 1125 . 1 1 96 96 LYS HG2 H 1 1.208 0.020 . 2 . . . A 96 LYS HG2 . 30205 1 1126 . 1 1 96 96 LYS HG3 H 1 1.304 0.020 . 2 . . . A 96 LYS HG3 . 30205 1 1127 . 1 1 96 96 LYS HD2 H 1 1.455 0.020 . 1 . . . A 96 LYS HD2 . 30205 1 1128 . 1 1 96 96 LYS HD3 H 1 1.455 0.020 . 1 . . . A 96 LYS HD3 . 30205 1 1129 . 1 1 96 96 LYS HE2 H 1 2.888 0.020 . 1 . . . A 96 LYS HE2 . 30205 1 1130 . 1 1 96 96 LYS HE3 H 1 2.888 0.020 . 1 . . . A 96 LYS HE3 . 30205 1 1131 . 1 1 96 96 LYS C C 13 176.848 0.3 . 1 . . . A 96 LYS C . 30205 1 1132 . 1 1 96 96 LYS CA C 13 56.421 0.3 . 1 . . . A 96 LYS CA . 30205 1 1133 . 1 1 96 96 LYS CB C 13 32.891 0.3 . 1 . . . A 96 LYS CB . 30205 1 1134 . 1 1 96 96 LYS CG C 13 25.008 0.3 . 1 . . . A 96 LYS CG . 30205 1 1135 . 1 1 96 96 LYS CD C 13 28.875 0.3 . 1 . . . A 96 LYS CD . 30205 1 1136 . 1 1 96 96 LYS CE C 13 42.034 0.3 . 1 . . . A 96 LYS CE . 30205 1 1137 . 1 1 96 96 LYS N N 15 124.636 0.3 . 1 . . . A 96 LYS N . 30205 1 1138 . 1 1 97 97 THR H H 1 8.332 0.020 . 1 . . . A 97 THR H . 30205 1 1139 . 1 1 97 97 THR HA H 1 4.217 0.020 . 1 . . . A 97 THR HA . 30205 1 1140 . 1 1 97 97 THR HB H 1 3.989 0.020 . 1 . . . A 97 THR HB . 30205 1 1141 . 1 1 97 97 THR HG21 H 1 1.127 0.020 . 1 . . . A 97 THR HG21 . 30205 1 1142 . 1 1 97 97 THR HG22 H 1 1.127 0.020 . 1 . . . A 97 THR HG22 . 30205 1 1143 . 1 1 97 97 THR HG23 H 1 1.127 0.020 . 1 . . . A 97 THR HG23 . 30205 1 1144 . 1 1 97 97 THR C C 13 174.069 0.3 . 1 . . . A 97 THR C . 30205 1 1145 . 1 1 97 97 THR CA C 13 62.338 0.3 . 1 . . . A 97 THR CA . 30205 1 1146 . 1 1 97 97 THR CB C 13 69.524 0.3 . 1 . . . A 97 THR CB . 30205 1 1147 . 1 1 97 97 THR CG2 C 13 21.410 0.3 . 1 . . . A 97 THR CG2 . 30205 1 1148 . 1 1 97 97 THR N N 15 118.652 0.3 . 1 . . . A 97 THR N . 30205 1 1149 . 1 1 98 98 ASP H H 1 8.469 0.020 . 1 . . . A 98 ASP H . 30205 1 1150 . 1 1 98 98 ASP HA H 1 4.598 0.020 . 1 . . . A 98 ASP HA . 30205 1 1151 . 1 1 98 98 ASP HB2 H 1 2.572 0.020 . 2 . . . A 98 ASP HB2 . 30205 1 1152 . 1 1 98 98 ASP HB3 H 1 2.647 0.020 . 2 . . . A 98 ASP HB3 . 30205 1 1153 . 1 1 98 98 ASP C C 13 175.658 0.3 . 1 . . . A 98 ASP C . 30205 1 1154 . 1 1 98 98 ASP CA C 13 54.391 0.3 . 1 . . . A 98 ASP CA . 30205 1 1155 . 1 1 98 98 ASP CB C 13 41.176 0.3 . 1 . . . A 98 ASP CB . 30205 1 1156 . 1 1 98 98 ASP N N 15 123.290 0.3 . 1 . . . A 98 ASP N . 30205 1 1157 . 1 1 99 99 VAL H H 1 8.002 0.020 . 1 . . . A 99 VAL H . 30205 1 1158 . 1 1 99 99 VAL HA H 1 4.377 0.020 . 1 . . . A 99 VAL HA . 30205 1 1159 . 1 1 99 99 VAL HB H 1 2.036 0.020 . 1 . . . A 99 VAL HB . 30205 1 1160 . 1 1 99 99 VAL HG11 H 1 0.909 0.020 . 2 . . . A 99 VAL HG11 . 30205 1 1161 . 1 1 99 99 VAL HG12 H 1 0.909 0.020 . 2 . . . A 99 VAL HG12 . 30205 1 1162 . 1 1 99 99 VAL HG13 H 1 0.909 0.020 . 2 . . . A 99 VAL HG13 . 30205 1 1163 . 1 1 99 99 VAL HG21 H 1 0.949 0.020 . 2 . . . A 99 VAL HG21 . 30205 1 1164 . 1 1 99 99 VAL HG22 H 1 0.949 0.020 . 2 . . . A 99 VAL HG22 . 30205 1 1165 . 1 1 99 99 VAL HG23 H 1 0.949 0.020 . 2 . . . A 99 VAL HG23 . 30205 1 1166 . 1 1 99 99 VAL C C 13 174.309 0.3 . 1 . . . A 99 VAL C . 30205 1 1167 . 1 1 99 99 VAL CA C 13 59.890 0.3 . 1 . . . A 99 VAL CA . 30205 1 1168 . 1 1 99 99 VAL CB C 13 32.676 0.3 . 1 . . . A 99 VAL CB . 30205 1 1169 . 1 1 99 99 VAL CG1 C 13 20.326 0.3 . 1 . . . A 99 VAL CG1 . 30205 1 1170 . 1 1 99 99 VAL CG2 C 13 21.021 0.3 . 1 . . . A 99 VAL CG2 . 30205 1 1171 . 1 1 99 99 VAL N N 15 121.863 0.3 . 1 . . . A 99 VAL N . 30205 1 1172 . 1 1 100 100 PRO HA H 1 4.415 0.020 . 1 . . . A 100 PRO HA . 30205 1 1173 . 1 1 100 100 PRO HB2 H 1 2.314 0.020 . 1 . . . A 100 PRO HB2 . 30205 1 1174 . 1 1 100 100 PRO HB3 H 1 2.314 0.020 . 1 . . . A 100 PRO HB3 . 30205 1 1175 . 1 1 100 100 PRO HG2 H 1 1.886 0.020 . 2 . . . A 100 PRO HG2 . 30205 1 1176 . 1 1 100 100 PRO HG3 H 1 1.956 0.020 . 2 . . . A 100 PRO HG3 . 30205 1 1177 . 1 1 100 100 PRO HD2 H 1 3.656 0.020 . 2 . . . A 100 PRO HD2 . 30205 1 1178 . 1 1 100 100 PRO HD3 H 1 3.832 0.020 . 2 . . . A 100 PRO HD3 . 30205 1 1179 . 1 1 100 100 PRO C C 13 176.814 0.3 . 1 . . . A 100 PRO C . 30205 1 1180 . 1 1 100 100 PRO CA C 13 62.929 0.3 . 1 . . . A 100 PRO CA . 30205 1 1181 . 1 1 100 100 PRO CB C 13 32.137 0.3 . 1 . . . A 100 PRO CB . 30205 1 1182 . 1 1 100 100 PRO CG C 13 27.367 0.3 . 1 . . . A 100 PRO CG . 30205 1 1183 . 1 1 100 100 PRO CD C 13 51.017 0.3 . 1 . . . A 100 PRO CD . 30205 1 1184 . 1 1 101 101 VAL H H 1 8.245 0.020 . 1 . . . A 101 VAL H . 30205 1 1185 . 1 1 101 101 VAL HA H 1 4.045 0.020 . 1 . . . A 101 VAL HA . 30205 1 1186 . 1 1 101 101 VAL HB H 1 2.038 0.020 . 1 . . . A 101 VAL HB . 30205 1 1187 . 1 1 101 101 VAL HG11 H 1 0.941 0.020 . 1 . . . A 101 VAL HG11 . 30205 1 1188 . 1 1 101 101 VAL HG12 H 1 0.941 0.020 . 1 . . . A 101 VAL HG12 . 30205 1 1189 . 1 1 101 101 VAL HG13 H 1 0.941 0.020 . 1 . . . A 101 VAL HG13 . 30205 1 1190 . 1 1 101 101 VAL C C 13 176.276 0.3 . 1 . . . A 101 VAL C . 30205 1 1191 . 1 1 101 101 VAL CA C 13 62.181 0.3 . 1 . . . A 101 VAL CA . 30205 1 1192 . 1 1 101 101 VAL CB C 13 32.828 0.3 . 1 . . . A 101 VAL CB . 30205 1 1193 . 1 1 101 101 VAL CG1 C 13 20.944 0.3 . 1 . . . A 101 VAL CG1 . 30205 1 1194 . 1 1 101 101 VAL N N 15 120.856 0.3 . 1 . . . A 101 VAL N . 30205 1 1195 . 1 1 102 102 GLU H H 1 8.462 0.020 . 1 . . . A 102 GLU H . 30205 1 1196 . 1 1 102 102 GLU HA H 1 4.282 0.020 . 1 . . . A 102 GLU HA . 30205 1 1197 . 1 1 102 102 GLU HB2 H 1 1.911 0.020 . 2 . . . A 102 GLU HB2 . 30205 1 1198 . 1 1 102 102 GLU HB3 H 1 1.997 0.020 . 2 . . . A 102 GLU HB3 . 30205 1 1199 . 1 1 102 102 GLU HG2 H 1 2.256 0.020 . 1 . . . A 102 GLU HG2 . 30205 1 1200 . 1 1 102 102 GLU HG3 H 1 2.256 0.020 . 1 . . . A 102 GLU HG3 . 30205 1 1201 . 1 1 102 102 GLU C C 13 176.036 0.3 . 1 . . . A 102 GLU C . 30205 1 1202 . 1 1 102 102 GLU CA C 13 56.364 0.3 . 1 . . . A 102 GLU CA . 30205 1 1203 . 1 1 102 102 GLU CB C 13 30.461 0.3 . 1 . . . A 102 GLU CB . 30205 1 1204 . 1 1 102 102 GLU CG C 13 36.130 0.3 . 1 . . . A 102 GLU CG . 30205 1 1205 . 1 1 102 102 GLU N N 15 124.918 0.3 . 1 . . . A 102 GLU N . 30205 1 1206 . 1 1 103 103 GLN H H 1 8.455 0.020 . 1 . . . A 103 GLN H . 30205 1 1207 . 1 1 103 103 GLN HA H 1 4.587 0.020 . 1 . . . A 103 GLN HA . 30205 1 1208 . 1 1 103 103 GLN HB2 H 1 1.887 0.020 . 2 . . . A 103 GLN HB2 . 30205 1 1209 . 1 1 103 103 GLN HB3 H 1 2.039 0.020 . 2 . . . A 103 GLN HB3 . 30205 1 1210 . 1 1 103 103 GLN HG2 H 1 2.344 0.020 . 1 . . . A 103 GLN HG2 . 30205 1 1211 . 1 1 103 103 GLN HG3 H 1 2.344 0.020 . 1 . . . A 103 GLN HG3 . 30205 1 1212 . 1 1 103 103 GLN C C 13 173.920 0.3 . 1 . . . A 103 GLN C . 30205 1 1213 . 1 1 103 103 GLN CA C 13 53.453 0.3 . 1 . . . A 103 GLN CA . 30205 1 1214 . 1 1 103 103 GLN CB C 13 29.024 0.3 . 1 . . . A 103 GLN CB . 30205 1 1215 . 1 1 103 103 GLN CG C 13 33.373 0.3 . 1 . . . A 103 GLN CG . 30205 1 1216 . 1 1 103 103 GLN N N 15 122.904 0.3 . 1 . . . A 103 GLN N . 30205 1 1217 . 1 1 104 104 PRO HA H 1 4.369 0.020 . 1 . . . A 104 PRO HA . 30205 1 1218 . 1 1 104 104 PRO HB2 H 1 2.225 0.020 . 1 . . . A 104 PRO HB2 . 30205 1 1219 . 1 1 104 104 PRO HB3 H 1 2.225 0.020 . 1 . . . A 104 PRO HB3 . 30205 1 1220 . 1 1 104 104 PRO HG2 H 1 1.782 0.020 . 2 . . . A 104 PRO HG2 . 30205 1 1221 . 1 1 104 104 PRO HG3 H 1 1.953 0.020 . 2 . . . A 104 PRO HG3 . 30205 1 1222 . 1 1 104 104 PRO HD2 H 1 3.649 0.020 . 2 . . . A 104 PRO HD2 . 30205 1 1223 . 1 1 104 104 PRO HD3 H 1 3.823 0.020 . 2 . . . A 104 PRO HD3 . 30205 1 1224 . 1 1 104 104 PRO C C 13 176.402 0.3 . 1 . . . A 104 PRO C . 30205 1 1225 . 1 1 104 104 PRO CA C 13 63.206 0.3 . 1 . . . A 104 PRO CA . 30205 1 1226 . 1 1 104 104 PRO CB C 13 32.017 0.3 . 1 . . . A 104 PRO CB . 30205 1 1227 . 1 1 104 104 PRO CG C 13 27.302 0.3 . 1 . . . A 104 PRO CG . 30205 1 1228 . 1 1 104 104 PRO CD C 13 50.976 0.3 . 1 . . . A 104 PRO CD . 30205 1 1229 . 1 1 105 105 PHE H H 1 8.236 0.020 . 1 . . . A 105 PHE H . 30205 1 1230 . 1 1 105 105 PHE HA H 1 4.604 0.020 . 1 . . . A 105 PHE HA . 30205 1 1231 . 1 1 105 105 PHE HB2 H 1 3.058 0.020 . 1 . . . A 105 PHE HB2 . 30205 1 1232 . 1 1 105 105 PHE HB3 H 1 3.058 0.020 . 1 . . . A 105 PHE HB3 . 30205 1 1233 . 1 1 105 105 PHE HD1 H 1 7.195 0.020 . 1 . . . A 105 PHE HD1 . 30205 1 1234 . 1 1 105 105 PHE HD2 H 1 7.195 0.020 . 1 . . . A 105 PHE HD2 . 30205 1 1235 . 1 1 105 105 PHE HE1 H 1 7.288 0.020 . 1 . . . A 105 PHE HE1 . 30205 1 1236 . 1 1 105 105 PHE HE2 H 1 7.288 0.020 . 1 . . . A 105 PHE HE2 . 30205 1 1237 . 1 1 105 105 PHE HZ H 1 7.283 0.020 . 1 . . . A 105 PHE HZ . 30205 1 1238 . 1 1 105 105 PHE C C 13 175.407 0.3 . 1 . . . A 105 PHE C . 30205 1 1239 . 1 1 105 105 PHE CA C 13 57.488 0.3 . 1 . . . A 105 PHE CA . 30205 1 1240 . 1 1 105 105 PHE CB C 13 39.500 0.3 . 1 . . . A 105 PHE CB . 30205 1 1241 . 1 1 105 105 PHE CD1 C 13 131.720 0.3 . 1 . . . A 105 PHE CD1 . 30205 1 1242 . 1 1 105 105 PHE CE1 C 13 131.620 0.3 . 1 . . . A 105 PHE CE1 . 30205 1 1243 . 1 1 105 105 PHE CZ C 13 129.846 0.3 . 1 . . . A 105 PHE CZ . 30205 1 1244 . 1 1 105 105 PHE N N 15 120.322 0.3 . 1 . . . A 105 PHE N . 30205 1 1245 . 1 1 106 106 VAL H H 1 7.980 0.020 . 1 . . . A 106 VAL H . 30205 1 1246 . 1 1 106 106 VAL HA H 1 4.021 0.020 . 1 . . . A 106 VAL HA . 30205 1 1247 . 1 1 106 106 VAL HB H 1 1.924 0.020 . 1 . . . A 106 VAL HB . 30205 1 1248 . 1 1 106 106 VAL HG11 H 1 0.841 0.020 . 1 . . . A 106 VAL HG11 . 30205 1 1249 . 1 1 106 106 VAL HG12 H 1 0.841 0.020 . 1 . . . A 106 VAL HG12 . 30205 1 1250 . 1 1 106 106 VAL HG13 H 1 0.841 0.020 . 1 . . . A 106 VAL HG13 . 30205 1 1251 . 1 1 106 106 VAL C C 13 175.258 0.3 . 1 . . . A 106 VAL C . 30205 1 1252 . 1 1 106 106 VAL CA C 13 61.946 0.3 . 1 . . . A 106 VAL CA . 30205 1 1253 . 1 1 106 106 VAL CB C 13 33.022 0.3 . 1 . . . A 106 VAL CB . 30205 1 1254 . 1 1 106 106 VAL CG1 C 13 20.789 0.3 . 1 . . . A 106 VAL CG1 . 30205 1 1255 . 1 1 106 106 VAL N N 15 123.322 0.3 . 1 . . . A 106 VAL N . 30205 1 1256 . 1 1 107 107 HIS H H 1 8.455 0.020 . 1 . . . A 107 HIS H . 30205 1 1257 . 1 1 107 107 HIS HA H 1 4.639 0.020 . 1 . . . A 107 HIS HA . 30205 1 1258 . 1 1 107 107 HIS HB2 H 1 3.113 0.020 . 2 . . . A 107 HIS HB2 . 30205 1 1259 . 1 1 107 107 HIS HB3 H 1 3.171 0.020 . 2 . . . A 107 HIS HB3 . 30205 1 1260 . 1 1 107 107 HIS HD2 H 1 7.231 0.020 . 1 . . . A 107 HIS HD2 . 30205 1 1261 . 1 1 107 107 HIS C C 13 174.560 0.3 . 1 . . . A 107 HIS C . 30205 1 1262 . 1 1 107 107 HIS CA C 13 55.277 0.3 . 1 . . . A 107 HIS CA . 30205 1 1263 . 1 1 107 107 HIS CB C 13 29.760 0.3 . 1 . . . A 107 HIS CB . 30205 1 1264 . 1 1 107 107 HIS CD2 C 13 120.120 0.3 . 1 . . . A 107 HIS CD2 . 30205 1 1265 . 1 1 107 107 HIS N N 15 123.697 0.3 . 1 . . . A 107 HIS N . 30205 1 1266 . 1 1 108 108 SER H H 1 8.528 0.020 . 1 . . . A 108 SER H . 30205 1 1267 . 1 1 108 108 SER HA H 1 4.739 0.020 . 1 . . . A 108 SER HA . 30205 1 1268 . 1 1 108 108 SER HB2 H 1 3.831 0.020 . 2 . . . A 108 SER HB2 . 30205 1 1269 . 1 1 108 108 SER HB3 H 1 3.871 0.020 . 2 . . . A 108 SER HB3 . 30205 1 1270 . 1 1 108 108 SER C C 13 172.753 0.3 . 1 . . . A 108 SER C . 30205 1 1271 . 1 1 108 108 SER CA C 13 56.417 0.3 . 1 . . . A 108 SER CA . 30205 1 1272 . 1 1 108 108 SER CB C 13 63.170 0.3 . 1 . . . A 108 SER CB . 30205 1 1273 . 1 1 108 108 SER N N 15 120.359 0.3 . 1 . . . A 108 SER N . 30205 1 1274 . 1 1 109 109 PRO HA H 1 4.422 0.020 . 1 . . . A 109 PRO HA . 30205 1 1275 . 1 1 109 109 PRO HB2 H 1 2.285 0.020 . 1 . . . A 109 PRO HB2 . 30205 1 1276 . 1 1 109 109 PRO HB3 H 1 2.285 0.020 . 1 . . . A 109 PRO HB3 . 30205 1 1277 . 1 1 109 109 PRO HG2 H 1 2.000 0.020 . 1 . . . A 109 PRO HG2 . 30205 1 1278 . 1 1 109 109 PRO HG3 H 1 2.000 0.020 . 1 . . . A 109 PRO HG3 . 30205 1 1279 . 1 1 109 109 PRO HD2 H 1 3.743 0.020 . 1 . . . A 109 PRO HD2 . 30205 1 1280 . 1 1 109 109 PRO HD3 H 1 3.743 0.020 . 1 . . . A 109 PRO HD3 . 30205 1 1281 . 1 1 109 109 PRO C C 13 176.859 0.3 . 1 . . . A 109 PRO C . 30205 1 1282 . 1 1 109 109 PRO CA C 13 63.417 0.3 . 1 . . . A 109 PRO CA . 30205 1 1283 . 1 1 109 109 PRO CB C 13 32.077 0.3 . 1 . . . A 109 PRO CB . 30205 1 1284 . 1 1 109 109 PRO CG C 13 27.433 0.3 . 1 . . . A 109 PRO CG . 30205 1 1285 . 1 1 109 109 PRO CD C 13 50.766 0.3 . 1 . . . A 109 PRO CD . 30205 1 1286 . 1 1 110 110 GLU H H 1 8.424 0.020 . 1 . . . A 110 GLU H . 30205 1 1287 . 1 1 110 110 GLU HA H 1 4.283 0.020 . 1 . . . A 110 GLU HA . 30205 1 1288 . 1 1 110 110 GLU HB2 H 1 1.912 0.020 . 1 . . . A 110 GLU HB2 . 30205 1 1289 . 1 1 110 110 GLU HB3 H 1 1.912 0.020 . 1 . . . A 110 GLU HB3 . 30205 1 1290 . 1 1 110 110 GLU HG2 H 1 2.263 0.020 . 1 . . . A 110 GLU HG2 . 30205 1 1291 . 1 1 110 110 GLU HG3 H 1 2.263 0.020 . 1 . . . A 110 GLU HG3 . 30205 1 1292 . 1 1 110 110 GLU C C 13 175.430 0.3 . 1 . . . A 110 GLU C . 30205 1 1293 . 1 1 110 110 GLU CA C 13 56.233 0.3 . 1 . . . A 110 GLU CA . 30205 1 1294 . 1 1 110 110 GLU CB C 13 30.304 0.3 . 1 . . . A 110 GLU CB . 30205 1 1295 . 1 1 110 110 GLU CG C 13 36.543 0.3 . 1 . . . A 110 GLU CG . 30205 1 1296 . 1 1 110 110 GLU N N 15 120.608 0.3 . 1 . . . A 110 GLU N . 30205 1 1297 . 1 1 111 111 ASP H H 1 7.873 0.020 . 1 . . . A 111 ASP H . 30205 1 1298 . 1 1 111 111 ASP HA H 1 4.364 0.020 . 1 . . . A 111 ASP HA . 30205 1 1299 . 1 1 111 111 ASP HB2 H 1 2.567 0.020 . 2 . . . A 111 ASP HB2 . 30205 1 1300 . 1 1 111 111 ASP HB3 H 1 2.672 0.020 . 2 . . . A 111 ASP HB3 . 30205 1 1301 . 1 1 111 111 ASP C C 13 180.954 0.3 . 1 . . . A 111 ASP C . 30205 1 1302 . 1 1 111 111 ASP CA C 13 55.895 0.3 . 1 . . . A 111 ASP CA . 30205 1 1303 . 1 1 111 111 ASP CB C 13 42.169 0.3 . 1 . . . A 111 ASP CB . 30205 1 1304 . 1 1 111 111 ASP N N 15 126.661 0.3 . 1 . . . A 111 ASP N . 30205 1 stop_ save_