data_30551 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30551 _Entry.Title ; Solution Structure of the Thioredoxin-like Domain of Arabidopsis NCP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-17 _Entry.Accession_date 2018-12-17 _Entry.Last_release_date 2019-02-15 _Entry.Original_release_date 2019-02-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30551 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Liu J. . . . 30551 2 M. Chen M. . . . 30551 3 P. Zhou P. . . . 30551 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NCP . 30551 'PLANT PROTEIN' . 30551 'chloroplast biogenesis' . 30551 'phytochrome signaling' . 30551 'plastid-encoded RNA polymerase' . 30551 'thioredoxin-like domain' . 30551 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30551 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 30551 '15N chemical shifts' 139 30551 '1H chemical shifts' 1058 30551 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-06-17 . original BMRB . 30551 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6NE8 . 30551 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30551 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-019-10517-1 _Citation.PubMed_ID 31201314 _Citation.Full_citation . _Citation.Title ; NCP activates chloroplast transcription by controlling phytochrome-dependent dual nuclear and plastidial switches ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 2630 _Citation.Page_last 2630 _Citation.Year 2019 _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 Emily Yang E. J. . . 30551 1 2 'Chan Yul' Yoo C. Y. . . 30551 1 3 Jiangxin Liu J. . . . 30551 1 4 He Wang H. . . . 30551 1 5 Jun Cao J. . . . 30551 1 6 Fay-Wei Li F. W. . . 30551 1 7 Kathleen Pryer K. M. . . 30551 1 8 Tai-Ping Sun T. P. . . 30551 1 9 Detlef Weigel D. . . . 30551 1 10 Pei Zhou P. . . . 30551 1 11 Meng Chen M. . . . 30551 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30551 _Assembly.ID 1 _Assembly.Name 'Thioredoxin-like fold domain-containing protein MRL7L, chloroplastic' _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 . . . . . . 30551 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30551 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHMDNYIRPIKDLTTAEWEE AVFKDISPLMVLVHNRYKRP KENEKFREELEKAIQVIWNC GLPSPRCVAVDAVVETDLVS ALKVSVFPEIIFTKAGKILY REKGIRTADELSKIMAFFYY GAAKPPCLNGVVNSQEQIPL VDVSVN ; _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16605.234 _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 AtMRL7-L na 30551 1 'Protein MESOPHYLL-CELL RNAI LIBRARY LINE 7-LIKE' na 30551 1 'Protein SUPPRESSOR OF VARIEGATION 4-LIKE' na 30551 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 0 SER . 30551 1 2 1 HIS . 30551 1 3 2 MET . 30551 1 4 3 ASP . 30551 1 5 4 ASN . 30551 1 6 5 TYR . 30551 1 7 6 ILE . 30551 1 8 7 ARG . 30551 1 9 8 PRO . 30551 1 10 9 ILE . 30551 1 11 10 LYS . 30551 1 12 11 ASP . 30551 1 13 12 LEU . 30551 1 14 13 THR . 30551 1 15 14 THR . 30551 1 16 15 ALA . 30551 1 17 16 GLU . 30551 1 18 17 TRP . 30551 1 19 18 GLU . 30551 1 20 19 GLU . 30551 1 21 20 ALA . 30551 1 22 21 VAL . 30551 1 23 22 PHE . 30551 1 24 23 LYS . 30551 1 25 24 ASP . 30551 1 26 25 ILE . 30551 1 27 26 SER . 30551 1 28 27 PRO . 30551 1 29 28 LEU . 30551 1 30 29 MET . 30551 1 31 30 VAL . 30551 1 32 31 LEU . 30551 1 33 32 VAL . 30551 1 34 33 HIS . 30551 1 35 34 ASN . 30551 1 36 35 ARG . 30551 1 37 36 TYR . 30551 1 38 37 LYS . 30551 1 39 38 ARG . 30551 1 40 39 PRO . 30551 1 41 40 LYS . 30551 1 42 41 GLU . 30551 1 43 42 ASN . 30551 1 44 43 GLU . 30551 1 45 44 LYS . 30551 1 46 45 PHE . 30551 1 47 46 ARG . 30551 1 48 47 GLU . 30551 1 49 48 GLU . 30551 1 50 49 LEU . 30551 1 51 50 GLU . 30551 1 52 51 LYS . 30551 1 53 52 ALA . 30551 1 54 53 ILE . 30551 1 55 54 GLN . 30551 1 56 55 VAL . 30551 1 57 56 ILE . 30551 1 58 57 TRP . 30551 1 59 58 ASN . 30551 1 60 59 CYS . 30551 1 61 60 GLY . 30551 1 62 61 LEU . 30551 1 63 62 PRO . 30551 1 64 63 SER . 30551 1 65 64 PRO . 30551 1 66 65 ARG . 30551 1 67 66 CYS . 30551 1 68 67 VAL . 30551 1 69 68 ALA . 30551 1 70 69 VAL . 30551 1 71 70 ASP . 30551 1 72 71 ALA . 30551 1 73 72 VAL . 30551 1 74 73 VAL . 30551 1 75 74 GLU . 30551 1 76 75 THR . 30551 1 77 76 ASP . 30551 1 78 77 LEU . 30551 1 79 78 VAL . 30551 1 80 79 SER . 30551 1 81 80 ALA . 30551 1 82 81 LEU . 30551 1 83 82 LYS . 30551 1 84 83 VAL . 30551 1 85 84 SER . 30551 1 86 85 VAL . 30551 1 87 86 PHE . 30551 1 88 87 PRO . 30551 1 89 88 GLU . 30551 1 90 89 ILE . 30551 1 91 90 ILE . 30551 1 92 91 PHE . 30551 1 93 92 THR . 30551 1 94 93 LYS . 30551 1 95 94 ALA . 30551 1 96 95 GLY . 30551 1 97 96 LYS . 30551 1 98 97 ILE . 30551 1 99 98 LEU . 30551 1 100 99 TYR . 30551 1 101 100 ARG . 30551 1 102 101 GLU . 30551 1 103 102 LYS . 30551 1 104 103 GLY . 30551 1 105 104 ILE . 30551 1 106 105 ARG . 30551 1 107 106 THR . 30551 1 108 107 ALA . 30551 1 109 108 ASP . 30551 1 110 109 GLU . 30551 1 111 110 LEU . 30551 1 112 111 SER . 30551 1 113 112 LYS . 30551 1 114 113 ILE . 30551 1 115 114 MET . 30551 1 116 115 ALA . 30551 1 117 116 PHE . 30551 1 118 117 PHE . 30551 1 119 118 TYR . 30551 1 120 119 TYR . 30551 1 121 120 GLY . 30551 1 122 121 ALA . 30551 1 123 122 ALA . 30551 1 124 123 LYS . 30551 1 125 124 PRO . 30551 1 126 125 PRO . 30551 1 127 126 CYS . 30551 1 128 127 LEU . 30551 1 129 128 ASN . 30551 1 130 129 GLY . 30551 1 131 130 VAL . 30551 1 132 131 VAL . 30551 1 133 132 ASN . 30551 1 134 133 SER . 30551 1 135 134 GLN . 30551 1 136 135 GLU . 30551 1 137 136 GLN . 30551 1 138 137 ILE . 30551 1 139 138 PRO . 30551 1 140 139 LEU . 30551 1 141 140 VAL . 30551 1 142 141 ASP . 30551 1 143 142 VAL . 30551 1 144 143 SER . 30551 1 145 144 VAL . 30551 1 146 145 ASN . 30551 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 . SER 1 1 30551 1 . HIS 2 2 30551 1 . MET 3 3 30551 1 . ASP 4 4 30551 1 . ASN 5 5 30551 1 . TYR 6 6 30551 1 . ILE 7 7 30551 1 . ARG 8 8 30551 1 . PRO 9 9 30551 1 . ILE 10 10 30551 1 . LYS 11 11 30551 1 . ASP 12 12 30551 1 . LEU 13 13 30551 1 . THR 14 14 30551 1 . THR 15 15 30551 1 . ALA 16 16 30551 1 . GLU 17 17 30551 1 . TRP 18 18 30551 1 . GLU 19 19 30551 1 . GLU 20 20 30551 1 . ALA 21 21 30551 1 . VAL 22 22 30551 1 . PHE 23 23 30551 1 . LYS 24 24 30551 1 . ASP 25 25 30551 1 . ILE 26 26 30551 1 . SER 27 27 30551 1 . PRO 28 28 30551 1 . LEU 29 29 30551 1 . MET 30 30 30551 1 . VAL 31 31 30551 1 . LEU 32 32 30551 1 . VAL 33 33 30551 1 . HIS 34 34 30551 1 . ASN 35 35 30551 1 . ARG 36 36 30551 1 . TYR 37 37 30551 1 . LYS 38 38 30551 1 . ARG 39 39 30551 1 . PRO 40 40 30551 1 . LYS 41 41 30551 1 . GLU 42 42 30551 1 . ASN 43 43 30551 1 . GLU 44 44 30551 1 . LYS 45 45 30551 1 . PHE 46 46 30551 1 . ARG 47 47 30551 1 . GLU 48 48 30551 1 . GLU 49 49 30551 1 . LEU 50 50 30551 1 . GLU 51 51 30551 1 . LYS 52 52 30551 1 . ALA 53 53 30551 1 . ILE 54 54 30551 1 . GLN 55 55 30551 1 . VAL 56 56 30551 1 . ILE 57 57 30551 1 . TRP 58 58 30551 1 . ASN 59 59 30551 1 . CYS 60 60 30551 1 . GLY 61 61 30551 1 . LEU 62 62 30551 1 . PRO 63 63 30551 1 . SER 64 64 30551 1 . PRO 65 65 30551 1 . ARG 66 66 30551 1 . CYS 67 67 30551 1 . VAL 68 68 30551 1 . ALA 69 69 30551 1 . VAL 70 70 30551 1 . ASP 71 71 30551 1 . ALA 72 72 30551 1 . VAL 73 73 30551 1 . VAL 74 74 30551 1 . GLU 75 75 30551 1 . THR 76 76 30551 1 . ASP 77 77 30551 1 . LEU 78 78 30551 1 . VAL 79 79 30551 1 . SER 80 80 30551 1 . ALA 81 81 30551 1 . LEU 82 82 30551 1 . LYS 83 83 30551 1 . VAL 84 84 30551 1 . SER 85 85 30551 1 . VAL 86 86 30551 1 . PHE 87 87 30551 1 . PRO 88 88 30551 1 . GLU 89 89 30551 1 . ILE 90 90 30551 1 . ILE 91 91 30551 1 . PHE 92 92 30551 1 . THR 93 93 30551 1 . LYS 94 94 30551 1 . ALA 95 95 30551 1 . GLY 96 96 30551 1 . LYS 97 97 30551 1 . ILE 98 98 30551 1 . LEU 99 99 30551 1 . TYR 100 100 30551 1 . ARG 101 101 30551 1 . GLU 102 102 30551 1 . LYS 103 103 30551 1 . GLY 104 104 30551 1 . ILE 105 105 30551 1 . ARG 106 106 30551 1 . THR 107 107 30551 1 . ALA 108 108 30551 1 . ASP 109 109 30551 1 . GLU 110 110 30551 1 . LEU 111 111 30551 1 . SER 112 112 30551 1 . LYS 113 113 30551 1 . ILE 114 114 30551 1 . MET 115 115 30551 1 . ALA 116 116 30551 1 . PHE 117 117 30551 1 . PHE 118 118 30551 1 . TYR 119 119 30551 1 . TYR 120 120 30551 1 . GLY 121 121 30551 1 . ALA 122 122 30551 1 . ALA 123 123 30551 1 . LYS 124 124 30551 1 . PRO 125 125 30551 1 . PRO 126 126 30551 1 . CYS 127 127 30551 1 . LEU 128 128 30551 1 . ASN 129 129 30551 1 . GLY 130 130 30551 1 . VAL 131 131 30551 1 . VAL 132 132 30551 1 . ASN 133 133 30551 1 . SER 134 134 30551 1 . GLN 135 135 30551 1 . GLU 136 136 30551 1 . GLN 137 137 30551 1 . ILE 138 138 30551 1 . PRO 139 139 30551 1 . LEU 140 140 30551 1 . VAL 141 141 30551 1 . ASP 142 142 30551 1 . VAL 143 143 30551 1 . SER 144 144 30551 1 . VAL 145 145 30551 1 . ASN 146 146 30551 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 30551 _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 . 3702 organism . 'Arabidopsis thaliana' 'Mouse-ear cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . 'MRL7L, SVR4L, At2g31840' . 30551 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 30551 _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 . . . . . . . . . . 30551 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30551 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-99% 13C; U-99% 15N] NCP Thioredoxin-like Domain, 25 mM HEPES, 50 mM KCl (pH 7.0), 10 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NCP Thioredoxin-like Domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30551 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 30551 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30551 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30551 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30551 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-99% 13C; U-99% 15N] NCP Thioredoxin-like Domain, 25 mM HEPES, 50 mM KCl (pH 7.0), 10 mM DTT, 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 'NCP Thioredoxin-like Domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30551 2 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 30551 2 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30551 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30551 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30551 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-99% 15N] NCP Thioredoxin-like Domain, 25 mM HEPES, 50 mM KCl (pH 7.0), 10 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NCP Thioredoxin-like Domain' '[U-99% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30551 3 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 30551 3 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 30551 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30551 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 30551 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 30551 1 pH 7 . pH 30551 1 pressure 1 . atm 30551 1 temperature 308 . K 30551 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30551 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30551 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30551 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30551 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30551 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30551 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30551 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30551 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30551 3 . 'structure calculation' 30551 3 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 30551 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30551 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 30551 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 800 . . . 30551 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 30551 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 30551 _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 Triple-resonance no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30551 1 2 '4D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30551 1 3 '4D HCCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30551 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30551 1 5 '4D 13C-HMQC-NOESY-15N-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30551 1 6 '4D 13C-HMQC-NOESY-13C-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30551 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 30551 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 30551 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30551 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30551 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 30551 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 Triple-resonance . . . 30551 1 2 '4D HCCH-TOCSY' . . . 30551 1 3 '4D HCCONH' . . . 30551 1 4 '3D 1H-15N NOESY' . . . 30551 1 5 '4D 13C-HMQC-NOESY-15N-HSQC' . . . 30551 1 6 '4D 13C-HMQC-NOESY-13C-HSQC' . . . 30551 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ASP H H 1 8.202 0.020 . 1 . . . . A 3 ASP H . 30551 1 2 . 1 1 4 4 ASP HA H 1 4.494 0.020 . 1 . . . . A 3 ASP HA . 30551 1 3 . 1 1 4 4 ASP HB2 H 1 2.594 0.020 . 2 . . . . A 3 ASP HB2 . 30551 1 4 . 1 1 4 4 ASP HB3 H 1 2.594 0.020 . 2 . . . . A 3 ASP HB3 . 30551 1 5 . 1 1 4 4 ASP CA C 13 54.533 0.400 . 1 . . . . A 3 ASP CA . 30551 1 6 . 1 1 4 4 ASP N N 15 120.959 0.400 . 1 . . . . A 3 ASP N . 30551 1 7 . 1 1 5 5 ASN H H 1 8.160 0.020 . 1 . . . . A 4 ASN H . 30551 1 8 . 1 1 5 5 ASN HA H 1 4.576 0.020 . 1 . . . . A 4 ASN HA . 30551 1 9 . 1 1 5 5 ASN HB2 H 1 2.708 0.020 . 2 . . . . A 4 ASN HB2 . 30551 1 10 . 1 1 5 5 ASN HB3 H 1 2.624 0.020 . 2 . . . . A 4 ASN HB3 . 30551 1 11 . 1 1 5 5 ASN HD21 H 1 6.776 0.020 . 2 . . . . A 4 ASN HD21 . 30551 1 12 . 1 1 5 5 ASN HD22 H 1 7.427 0.020 . 2 . . . . A 4 ASN HD22 . 30551 1 13 . 1 1 5 5 ASN CA C 13 52.954 0.400 . 1 . . . . A 4 ASN CA . 30551 1 14 . 1 1 5 5 ASN CB C 13 38.374 0.400 . 1 . . . . A 4 ASN CB . 30551 1 15 . 1 1 5 5 ASN N N 15 117.912 0.400 . 1 . . . . A 4 ASN N . 30551 1 16 . 1 1 5 5 ASN ND2 N 15 112.278 0.400 . 1 . . . . A 4 ASN ND2 . 30551 1 17 . 1 1 6 6 TYR H H 1 7.823 0.020 . 1 . . . . A 5 TYR H . 30551 1 18 . 1 1 6 6 TYR HA H 1 4.369 0.020 . 1 . . . . A 5 TYR HA . 30551 1 19 . 1 1 6 6 TYR HB2 H 1 2.867 0.020 . 2 . . . . A 5 TYR HB2 . 30551 1 20 . 1 1 6 6 TYR HB3 H 1 2.719 0.020 . 2 . . . . A 5 TYR HB3 . 30551 1 21 . 1 1 6 6 TYR HD1 H 1 6.880 0.020 . 1 . . . . A 5 TYR HD1 . 30551 1 22 . 1 1 6 6 TYR HD2 H 1 6.880 0.020 . 1 . . . . A 5 TYR HD2 . 30551 1 23 . 1 1 6 6 TYR HE1 H 1 6.705 0.020 . 1 . . . . A 5 TYR HE1 . 30551 1 24 . 1 1 6 6 TYR HE2 H 1 6.705 0.020 . 1 . . . . A 5 TYR HE2 . 30551 1 25 . 1 1 6 6 TYR CA C 13 57.564 0.400 . 1 . . . . A 5 TYR CA . 30551 1 26 . 1 1 6 6 TYR CB C 13 38.407 0.400 . 1 . . . . A 5 TYR CB . 30551 1 27 . 1 1 6 6 TYR CD1 C 13 133.009 0.400 . 3 . . . . A 5 TYR CD1 . 30551 1 28 . 1 1 6 6 TYR CE1 C 13 117.999 0.400 . 3 . . . . A 5 TYR CE1 . 30551 1 29 . 1 1 6 6 TYR N N 15 119.995 0.400 . 1 . . . . A 5 TYR N . 30551 1 30 . 1 1 7 7 ILE H H 1 7.629 0.020 . 1 . . . . A 6 ILE H . 30551 1 31 . 1 1 7 7 ILE HA H 1 3.858 0.020 . 1 . . . . A 6 ILE HA . 30551 1 32 . 1 1 7 7 ILE HB H 1 1.582 0.020 . 1 . . . . A 6 ILE HB . 30551 1 33 . 1 1 7 7 ILE HG12 H 1 1.203 0.020 . 2 . . . . A 6 ILE HG12 . 30551 1 34 . 1 1 7 7 ILE HG13 H 1 0.887 0.020 . 2 . . . . A 6 ILE HG13 . 30551 1 35 . 1 1 7 7 ILE HG21 H 1 0.697 0.020 . 1 . . . . A 6 ILE HG21 . 30551 1 36 . 1 1 7 7 ILE HG22 H 1 0.697 0.020 . 1 . . . . A 6 ILE HG22 . 30551 1 37 . 1 1 7 7 ILE HG23 H 1 0.697 0.020 . 1 . . . . A 6 ILE HG23 . 30551 1 38 . 1 1 7 7 ILE HD11 H 1 0.669 0.020 . 1 . . . . A 6 ILE HD11 . 30551 1 39 . 1 1 7 7 ILE HD12 H 1 0.669 0.020 . 1 . . . . A 6 ILE HD12 . 30551 1 40 . 1 1 7 7 ILE HD13 H 1 0.669 0.020 . 1 . . . . A 6 ILE HD13 . 30551 1 41 . 1 1 7 7 ILE CA C 13 60.557 0.400 . 1 . . . . A 6 ILE CA . 30551 1 42 . 1 1 7 7 ILE CB C 13 38.007 0.400 . 1 . . . . A 6 ILE CB . 30551 1 43 . 1 1 7 7 ILE CG1 C 13 26.972 0.400 . 1 . . . . A 6 ILE CG1 . 30551 1 44 . 1 1 7 7 ILE CG2 C 13 16.958 0.400 . 1 . . . . A 6 ILE CG2 . 30551 1 45 . 1 1 7 7 ILE CD1 C 13 12.695 0.400 . 1 . . . . A 6 ILE CD1 . 30551 1 46 . 1 1 7 7 ILE N N 15 122.111 0.400 . 1 . . . . A 6 ILE N . 30551 1 47 . 1 1 8 8 ARG H H 1 8.082 0.020 . 1 . . . . A 7 ARG H . 30551 1 48 . 1 1 8 8 ARG HA H 1 4.543 0.020 . 1 . . . . A 7 ARG HA . 30551 1 49 . 1 1 8 8 ARG HB2 H 1 1.837 0.020 . 2 . . . . A 7 ARG HB2 . 30551 1 50 . 1 1 8 8 ARG HB3 H 1 1.662 0.020 . 2 . . . . A 7 ARG HB3 . 30551 1 51 . 1 1 8 8 ARG HG2 H 1 1.616 0.020 . 2 . . . . A 7 ARG HG2 . 30551 1 52 . 1 1 8 8 ARG HG3 H 1 1.569 0.020 . 2 . . . . A 7 ARG HG3 . 30551 1 53 . 1 1 8 8 ARG HD2 H 1 3.134 0.020 . 2 . . . . A 7 ARG HD2 . 30551 1 54 . 1 1 8 8 ARG HD3 H 1 3.134 0.020 . 2 . . . . A 7 ARG HD3 . 30551 1 55 . 1 1 8 8 ARG CA C 13 53.053 0.400 . 1 . . . . A 7 ARG CA . 30551 1 56 . 1 1 8 8 ARG CB C 13 29.874 0.400 . 1 . . . . A 7 ARG CB . 30551 1 57 . 1 1 8 8 ARG CG C 13 26.767 0.400 . 1 . . . . A 7 ARG CG . 30551 1 58 . 1 1 8 8 ARG CD C 13 43.244 0.400 . 1 . . . . A 7 ARG CD . 30551 1 59 . 1 1 8 8 ARG N N 15 125.510 0.400 . 1 . . . . A 7 ARG N . 30551 1 60 . 1 1 9 9 PRO HA H 1 4.417 0.020 . 1 . . . . A 8 PRO HA . 30551 1 61 . 1 1 9 9 PRO HB2 H 1 1.847 0.020 . 2 . . . . A 8 PRO HB2 . 30551 1 62 . 1 1 9 9 PRO HB3 H 1 2.241 0.020 . 2 . . . . A 8 PRO HB3 . 30551 1 63 . 1 1 9 9 PRO HG2 H 1 1.968 0.020 . 2 . . . . A 8 PRO HG2 . 30551 1 64 . 1 1 9 9 PRO HG3 H 1 1.892 0.020 . 2 . . . . A 8 PRO HG3 . 30551 1 65 . 1 1 9 9 PRO HD2 H 1 3.689 0.020 . 2 . . . . A 8 PRO HD2 . 30551 1 66 . 1 1 9 9 PRO HD3 H 1 3.689 0.020 . 2 . . . . A 8 PRO HD3 . 30551 1 67 . 1 1 9 9 PRO CA C 13 63.191 0.400 . 1 . . . . A 8 PRO CA . 30551 1 68 . 1 1 9 9 PRO CB C 13 32.403 0.400 . 1 . . . . A 8 PRO CB . 30551 1 69 . 1 1 9 9 PRO CG C 13 26.947 0.400 . 1 . . . . A 8 PRO CG . 30551 1 70 . 1 1 9 9 PRO CD C 13 50.132 0.400 . 1 . . . . A 8 PRO CD . 30551 1 71 . 1 1 10 10 ILE H H 1 8.051 0.020 . 1 . . . . A 9 ILE H . 30551 1 72 . 1 1 10 10 ILE HA H 1 4.049 0.020 . 1 . . . . A 9 ILE HA . 30551 1 73 . 1 1 10 10 ILE HB H 1 1.657 0.020 . 1 . . . . A 9 ILE HB . 30551 1 74 . 1 1 10 10 ILE HG12 H 1 0.873 0.020 . 2 . . . . A 9 ILE HG12 . 30551 1 75 . 1 1 10 10 ILE HG13 H 1 1.556 0.020 . 2 . . . . A 9 ILE HG13 . 30551 1 76 . 1 1 10 10 ILE HG21 H 1 0.680 0.020 . 1 . . . . A 9 ILE HG21 . 30551 1 77 . 1 1 10 10 ILE HG22 H 1 0.680 0.020 . 1 . . . . A 9 ILE HG22 . 30551 1 78 . 1 1 10 10 ILE HG23 H 1 0.680 0.020 . 1 . . . . A 9 ILE HG23 . 30551 1 79 . 1 1 10 10 ILE HD11 H 1 0.786 0.020 . 1 . . . . A 9 ILE HD11 . 30551 1 80 . 1 1 10 10 ILE HD12 H 1 0.786 0.020 . 1 . . . . A 9 ILE HD12 . 30551 1 81 . 1 1 10 10 ILE HD13 H 1 0.786 0.020 . 1 . . . . A 9 ILE HD13 . 30551 1 82 . 1 1 10 10 ILE CA C 13 61.686 0.400 . 1 . . . . A 9 ILE CA . 30551 1 83 . 1 1 10 10 ILE CB C 13 38.245 0.400 . 1 . . . . A 9 ILE CB . 30551 1 84 . 1 1 10 10 ILE CG1 C 13 26.989 0.400 . 1 . . . . A 9 ILE CG1 . 30551 1 85 . 1 1 10 10 ILE CG2 C 13 17.358 0.400 . 1 . . . . A 9 ILE CG2 . 30551 1 86 . 1 1 10 10 ILE CD1 C 13 13.829 0.400 . 1 . . . . A 9 ILE CD1 . 30551 1 87 . 1 1 10 10 ILE N N 15 118.867 0.400 . 1 . . . . A 9 ILE N . 30551 1 88 . 1 1 11 11 LYS H H 1 7.878 0.020 . 1 . . . . A 10 LYS H . 30551 1 89 . 1 1 11 11 LYS HA H 1 4.513 0.020 . 1 . . . . A 10 LYS HA . 30551 1 90 . 1 1 11 11 LYS HB2 H 1 1.852 0.020 . 2 . . . . A 10 LYS HB2 . 30551 1 91 . 1 1 11 11 LYS HB3 H 1 1.852 0.020 . 2 . . . . A 10 LYS HB3 . 30551 1 92 . 1 1 11 11 LYS HG2 H 1 1.472 0.020 . 2 . . . . A 10 LYS HG2 . 30551 1 93 . 1 1 11 11 LYS HG3 H 1 1.288 0.020 . 2 . . . . A 10 LYS HG3 . 30551 1 94 . 1 1 11 11 LYS HD2 H 1 1.713 0.020 . 2 . . . . A 10 LYS HD2 . 30551 1 95 . 1 1 11 11 LYS HD3 H 1 1.713 0.020 . 2 . . . . A 10 LYS HD3 . 30551 1 96 . 1 1 11 11 LYS HE2 H 1 3.013 0.020 . 2 . . . . A 10 LYS HE2 . 30551 1 97 . 1 1 11 11 LYS HE3 H 1 3.013 0.020 . 2 . . . . A 10 LYS HE3 . 30551 1 98 . 1 1 11 11 LYS CA C 13 54.728 0.400 . 1 . . . . A 10 LYS CA . 30551 1 99 . 1 1 11 11 LYS CB C 13 34.539 0.400 . 1 . . . . A 10 LYS CB . 30551 1 100 . 1 1 11 11 LYS CG C 13 24.711 0.400 . 1 . . . . A 10 LYS CG . 30551 1 101 . 1 1 11 11 LYS CD C 13 28.863 0.400 . 1 . . . . A 10 LYS CD . 30551 1 102 . 1 1 11 11 LYS CE C 13 41.826 0.400 . 1 . . . . A 10 LYS CE . 30551 1 103 . 1 1 11 11 LYS N N 15 128.918 0.400 . 1 . . . . A 10 LYS N . 30551 1 104 . 1 1 12 12 ASP H H 1 8.570 0.020 . 1 . . . . A 11 ASP H . 30551 1 105 . 1 1 12 12 ASP HA H 1 5.133 0.020 . 1 . . . . A 11 ASP HA . 30551 1 106 . 1 1 12 12 ASP HB2 H 1 2.583 0.020 . 2 . . . . A 11 ASP HB2 . 30551 1 107 . 1 1 12 12 ASP HB3 H 1 2.583 0.020 . 2 . . . . A 11 ASP HB3 . 30551 1 108 . 1 1 12 12 ASP CA C 13 55.299 0.400 . 1 . . . . A 11 ASP CA . 30551 1 109 . 1 1 12 12 ASP CB C 13 41.643 0.400 . 1 . . . . A 11 ASP CB . 30551 1 110 . 1 1 12 12 ASP N N 15 124.021 0.400 . 1 . . . . A 11 ASP N . 30551 1 111 . 1 1 13 13 LEU H H 1 9.145 0.020 . 1 . . . . A 12 LEU H . 30551 1 112 . 1 1 13 13 LEU HA H 1 4.722 0.020 . 1 . . . . A 12 LEU HA . 30551 1 113 . 1 1 13 13 LEU HB2 H 1 1.614 0.020 . 2 . . . . A 12 LEU HB2 . 30551 1 114 . 1 1 13 13 LEU HB3 H 1 1.332 0.020 . 2 . . . . A 12 LEU HB3 . 30551 1 115 . 1 1 13 13 LEU HG H 1 2.023 0.020 . 1 . . . . A 12 LEU HG . 30551 1 116 . 1 1 13 13 LEU HD11 H 1 0.954 0.020 . 2 . . . . A 12 LEU HD11 . 30551 1 117 . 1 1 13 13 LEU HD12 H 1 0.954 0.020 . 2 . . . . A 12 LEU HD12 . 30551 1 118 . 1 1 13 13 LEU HD13 H 1 0.954 0.020 . 2 . . . . A 12 LEU HD13 . 30551 1 119 . 1 1 13 13 LEU HD21 H 1 0.857 0.020 . 2 . . . . A 12 LEU HD21 . 30551 1 120 . 1 1 13 13 LEU HD22 H 1 0.857 0.020 . 2 . . . . A 12 LEU HD22 . 30551 1 121 . 1 1 13 13 LEU HD23 H 1 0.857 0.020 . 2 . . . . A 12 LEU HD23 . 30551 1 122 . 1 1 13 13 LEU CA C 13 54.481 0.400 . 1 . . . . A 12 LEU CA . 30551 1 123 . 1 1 13 13 LEU CB C 13 45.497 0.400 . 1 . . . . A 12 LEU CB . 30551 1 124 . 1 1 13 13 LEU CG C 13 26.470 0.400 . 1 . . . . A 12 LEU CG . 30551 1 125 . 1 1 13 13 LEU CD1 C 13 26.441 0.400 . 2 . . . . A 12 LEU CD1 . 30551 1 126 . 1 1 13 13 LEU CD2 C 13 27.268 0.400 . 2 . . . . A 12 LEU CD2 . 30551 1 127 . 1 1 13 13 LEU N N 15 126.882 0.400 . 1 . . . . A 12 LEU N . 30551 1 128 . 1 1 14 14 THR H H 1 8.298 0.020 . 1 . . . . A 13 THR H . 30551 1 129 . 1 1 14 14 THR HA H 1 4.739 0.020 . 1 . . . . A 13 THR HA . 30551 1 130 . 1 1 14 14 THR HB H 1 4.488 0.020 . 1 . . . . A 13 THR HB . 30551 1 131 . 1 1 14 14 THR HG21 H 1 1.254 0.020 . 1 . . . . A 13 THR HG21 . 30551 1 132 . 1 1 14 14 THR HG22 H 1 1.254 0.020 . 1 . . . . A 13 THR HG22 . 30551 1 133 . 1 1 14 14 THR HG23 H 1 1.254 0.020 . 1 . . . . A 13 THR HG23 . 30551 1 134 . 1 1 14 14 THR CA C 13 59.251 0.400 . 1 . . . . A 13 THR CA . 30551 1 135 . 1 1 14 14 THR CB C 13 71.716 0.400 . 1 . . . . A 13 THR CB . 30551 1 136 . 1 1 14 14 THR CG2 C 13 21.122 0.400 . 1 . . . . A 13 THR CG2 . 30551 1 137 . 1 1 14 14 THR N N 15 116.463 0.400 . 1 . . . . A 13 THR N . 30551 1 138 . 1 1 15 15 THR H H 1 8.458 0.020 . 1 . . . . A 14 THR H . 30551 1 139 . 1 1 15 15 THR HA H 1 3.688 0.020 . 1 . . . . A 14 THR HA . 30551 1 140 . 1 1 15 15 THR HB H 1 4.200 0.020 . 1 . . . . A 14 THR HB . 30551 1 141 . 1 1 15 15 THR HG21 H 1 1.172 0.020 . 1 . . . . A 14 THR HG21 . 30551 1 142 . 1 1 15 15 THR HG22 H 1 1.172 0.020 . 1 . . . . A 14 THR HG22 . 30551 1 143 . 1 1 15 15 THR HG23 H 1 1.172 0.020 . 1 . . . . A 14 THR HG23 . 30551 1 144 . 1 1 15 15 THR CA C 13 68.500 0.400 . 1 . . . . A 14 THR CA . 30551 1 145 . 1 1 15 15 THR CB C 13 68.364 0.400 . 1 . . . . A 14 THR CB . 30551 1 146 . 1 1 15 15 THR CG2 C 13 21.421 0.400 . 1 . . . . A 14 THR CG2 . 30551 1 147 . 1 1 15 15 THR N N 15 119.008 0.400 . 1 . . . . A 14 THR N . 30551 1 148 . 1 1 16 16 ALA H H 1 8.492 0.020 . 1 . . . . A 15 ALA H . 30551 1 149 . 1 1 16 16 ALA HA H 1 4.202 0.020 . 1 . . . . A 15 ALA HA . 30551 1 150 . 1 1 16 16 ALA HB1 H 1 1.468 0.020 . 1 . . . . A 15 ALA HB1 . 30551 1 151 . 1 1 16 16 ALA HB2 H 1 1.468 0.020 . 1 . . . . A 15 ALA HB2 . 30551 1 152 . 1 1 16 16 ALA HB3 H 1 1.468 0.020 . 1 . . . . A 15 ALA HB3 . 30551 1 153 . 1 1 16 16 ALA CA C 13 54.219 0.400 . 1 . . . . A 15 ALA CA . 30551 1 154 . 1 1 16 16 ALA CB C 13 18.326 0.400 . 1 . . . . A 15 ALA CB . 30551 1 155 . 1 1 16 16 ALA N N 15 122.110 0.400 . 1 . . . . A 15 ALA N . 30551 1 156 . 1 1 17 17 GLU H H 1 7.732 0.020 . 1 . . . . A 16 GLU H . 30551 1 157 . 1 1 17 17 GLU HA H 1 4.428 0.020 . 1 . . . . A 16 GLU HA . 30551 1 158 . 1 1 17 17 GLU HB2 H 1 2.321 0.020 . 2 . . . . A 16 GLU HB2 . 30551 1 159 . 1 1 17 17 GLU HB3 H 1 2.425 0.020 . 2 . . . . A 16 GLU HB3 . 30551 1 160 . 1 1 17 17 GLU HG2 H 1 2.250 0.020 . 2 . . . . A 16 GLU HG2 . 30551 1 161 . 1 1 17 17 GLU HG3 H 1 2.183 0.020 . 2 . . . . A 16 GLU HG3 . 30551 1 162 . 1 1 17 17 GLU CA C 13 56.097 0.400 . 1 . . . . A 16 GLU CA . 30551 1 163 . 1 1 17 17 GLU CB C 13 31.913 0.400 . 1 . . . . A 16 GLU CB . 30551 1 164 . 1 1 17 17 GLU CG C 13 37.332 0.400 . 1 . . . . A 16 GLU CG . 30551 1 165 . 1 1 17 17 GLU N N 15 115.776 0.400 . 1 . . . . A 16 GLU N . 30551 1 166 . 1 1 18 18 TRP H H 1 7.837 0.020 . 1 . . . . A 17 TRP H . 30551 1 167 . 1 1 18 18 TRP HA H 1 4.406 0.020 . 1 . . . . A 17 TRP HA . 30551 1 168 . 1 1 18 18 TRP HB2 H 1 3.464 0.020 . 2 . . . . A 17 TRP HB2 . 30551 1 169 . 1 1 18 18 TRP HB3 H 1 3.316 0.020 . 2 . . . . A 17 TRP HB3 . 30551 1 170 . 1 1 18 18 TRP HD1 H 1 7.353 0.020 . 1 . . . . A 17 TRP HD1 . 30551 1 171 . 1 1 18 18 TRP HE1 H 1 10.309 0.020 . 1 . . . . A 17 TRP HE1 . 30551 1 172 . 1 1 18 18 TRP HE3 H 1 7.319 0.020 . 1 . . . . A 17 TRP HE3 . 30551 1 173 . 1 1 18 18 TRP HZ2 H 1 7.104 0.020 . 1 . . . . A 17 TRP HZ2 . 30551 1 174 . 1 1 18 18 TRP HZ3 H 1 6.560 0.020 . 1 . . . . A 17 TRP HZ3 . 30551 1 175 . 1 1 18 18 TRP HH2 H 1 6.687 0.020 . 1 . . . . A 17 TRP HH2 . 30551 1 176 . 1 1 18 18 TRP CA C 13 60.589 0.400 . 1 . . . . A 17 TRP CA . 30551 1 177 . 1 1 18 18 TRP CB C 13 30.860 0.400 . 1 . . . . A 17 TRP CB . 30551 1 178 . 1 1 18 18 TRP CD1 C 13 126.907 0.400 . 1 . . . . A 17 TRP CD1 . 30551 1 179 . 1 1 18 18 TRP CE3 C 13 121.397 0.400 . 1 . . . . A 17 TRP CE3 . 30551 1 180 . 1 1 18 18 TRP CZ2 C 13 114.044 0.400 . 1 . . . . A 17 TRP CZ2 . 30551 1 181 . 1 1 18 18 TRP CZ3 C 13 119.336 0.400 . 1 . . . . A 17 TRP CZ3 . 30551 1 182 . 1 1 18 18 TRP CH2 C 13 122.311 0.400 . 1 . . . . A 17 TRP CH2 . 30551 1 183 . 1 1 18 18 TRP N N 15 121.461 0.400 . 1 . . . . A 17 TRP N . 30551 1 184 . 1 1 18 18 TRP NE1 N 15 127.428 0.400 . 1 . . . . A 17 TRP NE1 . 30551 1 185 . 1 1 19 19 GLU H H 1 8.812 0.020 . 1 . . . . A 18 GLU H . 30551 1 186 . 1 1 19 19 GLU HA H 1 3.839 0.020 . 1 . . . . A 18 GLU HA . 30551 1 187 . 1 1 19 19 GLU HB2 H 1 2.167 0.020 . 2 . . . . A 18 GLU HB2 . 30551 1 188 . 1 1 19 19 GLU HB3 H 1 2.167 0.020 . 2 . . . . A 18 GLU HB3 . 30551 1 189 . 1 1 19 19 GLU HG2 H 1 2.311 0.020 . 2 . . . . A 18 GLU HG2 . 30551 1 190 . 1 1 19 19 GLU HG3 H 1 2.168 0.020 . 2 . . . . A 18 GLU HG3 . 30551 1 191 . 1 1 19 19 GLU CA C 13 60.232 0.400 . 1 . . . . A 18 GLU CA . 30551 1 192 . 1 1 19 19 GLU CB C 13 28.881 0.400 . 1 . . . . A 18 GLU CB . 30551 1 193 . 1 1 19 19 GLU CG C 13 36.838 0.400 . 1 . . . . A 18 GLU CG . 30551 1 194 . 1 1 19 19 GLU N N 15 117.094 0.400 . 1 . . . . A 18 GLU N . 30551 1 195 . 1 1 20 20 GLU H H 1 8.523 0.020 . 1 . . . . A 19 GLU H . 30551 1 196 . 1 1 20 20 GLU HA H 1 3.817 0.020 . 1 . . . . A 19 GLU HA . 30551 1 197 . 1 1 20 20 GLU HB2 H 1 2.076 0.020 . 2 . . . . A 19 GLU HB2 . 30551 1 198 . 1 1 20 20 GLU HB3 H 1 2.292 0.020 . 2 . . . . A 19 GLU HB3 . 30551 1 199 . 1 1 20 20 GLU HG2 H 1 2.285 0.020 . 2 . . . . A 19 GLU HG2 . 30551 1 200 . 1 1 20 20 GLU HG3 H 1 2.285 0.020 . 2 . . . . A 19 GLU HG3 . 30551 1 201 . 1 1 20 20 GLU CA C 13 58.977 0.400 . 1 . . . . A 19 GLU CA . 30551 1 202 . 1 1 20 20 GLU CB C 13 29.204 0.400 . 1 . . . . A 19 GLU CB . 30551 1 203 . 1 1 20 20 GLU CG C 13 36.363 0.400 . 1 . . . . A 19 GLU CG . 30551 1 204 . 1 1 20 20 GLU N N 15 119.496 0.400 . 1 . . . . A 19 GLU N . 30551 1 205 . 1 1 21 21 ALA H H 1 7.802 0.020 . 1 . . . . A 20 ALA H . 30551 1 206 . 1 1 21 21 ALA HA H 1 4.026 0.020 . 1 . . . . A 20 ALA HA . 30551 1 207 . 1 1 21 21 ALA HB1 H 1 1.287 0.020 . 1 . . . . A 20 ALA HB1 . 30551 1 208 . 1 1 21 21 ALA HB2 H 1 1.287 0.020 . 1 . . . . A 20 ALA HB2 . 30551 1 209 . 1 1 21 21 ALA HB3 H 1 1.287 0.020 . 1 . . . . A 20 ALA HB3 . 30551 1 210 . 1 1 21 21 ALA CA C 13 54.518 0.400 . 1 . . . . A 20 ALA CA . 30551 1 211 . 1 1 21 21 ALA CB C 13 18.815 0.400 . 1 . . . . A 20 ALA CB . 30551 1 212 . 1 1 21 21 ALA N N 15 119.273 0.400 . 1 . . . . A 20 ALA N . 30551 1 213 . 1 1 22 22 VAL H H 1 7.337 0.020 . 1 . . . . A 21 VAL H . 30551 1 214 . 1 1 22 22 VAL HA H 1 4.378 0.020 . 1 . . . . A 21 VAL HA . 30551 1 215 . 1 1 22 22 VAL HB H 1 1.207 0.020 . 1 . . . . A 21 VAL HB . 30551 1 216 . 1 1 22 22 VAL HG11 H 1 -0.338 0.020 . 2 . . . . A 21 VAL HG11 . 30551 1 217 . 1 1 22 22 VAL HG12 H 1 -0.338 0.020 . 2 . . . . A 21 VAL HG12 . 30551 1 218 . 1 1 22 22 VAL HG13 H 1 -0.338 0.020 . 2 . . . . A 21 VAL HG13 . 30551 1 219 . 1 1 22 22 VAL HG21 H 1 -0.558 0.020 . 2 . . . . A 21 VAL HG21 . 30551 1 220 . 1 1 22 22 VAL HG22 H 1 -0.558 0.020 . 2 . . . . A 21 VAL HG22 . 30551 1 221 . 1 1 22 22 VAL HG23 H 1 -0.558 0.020 . 2 . . . . A 21 VAL HG23 . 30551 1 222 . 1 1 22 22 VAL CA C 13 61.270 0.400 . 1 . . . . A 21 VAL CA . 30551 1 223 . 1 1 22 22 VAL CB C 13 32.850 0.400 . 1 . . . . A 21 VAL CB . 30551 1 224 . 1 1 22 22 VAL CG1 C 13 20.345 0.400 . 2 . . . . A 21 VAL CG1 . 30551 1 225 . 1 1 22 22 VAL CG2 C 13 17.808 0.400 . 2 . . . . A 21 VAL CG2 . 30551 1 226 . 1 1 22 22 VAL N N 15 105.635 0.400 . 1 . . . . A 21 VAL N . 30551 1 227 . 1 1 23 23 PHE H H 1 7.839 0.020 . 1 . . . . A 22 PHE H . 30551 1 228 . 1 1 23 23 PHE HA H 1 4.682 0.020 . 1 . . . . A 22 PHE HA . 30551 1 229 . 1 1 23 23 PHE HB2 H 1 3.073 0.020 . 2 . . . . A 22 PHE HB2 . 30551 1 230 . 1 1 23 23 PHE HB3 H 1 3.073 0.020 . 2 . . . . A 22 PHE HB3 . 30551 1 231 . 1 1 23 23 PHE HD1 H 1 7.177 0.020 . 1 . . . . A 22 PHE HD1 . 30551 1 232 . 1 1 23 23 PHE HD2 H 1 7.177 0.020 . 1 . . . . A 22 PHE HD2 . 30551 1 233 . 1 1 23 23 PHE HE1 H 1 7.196 0.020 . 1 . . . . A 22 PHE HE1 . 30551 1 234 . 1 1 23 23 PHE HE2 H 1 7.196 0.020 . 1 . . . . A 22 PHE HE2 . 30551 1 235 . 1 1 23 23 PHE CA C 13 58.201 0.400 . 1 . . . . A 22 PHE CA . 30551 1 236 . 1 1 23 23 PHE CB C 13 39.440 0.400 . 1 . . . . A 22 PHE CB . 30551 1 237 . 1 1 23 23 PHE CD1 C 13 131.691 0.400 . 3 . . . . A 22 PHE CD1 . 30551 1 238 . 1 1 23 23 PHE CE1 C 13 130.881 0.400 . 3 . . . . A 22 PHE CE1 . 30551 1 239 . 1 1 23 23 PHE N N 15 116.170 0.400 . 1 . . . . A 22 PHE N . 30551 1 240 . 1 1 24 24 LYS H H 1 7.428 0.020 . 1 . . . . A 23 LYS H . 30551 1 241 . 1 1 24 24 LYS HA H 1 4.271 0.020 . 1 . . . . A 23 LYS HA . 30551 1 242 . 1 1 24 24 LYS HB2 H 1 2.023 0.020 . 2 . . . . A 23 LYS HB2 . 30551 1 243 . 1 1 24 24 LYS HB3 H 1 2.061 0.020 . 2 . . . . A 23 LYS HB3 . 30551 1 244 . 1 1 24 24 LYS HG2 H 1 1.501 0.020 . 2 . . . . A 23 LYS HG2 . 30551 1 245 . 1 1 24 24 LYS HG3 H 1 1.381 0.020 . 2 . . . . A 23 LYS HG3 . 30551 1 246 . 1 1 24 24 LYS HD2 H 1 1.643 0.020 . 2 . . . . A 23 LYS HD2 . 30551 1 247 . 1 1 24 24 LYS HD3 H 1 1.643 0.020 . 2 . . . . A 23 LYS HD3 . 30551 1 248 . 1 1 24 24 LYS HE2 H 1 2.942 0.020 . 2 . . . . A 23 LYS HE2 . 30551 1 249 . 1 1 24 24 LYS HE3 H 1 2.942 0.020 . 2 . . . . A 23 LYS HE3 . 30551 1 250 . 1 1 24 24 LYS CA C 13 56.776 0.400 . 1 . . . . A 23 LYS CA . 30551 1 251 . 1 1 24 24 LYS CB C 13 31.644 0.400 . 1 . . . . A 23 LYS CB . 30551 1 252 . 1 1 24 24 LYS CG C 13 25.102 0.400 . 1 . . . . A 23 LYS CG . 30551 1 253 . 1 1 24 24 LYS CD C 13 28.302 0.400 . 1 . . . . A 23 LYS CD . 30551 1 254 . 1 1 24 24 LYS CE C 13 41.847 0.400 . 1 . . . . A 23 LYS CE . 30551 1 255 . 1 1 24 24 LYS N N 15 117.152 0.400 . 1 . . . . A 23 LYS N . 30551 1 256 . 1 1 25 25 ASP H H 1 6.569 0.020 . 1 . . . . A 24 ASP H . 30551 1 257 . 1 1 25 25 ASP HA H 1 4.600 0.020 . 1 . . . . A 24 ASP HA . 30551 1 258 . 1 1 25 25 ASP HB2 H 1 2.783 0.020 . 2 . . . . A 24 ASP HB2 . 30551 1 259 . 1 1 25 25 ASP HB3 H 1 2.385 0.020 . 2 . . . . A 24 ASP HB3 . 30551 1 260 . 1 1 25 25 ASP CA C 13 52.593 0.400 . 1 . . . . A 24 ASP CA . 30551 1 261 . 1 1 25 25 ASP CB C 13 40.882 0.400 . 1 . . . . A 24 ASP CB . 30551 1 262 . 1 1 25 25 ASP N N 15 118.482 0.400 . 1 . . . . A 24 ASP N . 30551 1 263 . 1 1 26 26 ILE H H 1 7.444 0.020 . 1 . . . . A 25 ILE H . 30551 1 264 . 1 1 26 26 ILE HA H 1 4.619 0.020 . 1 . . . . A 25 ILE HA . 30551 1 265 . 1 1 26 26 ILE HB H 1 2.042 0.020 . 1 . . . . A 25 ILE HB . 30551 1 266 . 1 1 26 26 ILE HG12 H 1 1.133 0.020 . 2 . . . . A 25 ILE HG12 . 30551 1 267 . 1 1 26 26 ILE HG13 H 1 1.133 0.020 . 2 . . . . A 25 ILE HG13 . 30551 1 268 . 1 1 26 26 ILE HG21 H 1 0.755 0.020 . 1 . . . . A 25 ILE HG21 . 30551 1 269 . 1 1 26 26 ILE HG22 H 1 0.755 0.020 . 1 . . . . A 25 ILE HG22 . 30551 1 270 . 1 1 26 26 ILE HG23 H 1 0.755 0.020 . 1 . . . . A 25 ILE HG23 . 30551 1 271 . 1 1 26 26 ILE HD11 H 1 0.818 0.020 . 1 . . . . A 25 ILE HD11 . 30551 1 272 . 1 1 26 26 ILE HD12 H 1 0.818 0.020 . 1 . . . . A 25 ILE HD12 . 30551 1 273 . 1 1 26 26 ILE HD13 H 1 0.818 0.020 . 1 . . . . A 25 ILE HD13 . 30551 1 274 . 1 1 26 26 ILE CA C 13 59.699 0.400 . 1 . . . . A 25 ILE CA . 30551 1 275 . 1 1 26 26 ILE CB C 13 37.962 0.400 . 1 . . . . A 25 ILE CB . 30551 1 276 . 1 1 26 26 ILE CG1 C 13 25.659 0.400 . 1 . . . . A 25 ILE CG1 . 30551 1 277 . 1 1 26 26 ILE CG2 C 13 17.283 0.400 . 1 . . . . A 25 ILE CG2 . 30551 1 278 . 1 1 26 26 ILE CD1 C 13 14.424 0.400 . 1 . . . . A 25 ILE CD1 . 30551 1 279 . 1 1 26 26 ILE N N 15 113.714 0.400 . 1 . . . . A 25 ILE N . 30551 1 280 . 1 1 27 27 SER H H 1 8.403 0.020 . 1 . . . . A 26 SER H . 30551 1 281 . 1 1 27 27 SER HA H 1 4.383 0.020 . 1 . . . . A 26 SER HA . 30551 1 282 . 1 1 27 27 SER HB2 H 1 3.967 0.020 . 2 . . . . A 26 SER HB2 . 30551 1 283 . 1 1 27 27 SER HB3 H 1 4.153 0.020 . 2 . . . . A 26 SER HB3 . 30551 1 284 . 1 1 27 27 SER CA C 13 57.696 0.400 . 1 . . . . A 26 SER CA . 30551 1 285 . 1 1 27 27 SER CB C 13 61.301 0.400 . 1 . . . . A 26 SER CB . 30551 1 286 . 1 1 27 27 SER N N 15 120.534 0.400 . 1 . . . . A 26 SER N . 30551 1 287 . 1 1 28 28 PRO HA H 1 4.001 0.020 . 1 . . . . A 27 PRO HA . 30551 1 288 . 1 1 28 28 PRO HB2 H 1 1.219 0.020 . 2 . . . . A 27 PRO HB2 . 30551 1 289 . 1 1 28 28 PRO HB3 H 1 0.434 0.020 . 2 . . . . A 27 PRO HB3 . 30551 1 290 . 1 1 28 28 PRO HG2 H 1 1.900 0.020 . 2 . . . . A 27 PRO HG2 . 30551 1 291 . 1 1 28 28 PRO HG3 H 1 1.444 0.020 . 2 . . . . A 27 PRO HG3 . 30551 1 292 . 1 1 28 28 PRO CA C 13 65.114 0.400 . 1 . . . . A 27 PRO CA . 30551 1 293 . 1 1 28 28 PRO CB C 13 31.381 0.400 . 1 . . . . A 27 PRO CB . 30551 1 294 . 1 1 28 28 PRO CG C 13 28.159 0.400 . 1 . . . . A 27 PRO CG . 30551 1 295 . 1 1 29 29 LEU H H 1 7.334 0.020 . 1 . . . . A 28 LEU H . 30551 1 296 . 1 1 29 29 LEU HA H 1 4.871 0.020 . 1 . . . . A 28 LEU HA . 30551 1 297 . 1 1 29 29 LEU HB2 H 1 1.439 0.020 . 2 . . . . A 28 LEU HB2 . 30551 1 298 . 1 1 29 29 LEU HB3 H 1 1.217 0.020 . 2 . . . . A 28 LEU HB3 . 30551 1 299 . 1 1 29 29 LEU HG H 1 1.018 0.020 . 1 . . . . A 28 LEU HG . 30551 1 300 . 1 1 29 29 LEU HD11 H 1 0.641 0.020 . 2 . . . . A 28 LEU HD11 . 30551 1 301 . 1 1 29 29 LEU HD12 H 1 0.641 0.020 . 2 . . . . A 28 LEU HD12 . 30551 1 302 . 1 1 29 29 LEU HD13 H 1 0.641 0.020 . 2 . . . . A 28 LEU HD13 . 30551 1 303 . 1 1 29 29 LEU HD21 H 1 0.443 0.020 . 2 . . . . A 28 LEU HD21 . 30551 1 304 . 1 1 29 29 LEU HD22 H 1 0.443 0.020 . 2 . . . . A 28 LEU HD22 . 30551 1 305 . 1 1 29 29 LEU HD23 H 1 0.443 0.020 . 2 . . . . A 28 LEU HD23 . 30551 1 306 . 1 1 29 29 LEU CA C 13 54.223 0.400 . 1 . . . . A 28 LEU CA . 30551 1 307 . 1 1 29 29 LEU CB C 13 42.945 0.400 . 1 . . . . A 28 LEU CB . 30551 1 308 . 1 1 29 29 LEU CG C 13 26.831 0.400 . 1 . . . . A 28 LEU CG . 30551 1 309 . 1 1 29 29 LEU CD1 C 13 25.038 0.400 . 2 . . . . A 28 LEU CD1 . 30551 1 310 . 1 1 29 29 LEU CD2 C 13 25.878 0.400 . 2 . . . . A 28 LEU CD2 . 30551 1 311 . 1 1 29 29 LEU N N 15 123.687 0.400 . 1 . . . . A 28 LEU N . 30551 1 312 . 1 1 30 30 MET H H 1 9.252 0.020 . 1 . . . . A 29 MET H . 30551 1 313 . 1 1 30 30 MET HA H 1 5.320 0.020 . 1 . . . . A 29 MET HA . 30551 1 314 . 1 1 30 30 MET HB2 H 1 2.226 0.020 . 2 . . . . A 29 MET HB2 . 30551 1 315 . 1 1 30 30 MET HB3 H 1 1.493 0.020 . 2 . . . . A 29 MET HB3 . 30551 1 316 . 1 1 30 30 MET HG2 H 1 2.582 0.020 . 2 . . . . A 29 MET HG2 . 30551 1 317 . 1 1 30 30 MET HG3 H 1 2.086 0.020 . 2 . . . . A 29 MET HG3 . 30551 1 318 . 1 1 30 30 MET HE1 H 1 1.824 0.020 . 1 . . . . A 29 MET HE1 . 30551 1 319 . 1 1 30 30 MET HE2 H 1 1.824 0.020 . 1 . . . . A 29 MET HE2 . 30551 1 320 . 1 1 30 30 MET HE3 H 1 1.824 0.020 . 1 . . . . A 29 MET HE3 . 30551 1 321 . 1 1 30 30 MET CA C 13 53.830 0.400 . 1 . . . . A 29 MET CA . 30551 1 322 . 1 1 30 30 MET CB C 13 34.757 0.400 . 1 . . . . A 29 MET CB . 30551 1 323 . 1 1 30 30 MET CG C 13 31.178 0.400 . 1 . . . . A 29 MET CG . 30551 1 324 . 1 1 30 30 MET CE C 13 16.750 0.400 . 1 . . . . A 29 MET CE . 30551 1 325 . 1 1 30 30 MET N N 15 130.595 0.400 . 1 . . . . A 29 MET N . 30551 1 326 . 1 1 31 31 VAL H H 1 9.248 0.020 . 1 . . . . A 30 VAL H . 30551 1 327 . 1 1 31 31 VAL HA H 1 4.688 0.020 . 1 . . . . A 30 VAL HA . 30551 1 328 . 1 1 31 31 VAL HB H 1 2.140 0.020 . 1 . . . . A 30 VAL HB . 30551 1 329 . 1 1 31 31 VAL HG11 H 1 0.861 0.020 . 2 . . . . A 30 VAL HG11 . 30551 1 330 . 1 1 31 31 VAL HG12 H 1 0.861 0.020 . 2 . . . . A 30 VAL HG12 . 30551 1 331 . 1 1 31 31 VAL HG13 H 1 0.861 0.020 . 2 . . . . A 30 VAL HG13 . 30551 1 332 . 1 1 31 31 VAL HG21 H 1 0.810 0.020 . 2 . . . . A 30 VAL HG21 . 30551 1 333 . 1 1 31 31 VAL HG22 H 1 0.810 0.020 . 2 . . . . A 30 VAL HG22 . 30551 1 334 . 1 1 31 31 VAL HG23 H 1 0.810 0.020 . 2 . . . . A 30 VAL HG23 . 30551 1 335 . 1 1 31 31 VAL CA C 13 59.932 0.400 . 1 . . . . A 30 VAL CA . 30551 1 336 . 1 1 31 31 VAL CB C 13 34.146 0.400 . 1 . . . . A 30 VAL CB . 30551 1 337 . 1 1 31 31 VAL CG1 C 13 19.675 0.400 . 2 . . . . A 30 VAL CG1 . 30551 1 338 . 1 1 31 31 VAL CG2 C 13 21.614 0.400 . 2 . . . . A 30 VAL CG2 . 30551 1 339 . 1 1 31 31 VAL N N 15 122.195 0.400 . 1 . . . . A 30 VAL N . 30551 1 340 . 1 1 32 32 LEU H H 1 9.617 0.020 . 1 . . . . A 31 LEU H . 30551 1 341 . 1 1 32 32 LEU HA H 1 5.027 0.020 . 1 . . . . A 31 LEU HA . 30551 1 342 . 1 1 32 32 LEU HB2 H 1 2.002 0.020 . 2 . . . . A 31 LEU HB2 . 30551 1 343 . 1 1 32 32 LEU HB3 H 1 1.114 0.020 . 2 . . . . A 31 LEU HB3 . 30551 1 344 . 1 1 32 32 LEU HG H 1 1.556 0.020 . 1 . . . . A 31 LEU HG . 30551 1 345 . 1 1 32 32 LEU HD11 H 1 0.996 0.020 . 2 . . . . A 31 LEU HD11 . 30551 1 346 . 1 1 32 32 LEU HD12 H 1 0.996 0.020 . 2 . . . . A 31 LEU HD12 . 30551 1 347 . 1 1 32 32 LEU HD13 H 1 0.996 0.020 . 2 . . . . A 31 LEU HD13 . 30551 1 348 . 1 1 32 32 LEU HD21 H 1 0.828 0.020 . 2 . . . . A 31 LEU HD21 . 30551 1 349 . 1 1 32 32 LEU HD22 H 1 0.828 0.020 . 2 . . . . A 31 LEU HD22 . 30551 1 350 . 1 1 32 32 LEU HD23 H 1 0.828 0.020 . 2 . . . . A 31 LEU HD23 . 30551 1 351 . 1 1 32 32 LEU CA C 13 53.514 0.400 . 1 . . . . A 31 LEU CA . 30551 1 352 . 1 1 32 32 LEU CB C 13 42.320 0.400 . 1 . . . . A 31 LEU CB . 30551 1 353 . 1 1 32 32 LEU CG C 13 28.119 0.400 . 1 . . . . A 31 LEU CG . 30551 1 354 . 1 1 32 32 LEU CD1 C 13 23.675 0.400 . 2 . . . . A 31 LEU CD1 . 30551 1 355 . 1 1 32 32 LEU CD2 C 13 25.606 0.400 . 2 . . . . A 31 LEU CD2 . 30551 1 356 . 1 1 32 32 LEU N N 15 130.170 0.400 . 1 . . . . A 31 LEU N . 30551 1 357 . 1 1 33 33 VAL H H 1 9.584 0.020 . 1 . . . . A 32 VAL H . 30551 1 358 . 1 1 33 33 VAL HA H 1 4.892 0.020 . 1 . . . . A 32 VAL HA . 30551 1 359 . 1 1 33 33 VAL HB H 1 2.259 0.020 . 1 . . . . A 32 VAL HB . 30551 1 360 . 1 1 33 33 VAL HG11 H 1 1.059 0.020 . 2 . . . . A 32 VAL HG11 . 30551 1 361 . 1 1 33 33 VAL HG12 H 1 1.059 0.020 . 2 . . . . A 32 VAL HG12 . 30551 1 362 . 1 1 33 33 VAL HG13 H 1 1.059 0.020 . 2 . . . . A 32 VAL HG13 . 30551 1 363 . 1 1 33 33 VAL HG21 H 1 0.881 0.020 . 2 . . . . A 32 VAL HG21 . 30551 1 364 . 1 1 33 33 VAL HG22 H 1 0.881 0.020 . 2 . . . . A 32 VAL HG22 . 30551 1 365 . 1 1 33 33 VAL HG23 H 1 0.881 0.020 . 2 . . . . A 32 VAL HG23 . 30551 1 366 . 1 1 33 33 VAL CA C 13 61.933 0.400 . 1 . . . . A 32 VAL CA . 30551 1 367 . 1 1 33 33 VAL CB C 13 31.389 0.400 . 1 . . . . A 32 VAL CB . 30551 1 368 . 1 1 33 33 VAL CG1 C 13 23.253 0.400 . 2 . . . . A 32 VAL CG1 . 30551 1 369 . 1 1 33 33 VAL CG2 C 13 21.129 0.400 . 2 . . . . A 32 VAL CG2 . 30551 1 370 . 1 1 33 33 VAL N N 15 130.593 0.400 . 1 . . . . A 32 VAL N . 30551 1 371 . 1 1 34 34 HIS H H 1 8.402 0.020 . 1 . . . . A 33 HIS H . 30551 1 372 . 1 1 34 34 HIS HA H 1 5.170 0.020 . 1 . . . . A 33 HIS HA . 30551 1 373 . 1 1 34 34 HIS HB2 H 1 3.243 0.020 . 2 . . . . A 33 HIS HB2 . 30551 1 374 . 1 1 34 34 HIS HB3 H 1 2.648 0.020 . 2 . . . . A 33 HIS HB3 . 30551 1 375 . 1 1 34 34 HIS HD2 H 1 6.910 0.020 . 1 . . . . A 33 HIS HD2 . 30551 1 376 . 1 1 34 34 HIS HE1 H 1 7.533 0.020 . 1 . . . . A 33 HIS HE1 . 30551 1 377 . 1 1 34 34 HIS CA C 13 52.823 0.400 . 1 . . . . A 33 HIS CA . 30551 1 378 . 1 1 34 34 HIS CB C 13 35.127 0.400 . 1 . . . . A 33 HIS CB . 30551 1 379 . 1 1 34 34 HIS CD2 C 13 117.771 0.400 . 1 . . . . A 33 HIS CD2 . 30551 1 380 . 1 1 34 34 HIS CE1 C 13 138.791 0.400 . 1 . . . . A 33 HIS CE1 . 30551 1 381 . 1 1 34 34 HIS N N 15 122.565 0.400 . 1 . . . . A 33 HIS N . 30551 1 382 . 1 1 35 35 ASN H H 1 8.551 0.020 . 1 . . . . A 34 ASN H . 30551 1 383 . 1 1 35 35 ASN HA H 1 4.472 0.020 . 1 . . . . A 34 ASN HA . 30551 1 384 . 1 1 35 35 ASN HB2 H 1 2.292 0.020 . 2 . . . . A 34 ASN HB2 . 30551 1 385 . 1 1 35 35 ASN HB3 H 1 1.207 0.020 . 2 . . . . A 34 ASN HB3 . 30551 1 386 . 1 1 35 35 ASN HD21 H 1 6.774 0.020 . 2 . . . . A 34 ASN HD21 . 30551 1 387 . 1 1 35 35 ASN HD22 H 1 5.320 0.020 . 2 . . . . A 34 ASN HD22 . 30551 1 388 . 1 1 35 35 ASN CA C 13 51.535 0.400 . 1 . . . . A 34 ASN CA . 30551 1 389 . 1 1 35 35 ASN CB C 13 40.006 0.400 . 1 . . . . A 34 ASN CB . 30551 1 390 . 1 1 35 35 ASN N N 15 117.289 0.400 . 1 . . . . A 34 ASN N . 30551 1 391 . 1 1 35 35 ASN ND2 N 15 108.997 0.400 . 1 . . . . A 34 ASN ND2 . 30551 1 392 . 1 1 36 36 ARG H H 1 9.004 0.020 . 1 . . . . A 35 ARG H . 30551 1 393 . 1 1 36 36 ARG HA H 1 3.948 0.020 . 1 . . . . A 35 ARG HA . 30551 1 394 . 1 1 36 36 ARG HB2 H 1 1.629 0.020 . 2 . . . . A 35 ARG HB2 . 30551 1 395 . 1 1 36 36 ARG HB3 H 1 1.693 0.020 . 2 . . . . A 35 ARG HB3 . 30551 1 396 . 1 1 36 36 ARG HG2 H 1 1.084 0.020 . 2 . . . . A 35 ARG HG2 . 30551 1 397 . 1 1 36 36 ARG HG3 H 1 0.481 0.020 . 2 . . . . A 35 ARG HG3 . 30551 1 398 . 1 1 36 36 ARG HD2 H 1 2.862 0.020 . 2 . . . . A 35 ARG HD2 . 30551 1 399 . 1 1 36 36 ARG HD3 H 1 2.893 0.020 . 2 . . . . A 35 ARG HD3 . 30551 1 400 . 1 1 36 36 ARG CA C 13 57.563 0.400 . 1 . . . . A 35 ARG CA . 30551 1 401 . 1 1 36 36 ARG CB C 13 28.992 0.400 . 1 . . . . A 35 ARG CB . 30551 1 402 . 1 1 36 36 ARG CG C 13 24.988 0.400 . 1 . . . . A 35 ARG CG . 30551 1 403 . 1 1 36 36 ARG CD C 13 42.881 0.400 . 1 . . . . A 35 ARG CD . 30551 1 404 . 1 1 36 36 ARG N N 15 123.372 0.400 . 1 . . . . A 35 ARG N . 30551 1 405 . 1 1 37 37 TYR H H 1 8.128 0.020 . 1 . . . . A 36 TYR H . 30551 1 406 . 1 1 37 37 TYR HA H 1 4.578 0.020 . 1 . . . . A 36 TYR HA . 30551 1 407 . 1 1 37 37 TYR HB2 H 1 3.229 0.020 . 2 . . . . A 36 TYR HB2 . 30551 1 408 . 1 1 37 37 TYR HB3 H 1 2.760 0.020 . 2 . . . . A 36 TYR HB3 . 30551 1 409 . 1 1 37 37 TYR HD1 H 1 7.114 0.020 . 1 . . . . A 36 TYR HD1 . 30551 1 410 . 1 1 37 37 TYR HD2 H 1 7.114 0.020 . 1 . . . . A 36 TYR HD2 . 30551 1 411 . 1 1 37 37 TYR HE1 H 1 6.784 0.020 . 1 . . . . A 36 TYR HE1 . 30551 1 412 . 1 1 37 37 TYR HE2 H 1 6.784 0.020 . 1 . . . . A 36 TYR HE2 . 30551 1 413 . 1 1 37 37 TYR CA C 13 57.532 0.400 . 1 . . . . A 36 TYR CA . 30551 1 414 . 1 1 37 37 TYR CB C 13 37.889 0.400 . 1 . . . . A 36 TYR CB . 30551 1 415 . 1 1 37 37 TYR CD1 C 13 132.680 0.400 . 3 . . . . A 36 TYR CD1 . 30551 1 416 . 1 1 37 37 TYR CE1 C 13 117.977 0.400 . 3 . . . . A 36 TYR CE1 . 30551 1 417 . 1 1 37 37 TYR N N 15 117.092 0.400 . 1 . . . . A 36 TYR N . 30551 1 418 . 1 1 38 38 LYS H H 1 7.560 0.020 . 1 . . . . A 37 LYS H . 30551 1 419 . 1 1 38 38 LYS HA H 1 4.525 0.020 . 1 . . . . A 37 LYS HA . 30551 1 420 . 1 1 38 38 LYS HB2 H 1 1.892 0.020 . 2 . . . . A 37 LYS HB2 . 30551 1 421 . 1 1 38 38 LYS HB3 H 1 1.585 0.020 . 2 . . . . A 37 LYS HB3 . 30551 1 422 . 1 1 38 38 LYS HG2 H 1 1.291 0.020 . 2 . . . . A 37 LYS HG2 . 30551 1 423 . 1 1 38 38 LYS HG3 H 1 1.242 0.020 . 2 . . . . A 37 LYS HG3 . 30551 1 424 . 1 1 38 38 LYS HD2 H 1 1.722 0.020 . 2 . . . . A 37 LYS HD2 . 30551 1 425 . 1 1 38 38 LYS HD3 H 1 1.533 0.020 . 2 . . . . A 37 LYS HD3 . 30551 1 426 . 1 1 38 38 LYS HE2 H 1 2.958 0.020 . 2 . . . . A 37 LYS HE2 . 30551 1 427 . 1 1 38 38 LYS HE3 H 1 2.897 0.020 . 2 . . . . A 37 LYS HE3 . 30551 1 428 . 1 1 38 38 LYS CA C 13 54.556 0.400 . 1 . . . . A 37 LYS CA . 30551 1 429 . 1 1 38 38 LYS CB C 13 34.337 0.400 . 1 . . . . A 37 LYS CB . 30551 1 430 . 1 1 38 38 LYS CG C 13 24.608 0.400 . 1 . . . . A 37 LYS CG . 30551 1 431 . 1 1 38 38 LYS CD C 13 28.831 0.400 . 1 . . . . A 37 LYS CD . 30551 1 432 . 1 1 38 38 LYS CE C 13 41.737 0.400 . 1 . . . . A 37 LYS CE . 30551 1 433 . 1 1 38 38 LYS N N 15 120.759 0.400 . 1 . . . . A 37 LYS N . 30551 1 434 . 1 1 39 39 ARG H H 1 8.525 0.020 . 1 . . . . A 38 ARG H . 30551 1 435 . 1 1 39 39 ARG HA H 1 4.195 0.020 . 1 . . . . A 38 ARG HA . 30551 1 436 . 1 1 39 39 ARG HB2 H 1 2.126 0.020 . 2 . . . . A 38 ARG HB2 . 30551 1 437 . 1 1 39 39 ARG HB3 H 1 2.057 0.020 . 2 . . . . A 38 ARG HB3 . 30551 1 438 . 1 1 39 39 ARG HG2 H 1 1.720 0.020 . 2 . . . . A 38 ARG HG2 . 30551 1 439 . 1 1 39 39 ARG HG3 H 1 1.627 0.020 . 2 . . . . A 38 ARG HG3 . 30551 1 440 . 1 1 39 39 ARG HD2 H 1 3.327 0.020 . 2 . . . . A 38 ARG HD2 . 30551 1 441 . 1 1 39 39 ARG HD3 H 1 3.392 0.020 . 2 . . . . A 38 ARG HD3 . 30551 1 442 . 1 1 39 39 ARG CA C 13 55.964 0.400 . 1 . . . . A 38 ARG CA . 30551 1 443 . 1 1 39 39 ARG CB C 13 27.895 0.400 . 1 . . . . A 38 ARG CB . 30551 1 444 . 1 1 39 39 ARG CG C 13 26.801 0.400 . 1 . . . . A 38 ARG CG . 30551 1 445 . 1 1 39 39 ARG CD C 13 43.994 0.400 . 1 . . . . A 38 ARG CD . 30551 1 446 . 1 1 39 39 ARG N N 15 115.786 0.400 . 1 . . . . A 38 ARG N . 30551 1 447 . 1 1 40 40 PRO HA H 1 4.236 0.020 . 1 . . . . A 39 PRO HA . 30551 1 448 . 1 1 40 40 PRO HB2 H 1 2.396 0.020 . 2 . . . . A 39 PRO HB2 . 30551 1 449 . 1 1 40 40 PRO HB3 H 1 2.008 0.020 . 2 . . . . A 39 PRO HB3 . 30551 1 450 . 1 1 40 40 PRO HG2 H 1 2.057 0.020 . 2 . . . . A 39 PRO HG2 . 30551 1 451 . 1 1 40 40 PRO HG3 H 1 2.057 0.020 . 2 . . . . A 39 PRO HG3 . 30551 1 452 . 1 1 40 40 PRO HD2 H 1 3.829 0.020 . 2 . . . . A 39 PRO HD2 . 30551 1 453 . 1 1 40 40 PRO HD3 H 1 3.374 0.020 . 2 . . . . A 39 PRO HD3 . 30551 1 454 . 1 1 40 40 PRO CA C 13 65.363 0.400 . 1 . . . . A 39 PRO CA . 30551 1 455 . 1 1 40 40 PRO CB C 13 31.263 0.400 . 1 . . . . A 39 PRO CB . 30551 1 456 . 1 1 40 40 PRO CG C 13 27.558 0.400 . 1 . . . . A 39 PRO CG . 30551 1 457 . 1 1 40 40 PRO CD C 13 50.754 0.400 . 1 . . . . A 39 PRO CD . 30551 1 458 . 1 1 41 41 LYS H H 1 8.550 0.020 . 1 . . . . A 40 LYS H . 30551 1 459 . 1 1 41 41 LYS HA H 1 4.121 0.020 . 1 . . . . A 40 LYS HA . 30551 1 460 . 1 1 41 41 LYS HB2 H 1 1.896 0.020 . 2 . . . . A 40 LYS HB2 . 30551 1 461 . 1 1 41 41 LYS HB3 H 1 1.775 0.020 . 2 . . . . A 40 LYS HB3 . 30551 1 462 . 1 1 41 41 LYS HG2 H 1 1.446 0.020 . 2 . . . . A 40 LYS HG2 . 30551 1 463 . 1 1 41 41 LYS HG3 H 1 1.534 0.020 . 2 . . . . A 40 LYS HG3 . 30551 1 464 . 1 1 41 41 LYS HD2 H 1 1.711 0.020 . 2 . . . . A 40 LYS HD2 . 30551 1 465 . 1 1 41 41 LYS HD3 H 1 1.711 0.020 . 2 . . . . A 40 LYS HD3 . 30551 1 466 . 1 1 41 41 LYS HE2 H 1 2.982 0.020 . 2 . . . . A 40 LYS HE2 . 30551 1 467 . 1 1 41 41 LYS HE3 H 1 2.982 0.020 . 2 . . . . A 40 LYS HE3 . 30551 1 468 . 1 1 41 41 LYS CA C 13 58.757 0.400 . 1 . . . . A 40 LYS CA . 30551 1 469 . 1 1 41 41 LYS CB C 13 30.802 0.400 . 1 . . . . A 40 LYS CB . 30551 1 470 . 1 1 41 41 LYS CG C 13 24.479 0.400 . 1 . . . . A 40 LYS CG . 30551 1 471 . 1 1 41 41 LYS CD C 13 28.361 0.400 . 1 . . . . A 40 LYS CD . 30551 1 472 . 1 1 41 41 LYS CE C 13 41.602 0.400 . 1 . . . . A 40 LYS CE . 30551 1 473 . 1 1 41 41 LYS N N 15 118.314 0.400 . 1 . . . . A 40 LYS N . 30551 1 474 . 1 1 42 42 GLU H H 1 8.719 0.020 . 1 . . . . A 41 GLU H . 30551 1 475 . 1 1 42 42 GLU HA H 1 4.034 0.020 . 1 . . . . A 41 GLU HA . 30551 1 476 . 1 1 42 42 GLU HB2 H 1 2.234 0.020 . 2 . . . . A 41 GLU HB2 . 30551 1 477 . 1 1 42 42 GLU HB3 H 1 1.746 0.020 . 2 . . . . A 41 GLU HB3 . 30551 1 478 . 1 1 42 42 GLU HG2 H 1 2.538 0.020 . 2 . . . . A 41 GLU HG2 . 30551 1 479 . 1 1 42 42 GLU HG3 H 1 2.251 0.020 . 2 . . . . A 41 GLU HG3 . 30551 1 480 . 1 1 42 42 GLU CA C 13 60.614 0.400 . 1 . . . . A 41 GLU CA . 30551 1 481 . 1 1 42 42 GLU CB C 13 27.917 0.400 . 1 . . . . A 41 GLU CB . 30551 1 482 . 1 1 42 42 GLU CG C 13 37.728 0.400 . 1 . . . . A 41 GLU CG . 30551 1 483 . 1 1 42 42 GLU N N 15 121.404 0.400 . 1 . . . . A 41 GLU N . 30551 1 484 . 1 1 43 43 ASN H H 1 8.123 0.020 . 1 . . . . A 42 ASN H . 30551 1 485 . 1 1 43 43 ASN HA H 1 4.077 0.020 . 1 . . . . A 42 ASN HA . 30551 1 486 . 1 1 43 43 ASN HB2 H 1 2.965 0.020 . 2 . . . . A 42 ASN HB2 . 30551 1 487 . 1 1 43 43 ASN HB3 H 1 2.639 0.020 . 2 . . . . A 42 ASN HB3 . 30551 1 488 . 1 1 43 43 ASN HD21 H 1 6.479 0.020 . 2 . . . . A 42 ASN HD21 . 30551 1 489 . 1 1 43 43 ASN HD22 H 1 7.673 0.020 . 2 . . . . A 42 ASN HD22 . 30551 1 490 . 1 1 43 43 ASN CA C 13 57.232 0.400 . 1 . . . . A 42 ASN CA . 30551 1 491 . 1 1 43 43 ASN CB C 13 39.255 0.400 . 1 . . . . A 42 ASN CB . 30551 1 492 . 1 1 43 43 ASN N N 15 117.908 0.400 . 1 . . . . A 42 ASN N . 30551 1 493 . 1 1 43 43 ASN ND2 N 15 115.791 0.400 . 1 . . . . A 42 ASN ND2 . 30551 1 494 . 1 1 44 44 GLU H H 1 7.898 0.020 . 1 . . . . A 43 GLU H . 30551 1 495 . 1 1 44 44 GLU HA H 1 4.040 0.020 . 1 . . . . A 43 GLU HA . 30551 1 496 . 1 1 44 44 GLU HB2 H 1 2.146 0.020 . 2 . . . . A 43 GLU HB2 . 30551 1 497 . 1 1 44 44 GLU HB3 H 1 2.146 0.020 . 2 . . . . A 43 GLU HB3 . 30551 1 498 . 1 1 44 44 GLU HG2 H 1 2.403 0.020 . 2 . . . . A 43 GLU HG2 . 30551 1 499 . 1 1 44 44 GLU HG3 H 1 2.239 0.020 . 2 . . . . A 43 GLU HG3 . 30551 1 500 . 1 1 44 44 GLU CA C 13 59.068 0.400 . 1 . . . . A 43 GLU CA . 30551 1 501 . 1 1 44 44 GLU CB C 13 29.496 0.400 . 1 . . . . A 43 GLU CB . 30551 1 502 . 1 1 44 44 GLU CG C 13 36.019 0.400 . 1 . . . . A 43 GLU CG . 30551 1 503 . 1 1 44 44 GLU N N 15 119.490 0.400 . 1 . . . . A 43 GLU N . 30551 1 504 . 1 1 45 45 LYS H H 1 8.083 0.020 . 1 . . . . A 44 LYS H . 30551 1 505 . 1 1 45 45 LYS HA H 1 4.292 0.020 . 1 . . . . A 44 LYS HA . 30551 1 506 . 1 1 45 45 LYS HB2 H 1 2.049 0.020 . 2 . . . . A 44 LYS HB2 . 30551 1 507 . 1 1 45 45 LYS HB3 H 1 2.049 0.020 . 2 . . . . A 44 LYS HB3 . 30551 1 508 . 1 1 45 45 LYS HG2 H 1 1.638 0.020 . 2 . . . . A 44 LYS HG2 . 30551 1 509 . 1 1 45 45 LYS HG3 H 1 1.638 0.020 . 2 . . . . A 44 LYS HG3 . 30551 1 510 . 1 1 45 45 LYS HD2 H 1 1.773 0.020 . 2 . . . . A 44 LYS HD2 . 30551 1 511 . 1 1 45 45 LYS HD3 H 1 1.773 0.020 . 2 . . . . A 44 LYS HD3 . 30551 1 512 . 1 1 45 45 LYS HE2 H 1 2.901 0.020 . 2 . . . . A 44 LYS HE2 . 30551 1 513 . 1 1 45 45 LYS HE3 H 1 2.901 0.020 . 2 . . . . A 44 LYS HE3 . 30551 1 514 . 1 1 45 45 LYS CA C 13 57.824 0.400 . 1 . . . . A 44 LYS CA . 30551 1 515 . 1 1 45 45 LYS CB C 13 31.894 0.400 . 1 . . . . A 44 LYS CB . 30551 1 516 . 1 1 45 45 LYS CG C 13 24.202 0.400 . 1 . . . . A 44 LYS CG . 30551 1 517 . 1 1 45 45 LYS CD C 13 28.038 0.400 . 1 . . . . A 44 LYS CD . 30551 1 518 . 1 1 45 45 LYS CE C 13 41.621 0.400 . 1 . . . . A 44 LYS CE . 30551 1 519 . 1 1 45 45 LYS N N 15 120.472 0.400 . 1 . . . . A 44 LYS N . 30551 1 520 . 1 1 46 46 PHE H H 1 8.652 0.020 . 1 . . . . A 45 PHE H . 30551 1 521 . 1 1 46 46 PHE HA H 1 4.335 0.020 . 1 . . . . A 45 PHE HA . 30551 1 522 . 1 1 46 46 PHE HB2 H 1 3.389 0.020 . 2 . . . . A 45 PHE HB2 . 30551 1 523 . 1 1 46 46 PHE HB3 H 1 2.751 0.020 . 2 . . . . A 45 PHE HB3 . 30551 1 524 . 1 1 46 46 PHE HD1 H 1 7.156 0.020 . 1 . . . . A 45 PHE HD1 . 30551 1 525 . 1 1 46 46 PHE HD2 H 1 7.156 0.020 . 1 . . . . A 45 PHE HD2 . 30551 1 526 . 1 1 46 46 PHE HE1 H 1 6.913 0.020 . 1 . . . . A 45 PHE HE1 . 30551 1 527 . 1 1 46 46 PHE HE2 H 1 6.913 0.020 . 1 . . . . A 45 PHE HE2 . 30551 1 528 . 1 1 46 46 PHE CA C 13 60.431 0.400 . 1 . . . . A 45 PHE CA . 30551 1 529 . 1 1 46 46 PHE CB C 13 39.362 0.400 . 1 . . . . A 45 PHE CB . 30551 1 530 . 1 1 46 46 PHE CD1 C 13 130.745 0.400 . 3 . . . . A 45 PHE CD1 . 30551 1 531 . 1 1 46 46 PHE CE1 C 13 131.528 0.400 . 3 . . . . A 45 PHE CE1 . 30551 1 532 . 1 1 46 46 PHE N N 15 119.653 0.400 . 1 . . . . A 45 PHE N . 30551 1 533 . 1 1 47 47 ARG H H 1 7.469 0.020 . 1 . . . . A 46 ARG H . 30551 1 534 . 1 1 47 47 ARG HA H 1 3.705 0.020 . 1 . . . . A 46 ARG HA . 30551 1 535 . 1 1 47 47 ARG HB2 H 1 1.931 0.020 . 2 . . . . A 46 ARG HB2 . 30551 1 536 . 1 1 47 47 ARG HB3 H 1 1.731 0.020 . 2 . . . . A 46 ARG HB3 . 30551 1 537 . 1 1 47 47 ARG HG2 H 1 1.542 0.020 . 2 . . . . A 46 ARG HG2 . 30551 1 538 . 1 1 47 47 ARG HG3 H 1 1.362 0.020 . 2 . . . . A 46 ARG HG3 . 30551 1 539 . 1 1 47 47 ARG HD2 H 1 2.998 0.020 . 2 . . . . A 46 ARG HD2 . 30551 1 540 . 1 1 47 47 ARG HD3 H 1 3.038 0.020 . 2 . . . . A 46 ARG HD3 . 30551 1 541 . 1 1 47 47 ARG CA C 13 59.720 0.400 . 1 . . . . A 46 ARG CA . 30551 1 542 . 1 1 47 47 ARG CB C 13 29.775 0.400 . 1 . . . . A 46 ARG CB . 30551 1 543 . 1 1 47 47 ARG CG C 13 27.667 0.400 . 1 . . . . A 46 ARG CG . 30551 1 544 . 1 1 47 47 ARG CD C 13 42.792 0.400 . 1 . . . . A 46 ARG CD . 30551 1 545 . 1 1 47 47 ARG N N 15 116.289 0.400 . 1 . . . . A 46 ARG N . 30551 1 546 . 1 1 48 48 GLU H H 1 8.225 0.020 . 1 . . . . A 47 GLU H . 30551 1 547 . 1 1 48 48 GLU HA H 1 4.046 0.020 . 1 . . . . A 47 GLU HA . 30551 1 548 . 1 1 48 48 GLU HB2 H 1 2.227 0.020 . 2 . . . . A 47 GLU HB2 . 30551 1 549 . 1 1 48 48 GLU HB3 H 1 2.119 0.020 . 2 . . . . A 47 GLU HB3 . 30551 1 550 . 1 1 48 48 GLU HG2 H 1 2.426 0.020 . 2 . . . . A 47 GLU HG2 . 30551 1 551 . 1 1 48 48 GLU HG3 H 1 2.212 0.020 . 2 . . . . A 47 GLU HG3 . 30551 1 552 . 1 1 48 48 GLU CA C 13 59.095 0.400 . 1 . . . . A 47 GLU CA . 30551 1 553 . 1 1 48 48 GLU CB C 13 29.676 0.400 . 1 . . . . A 47 GLU CB . 30551 1 554 . 1 1 48 48 GLU CG C 13 36.014 0.400 . 1 . . . . A 47 GLU CG . 30551 1 555 . 1 1 48 48 GLU N N 15 118.086 0.400 . 1 . . . . A 47 GLU N . 30551 1 556 . 1 1 49 49 GLU H H 1 8.364 0.020 . 1 . . . . A 48 GLU H . 30551 1 557 . 1 1 49 49 GLU HA H 1 4.254 0.020 . 1 . . . . A 48 GLU HA . 30551 1 558 . 1 1 49 49 GLU HB2 H 1 1.951 0.020 . 2 . . . . A 48 GLU HB2 . 30551 1 559 . 1 1 49 49 GLU HB3 H 1 1.872 0.020 . 2 . . . . A 48 GLU HB3 . 30551 1 560 . 1 1 49 49 GLU HG2 H 1 2.666 0.020 . 2 . . . . A 48 GLU HG2 . 30551 1 561 . 1 1 49 49 GLU HG3 H 1 2.555 0.020 . 2 . . . . A 48 GLU HG3 . 30551 1 562 . 1 1 49 49 GLU CA C 13 58.188 0.400 . 1 . . . . A 48 GLU CA . 30551 1 563 . 1 1 49 49 GLU CB C 13 28.846 0.400 . 1 . . . . A 48 GLU CB . 30551 1 564 . 1 1 49 49 GLU CG C 13 35.757 0.400 . 1 . . . . A 48 GLU CG . 30551 1 565 . 1 1 49 49 GLU N N 15 116.994 0.400 . 1 . . . . A 48 GLU N . 30551 1 566 . 1 1 50 50 LEU H H 1 8.096 0.020 . 1 . . . . A 49 LEU H . 30551 1 567 . 1 1 50 50 LEU HA H 1 4.053 0.020 . 1 . . . . A 49 LEU HA . 30551 1 568 . 1 1 50 50 LEU HB2 H 1 1.921 0.020 . 2 . . . . A 49 LEU HB2 . 30551 1 569 . 1 1 50 50 LEU HB3 H 1 1.543 0.020 . 2 . . . . A 49 LEU HB3 . 30551 1 570 . 1 1 50 50 LEU HG H 1 1.694 0.020 . 1 . . . . A 49 LEU HG . 30551 1 571 . 1 1 50 50 LEU HD11 H 1 0.934 0.020 . 2 . . . . A 49 LEU HD11 . 30551 1 572 . 1 1 50 50 LEU HD12 H 1 0.934 0.020 . 2 . . . . A 49 LEU HD12 . 30551 1 573 . 1 1 50 50 LEU HD13 H 1 0.934 0.020 . 2 . . . . A 49 LEU HD13 . 30551 1 574 . 1 1 50 50 LEU HD21 H 1 0.846 0.020 . 2 . . . . A 49 LEU HD21 . 30551 1 575 . 1 1 50 50 LEU HD22 H 1 0.846 0.020 . 2 . . . . A 49 LEU HD22 . 30551 1 576 . 1 1 50 50 LEU HD23 H 1 0.846 0.020 . 2 . . . . A 49 LEU HD23 . 30551 1 577 . 1 1 50 50 LEU CA C 13 58.061 0.400 . 1 . . . . A 49 LEU CA . 30551 1 578 . 1 1 50 50 LEU CB C 13 41.759 0.400 . 1 . . . . A 49 LEU CB . 30551 1 579 . 1 1 50 50 LEU CG C 13 26.767 0.400 . 1 . . . . A 49 LEU CG . 30551 1 580 . 1 1 50 50 LEU CD1 C 13 23.186 0.400 . 2 . . . . A 49 LEU CD1 . 30551 1 581 . 1 1 50 50 LEU CD2 C 13 26.696 0.400 . 2 . . . . A 49 LEU CD2 . 30551 1 582 . 1 1 50 50 LEU N N 15 120.852 0.400 . 1 . . . . A 49 LEU N . 30551 1 583 . 1 1 51 51 GLU H H 1 8.327 0.020 . 1 . . . . A 50 GLU H . 30551 1 584 . 1 1 51 51 GLU HA H 1 3.756 0.020 . 1 . . . . A 50 GLU HA . 30551 1 585 . 1 1 51 51 GLU HB2 H 1 2.205 0.020 . 2 . . . . A 50 GLU HB2 . 30551 1 586 . 1 1 51 51 GLU HB3 H 1 1.980 0.020 . 2 . . . . A 50 GLU HB3 . 30551 1 587 . 1 1 51 51 GLU HG2 H 1 2.558 0.020 . 2 . . . . A 50 GLU HG2 . 30551 1 588 . 1 1 51 51 GLU HG3 H 1 2.099 0.020 . 2 . . . . A 50 GLU HG3 . 30551 1 589 . 1 1 51 51 GLU CA C 13 60.219 0.400 . 1 . . . . A 50 GLU CA . 30551 1 590 . 1 1 51 51 GLU CB C 13 29.276 0.400 . 1 . . . . A 50 GLU CB . 30551 1 591 . 1 1 51 51 GLU CG C 13 37.352 0.400 . 1 . . . . A 50 GLU CG . 30551 1 592 . 1 1 51 51 GLU N N 15 117.687 0.400 . 1 . . . . A 50 GLU N . 30551 1 593 . 1 1 52 52 LYS H H 1 7.793 0.020 . 1 . . . . A 51 LYS H . 30551 1 594 . 1 1 52 52 LYS HA H 1 4.029 0.020 . 1 . . . . A 51 LYS HA . 30551 1 595 . 1 1 52 52 LYS HB2 H 1 1.934 0.020 . 2 . . . . A 51 LYS HB2 . 30551 1 596 . 1 1 52 52 LYS HB3 H 1 1.812 0.020 . 2 . . . . A 51 LYS HB3 . 30551 1 597 . 1 1 52 52 LYS HG2 H 1 1.702 0.020 . 2 . . . . A 51 LYS HG2 . 30551 1 598 . 1 1 52 52 LYS HG3 H 1 1.420 0.020 . 2 . . . . A 51 LYS HG3 . 30551 1 599 . 1 1 52 52 LYS HD2 H 1 1.700 0.020 . 2 . . . . A 51 LYS HD2 . 30551 1 600 . 1 1 52 52 LYS HD3 H 1 1.700 0.020 . 2 . . . . A 51 LYS HD3 . 30551 1 601 . 1 1 52 52 LYS HE2 H 1 2.897 0.020 . 2 . . . . A 51 LYS HE2 . 30551 1 602 . 1 1 52 52 LYS HE3 H 1 2.897 0.020 . 2 . . . . A 51 LYS HE3 . 30551 1 603 . 1 1 52 52 LYS CA C 13 59.173 0.400 . 1 . . . . A 51 LYS CA . 30551 1 604 . 1 1 52 52 LYS CB C 13 32.673 0.400 . 1 . . . . A 51 LYS CB . 30551 1 605 . 1 1 52 52 LYS CG C 13 25.604 0.400 . 1 . . . . A 51 LYS CG . 30551 1 606 . 1 1 52 52 LYS CD C 13 29.175 0.400 . 1 . . . . A 51 LYS CD . 30551 1 607 . 1 1 52 52 LYS CE C 13 41.596 0.400 . 1 . . . . A 51 LYS CE . 30551 1 608 . 1 1 52 52 LYS N N 15 118.089 0.400 . 1 . . . . A 51 LYS N . 30551 1 609 . 1 1 53 53 ALA H H 1 8.659 0.020 . 1 . . . . A 52 ALA H . 30551 1 610 . 1 1 53 53 ALA HA H 1 3.976 0.020 . 1 . . . . A 52 ALA HA . 30551 1 611 . 1 1 53 53 ALA HB1 H 1 1.696 0.020 . 1 . . . . A 52 ALA HB1 . 30551 1 612 . 1 1 53 53 ALA HB2 H 1 1.696 0.020 . 1 . . . . A 52 ALA HB2 . 30551 1 613 . 1 1 53 53 ALA HB3 H 1 1.696 0.020 . 1 . . . . A 52 ALA HB3 . 30551 1 614 . 1 1 53 53 ALA CA C 13 55.151 0.400 . 1 . . . . A 52 ALA CA . 30551 1 615 . 1 1 53 53 ALA CB C 13 20.433 0.400 . 1 . . . . A 52 ALA CB . 30551 1 616 . 1 1 53 53 ALA N N 15 123.904 0.400 . 1 . . . . A 52 ALA N . 30551 1 617 . 1 1 54 54 ILE H H 1 8.041 0.020 . 1 . . . . A 53 ILE H . 30551 1 618 . 1 1 54 54 ILE HA H 1 3.514 0.020 . 1 . . . . A 53 ILE HA . 30551 1 619 . 1 1 54 54 ILE HB H 1 1.917 0.020 . 1 . . . . A 53 ILE HB . 30551 1 620 . 1 1 54 54 ILE HG12 H 1 1.764 0.020 . 2 . . . . A 53 ILE HG12 . 30551 1 621 . 1 1 54 54 ILE HG13 H 1 1.045 0.020 . 2 . . . . A 53 ILE HG13 . 30551 1 622 . 1 1 54 54 ILE HG21 H 1 0.741 0.020 . 1 . . . . A 53 ILE HG21 . 30551 1 623 . 1 1 54 54 ILE HG22 H 1 0.741 0.020 . 1 . . . . A 53 ILE HG22 . 30551 1 624 . 1 1 54 54 ILE HG23 H 1 0.741 0.020 . 1 . . . . A 53 ILE HG23 . 30551 1 625 . 1 1 54 54 ILE HD11 H 1 0.781 0.020 . 1 . . . . A 53 ILE HD11 . 30551 1 626 . 1 1 54 54 ILE HD12 H 1 0.781 0.020 . 1 . . . . A 53 ILE HD12 . 30551 1 627 . 1 1 54 54 ILE HD13 H 1 0.781 0.020 . 1 . . . . A 53 ILE HD13 . 30551 1 628 . 1 1 54 54 ILE CA C 13 65.115 0.400 . 1 . . . . A 53 ILE CA . 30551 1 629 . 1 1 54 54 ILE CB C 13 37.470 0.400 . 1 . . . . A 53 ILE CB . 30551 1 630 . 1 1 54 54 ILE CG1 C 13 29.285 0.400 . 1 . . . . A 53 ILE CG1 . 30551 1 631 . 1 1 54 54 ILE CG2 C 13 17.112 0.400 . 1 . . . . A 53 ILE CG2 . 30551 1 632 . 1 1 54 54 ILE CD1 C 13 12.992 0.400 . 1 . . . . A 53 ILE CD1 . 30551 1 633 . 1 1 54 54 ILE N N 15 117.389 0.400 . 1 . . . . A 53 ILE N . 30551 1 634 . 1 1 55 55 GLN H H 1 7.363 0.020 . 1 . . . . A 54 GLN H . 30551 1 635 . 1 1 55 55 GLN HA H 1 4.050 0.020 . 1 . . . . A 54 GLN HA . 30551 1 636 . 1 1 55 55 GLN HB2 H 1 2.232 0.020 . 2 . . . . A 54 GLN HB2 . 30551 1 637 . 1 1 55 55 GLN HB3 H 1 2.232 0.020 . 2 . . . . A 54 GLN HB3 . 30551 1 638 . 1 1 55 55 GLN HG2 H 1 2.445 0.020 . 2 . . . . A 54 GLN HG2 . 30551 1 639 . 1 1 55 55 GLN HG3 H 1 2.304 0.020 . 2 . . . . A 54 GLN HG3 . 30551 1 640 . 1 1 55 55 GLN HE21 H 1 7.570 0.020 . 2 . . . . A 54 GLN HE21 . 30551 1 641 . 1 1 55 55 GLN HE22 H 1 6.998 0.020 . 2 . . . . A 54 GLN HE22 . 30551 1 642 . 1 1 55 55 GLN CA C 13 58.680 0.400 . 1 . . . . A 54 GLN CA . 30551 1 643 . 1 1 55 55 GLN CB C 13 27.947 0.400 . 1 . . . . A 54 GLN CB . 30551 1 644 . 1 1 55 55 GLN CG C 13 33.552 0.400 . 1 . . . . A 54 GLN CG . 30551 1 645 . 1 1 55 55 GLN N N 15 118.285 0.400 . 1 . . . . A 54 GLN N . 30551 1 646 . 1 1 55 55 GLN NE2 N 15 111.724 0.400 . 1 . . . . A 54 GLN NE2 . 30551 1 647 . 1 1 56 56 VAL H H 1 8.152 0.020 . 1 . . . . A 55 VAL H . 30551 1 648 . 1 1 56 56 VAL HA H 1 3.714 0.020 . 1 . . . . A 55 VAL HA . 30551 1 649 . 1 1 56 56 VAL HB H 1 2.440 0.020 . 1 . . . . A 55 VAL HB . 30551 1 650 . 1 1 56 56 VAL HG11 H 1 1.087 0.020 . 2 . . . . A 55 VAL HG11 . 30551 1 651 . 1 1 56 56 VAL HG12 H 1 1.087 0.020 . 2 . . . . A 55 VAL HG12 . 30551 1 652 . 1 1 56 56 VAL HG13 H 1 1.087 0.020 . 2 . . . . A 55 VAL HG13 . 30551 1 653 . 1 1 56 56 VAL HG21 H 1 0.995 0.020 . 2 . . . . A 55 VAL HG21 . 30551 1 654 . 1 1 56 56 VAL HG22 H 1 0.995 0.020 . 2 . . . . A 55 VAL HG22 . 30551 1 655 . 1 1 56 56 VAL HG23 H 1 0.995 0.020 . 2 . . . . A 55 VAL HG23 . 30551 1 656 . 1 1 56 56 VAL CA C 13 66.594 0.400 . 1 . . . . A 55 VAL CA . 30551 1 657 . 1 1 56 56 VAL CB C 13 31.484 0.400 . 1 . . . . A 55 VAL CB . 30551 1 658 . 1 1 56 56 VAL CG1 C 13 22.349 0.400 . 2 . . . . A 55 VAL CG1 . 30551 1 659 . 1 1 56 56 VAL CG2 C 13 21.185 0.400 . 2 . . . . A 55 VAL CG2 . 30551 1 660 . 1 1 56 56 VAL N N 15 120.885 0.400 . 1 . . . . A 55 VAL N . 30551 1 661 . 1 1 57 57 ILE H H 1 7.863 0.020 . 1 . . . . A 56 ILE H . 30551 1 662 . 1 1 57 57 ILE HA H 1 3.839 0.020 . 1 . . . . A 56 ILE HA . 30551 1 663 . 1 1 57 57 ILE HB H 1 2.247 0.020 . 1 . . . . A 56 ILE HB . 30551 1 664 . 1 1 57 57 ILE HG12 H 1 1.716 0.020 . 2 . . . . A 56 ILE HG12 . 30551 1 665 . 1 1 57 57 ILE HG13 H 1 1.648 0.020 . 2 . . . . A 56 ILE HG13 . 30551 1 666 . 1 1 57 57 ILE HG21 H 1 0.977 0.020 . 1 . . . . A 56 ILE HG21 . 30551 1 667 . 1 1 57 57 ILE HG22 H 1 0.977 0.020 . 1 . . . . A 56 ILE HG22 . 30551 1 668 . 1 1 57 57 ILE HG23 H 1 0.977 0.020 . 1 . . . . A 56 ILE HG23 . 30551 1 669 . 1 1 57 57 ILE HD11 H 1 1.007 0.020 . 1 . . . . A 56 ILE HD11 . 30551 1 670 . 1 1 57 57 ILE HD12 H 1 1.007 0.020 . 1 . . . . A 56 ILE HD12 . 30551 1 671 . 1 1 57 57 ILE HD13 H 1 1.007 0.020 . 1 . . . . A 56 ILE HD13 . 30551 1 672 . 1 1 57 57 ILE CA C 13 63.320 0.400 . 1 . . . . A 56 ILE CA . 30551 1 673 . 1 1 57 57 ILE CB C 13 36.699 0.400 . 1 . . . . A 56 ILE CB . 30551 1 674 . 1 1 57 57 ILE CG1 C 13 28.441 0.400 . 1 . . . . A 56 ILE CG1 . 30551 1 675 . 1 1 57 57 ILE CG2 C 13 18.295 0.400 . 1 . . . . A 56 ILE CG2 . 30551 1 676 . 1 1 57 57 ILE CD1 C 13 11.093 0.400 . 1 . . . . A 56 ILE CD1 . 30551 1 677 . 1 1 57 57 ILE N N 15 120.594 0.400 . 1 . . . . A 56 ILE N . 30551 1 678 . 1 1 58 58 TRP H H 1 8.141 0.020 . 1 . . . . A 57 TRP H . 30551 1 679 . 1 1 58 58 TRP HA H 1 4.736 0.020 . 1 . . . . A 57 TRP HA . 30551 1 680 . 1 1 58 58 TRP HB2 H 1 3.423 0.020 . 2 . . . . A 57 TRP HB2 . 30551 1 681 . 1 1 58 58 TRP HB3 H 1 3.352 0.020 . 2 . . . . A 57 TRP HB3 . 30551 1 682 . 1 1 58 58 TRP HD1 H 1 7.275 0.020 . 1 . . . . A 57 TRP HD1 . 30551 1 683 . 1 1 58 58 TRP HE1 H 1 9.982 0.020 . 1 . . . . A 57 TRP HE1 . 30551 1 684 . 1 1 58 58 TRP HE3 H 1 7.628 0.020 . 1 . . . . A 57 TRP HE3 . 30551 1 685 . 1 1 58 58 TRP HZ2 H 1 7.370 0.020 . 1 . . . . A 57 TRP HZ2 . 30551 1 686 . 1 1 58 58 TRP HH2 H 1 7.073 0.020 . 1 . . . . A 57 TRP HH2 . 30551 1 687 . 1 1 58 58 TRP CA C 13 59.438 0.400 . 1 . . . . A 57 TRP CA . 30551 1 688 . 1 1 58 58 TRP CB C 13 28.678 0.400 . 1 . . . . A 57 TRP CB . 30551 1 689 . 1 1 58 58 TRP CD1 C 13 126.262 0.400 . 1 . . . . A 57 TRP CD1 . 30551 1 690 . 1 1 58 58 TRP CE3 C 13 120.794 0.400 . 1 . . . . A 57 TRP CE3 . 30551 1 691 . 1 1 58 58 TRP CZ2 C 13 114.396 0.400 . 1 . . . . A 57 TRP CZ2 . 30551 1 692 . 1 1 58 58 TRP CH2 C 13 124.148 0.400 . 1 . . . . A 57 TRP CH2 . 30551 1 693 . 1 1 58 58 TRP N N 15 121.676 0.400 . 1 . . . . A 57 TRP N . 30551 1 694 . 1 1 58 58 TRP NE1 N 15 128.478 0.400 . 1 . . . . A 57 TRP NE1 . 30551 1 695 . 1 1 59 59 ASN H H 1 8.706 0.020 . 1 . . . . A 58 ASN H . 30551 1 696 . 1 1 59 59 ASN HA H 1 4.473 0.020 . 1 . . . . A 58 ASN HA . 30551 1 697 . 1 1 59 59 ASN HB2 H 1 3.119 0.020 . 2 . . . . A 58 ASN HB2 . 30551 1 698 . 1 1 59 59 ASN HB3 H 1 2.926 0.020 . 2 . . . . A 58 ASN HB3 . 30551 1 699 . 1 1 59 59 ASN HD21 H 1 7.570 0.020 . 2 . . . . A 58 ASN HD21 . 30551 1 700 . 1 1 59 59 ASN HD22 H 1 7.001 0.020 . 2 . . . . A 58 ASN HD22 . 30551 1 701 . 1 1 59 59 ASN CA C 13 55.208 0.400 . 1 . . . . A 58 ASN CA . 30551 1 702 . 1 1 59 59 ASN CB C 13 38.174 0.400 . 1 . . . . A 58 ASN CB . 30551 1 703 . 1 1 59 59 ASN N N 15 119.323 0.400 . 1 . . . . A 58 ASN N . 30551 1 704 . 1 1 59 59 ASN ND2 N 15 111.200 0.400 . 1 . . . . A 58 ASN ND2 . 30551 1 705 . 1 1 60 60 CYS H H 1 7.870 0.020 . 1 . . . . A 59 CYS H . 30551 1 706 . 1 1 60 60 CYS HA H 1 4.497 0.020 . 1 . . . . A 59 CYS HA . 30551 1 707 . 1 1 60 60 CYS HB2 H 1 3.157 0.020 . 2 . . . . A 59 CYS HB2 . 30551 1 708 . 1 1 60 60 CYS HB3 H 1 3.033 0.020 . 2 . . . . A 59 CYS HB3 . 30551 1 709 . 1 1 60 60 CYS CA C 13 59.897 0.400 . 1 . . . . A 59 CYS CA . 30551 1 710 . 1 1 60 60 CYS CB C 13 27.041 0.400 . 1 . . . . A 59 CYS CB . 30551 1 711 . 1 1 60 60 CYS N N 15 116.687 0.400 . 1 . . . . A 59 CYS N . 30551 1 712 . 1 1 61 61 GLY H H 1 8.031 0.020 . 1 . . . . A 60 GLY H . 30551 1 713 . 1 1 61 61 GLY HA2 H 1 4.023 0.020 . 2 . . . . A 60 GLY HA2 . 30551 1 714 . 1 1 61 61 GLY HA3 H 1 3.624 0.020 . 2 . . . . A 60 GLY HA3 . 30551 1 715 . 1 1 61 61 GLY CA C 13 45.045 0.400 . 1 . . . . A 60 GLY CA . 30551 1 716 . 1 1 61 61 GLY N N 15 108.298 0.400 . 1 . . . . A 60 GLY N . 30551 1 717 . 1 1 62 62 LEU H H 1 7.035 0.020 . 1 . . . . A 61 LEU H . 30551 1 718 . 1 1 62 62 LEU HA H 1 4.534 0.020 . 1 . . . . A 61 LEU HA . 30551 1 719 . 1 1 62 62 LEU HB2 H 1 1.350 0.020 . 2 . . . . A 61 LEU HB2 . 30551 1 720 . 1 1 62 62 LEU HB3 H 1 0.765 0.020 . 2 . . . . A 61 LEU HB3 . 30551 1 721 . 1 1 62 62 LEU HG H 1 1.312 0.020 . 1 . . . . A 61 LEU HG . 30551 1 722 . 1 1 62 62 LEU HD11 H 1 0.617 0.020 . 2 . . . . A 61 LEU HD11 . 30551 1 723 . 1 1 62 62 LEU HD12 H 1 0.617 0.020 . 2 . . . . A 61 LEU HD12 . 30551 1 724 . 1 1 62 62 LEU HD13 H 1 0.617 0.020 . 2 . . . . A 61 LEU HD13 . 30551 1 725 . 1 1 62 62 LEU HD21 H 1 0.691 0.020 . 2 . . . . A 61 LEU HD21 . 30551 1 726 . 1 1 62 62 LEU HD22 H 1 0.691 0.020 . 2 . . . . A 61 LEU HD22 . 30551 1 727 . 1 1 62 62 LEU HD23 H 1 0.691 0.020 . 2 . . . . A 61 LEU HD23 . 30551 1 728 . 1 1 62 62 LEU CA C 13 51.529 0.400 . 1 . . . . A 61 LEU CA . 30551 1 729 . 1 1 62 62 LEU CB C 13 41.956 0.400 . 1 . . . . A 61 LEU CB . 30551 1 730 . 1 1 62 62 LEU CG C 13 26.674 0.400 . 1 . . . . A 61 LEU CG . 30551 1 731 . 1 1 62 62 LEU CD1 C 13 24.812 0.400 . 2 . . . . A 61 LEU CD1 . 30551 1 732 . 1 1 62 62 LEU CD2 C 13 22.193 0.400 . 2 . . . . A 61 LEU CD2 . 30551 1 733 . 1 1 62 62 LEU N N 15 121.870 0.400 . 1 . . . . A 61 LEU N . 30551 1 734 . 1 1 63 63 PRO HA H 1 4.292 0.020 . 1 . . . . A 62 PRO HA . 30551 1 735 . 1 1 63 63 PRO HB2 H 1 2.128 0.020 . 2 . . . . A 62 PRO HB2 . 30551 1 736 . 1 1 63 63 PRO HB3 H 1 1.784 0.020 . 2 . . . . A 62 PRO HB3 . 30551 1 737 . 1 1 63 63 PRO HG2 H 1 1.900 0.020 . 2 . . . . A 62 PRO HG2 . 30551 1 738 . 1 1 63 63 PRO HG3 H 1 2.030 0.020 . 2 . . . . A 62 PRO HG3 . 30551 1 739 . 1 1 63 63 PRO HD2 H 1 3.064 0.020 . 2 . . . . A 62 PRO HD2 . 30551 1 740 . 1 1 63 63 PRO HD3 H 1 3.598 0.020 . 2 . . . . A 62 PRO HD3 . 30551 1 741 . 1 1 63 63 PRO CA C 13 61.692 0.400 . 1 . . . . A 62 PRO CA . 30551 1 742 . 1 1 63 63 PRO CB C 13 30.659 0.400 . 1 . . . . A 62 PRO CB . 30551 1 743 . 1 1 63 63 PRO CG C 13 27.272 0.400 . 1 . . . . A 62 PRO CG . 30551 1 744 . 1 1 63 63 PRO CD C 13 49.378 0.400 . 1 . . . . A 62 PRO CD . 30551 1 745 . 1 1 64 64 SER H H 1 8.063 0.020 . 1 . . . . A 63 SER H . 30551 1 746 . 1 1 64 64 SER HA H 1 4.630 0.020 . 1 . . . . A 63 SER HA . 30551 1 747 . 1 1 64 64 SER HB2 H 1 3.776 0.020 . 2 . . . . A 63 SER HB2 . 30551 1 748 . 1 1 64 64 SER HB3 H 1 3.776 0.020 . 2 . . . . A 63 SER HB3 . 30551 1 749 . 1 1 64 64 SER CA C 13 56.175 0.400 . 1 . . . . A 63 SER CA . 30551 1 750 . 1 1 64 64 SER CB C 13 63.191 0.400 . 1 . . . . A 63 SER CB . 30551 1 751 . 1 1 64 64 SER N N 15 118.865 0.400 . 1 . . . . A 63 SER N . 30551 1 752 . 1 1 65 65 PRO HA H 1 4.500 0.020 . 1 . . . . A 64 PRO HA . 30551 1 753 . 1 1 65 65 PRO HB2 H 1 1.718 0.020 . 2 . . . . A 64 PRO HB2 . 30551 1 754 . 1 1 65 65 PRO HB3 H 1 1.762 0.020 . 2 . . . . A 64 PRO HB3 . 30551 1 755 . 1 1 65 65 PRO HG2 H 1 2.132 0.020 . 2 . . . . A 64 PRO HG2 . 30551 1 756 . 1 1 65 65 PRO HG3 H 1 2.011 0.020 . 2 . . . . A 64 PRO HG3 . 30551 1 757 . 1 1 65 65 PRO HD2 H 1 4.240 0.020 . 2 . . . . A 64 PRO HD2 . 30551 1 758 . 1 1 65 65 PRO HD3 H 1 3.620 0.020 . 2 . . . . A 64 PRO HD3 . 30551 1 759 . 1 1 65 65 PRO CA C 13 61.637 0.400 . 1 . . . . A 64 PRO CA . 30551 1 760 . 1 1 65 65 PRO CB C 13 31.221 0.400 . 1 . . . . A 64 PRO CB . 30551 1 761 . 1 1 65 65 PRO CG C 13 27.891 0.400 . 1 . . . . A 64 PRO CG . 30551 1 762 . 1 1 65 65 PRO CD C 13 50.449 0.400 . 1 . . . . A 64 PRO CD . 30551 1 763 . 1 1 66 66 ARG H H 1 7.411 0.020 . 1 . . . . A 65 ARG H . 30551 1 764 . 1 1 66 66 ARG HA H 1 4.217 0.020 . 1 . . . . A 65 ARG HA . 30551 1 765 . 1 1 66 66 ARG HB2 H 1 2.129 0.020 . 2 . . . . A 65 ARG HB2 . 30551 1 766 . 1 1 66 66 ARG HB3 H 1 1.533 0.020 . 2 . . . . A 65 ARG HB3 . 30551 1 767 . 1 1 66 66 ARG HG2 H 1 1.769 0.020 . 2 . . . . A 65 ARG HG2 . 30551 1 768 . 1 1 66 66 ARG HG3 H 1 1.633 0.020 . 2 . . . . A 65 ARG HG3 . 30551 1 769 . 1 1 66 66 ARG HD2 H 1 3.234 0.020 . 2 . . . . A 65 ARG HD2 . 30551 1 770 . 1 1 66 66 ARG HD3 H 1 3.002 0.020 . 2 . . . . A 65 ARG HD3 . 30551 1 771 . 1 1 66 66 ARG CA C 13 56.903 0.400 . 1 . . . . A 65 ARG CA . 30551 1 772 . 1 1 66 66 ARG CB C 13 32.524 0.400 . 1 . . . . A 65 ARG CB . 30551 1 773 . 1 1 66 66 ARG CG C 13 27.489 0.400 . 1 . . . . A 65 ARG CG . 30551 1 774 . 1 1 66 66 ARG CD C 13 43.719 0.400 . 1 . . . . A 65 ARG CD . 30551 1 775 . 1 1 66 66 ARG N N 15 119.881 0.400 . 1 . . . . A 65 ARG N . 30551 1 776 . 1 1 67 67 CYS H H 1 8.603 0.020 . 1 . . . . A 66 CYS H . 30551 1 777 . 1 1 67 67 CYS HA H 1 5.534 0.020 . 1 . . . . A 66 CYS HA . 30551 1 778 . 1 1 67 67 CYS HB2 H 1 2.788 0.020 . 2 . . . . A 66 CYS HB2 . 30551 1 779 . 1 1 67 67 CYS HB3 H 1 2.551 0.020 . 2 . . . . A 66 CYS HB3 . 30551 1 780 . 1 1 67 67 CYS CA C 13 57.812 0.400 . 1 . . . . A 66 CYS CA . 30551 1 781 . 1 1 67 67 CYS CB C 13 28.757 0.400 . 1 . . . . A 66 CYS CB . 30551 1 782 . 1 1 67 67 CYS N N 15 122.573 0.400 . 1 . . . . A 66 CYS N . 30551 1 783 . 1 1 68 68 VAL H H 1 8.829 0.020 . 1 . . . . A 67 VAL H . 30551 1 784 . 1 1 68 68 VAL HA H 1 5.639 0.020 . 1 . . . . A 67 VAL HA . 30551 1 785 . 1 1 68 68 VAL HB H 1 2.337 0.020 . 1 . . . . A 67 VAL HB . 30551 1 786 . 1 1 68 68 VAL HG11 H 1 0.908 0.020 . 2 . . . . A 67 VAL HG11 . 30551 1 787 . 1 1 68 68 VAL HG12 H 1 0.908 0.020 . 2 . . . . A 67 VAL HG12 . 30551 1 788 . 1 1 68 68 VAL HG13 H 1 0.908 0.020 . 2 . . . . A 67 VAL HG13 . 30551 1 789 . 1 1 68 68 VAL HG21 H 1 0.881 0.020 . 2 . . . . A 67 VAL HG21 . 30551 1 790 . 1 1 68 68 VAL HG22 H 1 0.881 0.020 . 2 . . . . A 67 VAL HG22 . 30551 1 791 . 1 1 68 68 VAL HG23 H 1 0.881 0.020 . 2 . . . . A 67 VAL HG23 . 30551 1 792 . 1 1 68 68 VAL CA C 13 57.509 0.400 . 1 . . . . A 67 VAL CA . 30551 1 793 . 1 1 68 68 VAL CB C 13 35.312 0.400 . 1 . . . . A 67 VAL CB . 30551 1 794 . 1 1 68 68 VAL CG1 C 13 18.840 0.400 . 2 . . . . A 67 VAL CG1 . 30551 1 795 . 1 1 68 68 VAL CG2 C 13 20.805 0.400 . 2 . . . . A 67 VAL CG2 . 30551 1 796 . 1 1 68 68 VAL N N 15 120.794 0.400 . 1 . . . . A 67 VAL N . 30551 1 797 . 1 1 69 69 ALA H H 1 8.881 0.020 . 1 . . . . A 68 ALA H . 30551 1 798 . 1 1 69 69 ALA HA H 1 5.654 0.020 . 1 . . . . A 68 ALA HA . 30551 1 799 . 1 1 69 69 ALA HB1 H 1 1.384 0.020 . 1 . . . . A 68 ALA HB1 . 30551 1 800 . 1 1 69 69 ALA HB2 H 1 1.384 0.020 . 1 . . . . A 68 ALA HB2 . 30551 1 801 . 1 1 69 69 ALA HB3 H 1 1.384 0.020 . 1 . . . . A 68 ALA HB3 . 30551 1 802 . 1 1 69 69 ALA CA C 13 49.347 0.400 . 1 . . . . A 68 ALA CA . 30551 1 803 . 1 1 69 69 ALA CB C 13 21.242 0.400 . 1 . . . . A 68 ALA CB . 30551 1 804 . 1 1 69 69 ALA N N 15 123.907 0.400 . 1 . . . . A 68 ALA N . 30551 1 805 . 1 1 70 70 VAL H H 1 9.220 0.020 . 1 . . . . A 69 VAL H . 30551 1 806 . 1 1 70 70 VAL HA H 1 4.303 0.020 . 1 . . . . A 69 VAL HA . 30551 1 807 . 1 1 70 70 VAL HB H 1 1.637 0.020 . 1 . . . . A 69 VAL HB . 30551 1 808 . 1 1 70 70 VAL HG11 H 1 0.756 0.020 . 2 . . . . A 69 VAL HG11 . 30551 1 809 . 1 1 70 70 VAL HG12 H 1 0.756 0.020 . 2 . . . . A 69 VAL HG12 . 30551 1 810 . 1 1 70 70 VAL HG13 H 1 0.756 0.020 . 2 . . . . A 69 VAL HG13 . 30551 1 811 . 1 1 70 70 VAL HG21 H 1 0.584 0.020 . 2 . . . . A 69 VAL HG21 . 30551 1 812 . 1 1 70 70 VAL HG22 H 1 0.584 0.020 . 2 . . . . A 69 VAL HG22 . 30551 1 813 . 1 1 70 70 VAL HG23 H 1 0.584 0.020 . 2 . . . . A 69 VAL HG23 . 30551 1 814 . 1 1 70 70 VAL CA C 13 60.786 0.400 . 1 . . . . A 69 VAL CA . 30551 1 815 . 1 1 70 70 VAL CB C 13 35.119 0.400 . 1 . . . . A 69 VAL CB . 30551 1 816 . 1 1 70 70 VAL CG1 C 13 21.892 0.400 . 2 . . . . A 69 VAL CG1 . 30551 1 817 . 1 1 70 70 VAL CG2 C 13 21.738 0.400 . 2 . . . . A 69 VAL CG2 . 30551 1 818 . 1 1 70 70 VAL N N 15 120.879 0.400 . 1 . . . . A 69 VAL N . 30551 1 819 . 1 1 71 71 ASP H H 1 8.655 0.020 . 1 . . . . A 70 ASP H . 30551 1 820 . 1 1 71 71 ASP HA H 1 3.241 0.020 . 1 . . . . A 70 ASP HA . 30551 1 821 . 1 1 71 71 ASP HB2 H 1 2.965 0.020 . 2 . . . . A 70 ASP HB2 . 30551 1 822 . 1 1 71 71 ASP HB3 H 1 2.529 0.020 . 2 . . . . A 70 ASP HB3 . 30551 1 823 . 1 1 71 71 ASP CA C 13 52.078 0.400 . 1 . . . . A 70 ASP CA . 30551 1 824 . 1 1 71 71 ASP CB C 13 40.341 0.400 . 1 . . . . A 70 ASP CB . 30551 1 825 . 1 1 71 71 ASP N N 15 126.088 0.400 . 1 . . . . A 70 ASP N . 30551 1 826 . 1 1 72 72 ALA H H 1 8.920 0.020 . 1 . . . . A 71 ALA H . 30551 1 827 . 1 1 72 72 ALA HA H 1 3.614 0.020 . 1 . . . . A 71 ALA HA . 30551 1 828 . 1 1 72 72 ALA HB1 H 1 0.930 0.020 . 1 . . . . A 71 ALA HB1 . 30551 1 829 . 1 1 72 72 ALA HB2 H 1 0.930 0.020 . 1 . . . . A 71 ALA HB2 . 30551 1 830 . 1 1 72 72 ALA HB3 H 1 0.930 0.020 . 1 . . . . A 71 ALA HB3 . 30551 1 831 . 1 1 72 72 ALA CA C 13 53.249 0.400 . 1 . . . . A 71 ALA CA . 30551 1 832 . 1 1 72 72 ALA CB C 13 20.878 0.400 . 1 . . . . A 71 ALA CB . 30551 1 833 . 1 1 72 72 ALA N N 15 129.199 0.400 . 1 . . . . A 71 ALA N . 30551 1 834 . 1 1 73 73 VAL H H 1 8.184 0.020 . 1 . . . . A 72 VAL H . 30551 1 835 . 1 1 73 73 VAL HA H 1 3.471 0.020 . 1 . . . . A 72 VAL HA . 30551 1 836 . 1 1 73 73 VAL HB H 1 2.205 0.020 . 1 . . . . A 72 VAL HB . 30551 1 837 . 1 1 73 73 VAL HG11 H 1 0.916 0.020 . 2 . . . . A 72 VAL HG11 . 30551 1 838 . 1 1 73 73 VAL HG12 H 1 0.916 0.020 . 2 . . . . A 72 VAL HG12 . 30551 1 839 . 1 1 73 73 VAL HG13 H 1 0.916 0.020 . 2 . . . . A 72 VAL HG13 . 30551 1 840 . 1 1 73 73 VAL HG21 H 1 0.858 0.020 . 2 . . . . A 72 VAL HG21 . 30551 1 841 . 1 1 73 73 VAL HG22 H 1 0.858 0.020 . 2 . . . . A 72 VAL HG22 . 30551 1 842 . 1 1 73 73 VAL HG23 H 1 0.858 0.020 . 2 . . . . A 72 VAL HG23 . 30551 1 843 . 1 1 73 73 VAL CA C 13 64.394 0.400 . 1 . . . . A 72 VAL CA . 30551 1 844 . 1 1 73 73 VAL CB C 13 30.976 0.400 . 1 . . . . A 72 VAL CB . 30551 1 845 . 1 1 73 73 VAL CG1 C 13 21.157 0.400 . 2 . . . . A 72 VAL CG1 . 30551 1 846 . 1 1 73 73 VAL CG2 C 13 23.517 0.400 . 2 . . . . A 72 VAL CG2 . 30551 1 847 . 1 1 73 73 VAL N N 15 115.194 0.400 . 1 . . . . A 72 VAL N . 30551 1 848 . 1 1 74 74 VAL H H 1 6.532 0.020 . 1 . . . . A 73 VAL H . 30551 1 849 . 1 1 74 74 VAL HA H 1 4.126 0.020 . 1 . . . . A 73 VAL HA . 30551 1 850 . 1 1 74 74 VAL HB H 1 1.866 0.020 . 1 . . . . A 73 VAL HB . 30551 1 851 . 1 1 74 74 VAL HG11 H 1 0.929 0.020 . 2 . . . . A 73 VAL HG11 . 30551 1 852 . 1 1 74 74 VAL HG12 H 1 0.929 0.020 . 2 . . . . A 73 VAL HG12 . 30551 1 853 . 1 1 74 74 VAL HG13 H 1 0.929 0.020 . 2 . . . . A 73 VAL HG13 . 30551 1 854 . 1 1 74 74 VAL HG21 H 1 0.586 0.020 . 2 . . . . A 73 VAL HG21 . 30551 1 855 . 1 1 74 74 VAL HG22 H 1 0.586 0.020 . 2 . . . . A 73 VAL HG22 . 30551 1 856 . 1 1 74 74 VAL HG23 H 1 0.586 0.020 . 2 . . . . A 73 VAL HG23 . 30551 1 857 . 1 1 74 74 VAL CA C 13 62.984 0.400 . 1 . . . . A 73 VAL CA . 30551 1 858 . 1 1 74 74 VAL CB C 13 34.701 0.400 . 1 . . . . A 73 VAL CB . 30551 1 859 . 1 1 74 74 VAL CG1 C 13 21.556 0.400 . 2 . . . . A 73 VAL CG1 . 30551 1 860 . 1 1 74 74 VAL CG2 C 13 21.611 0.400 . 2 . . . . A 73 VAL CG2 . 30551 1 861 . 1 1 74 74 VAL N N 15 114.391 0.400 . 1 . . . . A 73 VAL N . 30551 1 862 . 1 1 75 75 GLU H H 1 8.452 0.020 . 1 . . . . A 74 GLU H . 30551 1 863 . 1 1 75 75 GLU HA H 1 4.874 0.020 . 1 . . . . A 74 GLU HA . 30551 1 864 . 1 1 75 75 GLU HB2 H 1 1.925 0.020 . 2 . . . . A 74 GLU HB2 . 30551 1 865 . 1 1 75 75 GLU HB3 H 1 1.642 0.020 . 2 . . . . A 74 GLU HB3 . 30551 1 866 . 1 1 75 75 GLU HG2 H 1 2.547 0.020 . 2 . . . . A 74 GLU HG2 . 30551 1 867 . 1 1 75 75 GLU HG3 H 1 2.547 0.020 . 2 . . . . A 74 GLU HG3 . 30551 1 868 . 1 1 75 75 GLU CA C 13 52.603 0.400 . 1 . . . . A 74 GLU CA . 30551 1 869 . 1 1 75 75 GLU CB C 13 25.188 0.400 . 1 . . . . A 74 GLU CB . 30551 1 870 . 1 1 75 75 GLU CG C 13 34.376 0.400 . 1 . . . . A 74 GLU CG . 30551 1 871 . 1 1 75 75 GLU N N 15 121.994 0.400 . 1 . . . . A 74 GLU N . 30551 1 872 . 1 1 76 76 THR H H 1 7.505 0.020 . 1 . . . . A 75 THR H . 30551 1 873 . 1 1 76 76 THR HA H 1 3.612 0.020 . 1 . . . . A 75 THR HA . 30551 1 874 . 1 1 76 76 THR HB H 1 4.084 0.020 . 1 . . . . A 75 THR HB . 30551 1 875 . 1 1 76 76 THR HG21 H 1 1.119 0.020 . 1 . . . . A 75 THR HG21 . 30551 1 876 . 1 1 76 76 THR HG22 H 1 1.119 0.020 . 1 . . . . A 75 THR HG22 . 30551 1 877 . 1 1 76 76 THR HG23 H 1 1.119 0.020 . 1 . . . . A 75 THR HG23 . 30551 1 878 . 1 1 76 76 THR CA C 13 65.418 0.400 . 1 . . . . A 75 THR CA . 30551 1 879 . 1 1 76 76 THR CB C 13 67.825 0.400 . 1 . . . . A 75 THR CB . 30551 1 880 . 1 1 76 76 THR CG2 C 13 21.819 0.400 . 1 . . . . A 75 THR CG2 . 30551 1 881 . 1 1 76 76 THR N N 15 111.487 0.400 . 1 . . . . A 75 THR N . 30551 1 882 . 1 1 77 77 ASP H H 1 8.384 0.020 . 1 . . . . A 76 ASP H . 30551 1 883 . 1 1 77 77 ASP HA H 1 4.438 0.020 . 1 . . . . A 76 ASP HA . 30551 1 884 . 1 1 77 77 ASP HB2 H 1 2.625 0.020 . 2 . . . . A 76 ASP HB2 . 30551 1 885 . 1 1 77 77 ASP HB3 H 1 2.497 0.020 . 2 . . . . A 76 ASP HB3 . 30551 1 886 . 1 1 77 77 ASP CA C 13 57.078 0.400 . 1 . . . . A 76 ASP CA . 30551 1 887 . 1 1 77 77 ASP CB C 13 39.892 0.400 . 1 . . . . A 76 ASP CB . 30551 1 888 . 1 1 77 77 ASP N N 15 122.669 0.400 . 1 . . . . A 76 ASP N . 30551 1 889 . 1 1 78 78 LEU H H 1 7.769 0.020 . 1 . . . . A 77 LEU H . 30551 1 890 . 1 1 78 78 LEU HA H 1 3.780 0.020 . 1 . . . . A 77 LEU HA . 30551 1 891 . 1 1 78 78 LEU HB2 H 1 1.428 0.020 . 2 . . . . A 77 LEU HB2 . 30551 1 892 . 1 1 78 78 LEU HB3 H 1 1.369 0.020 . 2 . . . . A 77 LEU HB3 . 30551 1 893 . 1 1 78 78 LEU HG H 1 0.867 0.020 . 1 . . . . A 77 LEU HG . 30551 1 894 . 1 1 78 78 LEU HD11 H 1 0.210 0.020 . 2 . . . . A 77 LEU HD11 . 30551 1 895 . 1 1 78 78 LEU HD12 H 1 0.210 0.020 . 2 . . . . A 77 LEU HD12 . 30551 1 896 . 1 1 78 78 LEU HD13 H 1 0.210 0.020 . 2 . . . . A 77 LEU HD13 . 30551 1 897 . 1 1 78 78 LEU HD21 H 1 -0.441 0.020 . 2 . . . . A 77 LEU HD21 . 30551 1 898 . 1 1 78 78 LEU HD22 H 1 -0.441 0.020 . 2 . . . . A 77 LEU HD22 . 30551 1 899 . 1 1 78 78 LEU HD23 H 1 -0.441 0.020 . 2 . . . . A 77 LEU HD23 . 30551 1 900 . 1 1 78 78 LEU CA C 13 57.081 0.400 . 1 . . . . A 77 LEU CA . 30551 1 901 . 1 1 78 78 LEU CB C 13 41.276 0.400 . 1 . . . . A 77 LEU CB . 30551 1 902 . 1 1 78 78 LEU CG C 13 26.531 0.400 . 1 . . . . A 77 LEU CG . 30551 1 903 . 1 1 78 78 LEU CD1 C 13 25.053 0.400 . 2 . . . . A 77 LEU CD1 . 30551 1 904 . 1 1 78 78 LEU CD2 C 13 20.499 0.400 . 2 . . . . A 77 LEU CD2 . 30551 1 905 . 1 1 78 78 LEU N N 15 122.588 0.400 . 1 . . . . A 77 LEU N . 30551 1 906 . 1 1 79 79 VAL H H 1 7.697 0.020 . 1 . . . . A 78 VAL H . 30551 1 907 . 1 1 79 79 VAL HA H 1 3.346 0.020 . 1 . . . . A 78 VAL HA . 30551 1 908 . 1 1 79 79 VAL HB H 1 2.063 0.020 . 1 . . . . A 78 VAL HB . 30551 1 909 . 1 1 79 79 VAL HG11 H 1 1.063 0.020 . 2 . . . . A 78 VAL HG11 . 30551 1 910 . 1 1 79 79 VAL HG12 H 1 1.063 0.020 . 2 . . . . A 78 VAL HG12 . 30551 1 911 . 1 1 79 79 VAL HG13 H 1 1.063 0.020 . 2 . . . . A 78 VAL HG13 . 30551 1 912 . 1 1 79 79 VAL HG21 H 1 0.918 0.020 . 2 . . . . A 78 VAL HG21 . 30551 1 913 . 1 1 79 79 VAL HG22 H 1 0.918 0.020 . 2 . . . . A 78 VAL HG22 . 30551 1 914 . 1 1 79 79 VAL HG23 H 1 0.918 0.020 . 2 . . . . A 78 VAL HG23 . 30551 1 915 . 1 1 79 79 VAL CA C 13 67.070 0.400 . 1 . . . . A 78 VAL CA . 30551 1 916 . 1 1 79 79 VAL CB C 13 30.721 0.400 . 1 . . . . A 78 VAL CB . 30551 1 917 . 1 1 79 79 VAL CG1 C 13 22.735 0.400 . 2 . . . . A 78 VAL CG1 . 30551 1 918 . 1 1 79 79 VAL CG2 C 13 23.729 0.400 . 2 . . . . A 78 VAL CG2 . 30551 1 919 . 1 1 79 79 VAL N N 15 116.598 0.400 . 1 . . . . A 78 VAL N . 30551 1 920 . 1 1 80 80 SER H H 1 7.770 0.020 . 1 . . . . A 79 SER H . 30551 1 921 . 1 1 80 80 SER HA H 1 4.271 0.020 . 1 . . . . A 79 SER HA . 30551 1 922 . 1 1 80 80 SER HB2 H 1 3.965 0.020 . 2 . . . . A 79 SER HB2 . 30551 1 923 . 1 1 80 80 SER HB3 H 1 3.921 0.020 . 2 . . . . A 79 SER HB3 . 30551 1 924 . 1 1 80 80 SER CA C 13 61.063 0.400 . 1 . . . . A 79 SER CA . 30551 1 925 . 1 1 80 80 SER CB C 13 62.256 0.400 . 1 . . . . A 79 SER CB . 30551 1 926 . 1 1 80 80 SER N N 15 114.121 0.400 . 1 . . . . A 79 SER N . 30551 1 927 . 1 1 81 81 ALA H H 1 7.759 0.020 . 1 . . . . A 80 ALA H . 30551 1 928 . 1 1 81 81 ALA HA H 1 4.106 0.020 . 1 . . . . A 80 ALA HA . 30551 1 929 . 1 1 81 81 ALA HB1 H 1 1.366 0.020 . 1 . . . . A 80 ALA HB1 . 30551 1 930 . 1 1 81 81 ALA HB2 H 1 1.366 0.020 . 1 . . . . A 80 ALA HB2 . 30551 1 931 . 1 1 81 81 ALA HB3 H 1 1.366 0.020 . 1 . . . . A 80 ALA HB3 . 30551 1 932 . 1 1 81 81 ALA CA C 13 54.656 0.400 . 1 . . . . A 80 ALA CA . 30551 1 933 . 1 1 81 81 ALA CB C 13 17.587 0.400 . 1 . . . . A 80 ALA CB . 30551 1 934 . 1 1 81 81 ALA N N 15 125.510 0.400 . 1 . . . . A 80 ALA N . 30551 1 935 . 1 1 82 82 LEU H H 1 7.730 0.020 . 1 . . . . A 81 LEU H . 30551 1 936 . 1 1 82 82 LEU HA H 1 4.090 0.020 . 1 . . . . A 81 LEU HA . 30551 1 937 . 1 1 82 82 LEU HB2 H 1 1.708 0.020 . 2 . . . . A 81 LEU HB2 . 30551 1 938 . 1 1 82 82 LEU HB3 H 1 1.387 0.020 . 2 . . . . A 81 LEU HB3 . 30551 1 939 . 1 1 82 82 LEU HG H 1 1.482 0.020 . 1 . . . . A 81 LEU HG . 30551 1 940 . 1 1 82 82 LEU HD11 H 1 0.382 0.020 . 2 . . . . A 81 LEU HD11 . 30551 1 941 . 1 1 82 82 LEU HD12 H 1 0.382 0.020 . 2 . . . . A 81 LEU HD12 . 30551 1 942 . 1 1 82 82 LEU HD13 H 1 0.382 0.020 . 2 . . . . A 81 LEU HD13 . 30551 1 943 . 1 1 82 82 LEU HD21 H 1 0.805 0.020 . 2 . . . . A 81 LEU HD21 . 30551 1 944 . 1 1 82 82 LEU HD22 H 1 0.805 0.020 . 2 . . . . A 81 LEU HD22 . 30551 1 945 . 1 1 82 82 LEU HD23 H 1 0.805 0.020 . 2 . . . . A 81 LEU HD23 . 30551 1 946 . 1 1 82 82 LEU CA C 13 54.796 0.400 . 1 . . . . A 81 LEU CA . 30551 1 947 . 1 1 82 82 LEU CB C 13 42.765 0.400 . 1 . . . . A 81 LEU CB . 30551 1 948 . 1 1 82 82 LEU CG C 13 26.033 0.400 . 1 . . . . A 81 LEU CG . 30551 1 949 . 1 1 82 82 LEU CD1 C 13 24.246 0.400 . 2 . . . . A 81 LEU CD1 . 30551 1 950 . 1 1 82 82 LEU CD2 C 13 21.518 0.400 . 2 . . . . A 81 LEU CD2 . 30551 1 951 . 1 1 82 82 LEU N N 15 114.901 0.400 . 1 . . . . A 81 LEU N . 30551 1 952 . 1 1 83 83 LYS H H 1 7.844 0.020 . 1 . . . . A 82 LYS H . 30551 1 953 . 1 1 83 83 LYS HA H 1 3.815 0.020 . 1 . . . . A 82 LYS HA . 30551 1 954 . 1 1 83 83 LYS HB2 H 1 2.004 0.020 . 2 . . . . A 82 LYS HB2 . 30551 1 955 . 1 1 83 83 LYS HB3 H 1 1.769 0.020 . 2 . . . . A 82 LYS HB3 . 30551 1 956 . 1 1 83 83 LYS HD2 H 1 1.369 0.020 . 2 . . . . A 82 LYS HD2 . 30551 1 957 . 1 1 83 83 LYS HD3 H 1 1.325 0.020 . 2 . . . . A 82 LYS HD3 . 30551 1 958 . 1 1 83 83 LYS HE2 H 1 3.001 0.020 . 2 . . . . A 82 LYS HE2 . 30551 1 959 . 1 1 83 83 LYS HE3 H 1 3.001 0.020 . 2 . . . . A 82 LYS HE3 . 30551 1 960 . 1 1 83 83 LYS CA C 13 56.570 0.400 . 1 . . . . A 82 LYS CA . 30551 1 961 . 1 1 83 83 LYS CB C 13 28.724 0.400 . 1 . . . . A 82 LYS CB . 30551 1 962 . 1 1 83 83 LYS CD C 13 24.289 0.400 . 1 . . . . A 82 LYS CD . 30551 1 963 . 1 1 83 83 LYS CE C 13 41.882 0.400 . 1 . . . . A 82 LYS CE . 30551 1 964 . 1 1 83 83 LYS N N 15 116.304 0.400 . 1 . . . . A 82 LYS N . 30551 1 965 . 1 1 84 84 VAL H H 1 7.073 0.020 . 1 . . . . A 83 VAL H . 30551 1 966 . 1 1 84 84 VAL HA H 1 3.827 0.020 . 1 . . . . A 83 VAL HA . 30551 1 967 . 1 1 84 84 VAL HB H 1 1.713 0.020 . 1 . . . . A 83 VAL HB . 30551 1 968 . 1 1 84 84 VAL HG11 H 1 0.393 0.020 . 2 . . . . A 83 VAL HG11 . 30551 1 969 . 1 1 84 84 VAL HG12 H 1 0.393 0.020 . 2 . . . . A 83 VAL HG12 . 30551 1 970 . 1 1 84 84 VAL HG13 H 1 0.393 0.020 . 2 . . . . A 83 VAL HG13 . 30551 1 971 . 1 1 84 84 VAL HG21 H 1 0.779 0.020 . 2 . . . . A 83 VAL HG21 . 30551 1 972 . 1 1 84 84 VAL HG22 H 1 0.779 0.020 . 2 . . . . A 83 VAL HG22 . 30551 1 973 . 1 1 84 84 VAL HG23 H 1 0.779 0.020 . 2 . . . . A 83 VAL HG23 . 30551 1 974 . 1 1 84 84 VAL CA C 13 62.413 0.400 . 1 . . . . A 83 VAL CA . 30551 1 975 . 1 1 84 84 VAL CB C 13 31.746 0.400 . 1 . . . . A 83 VAL CB . 30551 1 976 . 1 1 84 84 VAL CG1 C 13 22.546 0.400 . 2 . . . . A 83 VAL CG1 . 30551 1 977 . 1 1 84 84 VAL CG2 C 13 21.361 0.400 . 2 . . . . A 83 VAL CG2 . 30551 1 978 . 1 1 84 84 VAL N N 15 118.901 0.400 . 1 . . . . A 83 VAL N . 30551 1 979 . 1 1 85 85 SER HA H 1 4.294 0.020 . 1 . . . . A 84 SER HA . 30551 1 980 . 1 1 85 85 SER HB2 H 1 3.774 0.020 . 2 . . . . A 84 SER HB2 . 30551 1 981 . 1 1 85 85 SER HB3 H 1 3.612 0.020 . 2 . . . . A 84 SER HB3 . 30551 1 982 . 1 1 85 85 SER CA C 13 57.790 0.400 . 1 . . . . A 84 SER CA . 30551 1 983 . 1 1 85 85 SER CB C 13 64.549 0.400 . 1 . . . . A 84 SER CB . 30551 1 984 . 1 1 86 86 VAL H H 1 7.099 0.020 . 1 . . . . A 85 VAL H . 30551 1 985 . 1 1 86 86 VAL HA H 1 3.903 0.020 . 1 . . . . A 85 VAL HA . 30551 1 986 . 1 1 86 86 VAL HB H 1 1.703 0.020 . 1 . . . . A 85 VAL HB . 30551 1 987 . 1 1 86 86 VAL HG11 H 1 0.831 0.020 . 2 . . . . A 85 VAL HG11 . 30551 1 988 . 1 1 86 86 VAL HG12 H 1 0.831 0.020 . 2 . . . . A 85 VAL HG12 . 30551 1 989 . 1 1 86 86 VAL HG13 H 1 0.831 0.020 . 2 . . . . A 85 VAL HG13 . 30551 1 990 . 1 1 86 86 VAL HG21 H 1 0.397 0.020 . 2 . . . . A 85 VAL HG21 . 30551 1 991 . 1 1 86 86 VAL HG22 H 1 0.397 0.020 . 2 . . . . A 85 VAL HG22 . 30551 1 992 . 1 1 86 86 VAL HG23 H 1 0.397 0.020 . 2 . . . . A 85 VAL HG23 . 30551 1 993 . 1 1 86 86 VAL CA C 13 60.813 0.400 . 1 . . . . A 85 VAL CA . 30551 1 994 . 1 1 86 86 VAL CB C 13 34.056 0.400 . 1 . . . . A 85 VAL CB . 30551 1 995 . 1 1 86 86 VAL CG1 C 13 20.723 0.400 . 2 . . . . A 85 VAL CG1 . 30551 1 996 . 1 1 86 86 VAL CG2 C 13 22.506 0.400 . 2 . . . . A 85 VAL CG2 . 30551 1 997 . 1 1 86 86 VAL N N 15 122.998 0.400 . 1 . . . . A 85 VAL N . 30551 1 998 . 1 1 87 87 PHE H H 1 7.961 0.020 . 1 . . . . A 86 PHE H . 30551 1 999 . 1 1 87 87 PHE HA H 1 4.565 0.020 . 1 . . . . A 86 PHE HA . 30551 1 1000 . 1 1 87 87 PHE HB2 H 1 2.990 0.020 . 2 . . . . A 86 PHE HB2 . 30551 1 1001 . 1 1 87 87 PHE HB3 H 1 2.584 0.020 . 2 . . . . A 86 PHE HB3 . 30551 1 1002 . 1 1 87 87 PHE HD1 H 1 6.890 0.020 . 1 . . . . A 86 PHE HD1 . 30551 1 1003 . 1 1 87 87 PHE HD2 H 1 6.890 0.020 . 1 . . . . A 86 PHE HD2 . 30551 1 1004 . 1 1 87 87 PHE HE1 H 1 6.976 0.020 . 1 . . . . A 86 PHE HE1 . 30551 1 1005 . 1 1 87 87 PHE HE2 H 1 6.976 0.020 . 1 . . . . A 86 PHE HE2 . 30551 1 1006 . 1 1 87 87 PHE HZ H 1 7.052 0.020 . 1 . . . . A 86 PHE HZ . 30551 1 1007 . 1 1 87 87 PHE CA C 13 54.014 0.400 . 1 . . . . A 86 PHE CA . 30551 1 1008 . 1 1 87 87 PHE CB C 13 41.107 0.400 . 1 . . . . A 86 PHE CB . 30551 1 1009 . 1 1 87 87 PHE CD1 C 13 131.435 0.400 . 3 . . . . A 86 PHE CD1 . 30551 1 1010 . 1 1 87 87 PHE CE1 C 13 131.252 0.400 . 3 . . . . A 86 PHE CE1 . 30551 1 1011 . 1 1 87 87 PHE CZ C 13 129.446 0.400 . 1 . . . . A 86 PHE CZ . 30551 1 1012 . 1 1 87 87 PHE N N 15 120.201 0.400 . 1 . . . . A 86 PHE N . 30551 1 1013 . 1 1 88 88 PRO HA H 1 5.032 0.020 . 1 . . . . A 87 PRO HA . 30551 1 1014 . 1 1 88 88 PRO HB2 H 1 2.335 0.020 . 2 . . . . A 87 PRO HB2 . 30551 1 1015 . 1 1 88 88 PRO HB3 H 1 1.470 0.020 . 2 . . . . A 87 PRO HB3 . 30551 1 1016 . 1 1 88 88 PRO HG2 H 1 -0.033 0.020 . 2 . . . . A 87 PRO HG2 . 30551 1 1017 . 1 1 88 88 PRO HG3 H 1 0.007 0.020 . 2 . . . . A 87 PRO HG3 . 30551 1 1018 . 1 1 88 88 PRO HD2 H 1 3.147 0.020 . 2 . . . . A 87 PRO HD2 . 30551 1 1019 . 1 1 88 88 PRO HD3 H 1 3.147 0.020 . 2 . . . . A 87 PRO HD3 . 30551 1 1020 . 1 1 88 88 PRO CA C 13 62.547 0.400 . 1 . . . . A 87 PRO CA . 30551 1 1021 . 1 1 88 88 PRO CB C 13 35.163 0.400 . 1 . . . . A 87 PRO CB . 30551 1 1022 . 1 1 88 88 PRO CG C 13 22.642 0.400 . 1 . . . . A 87 PRO CG . 30551 1 1023 . 1 1 88 88 PRO CD C 13 48.967 0.400 . 1 . . . . A 87 PRO CD . 30551 1 1024 . 1 1 89 89 GLU H H 1 8.242 0.020 . 1 . . . . A 88 GLU H . 30551 1 1025 . 1 1 89 89 GLU HA H 1 4.929 0.020 . 1 . . . . A 88 GLU HA . 30551 1 1026 . 1 1 89 89 GLU HB2 H 1 2.119 0.020 . 2 . . . . A 88 GLU HB2 . 30551 1 1027 . 1 1 89 89 GLU HB3 H 1 1.685 0.020 . 2 . . . . A 88 GLU HB3 . 30551 1 1028 . 1 1 89 89 GLU HG2 H 1 1.986 0.020 . 2 . . . . A 88 GLU HG2 . 30551 1 1029 . 1 1 89 89 GLU HG3 H 1 1.863 0.020 . 2 . . . . A 88 GLU HG3 . 30551 1 1030 . 1 1 89 89 GLU CA C 13 56.240 0.400 . 1 . . . . A 88 GLU CA . 30551 1 1031 . 1 1 89 89 GLU CB C 13 35.410 0.400 . 1 . . . . A 88 GLU CB . 30551 1 1032 . 1 1 89 89 GLU CG C 13 37.806 0.400 . 1 . . . . A 88 GLU CG . 30551 1 1033 . 1 1 89 89 GLU N N 15 116.496 0.400 . 1 . . . . A 88 GLU N . 30551 1 1034 . 1 1 90 90 ILE H H 1 8.769 0.020 . 1 . . . . A 89 ILE H . 30551 1 1035 . 1 1 90 90 ILE HA H 1 5.252 0.020 . 1 . . . . A 89 ILE HA . 30551 1 1036 . 1 1 90 90 ILE HB H 1 1.818 0.020 . 1 . . . . A 89 ILE HB . 30551 1 1037 . 1 1 90 90 ILE HG12 H 1 2.000 0.020 . 2 . . . . A 89 ILE HG12 . 30551 1 1038 . 1 1 90 90 ILE HG13 H 1 0.911 0.020 . 2 . . . . A 89 ILE HG13 . 30551 1 1039 . 1 1 90 90 ILE HG21 H 1 0.478 0.020 . 1 . . . . A 89 ILE HG21 . 30551 1 1040 . 1 1 90 90 ILE HG22 H 1 0.478 0.020 . 1 . . . . A 89 ILE HG22 . 30551 1 1041 . 1 1 90 90 ILE HG23 H 1 0.478 0.020 . 1 . . . . A 89 ILE HG23 . 30551 1 1042 . 1 1 90 90 ILE HD11 H 1 0.818 0.020 . 1 . . . . A 89 ILE HD11 . 30551 1 1043 . 1 1 90 90 ILE HD12 H 1 0.818 0.020 . 1 . . . . A 89 ILE HD12 . 30551 1 1044 . 1 1 90 90 ILE HD13 H 1 0.818 0.020 . 1 . . . . A 89 ILE HD13 . 30551 1 1045 . 1 1 90 90 ILE CA C 13 59.665 0.400 . 1 . . . . A 89 ILE CA . 30551 1 1046 . 1 1 90 90 ILE CB C 13 40.311 0.400 . 1 . . . . A 89 ILE CB . 30551 1 1047 . 1 1 90 90 ILE CG1 C 13 28.224 0.400 . 1 . . . . A 89 ILE CG1 . 30551 1 1048 . 1 1 90 90 ILE CG2 C 13 18.663 0.400 . 1 . . . . A 89 ILE CG2 . 30551 1 1049 . 1 1 90 90 ILE CD1 C 13 14.707 0.400 . 1 . . . . A 89 ILE CD1 . 30551 1 1050 . 1 1 90 90 ILE N N 15 122.999 0.400 . 1 . . . . A 89 ILE N . 30551 1 1051 . 1 1 91 91 ILE H H 1 9.716 0.020 . 1 . . . . A 90 ILE H . 30551 1 1052 . 1 1 91 91 ILE HA H 1 4.567 0.020 . 1 . . . . A 90 ILE HA . 30551 1 1053 . 1 1 91 91 ILE HB H 1 1.839 0.020 . 1 . . . . A 90 ILE HB . 30551 1 1054 . 1 1 91 91 ILE HG12 H 1 1.274 0.020 . 2 . . . . A 90 ILE HG12 . 30551 1 1055 . 1 1 91 91 ILE HG13 H 1 1.731 0.020 . 2 . . . . A 90 ILE HG13 . 30551 1 1056 . 1 1 91 91 ILE HG21 H 1 0.875 0.020 . 1 . . . . A 90 ILE HG21 . 30551 1 1057 . 1 1 91 91 ILE HG22 H 1 0.875 0.020 . 1 . . . . A 90 ILE HG22 . 30551 1 1058 . 1 1 91 91 ILE HG23 H 1 0.875 0.020 . 1 . . . . A 90 ILE HG23 . 30551 1 1059 . 1 1 91 91 ILE HD11 H 1 0.803 0.020 . 1 . . . . A 90 ILE HD11 . 30551 1 1060 . 1 1 91 91 ILE HD12 H 1 0.803 0.020 . 1 . . . . A 90 ILE HD12 . 30551 1 1061 . 1 1 91 91 ILE HD13 H 1 0.803 0.020 . 1 . . . . A 90 ILE HD13 . 30551 1 1062 . 1 1 91 91 ILE CA C 13 61.093 0.400 . 1 . . . . A 90 ILE CA . 30551 1 1063 . 1 1 91 91 ILE CB C 13 39.820 0.400 . 1 . . . . A 90 ILE CB . 30551 1 1064 . 1 1 91 91 ILE CG1 C 13 27.916 0.400 . 1 . . . . A 90 ILE CG1 . 30551 1 1065 . 1 1 91 91 ILE CG2 C 13 19.358 0.400 . 1 . . . . A 90 ILE CG2 . 30551 1 1066 . 1 1 91 91 ILE CD1 C 13 15.171 0.400 . 1 . . . . A 90 ILE CD1 . 30551 1 1067 . 1 1 91 91 ILE N N 15 128.220 0.400 . 1 . . . . A 90 ILE N . 30551 1 1068 . 1 1 92 92 PHE H H 1 9.290 0.020 . 1 . . . . A 91 PHE H . 30551 1 1069 . 1 1 92 92 PHE HA H 1 4.702 0.020 . 1 . . . . A 91 PHE HA . 30551 1 1070 . 1 1 92 92 PHE HB2 H 1 3.130 0.020 . 2 . . . . A 91 PHE HB2 . 30551 1 1071 . 1 1 92 92 PHE HB3 H 1 2.607 0.020 . 2 . . . . A 91 PHE HB3 . 30551 1 1072 . 1 1 92 92 PHE HD1 H 1 7.273 0.020 . 1 . . . . A 91 PHE HD1 . 30551 1 1073 . 1 1 92 92 PHE HD2 H 1 7.273 0.020 . 1 . . . . A 91 PHE HD2 . 30551 1 1074 . 1 1 92 92 PHE HE1 H 1 7.150 0.020 . 1 . . . . A 91 PHE HE1 . 30551 1 1075 . 1 1 92 92 PHE HE2 H 1 7.150 0.020 . 1 . . . . A 91 PHE HE2 . 30551 1 1076 . 1 1 92 92 PHE HZ H 1 7.147 0.020 . 1 . . . . A 91 PHE HZ . 30551 1 1077 . 1 1 92 92 PHE CA C 13 57.519 0.400 . 1 . . . . A 91 PHE CA . 30551 1 1078 . 1 1 92 92 PHE CB C 13 38.765 0.400 . 1 . . . . A 91 PHE CB . 30551 1 1079 . 1 1 92 92 PHE CD1 C 13 132.024 0.400 . 3 . . . . A 91 PHE CD1 . 30551 1 1080 . 1 1 92 92 PHE CE1 C 13 131.156 0.400 . 3 . . . . A 91 PHE CE1 . 30551 1 1081 . 1 1 92 92 PHE CZ C 13 128.701 0.400 . 1 . . . . A 91 PHE CZ . 30551 1 1082 . 1 1 92 92 PHE N N 15 127.686 0.400 . 1 . . . . A 91 PHE N . 30551 1 1083 . 1 1 93 93 THR H H 1 8.522 0.020 . 1 . . . . A 92 THR H . 30551 1 1084 . 1 1 93 93 THR HA H 1 5.876 0.020 . 1 . . . . A 92 THR HA . 30551 1 1085 . 1 1 93 93 THR HB H 1 4.062 0.020 . 1 . . . . A 92 THR HB . 30551 1 1086 . 1 1 93 93 THR HG21 H 1 1.028 0.020 . 1 . . . . A 92 THR HG21 . 30551 1 1087 . 1 1 93 93 THR HG22 H 1 1.028 0.020 . 1 . . . . A 92 THR HG22 . 30551 1 1088 . 1 1 93 93 THR HG23 H 1 1.028 0.020 . 1 . . . . A 92 THR HG23 . 30551 1 1089 . 1 1 93 93 THR CA C 13 60.027 0.400 . 1 . . . . A 92 THR CA . 30551 1 1090 . 1 1 93 93 THR CB C 13 72.285 0.400 . 1 . . . . A 92 THR CB . 30551 1 1091 . 1 1 93 93 THR CG2 C 13 21.464 0.400 . 1 . . . . A 92 THR CG2 . 30551 1 1092 . 1 1 93 93 THR N N 15 114.214 0.400 . 1 . . . . A 92 THR N . 30551 1 1093 . 1 1 94 94 LYS H H 1 8.887 0.020 . 1 . . . . A 93 LYS H . 30551 1 1094 . 1 1 94 94 LYS HA H 1 4.182 0.020 . 1 . . . . A 93 LYS HA . 30551 1 1095 . 1 1 94 94 LYS HB2 H 1 2.301 0.020 . 2 . . . . A 93 LYS HB2 . 30551 1 1096 . 1 1 94 94 LYS HB3 H 1 1.874 0.020 . 2 . . . . A 93 LYS HB3 . 30551 1 1097 . 1 1 94 94 LYS HG2 H 1 1.414 0.020 . 2 . . . . A 93 LYS HG2 . 30551 1 1098 . 1 1 94 94 LYS HG3 H 1 1.310 0.020 . 2 . . . . A 93 LYS HG3 . 30551 1 1099 . 1 1 94 94 LYS HD2 H 1 1.831 0.020 . 2 . . . . A 93 LYS HD2 . 30551 1 1100 . 1 1 94 94 LYS HD3 H 1 1.831 0.020 . 2 . . . . A 93 LYS HD3 . 30551 1 1101 . 1 1 94 94 LYS HE2 H 1 3.061 0.020 . 2 . . . . A 93 LYS HE2 . 30551 1 1102 . 1 1 94 94 LYS HE3 H 1 3.061 0.020 . 2 . . . . A 93 LYS HE3 . 30551 1 1103 . 1 1 94 94 LYS CA C 13 58.810 0.400 . 1 . . . . A 93 LYS CA . 30551 1 1104 . 1 1 94 94 LYS CB C 13 36.511 0.400 . 1 . . . . A 93 LYS CB . 30551 1 1105 . 1 1 94 94 LYS CG C 13 25.200 0.400 . 1 . . . . A 93 LYS CG . 30551 1 1106 . 1 1 94 94 LYS CD C 13 30.031 0.400 . 1 . . . . A 93 LYS CD . 30551 1 1107 . 1 1 94 94 LYS CE C 13 41.902 0.400 . 1 . . . . A 93 LYS CE . 30551 1 1108 . 1 1 94 94 LYS N N 15 121.423 0.400 . 1 . . . . A 93 LYS N . 30551 1 1109 . 1 1 95 95 ALA H H 1 8.736 0.020 . 1 . . . . A 94 ALA H . 30551 1 1110 . 1 1 95 95 ALA HA H 1 4.101 0.020 . 1 . . . . A 94 ALA HA . 30551 1 1111 . 1 1 95 95 ALA HB1 H 1 1.416 0.020 . 1 . . . . A 94 ALA HB1 . 30551 1 1112 . 1 1 95 95 ALA HB2 H 1 1.416 0.020 . 1 . . . . A 94 ALA HB2 . 30551 1 1113 . 1 1 95 95 ALA HB3 H 1 1.416 0.020 . 1 . . . . A 94 ALA HB3 . 30551 1 1114 . 1 1 95 95 ALA CA C 13 52.890 0.400 . 1 . . . . A 94 ALA CA . 30551 1 1115 . 1 1 95 95 ALA CB C 13 17.222 0.400 . 1 . . . . A 94 ALA CB . 30551 1 1116 . 1 1 95 95 ALA N N 15 131.714 0.400 . 1 . . . . A 94 ALA N . 30551 1 1117 . 1 1 96 96 GLY H H 1 9.943 0.020 . 1 . . . . A 95 GLY H . 30551 1 1118 . 1 1 96 96 GLY HA2 H 1 4.140 0.020 . 2 . . . . A 95 GLY HA2 . 30551 1 1119 . 1 1 96 96 GLY HA3 H 1 3.483 0.020 . 2 . . . . A 95 GLY HA3 . 30551 1 1120 . 1 1 96 96 GLY CA C 13 45.733 0.400 . 1 . . . . A 95 GLY CA . 30551 1 1121 . 1 1 96 96 GLY N N 15 106.087 0.400 . 1 . . . . A 95 GLY N . 30551 1 1122 . 1 1 97 97 LYS H H 1 7.969 0.020 . 1 . . . . A 96 LYS H . 30551 1 1123 . 1 1 97 97 LYS HA H 1 5.095 0.020 . 1 . . . . A 96 LYS HA . 30551 1 1124 . 1 1 97 97 LYS HB2 H 1 1.826 0.020 . 2 . . . . A 96 LYS HB2 . 30551 1 1125 . 1 1 97 97 LYS HB3 H 1 1.575 0.020 . 2 . . . . A 96 LYS HB3 . 30551 1 1126 . 1 1 97 97 LYS HG2 H 1 1.364 0.020 . 2 . . . . A 96 LYS HG2 . 30551 1 1127 . 1 1 97 97 LYS HG3 H 1 1.454 0.020 . 2 . . . . A 96 LYS HG3 . 30551 1 1128 . 1 1 97 97 LYS HD2 H 1 1.650 0.020 . 2 . . . . A 96 LYS HD2 . 30551 1 1129 . 1 1 97 97 LYS HD3 H 1 1.479 0.020 . 2 . . . . A 96 LYS HD3 . 30551 1 1130 . 1 1 97 97 LYS HE2 H 1 2.992 0.020 . 2 . . . . A 96 LYS HE2 . 30551 1 1131 . 1 1 97 97 LYS HE3 H 1 2.992 0.020 . 2 . . . . A 96 LYS HE3 . 30551 1 1132 . 1 1 97 97 LYS CA C 13 53.610 0.400 . 1 . . . . A 96 LYS CA . 30551 1 1133 . 1 1 97 97 LYS CB C 13 35.339 0.400 . 1 . . . . A 96 LYS CB . 30551 1 1134 . 1 1 97 97 LYS CG C 13 24.350 0.400 . 1 . . . . A 96 LYS CG . 30551 1 1135 . 1 1 97 97 LYS CD C 13 28.379 0.400 . 1 . . . . A 96 LYS CD . 30551 1 1136 . 1 1 97 97 LYS CE C 13 41.967 0.400 . 1 . . . . A 96 LYS CE . 30551 1 1137 . 1 1 97 97 LYS N N 15 118.959 0.400 . 1 . . . . A 96 LYS N . 30551 1 1138 . 1 1 98 98 ILE H H 1 9.084 0.020 . 1 . . . . A 97 ILE H . 30551 1 1139 . 1 1 98 98 ILE HA H 1 3.992 0.020 . 1 . . . . A 97 ILE HA . 30551 1 1140 . 1 1 98 98 ILE HB H 1 1.656 0.020 . 1 . . . . A 97 ILE HB . 30551 1 1141 . 1 1 98 98 ILE HG12 H 1 0.649 0.020 . 2 . . . . A 97 ILE HG12 . 30551 1 1142 . 1 1 98 98 ILE HG13 H 1 1.552 0.020 . 2 . . . . A 97 ILE HG13 . 30551 1 1143 . 1 1 98 98 ILE HG21 H 1 0.781 0.020 . 1 . . . . A 97 ILE HG21 . 30551 1 1144 . 1 1 98 98 ILE HG22 H 1 0.781 0.020 . 1 . . . . A 97 ILE HG22 . 30551 1 1145 . 1 1 98 98 ILE HG23 H 1 0.781 0.020 . 1 . . . . A 97 ILE HG23 . 30551 1 1146 . 1 1 98 98 ILE HD11 H 1 0.793 0.020 . 1 . . . . A 97 ILE HD11 . 30551 1 1147 . 1 1 98 98 ILE HD12 H 1 0.793 0.020 . 1 . . . . A 97 ILE HD12 . 30551 1 1148 . 1 1 98 98 ILE HD13 H 1 0.793 0.020 . 1 . . . . A 97 ILE HD13 . 30551 1 1149 . 1 1 98 98 ILE CA C 13 61.597 0.400 . 1 . . . . A 97 ILE CA . 30551 1 1150 . 1 1 98 98 ILE CB C 13 38.636 0.400 . 1 . . . . A 97 ILE CB . 30551 1 1151 . 1 1 98 98 ILE CG1 C 13 28.076 0.400 . 1 . . . . A 97 ILE CG1 . 30551 1 1152 . 1 1 98 98 ILE CG2 C 13 17.118 0.400 . 1 . . . . A 97 ILE CG2 . 30551 1 1153 . 1 1 98 98 ILE CD1 C 13 13.242 0.400 . 1 . . . . A 97 ILE CD1 . 30551 1 1154 . 1 1 98 98 ILE N N 15 121.105 0.400 . 1 . . . . A 97 ILE N . 30551 1 1155 . 1 1 99 99 LEU H H 1 8.856 0.020 . 1 . . . . A 98 LEU H . 30551 1 1156 . 1 1 99 99 LEU HA H 1 4.273 0.020 . 1 . . . . A 98 LEU HA . 30551 1 1157 . 1 1 99 99 LEU HB2 H 1 1.084 0.020 . 2 . . . . A 98 LEU HB2 . 30551 1 1158 . 1 1 99 99 LEU HB3 H 1 0.848 0.020 . 2 . . . . A 98 LEU HB3 . 30551 1 1159 . 1 1 99 99 LEU HG H 1 1.537 0.020 . 1 . . . . A 98 LEU HG . 30551 1 1160 . 1 1 99 99 LEU HD11 H 1 0.756 0.020 . 2 . . . . A 98 LEU HD11 . 30551 1 1161 . 1 1 99 99 LEU HD12 H 1 0.756 0.020 . 2 . . . . A 98 LEU HD12 . 30551 1 1162 . 1 1 99 99 LEU HD13 H 1 0.756 0.020 . 2 . . . . A 98 LEU HD13 . 30551 1 1163 . 1 1 99 99 LEU HD21 H 1 0.806 0.020 . 2 . . . . A 98 LEU HD21 . 30551 1 1164 . 1 1 99 99 LEU HD22 H 1 0.806 0.020 . 2 . . . . A 98 LEU HD22 . 30551 1 1165 . 1 1 99 99 LEU HD23 H 1 0.806 0.020 . 2 . . . . A 98 LEU HD23 . 30551 1 1166 . 1 1 99 99 LEU CA C 13 55.014 0.400 . 1 . . . . A 98 LEU CA . 30551 1 1167 . 1 1 99 99 LEU CB C 13 42.548 0.400 . 1 . . . . A 98 LEU CB . 30551 1 1168 . 1 1 99 99 LEU CG C 13 27.346 0.400 . 1 . . . . A 98 LEU CG . 30551 1 1169 . 1 1 99 99 LEU CD1 C 13 26.219 0.400 . 2 . . . . A 98 LEU CD1 . 30551 1 1170 . 1 1 99 99 LEU CD2 C 13 22.494 0.400 . 2 . . . . A 98 LEU CD2 . 30551 1 1171 . 1 1 99 99 LEU N N 15 125.376 0.400 . 1 . . . . A 98 LEU N . 30551 1 1172 . 1 1 100 100 TYR H H 1 7.180 0.020 . 1 . . . . A 99 TYR H . 30551 1 1173 . 1 1 100 100 TYR HA H 1 4.531 0.020 . 1 . . . . A 99 TYR HA . 30551 1 1174 . 1 1 100 100 TYR HB2 H 1 2.908 0.020 . 2 . . . . A 99 TYR HB2 . 30551 1 1175 . 1 1 100 100 TYR HB3 H 1 1.286 0.020 . 2 . . . . A 99 TYR HB3 . 30551 1 1176 . 1 1 100 100 TYR HD1 H 1 6.706 0.020 . 1 . . . . A 99 TYR HD1 . 30551 1 1177 . 1 1 100 100 TYR HD2 H 1 6.706 0.020 . 1 . . . . A 99 TYR HD2 . 30551 1 1178 . 1 1 100 100 TYR HE1 H 1 6.829 0.020 . 1 . . . . A 99 TYR HE1 . 30551 1 1179 . 1 1 100 100 TYR HE2 H 1 6.829 0.020 . 1 . . . . A 99 TYR HE2 . 30551 1 1180 . 1 1 100 100 TYR CA C 13 57.165 0.400 . 1 . . . . A 99 TYR CA . 30551 1 1181 . 1 1 100 100 TYR CB C 13 41.051 0.400 . 1 . . . . A 99 TYR CB . 30551 1 1182 . 1 1 100 100 TYR CD1 C 13 132.000 0.400 . 3 . . . . A 99 TYR CD1 . 30551 1 1183 . 1 1 100 100 TYR CE1 C 13 118.004 0.400 . 3 . . . . A 99 TYR CE1 . 30551 1 1184 . 1 1 100 100 TYR N N 15 114.856 0.400 . 1 . . . . A 99 TYR N . 30551 1 1185 . 1 1 101 101 ARG H H 1 7.002 0.020 . 1 . . . . A 100 ARG H . 30551 1 1186 . 1 1 101 101 ARG HA H 1 4.936 0.020 . 1 . . . . A 100 ARG HA . 30551 1 1187 . 1 1 101 101 ARG HB2 H 1 1.538 0.020 . 2 . . . . A 100 ARG HB2 . 30551 1 1188 . 1 1 101 101 ARG HB3 H 1 1.286 0.020 . 2 . . . . A 100 ARG HB3 . 30551 1 1189 . 1 1 101 101 ARG HG2 H 1 1.411 0.020 . 2 . . . . A 100 ARG HG2 . 30551 1 1190 . 1 1 101 101 ARG HG3 H 1 1.360 0.020 . 2 . . . . A 100 ARG HG3 . 30551 1 1191 . 1 1 101 101 ARG HD2 H 1 3.290 0.020 . 2 . . . . A 100 ARG HD2 . 30551 1 1192 . 1 1 101 101 ARG HD3 H 1 2.946 0.020 . 2 . . . . A 100 ARG HD3 . 30551 1 1193 . 1 1 101 101 ARG CA C 13 54.100 0.400 . 1 . . . . A 100 ARG CA . 30551 1 1194 . 1 1 101 101 ARG CB C 13 32.076 0.400 . 1 . . . . A 100 ARG CB . 30551 1 1195 . 1 1 101 101 ARG CG C 13 28.300 0.400 . 1 . . . . A 100 ARG CG . 30551 1 1196 . 1 1 101 101 ARG CD C 13 43.680 0.400 . 1 . . . . A 100 ARG CD . 30551 1 1197 . 1 1 101 101 ARG N N 15 126.889 0.400 . 1 . . . . A 100 ARG N . 30551 1 1198 . 1 1 102 102 GLU H H 1 9.634 0.020 . 1 . . . . A 101 GLU H . 30551 1 1199 . 1 1 102 102 GLU HA H 1 4.387 0.020 . 1 . . . . A 101 GLU HA . 30551 1 1200 . 1 1 102 102 GLU HB2 H 1 2.320 0.020 . 2 . . . . A 101 GLU HB2 . 30551 1 1201 . 1 1 102 102 GLU HB3 H 1 2.320 0.020 . 2 . . . . A 101 GLU HB3 . 30551 1 1202 . 1 1 102 102 GLU HG2 H 1 2.445 0.020 . 2 . . . . A 101 GLU HG2 . 30551 1 1203 . 1 1 102 102 GLU HG3 H 1 2.274 0.020 . 2 . . . . A 101 GLU HG3 . 30551 1 1204 . 1 1 102 102 GLU CA C 13 54.481 0.400 . 1 . . . . A 101 GLU CA . 30551 1 1205 . 1 1 102 102 GLU CB C 13 32.001 0.400 . 1 . . . . A 101 GLU CB . 30551 1 1206 . 1 1 102 102 GLU CG C 13 37.805 0.400 . 1 . . . . A 101 GLU CG . 30551 1 1207 . 1 1 102 102 GLU N N 15 123.177 0.400 . 1 . . . . A 101 GLU N . 30551 1 1208 . 1 1 103 103 LYS H H 1 8.290 0.020 . 1 . . . . A 102 LYS H . 30551 1 1209 . 1 1 103 103 LYS HA H 1 4.794 0.020 . 1 . . . . A 102 LYS HA . 30551 1 1210 . 1 1 103 103 LYS HB2 H 1 2.135 0.020 . 2 . . . . A 102 LYS HB2 . 30551 1 1211 . 1 1 103 103 LYS HB3 H 1 1.619 0.020 . 2 . . . . A 102 LYS HB3 . 30551 1 1212 . 1 1 103 103 LYS HG2 H 1 1.377 0.020 . 2 . . . . A 102 LYS HG2 . 30551 1 1213 . 1 1 103 103 LYS HG3 H 1 1.248 0.020 . 2 . . . . A 102 LYS HG3 . 30551 1 1214 . 1 1 103 103 LYS HD2 H 1 1.607 0.020 . 2 . . . . A 102 LYS HD2 . 30551 1 1215 . 1 1 103 103 LYS HD3 H 1 1.607 0.020 . 2 . . . . A 102 LYS HD3 . 30551 1 1216 . 1 1 103 103 LYS HE2 H 1 2.892 0.020 . 2 . . . . A 102 LYS HE2 . 30551 1 1217 . 1 1 103 103 LYS HE3 H 1 2.892 0.020 . 2 . . . . A 102 LYS HE3 . 30551 1 1218 . 1 1 103 103 LYS CA C 13 55.384 0.400 . 1 . . . . A 102 LYS CA . 30551 1 1219 . 1 1 103 103 LYS CB C 13 33.373 0.400 . 1 . . . . A 102 LYS CB . 30551 1 1220 . 1 1 103 103 LYS CG C 13 24.643 0.400 . 1 . . . . A 102 LYS CG . 30551 1 1221 . 1 1 103 103 LYS CD C 13 28.610 0.400 . 1 . . . . A 102 LYS CD . 30551 1 1222 . 1 1 103 103 LYS CE C 13 41.140 0.400 . 1 . . . . A 102 LYS CE . 30551 1 1223 . 1 1 103 103 LYS N N 15 125.712 0.400 . 1 . . . . A 102 LYS N . 30551 1 1224 . 1 1 104 104 GLY H H 1 10.024 0.020 . 1 . . . . A 103 GLY H . 30551 1 1225 . 1 1 104 104 GLY HA2 H 1 4.554 0.020 . 2 . . . . A 103 GLY HA2 . 30551 1 1226 . 1 1 104 104 GLY HA3 H 1 3.533 0.020 . 2 . . . . A 103 GLY HA3 . 30551 1 1227 . 1 1 104 104 GLY CA C 13 43.559 0.400 . 1 . . . . A 103 GLY CA . 30551 1 1228 . 1 1 104 104 GLY N N 15 113.801 0.400 . 1 . . . . A 103 GLY N . 30551 1 1229 . 1 1 105 105 ILE H H 1 8.094 0.020 . 1 . . . . A 104 ILE H . 30551 1 1230 . 1 1 105 105 ILE HA H 1 3.714 0.020 . 1 . . . . A 104 ILE HA . 30551 1 1231 . 1 1 105 105 ILE HB H 1 1.826 0.020 . 1 . . . . A 104 ILE HB . 30551 1 1232 . 1 1 105 105 ILE HG12 H 1 1.732 0.020 . 2 . . . . A 104 ILE HG12 . 30551 1 1233 . 1 1 105 105 ILE HG13 H 1 1.288 0.020 . 2 . . . . A 104 ILE HG13 . 30551 1 1234 . 1 1 105 105 ILE HG21 H 1 0.838 0.020 . 1 . . . . A 104 ILE HG21 . 30551 1 1235 . 1 1 105 105 ILE HG22 H 1 0.838 0.020 . 1 . . . . A 104 ILE HG22 . 30551 1 1236 . 1 1 105 105 ILE HG23 H 1 0.838 0.020 . 1 . . . . A 104 ILE HG23 . 30551 1 1237 . 1 1 105 105 ILE HD11 H 1 0.961 0.020 . 1 . . . . A 104 ILE HD11 . 30551 1 1238 . 1 1 105 105 ILE HD12 H 1 0.961 0.020 . 1 . . . . A 104 ILE HD12 . 30551 1 1239 . 1 1 105 105 ILE HD13 H 1 0.961 0.020 . 1 . . . . A 104 ILE HD13 . 30551 1 1240 . 1 1 105 105 ILE CA C 13 61.347 0.400 . 1 . . . . A 104 ILE CA . 30551 1 1241 . 1 1 105 105 ILE CB C 13 37.284 0.400 . 1 . . . . A 104 ILE CB . 30551 1 1242 . 1 1 105 105 ILE CG1 C 13 27.570 0.400 . 1 . . . . A 104 ILE CG1 . 30551 1 1243 . 1 1 105 105 ILE CG2 C 13 17.200 0.400 . 1 . . . . A 104 ILE CG2 . 30551 1 1244 . 1 1 105 105 ILE CD1 C 13 12.720 0.400 . 1 . . . . A 104 ILE CD1 . 30551 1 1245 . 1 1 105 105 ILE N N 15 118.306 0.400 . 1 . . . . A 104 ILE N . 30551 1 1246 . 1 1 106 106 ARG H H 1 7.861 0.020 . 1 . . . . A 105 ARG H . 30551 1 1247 . 1 1 106 106 ARG HA H 1 4.804 0.020 . 1 . . . . A 105 ARG HA . 30551 1 1248 . 1 1 106 106 ARG HB2 H 1 1.865 0.020 . 2 . . . . A 105 ARG HB2 . 30551 1 1249 . 1 1 106 106 ARG HB3 H 1 1.615 0.020 . 2 . . . . A 105 ARG HB3 . 30551 1 1250 . 1 1 106 106 ARG HG2 H 1 1.561 0.020 . 2 . . . . A 105 ARG HG2 . 30551 1 1251 . 1 1 106 106 ARG HG3 H 1 1.419 0.020 . 2 . . . . A 105 ARG HG3 . 30551 1 1252 . 1 1 106 106 ARG HD2 H 1 3.308 0.020 . 2 . . . . A 105 ARG HD2 . 30551 1 1253 . 1 1 106 106 ARG HD3 H 1 2.801 0.020 . 2 . . . . A 105 ARG HD3 . 30551 1 1254 . 1 1 106 106 ARG CA C 13 52.213 0.400 . 1 . . . . A 105 ARG CA . 30551 1 1255 . 1 1 106 106 ARG CB C 13 34.081 0.400 . 1 . . . . A 105 ARG CB . 30551 1 1256 . 1 1 106 106 ARG CG C 13 26.114 0.400 . 1 . . . . A 105 ARG CG . 30551 1 1257 . 1 1 106 106 ARG CD C 13 43.410 0.400 . 1 . . . . A 105 ARG CD . 30551 1 1258 . 1 1 106 106 ARG N N 15 127.102 0.400 . 1 . . . . A 105 ARG N . 30551 1 1259 . 1 1 107 107 THR H H 1 8.660 0.020 . 1 . . . . A 106 THR H . 30551 1 1260 . 1 1 107 107 THR HA H 1 4.392 0.020 . 1 . . . . A 106 THR HA . 30551 1 1261 . 1 1 107 107 THR HB H 1 4.666 0.020 . 1 . . . . A 106 THR HB . 30551 1 1262 . 1 1 107 107 THR HG21 H 1 1.284 0.020 . 1 . . . . A 106 THR HG21 . 30551 1 1263 . 1 1 107 107 THR HG22 H 1 1.284 0.020 . 1 . . . . A 106 THR HG22 . 30551 1 1264 . 1 1 107 107 THR HG23 H 1 1.284 0.020 . 1 . . . . A 106 THR HG23 . 30551 1 1265 . 1 1 107 107 THR CA C 13 60.298 0.400 . 1 . . . . A 106 THR CA . 30551 1 1266 . 1 1 107 107 THR CB C 13 71.457 0.400 . 1 . . . . A 106 THR CB . 30551 1 1267 . 1 1 107 107 THR CG2 C 13 21.865 0.400 . 1 . . . . A 106 THR CG2 . 30551 1 1268 . 1 1 107 107 THR N N 15 110.322 0.400 . 1 . . . . A 106 THR N . 30551 1 1269 . 1 1 108 108 ALA H H 1 9.473 0.020 . 1 . . . . A 107 ALA H . 30551 1 1270 . 1 1 108 108 ALA HA H 1 4.057 0.020 . 1 . . . . A 107 ALA HA . 30551 1 1271 . 1 1 108 108 ALA HB1 H 1 1.525 0.020 . 1 . . . . A 107 ALA HB1 . 30551 1 1272 . 1 1 108 108 ALA HB2 H 1 1.525 0.020 . 1 . . . . A 107 ALA HB2 . 30551 1 1273 . 1 1 108 108 ALA HB3 H 1 1.525 0.020 . 1 . . . . A 107 ALA HB3 . 30551 1 1274 . 1 1 108 108 ALA CA C 13 55.269 0.400 . 1 . . . . A 107 ALA CA . 30551 1 1275 . 1 1 108 108 ALA CB C 13 19.534 0.400 . 1 . . . . A 107 ALA CB . 30551 1 1276 . 1 1 108 108 ALA N N 15 123.920 0.400 . 1 . . . . A 107 ALA N . 30551 1 1277 . 1 1 109 109 ASP H H 1 8.403 0.020 . 1 . . . . A 108 ASP H . 30551 1 1278 . 1 1 109 109 ASP HA H 1 4.287 0.020 . 1 . . . . A 108 ASP HA . 30551 1 1279 . 1 1 109 109 ASP HB2 H 1 2.664 0.020 . 2 . . . . A 108 ASP HB2 . 30551 1 1280 . 1 1 109 109 ASP HB3 H 1 2.500 0.020 . 2 . . . . A 108 ASP HB3 . 30551 1 1281 . 1 1 109 109 ASP CA C 13 57.596 0.400 . 1 . . . . A 108 ASP CA . 30551 1 1282 . 1 1 109 109 ASP CB C 13 41.526 0.400 . 1 . . . . A 108 ASP CB . 30551 1 1283 . 1 1 109 109 ASP N N 15 116.910 0.400 . 1 . . . . A 108 ASP N . 30551 1 1284 . 1 1 110 110 GLU H H 1 7.729 0.020 . 1 . . . . A 109 GLU H . 30551 1 1285 . 1 1 110 110 GLU HA H 1 3.834 0.020 . 1 . . . . A 109 GLU HA . 30551 1 1286 . 1 1 110 110 GLU HB2 H 1 1.945 0.020 . 2 . . . . A 109 GLU HB2 . 30551 1 1287 . 1 1 110 110 GLU HB3 H 1 2.457 0.020 . 2 . . . . A 109 GLU HB3 . 30551 1 1288 . 1 1 110 110 GLU HG2 H 1 2.447 0.020 . 2 . . . . A 109 GLU HG2 . 30551 1 1289 . 1 1 110 110 GLU HG3 H 1 2.251 0.020 . 2 . . . . A 109 GLU HG3 . 30551 1 1290 . 1 1 110 110 GLU CA C 13 59.606 0.400 . 1 . . . . A 109 GLU CA . 30551 1 1291 . 1 1 110 110 GLU CB C 13 30.813 0.400 . 1 . . . . A 109 GLU CB . 30551 1 1292 . 1 1 110 110 GLU CG C 13 37.448 0.400 . 1 . . . . A 109 GLU CG . 30551 1 1293 . 1 1 110 110 GLU N N 15 119.603 0.400 . 1 . . . . A 109 GLU N . 30551 1 1294 . 1 1 111 111 LEU H H 1 9.064 0.020 . 1 . . . . A 110 LEU H . 30551 1 1295 . 1 1 111 111 LEU HA H 1 4.045 0.020 . 1 . . . . A 110 LEU HA . 30551 1 1296 . 1 1 111 111 LEU HB2 H 1 2.025 0.020 . 2 . . . . A 110 LEU HB2 . 30551 1 1297 . 1 1 111 111 LEU HB3 H 1 1.211 0.020 . 2 . . . . A 110 LEU HB3 . 30551 1 1298 . 1 1 111 111 LEU HG H 1 1.692 0.020 . 1 . . . . A 110 LEU HG . 30551 1 1299 . 1 1 111 111 LEU HD11 H 1 0.926 0.020 . 2 . . . . A 110 LEU HD11 . 30551 1 1300 . 1 1 111 111 LEU HD12 H 1 0.926 0.020 . 2 . . . . A 110 LEU HD12 . 30551 1 1301 . 1 1 111 111 LEU HD13 H 1 0.926 0.020 . 2 . . . . A 110 LEU HD13 . 30551 1 1302 . 1 1 111 111 LEU HD21 H 1 0.673 0.020 . 2 . . . . A 110 LEU HD21 . 30551 1 1303 . 1 1 111 111 LEU HD22 H 1 0.673 0.020 . 2 . . . . A 110 LEU HD22 . 30551 1 1304 . 1 1 111 111 LEU HD23 H 1 0.673 0.020 . 2 . . . . A 110 LEU HD23 . 30551 1 1305 . 1 1 111 111 LEU CA C 13 58.111 0.400 . 1 . . . . A 110 LEU CA . 30551 1 1306 . 1 1 111 111 LEU CB C 13 42.324 0.400 . 1 . . . . A 110 LEU CB . 30551 1 1307 . 1 1 111 111 LEU CG C 13 26.662 0.400 . 1 . . . . A 110 LEU CG . 30551 1 1308 . 1 1 111 111 LEU CD1 C 13 22.350 0.400 . 2 . . . . A 110 LEU CD1 . 30551 1 1309 . 1 1 111 111 LEU CD2 C 13 24.611 0.400 . 2 . . . . A 110 LEU CD2 . 30551 1 1310 . 1 1 111 111 LEU N N 15 117.584 0.400 . 1 . . . . A 110 LEU N . 30551 1 1311 . 1 1 112 112 SER H H 1 8.856 0.020 . 1 . . . . A 111 SER H . 30551 1 1312 . 1 1 112 112 SER HA H 1 4.405 0.020 . 1 . . . . A 111 SER HA . 30551 1 1313 . 1 1 112 112 SER HB2 H 1 4.149 0.020 . 2 . . . . A 111 SER HB2 . 30551 1 1314 . 1 1 112 112 SER HB3 H 1 3.947 0.020 . 2 . . . . A 111 SER HB3 . 30551 1 1315 . 1 1 112 112 SER CA C 13 62.127 0.400 . 1 . . . . A 111 SER CA . 30551 1 1316 . 1 1 112 112 SER CB C 13 62.269 0.400 . 1 . . . . A 111 SER CB . 30551 1 1317 . 1 1 112 112 SER N N 15 116.021 0.400 . 1 . . . . A 111 SER N . 30551 1 1318 . 1 1 113 113 LYS H H 1 7.603 0.020 . 1 . . . . A 112 LYS H . 30551 1 1319 . 1 1 113 113 LYS HA H 1 4.062 0.020 . 1 . . . . A 112 LYS HA . 30551 1 1320 . 1 1 113 113 LYS HB2 H 1 1.921 0.020 . 2 . . . . A 112 LYS HB2 . 30551 1 1321 . 1 1 113 113 LYS HB3 H 1 1.799 0.020 . 2 . . . . A 112 LYS HB3 . 30551 1 1322 . 1 1 113 113 LYS HG2 H 1 1.705 0.020 . 2 . . . . A 112 LYS HG2 . 30551 1 1323 . 1 1 113 113 LYS HG3 H 1 1.427 0.020 . 2 . . . . A 112 LYS HG3 . 30551 1 1324 . 1 1 113 113 LYS HD2 H 1 1.581 0.020 . 2 . . . . A 112 LYS HD2 . 30551 1 1325 . 1 1 113 113 LYS HD3 H 1 1.581 0.020 . 2 . . . . A 112 LYS HD3 . 30551 1 1326 . 1 1 113 113 LYS HE2 H 1 2.935 0.020 . 2 . . . . A 112 LYS HE2 . 30551 1 1327 . 1 1 113 113 LYS HE3 H 1 2.935 0.020 . 2 . . . . A 112 LYS HE3 . 30551 1 1328 . 1 1 113 113 LYS CA C 13 59.335 0.400 . 1 . . . . A 112 LYS CA . 30551 1 1329 . 1 1 113 113 LYS CB C 13 32.515 0.400 . 1 . . . . A 112 LYS CB . 30551 1 1330 . 1 1 113 113 LYS CG C 13 25.942 0.400 . 1 . . . . A 112 LYS CG . 30551 1 1331 . 1 1 113 113 LYS CD C 13 28.636 0.400 . 1 . . . . A 112 LYS CD . 30551 1 1332 . 1 1 113 113 LYS CE C 13 42.070 0.400 . 1 . . . . A 112 LYS CE . 30551 1 1333 . 1 1 113 113 LYS N N 15 123.966 0.400 . 1 . . . . A 112 LYS N . 30551 1 1334 . 1 1 114 114 ILE H H 1 8.583 0.020 . 1 . . . . A 113 ILE H . 30551 1 1335 . 1 1 114 114 ILE HA H 1 3.310 0.020 . 1 . . . . A 113 ILE HA . 30551 1 1336 . 1 1 114 114 ILE HB H 1 2.044 0.020 . 1 . . . . A 113 ILE HB . 30551 1 1337 . 1 1 114 114 ILE HG12 H 1 1.815 0.020 . 2 . . . . A 113 ILE HG12 . 30551 1 1338 . 1 1 114 114 ILE HG13 H 1 0.419 0.020 . 2 . . . . A 113 ILE HG13 . 30551 1 1339 . 1 1 114 114 ILE HG21 H 1 0.562 0.020 . 1 . . . . A 113 ILE HG21 . 30551 1 1340 . 1 1 114 114 ILE HG22 H 1 0.562 0.020 . 1 . . . . A 113 ILE HG22 . 30551 1 1341 . 1 1 114 114 ILE HG23 H 1 0.562 0.020 . 1 . . . . A 113 ILE HG23 . 30551 1 1342 . 1 1 114 114 ILE HD11 H 1 0.814 0.020 . 1 . . . . A 113 ILE HD11 . 30551 1 1343 . 1 1 114 114 ILE HD12 H 1 0.814 0.020 . 1 . . . . A 113 ILE HD12 . 30551 1 1344 . 1 1 114 114 ILE HD13 H 1 0.814 0.020 . 1 . . . . A 113 ILE HD13 . 30551 1 1345 . 1 1 114 114 ILE CA C 13 66.447 0.400 . 1 . . . . A 113 ILE CA . 30551 1 1346 . 1 1 114 114 ILE CB C 13 38.317 0.400 . 1 . . . . A 113 ILE CB . 30551 1 1347 . 1 1 114 114 ILE CG1 C 13 29.091 0.400 . 1 . . . . A 113 ILE CG1 . 30551 1 1348 . 1 1 114 114 ILE CG2 C 13 18.286 0.400 . 1 . . . . A 113 ILE CG2 . 30551 1 1349 . 1 1 114 114 ILE CD1 C 13 13.525 0.400 . 1 . . . . A 113 ILE CD1 . 30551 1 1350 . 1 1 114 114 ILE N N 15 123.492 0.400 . 1 . . . . A 113 ILE N . 30551 1 1351 . 1 1 115 115 MET H H 1 8.754 0.020 . 1 . . . . A 114 MET H . 30551 1 1352 . 1 1 115 115 MET HA H 1 3.956 0.020 . 1 . . . . A 114 MET HA . 30551 1 1353 . 1 1 115 115 MET HB2 H 1 2.735 0.020 . 2 . . . . A 114 MET HB2 . 30551 1 1354 . 1 1 115 115 MET HB3 H 1 2.170 0.020 . 2 . . . . A 114 MET HB3 . 30551 1 1355 . 1 1 115 115 MET HG2 H 1 3.246 0.020 . 2 . . . . A 114 MET HG2 . 30551 1 1356 . 1 1 115 115 MET HG3 H 1 3.031 0.020 . 2 . . . . A 114 MET HG3 . 30551 1 1357 . 1 1 115 115 MET HE1 H 1 2.027 0.020 . 1 . . . . A 114 MET HE1 . 30551 1 1358 . 1 1 115 115 MET HE2 H 1 2.027 0.020 . 1 . . . . A 114 MET HE2 . 30551 1 1359 . 1 1 115 115 MET HE3 H 1 2.027 0.020 . 1 . . . . A 114 MET HE3 . 30551 1 1360 . 1 1 115 115 MET CA C 13 60.115 0.400 . 1 . . . . A 114 MET CA . 30551 1 1361 . 1 1 115 115 MET CB C 13 34.764 0.400 . 1 . . . . A 114 MET CB . 30551 1 1362 . 1 1 115 115 MET CG C 13 33.861 0.400 . 1 . . . . A 114 MET CG . 30551 1 1363 . 1 1 115 115 MET CE C 13 18.402 0.400 . 1 . . . . A 114 MET CE . 30551 1 1364 . 1 1 115 115 MET N N 15 117.601 0.400 . 1 . . . . A 114 MET N . 30551 1 1365 . 1 1 116 116 ALA H H 1 8.451 0.020 . 1 . . . . A 115 ALA H . 30551 1 1366 . 1 1 116 116 ALA HA H 1 4.414 0.020 . 1 . . . . A 115 ALA HA . 30551 1 1367 . 1 1 116 116 ALA HB1 H 1 1.571 0.020 . 1 . . . . A 115 ALA HB1 . 30551 1 1368 . 1 1 116 116 ALA HB2 H 1 1.571 0.020 . 1 . . . . A 115 ALA HB2 . 30551 1 1369 . 1 1 116 116 ALA HB3 H 1 1.571 0.020 . 1 . . . . A 115 ALA HB3 . 30551 1 1370 . 1 1 116 116 ALA CA C 13 55.108 0.400 . 1 . . . . A 115 ALA CA . 30551 1 1371 . 1 1 116 116 ALA CB C 13 17.308 0.400 . 1 . . . . A 115 ALA CB . 30551 1 1372 . 1 1 116 116 ALA N N 15 119.885 0.400 . 1 . . . . A 115 ALA N . 30551 1 1373 . 1 1 117 117 PHE H H 1 7.793 0.020 . 1 . . . . A 116 PHE H . 30551 1 1374 . 1 1 117 117 PHE HA H 1 4.263 0.020 . 1 . . . . A 116 PHE HA . 30551 1 1375 . 1 1 117 117 PHE HB2 H 1 3.048 0.020 . 2 . . . . A 116 PHE HB2 . 30551 1 1376 . 1 1 117 117 PHE HB3 H 1 2.560 0.020 . 2 . . . . A 116 PHE HB3 . 30551 1 1377 . 1 1 117 117 PHE HD1 H 1 6.830 0.020 . 1 . . . . A 116 PHE HD1 . 30551 1 1378 . 1 1 117 117 PHE HD2 H 1 6.830 0.020 . 1 . . . . A 116 PHE HD2 . 30551 1 1379 . 1 1 117 117 PHE HE1 H 1 6.717 0.020 . 1 . . . . A 116 PHE HE1 . 30551 1 1380 . 1 1 117 117 PHE HE2 H 1 6.717 0.020 . 1 . . . . A 116 PHE HE2 . 30551 1 1381 . 1 1 117 117 PHE HZ H 1 7.061 0.020 . 1 . . . . A 116 PHE HZ . 30551 1 1382 . 1 1 117 117 PHE CA C 13 59.118 0.400 . 1 . . . . A 116 PHE CA . 30551 1 1383 . 1 1 117 117 PHE CB C 13 38.692 0.400 . 1 . . . . A 116 PHE CB . 30551 1 1384 . 1 1 117 117 PHE CZ C 13 129.475 0.400 . 1 . . . . A 116 PHE CZ . 30551 1 1385 . 1 1 117 117 PHE N N 15 119.916 0.400 . 1 . . . . A 116 PHE N . 30551 1 1386 . 1 1 118 118 PHE H H 1 7.730 0.020 . 1 . . . . A 117 PHE H . 30551 1 1387 . 1 1 118 118 PHE HA H 1 3.676 0.020 . 1 . . . . A 117 PHE HA . 30551 1 1388 . 1 1 118 118 PHE HB2 H 1 2.267 0.020 . 2 . . . . A 117 PHE HB2 . 30551 1 1389 . 1 1 118 118 PHE HB3 H 1 1.791 0.020 . 2 . . . . A 117 PHE HB3 . 30551 1 1390 . 1 1 118 118 PHE HD1 H 1 6.722 0.020 . 1 . . . . A 117 PHE HD1 . 30551 1 1391 . 1 1 118 118 PHE HD2 H 1 6.722 0.020 . 1 . . . . A 117 PHE HD2 . 30551 1 1392 . 1 1 118 118 PHE HE1 H 1 6.810 0.020 . 1 . . . . A 117 PHE HE1 . 30551 1 1393 . 1 1 118 118 PHE HE2 H 1 6.810 0.020 . 1 . . . . A 117 PHE HE2 . 30551 1 1394 . 1 1 118 118 PHE HZ H 1 7.249 0.020 . 1 . . . . A 117 PHE HZ . 30551 1 1395 . 1 1 118 118 PHE CA C 13 61.611 0.400 . 1 . . . . A 117 PHE CA . 30551 1 1396 . 1 1 118 118 PHE CB C 13 38.182 0.400 . 1 . . . . A 117 PHE CB . 30551 1 1397 . 1 1 118 118 PHE CD1 C 13 130.532 0.400 . 3 . . . . A 117 PHE CD1 . 30551 1 1398 . 1 1 118 118 PHE CZ C 13 132.316 0.400 . 1 . . . . A 117 PHE CZ . 30551 1 1399 . 1 1 118 118 PHE N N 15 115.403 0.400 . 1 . . . . A 117 PHE N . 30551 1 1400 . 1 1 119 119 TYR H H 1 8.277 0.020 . 1 . . . . A 118 TYR H . 30551 1 1401 . 1 1 119 119 TYR HA H 1 4.898 0.020 . 1 . . . . A 118 TYR HA . 30551 1 1402 . 1 1 119 119 TYR HB2 H 1 2.287 0.020 . 2 . . . . A 118 TYR HB2 . 30551 1 1403 . 1 1 119 119 TYR HB3 H 1 2.146 0.020 . 2 . . . . A 118 TYR HB3 . 30551 1 1404 . 1 1 119 119 TYR HD1 H 1 6.948 0.020 . 1 . . . . A 118 TYR HD1 . 30551 1 1405 . 1 1 119 119 TYR HD2 H 1 6.948 0.020 . 1 . . . . A 118 TYR HD2 . 30551 1 1406 . 1 1 119 119 TYR HE1 H 1 6.807 0.020 . 1 . . . . A 118 TYR HE1 . 30551 1 1407 . 1 1 119 119 TYR HE2 H 1 6.807 0.020 . 1 . . . . A 118 TYR HE2 . 30551 1 1408 . 1 1 119 119 TYR CA C 13 55.731 0.400 . 1 . . . . A 118 TYR CA . 30551 1 1409 . 1 1 119 119 TYR CB C 13 37.893 0.400 . 1 . . . . A 118 TYR CB . 30551 1 1410 . 1 1 119 119 TYR CD1 C 13 131.598 0.400 . 3 . . . . A 118 TYR CD1 . 30551 1 1411 . 1 1 119 119 TYR CE1 C 13 117.862 0.400 . 3 . . . . A 118 TYR CE1 . 30551 1 1412 . 1 1 119 119 TYR N N 15 112.418 0.400 . 1 . . . . A 118 TYR N . 30551 1 1413 . 1 1 120 120 TYR H H 1 7.424 0.020 . 1 . . . . A 119 TYR H . 30551 1 1414 . 1 1 120 120 TYR HA H 1 5.244 0.020 . 1 . . . . A 119 TYR HA . 30551 1 1415 . 1 1 120 120 TYR HB2 H 1 3.684 0.020 . 2 . . . . A 119 TYR HB2 . 30551 1 1416 . 1 1 120 120 TYR HB3 H 1 2.787 0.020 . 2 . . . . A 119 TYR HB3 . 30551 1 1417 . 1 1 120 120 TYR HD1 H 1 7.117 0.020 . 1 . . . . A 119 TYR HD1 . 30551 1 1418 . 1 1 120 120 TYR HD2 H 1 7.117 0.020 . 1 . . . . A 119 TYR HD2 . 30551 1 1419 . 1 1 120 120 TYR HE1 H 1 6.682 0.020 . 1 . . . . A 119 TYR HE1 . 30551 1 1420 . 1 1 120 120 TYR HE2 H 1 6.682 0.020 . 1 . . . . A 119 TYR HE2 . 30551 1 1421 . 1 1 120 120 TYR CA C 13 55.776 0.400 . 1 . . . . A 119 TYR CA . 30551 1 1422 . 1 1 120 120 TYR CB C 13 38.963 0.400 . 1 . . . . A 119 TYR CB . 30551 1 1423 . 1 1 120 120 TYR CD1 C 13 133.270 0.400 . 3 . . . . A 119 TYR CD1 . 30551 1 1424 . 1 1 120 120 TYR CE1 C 13 118.586 0.400 . 3 . . . . A 119 TYR CE1 . 30551 1 1425 . 1 1 120 120 TYR N N 15 115.833 0.400 . 1 . . . . A 119 TYR N . 30551 1 1426 . 1 1 121 121 GLY H H 1 8.225 0.020 . 1 . . . . A 120 GLY H . 30551 1 1427 . 1 1 121 121 GLY HA2 H 1 3.876 0.020 . 2 . . . . A 120 GLY HA2 . 30551 1 1428 . 1 1 121 121 GLY HA3 H 1 3.876 0.020 . 2 . . . . A 120 GLY HA3 . 30551 1 1429 . 1 1 121 121 GLY CA C 13 46.425 0.400 . 1 . . . . A 120 GLY CA . 30551 1 1430 . 1 1 121 121 GLY N N 15 109.099 0.400 . 1 . . . . A 120 GLY N . 30551 1 1431 . 1 1 122 122 ALA H H 1 7.480 0.020 . 1 . . . . A 121 ALA H . 30551 1 1432 . 1 1 122 122 ALA HA H 1 4.388 0.020 . 1 . . . . A 121 ALA HA . 30551 1 1433 . 1 1 122 122 ALA HB1 H 1 1.344 0.020 . 1 . . . . A 121 ALA HB1 . 30551 1 1434 . 1 1 122 122 ALA HB2 H 1 1.344 0.020 . 1 . . . . A 121 ALA HB2 . 30551 1 1435 . 1 1 122 122 ALA HB3 H 1 1.344 0.020 . 1 . . . . A 121 ALA HB3 . 30551 1 1436 . 1 1 122 122 ALA CA C 13 51.035 0.400 . 1 . . . . A 121 ALA CA . 30551 1 1437 . 1 1 122 122 ALA CB C 13 21.101 0.400 . 1 . . . . A 121 ALA CB . 30551 1 1438 . 1 1 122 122 ALA N N 15 121.791 0.400 . 1 . . . . A 121 ALA N . 30551 1 1439 . 1 1 123 123 ALA H H 1 8.037 0.020 . 1 . . . . A 122 ALA H . 30551 1 1440 . 1 1 123 123 ALA HA H 1 4.164 0.020 . 1 . . . . A 122 ALA HA . 30551 1 1441 . 1 1 123 123 ALA HB1 H 1 1.288 0.020 . 1 . . . . A 122 ALA HB1 . 30551 1 1442 . 1 1 123 123 ALA HB2 H 1 1.288 0.020 . 1 . . . . A 122 ALA HB2 . 30551 1 1443 . 1 1 123 123 ALA HB3 H 1 1.288 0.020 . 1 . . . . A 122 ALA HB3 . 30551 1 1444 . 1 1 123 123 ALA CA C 13 51.512 0.400 . 1 . . . . A 122 ALA CA . 30551 1 1445 . 1 1 123 123 ALA CB C 13 18.862 0.400 . 1 . . . . A 122 ALA CB . 30551 1 1446 . 1 1 123 123 ALA N N 15 119.891 0.400 . 1 . . . . A 122 ALA N . 30551 1 1447 . 1 1 124 124 LYS H H 1 8.352 0.020 . 1 . . . . A 123 LYS H . 30551 1 1448 . 1 1 124 124 LYS HA H 1 3.192 0.020 . 1 . . . . A 123 LYS HA . 30551 1 1449 . 1 1 124 124 LYS HB2 H 1 1.366 0.020 . 2 . . . . A 123 LYS HB2 . 30551 1 1450 . 1 1 124 124 LYS HB3 H 1 1.071 0.020 . 2 . . . . A 123 LYS HB3 . 30551 1 1451 . 1 1 124 124 LYS HG2 H 1 0.780 0.020 . 2 . . . . A 123 LYS HG2 . 30551 1 1452 . 1 1 124 124 LYS HG3 H 1 0.780 0.020 . 2 . . . . A 123 LYS HG3 . 30551 1 1453 . 1 1 124 124 LYS HD2 H 1 1.253 0.020 . 2 . . . . A 123 LYS HD2 . 30551 1 1454 . 1 1 124 124 LYS HD3 H 1 1.253 0.020 . 2 . . . . A 123 LYS HD3 . 30551 1 1455 . 1 1 124 124 LYS HE2 H 1 2.572 0.020 . 2 . . . . A 123 LYS HE2 . 30551 1 1456 . 1 1 124 124 LYS HE3 H 1 2.572 0.020 . 2 . . . . A 123 LYS HE3 . 30551 1 1457 . 1 1 124 124 LYS CA C 13 53.963 0.400 . 1 . . . . A 123 LYS CA . 30551 1 1458 . 1 1 124 124 LYS CB C 13 32.401 0.400 . 1 . . . . A 123 LYS CB . 30551 1 1459 . 1 1 124 124 LYS CG C 13 23.812 0.400 . 1 . . . . A 123 LYS CG . 30551 1 1460 . 1 1 124 124 LYS CD C 13 28.562 0.400 . 1 . . . . A 123 LYS CD . 30551 1 1461 . 1 1 124 124 LYS CE C 13 41.249 0.400 . 1 . . . . A 123 LYS CE . 30551 1 1462 . 1 1 124 124 LYS N N 15 123.010 0.400 . 1 . . . . A 123 LYS N . 30551 1 1463 . 1 1 125 125 PRO HA H 1 4.785 0.020 . 1 . . . . A 124 PRO HA . 30551 1 1464 . 1 1 125 125 PRO HB2 H 1 2.142 0.020 . 2 . . . . A 124 PRO HB2 . 30551 1 1465 . 1 1 125 125 PRO HB3 H 1 2.142 0.020 . 2 . . . . A 124 PRO HB3 . 30551 1 1466 . 1 1 125 125 PRO HG2 H 1 1.994 0.020 . 2 . . . . A 124 PRO HG2 . 30551 1 1467 . 1 1 125 125 PRO HG3 H 1 1.994 0.020 . 2 . . . . A 124 PRO HG3 . 30551 1 1468 . 1 1 125 125 PRO HD2 H 1 2.910 0.020 . 2 . . . . A 124 PRO HD2 . 30551 1 1469 . 1 1 125 125 PRO HD3 H 1 3.558 0.020 . 2 . . . . A 124 PRO HD3 . 30551 1 1470 . 1 1 125 125 PRO CA C 13 60.393 0.400 . 1 . . . . A 124 PRO CA . 30551 1 1471 . 1 1 125 125 PRO CB C 13 30.474 0.400 . 1 . . . . A 124 PRO CB . 30551 1 1472 . 1 1 125 125 PRO CG C 13 27.150 0.400 . 1 . . . . A 124 PRO CG . 30551 1 1473 . 1 1 125 125 PRO CD C 13 49.650 0.400 . 1 . . . . A 124 PRO CD . 30551 1 1474 . 1 1 126 126 PRO HA H 1 4.178 0.020 . 1 . . . . A 125 PRO HA . 30551 1 1475 . 1 1 126 126 PRO HB2 H 1 2.267 0.020 . 2 . . . . A 125 PRO HB2 . 30551 1 1476 . 1 1 126 126 PRO HB3 H 1 1.929 0.020 . 2 . . . . A 125 PRO HB3 . 30551 1 1477 . 1 1 126 126 PRO HG2 H 1 2.015 0.020 . 2 . . . . A 125 PRO HG2 . 30551 1 1478 . 1 1 126 126 PRO HG3 H 1 2.015 0.020 . 2 . . . . A 125 PRO HG3 . 30551 1 1479 . 1 1 126 126 PRO HD2 H 1 3.728 0.020 . 2 . . . . A 125 PRO HD2 . 30551 1 1480 . 1 1 126 126 PRO HD3 H 1 3.728 0.020 . 2 . . . . A 125 PRO HD3 . 30551 1 1481 . 1 1 126 126 PRO CA C 13 64.220 0.400 . 1 . . . . A 125 PRO CA . 30551 1 1482 . 1 1 126 126 PRO CB C 13 31.148 0.400 . 1 . . . . A 125 PRO CB . 30551 1 1483 . 1 1 126 126 PRO CG C 13 27.150 0.400 . 1 . . . . A 125 PRO CG . 30551 1 1484 . 1 1 126 126 PRO CD C 13 50.618 0.400 . 1 . . . . A 125 PRO CD . 30551 1 1485 . 1 1 127 127 CYS HA H 1 4.464 0.020 . 1 . . . . A 126 CYS HA . 30551 1 1486 . 1 1 127 127 CYS HB2 H 1 3.097 0.020 . 2 . . . . A 126 CYS HB2 . 30551 1 1487 . 1 1 127 127 CYS HB3 H 1 2.977 0.020 . 2 . . . . A 126 CYS HB3 . 30551 1 1488 . 1 1 127 127 CYS CA C 13 58.209 0.400 . 1 . . . . A 126 CYS CA . 30551 1 1489 . 1 1 127 127 CYS CB C 13 26.118 0.400 . 1 . . . . A 126 CYS CB . 30551 1 1490 . 1 1 128 128 LEU H H 1 7.442 0.020 . 1 . . . . A 127 LEU H . 30551 1 1491 . 1 1 128 128 LEU HA H 1 4.455 0.020 . 1 . . . . A 127 LEU HA . 30551 1 1492 . 1 1 128 128 LEU HB2 H 1 1.400 0.020 . 2 . . . . A 127 LEU HB2 . 30551 1 1493 . 1 1 128 128 LEU HB3 H 1 1.072 0.020 . 2 . . . . A 127 LEU HB3 . 30551 1 1494 . 1 1 128 128 LEU HG H 1 1.242 0.020 . 1 . . . . A 127 LEU HG . 30551 1 1495 . 1 1 128 128 LEU HD11 H 1 0.312 0.020 . 2 . . . . A 127 LEU HD11 . 30551 1 1496 . 1 1 128 128 LEU HD12 H 1 0.312 0.020 . 2 . . . . A 127 LEU HD12 . 30551 1 1497 . 1 1 128 128 LEU HD13 H 1 0.312 0.020 . 2 . . . . A 127 LEU HD13 . 30551 1 1498 . 1 1 128 128 LEU HD21 H 1 0.391 0.020 . 2 . . . . A 127 LEU HD21 . 30551 1 1499 . 1 1 128 128 LEU HD22 H 1 0.391 0.020 . 2 . . . . A 127 LEU HD22 . 30551 1 1500 . 1 1 128 128 LEU HD23 H 1 0.391 0.020 . 2 . . . . A 127 LEU HD23 . 30551 1 1501 . 1 1 128 128 LEU CA C 13 53.092 0.400 . 1 . . . . A 127 LEU CA . 30551 1 1502 . 1 1 128 128 LEU CB C 13 41.495 0.400 . 1 . . . . A 127 LEU CB . 30551 1 1503 . 1 1 128 128 LEU CG C 13 26.415 0.400 . 1 . . . . A 127 LEU CG . 30551 1 1504 . 1 1 128 128 LEU CD1 C 13 26.363 0.400 . 2 . . . . A 127 LEU CD1 . 30551 1 1505 . 1 1 128 128 LEU CD2 C 13 22.553 0.400 . 2 . . . . A 127 LEU CD2 . 30551 1 1506 . 1 1 128 128 LEU N N 15 120.783 0.400 . 1 . . . . A 127 LEU N . 30551 1 1507 . 1 1 129 129 ASN H H 1 7.825 0.020 . 1 . . . . A 128 ASN H . 30551 1 1508 . 1 1 129 129 ASN HA H 1 4.364 0.020 . 1 . . . . A 128 ASN HA . 30551 1 1509 . 1 1 129 129 ASN HB2 H 1 2.827 0.020 . 2 . . . . A 128 ASN HB2 . 30551 1 1510 . 1 1 129 129 ASN HB3 H 1 2.738 0.020 . 2 . . . . A 128 ASN HB3 . 30551 1 1511 . 1 1 129 129 ASN CA C 13 54.497 0.400 . 1 . . . . A 128 ASN CA . 30551 1 1512 . 1 1 129 129 ASN CB C 13 37.814 0.400 . 1 . . . . A 128 ASN CB . 30551 1 1513 . 1 1 129 129 ASN N N 15 121.497 0.400 . 1 . . . . A 128 ASN N . 30551 1 1514 . 1 1 130 130 GLY HA2 H 1 4.029 0.020 . 2 . . . . A 129 GLY HA2 . 30551 1 1515 . 1 1 130 130 GLY HA3 H 1 3.804 0.020 . 2 . . . . A 129 GLY HA3 . 30551 1 1516 . 1 1 130 130 GLY CA C 13 45.001 0.400 . 1 . . . . A 129 GLY CA . 30551 1 1517 . 1 1 131 131 VAL H H 1 7.589 0.020 . 1 . . . . A 130 VAL H . 30551 1 1518 . 1 1 131 131 VAL HA H 1 4.157 0.020 . 1 . . . . A 130 VAL HA . 30551 1 1519 . 1 1 131 131 VAL HB H 1 2.153 0.020 . 1 . . . . A 130 VAL HB . 30551 1 1520 . 1 1 131 131 VAL HG11 H 1 0.978 0.020 . 2 . . . . A 130 VAL HG11 . 30551 1 1521 . 1 1 131 131 VAL HG12 H 1 0.978 0.020 . 2 . . . . A 130 VAL HG12 . 30551 1 1522 . 1 1 131 131 VAL HG13 H 1 0.978 0.020 . 2 . . . . A 130 VAL HG13 . 30551 1 1523 . 1 1 131 131 VAL HG21 H 1 1.044 0.020 . 2 . . . . A 130 VAL HG21 . 30551 1 1524 . 1 1 131 131 VAL HG22 H 1 1.044 0.020 . 2 . . . . A 130 VAL HG22 . 30551 1 1525 . 1 1 131 131 VAL HG23 H 1 1.044 0.020 . 2 . . . . A 130 VAL HG23 . 30551 1 1526 . 1 1 131 131 VAL CA C 13 62.087 0.400 . 1 . . . . A 130 VAL CA . 30551 1 1527 . 1 1 131 131 VAL CB C 13 32.073 0.400 . 1 . . . . A 130 VAL CB . 30551 1 1528 . 1 1 131 131 VAL CG1 C 13 21.061 0.400 . 2 . . . . A 130 VAL CG1 . 30551 1 1529 . 1 1 131 131 VAL CG2 C 13 21.054 0.400 . 2 . . . . A 130 VAL CG2 . 30551 1 1530 . 1 1 131 131 VAL N N 15 119.708 0.400 . 1 . . . . A 130 VAL N . 30551 1 1531 . 1 1 132 132 VAL H H 1 8.434 0.020 . 1 . . . . A 131 VAL H . 30551 1 1532 . 1 1 132 132 VAL HA H 1 4.296 0.020 . 1 . . . . A 131 VAL HA . 30551 1 1533 . 1 1 132 132 VAL HB H 1 2.147 0.020 . 1 . . . . A 131 VAL HB . 30551 1 1534 . 1 1 132 132 VAL HG11 H 1 0.966 0.020 . 2 . . . . A 131 VAL HG11 . 30551 1 1535 . 1 1 132 132 VAL HG12 H 1 0.966 0.020 . 2 . . . . A 131 VAL HG12 . 30551 1 1536 . 1 1 132 132 VAL HG13 H 1 0.966 0.020 . 2 . . . . A 131 VAL HG13 . 30551 1 1537 . 1 1 132 132 VAL HG21 H 1 1.011 0.020 . 2 . . . . A 131 VAL HG21 . 30551 1 1538 . 1 1 132 132 VAL HG22 H 1 1.011 0.020 . 2 . . . . A 131 VAL HG22 . 30551 1 1539 . 1 1 132 132 VAL HG23 H 1 1.011 0.020 . 2 . . . . A 131 VAL HG23 . 30551 1 1540 . 1 1 132 132 VAL CA C 13 61.646 0.400 . 1 . . . . A 131 VAL CA . 30551 1 1541 . 1 1 132 132 VAL CB C 13 32.730 0.400 . 1 . . . . A 131 VAL CB . 30551 1 1542 . 1 1 132 132 VAL CG1 C 13 20.329 0.400 . 2 . . . . A 131 VAL CG1 . 30551 1 1543 . 1 1 132 132 VAL CG2 C 13 21.047 0.400 . 2 . . . . A 131 VAL CG2 . 30551 1 1544 . 1 1 132 132 VAL N N 15 126.094 0.400 . 1 . . . . A 131 VAL N . 30551 1 1545 . 1 1 133 133 ASN HA H 1 4.941 0.020 . 1 . . . . A 132 ASN HA . 30551 1 1546 . 1 1 133 133 ASN HB2 H 1 2.870 0.020 . 2 . . . . A 132 ASN HB2 . 30551 1 1547 . 1 1 133 133 ASN HB3 H 1 2.936 0.020 . 2 . . . . A 132 ASN HB3 . 30551 1 1548 . 1 1 133 133 ASN CA C 13 53.220 0.400 . 1 . . . . A 132 ASN CA . 30551 1 1549 . 1 1 133 133 ASN CB C 13 39.040 0.400 . 1 . . . . A 132 ASN CB . 30551 1 1550 . 1 1 134 134 SER H H 1 8.476 0.020 . 1 . . . . A 133 SER H . 30551 1 1551 . 1 1 134 134 SER HA H 1 4.516 0.020 . 1 . . . . A 133 SER HA . 30551 1 1552 . 1 1 134 134 SER HB2 H 1 3.877 0.020 . 2 . . . . A 133 SER HB2 . 30551 1 1553 . 1 1 134 134 SER HB3 H 1 3.877 0.020 . 2 . . . . A 133 SER HB3 . 30551 1 1554 . 1 1 134 134 SER CA C 13 57.700 0.400 . 1 . . . . A 133 SER CA . 30551 1 1555 . 1 1 134 134 SER CB C 13 63.754 0.400 . 1 . . . . A 133 SER CB . 30551 1 1556 . 1 1 134 134 SER N N 15 118.039 0.400 . 1 . . . . A 133 SER N . 30551 1 1557 . 1 1 135 135 GLN H H 1 8.458 0.020 . 1 . . . . A 134 GLN H . 30551 1 1558 . 1 1 135 135 GLN HA H 1 4.726 0.020 . 1 . . . . A 134 GLN HA . 30551 1 1559 . 1 1 135 135 GLN HB2 H 1 2.039 0.020 . 2 . . . . A 134 GLN HB2 . 30551 1 1560 . 1 1 135 135 GLN HB3 H 1 1.981 0.020 . 2 . . . . A 134 GLN HB3 . 30551 1 1561 . 1 1 135 135 GLN HG2 H 1 2.450 0.020 . 2 . . . . A 134 GLN HG2 . 30551 1 1562 . 1 1 135 135 GLN HG3 H 1 2.363 0.020 . 2 . . . . A 134 GLN HG3 . 30551 1 1563 . 1 1 135 135 GLN HE21 H 1 6.751 0.020 . 2 . . . . A 134 GLN HE21 . 30551 1 1564 . 1 1 135 135 GLN HE22 H 1 7.317 0.020 . 2 . . . . A 134 GLN HE22 . 30551 1 1565 . 1 1 135 135 GLN CA C 13 55.181 0.400 . 1 . . . . A 134 GLN CA . 30551 1 1566 . 1 1 135 135 GLN CB C 13 29.478 0.400 . 1 . . . . A 134 GLN CB . 30551 1 1567 . 1 1 135 135 GLN CG C 13 33.928 0.400 . 1 . . . . A 134 GLN CG . 30551 1 1568 . 1 1 135 135 GLN N N 15 121.189 0.400 . 1 . . . . A 134 GLN N . 30551 1 1569 . 1 1 135 135 GLN NE2 N 15 111.600 0.400 . 1 . . . . A 134 GLN NE2 . 30551 1 1570 . 1 1 136 136 GLU H H 1 8.199 0.020 . 1 . . . . A 135 GLU H . 30551 1 1571 . 1 1 136 136 GLU HA H 1 4.605 0.020 . 1 . . . . A 135 GLU HA . 30551 1 1572 . 1 1 136 136 GLU HB2 H 1 2.146 0.020 . 2 . . . . A 135 GLU HB2 . 30551 1 1573 . 1 1 136 136 GLU HB3 H 1 1.847 0.020 . 2 . . . . A 135 GLU HB3 . 30551 1 1574 . 1 1 136 136 GLU HG2 H 1 2.215 0.020 . 2 . . . . A 135 GLU HG2 . 30551 1 1575 . 1 1 136 136 GLU HG3 H 1 2.215 0.020 . 2 . . . . A 135 GLU HG3 . 30551 1 1576 . 1 1 136 136 GLU CA C 13 54.517 0.400 . 1 . . . . A 135 GLU CA . 30551 1 1577 . 1 1 136 136 GLU CB C 13 32.865 0.400 . 1 . . . . A 135 GLU CB . 30551 1 1578 . 1 1 136 136 GLU CG C 13 35.867 0.400 . 1 . . . . A 135 GLU CG . 30551 1 1579 . 1 1 136 136 GLU N N 15 120.894 0.400 . 1 . . . . A 135 GLU N . 30551 1 1580 . 1 1 137 137 GLN H H 1 8.832 0.020 . 1 . . . . A 136 GLN H . 30551 1 1581 . 1 1 137 137 GLN HA H 1 4.470 0.020 . 1 . . . . A 136 GLN HA . 30551 1 1582 . 1 1 137 137 GLN HB2 H 1 2.072 0.020 . 2 . . . . A 136 GLN HB2 . 30551 1 1583 . 1 1 137 137 GLN HB3 H 1 2.072 0.020 . 2 . . . . A 136 GLN HB3 . 30551 1 1584 . 1 1 137 137 GLN HG2 H 1 2.438 0.020 . 2 . . . . A 136 GLN HG2 . 30551 1 1585 . 1 1 137 137 GLN HG3 H 1 2.438 0.020 . 2 . . . . A 136 GLN HG3 . 30551 1 1586 . 1 1 137 137 GLN HE21 H 1 7.668 0.020 . 2 . . . . A 136 GLN HE21 . 30551 1 1587 . 1 1 137 137 GLN HE22 H 1 6.950 0.020 . 2 . . . . A 136 GLN HE22 . 30551 1 1588 . 1 1 137 137 GLN CA C 13 55.291 0.400 . 1 . . . . A 136 GLN CA . 30551 1 1589 . 1 1 137 137 GLN CB C 13 29.394 0.400 . 1 . . . . A 136 GLN CB . 30551 1 1590 . 1 1 137 137 GLN CG C 13 33.510 0.400 . 1 . . . . A 136 GLN CG . 30551 1 1591 . 1 1 137 137 GLN N N 15 123.009 0.400 . 1 . . . . A 136 GLN N . 30551 1 1592 . 1 1 137 137 GLN NE2 N 15 112.506 0.400 . 1 . . . . A 136 GLN NE2 . 30551 1 1593 . 1 1 138 138 ILE H H 1 8.074 0.020 . 1 . . . . A 137 ILE H . 30551 1 1594 . 1 1 138 138 ILE HA H 1 4.091 0.020 . 1 . . . . A 137 ILE HA . 30551 1 1595 . 1 1 138 138 ILE HB H 1 1.517 0.020 . 1 . . . . A 137 ILE HB . 30551 1 1596 . 1 1 138 138 ILE HG12 H 1 0.706 0.020 . 2 . . . . A 137 ILE HG12 . 30551 1 1597 . 1 1 138 138 ILE HG13 H 1 1.367 0.020 . 2 . . . . A 137 ILE HG13 . 30551 1 1598 . 1 1 138 138 ILE HG21 H 1 1.004 0.020 . 1 . . . . A 137 ILE HG21 . 30551 1 1599 . 1 1 138 138 ILE HG22 H 1 1.004 0.020 . 1 . . . . A 137 ILE HG22 . 30551 1 1600 . 1 1 138 138 ILE HG23 H 1 1.004 0.020 . 1 . . . . A 137 ILE HG23 . 30551 1 1601 . 1 1 138 138 ILE HD11 H 1 0.563 0.020 . 1 . . . . A 137 ILE HD11 . 30551 1 1602 . 1 1 138 138 ILE HD12 H 1 0.563 0.020 . 1 . . . . A 137 ILE HD12 . 30551 1 1603 . 1 1 138 138 ILE HD13 H 1 0.563 0.020 . 1 . . . . A 137 ILE HD13 . 30551 1 1604 . 1 1 138 138 ILE CA C 13 59.918 0.400 . 1 . . . . A 137 ILE CA . 30551 1 1605 . 1 1 138 138 ILE CB C 13 38.925 0.400 . 1 . . . . A 137 ILE CB . 30551 1 1606 . 1 1 138 138 ILE CG1 C 13 29.414 0.400 . 1 . . . . A 137 ILE CG1 . 30551 1 1607 . 1 1 138 138 ILE CG2 C 13 18.259 0.400 . 1 . . . . A 137 ILE CG2 . 30551 1 1608 . 1 1 138 138 ILE CD1 C 13 14.208 0.400 . 1 . . . . A 137 ILE CD1 . 30551 1 1609 . 1 1 138 138 ILE N N 15 125.497 0.400 . 1 . . . . A 137 ILE N . 30551 1 1610 . 1 1 139 139 PRO HA H 1 4.752 0.020 . 1 . . . . A 138 PRO HA . 30551 1 1611 . 1 1 139 139 PRO HB2 H 1 2.231 0.020 . 2 . . . . A 138 PRO HB2 . 30551 1 1612 . 1 1 139 139 PRO HB3 H 1 1.963 0.020 . 2 . . . . A 138 PRO HB3 . 30551 1 1613 . 1 1 139 139 PRO HG2 H 1 1.969 0.020 . 2 . . . . A 138 PRO HG2 . 30551 1 1614 . 1 1 139 139 PRO HG3 H 1 1.969 0.020 . 2 . . . . A 138 PRO HG3 . 30551 1 1615 . 1 1 139 139 PRO HD2 H 1 4.018 0.020 . 2 . . . . A 138 PRO HD2 . 30551 1 1616 . 1 1 139 139 PRO HD3 H 1 3.728 0.020 . 2 . . . . A 138 PRO HD3 . 30551 1 1617 . 1 1 139 139 PRO CA C 13 62.383 0.400 . 1 . . . . A 138 PRO CA . 30551 1 1618 . 1 1 139 139 PRO CB C 13 32.488 0.400 . 1 . . . . A 138 PRO CB . 30551 1 1619 . 1 1 139 139 PRO CG C 13 26.493 0.400 . 1 . . . . A 138 PRO CG . 30551 1 1620 . 1 1 139 139 PRO CD C 13 50.760 0.400 . 1 . . . . A 138 PRO CD . 30551 1 1621 . 1 1 140 140 LEU H H 1 8.026 0.020 . 1 . . . . A 139 LEU H . 30551 1 1622 . 1 1 140 140 LEU HA H 1 4.552 0.020 . 1 . . . . A 139 LEU HA . 30551 1 1623 . 1 1 140 140 LEU HB2 H 1 1.519 0.020 . 2 . . . . A 139 LEU HB2 . 30551 1 1624 . 1 1 140 140 LEU HB3 H 1 1.519 0.020 . 2 . . . . A 139 LEU HB3 . 30551 1 1625 . 1 1 140 140 LEU HG H 1 1.542 0.020 . 1 . . . . A 139 LEU HG . 30551 1 1626 . 1 1 140 140 LEU HD11 H 1 0.703 0.020 . 2 . . . . A 139 LEU HD11 . 30551 1 1627 . 1 1 140 140 LEU HD12 H 1 0.703 0.020 . 2 . . . . A 139 LEU HD12 . 30551 1 1628 . 1 1 140 140 LEU HD13 H 1 0.703 0.020 . 2 . . . . A 139 LEU HD13 . 30551 1 1629 . 1 1 140 140 LEU HD21 H 1 0.657 0.020 . 2 . . . . A 139 LEU HD21 . 30551 1 1630 . 1 1 140 140 LEU HD22 H 1 0.657 0.020 . 2 . . . . A 139 LEU HD22 . 30551 1 1631 . 1 1 140 140 LEU HD23 H 1 0.657 0.020 . 2 . . . . A 139 LEU HD23 . 30551 1 1632 . 1 1 140 140 LEU CA C 13 54.056 0.400 . 1 . . . . A 139 LEU CA . 30551 1 1633 . 1 1 140 140 LEU CB C 13 42.847 0.400 . 1 . . . . A 139 LEU CB . 30551 1 1634 . 1 1 140 140 LEU CG C 13 26.909 0.400 . 1 . . . . A 139 LEU CG . 30551 1 1635 . 1 1 140 140 LEU CD1 C 13 24.396 0.400 . 2 . . . . A 139 LEU CD1 . 30551 1 1636 . 1 1 140 140 LEU CD2 C 13 23.532 0.400 . 2 . . . . A 139 LEU CD2 . 30551 1 1637 . 1 1 140 140 LEU N N 15 119.095 0.400 . 1 . . . . A 139 LEU N . 30551 1 1638 . 1 1 141 141 VAL H H 1 8.195 0.020 . 1 . . . . A 140 VAL H . 30551 1 1639 . 1 1 141 141 VAL HA H 1 3.962 0.020 . 1 . . . . A 140 VAL HA . 30551 1 1640 . 1 1 141 141 VAL HB H 1 1.905 0.020 . 1 . . . . A 140 VAL HB . 30551 1 1641 . 1 1 141 141 VAL HG11 H 1 1.366 0.020 . 2 . . . . A 140 VAL HG11 . 30551 1 1642 . 1 1 141 141 VAL HG12 H 1 1.366 0.020 . 2 . . . . A 140 VAL HG12 . 30551 1 1643 . 1 1 141 141 VAL HG13 H 1 1.366 0.020 . 2 . . . . A 140 VAL HG13 . 30551 1 1644 . 1 1 141 141 VAL HG21 H 1 0.685 0.020 . 2 . . . . A 140 VAL HG21 . 30551 1 1645 . 1 1 141 141 VAL HG22 H 1 0.685 0.020 . 2 . . . . A 140 VAL HG22 . 30551 1 1646 . 1 1 141 141 VAL HG23 H 1 0.685 0.020 . 2 . . . . A 140 VAL HG23 . 30551 1 1647 . 1 1 141 141 VAL CA C 13 61.960 0.400 . 1 . . . . A 140 VAL CA . 30551 1 1648 . 1 1 141 141 VAL CB C 13 32.360 0.400 . 1 . . . . A 140 VAL CB . 30551 1 1649 . 1 1 141 141 VAL CG1 C 13 17.600 0.400 . 2 . . . . A 140 VAL CG1 . 30551 1 1650 . 1 1 141 141 VAL CG2 C 13 21.254 0.400 . 2 . . . . A 140 VAL CG2 . 30551 1 1651 . 1 1 141 141 VAL N N 15 119.707 0.400 . 1 . . . . A 140 VAL N . 30551 1 1652 . 1 1 142 142 ASP H H 1 8.335 0.020 . 1 . . . . A 141 ASP H . 30551 1 1653 . 1 1 142 142 ASP HA H 1 4.657 0.020 . 1 . . . . A 141 ASP HA . 30551 1 1654 . 1 1 142 142 ASP HB2 H 1 2.659 0.020 . 2 . . . . A 141 ASP HB2 . 30551 1 1655 . 1 1 142 142 ASP HB3 H 1 2.491 0.020 . 2 . . . . A 141 ASP HB3 . 30551 1 1656 . 1 1 142 142 ASP CA C 13 53.506 0.400 . 1 . . . . A 141 ASP CA . 30551 1 1657 . 1 1 142 142 ASP CB C 13 41.076 0.400 . 1 . . . . A 141 ASP CB . 30551 1 1658 . 1 1 142 142 ASP N N 15 125.734 0.400 . 1 . . . . A 141 ASP N . 30551 1 1659 . 1 1 143 143 VAL H H 1 8.093 0.020 . 1 . . . . A 142 VAL H . 30551 1 1660 . 1 1 143 143 VAL HA H 1 4.168 0.020 . 1 . . . . A 142 VAL HA . 30551 1 1661 . 1 1 143 143 VAL HB H 1 2.141 0.020 . 1 . . . . A 142 VAL HB . 30551 1 1662 . 1 1 143 143 VAL HG11 H 1 0.895 0.020 . 2 . . . . A 142 VAL HG11 . 30551 1 1663 . 1 1 143 143 VAL HG12 H 1 0.895 0.020 . 2 . . . . A 142 VAL HG12 . 30551 1 1664 . 1 1 143 143 VAL HG13 H 1 0.895 0.020 . 2 . . . . A 142 VAL HG13 . 30551 1 1665 . 1 1 143 143 VAL HG21 H 1 0.888 0.020 . 2 . . . . A 142 VAL HG21 . 30551 1 1666 . 1 1 143 143 VAL HG22 H 1 0.888 0.020 . 2 . . . . A 142 VAL HG22 . 30551 1 1667 . 1 1 143 143 VAL HG23 H 1 0.888 0.020 . 2 . . . . A 142 VAL HG23 . 30551 1 1668 . 1 1 143 143 VAL CA C 13 61.442 0.400 . 1 . . . . A 142 VAL CA . 30551 1 1669 . 1 1 143 143 VAL CB C 13 32.275 0.400 . 1 . . . . A 142 VAL CB . 30551 1 1670 . 1 1 143 143 VAL CG1 C 13 21.003 0.400 . 2 . . . . A 142 VAL CG1 . 30551 1 1671 . 1 1 143 143 VAL CG2 C 13 19.803 0.400 . 2 . . . . A 142 VAL CG2 . 30551 1 1672 . 1 1 143 143 VAL N N 15 120.432 0.400 . 1 . . . . A 142 VAL N . 30551 1 1673 . 1 1 144 144 SER H H 1 8.423 0.020 . 1 . . . . A 143 SER H . 30551 1 1674 . 1 1 144 144 SER HA H 1 4.456 0.020 . 1 . . . . A 143 SER HA . 30551 1 1675 . 1 1 144 144 SER HB2 H 1 3.841 0.020 . 2 . . . . A 143 SER HB2 . 30551 1 1676 . 1 1 144 144 SER HB3 H 1 3.841 0.020 . 2 . . . . A 143 SER HB3 . 30551 1 1677 . 1 1 144 144 SER CA C 13 58.132 0.400 . 1 . . . . A 143 SER CA . 30551 1 1678 . 1 1 144 144 SER CB C 13 63.496 0.400 . 1 . . . . A 143 SER CB . 30551 1 1679 . 1 1 144 144 SER N N 15 120.095 0.400 . 1 . . . . A 143 SER N . 30551 1 1680 . 1 1 145 145 VAL H H 1 8.063 0.020 . 1 . . . . A 144 VAL H . 30551 1 1681 . 1 1 145 145 VAL HA H 1 4.173 0.020 . 1 . . . . A 144 VAL HA . 30551 1 1682 . 1 1 145 145 VAL HB H 1 2.119 0.020 . 1 . . . . A 144 VAL HB . 30551 1 1683 . 1 1 145 145 VAL HG11 H 1 0.910 0.020 . 2 . . . . A 144 VAL HG11 . 30551 1 1684 . 1 1 145 145 VAL HG12 H 1 0.910 0.020 . 2 . . . . A 144 VAL HG12 . 30551 1 1685 . 1 1 145 145 VAL HG13 H 1 0.910 0.020 . 2 . . . . A 144 VAL HG13 . 30551 1 1686 . 1 1 145 145 VAL HG21 H 1 0.887 0.020 . 2 . . . . A 144 VAL HG21 . 30551 1 1687 . 1 1 145 145 VAL HG22 H 1 0.887 0.020 . 2 . . . . A 144 VAL HG22 . 30551 1 1688 . 1 1 145 145 VAL HG23 H 1 0.887 0.020 . 2 . . . . A 144 VAL HG23 . 30551 1 1689 . 1 1 145 145 VAL CA C 13 61.803 0.400 . 1 . . . . A 144 VAL CA . 30551 1 1690 . 1 1 145 145 VAL CB C 13 32.428 0.400 . 1 . . . . A 144 VAL CB . 30551 1 1691 . 1 1 145 145 VAL CG1 C 13 20.971 0.400 . 2 . . . . A 144 VAL CG1 . 30551 1 1692 . 1 1 145 145 VAL CG2 C 13 19.703 0.400 . 2 . . . . A 144 VAL CG2 . 30551 1 1693 . 1 1 145 145 VAL N N 15 121.420 0.400 . 1 . . . . A 144 VAL N . 30551 1 1694 . 1 1 146 146 ASN H H 1 7.938 0.020 . 1 . . . . A 145 ASN H . 30551 1 1695 . 1 1 146 146 ASN HA H 1 4.422 0.020 . 1 . . . . A 145 ASN HA . 30551 1 1696 . 1 1 146 146 ASN HB2 H 1 2.628 0.020 . 2 . . . . A 145 ASN HB2 . 30551 1 1697 . 1 1 146 146 ASN HB3 H 1 2.748 0.020 . 2 . . . . A 145 ASN HB3 . 30551 1 1698 . 1 1 146 146 ASN CA C 13 54.552 0.400 . 1 . . . . A 145 ASN CA . 30551 1 1699 . 1 1 146 146 ASN CB C 13 40.374 0.400 . 1 . . . . A 145 ASN CB . 30551 1 1700 . 1 1 146 146 ASN N N 15 127.098 0.400 . 1 . . . . A 145 ASN N . 30551 1 stop_ save_