data_34550 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34550 _Entry.Title ; NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 7.2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-09 _Entry.Accession_date 2020-08-09 _Entry.Last_release_date 2021-08-09 _Entry.Original_release_date 2021-08-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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_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 M. Sarr M. . . . 34550 2 K. Kitoka K. . . . 34550 3 K. Walsh-White K. A. . . 34550 4 M. Kaldmae M. . . . 34550 5 M. Landreh M. . . . 34550 6 A. Rising A. . . . 34550 7 J. Johansson J. . . . 34550 8 K. Jaudzems K. . . . 34550 9 N. Kronqvist N. . . . 34550 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FLAGELLIFORM SPIDROIN' . 34550 'NT DOMAIN' . 34550 'STRUCTURAL PROTEIN' . 34550 'pH 7.2' . 34550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 34550 '15N chemical shifts' 136 34550 '1H chemical shifts' 867 34550 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-02-15 2020-08-09 update BMRB 'update entry citation' 34550 1 . . 2021-08-17 2020-08-09 original author 'original release' 34550 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7A0I 'BMRB Entry Tracking System' 34550 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34550 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35398358 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 298 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 101913 _Citation.Page_last 101913 _Citation.Year 2022 _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 Medoune Sarr M. . . . 34550 1 2 Kristine Kitoka K. . . . 34550 1 3 Kellie-Ann Walsh-White K. A. . . 34550 1 4 Margit Kaldmae M. . . . 34550 1 5 Rimants Metlans R. . . . 34550 1 6 Kaspar Tars K. . . . 34550 1 7 Alessandro Mantese A. . . . 34550 1 8 Dipen Shah D. . . . 34550 1 9 Michael Landreh M. . . . 34550 1 10 Anna Rising A. . . . 34550 1 11 Jan Johansson J. . . . 34550 1 12 Kristaps Jaudzems K. . . . 34550 1 13 Nina Kronqvist N. . . . 34550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34550 _Assembly.ID 1 _Assembly.Name 'Flagelliform spidroin variant 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34550 _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 ; GSGNSASQSPFSNPNTAEAF ARSFVSNIVSSGEFGAQGAE DFDDIIQSLIQAQSMGKGRH DTKAKAKAMQVALASSIAEL VIAESSGGDVQRKTNVISNA LRNALMSTTGSPNEEFVHEV QDLIQMLSQEQINEV ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14256.615 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 34550 1 2 . SER . 34550 1 3 . GLY . 34550 1 4 . ASN . 34550 1 5 . SER . 34550 1 6 . ALA . 34550 1 7 . SER . 34550 1 8 . GLN . 34550 1 9 . SER . 34550 1 10 . PRO . 34550 1 11 . PHE . 34550 1 12 . SER . 34550 1 13 . ASN . 34550 1 14 . PRO . 34550 1 15 . ASN . 34550 1 16 . THR . 34550 1 17 . ALA . 34550 1 18 . GLU . 34550 1 19 . ALA . 34550 1 20 . PHE . 34550 1 21 . ALA . 34550 1 22 . ARG . 34550 1 23 . SER . 34550 1 24 . PHE . 34550 1 25 . VAL . 34550 1 26 . SER . 34550 1 27 . ASN . 34550 1 28 . ILE . 34550 1 29 . VAL . 34550 1 30 . SER . 34550 1 31 . SER . 34550 1 32 . GLY . 34550 1 33 . GLU . 34550 1 34 . PHE . 34550 1 35 . GLY . 34550 1 36 . ALA . 34550 1 37 . GLN . 34550 1 38 . GLY . 34550 1 39 . ALA . 34550 1 40 . GLU . 34550 1 41 . ASP . 34550 1 42 . PHE . 34550 1 43 . ASP . 34550 1 44 . ASP . 34550 1 45 . ILE . 34550 1 46 . ILE . 34550 1 47 . GLN . 34550 1 48 . SER . 34550 1 49 . LEU . 34550 1 50 . ILE . 34550 1 51 . GLN . 34550 1 52 . ALA . 34550 1 53 . GLN . 34550 1 54 . SER . 34550 1 55 . MET . 34550 1 56 . GLY . 34550 1 57 . LYS . 34550 1 58 . GLY . 34550 1 59 . ARG . 34550 1 60 . HIS . 34550 1 61 . ASP . 34550 1 62 . THR . 34550 1 63 . LYS . 34550 1 64 . ALA . 34550 1 65 . LYS . 34550 1 66 . ALA . 34550 1 67 . LYS . 34550 1 68 . ALA . 34550 1 69 . MET . 34550 1 70 . GLN . 34550 1 71 . VAL . 34550 1 72 . ALA . 34550 1 73 . LEU . 34550 1 74 . ALA . 34550 1 75 . SER . 34550 1 76 . SER . 34550 1 77 . ILE . 34550 1 78 . ALA . 34550 1 79 . GLU . 34550 1 80 . LEU . 34550 1 81 . VAL . 34550 1 82 . ILE . 34550 1 83 . ALA . 34550 1 84 . GLU . 34550 1 85 . SER . 34550 1 86 . SER . 34550 1 87 . GLY . 34550 1 88 . GLY . 34550 1 89 . ASP . 34550 1 90 . VAL . 34550 1 91 . GLN . 34550 1 92 . ARG . 34550 1 93 . LYS . 34550 1 94 . THR . 34550 1 95 . ASN . 34550 1 96 . VAL . 34550 1 97 . ILE . 34550 1 98 . SER . 34550 1 99 . ASN . 34550 1 100 . ALA . 34550 1 101 . LEU . 34550 1 102 . ARG . 34550 1 103 . ASN . 34550 1 104 . ALA . 34550 1 105 . LEU . 34550 1 106 . MET . 34550 1 107 . SER . 34550 1 108 . THR . 34550 1 109 . THR . 34550 1 110 . GLY . 34550 1 111 . SER . 34550 1 112 . PRO . 34550 1 113 . ASN . 34550 1 114 . GLU . 34550 1 115 . GLU . 34550 1 116 . PHE . 34550 1 117 . VAL . 34550 1 118 . HIS . 34550 1 119 . GLU . 34550 1 120 . VAL . 34550 1 121 . GLN . 34550 1 122 . ASP . 34550 1 123 . LEU . 34550 1 124 . ILE . 34550 1 125 . GLN . 34550 1 126 . MET . 34550 1 127 . LEU . 34550 1 128 . SER . 34550 1 129 . GLN . 34550 1 130 . GLU . 34550 1 131 . GLN . 34550 1 132 . ILE . 34550 1 133 . ASN . 34550 1 134 . GLU . 34550 1 135 . VAL . 34550 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34550 1 . SER 2 2 34550 1 . GLY 3 3 34550 1 . ASN 4 4 34550 1 . SER 5 5 34550 1 . ALA 6 6 34550 1 . SER 7 7 34550 1 . GLN 8 8 34550 1 . SER 9 9 34550 1 . PRO 10 10 34550 1 . PHE 11 11 34550 1 . SER 12 12 34550 1 . ASN 13 13 34550 1 . PRO 14 14 34550 1 . ASN 15 15 34550 1 . THR 16 16 34550 1 . ALA 17 17 34550 1 . GLU 18 18 34550 1 . ALA 19 19 34550 1 . PHE 20 20 34550 1 . ALA 21 21 34550 1 . ARG 22 22 34550 1 . SER 23 23 34550 1 . PHE 24 24 34550 1 . VAL 25 25 34550 1 . SER 26 26 34550 1 . ASN 27 27 34550 1 . ILE 28 28 34550 1 . VAL 29 29 34550 1 . SER 30 30 34550 1 . SER 31 31 34550 1 . GLY 32 32 34550 1 . GLU 33 33 34550 1 . PHE 34 34 34550 1 . GLY 35 35 34550 1 . ALA 36 36 34550 1 . GLN 37 37 34550 1 . GLY 38 38 34550 1 . ALA 39 39 34550 1 . GLU 40 40 34550 1 . ASP 41 41 34550 1 . PHE 42 42 34550 1 . ASP 43 43 34550 1 . ASP 44 44 34550 1 . ILE 45 45 34550 1 . ILE 46 46 34550 1 . GLN 47 47 34550 1 . SER 48 48 34550 1 . LEU 49 49 34550 1 . ILE 50 50 34550 1 . GLN 51 51 34550 1 . ALA 52 52 34550 1 . GLN 53 53 34550 1 . SER 54 54 34550 1 . MET 55 55 34550 1 . GLY 56 56 34550 1 . LYS 57 57 34550 1 . GLY 58 58 34550 1 . ARG 59 59 34550 1 . HIS 60 60 34550 1 . ASP 61 61 34550 1 . THR 62 62 34550 1 . LYS 63 63 34550 1 . ALA 64 64 34550 1 . LYS 65 65 34550 1 . ALA 66 66 34550 1 . LYS 67 67 34550 1 . ALA 68 68 34550 1 . MET 69 69 34550 1 . GLN 70 70 34550 1 . VAL 71 71 34550 1 . ALA 72 72 34550 1 . LEU 73 73 34550 1 . ALA 74 74 34550 1 . SER 75 75 34550 1 . SER 76 76 34550 1 . ILE 77 77 34550 1 . ALA 78 78 34550 1 . GLU 79 79 34550 1 . LEU 80 80 34550 1 . VAL 81 81 34550 1 . ILE 82 82 34550 1 . ALA 83 83 34550 1 . GLU 84 84 34550 1 . SER 85 85 34550 1 . SER 86 86 34550 1 . GLY 87 87 34550 1 . GLY 88 88 34550 1 . ASP 89 89 34550 1 . VAL 90 90 34550 1 . GLN 91 91 34550 1 . ARG 92 92 34550 1 . LYS 93 93 34550 1 . THR 94 94 34550 1 . ASN 95 95 34550 1 . VAL 96 96 34550 1 . ILE 97 97 34550 1 . SER 98 98 34550 1 . ASN 99 99 34550 1 . ALA 100 100 34550 1 . LEU 101 101 34550 1 . ARG 102 102 34550 1 . ASN 103 103 34550 1 . ALA 104 104 34550 1 . LEU 105 105 34550 1 . MET 106 106 34550 1 . SER 107 107 34550 1 . THR 108 108 34550 1 . THR 109 109 34550 1 . GLY 110 110 34550 1 . SER 111 111 34550 1 . PRO 112 112 34550 1 . ASN 113 113 34550 1 . GLU 114 114 34550 1 . GLU 115 115 34550 1 . PHE 116 116 34550 1 . VAL 117 117 34550 1 . HIS 118 118 34550 1 . GLU 119 119 34550 1 . VAL 120 120 34550 1 . GLN 121 121 34550 1 . ASP 122 122 34550 1 . LEU 123 123 34550 1 . ILE 124 124 34550 1 . GLN 125 125 34550 1 . MET 126 126 34550 1 . LEU 127 127 34550 1 . SER 128 128 34550 1 . GLN 129 129 34550 1 . GLU 130 130 34550 1 . GLN 131 131 34550 1 . ILE 132 132 34550 1 . ASN 133 133 34550 1 . GLU 134 134 34550 1 . VAL 135 135 34550 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 34550 _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 . 2585209 organism . 'Nephila clavipes' 'Golden silk orbweaver' . . Eukaryota Metazoa Nephila clavipes . . . . . . . . . . . Flag . 34550 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 34550 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34550 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2 mM [U-13C; U-15N] Flagelliform spidroin N-terminal domain, 20 mM sodium phosphate, 300 mM sodium chloride, 0.03 % sodium azide, 10 % [U-2H] D2O, 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 'Flagelliform spidroin N-terminal domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 34550 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34550 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 34550 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 34550 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 34550 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34550 _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' 0.35 . M 34550 1 pH 7.2 0.1 pH 34550 1 pressure 1 . atm 34550 1 temperature 298 0.1 K 34550 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34550 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34550 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34550 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34550 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34550 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34550 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34550 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34550 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34550 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34550 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34550 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34550 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34550 _Software.ID 5 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34550 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34550 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34550 _Software.ID 6 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34550 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34550 6 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 34550 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 34550 _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 Bruker AVANCE . 600 . . . 34550 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 34550 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34550 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34550 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34550 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34550 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34550 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34550 1 7 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34550 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 34550 _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 water protons . . . . ppm 4.77 internal indirect 0.25144953 . . . . . 34550 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . 34550 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.10132912 . . . . . 34550 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 34550 _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 '3D 1H-15N NOESY' . . . 34550 1 2 '3D 1H-13C NOESY aliphatic' . . . 34550 1 3 '3D 1H-13C NOESY aromatic' . . . 34550 1 4 '3D CBCA(CO)NH' . . . 34550 1 5 '3D HNCA' . . . 34550 1 6 '3D HNCO' . . . 34550 1 7 '3D HNHA' . . . 34550 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 5 5 SER HA H 1 4.353 0.020 . 1 . . . . A 5 SER HA . 34550 1 2 . 1 . 1 5 5 SER HB2 H 1 3.848 0.020 . 1 . . . . A 5 SER HB2 . 34550 1 3 . 1 . 1 5 5 SER HB3 H 1 3.848 0.020 . 1 . . . . A 5 SER HB3 . 34550 1 4 . 1 . 1 5 5 SER CA C 13 59.114 0.3 . 1 . . . . A 5 SER CA . 34550 1 5 . 1 . 1 5 5 SER CB C 13 64.048 0.3 . 1 . . . . A 5 SER CB . 34550 1 6 . 1 . 1 6 6 ALA HA H 1 4.287 0.020 . 1 . . . . A 6 ALA HA . 34550 1 7 . 1 . 1 6 6 ALA HB1 H 1 1.330 0.020 . 1 . . . . A 6 ALA HB1 . 34550 1 8 . 1 . 1 6 6 ALA HB2 H 1 1.330 0.020 . 1 . . . . A 6 ALA HB2 . 34550 1 9 . 1 . 1 6 6 ALA HB3 H 1 1.330 0.020 . 1 . . . . A 6 ALA HB3 . 34550 1 10 . 1 . 1 6 6 ALA C C 13 177.017 0.3 . 1 . . . . A 6 ALA C . 34550 1 11 . 1 . 1 6 6 ALA CA C 13 53.046 0.3 . 1 . . . . A 6 ALA CA . 34550 1 12 . 1 . 1 6 6 ALA CB C 13 19.228 0.3 . 1 . . . . A 6 ALA CB . 34550 1 13 . 1 . 1 7 7 SER H H 1 8.144 0.020 . 1 . . . . A 7 SER H . 34550 1 14 . 1 . 1 7 7 SER HA H 1 4.324 0.020 . 1 . . . . A 7 SER HA . 34550 1 15 . 1 . 1 7 7 SER HB2 H 1 3.781 0.020 . 1 . . . . A 7 SER HB2 . 34550 1 16 . 1 . 1 7 7 SER CA C 13 58.832 0.3 . 1 . . . . A 7 SER CA . 34550 1 17 . 1 . 1 7 7 SER CB C 13 64.066 0.3 . 1 . . . . A 7 SER CB . 34550 1 18 . 1 . 1 7 7 SER N N 15 114.770 0.3 . 1 . . . . A 7 SER N . 34550 1 19 . 1 . 1 8 8 GLN HA H 1 4.288 0.020 . 1 . . . . A 8 GLN HA . 34550 1 20 . 1 . 1 8 8 GLN HB2 H 1 1.847 0.020 . 2 . . . . A 8 GLN HB2 . 34550 1 21 . 1 . 1 8 8 GLN HB3 H 1 2.018 0.020 . 2 . . . . A 8 GLN HB3 . 34550 1 22 . 1 . 1 8 8 GLN HG2 H 1 2.259 0.020 . 1 . . . . A 8 GLN HG2 . 34550 1 23 . 1 . 1 8 8 GLN HG3 H 1 2.259 0.020 . 1 . . . . A 8 GLN HG3 . 34550 1 24 . 1 . 1 8 8 GLN HE21 H 1 7.381 0.020 . 1 . . . . A 8 GLN HE21 . 34550 1 25 . 1 . 1 8 8 GLN HE22 H 1 6.738 0.020 . 1 . . . . A 8 GLN HE22 . 34550 1 26 . 1 . 1 8 8 GLN CA C 13 55.729 0.3 . 1 . . . . A 8 GLN CA . 34550 1 27 . 1 . 1 8 8 GLN CB C 13 30.103 0.3 . 1 . . . . A 8 GLN CB . 34550 1 28 . 1 . 1 8 8 GLN CG C 13 34.193 0.3 . 1 . . . . A 8 GLN CG . 34550 1 29 . 1 . 1 8 8 GLN NE2 N 15 112.145 0.3 . 1 . . . . A 8 GLN NE2 . 34550 1 30 . 1 . 1 9 9 SER HA H 1 4.500 0.020 . 1 . . . . A 9 SER HA . 34550 1 31 . 1 . 1 9 9 SER HB2 H 1 3.597 0.020 . 2 . . . . A 9 SER HB2 . 34550 1 32 . 1 . 1 9 9 SER HB3 H 1 3.890 0.020 . 2 . . . . A 9 SER HB3 . 34550 1 33 . 1 . 1 9 9 SER CA C 13 55.231 0.3 . 1 . . . . A 9 SER CA . 34550 1 34 . 1 . 1 9 9 SER CB C 13 64.490 0.3 . 1 . . . . A 9 SER CB . 34550 1 35 . 1 . 1 10 10 PRO HA H 1 4.003 0.020 . 1 . . . . A 10 PRO HA . 34550 1 36 . 1 . 1 10 10 PRO HB2 H 1 0.668 0.020 . 2 . . . . A 10 PRO HB2 . 34550 1 37 . 1 . 1 10 10 PRO HB3 H 1 1.295 0.020 . 2 . . . . A 10 PRO HB3 . 34550 1 38 . 1 . 1 10 10 PRO HG2 H 1 0.091 0.020 . 2 . . . . A 10 PRO HG2 . 34550 1 39 . 1 . 1 10 10 PRO HG3 H 1 0.492 0.020 . 2 . . . . A 10 PRO HG3 . 34550 1 40 . 1 . 1 10 10 PRO HD2 H 1 3.064 0.020 . 1 . . . . A 10 PRO HD2 . 34550 1 41 . 1 . 1 10 10 PRO HD3 H 1 3.064 0.020 . 1 . . . . A 10 PRO HD3 . 34550 1 42 . 1 . 1 10 10 PRO C C 13 174.113 0.3 . 1 . . . . A 10 PRO C . 34550 1 43 . 1 . 1 10 10 PRO CA C 13 63.667 0.3 . 1 . . . . A 10 PRO CA . 34550 1 44 . 1 . 1 10 10 PRO CB C 13 31.589 0.3 . 1 . . . . A 10 PRO CB . 34550 1 45 . 1 . 1 10 10 PRO CG C 13 26.108 0.3 . 1 . . . . A 10 PRO CG . 34550 1 46 . 1 . 1 10 10 PRO CD C 13 50.001 0.3 . 1 . . . . A 10 PRO CD . 34550 1 47 . 1 . 1 11 11 PHE H H 1 7.283 0.020 . 1 . . . . A 11 PHE H . 34550 1 48 . 1 . 1 11 11 PHE HA H 1 4.506 0.020 . 1 . . . . A 11 PHE HA . 34550 1 49 . 1 . 1 11 11 PHE HB2 H 1 2.580 0.020 . 2 . . . . A 11 PHE HB2 . 34550 1 50 . 1 . 1 11 11 PHE HB3 H 1 3.463 0.020 . 2 . . . . A 11 PHE HB3 . 34550 1 51 . 1 . 1 11 11 PHE HD1 H 1 6.917 0.020 . 1 . . . . A 11 PHE HD1 . 34550 1 52 . 1 . 1 11 11 PHE HD2 H 1 6.917 0.020 . 1 . . . . A 11 PHE HD2 . 34550 1 53 . 1 . 1 11 11 PHE HE1 H 1 6.675 0.020 . 1 . . . . A 11 PHE HE1 . 34550 1 54 . 1 . 1 11 11 PHE HE2 H 1 6.675 0.020 . 1 . . . . A 11 PHE HE2 . 34550 1 55 . 1 . 1 11 11 PHE HZ H 1 6.315 0.020 . 1 . . . . A 11 PHE HZ . 34550 1 56 . 1 . 1 11 11 PHE CA C 13 56.427 0.3 . 1 . . . . A 11 PHE CA . 34550 1 57 . 1 . 1 11 11 PHE CB C 13 38.372 0.3 . 1 . . . . A 11 PHE CB . 34550 1 58 . 1 . 1 11 11 PHE CD1 C 13 131.134 0.3 . 1 . . . . A 11 PHE CD1 . 34550 1 59 . 1 . 1 11 11 PHE CE1 C 13 130.923 0.3 . 1 . . . . A 11 PHE CE1 . 34550 1 60 . 1 . 1 11 11 PHE CZ C 13 129.000 0.3 . 1 . . . . A 11 PHE CZ . 34550 1 61 . 1 . 1 11 11 PHE N N 15 112.973 0.3 . 1 . . . . A 11 PHE N . 34550 1 62 . 1 . 1 12 12 SER HA H 1 4.122 0.020 . 1 . . . . A 12 SER HA . 34550 1 63 . 1 . 1 12 12 SER HB2 H 1 3.847 0.020 . 2 . . . . A 12 SER HB2 . 34550 1 64 . 1 . 1 12 12 SER HB3 H 1 3.903 0.020 . 2 . . . . A 12 SER HB3 . 34550 1 65 . 1 . 1 12 12 SER C C 13 172.371 0.3 . 1 . . . . A 12 SER C . 34550 1 66 . 1 . 1 12 12 SER CA C 13 60.497 0.3 . 1 . . . . A 12 SER CA . 34550 1 67 . 1 . 1 12 12 SER CB C 13 64.051 0.3 . 1 . . . . A 12 SER CB . 34550 1 68 . 1 . 1 13 13 ASN H H 1 7.395 0.020 . 1 . . . . A 13 ASN H . 34550 1 69 . 1 . 1 13 13 ASN HA H 1 5.045 0.020 . 1 . . . . A 13 ASN HA . 34550 1 70 . 1 . 1 13 13 ASN HB2 H 1 2.948 0.020 . 2 . . . . A 13 ASN HB2 . 34550 1 71 . 1 . 1 13 13 ASN HB3 H 1 2.781 0.020 . 2 . . . . A 13 ASN HB3 . 34550 1 72 . 1 . 1 13 13 ASN HD21 H 1 7.105 0.020 . 1 . . . . A 13 ASN HD21 . 34550 1 73 . 1 . 1 13 13 ASN HD22 H 1 7.681 0.020 . 1 . . . . A 13 ASN HD22 . 34550 1 74 . 1 . 1 13 13 ASN CA C 13 51.226 0.3 . 1 . . . . A 13 ASN CA . 34550 1 75 . 1 . 1 13 13 ASN CB C 13 40.626 0.3 . 1 . . . . A 13 ASN CB . 34550 1 76 . 1 . 1 13 13 ASN N N 15 117.707 0.3 . 1 . . . . A 13 ASN N . 34550 1 77 . 1 . 1 13 13 ASN ND2 N 15 115.264 0.3 . 1 . . . . A 13 ASN ND2 . 34550 1 78 . 1 . 1 14 14 PRO HA H 1 4.219 0.020 . 1 . . . . A 14 PRO HA . 34550 1 79 . 1 . 1 14 14 PRO HB2 H 1 2.290 0.020 . 2 . . . . A 14 PRO HB2 . 34550 1 80 . 1 . 1 14 14 PRO HB3 H 1 1.947 0.020 . 2 . . . . A 14 PRO HB3 . 34550 1 81 . 1 . 1 14 14 PRO HG2 H 1 1.939 0.020 . 2 . . . . A 14 PRO HG2 . 34550 1 82 . 1 . 1 14 14 PRO HG3 H 1 2.048 0.020 . 2 . . . . A 14 PRO HG3 . 34550 1 83 . 1 . 1 14 14 PRO HD2 H 1 3.816 0.020 . 1 . . . . A 14 PRO HD2 . 34550 1 84 . 1 . 1 14 14 PRO HD3 H 1 3.816 0.020 . 1 . . . . A 14 PRO HD3 . 34550 1 85 . 1 . 1 14 14 PRO C C 13 177.399 0.3 . 1 . . . . A 14 PRO C . 34550 1 86 . 1 . 1 14 14 PRO CA C 13 65.542 0.3 . 1 . . . . A 14 PRO CA . 34550 1 87 . 1 . 1 14 14 PRO CB C 13 32.521 0.3 . 1 . . . . A 14 PRO CB . 34550 1 88 . 1 . 1 14 14 PRO CG C 13 27.856 0.3 . 1 . . . . A 14 PRO CG . 34550 1 89 . 1 . 1 14 14 PRO CD C 13 51.273 0.3 . 1 . . . . A 14 PRO CD . 34550 1 90 . 1 . 1 15 15 ASN H H 1 8.344 0.020 . 1 . . . . A 15 ASN H . 34550 1 91 . 1 . 1 15 15 ASN HA H 1 4.528 0.020 . 1 . . . . A 15 ASN HA . 34550 1 92 . 1 . 1 15 15 ASN HB2 H 1 2.778 0.020 . 2 . . . . A 15 ASN HB2 . 34550 1 93 . 1 . 1 15 15 ASN HB3 H 1 2.835 0.020 . 2 . . . . A 15 ASN HB3 . 34550 1 94 . 1 . 1 15 15 ASN HD21 H 1 7.636 0.020 . 1 . . . . A 15 ASN HD21 . 34550 1 95 . 1 . 1 15 15 ASN HD22 H 1 6.961 0.020 . 1 . . . . A 15 ASN HD22 . 34550 1 96 . 1 . 1 15 15 ASN C C 13 177.323 0.3 . 1 . . . . A 15 ASN C . 34550 1 97 . 1 . 1 15 15 ASN CA C 13 56.494 0.3 . 1 . . . . A 15 ASN CA . 34550 1 98 . 1 . 1 15 15 ASN CB C 13 38.414 0.3 . 1 . . . . A 15 ASN CB . 34550 1 99 . 1 . 1 15 15 ASN N N 15 116.819 0.3 . 1 . . . . A 15 ASN N . 34550 1 100 . 1 . 1 15 15 ASN ND2 N 15 113.631 0.3 . 1 . . . . A 15 ASN ND2 . 34550 1 101 . 1 . 1 16 16 THR H H 1 8.039 0.020 . 1 . . . . A 16 THR H . 34550 1 102 . 1 . 1 16 16 THR HA H 1 3.988 0.020 . 1 . . . . A 16 THR HA . 34550 1 103 . 1 . 1 16 16 THR HB H 1 4.131 0.020 . 1 . . . . A 16 THR HB . 34550 1 104 . 1 . 1 16 16 THR HG21 H 1 1.148 0.020 . 1 . . . . A 16 THR HG21 . 34550 1 105 . 1 . 1 16 16 THR HG22 H 1 1.148 0.020 . 1 . . . . A 16 THR HG22 . 34550 1 106 . 1 . 1 16 16 THR HG23 H 1 1.148 0.020 . 1 . . . . A 16 THR HG23 . 34550 1 107 . 1 . 1 16 16 THR C C 13 175.076 0.3 . 1 . . . . A 16 THR C . 34550 1 108 . 1 . 1 16 16 THR CA C 13 65.975 0.3 . 1 . . . . A 16 THR CA . 34550 1 109 . 1 . 1 16 16 THR CB C 13 68.575 0.3 . 1 . . . . A 16 THR CB . 34550 1 110 . 1 . 1 16 16 THR CG2 C 13 22.866 0.3 . 1 . . . . A 16 THR CG2 . 34550 1 111 . 1 . 1 16 16 THR N N 15 118.050 0.3 . 1 . . . . A 16 THR N . 34550 1 112 . 1 . 1 17 17 ALA H H 1 8.162 0.020 . 1 . . . . A 17 ALA H . 34550 1 113 . 1 . 1 17 17 ALA HA H 1 3.831 0.020 . 1 . . . . A 17 ALA HA . 34550 1 114 . 1 . 1 17 17 ALA HB1 H 1 1.463 0.020 . 1 . . . . A 17 ALA HB1 . 34550 1 115 . 1 . 1 17 17 ALA HB2 H 1 1.463 0.020 . 1 . . . . A 17 ALA HB2 . 34550 1 116 . 1 . 1 17 17 ALA HB3 H 1 1.463 0.020 . 1 . . . . A 17 ALA HB3 . 34550 1 117 . 1 . 1 17 17 ALA C C 13 177.995 0.3 . 1 . . . . A 17 ALA C . 34550 1 118 . 1 . 1 17 17 ALA CA C 13 56.418 0.3 . 1 . . . . A 17 ALA CA . 34550 1 119 . 1 . 1 17 17 ALA CB C 13 19.520 0.3 . 1 . . . . A 17 ALA CB . 34550 1 120 . 1 . 1 17 17 ALA N N 15 124.778 0.3 . 1 . . . . A 17 ALA N . 34550 1 121 . 1 . 1 18 18 GLU H H 1 7.903 0.020 . 1 . . . . A 18 GLU H . 34550 1 122 . 1 . 1 18 18 GLU HA H 1 3.798 0.020 . 1 . . . . A 18 GLU HA . 34550 1 123 . 1 . 1 18 18 GLU HB2 H 1 2.059 0.020 . 1 . . . . A 18 GLU HB2 . 34550 1 124 . 1 . 1 18 18 GLU HB3 H 1 2.059 0.020 . 1 . . . . A 18 GLU HB3 . 34550 1 125 . 1 . 1 18 18 GLU HG2 H 1 2.193 0.020 . 1 . . . . A 18 GLU HG2 . 34550 1 126 . 1 . 1 18 18 GLU HG3 H 1 2.193 0.020 . 1 . . . . A 18 GLU HG3 . 34550 1 127 . 1 . 1 18 18 GLU C C 13 176.925 0.3 . 1 . . . . A 18 GLU C . 34550 1 128 . 1 . 1 18 18 GLU CA C 13 60.089 0.3 . 1 . . . . A 18 GLU CA . 34550 1 129 . 1 . 1 18 18 GLU CB C 13 29.700 0.3 . 1 . . . . A 18 GLU CB . 34550 1 130 . 1 . 1 18 18 GLU CG C 13 36.880 0.3 . 1 . . . . A 18 GLU CG . 34550 1 131 . 1 . 1 18 18 GLU N N 15 117.234 0.3 . 1 . . . . A 18 GLU N . 34550 1 132 . 1 . 1 19 19 ALA H H 1 7.804 0.020 . 1 . . . . A 19 ALA H . 34550 1 133 . 1 . 1 19 19 ALA HA H 1 4.038 0.020 . 1 . . . . A 19 ALA HA . 34550 1 134 . 1 . 1 19 19 ALA HB1 H 1 1.505 0.020 . 1 . . . . A 19 ALA HB1 . 34550 1 135 . 1 . 1 19 19 ALA HB2 H 1 1.505 0.020 . 1 . . . . A 19 ALA HB2 . 34550 1 136 . 1 . 1 19 19 ALA HB3 H 1 1.505 0.020 . 1 . . . . A 19 ALA HB3 . 34550 1 137 . 1 . 1 19 19 ALA C C 13 180.196 0.3 . 1 . . . . A 19 ALA C . 34550 1 138 . 1 . 1 19 19 ALA CA C 13 55.620 0.3 . 1 . . . . A 19 ALA CA . 34550 1 139 . 1 . 1 19 19 ALA CB C 13 18.330 0.3 . 1 . . . . A 19 ALA CB . 34550 1 140 . 1 . 1 19 19 ALA N N 15 121.668 0.3 . 1 . . . . A 19 ALA N . 34550 1 141 . 1 . 1 20 20 PHE H H 1 8.891 0.020 . 1 . . . . A 20 PHE H . 34550 1 142 . 1 . 1 20 20 PHE HA H 1 4.208 0.020 . 1 . . . . A 20 PHE HA . 34550 1 143 . 1 . 1 20 20 PHE HB2 H 1 3.165 0.020 . 1 . . . . A 20 PHE HB2 . 34550 1 144 . 1 . 1 20 20 PHE HB3 H 1 3.165 0.020 . 1 . . . . A 20 PHE HB3 . 34550 1 145 . 1 . 1 20 20 PHE HD1 H 1 6.836 0.020 . 1 . . . . A 20 PHE HD1 . 34550 1 146 . 1 . 1 20 20 PHE HD2 H 1 6.836 0.020 . 1 . . . . A 20 PHE HD2 . 34550 1 147 . 1 . 1 20 20 PHE HE1 H 1 6.984 0.020 . 1 . . . . A 20 PHE HE1 . 34550 1 148 . 1 . 1 20 20 PHE HE2 H 1 6.984 0.020 . 1 . . . . A 20 PHE HE2 . 34550 1 149 . 1 . 1 20 20 PHE HZ H 1 6.780 0.020 . 1 . . . . A 20 PHE HZ . 34550 1 150 . 1 . 1 20 20 PHE C C 13 175.106 0.3 . 1 . . . . A 20 PHE C . 34550 1 151 . 1 . 1 20 20 PHE CA C 13 60.864 0.3 . 1 . . . . A 20 PHE CA . 34550 1 152 . 1 . 1 20 20 PHE CB C 13 38.556 0.3 . 1 . . . . A 20 PHE CB . 34550 1 153 . 1 . 1 20 20 PHE CD1 C 13 132.070 0.3 . 1 . . . . A 20 PHE CD1 . 34550 1 154 . 1 . 1 20 20 PHE CE1 C 13 130.535 0.3 . 1 . . . . A 20 PHE CE1 . 34550 1 155 . 1 . 1 20 20 PHE CZ C 13 128.599 0.3 . 1 . . . . A 20 PHE CZ . 34550 1 156 . 1 . 1 20 20 PHE N N 15 120.185 0.3 . 1 . . . . A 20 PHE N . 34550 1 157 . 1 . 1 21 21 ALA H H 1 8.382 0.020 . 1 . . . . A 21 ALA H . 34550 1 158 . 1 . 1 21 21 ALA HA H 1 3.470 0.020 . 1 . . . . A 21 ALA HA . 34550 1 159 . 1 . 1 21 21 ALA HB1 H 1 1.458 0.020 . 1 . . . . A 21 ALA HB1 . 34550 1 160 . 1 . 1 21 21 ALA HB2 H 1 1.458 0.020 . 1 . . . . A 21 ALA HB2 . 34550 1 161 . 1 . 1 21 21 ALA HB3 H 1 1.458 0.020 . 1 . . . . A 21 ALA HB3 . 34550 1 162 . 1 . 1 21 21 ALA C C 13 178.118 0.3 . 1 . . . . A 21 ALA C . 34550 1 163 . 1 . 1 21 21 ALA CA C 13 55.884 0.3 . 1 . . . . A 21 ALA CA . 34550 1 164 . 1 . 1 21 21 ALA CB C 13 19.214 0.3 . 1 . . . . A 21 ALA CB . 34550 1 165 . 1 . 1 21 21 ALA N N 15 122.868 0.3 . 1 . . . . A 21 ALA N . 34550 1 166 . 1 . 1 22 22 ARG H H 1 8.387 0.020 . 1 . . . . A 22 ARG H . 34550 1 167 . 1 . 1 22 22 ARG HA H 1 3.853 0.020 . 1 . . . . A 22 ARG HA . 34550 1 168 . 1 . 1 22 22 ARG HB2 H 1 1.761 0.020 . 2 . . . . A 22 ARG HB2 . 34550 1 169 . 1 . 1 22 22 ARG HB3 H 1 1.813 0.020 . 2 . . . . A 22 ARG HB3 . 34550 1 170 . 1 . 1 22 22 ARG HG2 H 1 1.627 0.020 . 2 . . . . A 22 ARG HG2 . 34550 1 171 . 1 . 1 22 22 ARG HG3 H 1 1.849 0.020 . 2 . . . . A 22 ARG HG3 . 34550 1 172 . 1 . 1 22 22 ARG HD2 H 1 3.096 0.020 . 2 . . . . A 22 ARG HD2 . 34550 1 173 . 1 . 1 22 22 ARG HD3 H 1 3.163 0.020 . 2 . . . . A 22 ARG HD3 . 34550 1 174 . 1 . 1 22 22 ARG C C 13 178.622 0.3 . 1 . . . . A 22 ARG C . 34550 1 175 . 1 . 1 22 22 ARG CA C 13 60.371 0.3 . 1 . . . . A 22 ARG CA . 34550 1 176 . 1 . 1 22 22 ARG CB C 13 29.843 0.3 . 1 . . . . A 22 ARG CB . 34550 1 177 . 1 . 1 22 22 ARG CG C 13 29.004 0.3 . 1 . . . . A 22 ARG CG . 34550 1 178 . 1 . 1 22 22 ARG CD C 13 43.490 0.3 . 1 . . . . A 22 ARG CD . 34550 1 179 . 1 . 1 22 22 ARG N N 15 115.660 0.3 . 1 . . . . A 22 ARG N . 34550 1 180 . 1 . 1 23 23 SER H H 1 8.075 0.020 . 1 . . . . A 23 SER H . 34550 1 181 . 1 . 1 23 23 SER HA H 1 4.128 0.020 . 1 . . . . A 23 SER HA . 34550 1 182 . 1 . 1 23 23 SER HB2 H 1 3.917 0.020 . 2 . . . . A 23 SER HB2 . 34550 1 183 . 1 . 1 23 23 SER HB3 H 1 3.815 0.020 . 2 . . . . A 23 SER HB3 . 34550 1 184 . 1 . 1 23 23 SER C C 13 175.917 0.3 . 1 . . . . A 23 SER C . 34550 1 185 . 1 . 1 23 23 SER CA C 13 62.018 0.3 . 1 . . . . A 23 SER CA . 34550 1 186 . 1 . 1 23 23 SER CB C 13 63.504 0.3 . 1 . . . . A 23 SER CB . 34550 1 187 . 1 . 1 23 23 SER N N 15 116.736 0.3 . 1 . . . . A 23 SER N . 34550 1 188 . 1 . 1 24 24 PHE H H 1 8.711 0.020 . 1 . . . . A 24 PHE H . 34550 1 189 . 1 . 1 24 24 PHE HA H 1 3.895 0.020 . 1 . . . . A 24 PHE HA . 34550 1 190 . 1 . 1 24 24 PHE HB2 H 1 2.767 0.020 . 2 . . . . A 24 PHE HB2 . 34550 1 191 . 1 . 1 24 24 PHE HB3 H 1 2.354 0.020 . 2 . . . . A 24 PHE HB3 . 34550 1 192 . 1 . 1 24 24 PHE HD1 H 1 6.798 0.020 . 1 . . . . A 24 PHE HD1 . 34550 1 193 . 1 . 1 24 24 PHE HD2 H 1 6.798 0.020 . 1 . . . . A 24 PHE HD2 . 34550 1 194 . 1 . 1 24 24 PHE HE1 H 1 7.127 0.020 . 1 . . . . A 24 PHE HE1 . 34550 1 195 . 1 . 1 24 24 PHE HE2 H 1 7.127 0.020 . 1 . . . . A 24 PHE HE2 . 34550 1 196 . 1 . 1 24 24 PHE HZ H 1 6.985 0.020 . 1 . . . . A 24 PHE HZ . 34550 1 197 . 1 . 1 24 24 PHE C C 13 175.580 0.3 . 1 . . . . A 24 PHE C . 34550 1 198 . 1 . 1 24 24 PHE CA C 13 61.435 0.3 . 1 . . . . A 24 PHE CA . 34550 1 199 . 1 . 1 24 24 PHE CB C 13 38.578 0.3 . 1 . . . . A 24 PHE CB . 34550 1 200 . 1 . 1 24 24 PHE CD1 C 13 131.561 0.3 . 1 . . . . A 24 PHE CD1 . 34550 1 201 . 1 . 1 24 24 PHE CE1 C 13 131.337 0.3 . 1 . . . . A 24 PHE CE1 . 34550 1 202 . 1 . 1 24 24 PHE CZ C 13 128.545 0.3 . 1 . . . . A 24 PHE CZ . 34550 1 203 . 1 . 1 24 24 PHE N N 15 122.155 0.3 . 1 . . . . A 24 PHE N . 34550 1 204 . 1 . 1 25 25 VAL H H 1 8.121 0.020 . 1 . . . . A 25 VAL H . 34550 1 205 . 1 . 1 25 25 VAL HA H 1 2.908 0.020 . 1 . . . . A 25 VAL HA . 34550 1 206 . 1 . 1 25 25 VAL HB H 1 1.992 0.020 . 1 . . . . A 25 VAL HB . 34550 1 207 . 1 . 1 25 25 VAL HG11 H 1 0.987 0.020 . 2 . . . . A 25 VAL HG11 . 34550 1 208 . 1 . 1 25 25 VAL HG12 H 1 0.987 0.020 . 2 . . . . A 25 VAL HG12 . 34550 1 209 . 1 . 1 25 25 VAL HG13 H 1 0.987 0.020 . 2 . . . . A 25 VAL HG13 . 34550 1 210 . 1 . 1 25 25 VAL HG21 H 1 0.815 0.020 . 2 . . . . A 25 VAL HG21 . 34550 1 211 . 1 . 1 25 25 VAL HG22 H 1 0.815 0.020 . 2 . . . . A 25 VAL HG22 . 34550 1 212 . 1 . 1 25 25 VAL HG23 H 1 0.815 0.020 . 2 . . . . A 25 VAL HG23 . 34550 1 213 . 1 . 1 25 25 VAL C C 13 176.421 0.3 . 1 . . . . A 25 VAL C . 34550 1 214 . 1 . 1 25 25 VAL CA C 13 67.419 0.3 . 1 . . . . A 25 VAL CA . 34550 1 215 . 1 . 1 25 25 VAL CB C 13 31.712 0.3 . 1 . . . . A 25 VAL CB . 34550 1 216 . 1 . 1 25 25 VAL CG1 C 13 24.208 0.3 . 1 . . . . A 25 VAL CG1 . 34550 1 217 . 1 . 1 25 25 VAL CG2 C 13 22.236 0.3 . 1 . . . . A 25 VAL CG2 . 34550 1 218 . 1 . 1 25 25 VAL N N 15 118.385 0.3 . 1 . . . . A 25 VAL N . 34550 1 219 . 1 . 1 26 26 SER H H 1 7.988 0.020 . 1 . . . . A 26 SER H . 34550 1 220 . 1 . 1 26 26 SER HA H 1 3.993 0.020 . 1 . . . . A 26 SER HA . 34550 1 221 . 1 . 1 26 26 SER HB2 H 1 3.958 0.020 . 2 . . . . A 26 SER HB2 . 34550 1 222 . 1 . 1 26 26 SER HB3 H 1 3.899 0.020 . 2 . . . . A 26 SER HB3 . 34550 1 223 . 1 . 1 26 26 SER C C 13 176.268 0.3 . 1 . . . . A 26 SER C . 34550 1 224 . 1 . 1 26 26 SER CA C 13 62.447 0.3 . 1 . . . . A 26 SER CA . 34550 1 225 . 1 . 1 26 26 SER CB C 13 63.145 0.3 . 1 . . . . A 26 SER CB . 34550 1 226 . 1 . 1 26 26 SER N N 15 114.602 0.3 . 1 . . . . A 26 SER N . 34550 1 227 . 1 . 1 27 27 ASN H H 1 8.005 0.020 . 1 . . . . A 27 ASN H . 34550 1 228 . 1 . 1 27 27 ASN HA H 1 4.372 0.020 . 1 . . . . A 27 ASN HA . 34550 1 229 . 1 . 1 27 27 ASN HB2 H 1 2.712 0.020 . 2 . . . . A 27 ASN HB2 . 34550 1 230 . 1 . 1 27 27 ASN HB3 H 1 2.940 0.020 . 2 . . . . A 27 ASN HB3 . 34550 1 231 . 1 . 1 27 27 ASN HD21 H 1 7.133 0.020 . 1 . . . . A 27 ASN HD21 . 34550 1 232 . 1 . 1 27 27 ASN HD22 H 1 7.221 0.020 . 1 . . . . A 27 ASN HD22 . 34550 1 233 . 1 . 1 27 27 ASN C C 13 177.445 0.3 . 1 . . . . A 27 ASN C . 34550 1 234 . 1 . 1 27 27 ASN CA C 13 56.072 0.3 . 1 . . . . A 27 ASN CA . 34550 1 235 . 1 . 1 27 27 ASN CB C 13 39.154 0.3 . 1 . . . . A 27 ASN CB . 34550 1 236 . 1 . 1 27 27 ASN N N 15 120.004 0.3 . 1 . . . . A 27 ASN N . 34550 1 237 . 1 . 1 27 27 ASN ND2 N 15 110.668 0.3 . 1 . . . . A 27 ASN ND2 . 34550 1 238 . 1 . 1 28 28 ILE H H 1 7.919 0.020 . 1 . . . . A 28 ILE H . 34550 1 239 . 1 . 1 28 28 ILE HA H 1 3.540 0.020 . 1 . . . . A 28 ILE HA . 34550 1 240 . 1 . 1 28 28 ILE HB H 1 1.532 0.020 . 1 . . . . A 28 ILE HB . 34550 1 241 . 1 . 1 28 28 ILE HG12 H 1 0.649 0.020 . 2 . . . . A 28 ILE HG12 . 34550 1 242 . 1 . 1 28 28 ILE HG13 H 1 0.408 0.020 . 2 . . . . A 28 ILE HG13 . 34550 1 243 . 1 . 1 28 28 ILE HG21 H 1 0.053 0.020 . 1 . . . . A 28 ILE HG21 . 34550 1 244 . 1 . 1 28 28 ILE HG22 H 1 0.053 0.020 . 1 . . . . A 28 ILE HG22 . 34550 1 245 . 1 . 1 28 28 ILE HG23 H 1 0.053 0.020 . 1 . . . . A 28 ILE HG23 . 34550 1 246 . 1 . 1 28 28 ILE HD11 H 1 -0.312 0.020 . 1 . . . . A 28 ILE HD11 . 34550 1 247 . 1 . 1 28 28 ILE HD12 H 1 -0.312 0.020 . 1 . . . . A 28 ILE HD12 . 34550 1 248 . 1 . 1 28 28 ILE HD13 H 1 -0.312 0.020 . 1 . . . . A 28 ILE HD13 . 34550 1 249 . 1 . 1 28 28 ILE C C 13 179.187 0.3 . 1 . . . . A 28 ILE C . 34550 1 250 . 1 . 1 28 28 ILE CA C 13 65.216 0.3 . 1 . . . . A 28 ILE CA . 34550 1 251 . 1 . 1 28 28 ILE CB C 13 36.893 0.3 . 1 . . . . A 28 ILE CB . 34550 1 252 . 1 . 1 28 28 ILE CG1 C 13 26.876 0.3 . 1 . . . . A 28 ILE CG1 . 34550 1 253 . 1 . 1 28 28 ILE CG2 C 13 18.262 0.3 . 1 . . . . A 28 ILE CG2 . 34550 1 254 . 1 . 1 28 28 ILE CD1 C 13 12.228 0.3 . 1 . . . . A 28 ILE CD1 . 34550 1 255 . 1 . 1 28 28 ILE N N 15 119.524 0.3 . 1 . . . . A 28 ILE N . 34550 1 256 . 1 . 1 29 29 VAL H H 1 8.482 0.020 . 1 . . . . A 29 VAL H . 34550 1 257 . 1 . 1 29 29 VAL HA H 1 3.544 0.020 . 1 . . . . A 29 VAL HA . 34550 1 258 . 1 . 1 29 29 VAL HB H 1 2.083 0.020 . 1 . . . . A 29 VAL HB . 34550 1 259 . 1 . 1 29 29 VAL HG11 H 1 0.819 0.020 . 2 . . . . A 29 VAL HG11 . 34550 1 260 . 1 . 1 29 29 VAL HG12 H 1 0.819 0.020 . 2 . . . . A 29 VAL HG12 . 34550 1 261 . 1 . 1 29 29 VAL HG13 H 1 0.819 0.020 . 2 . . . . A 29 VAL HG13 . 34550 1 262 . 1 . 1 29 29 VAL HG21 H 1 0.880 0.020 . 2 . . . . A 29 VAL HG21 . 34550 1 263 . 1 . 1 29 29 VAL HG22 H 1 0.880 0.020 . 2 . . . . A 29 VAL HG22 . 34550 1 264 . 1 . 1 29 29 VAL HG23 H 1 0.880 0.020 . 2 . . . . A 29 VAL HG23 . 34550 1 265 . 1 . 1 29 29 VAL C C 13 177.888 0.3 . 1 . . . . A 29 VAL C . 34550 1 266 . 1 . 1 29 29 VAL CA C 13 67.224 0.3 . 1 . . . . A 29 VAL CA . 34550 1 267 . 1 . 1 29 29 VAL CB C 13 31.893 0.3 . 1 . . . . A 29 VAL CB . 34550 1 268 . 1 . 1 29 29 VAL CG1 C 13 23.029 0.3 . 1 . . . . A 29 VAL CG1 . 34550 1 269 . 1 . 1 29 29 VAL CG2 C 13 21.327 0.3 . 1 . . . . A 29 VAL CG2 . 34550 1 270 . 1 . 1 29 29 VAL N N 15 124.943 0.3 . 1 . . . . A 29 VAL N . 34550 1 271 . 1 . 1 30 30 SER H H 1 8.256 0.020 . 1 . . . . A 30 SER H . 34550 1 272 . 1 . 1 30 30 SER HA H 1 4.214 0.020 . 1 . . . . A 30 SER HA . 34550 1 273 . 1 . 1 30 30 SER HB2 H 1 3.898 0.020 . 2 . . . . A 30 SER HB2 . 34550 1 274 . 1 . 1 30 30 SER HB3 H 1 3.958 0.020 . 2 . . . . A 30 SER HB3 . 34550 1 275 . 1 . 1 30 30 SER C C 13 174.786 0.3 . 1 . . . . A 30 SER C . 34550 1 276 . 1 . 1 30 30 SER CA C 13 61.132 0.3 . 1 . . . . A 30 SER CA . 34550 1 277 . 1 . 1 30 30 SER CB C 13 63.234 0.3 . 1 . . . . A 30 SER CB . 34550 1 278 . 1 . 1 30 30 SER N N 15 114.607 0.3 . 1 . . . . A 30 SER N . 34550 1 279 . 1 . 1 31 31 SER H H 1 7.433 0.020 . 1 . . . . A 31 SER H . 34550 1 280 . 1 . 1 31 31 SER HA H 1 4.174 0.020 . 1 . . . . A 31 SER HA . 34550 1 281 . 1 . 1 31 31 SER HB2 H 1 4.093 0.020 . 2 . . . . A 31 SER HB2 . 34550 1 282 . 1 . 1 31 31 SER HB3 H 1 3.989 0.020 . 2 . . . . A 31 SER HB3 . 34550 1 283 . 1 . 1 31 31 SER C C 13 174.862 0.3 . 1 . . . . A 31 SER C . 34550 1 284 . 1 . 1 31 31 SER CA C 13 61.400 0.3 . 1 . . . . A 31 SER CA . 34550 1 285 . 1 . 1 31 31 SER CB C 13 64.869 0.3 . 1 . . . . A 31 SER CB . 34550 1 286 . 1 . 1 31 31 SER N N 15 115.426 0.3 . 1 . . . . A 31 SER N . 34550 1 287 . 1 . 1 32 32 GLY H H 1 7.517 0.020 . 1 . . . . A 32 GLY H . 34550 1 288 . 1 . 1 32 32 GLY HA2 H 1 4.151 0.020 . 2 . . . . A 32 GLY HA2 . 34550 1 289 . 1 . 1 32 32 GLY HA3 H 1 3.941 0.020 . 2 . . . . A 32 GLY HA3 . 34550 1 290 . 1 . 1 32 32 GLY C C 13 174.159 0.3 . 1 . . . . A 32 GLY C . 34550 1 291 . 1 . 1 32 32 GLY CA C 13 46.648 0.3 . 1 . . . . A 32 GLY CA . 34550 1 292 . 1 . 1 32 32 GLY N N 15 109.506 0.3 . 1 . . . . A 32 GLY N . 34550 1 293 . 1 . 1 33 33 GLU H H 1 7.871 0.020 . 1 . . . . A 33 GLU H . 34550 1 294 . 1 . 1 33 33 GLU HA H 1 4.061 0.020 . 1 . . . . A 33 GLU HA . 34550 1 295 . 1 . 1 33 33 GLU HB2 H 1 1.557 0.020 . 2 . . . . A 33 GLU HB2 . 34550 1 296 . 1 . 1 33 33 GLU HB3 H 1 1.516 0.020 . 2 . . . . A 33 GLU HB3 . 34550 1 297 . 1 . 1 33 33 GLU HG2 H 1 1.875 0.020 . 2 . . . . A 33 GLU HG2 . 34550 1 298 . 1 . 1 33 33 GLU HG3 H 1 1.921 0.020 . 2 . . . . A 33 GLU HG3 . 34550 1 299 . 1 . 1 33 33 GLU C C 13 174.541 0.3 . 1 . . . . A 33 GLU C . 34550 1 300 . 1 . 1 33 33 GLU CA C 13 56.931 0.3 . 1 . . . . A 33 GLU CA . 34550 1 301 . 1 . 1 33 33 GLU CB C 13 30.805 0.3 . 1 . . . . A 33 GLU CB . 34550 1 302 . 1 . 1 33 33 GLU CG C 13 35.839 0.3 . 1 . . . . A 33 GLU CG . 34550 1 303 . 1 . 1 33 33 GLU N N 15 118.759 0.3 . 1 . . . . A 33 GLU N . 34550 1 304 . 1 . 1 34 34 PHE H H 1 8.585 0.020 . 1 . . . . A 34 PHE H . 34550 1 305 . 1 . 1 34 34 PHE HA H 1 4.643 0.020 . 1 . . . . A 34 PHE HA . 34550 1 306 . 1 . 1 34 34 PHE HB2 H 1 3.336 0.020 . 2 . . . . A 34 PHE HB2 . 34550 1 307 . 1 . 1 34 34 PHE HB3 H 1 2.696 0.020 . 2 . . . . A 34 PHE HB3 . 34550 1 308 . 1 . 1 34 34 PHE HD1 H 1 7.161 0.020 . 1 . . . . A 34 PHE HD1 . 34550 1 309 . 1 . 1 34 34 PHE HD2 H 1 7.161 0.020 . 1 . . . . A 34 PHE HD2 . 34550 1 310 . 1 . 1 34 34 PHE HE1 H 1 6.988 0.020 . 1 . . . . A 34 PHE HE1 . 34550 1 311 . 1 . 1 34 34 PHE HE2 H 1 6.988 0.020 . 1 . . . . A 34 PHE HE2 . 34550 1 312 . 1 . 1 34 34 PHE HZ H 1 6.839 0.020 . 1 . . . . A 34 PHE HZ . 34550 1 313 . 1 . 1 34 34 PHE C C 13 175.045 0.3 . 1 . . . . A 34 PHE C . 34550 1 314 . 1 . 1 34 34 PHE CA C 13 56.481 0.3 . 1 . . . . A 34 PHE CA . 34550 1 315 . 1 . 1 34 34 PHE CB C 13 39.645 0.3 . 1 . . . . A 34 PHE CB . 34550 1 316 . 1 . 1 34 34 PHE CD1 C 13 132.825 0.3 . 1 . . . . A 34 PHE CD1 . 34550 1 317 . 1 . 1 34 34 PHE CE1 C 13 130.351 0.3 . 1 . . . . A 34 PHE CE1 . 34550 1 318 . 1 . 1 34 34 PHE CZ C 13 129.281 0.3 . 1 . . . . A 34 PHE CZ . 34550 1 319 . 1 . 1 34 34 PHE N N 15 117.143 0.3 . 1 . . . . A 34 PHE N . 34550 1 320 . 1 . 1 35 35 GLY H H 1 8.253 0.020 . 1 . . . . A 35 GLY H . 34550 1 321 . 1 . 1 35 35 GLY HA2 H 1 3.938 0.020 . 2 . . . . A 35 GLY HA2 . 34550 1 322 . 1 . 1 35 35 GLY HA3 H 1 3.850 0.020 . 2 . . . . A 35 GLY HA3 . 34550 1 323 . 1 . 1 35 35 GLY C C 13 173.547 0.3 . 1 . . . . A 35 GLY C . 34550 1 324 . 1 . 1 35 35 GLY CA C 13 46.422 0.3 . 1 . . . . A 35 GLY CA . 34550 1 325 . 1 . 1 35 35 GLY N N 15 108.581 0.3 . 1 . . . . A 35 GLY N . 34550 1 326 . 1 . 1 36 36 ALA H H 1 8.428 0.020 . 1 . . . . A 36 ALA H . 34550 1 327 . 1 . 1 36 36 ALA HA H 1 4.304 0.020 . 1 . . . . A 36 ALA HA . 34550 1 328 . 1 . 1 36 36 ALA HB1 H 1 1.332 0.020 . 1 . . . . A 36 ALA HB1 . 34550 1 329 . 1 . 1 36 36 ALA HB2 H 1 1.332 0.020 . 1 . . . . A 36 ALA HB2 . 34550 1 330 . 1 . 1 36 36 ALA HB3 H 1 1.332 0.020 . 1 . . . . A 36 ALA HB3 . 34550 1 331 . 1 . 1 36 36 ALA C C 13 177.277 0.3 . 1 . . . . A 36 ALA C . 34550 1 332 . 1 . 1 36 36 ALA CA C 13 53.304 0.3 . 1 . . . . A 36 ALA CA . 34550 1 333 . 1 . 1 36 36 ALA CB C 13 19.364 0.3 . 1 . . . . A 36 ALA CB . 34550 1 334 . 1 . 1 36 36 ALA N N 15 124.990 0.3 . 1 . . . . A 36 ALA N . 34550 1 335 . 1 . 1 37 37 GLN H H 1 8.179 0.020 . 1 . . . . A 37 GLN H . 34550 1 336 . 1 . 1 37 37 GLN HA H 1 4.159 0.020 . 1 . . . . A 37 GLN HA . 34550 1 337 . 1 . 1 37 37 GLN HB2 H 1 2.047 0.020 . 2 . . . . A 37 GLN HB2 . 34550 1 338 . 1 . 1 37 37 GLN HB3 H 1 1.940 0.020 . 2 . . . . A 37 GLN HB3 . 34550 1 339 . 1 . 1 37 37 GLN HG2 H 1 2.332 0.020 . 2 . . . . A 37 GLN HG2 . 34550 1 340 . 1 . 1 37 37 GLN HG3 H 1 2.213 0.020 . 2 . . . . A 37 GLN HG3 . 34550 1 341 . 1 . 1 37 37 GLN HE21 H 1 7.482 0.020 . 1 . . . . A 37 GLN HE21 . 34550 1 342 . 1 . 1 37 37 GLN HE22 H 1 6.746 0.020 . 1 . . . . A 37 GLN HE22 . 34550 1 343 . 1 . 1 37 37 GLN C C 13 175.626 0.3 . 1 . . . . A 37 GLN C . 34550 1 344 . 1 . 1 37 37 GLN CA C 13 57.310 0.3 . 1 . . . . A 37 GLN CA . 34550 1 345 . 1 . 1 37 37 GLN CB C 13 30.262 0.3 . 1 . . . . A 37 GLN CB . 34550 1 346 . 1 . 1 37 37 GLN CG C 13 34.921 0.3 . 1 . . . . A 37 GLN CG . 34550 1 347 . 1 . 1 37 37 GLN N N 15 118.611 0.3 . 1 . . . . A 37 GLN N . 34550 1 348 . 1 . 1 37 37 GLN NE2 N 15 112.309 0.3 . 1 . . . . A 37 GLN NE2 . 34550 1 349 . 1 . 1 38 38 GLY H H 1 8.549 0.020 . 1 . . . . A 38 GLY H . 34550 1 350 . 1 . 1 38 38 GLY HA2 H 1 4.183 0.020 . 2 . . . . A 38 GLY HA2 . 34550 1 351 . 1 . 1 38 38 GLY HA3 H 1 3.836 0.020 . 2 . . . . A 38 GLY HA3 . 34550 1 352 . 1 . 1 38 38 GLY C C 13 176.283 0.3 . 1 . . . . A 38 GLY C . 34550 1 353 . 1 . 1 38 38 GLY CA C 13 45.098 0.3 . 1 . . . . A 38 GLY CA . 34550 1 354 . 1 . 1 38 38 GLY N N 15 109.025 0.3 . 1 . . . . A 38 GLY N . 34550 1 355 . 1 . 1 39 39 ALA H H 1 8.482 0.020 . 1 . . . . A 39 ALA H . 34550 1 356 . 1 . 1 39 39 ALA HA H 1 3.881 0.020 . 1 . . . . A 39 ALA HA . 34550 1 357 . 1 . 1 39 39 ALA HB1 H 1 1.332 0.020 . 1 . . . . A 39 ALA HB1 . 34550 1 358 . 1 . 1 39 39 ALA HB2 H 1 1.332 0.020 . 1 . . . . A 39 ALA HB2 . 34550 1 359 . 1 . 1 39 39 ALA HB3 H 1 1.332 0.020 . 1 . . . . A 39 ALA HB3 . 34550 1 360 . 1 . 1 39 39 ALA C C 13 179.035 0.3 . 1 . . . . A 39 ALA C . 34550 1 361 . 1 . 1 39 39 ALA CA C 13 55.487 0.3 . 1 . . . . A 39 ALA CA . 34550 1 362 . 1 . 1 39 39 ALA CB C 13 18.735 0.3 . 1 . . . . A 39 ALA CB . 34550 1 363 . 1 . 1 39 39 ALA N N 15 121.982 0.3 . 1 . . . . A 39 ALA N . 34550 1 364 . 1 . 1 40 40 GLU H H 1 8.923 0.020 . 1 . . . . A 40 GLU H . 34550 1 365 . 1 . 1 40 40 GLU HA H 1 4.044 0.020 . 1 . . . . A 40 GLU HA . 34550 1 366 . 1 . 1 40 40 GLU HB2 H 1 1.976 0.020 . 2 . . . . A 40 GLU HB2 . 34550 1 367 . 1 . 1 40 40 GLU HB3 H 1 1.925 0.020 . 2 . . . . A 40 GLU HB3 . 34550 1 368 . 1 . 1 40 40 GLU HG2 H 1 2.236 0.020 . 1 . . . . A 40 GLU HG2 . 34550 1 369 . 1 . 1 40 40 GLU HG3 H 1 2.236 0.020 . 1 . . . . A 40 GLU HG3 . 34550 1 370 . 1 . 1 40 40 GLU C C 13 177.292 0.3 . 1 . . . . A 40 GLU C . 34550 1 371 . 1 . 1 40 40 GLU CA C 13 59.122 0.3 . 1 . . . . A 40 GLU CA . 34550 1 372 . 1 . 1 40 40 GLU CB C 13 29.117 0.3 . 1 . . . . A 40 GLU CB . 34550 1 373 . 1 . 1 40 40 GLU CG C 13 36.599 0.3 . 1 . . . . A 40 GLU CG . 34550 1 374 . 1 . 1 40 40 GLU N N 15 117.831 0.3 . 1 . . . . A 40 GLU N . 34550 1 375 . 1 . 1 41 41 ASP H H 1 7.780 0.020 . 1 . . . . A 41 ASP H . 34550 1 376 . 1 . 1 41 41 ASP HA H 1 4.326 0.020 . 1 . . . . A 41 ASP HA . 34550 1 377 . 1 . 1 41 41 ASP HB2 H 1 2.436 0.020 . 2 . . . . A 41 ASP HB2 . 34550 1 378 . 1 . 1 41 41 ASP HB3 H 1 2.369 0.020 . 2 . . . . A 41 ASP HB3 . 34550 1 379 . 1 . 1 41 41 ASP C C 13 176.238 0.3 . 1 . . . . A 41 ASP C . 34550 1 380 . 1 . 1 41 41 ASP CA C 13 56.718 0.3 . 1 . . . . A 41 ASP CA . 34550 1 381 . 1 . 1 41 41 ASP CB C 13 40.785 0.3 . 1 . . . . A 41 ASP CB . 34550 1 382 . 1 . 1 41 41 ASP N N 15 119.194 0.3 . 1 . . . . A 41 ASP N . 34550 1 383 . 1 . 1 42 42 PHE H H 1 7.742 0.020 . 1 . . . . A 42 PHE H . 34550 1 384 . 1 . 1 42 42 PHE HA H 1 4.581 0.020 . 1 . . . . A 42 PHE HA . 34550 1 385 . 1 . 1 42 42 PHE HB2 H 1 2.802 0.020 . 2 . . . . A 42 PHE HB2 . 34550 1 386 . 1 . 1 42 42 PHE HB3 H 1 3.251 0.020 . 2 . . . . A 42 PHE HB3 . 34550 1 387 . 1 . 1 42 42 PHE HD1 H 1 6.985 0.020 . 1 . . . . A 42 PHE HD1 . 34550 1 388 . 1 . 1 42 42 PHE HD2 H 1 6.985 0.020 . 1 . . . . A 42 PHE HD2 . 34550 1 389 . 1 . 1 42 42 PHE HE1 H 1 6.877 0.020 . 1 . . . . A 42 PHE HE1 . 34550 1 390 . 1 . 1 42 42 PHE HE2 H 1 6.877 0.020 . 1 . . . . A 42 PHE HE2 . 34550 1 391 . 1 . 1 42 42 PHE HZ H 1 6.879 0.020 . 1 . . . . A 42 PHE HZ . 34550 1 392 . 1 . 1 42 42 PHE C C 13 175.443 0.3 . 1 . . . . A 42 PHE C . 34550 1 393 . 1 . 1 42 42 PHE CA C 13 58.775 0.3 . 1 . . . . A 42 PHE CA . 34550 1 394 . 1 . 1 42 42 PHE CB C 13 39.695 0.3 . 1 . . . . A 42 PHE CB . 34550 1 395 . 1 . 1 42 42 PHE CD1 C 13 131.561 0.3 . 1 . . . . A 42 PHE CD1 . 34550 1 396 . 1 . 1 42 42 PHE CE1 C 13 131.190 0.3 . 1 . . . . A 42 PHE CE1 . 34550 1 397 . 1 . 1 42 42 PHE CZ C 13 129.281 0.3 . 1 . . . . A 42 PHE CZ . 34550 1 398 . 1 . 1 42 42 PHE N N 15 117.883 0.3 . 1 . . . . A 42 PHE N . 34550 1 399 . 1 . 1 43 43 ASP H H 1 7.686 0.020 . 1 . . . . A 43 ASP H . 34550 1 400 . 1 . 1 43 43 ASP HA H 1 4.353 0.020 . 1 . . . . A 43 ASP HA . 34550 1 401 . 1 . 1 43 43 ASP HB2 H 1 2.713 0.020 . 2 . . . . A 43 ASP HB2 . 34550 1 402 . 1 . 1 43 43 ASP HB3 H 1 2.622 0.020 . 2 . . . . A 43 ASP HB3 . 34550 1 403 . 1 . 1 43 43 ASP C C 13 176.941 0.3 . 1 . . . . A 43 ASP C . 34550 1 404 . 1 . 1 43 43 ASP CA C 13 58.077 0.3 . 1 . . . . A 43 ASP CA . 34550 1 405 . 1 . 1 43 43 ASP CB C 13 41.886 0.3 . 1 . . . . A 43 ASP CB . 34550 1 406 . 1 . 1 43 43 ASP N N 15 120.080 0.3 . 1 . . . . A 43 ASP N . 34550 1 407 . 1 . 1 44 44 ASP H H 1 8.479 0.020 . 1 . . . . A 44 ASP H . 34550 1 408 . 1 . 1 44 44 ASP HA H 1 4.287 0.020 . 1 . . . . A 44 ASP HA . 34550 1 409 . 1 . 1 44 44 ASP HB2 H 1 2.659 0.020 . 2 . . . . A 44 ASP HB2 . 34550 1 410 . 1 . 1 44 44 ASP HB3 H 1 2.610 0.020 . 2 . . . . A 44 ASP HB3 . 34550 1 411 . 1 . 1 44 44 ASP C C 13 178.163 0.3 . 1 . . . . A 44 ASP C . 34550 1 412 . 1 . 1 44 44 ASP CA C 13 57.765 0.3 . 1 . . . . A 44 ASP CA . 34550 1 413 . 1 . 1 44 44 ASP CB C 13 40.708 0.3 . 1 . . . . A 44 ASP CB . 34550 1 414 . 1 . 1 44 44 ASP N N 15 117.522 0.3 . 1 . . . . A 44 ASP N . 34550 1 415 . 1 . 1 45 45 ILE H H 1 7.800 0.020 . 1 . . . . A 45 ILE H . 34550 1 416 . 1 . 1 45 45 ILE HA H 1 3.709 0.020 . 1 . . . . A 45 ILE HA . 34550 1 417 . 1 . 1 45 45 ILE HB H 1 2.004 0.020 . 1 . . . . A 45 ILE HB . 34550 1 418 . 1 . 1 45 45 ILE HG12 H 1 1.751 0.020 . 2 . . . . A 45 ILE HG12 . 34550 1 419 . 1 . 1 45 45 ILE HG13 H 1 1.125 0.020 . 2 . . . . A 45 ILE HG13 . 34550 1 420 . 1 . 1 45 45 ILE HG21 H 1 0.809 0.020 . 1 . . . . A 45 ILE HG21 . 34550 1 421 . 1 . 1 45 45 ILE HG22 H 1 0.809 0.020 . 1 . . . . A 45 ILE HG22 . 34550 1 422 . 1 . 1 45 45 ILE HG23 H 1 0.809 0.020 . 1 . . . . A 45 ILE HG23 . 34550 1 423 . 1 . 1 45 45 ILE HD11 H 1 0.831 0.020 . 1 . . . . A 45 ILE HD11 . 34550 1 424 . 1 . 1 45 45 ILE HD12 H 1 0.831 0.020 . 1 . . . . A 45 ILE HD12 . 34550 1 425 . 1 . 1 45 45 ILE HD13 H 1 0.831 0.020 . 1 . . . . A 45 ILE HD13 . 34550 1 426 . 1 . 1 45 45 ILE C C 13 177.032 0.3 . 1 . . . . A 45 ILE C . 34550 1 427 . 1 . 1 45 45 ILE CA C 13 65.247 0.3 . 1 . . . . A 45 ILE CA . 34550 1 428 . 1 . 1 45 45 ILE CB C 13 37.799 0.3 . 1 . . . . A 45 ILE CB . 34550 1 429 . 1 . 1 45 45 ILE CG1 C 13 29.063 0.3 . 1 . . . . A 45 ILE CG1 . 34550 1 430 . 1 . 1 45 45 ILE CG2 C 13 16.913 0.3 . 1 . . . . A 45 ILE CG2 . 34550 1 431 . 1 . 1 45 45 ILE CD1 C 13 13.687 0.3 . 1 . . . . A 45 ILE CD1 . 34550 1 432 . 1 . 1 45 45 ILE N N 15 120.393 0.3 . 1 . . . . A 45 ILE N . 34550 1 433 . 1 . 1 46 46 ILE H H 1 7.305 0.020 . 1 . . . . A 46 ILE H . 34550 1 434 . 1 . 1 46 46 ILE HA H 1 3.534 0.020 . 1 . . . . A 46 ILE HA . 34550 1 435 . 1 . 1 46 46 ILE HB H 1 2.002 0.020 . 1 . . . . A 46 ILE HB . 34550 1 436 . 1 . 1 46 46 ILE HG12 H 1 1.101 0.020 . 2 . . . . A 46 ILE HG12 . 34550 1 437 . 1 . 1 46 46 ILE HG13 H 1 1.479 0.020 . 2 . . . . A 46 ILE HG13 . 34550 1 438 . 1 . 1 46 46 ILE HG21 H 1 0.839 0.020 . 1 . . . . A 46 ILE HG21 . 34550 1 439 . 1 . 1 46 46 ILE HG22 H 1 0.839 0.020 . 1 . . . . A 46 ILE HG22 . 34550 1 440 . 1 . 1 46 46 ILE HG23 H 1 0.839 0.020 . 1 . . . . A 46 ILE HG23 . 34550 1 441 . 1 . 1 46 46 ILE HD11 H 1 0.799 0.020 . 1 . . . . A 46 ILE HD11 . 34550 1 442 . 1 . 1 46 46 ILE HD12 H 1 0.799 0.020 . 1 . . . . A 46 ILE HD12 . 34550 1 443 . 1 . 1 46 46 ILE HD13 H 1 0.799 0.020 . 1 . . . . A 46 ILE HD13 . 34550 1 444 . 1 . 1 46 46 ILE C C 13 177.124 0.3 . 1 . . . . A 46 ILE C . 34550 1 445 . 1 . 1 46 46 ILE CA C 13 64.847 0.3 . 1 . . . . A 46 ILE CA . 34550 1 446 . 1 . 1 46 46 ILE CB C 13 37.447 0.3 . 1 . . . . A 46 ILE CB . 34550 1 447 . 1 . 1 46 46 ILE CG1 C 13 29.286 0.3 . 1 . . . . A 46 ILE CG1 . 34550 1 448 . 1 . 1 46 46 ILE CG2 C 13 18.022 0.3 . 1 . . . . A 46 ILE CG2 . 34550 1 449 . 1 . 1 46 46 ILE CD1 C 13 13.396 0.3 . 1 . . . . A 46 ILE CD1 . 34550 1 450 . 1 . 1 46 46 ILE N N 15 119.035 0.3 . 1 . . . . A 46 ILE N . 34550 1 451 . 1 . 1 47 47 GLN H H 1 8.390 0.020 . 1 . . . . A 47 GLN H . 34550 1 452 . 1 . 1 47 47 GLN HA H 1 3.929 0.020 . 1 . . . . A 47 GLN HA . 34550 1 453 . 1 . 1 47 47 GLN HB2 H 1 1.968 0.020 . 2 . . . . A 47 GLN HB2 . 34550 1 454 . 1 . 1 47 47 GLN HB3 H 1 2.103 0.020 . 2 . . . . A 47 GLN HB3 . 34550 1 455 . 1 . 1 47 47 GLN HG2 H 1 2.441 0.020 . 2 . . . . A 47 GLN HG2 . 34550 1 456 . 1 . 1 47 47 GLN HG3 H 1 2.397 0.020 . 2 . . . . A 47 GLN HG3 . 34550 1 457 . 1 . 1 47 47 GLN HE21 H 1 7.644 0.020 . 1 . . . . A 47 GLN HE21 . 34550 1 458 . 1 . 1 47 47 GLN HE22 H 1 6.627 0.020 . 1 . . . . A 47 GLN HE22 . 34550 1 459 . 1 . 1 47 47 GLN C C 13 178.026 0.3 . 1 . . . . A 47 GLN C . 34550 1 460 . 1 . 1 47 47 GLN CA C 13 58.844 0.3 . 1 . . . . A 47 GLN CA . 34550 1 461 . 1 . 1 47 47 GLN CB C 13 28.014 0.3 . 1 . . . . A 47 GLN CB . 34550 1 462 . 1 . 1 47 47 GLN CG C 13 33.632 0.3 . 1 . . . . A 47 GLN CG . 34550 1 463 . 1 . 1 47 47 GLN N N 15 116.908 0.3 . 1 . . . . A 47 GLN N . 34550 1 464 . 1 . 1 47 47 GLN NE2 N 15 112.831 0.3 . 1 . . . . A 47 GLN NE2 . 34550 1 465 . 1 . 1 48 48 SER H H 1 8.033 0.020 . 1 . . . . A 48 SER H . 34550 1 466 . 1 . 1 48 48 SER HA H 1 4.121 0.020 . 1 . . . . A 48 SER HA . 34550 1 467 . 1 . 1 48 48 SER HB2 H 1 3.939 0.020 . 2 . . . . A 48 SER HB2 . 34550 1 468 . 1 . 1 48 48 SER HB3 H 1 3.889 0.020 . 2 . . . . A 48 SER HB3 . 34550 1 469 . 1 . 1 48 48 SER C C 13 175.779 0.3 . 1 . . . . A 48 SER C . 34550 1 470 . 1 . 1 48 48 SER CA C 13 62.056 0.3 . 1 . . . . A 48 SER CA . 34550 1 471 . 1 . 1 48 48 SER CB C 13 63.082 0.3 . 1 . . . . A 48 SER CB . 34550 1 472 . 1 . 1 48 48 SER N N 15 115.098 0.3 . 1 . . . . A 48 SER N . 34550 1 473 . 1 . 1 49 49 LEU H H 1 7.487 0.020 . 1 . . . . A 49 LEU H . 34550 1 474 . 1 . 1 49 49 LEU HA H 1 4.000 0.020 . 1 . . . . A 49 LEU HA . 34550 1 475 . 1 . 1 49 49 LEU HB2 H 1 1.826 0.020 . 2 . . . . A 49 LEU HB2 . 34550 1 476 . 1 . 1 49 49 LEU HB3 H 1 1.616 0.020 . 2 . . . . A 49 LEU HB3 . 34550 1 477 . 1 . 1 49 49 LEU HG H 1 1.753 0.020 . 1 . . . . A 49 LEU HG . 34550 1 478 . 1 . 1 49 49 LEU HD11 H 1 0.790 0.020 . 2 . . . . A 49 LEU HD11 . 34550 1 479 . 1 . 1 49 49 LEU HD12 H 1 0.790 0.020 . 2 . . . . A 49 LEU HD12 . 34550 1 480 . 1 . 1 49 49 LEU HD13 H 1 0.790 0.020 . 2 . . . . A 49 LEU HD13 . 34550 1 481 . 1 . 1 49 49 LEU HD21 H 1 0.854 0.020 . 2 . . . . A 49 LEU HD21 . 34550 1 482 . 1 . 1 49 49 LEU HD22 H 1 0.854 0.020 . 2 . . . . A 49 LEU HD22 . 34550 1 483 . 1 . 1 49 49 LEU HD23 H 1 0.854 0.020 . 2 . . . . A 49 LEU HD23 . 34550 1 484 . 1 . 1 49 49 LEU C C 13 177.537 0.3 . 1 . . . . A 49 LEU C . 34550 1 485 . 1 . 1 49 49 LEU CA C 13 58.259 0.3 . 1 . . . . A 49 LEU CA . 34550 1 486 . 1 . 1 49 49 LEU CB C 13 42.150 0.3 . 1 . . . . A 49 LEU CB . 34550 1 487 . 1 . 1 49 49 LEU CG C 13 27.319 0.3 . 1 . . . . A 49 LEU CG . 34550 1 488 . 1 . 1 49 49 LEU CD1 C 13 24.963 0.3 . 1 . . . . A 49 LEU CD1 . 34550 1 489 . 1 . 1 49 49 LEU CD2 C 13 26.061 0.3 . 1 . . . . A 49 LEU CD2 . 34550 1 490 . 1 . 1 49 49 LEU N N 15 123.137 0.3 . 1 . . . . A 49 LEU N . 34550 1 491 . 1 . 1 50 50 ILE H H 1 7.951 0.020 . 1 . . . . A 50 ILE H . 34550 1 492 . 1 . 1 50 50 ILE HA H 1 3.618 0.020 . 1 . . . . A 50 ILE HA . 34550 1 493 . 1 . 1 50 50 ILE HB H 1 1.872 0.020 . 1 . . . . A 50 ILE HB . 34550 1 494 . 1 . 1 50 50 ILE HG12 H 1 1.088 0.020 . 2 . . . . A 50 ILE HG12 . 34550 1 495 . 1 . 1 50 50 ILE HG13 H 1 1.612 0.020 . 2 . . . . A 50 ILE HG13 . 34550 1 496 . 1 . 1 50 50 ILE HG21 H 1 0.835 0.020 . 1 . . . . A 50 ILE HG21 . 34550 1 497 . 1 . 1 50 50 ILE HG22 H 1 0.835 0.020 . 1 . . . . A 50 ILE HG22 . 34550 1 498 . 1 . 1 50 50 ILE HG23 H 1 0.835 0.020 . 1 . . . . A 50 ILE HG23 . 34550 1 499 . 1 . 1 50 50 ILE HD11 H 1 0.706 0.020 . 1 . . . . A 50 ILE HD11 . 34550 1 500 . 1 . 1 50 50 ILE HD12 H 1 0.706 0.020 . 1 . . . . A 50 ILE HD12 . 34550 1 501 . 1 . 1 50 50 ILE HD13 H 1 0.706 0.020 . 1 . . . . A 50 ILE HD13 . 34550 1 502 . 1 . 1 50 50 ILE C C 13 178.637 0.3 . 1 . . . . A 50 ILE C . 34550 1 503 . 1 . 1 50 50 ILE CA C 13 65.090 0.3 . 1 . . . . A 50 ILE CA . 34550 1 504 . 1 . 1 50 50 ILE CB C 13 38.253 0.3 . 1 . . . . A 50 ILE CB . 34550 1 505 . 1 . 1 50 50 ILE CG1 C 13 28.809 0.3 . 1 . . . . A 50 ILE CG1 . 34550 1 506 . 1 . 1 50 50 ILE CG2 C 13 17.496 0.3 . 1 . . . . A 50 ILE CG2 . 34550 1 507 . 1 . 1 50 50 ILE CD1 C 13 13.440 0.3 . 1 . . . . A 50 ILE CD1 . 34550 1 508 . 1 . 1 50 50 ILE N N 15 119.065 0.3 . 1 . . . . A 50 ILE N . 34550 1 509 . 1 . 1 51 51 GLN H H 1 8.305 0.020 . 1 . . . . A 51 GLN H . 34550 1 510 . 1 . 1 51 51 GLN HA H 1 4.011 0.020 . 1 . . . . A 51 GLN HA . 34550 1 511 . 1 . 1 51 51 GLN HB2 H 1 2.078 0.020 . 2 . . . . A 51 GLN HB2 . 34550 1 512 . 1 . 1 51 51 GLN HB3 H 1 2.057 0.020 . 2 . . . . A 51 GLN HB3 . 34550 1 513 . 1 . 1 51 51 GLN HG2 H 1 2.368 0.020 . 2 . . . . A 51 GLN HG2 . 34550 1 514 . 1 . 1 51 51 GLN HG3 H 1 2.438 0.020 . 2 . . . . A 51 GLN HG3 . 34550 1 515 . 1 . 1 51 51 GLN HE21 H 1 7.011 0.020 . 1 . . . . A 51 GLN HE21 . 34550 1 516 . 1 . 1 51 51 GLN HE22 H 1 6.854 0.020 . 1 . . . . A 51 GLN HE22 . 34550 1 517 . 1 . 1 51 51 GLN C C 13 177.307 0.3 . 1 . . . . A 51 GLN C . 34550 1 518 . 1 . 1 51 51 GLN CA C 13 58.678 0.3 . 1 . . . . A 51 GLN CA . 34550 1 519 . 1 . 1 51 51 GLN CB C 13 28.658 0.3 . 1 . . . . A 51 GLN CB . 34550 1 520 . 1 . 1 51 51 GLN CG C 13 34.258 0.3 . 1 . . . . A 51 GLN CG . 34550 1 521 . 1 . 1 51 51 GLN N N 15 119.918 0.3 . 1 . . . . A 51 GLN N . 34550 1 522 . 1 . 1 51 51 GLN NE2 N 15 109.757 0.3 . 1 . . . . A 51 GLN NE2 . 34550 1 523 . 1 . 1 52 52 ALA H H 1 7.671 0.020 . 1 . . . . A 52 ALA H . 34550 1 524 . 1 . 1 52 52 ALA HA H 1 4.093 0.020 . 1 . . . . A 52 ALA HA . 34550 1 525 . 1 . 1 52 52 ALA HB1 H 1 1.341 0.020 . 1 . . . . A 52 ALA HB1 . 34550 1 526 . 1 . 1 52 52 ALA HB2 H 1 1.341 0.020 . 1 . . . . A 52 ALA HB2 . 34550 1 527 . 1 . 1 52 52 ALA HB3 H 1 1.341 0.020 . 1 . . . . A 52 ALA HB3 . 34550 1 528 . 1 . 1 52 52 ALA C C 13 177.873 0.3 . 1 . . . . A 52 ALA C . 34550 1 529 . 1 . 1 52 52 ALA CA C 13 54.588 0.3 . 1 . . . . A 52 ALA CA . 34550 1 530 . 1 . 1 52 52 ALA CB C 13 18.738 0.3 . 1 . . . . A 52 ALA CB . 34550 1 531 . 1 . 1 52 52 ALA N N 15 121.234 0.3 . 1 . . . . A 52 ALA N . 34550 1 532 . 1 . 1 53 53 GLN H H 1 7.704 0.020 . 1 . . . . A 53 GLN H . 34550 1 533 . 1 . 1 53 53 GLN HA H 1 4.019 0.020 . 1 . . . . A 53 GLN HA . 34550 1 534 . 1 . 1 53 53 GLN HB2 H 1 2.155 0.020 . 2 . . . . A 53 GLN HB2 . 34550 1 535 . 1 . 1 53 53 GLN HB3 H 1 2.051 0.020 . 2 . . . . A 53 GLN HB3 . 34550 1 536 . 1 . 1 53 53 GLN HG2 H 1 2.401 0.020 . 2 . . . . A 53 GLN HG2 . 34550 1 537 . 1 . 1 53 53 GLN HG3 H 1 2.354 0.020 . 2 . . . . A 53 GLN HG3 . 34550 1 538 . 1 . 1 53 53 GLN HE21 H 1 7.375 0.020 . 1 . . . . A 53 GLN HE21 . 34550 1 539 . 1 . 1 53 53 GLN HE22 H 1 6.736 0.020 . 1 . . . . A 53 GLN HE22 . 34550 1 540 . 1 . 1 53 53 GLN C C 13 175.917 0.3 . 1 . . . . A 53 GLN C . 34550 1 541 . 1 . 1 53 53 GLN CA C 13 57.606 0.3 . 1 . . . . A 53 GLN CA . 34550 1 542 . 1 . 1 53 53 GLN CB C 13 29.306 0.3 . 1 . . . . A 53 GLN CB . 34550 1 543 . 1 . 1 53 53 GLN CG C 13 34.352 0.3 . 1 . . . . A 53 GLN CG . 34550 1 544 . 1 . 1 53 53 GLN N N 15 115.592 0.3 . 1 . . . . A 53 GLN N . 34550 1 545 . 1 . 1 53 53 GLN NE2 N 15 111.633 0.3 . 1 . . . . A 53 GLN NE2 . 34550 1 546 . 1 . 1 54 54 SER H H 1 7.729 0.020 . 1 . . . . A 54 SER H . 34550 1 547 . 1 . 1 54 54 SER HA H 1 4.333 0.020 . 1 . . . . A 54 SER HA . 34550 1 548 . 1 . 1 54 54 SER HB2 H 1 3.878 0.020 . 1 . . . . A 54 SER HB2 . 34550 1 549 . 1 . 1 54 54 SER HB3 H 1 3.878 0.020 . 1 . . . . A 54 SER HB3 . 34550 1 550 . 1 . 1 54 54 SER C C 13 173.960 0.3 . 1 . . . . A 54 SER C . 34550 1 551 . 1 . 1 54 54 SER CA C 13 59.395 0.3 . 1 . . . . A 54 SER CA . 34550 1 552 . 1 . 1 54 54 SER CB C 13 63.986 0.3 . 1 . . . . A 54 SER CB . 34550 1 553 . 1 . 1 54 54 SER N N 15 113.624 0.3 . 1 . . . . A 54 SER N . 34550 1 554 . 1 . 1 55 55 MET H H 1 7.800 0.020 . 1 . . . . A 55 MET H . 34550 1 555 . 1 . 1 55 55 MET HA H 1 4.374 0.020 . 1 . . . . A 55 MET HA . 34550 1 556 . 1 . 1 55 55 MET HB2 H 1 2.014 0.020 . 2 . . . . A 55 MET HB2 . 34550 1 557 . 1 . 1 55 55 MET HB3 H 1 1.983 0.020 . 2 . . . . A 55 MET HB3 . 34550 1 558 . 1 . 1 55 55 MET HG2 H 1 2.567 0.020 . 2 . . . . A 55 MET HG2 . 34550 1 559 . 1 . 1 55 55 MET HG3 H 1 2.488 0.020 . 2 . . . . A 55 MET HG3 . 34550 1 560 . 1 . 1 55 55 MET HE1 H 1 1.810 0.020 . 1 . . . . A 55 MET HE1 . 34550 1 561 . 1 . 1 55 55 MET HE2 H 1 1.810 0.020 . 1 . . . . A 55 MET HE2 . 34550 1 562 . 1 . 1 55 55 MET HE3 H 1 1.810 0.020 . 1 . . . . A 55 MET HE3 . 34550 1 563 . 1 . 1 55 55 MET C C 13 175.794 0.3 . 1 . . . . A 55 MET C . 34550 1 564 . 1 . 1 55 55 MET CA C 13 56.236 0.3 . 1 . . . . A 55 MET CA . 34550 1 565 . 1 . 1 55 55 MET CB C 13 33.256 0.3 . 1 . . . . A 55 MET CB . 34550 1 566 . 1 . 1 55 55 MET CG C 13 32.352 0.3 . 1 . . . . A 55 MET CG . 34550 1 567 . 1 . 1 55 55 MET CE C 13 17.579 0.3 . 1 . . . . A 55 MET CE . 34550 1 568 . 1 . 1 55 55 MET N N 15 120.782 0.3 . 1 . . . . A 55 MET N . 34550 1 569 . 1 . 1 56 56 GLY H H 1 8.211 0.020 . 1 . . . . A 56 GLY H . 34550 1 570 . 1 . 1 56 56 GLY HA2 H 1 3.940 0.020 . 2 . . . . A 56 GLY HA2 . 34550 1 571 . 1 . 1 56 56 GLY HA3 H 1 3.847 0.020 . 2 . . . . A 56 GLY HA3 . 34550 1 572 . 1 . 1 56 56 GLY CA C 13 45.866 0.3 . 1 . . . . A 56 GLY CA . 34550 1 573 . 1 . 1 56 56 GLY N N 15 108.817 0.3 . 1 . . . . A 56 GLY N . 34550 1 574 . 1 . 1 57 57 LYS HA H 1 4.224 0.020 . 1 . . . . A 57 LYS HA . 34550 1 575 . 1 . 1 57 57 LYS HB2 H 1 1.717 0.020 . 2 . . . . A 57 LYS HB2 . 34550 1 576 . 1 . 1 57 57 LYS HB3 H 1 1.810 0.020 . 2 . . . . A 57 LYS HB3 . 34550 1 577 . 1 . 1 57 57 LYS HG2 H 1 1.355 0.020 . 2 . . . . A 57 LYS HG2 . 34550 1 578 . 1 . 1 57 57 LYS HG3 H 1 1.410 0.020 . 2 . . . . A 57 LYS HG3 . 34550 1 579 . 1 . 1 57 57 LYS HD2 H 1 1.623 0.020 . 1 . . . . A 57 LYS HD2 . 34550 1 580 . 1 . 1 57 57 LYS HD3 H 1 1.623 0.020 . 1 . . . . A 57 LYS HD3 . 34550 1 581 . 1 . 1 57 57 LYS HE2 H 1 2.929 0.020 . 1 . . . . A 57 LYS HE2 . 34550 1 582 . 1 . 1 57 57 LYS HE3 H 1 2.929 0.020 . 1 . . . . A 57 LYS HE3 . 34550 1 583 . 1 . 1 57 57 LYS CA C 13 57.034 0.3 . 1 . . . . A 57 LYS CA . 34550 1 584 . 1 . 1 57 57 LYS CB C 13 32.937 0.3 . 1 . . . . A 57 LYS CB . 34550 1 585 . 1 . 1 57 57 LYS CG C 13 25.045 0.3 . 1 . . . . A 57 LYS CG . 34550 1 586 . 1 . 1 57 57 LYS CD C 13 29.363 0.3 . 1 . . . . A 57 LYS CD . 34550 1 587 . 1 . 1 57 57 LYS CE C 13 42.431 0.3 . 1 . . . . A 57 LYS CE . 34550 1 588 . 1 . 1 59 59 ARG HA H 1 4.183 0.020 . 1 . . . . A 59 ARG HA . 34550 1 589 . 1 . 1 59 59 ARG HB2 H 1 1.640 0.020 . 2 . . . . A 59 ARG HB2 . 34550 1 590 . 1 . 1 59 59 ARG HB3 H 1 1.696 0.020 . 2 . . . . A 59 ARG HB3 . 34550 1 591 . 1 . 1 59 59 ARG HG2 H 1 1.433 0.020 . 1 . . . . A 59 ARG HG2 . 34550 1 592 . 1 . 1 59 59 ARG HG3 H 1 1.433 0.020 . 1 . . . . A 59 ARG HG3 . 34550 1 593 . 1 . 1 59 59 ARG HD2 H 1 3.094 0.020 . 1 . . . . A 59 ARG HD2 . 34550 1 594 . 1 . 1 59 59 ARG HD3 H 1 3.094 0.020 . 1 . . . . A 59 ARG HD3 . 34550 1 595 . 1 . 1 59 59 ARG CA C 13 56.772 0.3 . 1 . . . . A 59 ARG CA . 34550 1 596 . 1 . 1 59 59 ARG CB C 13 30.831 0.3 . 1 . . . . A 59 ARG CB . 34550 1 597 . 1 . 1 59 59 ARG CG C 13 27.265 0.3 . 1 . . . . A 59 ARG CG . 34550 1 598 . 1 . 1 59 59 ARG CD C 13 43.592 0.3 . 1 . . . . A 59 ARG CD . 34550 1 599 . 1 . 1 60 60 HIS HA H 1 4.605 0.020 . 1 . . . . A 60 HIS HA . 34550 1 600 . 1 . 1 60 60 HIS HB2 H 1 2.988 0.020 . 2 . . . . A 60 HIS HB2 . 34550 1 601 . 1 . 1 60 60 HIS HB3 H 1 3.110 0.020 . 2 . . . . A 60 HIS HB3 . 34550 1 602 . 1 . 1 60 60 HIS HD2 H 1 6.925 0.020 . 1 . . . . A 60 HIS HD2 . 34550 1 603 . 1 . 1 60 60 HIS HE1 H 1 7.712 0.020 . 1 . . . . A 60 HIS HE1 . 34550 1 604 . 1 . 1 60 60 HIS CB C 13 31.377 0.3 . 1 . . . . A 60 HIS CB . 34550 1 605 . 1 . 1 60 60 HIS CD2 C 13 120.074 0.3 . 1 . . . . A 60 HIS CD2 . 34550 1 606 . 1 . 1 60 60 HIS CE1 C 13 138.774 0.3 . 1 . . . . A 60 HIS CE1 . 34550 1 607 . 1 . 1 62 62 THR HA H 1 3.983 0.020 . 1 . . . . A 62 THR HA . 34550 1 608 . 1 . 1 62 62 THR HB H 1 4.246 0.020 . 1 . . . . A 62 THR HB . 34550 1 609 . 1 . 1 62 62 THR HG21 H 1 1.251 0.020 . 1 . . . . A 62 THR HG21 . 34550 1 610 . 1 . 1 62 62 THR HG22 H 1 1.251 0.020 . 1 . . . . A 62 THR HG22 . 34550 1 611 . 1 . 1 62 62 THR HG23 H 1 1.251 0.020 . 1 . . . . A 62 THR HG23 . 34550 1 612 . 1 . 1 62 62 THR C C 13 175.382 0.3 . 1 . . . . A 62 THR C . 34550 1 613 . 1 . 1 62 62 THR CA C 13 65.047 0.3 . 1 . . . . A 62 THR CA . 34550 1 614 . 1 . 1 62 62 THR CB C 13 69.620 0.3 . 1 . . . . A 62 THR CB . 34550 1 615 . 1 . 1 62 62 THR CG2 C 13 22.442 0.3 . 1 . . . . A 62 THR CG2 . 34550 1 616 . 1 . 1 63 63 LYS H H 1 8.298 0.020 . 1 . . . . A 63 LYS H . 34550 1 617 . 1 . 1 63 63 LYS HA H 1 4.065 0.020 . 1 . . . . A 63 LYS HA . 34550 1 618 . 1 . 1 63 63 LYS HB2 H 1 1.840 0.020 . 2 . . . . A 63 LYS HB2 . 34550 1 619 . 1 . 1 63 63 LYS HB3 H 1 1.802 0.020 . 2 . . . . A 63 LYS HB3 . 34550 1 620 . 1 . 1 63 63 LYS HG2 H 1 1.364 0.020 . 2 . . . . A 63 LYS HG2 . 34550 1 621 . 1 . 1 63 63 LYS HG3 H 1 1.388 0.020 . 2 . . . . A 63 LYS HG3 . 34550 1 622 . 1 . 1 63 63 LYS HD2 H 1 1.630 0.020 . 2 . . . . A 63 LYS HD2 . 34550 1 623 . 1 . 1 63 63 LYS HD3 H 1 1.645 0.020 . 2 . . . . A 63 LYS HD3 . 34550 1 624 . 1 . 1 63 63 LYS HE2 H 1 2.938 0.020 . 1 . . . . A 63 LYS HE2 . 34550 1 625 . 1 . 1 63 63 LYS HE3 H 1 2.938 0.020 . 1 . . . . A 63 LYS HE3 . 34550 1 626 . 1 . 1 63 63 LYS C C 13 177.705 0.3 . 1 . . . . A 63 LYS C . 34550 1 627 . 1 . 1 63 63 LYS CA C 13 59.355 0.3 . 1 . . . . A 63 LYS CA . 34550 1 628 . 1 . 1 63 63 LYS CB C 13 32.313 0.3 . 1 . . . . A 63 LYS CB . 34550 1 629 . 1 . 1 63 63 LYS CG C 13 25.384 0.3 . 1 . . . . A 63 LYS CG . 34550 1 630 . 1 . 1 63 63 LYS CD C 13 29.479 0.3 . 1 . . . . A 63 LYS CD . 34550 1 631 . 1 . 1 63 63 LYS CE C 13 42.386 0.3 . 1 . . . . A 63 LYS CE . 34550 1 632 . 1 . 1 63 63 LYS N N 15 122.585 0.3 . 1 . . . . A 63 LYS N . 34550 1 633 . 1 . 1 64 64 ALA H H 1 8.029 0.020 . 1 . . . . A 64 ALA H . 34550 1 634 . 1 . 1 64 64 ALA HA H 1 4.076 0.020 . 1 . . . . A 64 ALA HA . 34550 1 635 . 1 . 1 64 64 ALA HB1 H 1 1.376 0.020 . 1 . . . . A 64 ALA HB1 . 34550 1 636 . 1 . 1 64 64 ALA HB2 H 1 1.376 0.020 . 1 . . . . A 64 ALA HB2 . 34550 1 637 . 1 . 1 64 64 ALA HB3 H 1 1.376 0.020 . 1 . . . . A 64 ALA HB3 . 34550 1 638 . 1 . 1 64 64 ALA C C 13 179.600 0.3 . 1 . . . . A 64 ALA C . 34550 1 639 . 1 . 1 64 64 ALA CA C 13 54.789 0.3 . 1 . . . . A 64 ALA CA . 34550 1 640 . 1 . 1 64 64 ALA CB C 13 18.836 0.3 . 1 . . . . A 64 ALA CB . 34550 1 641 . 1 . 1 64 64 ALA N N 15 122.714 0.3 . 1 . . . . A 64 ALA N . 34550 1 642 . 1 . 1 65 65 LYS H H 1 8.053 0.020 . 1 . . . . A 65 LYS H . 34550 1 643 . 1 . 1 65 65 LYS HA H 1 3.958 0.020 . 1 . . . . A 65 LYS HA . 34550 1 644 . 1 . 1 65 65 LYS HB2 H 1 1.814 0.020 . 1 . . . . A 65 LYS HB2 . 34550 1 645 . 1 . 1 65 65 LYS HB3 H 1 1.814 0.020 . 1 . . . . A 65 LYS HB3 . 34550 1 646 . 1 . 1 65 65 LYS HG2 H 1 1.394 0.020 . 2 . . . . A 65 LYS HG2 . 34550 1 647 . 1 . 1 65 65 LYS HG3 H 1 1.493 0.020 . 2 . . . . A 65 LYS HG3 . 34550 1 648 . 1 . 1 65 65 LYS HD2 H 1 1.635 0.020 . 1 . . . . A 65 LYS HD2 . 34550 1 649 . 1 . 1 65 65 LYS HD3 H 1 1.635 0.020 . 1 . . . . A 65 LYS HD3 . 34550 1 650 . 1 . 1 65 65 LYS HE2 H 1 2.937 0.020 . 1 . . . . A 65 LYS HE2 . 34550 1 651 . 1 . 1 65 65 LYS HE3 H 1 2.937 0.020 . 1 . . . . A 65 LYS HE3 . 34550 1 652 . 1 . 1 65 65 LYS C C 13 177.124 0.3 . 1 . . . . A 65 LYS C . 34550 1 653 . 1 . 1 65 65 LYS CA C 13 59.334 0.3 . 1 . . . . A 65 LYS CA . 34550 1 654 . 1 . 1 65 65 LYS CB C 13 32.520 0.3 . 1 . . . . A 65 LYS CB . 34550 1 655 . 1 . 1 65 65 LYS CG C 13 25.501 0.3 . 1 . . . . A 65 LYS CG . 34550 1 656 . 1 . 1 65 65 LYS CD C 13 29.420 0.3 . 1 . . . . A 65 LYS CD . 34550 1 657 . 1 . 1 65 65 LYS CE C 13 42.558 0.3 . 1 . . . . A 65 LYS CE . 34550 1 658 . 1 . 1 65 65 LYS N N 15 119.901 0.3 . 1 . . . . A 65 LYS N . 34550 1 659 . 1 . 1 66 66 ALA H H 1 7.952 0.020 . 1 . . . . A 66 ALA H . 34550 1 660 . 1 . 1 66 66 ALA HA H 1 4.020 0.020 . 1 . . . . A 66 ALA HA . 34550 1 661 . 1 . 1 66 66 ALA HB1 H 1 1.367 0.020 . 1 . . . . A 66 ALA HB1 . 34550 1 662 . 1 . 1 66 66 ALA HB2 H 1 1.367 0.020 . 1 . . . . A 66 ALA HB2 . 34550 1 663 . 1 . 1 66 66 ALA HB3 H 1 1.367 0.020 . 1 . . . . A 66 ALA HB3 . 34550 1 664 . 1 . 1 66 66 ALA C C 13 179.218 0.3 . 1 . . . . A 66 ALA C . 34550 1 665 . 1 . 1 66 66 ALA CA C 13 55.530 0.3 . 1 . . . . A 66 ALA CA . 34550 1 666 . 1 . 1 66 66 ALA CB C 13 18.611 0.3 . 1 . . . . A 66 ALA CB . 34550 1 667 . 1 . 1 66 66 ALA N N 15 121.905 0.3 . 1 . . . . A 66 ALA N . 34550 1 668 . 1 . 1 67 67 LYS H H 1 7.808 0.020 . 1 . . . . A 67 LYS H . 34550 1 669 . 1 . 1 67 67 LYS HA H 1 3.976 0.020 . 1 . . . . A 67 LYS HA . 34550 1 670 . 1 . 1 67 67 LYS HB2 H 1 1.806 0.020 . 1 . . . . A 67 LYS HB2 . 34550 1 671 . 1 . 1 67 67 LYS HB3 H 1 1.806 0.020 . 1 . . . . A 67 LYS HB3 . 34550 1 672 . 1 . 1 67 67 LYS HG2 H 1 1.399 0.020 . 1 . . . . A 67 LYS HG2 . 34550 1 673 . 1 . 1 67 67 LYS HG3 H 1 1.399 0.020 . 1 . . . . A 67 LYS HG3 . 34550 1 674 . 1 . 1 67 67 LYS HD2 H 1 1.568 0.020 . 2 . . . . A 67 LYS HD2 . 34550 1 675 . 1 . 1 67 67 LYS HD3 H 1 1.620 0.020 . 2 . . . . A 67 LYS HD3 . 34550 1 676 . 1 . 1 67 67 LYS HE2 H 1 2.833 0.020 . 1 . . . . A 67 LYS HE2 . 34550 1 677 . 1 . 1 67 67 LYS HE3 H 1 2.833 0.020 . 1 . . . . A 67 LYS HE3 . 34550 1 678 . 1 . 1 67 67 LYS C C 13 176.941 0.3 . 1 . . . . A 67 LYS C . 34550 1 679 . 1 . 1 67 67 LYS CA C 13 58.473 0.3 . 1 . . . . A 67 LYS CA . 34550 1 680 . 1 . 1 67 67 LYS CB C 13 32.109 0.3 . 1 . . . . A 67 LYS CB . 34550 1 681 . 1 . 1 67 67 LYS CG C 13 24.833 0.3 . 1 . . . . A 67 LYS CG . 34550 1 682 . 1 . 1 67 67 LYS CD C 13 28.787 0.3 . 1 . . . . A 67 LYS CD . 34550 1 683 . 1 . 1 67 67 LYS CE C 13 42.304 0.3 . 1 . . . . A 67 LYS CE . 34550 1 684 . 1 . 1 67 67 LYS N N 15 118.384 0.3 . 1 . . . . A 67 LYS N . 34550 1 685 . 1 . 1 68 68 ALA H H 1 7.852 0.020 . 1 . . . . A 68 ALA H . 34550 1 686 . 1 . 1 68 68 ALA HA H 1 3.984 0.020 . 1 . . . . A 68 ALA HA . 34550 1 687 . 1 . 1 68 68 ALA HB1 H 1 1.408 0.020 . 1 . . . . A 68 ALA HB1 . 34550 1 688 . 1 . 1 68 68 ALA HB2 H 1 1.408 0.020 . 1 . . . . A 68 ALA HB2 . 34550 1 689 . 1 . 1 68 68 ALA HB3 H 1 1.408 0.020 . 1 . . . . A 68 ALA HB3 . 34550 1 690 . 1 . 1 68 68 ALA C C 13 180.364 0.3 . 1 . . . . A 68 ALA C . 34550 1 691 . 1 . 1 68 68 ALA CA C 13 55.232 0.3 . 1 . . . . A 68 ALA CA . 34550 1 692 . 1 . 1 68 68 ALA CB C 13 18.328 0.3 . 1 . . . . A 68 ALA CB . 34550 1 693 . 1 . 1 68 68 ALA N N 15 120.670 0.3 . 1 . . . . A 68 ALA N . 34550 1 694 . 1 . 1 69 69 MET H H 1 8.067 0.020 . 1 . . . . A 69 MET H . 34550 1 695 . 1 . 1 69 69 MET HA H 1 3.828 0.020 . 1 . . . . A 69 MET HA . 34550 1 696 . 1 . 1 69 69 MET HB2 H 1 2.025 0.020 . 1 . . . . A 69 MET HB2 . 34550 1 697 . 1 . 1 69 69 MET HB3 H 1 2.025 0.020 . 1 . . . . A 69 MET HB3 . 34550 1 698 . 1 . 1 69 69 MET HG2 H 1 2.318 0.020 . 2 . . . . A 69 MET HG2 . 34550 1 699 . 1 . 1 69 69 MET HG3 H 1 2.266 0.020 . 2 . . . . A 69 MET HG3 . 34550 1 700 . 1 . 1 69 69 MET HE1 H 1 1.811 0.020 . 1 . . . . A 69 MET HE1 . 34550 1 701 . 1 . 1 69 69 MET HE2 H 1 1.811 0.020 . 1 . . . . A 69 MET HE2 . 34550 1 702 . 1 . 1 69 69 MET HE3 H 1 1.811 0.020 . 1 . . . . A 69 MET HE3 . 34550 1 703 . 1 . 1 69 69 MET C C 13 175.886 0.3 . 1 . . . . A 69 MET C . 34550 1 704 . 1 . 1 69 69 MET CA C 13 59.484 0.3 . 1 . . . . A 69 MET CA . 34550 1 705 . 1 . 1 69 69 MET CB C 13 33.553 0.3 . 1 . . . . A 69 MET CB . 34550 1 706 . 1 . 1 69 69 MET CG C 13 32.596 0.3 . 1 . . . . A 69 MET CG . 34550 1 707 . 1 . 1 69 69 MET CE C 13 17.621 0.3 . 1 . . . . A 69 MET CE . 34550 1 708 . 1 . 1 69 69 MET N N 15 117.812 0.3 . 1 . . . . A 69 MET N . 34550 1 709 . 1 . 1 70 70 GLN H H 1 7.848 0.020 . 1 . . . . A 70 GLN H . 34550 1 710 . 1 . 1 70 70 GLN HA H 1 3.352 0.020 . 1 . . . . A 70 GLN HA . 34550 1 711 . 1 . 1 70 70 GLN HB2 H 1 1.925 0.020 . 2 . . . . A 70 GLN HB2 . 34550 1 712 . 1 . 1 70 70 GLN HB3 H 1 1.898 0.020 . 2 . . . . A 70 GLN HB3 . 34550 1 713 . 1 . 1 70 70 GLN HG2 H 1 1.938 0.020 . 2 . . . . A 70 GLN HG2 . 34550 1 714 . 1 . 1 70 70 GLN HG3 H 1 1.782 0.020 . 2 . . . . A 70 GLN HG3 . 34550 1 715 . 1 . 1 70 70 GLN HE21 H 1 6.843 0.020 . 1 . . . . A 70 GLN HE21 . 34550 1 716 . 1 . 1 70 70 GLN HE22 H 1 7.237 0.020 . 1 . . . . A 70 GLN HE22 . 34550 1 717 . 1 . 1 70 70 GLN C C 13 176.788 0.3 . 1 . . . . A 70 GLN C . 34550 1 718 . 1 . 1 70 70 GLN CA C 13 60.357 0.3 . 1 . . . . A 70 GLN CA . 34550 1 719 . 1 . 1 70 70 GLN CB C 13 29.026 0.3 . 1 . . . . A 70 GLN CB . 34550 1 720 . 1 . 1 70 70 GLN CG C 13 34.695 0.3 . 1 . . . . A 70 GLN CG . 34550 1 721 . 1 . 1 70 70 GLN N N 15 119.685 0.3 . 1 . . . . A 70 GLN N . 34550 1 722 . 1 . 1 70 70 GLN NE2 N 15 112.453 0.3 . 1 . . . . A 70 GLN NE2 . 34550 1 723 . 1 . 1 71 71 VAL H H 1 8.158 0.020 . 1 . . . . A 71 VAL H . 34550 1 724 . 1 . 1 71 71 VAL HA H 1 3.528 0.020 . 1 . . . . A 71 VAL HA . 34550 1 725 . 1 . 1 71 71 VAL HB H 1 1.992 0.020 . 1 . . . . A 71 VAL HB . 34550 1 726 . 1 . 1 71 71 VAL HG11 H 1 0.981 0.020 . 2 . . . . A 71 VAL HG11 . 34550 1 727 . 1 . 1 71 71 VAL HG12 H 1 0.981 0.020 . 2 . . . . A 71 VAL HG12 . 34550 1 728 . 1 . 1 71 71 VAL HG13 H 1 0.981 0.020 . 2 . . . . A 71 VAL HG13 . 34550 1 729 . 1 . 1 71 71 VAL HG21 H 1 0.869 0.020 . 2 . . . . A 71 VAL HG21 . 34550 1 730 . 1 . 1 71 71 VAL HG22 H 1 0.869 0.020 . 2 . . . . A 71 VAL HG22 . 34550 1 731 . 1 . 1 71 71 VAL HG23 H 1 0.869 0.020 . 2 . . . . A 71 VAL HG23 . 34550 1 732 . 1 . 1 71 71 VAL C C 13 177.690 0.3 . 1 . . . . A 71 VAL C . 34550 1 733 . 1 . 1 71 71 VAL CA C 13 66.756 0.3 . 1 . . . . A 71 VAL CA . 34550 1 734 . 1 . 1 71 71 VAL CB C 13 32.045 0.3 . 1 . . . . A 71 VAL CB . 34550 1 735 . 1 . 1 71 71 VAL CG1 C 13 23.214 0.3 . 1 . . . . A 71 VAL CG1 . 34550 1 736 . 1 . 1 71 71 VAL CG2 C 13 21.326 0.3 . 1 . . . . A 71 VAL CG2 . 34550 1 737 . 1 . 1 71 71 VAL N N 15 118.306 0.3 . 1 . . . . A 71 VAL N . 34550 1 738 . 1 . 1 72 72 ALA H H 1 7.860 0.020 . 1 . . . . A 72 ALA H . 34550 1 739 . 1 . 1 72 72 ALA HA H 1 4.065 0.020 . 1 . . . . A 72 ALA HA . 34550 1 740 . 1 . 1 72 72 ALA HB1 H 1 1.352 0.020 . 1 . . . . A 72 ALA HB1 . 34550 1 741 . 1 . 1 72 72 ALA HB2 H 1 1.352 0.020 . 1 . . . . A 72 ALA HB2 . 34550 1 742 . 1 . 1 72 72 ALA HB3 H 1 1.352 0.020 . 1 . . . . A 72 ALA HB3 . 34550 1 743 . 1 . 1 72 72 ALA C C 13 179.585 0.3 . 1 . . . . A 72 ALA C . 34550 1 744 . 1 . 1 72 72 ALA CA C 13 55.366 0.3 . 1 . . . . A 72 ALA CA . 34550 1 745 . 1 . 1 72 72 ALA CB C 13 18.858 0.3 . 1 . . . . A 72 ALA CB . 34550 1 746 . 1 . 1 72 72 ALA N N 15 123.625 0.3 . 1 . . . . A 72 ALA N . 34550 1 747 . 1 . 1 73 73 LEU H H 1 8.352 0.020 . 1 . . . . A 73 LEU H . 34550 1 748 . 1 . 1 73 73 LEU HA H 1 4.114 0.020 . 1 . . . . A 73 LEU HA . 34550 1 749 . 1 . 1 73 73 LEU HB2 H 1 1.857 0.020 . 2 . . . . A 73 LEU HB2 . 34550 1 750 . 1 . 1 73 73 LEU HB3 H 1 1.695 0.020 . 2 . . . . A 73 LEU HB3 . 34550 1 751 . 1 . 1 73 73 LEU HG H 1 1.612 0.020 . 1 . . . . A 73 LEU HG . 34550 1 752 . 1 . 1 73 73 LEU HD11 H 1 0.879 0.020 . 2 . . . . A 73 LEU HD11 . 34550 1 753 . 1 . 1 73 73 LEU HD12 H 1 0.879 0.020 . 2 . . . . A 73 LEU HD12 . 34550 1 754 . 1 . 1 73 73 LEU HD13 H 1 0.879 0.020 . 2 . . . . A 73 LEU HD13 . 34550 1 755 . 1 . 1 73 73 LEU HD21 H 1 0.819 0.020 . 2 . . . . A 73 LEU HD21 . 34550 1 756 . 1 . 1 73 73 LEU HD22 H 1 0.819 0.020 . 2 . . . . A 73 LEU HD22 . 34550 1 757 . 1 . 1 73 73 LEU HD23 H 1 0.819 0.020 . 2 . . . . A 73 LEU HD23 . 34550 1 758 . 1 . 1 73 73 LEU C C 13 177.399 0.3 . 1 . . . . A 73 LEU C . 34550 1 759 . 1 . 1 73 73 LEU CA C 13 58.057 0.3 . 1 . . . . A 73 LEU CA . 34550 1 760 . 1 . 1 73 73 LEU CB C 13 42.383 0.3 . 1 . . . . A 73 LEU CB . 34550 1 761 . 1 . 1 73 73 LEU CG C 13 27.417 0.3 . 1 . . . . A 73 LEU CG . 34550 1 762 . 1 . 1 73 73 LEU CD1 C 13 26.444 0.3 . 1 . . . . A 73 LEU CD1 . 34550 1 763 . 1 . 1 73 73 LEU CD2 C 13 24.593 0.3 . 1 . . . . A 73 LEU CD2 . 34550 1 764 . 1 . 1 73 73 LEU N N 15 119.320 0.3 . 1 . . . . A 73 LEU N . 34550 1 765 . 1 . 1 74 74 ALA H H 1 8.543 0.020 . 1 . . . . A 74 ALA H . 34550 1 766 . 1 . 1 74 74 ALA HA H 1 3.788 0.020 . 1 . . . . A 74 ALA HA . 34550 1 767 . 1 . 1 74 74 ALA HB1 H 1 1.366 0.020 . 1 . . . . A 74 ALA HB1 . 34550 1 768 . 1 . 1 74 74 ALA HB2 H 1 1.366 0.020 . 1 . . . . A 74 ALA HB2 . 34550 1 769 . 1 . 1 74 74 ALA HB3 H 1 1.366 0.020 . 1 . . . . A 74 ALA HB3 . 34550 1 770 . 1 . 1 74 74 ALA C C 13 177.949 0.3 . 1 . . . . A 74 ALA C . 34550 1 771 . 1 . 1 74 74 ALA CA C 13 56.026 0.3 . 1 . . . . A 74 ALA CA . 34550 1 772 . 1 . 1 74 74 ALA CB C 13 19.591 0.3 . 1 . . . . A 74 ALA CB . 34550 1 773 . 1 . 1 74 74 ALA N N 15 120.018 0.3 . 1 . . . . A 74 ALA N . 34550 1 774 . 1 . 1 75 75 SER H H 1 8.254 0.020 . 1 . . . . A 75 SER H . 34550 1 775 . 1 . 1 75 75 SER HA H 1 4.051 0.020 . 1 . . . . A 75 SER HA . 34550 1 776 . 1 . 1 75 75 SER HB2 H 1 3.957 0.020 . 2 . . . . A 75 SER HB2 . 34550 1 777 . 1 . 1 75 75 SER HB3 H 1 3.896 0.020 . 2 . . . . A 75 SER HB3 . 34550 1 778 . 1 . 1 75 75 SER C C 13 175.718 0.3 . 1 . . . . A 75 SER C . 34550 1 779 . 1 . 1 75 75 SER CA C 13 62.403 0.3 . 1 . . . . A 75 SER CA . 34550 1 780 . 1 . 1 75 75 SER CB C 13 63.379 0.3 . 1 . . . . A 75 SER CB . 34550 1 781 . 1 . 1 75 75 SER N N 15 111.561 0.3 . 1 . . . . A 75 SER N . 34550 1 782 . 1 . 1 76 76 SER H H 1 7.986 0.020 . 1 . . . . A 76 SER H . 34550 1 783 . 1 . 1 76 76 SER HA H 1 4.236 0.020 . 1 . . . . A 76 SER HA . 34550 1 784 . 1 . 1 76 76 SER HB2 H 1 3.957 0.020 . 2 . . . . A 76 SER HB2 . 34550 1 785 . 1 . 1 76 76 SER HB3 H 1 3.887 0.020 . 2 . . . . A 76 SER HB3 . 34550 1 786 . 1 . 1 76 76 SER C C 13 176.253 0.3 . 1 . . . . A 76 SER C . 34550 1 787 . 1 . 1 76 76 SER CA C 13 62.805 0.3 . 1 . . . . A 76 SER CA . 34550 1 788 . 1 . 1 76 76 SER CB C 13 63.848 0.3 . 1 . . . . A 76 SER CB . 34550 1 789 . 1 . 1 76 76 SER N N 15 117.560 0.3 . 1 . . . . A 76 SER N . 34550 1 790 . 1 . 1 77 77 ILE H H 1 8.323 0.020 . 1 . . . . A 77 ILE H . 34550 1 791 . 1 . 1 77 77 ILE HA H 1 3.582 0.020 . 1 . . . . A 77 ILE HA . 34550 1 792 . 1 . 1 77 77 ILE HB H 1 1.806 0.020 . 1 . . . . A 77 ILE HB . 34550 1 793 . 1 . 1 77 77 ILE HG12 H 1 0.815 0.020 . 2 . . . . A 77 ILE HG12 . 34550 1 794 . 1 . 1 77 77 ILE HG13 H 1 1.989 0.020 . 2 . . . . A 77 ILE HG13 . 34550 1 795 . 1 . 1 77 77 ILE HG21 H 1 0.825 0.020 . 1 . . . . A 77 ILE HG21 . 34550 1 796 . 1 . 1 77 77 ILE HG22 H 1 0.825 0.020 . 1 . . . . A 77 ILE HG22 . 34550 1 797 . 1 . 1 77 77 ILE HG23 H 1 0.825 0.020 . 1 . . . . A 77 ILE HG23 . 34550 1 798 . 1 . 1 77 77 ILE HD11 H 1 0.498 0.020 . 1 . . . . A 77 ILE HD11 . 34550 1 799 . 1 . 1 77 77 ILE HD12 H 1 0.498 0.020 . 1 . . . . A 77 ILE HD12 . 34550 1 800 . 1 . 1 77 77 ILE HD13 H 1 0.498 0.020 . 1 . . . . A 77 ILE HD13 . 34550 1 801 . 1 . 1 77 77 ILE C C 13 173.731 0.3 . 1 . . . . A 77 ILE C . 34550 1 802 . 1 . 1 77 77 ILE CA C 13 65.749 0.3 . 1 . . . . A 77 ILE CA . 34550 1 803 . 1 . 1 77 77 ILE CB C 13 38.048 0.3 . 1 . . . . A 77 ILE CB . 34550 1 804 . 1 . 1 77 77 ILE CG1 C 13 29.656 0.3 . 1 . . . . A 77 ILE CG1 . 34550 1 805 . 1 . 1 77 77 ILE CG2 C 13 19.550 0.3 . 1 . . . . A 77 ILE CG2 . 34550 1 806 . 1 . 1 77 77 ILE CD1 C 13 14.643 0.3 . 1 . . . . A 77 ILE CD1 . 34550 1 807 . 1 . 1 77 77 ILE N N 15 121.918 0.3 . 1 . . . . A 77 ILE N . 34550 1 808 . 1 . 1 78 78 ALA H H 1 8.482 0.020 . 1 . . . . A 78 ALA H . 34550 1 809 . 1 . 1 78 78 ALA HA H 1 3.834 0.020 . 1 . . . . A 78 ALA HA . 34550 1 810 . 1 . 1 78 78 ALA HB1 H 1 1.392 0.020 . 1 . . . . A 78 ALA HB1 . 34550 1 811 . 1 . 1 78 78 ALA HB2 H 1 1.392 0.020 . 1 . . . . A 78 ALA HB2 . 34550 1 812 . 1 . 1 78 78 ALA HB3 H 1 1.392 0.020 . 1 . . . . A 78 ALA HB3 . 34550 1 813 . 1 . 1 78 78 ALA C C 13 178.102 0.3 . 1 . . . . A 78 ALA C . 34550 1 814 . 1 . 1 78 78 ALA CA C 13 55.986 0.3 . 1 . . . . A 78 ALA CA . 34550 1 815 . 1 . 1 78 78 ALA CB C 13 18.941 0.3 . 1 . . . . A 78 ALA CB . 34550 1 816 . 1 . 1 78 78 ALA N N 15 122.195 0.3 . 1 . . . . A 78 ALA N . 34550 1 817 . 1 . 1 79 79 GLU H H 1 7.860 0.020 . 1 . . . . A 79 GLU H . 34550 1 818 . 1 . 1 79 79 GLU HA H 1 3.863 0.020 . 1 . . . . A 79 GLU HA . 34550 1 819 . 1 . 1 79 79 GLU HB2 H 1 2.011 0.020 . 2 . . . . A 79 GLU HB2 . 34550 1 820 . 1 . 1 79 79 GLU HB3 H 1 2.044 0.020 . 2 . . . . A 79 GLU HB3 . 34550 1 821 . 1 . 1 79 79 GLU HG2 H 1 2.411 0.020 . 2 . . . . A 79 GLU HG2 . 34550 1 822 . 1 . 1 79 79 GLU HG3 H 1 2.219 0.020 . 2 . . . . A 79 GLU HG3 . 34550 1 823 . 1 . 1 79 79 GLU C C 13 177.949 0.3 . 1 . . . . A 79 GLU C . 34550 1 824 . 1 . 1 79 79 GLU CA C 13 59.602 0.3 . 1 . . . . A 79 GLU CA . 34550 1 825 . 1 . 1 79 79 GLU CB C 13 29.893 0.3 . 1 . . . . A 79 GLU CB . 34550 1 826 . 1 . 1 79 79 GLU CG C 13 36.754 0.3 . 1 . . . . A 79 GLU CG . 34550 1 827 . 1 . 1 79 79 GLU N N 15 114.606 0.3 . 1 . . . . A 79 GLU N . 34550 1 828 . 1 . 1 80 80 LEU H H 1 7.555 0.020 . 1 . . . . A 80 LEU H . 34550 1 829 . 1 . 1 80 80 LEU HA H 1 4.214 0.020 . 1 . . . . A 80 LEU HA . 34550 1 830 . 1 . 1 80 80 LEU HB2 H 1 1.828 0.020 . 2 . . . . A 80 LEU HB2 . 34550 1 831 . 1 . 1 80 80 LEU HB3 H 1 1.705 0.020 . 2 . . . . A 80 LEU HB3 . 34550 1 832 . 1 . 1 80 80 LEU HG H 1 1.528 0.020 . 1 . . . . A 80 LEU HG . 34550 1 833 . 1 . 1 80 80 LEU HD11 H 1 0.746 0.020 . 2 . . . . A 80 LEU HD11 . 34550 1 834 . 1 . 1 80 80 LEU HD12 H 1 0.746 0.020 . 2 . . . . A 80 LEU HD12 . 34550 1 835 . 1 . 1 80 80 LEU HD13 H 1 0.746 0.020 . 2 . . . . A 80 LEU HD13 . 34550 1 836 . 1 . 1 80 80 LEU HD21 H 1 0.436 0.020 . 2 . . . . A 80 LEU HD21 . 34550 1 837 . 1 . 1 80 80 LEU HD22 H 1 0.436 0.020 . 2 . . . . A 80 LEU HD22 . 34550 1 838 . 1 . 1 80 80 LEU HD23 H 1 0.436 0.020 . 2 . . . . A 80 LEU HD23 . 34550 1 839 . 1 . 1 80 80 LEU C C 13 177.521 0.3 . 1 . . . . A 80 LEU C . 34550 1 840 . 1 . 1 80 80 LEU CA C 13 58.082 0.3 . 1 . . . . A 80 LEU CA . 34550 1 841 . 1 . 1 80 80 LEU CB C 13 42.306 0.3 . 1 . . . . A 80 LEU CB . 34550 1 842 . 1 . 1 80 80 LEU CG C 13 27.406 0.3 . 1 . . . . A 80 LEU CG . 34550 1 843 . 1 . 1 80 80 LEU CD1 C 13 24.805 0.3 . 1 . . . . A 80 LEU CD1 . 34550 1 844 . 1 . 1 80 80 LEU CD2 C 13 24.705 0.3 . 1 . . . . A 80 LEU CD2 . 34550 1 845 . 1 . 1 80 80 LEU N N 15 119.961 0.3 . 1 . . . . A 80 LEU N . 34550 1 846 . 1 . 1 81 81 VAL H H 1 7.957 0.020 . 1 . . . . A 81 VAL H . 34550 1 847 . 1 . 1 81 81 VAL HA H 1 3.582 0.020 . 1 . . . . A 81 VAL HA . 34550 1 848 . 1 . 1 81 81 VAL HB H 1 2.181 0.020 . 1 . . . . A 81 VAL HB . 34550 1 849 . 1 . 1 81 81 VAL HG11 H 1 0.969 0.020 . 2 . . . . A 81 VAL HG11 . 34550 1 850 . 1 . 1 81 81 VAL HG12 H 1 0.969 0.020 . 2 . . . . A 81 VAL HG12 . 34550 1 851 . 1 . 1 81 81 VAL HG13 H 1 0.969 0.020 . 2 . . . . A 81 VAL HG13 . 34550 1 852 . 1 . 1 81 81 VAL HG21 H 1 0.854 0.020 . 2 . . . . A 81 VAL HG21 . 34550 1 853 . 1 . 1 81 81 VAL HG22 H 1 0.854 0.020 . 2 . . . . A 81 VAL HG22 . 34550 1 854 . 1 . 1 81 81 VAL HG23 H 1 0.854 0.020 . 2 . . . . A 81 VAL HG23 . 34550 1 855 . 1 . 1 81 81 VAL C C 13 176.879 0.3 . 1 . . . . A 81 VAL C . 34550 1 856 . 1 . 1 81 81 VAL CA C 13 66.684 0.3 . 1 . . . . A 81 VAL CA . 34550 1 857 . 1 . 1 81 81 VAL CB C 13 32.109 0.3 . 1 . . . . A 81 VAL CB . 34550 1 858 . 1 . 1 81 81 VAL CG1 C 13 23.633 0.3 . 1 . . . . A 81 VAL CG1 . 34550 1 859 . 1 . 1 81 81 VAL CG2 C 13 22.179 0.3 . 1 . . . . A 81 VAL CG2 . 34550 1 860 . 1 . 1 81 81 VAL N N 15 116.331 0.3 . 1 . . . . A 81 VAL N . 34550 1 861 . 1 . 1 82 82 ILE H H 1 7.967 0.020 . 1 . . . . A 82 ILE H . 34550 1 862 . 1 . 1 82 82 ILE HA H 1 3.781 0.020 . 1 . . . . A 82 ILE HA . 34550 1 863 . 1 . 1 82 82 ILE HB H 1 1.980 0.020 . 1 . . . . A 82 ILE HB . 34550 1 864 . 1 . 1 82 82 ILE HG12 H 1 1.446 0.020 . 2 . . . . A 82 ILE HG12 . 34550 1 865 . 1 . 1 82 82 ILE HG13 H 1 1.338 0.020 . 2 . . . . A 82 ILE HG13 . 34550 1 866 . 1 . 1 82 82 ILE HG21 H 1 0.859 0.020 . 1 . . . . A 82 ILE HG21 . 34550 1 867 . 1 . 1 82 82 ILE HG22 H 1 0.859 0.020 . 1 . . . . A 82 ILE HG22 . 34550 1 868 . 1 . 1 82 82 ILE HG23 H 1 0.859 0.020 . 1 . . . . A 82 ILE HG23 . 34550 1 869 . 1 . 1 82 82 ILE HD11 H 1 0.739 0.020 . 1 . . . . A 82 ILE HD11 . 34550 1 870 . 1 . 1 82 82 ILE HD12 H 1 0.739 0.020 . 1 . . . . A 82 ILE HD12 . 34550 1 871 . 1 . 1 82 82 ILE HD13 H 1 0.739 0.020 . 1 . . . . A 82 ILE HD13 . 34550 1 872 . 1 . 1 82 82 ILE C C 13 177.078 0.3 . 1 . . . . A 82 ILE C . 34550 1 873 . 1 . 1 82 82 ILE CA C 13 63.327 0.3 . 1 . . . . A 82 ILE CA . 34550 1 874 . 1 . 1 82 82 ILE CB C 13 37.565 0.3 . 1 . . . . A 82 ILE CB . 34550 1 875 . 1 . 1 82 82 ILE CG1 C 13 28.447 0.3 . 1 . . . . A 82 ILE CG1 . 34550 1 876 . 1 . 1 82 82 ILE CG2 C 13 17.957 0.3 . 1 . . . . A 82 ILE CG2 . 34550 1 877 . 1 . 1 82 82 ILE CD1 C 13 12.500 0.3 . 1 . . . . A 82 ILE CD1 . 34550 1 878 . 1 . 1 82 82 ILE N N 15 118.371 0.3 . 1 . . . . A 82 ILE N . 34550 1 879 . 1 . 1 83 83 ALA H H 1 7.936 0.020 . 1 . . . . A 83 ALA H . 34550 1 880 . 1 . 1 83 83 ALA HA H 1 4.146 0.020 . 1 . . . . A 83 ALA HA . 34550 1 881 . 1 . 1 83 83 ALA HB1 H 1 1.511 0.020 . 1 . . . . A 83 ALA HB1 . 34550 1 882 . 1 . 1 83 83 ALA HB2 H 1 1.511 0.020 . 1 . . . . A 83 ALA HB2 . 34550 1 883 . 1 . 1 83 83 ALA HB3 H 1 1.511 0.020 . 1 . . . . A 83 ALA HB3 . 34550 1 884 . 1 . 1 83 83 ALA C C 13 178.469 0.3 . 1 . . . . A 83 ALA C . 34550 1 885 . 1 . 1 83 83 ALA CA C 13 54.726 0.3 . 1 . . . . A 83 ALA CA . 34550 1 886 . 1 . 1 83 83 ALA CB C 13 18.906 0.3 . 1 . . . . A 83 ALA CB . 34550 1 887 . 1 . 1 83 83 ALA N N 15 122.646 0.3 . 1 . . . . A 83 ALA N . 34550 1 888 . 1 . 1 84 84 GLU H H 1 7.988 0.020 . 1 . . . . A 84 GLU H . 34550 1 889 . 1 . 1 84 84 GLU HA H 1 4.281 0.020 . 1 . . . . A 84 GLU HA . 34550 1 890 . 1 . 1 84 84 GLU HB2 H 1 2.253 0.020 . 2 . . . . A 84 GLU HB2 . 34550 1 891 . 1 . 1 84 84 GLU HB3 H 1 1.962 0.020 . 2 . . . . A 84 GLU HB3 . 34550 1 892 . 1 . 1 84 84 GLU HG2 H 1 2.345 0.020 . 2 . . . . A 84 GLU HG2 . 34550 1 893 . 1 . 1 84 84 GLU HG3 H 1 2.302 0.020 . 2 . . . . A 84 GLU HG3 . 34550 1 894 . 1 . 1 84 84 GLU C C 13 176.100 0.3 . 1 . . . . A 84 GLU C . 34550 1 895 . 1 . 1 84 84 GLU CA C 13 56.935 0.3 . 1 . . . . A 84 GLU CA . 34550 1 896 . 1 . 1 84 84 GLU CB C 13 30.219 0.3 . 1 . . . . A 84 GLU CB . 34550 1 897 . 1 . 1 84 84 GLU CG C 13 36.567 0.3 . 1 . . . . A 84 GLU CG . 34550 1 898 . 1 . 1 84 84 GLU N N 15 116.246 0.3 . 1 . . . . A 84 GLU N . 34550 1 899 . 1 . 1 85 85 SER H H 1 7.791 0.020 . 1 . . . . A 85 SER H . 34550 1 900 . 1 . 1 85 85 SER HA H 1 4.541 0.020 . 1 . . . . A 85 SER HA . 34550 1 901 . 1 . 1 85 85 SER HB2 H 1 3.836 0.020 . 1 . . . . A 85 SER HB2 . 34550 1 902 . 1 . 1 85 85 SER HB3 H 1 3.836 0.020 . 1 . . . . A 85 SER HB3 . 34550 1 903 . 1 . 1 85 85 SER C C 13 173.838 0.3 . 1 . . . . A 85 SER C . 34550 1 904 . 1 . 1 85 85 SER CA C 13 59.394 0.3 . 1 . . . . A 85 SER CA . 34550 1 905 . 1 . 1 85 85 SER CB C 13 64.219 0.3 . 1 . . . . A 85 SER CB . 34550 1 906 . 1 . 1 85 85 SER N N 15 115.032 0.3 . 1 . . . . A 85 SER N . 34550 1 907 . 1 . 1 86 86 SER H H 1 8.542 0.020 . 1 . . . . A 86 SER H . 34550 1 908 . 1 . 1 86 86 SER HA H 1 4.455 0.020 . 1 . . . . A 86 SER HA . 34550 1 909 . 1 . 1 86 86 SER HB2 H 1 3.882 0.020 . 1 . . . . A 86 SER HB2 . 34550 1 910 . 1 . 1 86 86 SER HB3 H 1 3.882 0.020 . 1 . . . . A 86 SER HB3 . 34550 1 911 . 1 . 1 86 86 SER C C 13 174.388 0.3 . 1 . . . . A 86 SER C . 34550 1 912 . 1 . 1 86 86 SER CA C 13 58.828 0.3 . 1 . . . . A 86 SER CA . 34550 1 913 . 1 . 1 86 86 SER CB C 13 64.314 0.3 . 1 . . . . A 86 SER CB . 34550 1 914 . 1 . 1 86 86 SER N N 15 117.882 0.3 . 1 . . . . A 86 SER N . 34550 1 915 . 1 . 1 87 87 GLY H H 1 8.582 0.020 . 1 . . . . A 87 GLY H . 34550 1 916 . 1 . 1 87 87 GLY HA2 H 1 4.015 0.020 . 2 . . . . A 87 GLY HA2 . 34550 1 917 . 1 . 1 87 87 GLY HA3 H 1 3.858 0.020 . 2 . . . . A 87 GLY HA3 . 34550 1 918 . 1 . 1 87 87 GLY C C 13 174.403 0.3 . 1 . . . . A 87 GLY C . 34550 1 919 . 1 . 1 87 87 GLY CA C 13 46.230 0.3 . 1 . . . . A 87 GLY CA . 34550 1 920 . 1 . 1 87 87 GLY N N 15 110.827 0.3 . 1 . . . . A 87 GLY N . 34550 1 921 . 1 . 1 88 88 GLY H H 1 8.397 0.020 . 1 . . . . A 88 GLY H . 34550 1 922 . 1 . 1 88 88 GLY HA2 H 1 3.890 0.020 . 2 . . . . A 88 GLY HA2 . 34550 1 923 . 1 . 1 88 88 GLY HA3 H 1 3.848 0.020 . 2 . . . . A 88 GLY HA3 . 34550 1 924 . 1 . 1 88 88 GLY C C 13 173.395 0.3 . 1 . . . . A 88 GLY C . 34550 1 925 . 1 . 1 88 88 GLY CA C 13 45.726 0.3 . 1 . . . . A 88 GLY CA . 34550 1 926 . 1 . 1 88 88 GLY N N 15 109.684 0.3 . 1 . . . . A 88 GLY N . 34550 1 927 . 1 . 1 89 89 ASP H H 1 8.305 0.020 . 1 . . . . A 89 ASP H . 34550 1 928 . 1 . 1 89 89 ASP HA H 1 4.723 0.020 . 1 . . . . A 89 ASP HA . 34550 1 929 . 1 . 1 89 89 ASP HB2 H 1 2.709 0.020 . 2 . . . . A 89 ASP HB2 . 34550 1 930 . 1 . 1 89 89 ASP HB3 H 1 2.629 0.020 . 2 . . . . A 89 ASP HB3 . 34550 1 931 . 1 . 1 89 89 ASP C C 13 175.917 0.3 . 1 . . . . A 89 ASP C . 34550 1 932 . 1 . 1 89 89 ASP CA C 13 54.288 0.3 . 1 . . . . A 89 ASP CA . 34550 1 933 . 1 . 1 89 89 ASP CB C 13 41.456 0.3 . 1 . . . . A 89 ASP CB . 34550 1 934 . 1 . 1 89 89 ASP N N 15 120.021 0.3 . 1 . . . . A 89 ASP N . 34550 1 935 . 1 . 1 90 90 VAL H H 1 8.043 0.020 . 1 . . . . A 90 VAL H . 34550 1 936 . 1 . 1 90 90 VAL HA H 1 3.722 0.020 . 1 . . . . A 90 VAL HA . 34550 1 937 . 1 . 1 90 90 VAL HB H 1 2.071 0.020 . 1 . . . . A 90 VAL HB . 34550 1 938 . 1 . 1 90 90 VAL HG11 H 1 0.913 0.020 . 2 . . . . A 90 VAL HG11 . 34550 1 939 . 1 . 1 90 90 VAL HG12 H 1 0.913 0.020 . 2 . . . . A 90 VAL HG12 . 34550 1 940 . 1 . 1 90 90 VAL HG13 H 1 0.913 0.020 . 2 . . . . A 90 VAL HG13 . 34550 1 941 . 1 . 1 90 90 VAL HG21 H 1 0.816 0.020 . 2 . . . . A 90 VAL HG21 . 34550 1 942 . 1 . 1 90 90 VAL HG22 H 1 0.816 0.020 . 2 . . . . A 90 VAL HG22 . 34550 1 943 . 1 . 1 90 90 VAL HG23 H 1 0.816 0.020 . 2 . . . . A 90 VAL HG23 . 34550 1 944 . 1 . 1 90 90 VAL C C 13 177.659 0.3 . 1 . . . . A 90 VAL C . 34550 1 945 . 1 . 1 90 90 VAL CA C 13 66.068 0.3 . 1 . . . . A 90 VAL CA . 34550 1 946 . 1 . 1 90 90 VAL CB C 13 32.092 0.3 . 1 . . . . A 90 VAL CB . 34550 1 947 . 1 . 1 90 90 VAL CG1 C 13 22.488 0.3 . 1 . . . . A 90 VAL CG1 . 34550 1 948 . 1 . 1 90 90 VAL CG2 C 13 21.090 0.3 . 1 . . . . A 90 VAL CG2 . 34550 1 949 . 1 . 1 90 90 VAL N N 15 121.151 0.3 . 1 . . . . A 90 VAL N . 34550 1 950 . 1 . 1 91 91 GLN H H 1 8.515 0.020 . 1 . . . . A 91 GLN H . 34550 1 951 . 1 . 1 91 91 GLN HA H 1 3.949 0.020 . 1 . . . . A 91 GLN HA . 34550 1 952 . 1 . 1 91 91 GLN HB2 H 1 2.094 0.020 . 2 . . . . A 91 GLN HB2 . 34550 1 953 . 1 . 1 91 91 GLN HB3 H 1 2.062 0.020 . 2 . . . . A 91 GLN HB3 . 34550 1 954 . 1 . 1 91 91 GLN HG2 H 1 2.327 0.020 . 1 . . . . A 91 GLN HG2 . 34550 1 955 . 1 . 1 91 91 GLN HG3 H 1 2.327 0.020 . 1 . . . . A 91 GLN HG3 . 34550 1 956 . 1 . 1 91 91 GLN HE21 H 1 7.448 0.020 . 1 . . . . A 91 GLN HE21 . 34550 1 957 . 1 . 1 91 91 GLN HE22 H 1 6.880 0.020 . 1 . . . . A 91 GLN HE22 . 34550 1 958 . 1 . 1 91 91 GLN C C 13 177.109 0.3 . 1 . . . . A 91 GLN C . 34550 1 959 . 1 . 1 91 91 GLN CA C 13 59.768 0.3 . 1 . . . . A 91 GLN CA . 34550 1 960 . 1 . 1 91 91 GLN CB C 13 28.483 0.3 . 1 . . . . A 91 GLN CB . 34550 1 961 . 1 . 1 91 91 GLN CG C 13 34.288 0.3 . 1 . . . . A 91 GLN CG . 34550 1 962 . 1 . 1 91 91 GLN N N 15 123.190 0.3 . 1 . . . . A 91 GLN N . 34550 1 963 . 1 . 1 91 91 GLN NE2 N 15 113.064 0.3 . 1 . . . . A 91 GLN NE2 . 34550 1 964 . 1 . 1 92 92 ARG H H 1 8.053 0.020 . 1 . . . . A 92 ARG H . 34550 1 965 . 1 . 1 92 92 ARG HA H 1 4.053 0.020 . 1 . . . . A 92 ARG HA . 34550 1 966 . 1 . 1 92 92 ARG HB2 H 1 1.855 0.020 . 2 . . . . A 92 ARG HB2 . 34550 1 967 . 1 . 1 92 92 ARG HB3 H 1 1.801 0.020 . 2 . . . . A 92 ARG HB3 . 34550 1 968 . 1 . 1 92 92 ARG HG2 H 1 1.397 0.020 . 2 . . . . A 92 ARG HG2 . 34550 1 969 . 1 . 1 92 92 ARG HG3 H 1 1.598 0.020 . 2 . . . . A 92 ARG HG3 . 34550 1 970 . 1 . 1 92 92 ARG HD2 H 1 3.112 0.020 . 2 . . . . A 92 ARG HD2 . 34550 1 971 . 1 . 1 92 92 ARG HD3 H 1 3.243 0.020 . 2 . . . . A 92 ARG HD3 . 34550 1 972 . 1 . 1 92 92 ARG C C 13 178.454 0.3 . 1 . . . . A 92 ARG C . 34550 1 973 . 1 . 1 92 92 ARG CA C 13 59.692 0.3 . 1 . . . . A 92 ARG CA . 34550 1 974 . 1 . 1 92 92 ARG CB C 13 30.210 0.3 . 1 . . . . A 92 ARG CB . 34550 1 975 . 1 . 1 92 92 ARG CG C 13 27.974 0.3 . 1 . . . . A 92 ARG CG . 34550 1 976 . 1 . 1 92 92 ARG CD C 13 43.436 0.3 . 1 . . . . A 92 ARG CD . 34550 1 977 . 1 . 1 92 92 ARG N N 15 120.859 0.3 . 1 . . . . A 92 ARG N . 34550 1 978 . 1 . 1 93 93 LYS H H 1 8.182 0.020 . 1 . . . . A 93 LYS H . 34550 1 979 . 1 . 1 93 93 LYS HA H 1 3.788 0.020 . 1 . . . . A 93 LYS HA . 34550 1 980 . 1 . 1 93 93 LYS HB2 H 1 1.958 0.020 . 2 . . . . A 93 LYS HB2 . 34550 1 981 . 1 . 1 93 93 LYS HB3 H 1 1.714 0.020 . 2 . . . . A 93 LYS HB3 . 34550 1 982 . 1 . 1 93 93 LYS HG2 H 1 1.529 0.020 . 2 . . . . A 93 LYS HG2 . 34550 1 983 . 1 . 1 93 93 LYS HG3 H 1 1.129 0.020 . 2 . . . . A 93 LYS HG3 . 34550 1 984 . 1 . 1 93 93 LYS HD2 H 1 1.382 0.020 . 1 . . . . A 93 LYS HD2 . 34550 1 985 . 1 . 1 93 93 LYS HD3 H 1 1.382 0.020 . 1 . . . . A 93 LYS HD3 . 34550 1 986 . 1 . 1 93 93 LYS HE2 H 1 2.651 0.020 . 2 . . . . A 93 LYS HE2 . 34550 1 987 . 1 . 1 93 93 LYS HE3 H 1 2.778 0.020 . 2 . . . . A 93 LYS HE3 . 34550 1 988 . 1 . 1 93 93 LYS C C 13 177.751 0.3 . 1 . . . . A 93 LYS C . 34550 1 989 . 1 . 1 93 93 LYS CA C 13 60.268 0.3 . 1 . . . . A 93 LYS CA . 34550 1 990 . 1 . 1 93 93 LYS CB C 13 33.059 0.3 . 1 . . . . A 93 LYS CB . 34550 1 991 . 1 . 1 93 93 LYS CG C 13 27.409 0.3 . 1 . . . . A 93 LYS CG . 34550 1 992 . 1 . 1 93 93 LYS CD C 13 29.128 0.3 . 1 . . . . A 93 LYS CD . 34550 1 993 . 1 . 1 93 93 LYS CE C 13 42.774 0.3 . 1 . . . . A 93 LYS CE . 34550 1 994 . 1 . 1 93 93 LYS N N 15 116.900 0.3 . 1 . . . . A 93 LYS N . 34550 1 995 . 1 . 1 94 94 THR H H 1 8.475 0.020 . 1 . . . . A 94 THR H . 34550 1 996 . 1 . 1 94 94 THR HA H 1 4.293 0.020 . 1 . . . . A 94 THR HA . 34550 1 997 . 1 . 1 94 94 THR HB H 1 3.743 0.020 . 1 . . . . A 94 THR HB . 34550 1 998 . 1 . 1 94 94 THR HG21 H 1 1.154 0.020 . 1 . . . . A 94 THR HG21 . 34550 1 999 . 1 . 1 94 94 THR HG22 H 1 1.154 0.020 . 1 . . . . A 94 THR HG22 . 34550 1 1000 . 1 . 1 94 94 THR HG23 H 1 1.154 0.020 . 1 . . . . A 94 THR HG23 . 34550 1 1001 . 1 . 1 94 94 THR C C 13 175.962 0.3 . 1 . . . . A 94 THR C . 34550 1 1002 . 1 . 1 94 94 THR CA C 13 68.273 0.3 . 1 . . . . A 94 THR CA . 34550 1 1003 . 1 . 1 94 94 THR CB C 13 68.017 0.3 . 1 . . . . A 94 THR CB . 34550 1 1004 . 1 . 1 94 94 THR CG2 C 13 21.504 0.3 . 1 . . . . A 94 THR CG2 . 34550 1 1005 . 1 . 1 94 94 THR N N 15 116.243 0.3 . 1 . . . . A 94 THR N . 34550 1 1006 . 1 . 1 95 95 ASN H H 1 8.236 0.020 . 1 . . . . A 95 ASN H . 34550 1 1007 . 1 . 1 95 95 ASN HA H 1 4.437 0.020 . 1 . . . . A 95 ASN HA . 34550 1 1008 . 1 . 1 95 95 ASN HB2 H 1 2.999 0.020 . 2 . . . . A 95 ASN HB2 . 34550 1 1009 . 1 . 1 95 95 ASN HB3 H 1 2.870 0.020 . 2 . . . . A 95 ASN HB3 . 34550 1 1010 . 1 . 1 95 95 ASN HD21 H 1 6.943 0.020 . 1 . . . . A 95 ASN HD21 . 34550 1 1011 . 1 . 1 95 95 ASN HD22 H 1 7.600 0.020 . 1 . . . . A 95 ASN HD22 . 34550 1 1012 . 1 . 1 95 95 ASN C C 13 176.803 0.3 . 1 . . . . A 95 ASN C . 34550 1 1013 . 1 . 1 95 95 ASN CA C 13 56.965 0.3 . 1 . . . . A 95 ASN CA . 34550 1 1014 . 1 . 1 95 95 ASN CB C 13 38.219 0.3 . 1 . . . . A 95 ASN CB . 34550 1 1015 . 1 . 1 95 95 ASN N N 15 123.795 0.3 . 1 . . . . A 95 ASN N . 34550 1 1016 . 1 . 1 95 95 ASN ND2 N 15 112.239 0.3 . 1 . . . . A 95 ASN ND2 . 34550 1 1017 . 1 . 1 96 96 VAL H H 1 8.031 0.020 . 1 . . . . A 96 VAL H . 34550 1 1018 . 1 . 1 96 96 VAL HA H 1 3.782 0.020 . 1 . . . . A 96 VAL HA . 34550 1 1019 . 1 . 1 96 96 VAL HB H 1 2.291 0.020 . 1 . . . . A 96 VAL HB . 34550 1 1020 . 1 . 1 96 96 VAL HG11 H 1 1.065 0.020 . 2 . . . . A 96 VAL HG11 . 34550 1 1021 . 1 . 1 96 96 VAL HG12 H 1 1.065 0.020 . 2 . . . . A 96 VAL HG12 . 34550 1 1022 . 1 . 1 96 96 VAL HG13 H 1 1.065 0.020 . 2 . . . . A 96 VAL HG13 . 34550 1 1023 . 1 . 1 96 96 VAL HG21 H 1 1.086 0.020 . 2 . . . . A 96 VAL HG21 . 34550 1 1024 . 1 . 1 96 96 VAL HG22 H 1 1.086 0.020 . 2 . . . . A 96 VAL HG22 . 34550 1 1025 . 1 . 1 96 96 VAL HG23 H 1 1.086 0.020 . 2 . . . . A 96 VAL HG23 . 34550 1 1026 . 1 . 1 96 96 VAL C C 13 178.515 0.3 . 1 . . . . A 96 VAL C . 34550 1 1027 . 1 . 1 96 96 VAL CA C 13 66.864 0.3 . 1 . . . . A 96 VAL CA . 34550 1 1028 . 1 . 1 96 96 VAL CB C 13 32.032 0.3 . 1 . . . . A 96 VAL CB . 34550 1 1029 . 1 . 1 96 96 VAL CG1 C 13 21.555 0.3 . 1 . . . . A 96 VAL CG1 . 34550 1 1030 . 1 . 1 96 96 VAL CG2 C 13 22.881 0.3 . 1 . . . . A 96 VAL CG2 . 34550 1 1031 . 1 . 1 96 96 VAL N N 15 120.666 0.3 . 1 . . . . A 96 VAL N . 34550 1 1032 . 1 . 1 97 97 ILE H H 1 8.434 0.020 . 1 . . . . A 97 ILE H . 34550 1 1033 . 1 . 1 97 97 ILE HA H 1 3.806 0.020 . 1 . . . . A 97 ILE HA . 34550 1 1034 . 1 . 1 97 97 ILE HB H 1 2.180 0.020 . 1 . . . . A 97 ILE HB . 34550 1 1035 . 1 . 1 97 97 ILE HG12 H 1 1.321 0.020 . 2 . . . . A 97 ILE HG12 . 34550 1 1036 . 1 . 1 97 97 ILE HG13 H 1 1.679 0.020 . 2 . . . . A 97 ILE HG13 . 34550 1 1037 . 1 . 1 97 97 ILE HG21 H 1 0.990 0.020 . 1 . . . . A 97 ILE HG21 . 34550 1 1038 . 1 . 1 97 97 ILE HG22 H 1 0.990 0.020 . 1 . . . . A 97 ILE HG22 . 34550 1 1039 . 1 . 1 97 97 ILE HG23 H 1 0.990 0.020 . 1 . . . . A 97 ILE HG23 . 34550 1 1040 . 1 . 1 97 97 ILE HD11 H 1 0.663 0.020 . 1 . . . . A 97 ILE HD11 . 34550 1 1041 . 1 . 1 97 97 ILE HD12 H 1 0.663 0.020 . 1 . . . . A 97 ILE HD12 . 34550 1 1042 . 1 . 1 97 97 ILE HD13 H 1 0.663 0.020 . 1 . . . . A 97 ILE HD13 . 34550 1 1043 . 1 . 1 97 97 ILE C C 13 176.788 0.3 . 1 . . . . A 97 ILE C . 34550 1 1044 . 1 . 1 97 97 ILE CA C 13 64.640 0.3 . 1 . . . . A 97 ILE CA . 34550 1 1045 . 1 . 1 97 97 ILE CB C 13 37.410 0.3 . 1 . . . . A 97 ILE CB . 34550 1 1046 . 1 . 1 97 97 ILE CG1 C 13 30.200 0.3 . 1 . . . . A 97 ILE CG1 . 34550 1 1047 . 1 . 1 97 97 ILE CG2 C 13 18.887 0.3 . 1 . . . . A 97 ILE CG2 . 34550 1 1048 . 1 . 1 97 97 ILE CD1 C 13 13.735 0.3 . 1 . . . . A 97 ILE CD1 . 34550 1 1049 . 1 . 1 97 97 ILE N N 15 120.350 0.3 . 1 . . . . A 97 ILE N . 34550 1 1050 . 1 . 1 98 98 SER H H 1 8.611 0.020 . 1 . . . . A 98 SER H . 34550 1 1051 . 1 . 1 98 98 SER HA H 1 4.087 0.020 . 1 . . . . A 98 SER HA . 34550 1 1052 . 1 . 1 98 98 SER HB2 H 1 3.700 0.020 . 2 . . . . A 98 SER HB2 . 34550 1 1053 . 1 . 1 98 98 SER HB3 H 1 4.064 0.020 . 2 . . . . A 98 SER HB3 . 34550 1 1054 . 1 . 1 98 98 SER C C 13 174.770 0.3 . 1 . . . . A 98 SER C . 34550 1 1055 . 1 . 1 98 98 SER CA C 13 63.395 0.3 . 1 . . . . A 98 SER CA . 34550 1 1056 . 1 . 1 98 98 SER CB C 13 62.772 0.3 . 1 . . . . A 98 SER CB . 34550 1 1057 . 1 . 1 98 98 SER N N 15 118.054 0.3 . 1 . . . . A 98 SER N . 34550 1 1058 . 1 . 1 99 99 ASN H H 1 7.978 0.020 . 1 . . . . A 99 ASN H . 34550 1 1059 . 1 . 1 99 99 ASN HA H 1 4.464 0.020 . 1 . . . . A 99 ASN HA . 34550 1 1060 . 1 . 1 99 99 ASN HB2 H 1 2.804 0.020 . 2 . . . . A 99 ASN HB2 . 34550 1 1061 . 1 . 1 99 99 ASN HB3 H 1 2.864 0.020 . 2 . . . . A 99 ASN HB3 . 34550 1 1062 . 1 . 1 99 99 ASN HD21 H 1 6.919 0.020 . 1 . . . . A 99 ASN HD21 . 34550 1 1063 . 1 . 1 99 99 ASN HD22 H 1 7.608 0.020 . 1 . . . . A 99 ASN HD22 . 34550 1 1064 . 1 . 1 99 99 ASN C C 13 176.069 0.3 . 1 . . . . A 99 ASN C . 34550 1 1065 . 1 . 1 99 99 ASN CA C 13 56.722 0.3 . 1 . . . . A 99 ASN CA . 34550 1 1066 . 1 . 1 99 99 ASN CB C 13 38.541 0.3 . 1 . . . . A 99 ASN CB . 34550 1 1067 . 1 . 1 99 99 ASN N N 15 120.277 0.3 . 1 . . . . A 99 ASN N . 34550 1 1068 . 1 . 1 99 99 ASN ND2 N 15 113.765 0.3 . 1 . . . . A 99 ASN ND2 . 34550 1 1069 . 1 . 1 100 100 ALA H H 1 8.353 0.020 . 1 . . . . A 100 ALA H . 34550 1 1070 . 1 . 1 100 100 ALA HA H 1 4.209 0.020 . 1 . . . . A 100 ALA HA . 34550 1 1071 . 1 . 1 100 100 ALA HB1 H 1 1.455 0.020 . 1 . . . . A 100 ALA HB1 . 34550 1 1072 . 1 . 1 100 100 ALA HB2 H 1 1.455 0.020 . 1 . . . . A 100 ALA HB2 . 34550 1 1073 . 1 . 1 100 100 ALA HB3 H 1 1.455 0.020 . 1 . . . . A 100 ALA HB3 . 34550 1 1074 . 1 . 1 100 100 ALA C C 13 179.753 0.3 . 1 . . . . A 100 ALA C . 34550 1 1075 . 1 . 1 100 100 ALA CA C 13 55.597 0.3 . 1 . . . . A 100 ALA CA . 34550 1 1076 . 1 . 1 100 100 ALA CB C 13 19.744 0.3 . 1 . . . . A 100 ALA CB . 34550 1 1077 . 1 . 1 100 100 ALA N N 15 122.569 0.3 . 1 . . . . A 100 ALA N . 34550 1 1078 . 1 . 1 101 101 LEU H H 1 8.813 0.020 . 1 . . . . A 101 LEU H . 34550 1 1079 . 1 . 1 101 101 LEU HA H 1 4.100 0.020 . 1 . . . . A 101 LEU HA . 34550 1 1080 . 1 . 1 101 101 LEU HB2 H 1 1.601 0.020 . 2 . . . . A 101 LEU HB2 . 34550 1 1081 . 1 . 1 101 101 LEU HB3 H 1 2.169 0.020 . 2 . . . . A 101 LEU HB3 . 34550 1 1082 . 1 . 1 101 101 LEU HG H 1 1.912 0.020 . 1 . . . . A 101 LEU HG . 34550 1 1083 . 1 . 1 101 101 LEU HD11 H 1 0.757 0.020 . 2 . . . . A 101 LEU HD11 . 34550 1 1084 . 1 . 1 101 101 LEU HD12 H 1 0.757 0.020 . 2 . . . . A 101 LEU HD12 . 34550 1 1085 . 1 . 1 101 101 LEU HD13 H 1 0.757 0.020 . 2 . . . . A 101 LEU HD13 . 34550 1 1086 . 1 . 1 101 101 LEU HD21 H 1 0.623 0.020 . 2 . . . . A 101 LEU HD21 . 34550 1 1087 . 1 . 1 101 101 LEU HD22 H 1 0.623 0.020 . 2 . . . . A 101 LEU HD22 . 34550 1 1088 . 1 . 1 101 101 LEU HD23 H 1 0.623 0.020 . 2 . . . . A 101 LEU HD23 . 34550 1 1089 . 1 . 1 101 101 LEU C C 13 177.124 0.3 . 1 . . . . A 101 LEU C . 34550 1 1090 . 1 . 1 101 101 LEU CA C 13 58.842 0.3 . 1 . . . . A 101 LEU CA . 34550 1 1091 . 1 . 1 101 101 LEU CB C 13 43.681 0.3 . 1 . . . . A 101 LEU CB . 34550 1 1092 . 1 . 1 101 101 LEU CG C 13 26.839 0.3 . 1 . . . . A 101 LEU CG . 34550 1 1093 . 1 . 1 101 101 LEU CD1 C 13 26.267 0.3 . 1 . . . . A 101 LEU CD1 . 34550 1 1094 . 1 . 1 101 101 LEU CD2 C 13 25.582 0.3 . 1 . . . . A 101 LEU CD2 . 34550 1 1095 . 1 . 1 101 101 LEU N N 15 119.689 0.3 . 1 . . . . A 101 LEU N . 34550 1 1096 . 1 . 1 102 102 ARG H H 1 8.343 0.020 . 1 . . . . A 102 ARG H . 34550 1 1097 . 1 . 1 102 102 ARG HA H 1 3.962 0.020 . 1 . . . . A 102 ARG HA . 34550 1 1098 . 1 . 1 102 102 ARG HB2 H 1 1.891 0.020 . 2 . . . . A 102 ARG HB2 . 34550 1 1099 . 1 . 1 102 102 ARG HB3 H 1 1.920 0.020 . 2 . . . . A 102 ARG HB3 . 34550 1 1100 . 1 . 1 102 102 ARG HG2 H 1 1.664 0.020 . 1 . . . . A 102 ARG HG2 . 34550 1 1101 . 1 . 1 102 102 ARG HD2 H 1 3.095 0.020 . 1 . . . . A 102 ARG HD2 . 34550 1 1102 . 1 . 1 102 102 ARG HD3 H 1 3.095 0.020 . 1 . . . . A 102 ARG HD3 . 34550 1 1103 . 1 . 1 102 102 ARG C C 13 178.652 0.3 . 1 . . . . A 102 ARG C . 34550 1 1104 . 1 . 1 102 102 ARG CA C 13 60.886 0.3 . 1 . . . . A 102 ARG CA . 34550 1 1105 . 1 . 1 102 102 ARG CB C 13 30.382 0.3 . 1 . . . . A 102 ARG CB . 34550 1 1106 . 1 . 1 102 102 ARG CG C 13 29.937 0.3 . 1 . . . . A 102 ARG CG . 34550 1 1107 . 1 . 1 102 102 ARG CD C 13 43.535 0.3 . 1 . . . . A 102 ARG CD . 34550 1 1108 . 1 . 1 102 102 ARG N N 15 118.992 0.3 . 1 . . . . A 102 ARG N . 34550 1 1109 . 1 . 1 103 103 ASN H H 1 8.412 0.020 . 1 . . . . A 103 ASN H . 34550 1 1110 . 1 . 1 103 103 ASN HA H 1 4.421 0.020 . 1 . . . . A 103 ASN HA . 34550 1 1111 . 1 . 1 103 103 ASN HB2 H 1 2.733 0.020 . 2 . . . . A 103 ASN HB2 . 34550 1 1112 . 1 . 1 103 103 ASN HB3 H 1 2.710 0.020 . 2 . . . . A 103 ASN HB3 . 34550 1 1113 . 1 . 1 103 103 ASN HD21 H 1 7.479 0.020 . 1 . . . . A 103 ASN HD21 . 34550 1 1114 . 1 . 1 103 103 ASN HD22 H 1 6.759 0.020 . 1 . . . . A 103 ASN HD22 . 34550 1 1115 . 1 . 1 103 103 ASN C C 13 176.941 0.3 . 1 . . . . A 103 ASN C . 34550 1 1116 . 1 . 1 103 103 ASN CA C 13 56.499 0.3 . 1 . . . . A 103 ASN CA . 34550 1 1117 . 1 . 1 103 103 ASN CB C 13 38.295 0.3 . 1 . . . . A 103 ASN CB . 34550 1 1118 . 1 . 1 103 103 ASN N N 15 117.505 0.3 . 1 . . . . A 103 ASN N . 34550 1 1119 . 1 . 1 103 103 ASN ND2 N 15 112.335 0.3 . 1 . . . . A 103 ASN ND2 . 34550 1 1120 . 1 . 1 104 104 ALA H H 1 8.087 0.020 . 1 . . . . A 104 ALA H . 34550 1 1121 . 1 . 1 104 104 ALA HA H 1 4.405 0.020 . 1 . . . . A 104 ALA HA . 34550 1 1122 . 1 . 1 104 104 ALA HB1 H 1 1.434 0.020 . 1 . . . . A 104 ALA HB1 . 34550 1 1123 . 1 . 1 104 104 ALA HB2 H 1 1.434 0.020 . 1 . . . . A 104 ALA HB2 . 34550 1 1124 . 1 . 1 104 104 ALA HB3 H 1 1.434 0.020 . 1 . . . . A 104 ALA HB3 . 34550 1 1125 . 1 . 1 104 104 ALA C C 13 180.318 0.3 . 1 . . . . A 104 ALA C . 34550 1 1126 . 1 . 1 104 104 ALA CA C 13 55.242 0.3 . 1 . . . . A 104 ALA CA . 34550 1 1127 . 1 . 1 104 104 ALA CB C 13 18.969 0.3 . 1 . . . . A 104 ALA CB . 34550 1 1128 . 1 . 1 104 104 ALA N N 15 123.132 0.3 . 1 . . . . A 104 ALA N . 34550 1 1129 . 1 . 1 105 105 LEU H H 1 8.870 0.020 . 1 . . . . A 105 LEU H . 34550 1 1130 . 1 . 1 105 105 LEU HA H 1 3.931 0.020 . 1 . . . . A 105 LEU HA . 34550 1 1131 . 1 . 1 105 105 LEU HB2 H 1 2.006 0.020 . 2 . . . . A 105 LEU HB2 . 34550 1 1132 . 1 . 1 105 105 LEU HB3 H 1 1.545 0.020 . 2 . . . . A 105 LEU HB3 . 34550 1 1133 . 1 . 1 105 105 LEU HG H 1 1.793 0.020 . 1 . . . . A 105 LEU HG . 34550 1 1134 . 1 . 1 105 105 LEU HD11 H 1 0.841 0.020 . 2 . . . . A 105 LEU HD11 . 34550 1 1135 . 1 . 1 105 105 LEU HD12 H 1 0.841 0.020 . 2 . . . . A 105 LEU HD12 . 34550 1 1136 . 1 . 1 105 105 LEU HD13 H 1 0.841 0.020 . 2 . . . . A 105 LEU HD13 . 34550 1 1137 . 1 . 1 105 105 LEU HD21 H 1 0.240 0.020 . 2 . . . . A 105 LEU HD21 . 34550 1 1138 . 1 . 1 105 105 LEU HD22 H 1 0.240 0.020 . 2 . . . . A 105 LEU HD22 . 34550 1 1139 . 1 . 1 105 105 LEU HD23 H 1 0.240 0.020 . 2 . . . . A 105 LEU HD23 . 34550 1 1140 . 1 . 1 105 105 LEU C C 13 179.249 0.3 . 1 . . . . A 105 LEU C . 34550 1 1141 . 1 . 1 105 105 LEU CA C 13 59.086 0.3 . 1 . . . . A 105 LEU CA . 34550 1 1142 . 1 . 1 105 105 LEU CB C 13 41.419 0.3 . 1 . . . . A 105 LEU CB . 34550 1 1143 . 1 . 1 105 105 LEU CG C 13 27.441 0.3 . 1 . . . . A 105 LEU CG . 34550 1 1144 . 1 . 1 105 105 LEU CD1 C 13 27.259 0.3 . 1 . . . . A 105 LEU CD1 . 34550 1 1145 . 1 . 1 105 105 LEU CD2 C 13 23.464 0.3 . 1 . . . . A 105 LEU CD2 . 34550 1 1146 . 1 . 1 105 105 LEU N N 15 122.645 0.3 . 1 . . . . A 105 LEU N . 34550 1 1147 . 1 . 1 106 106 MET H H 1 8.167 0.020 . 1 . . . . A 106 MET H . 34550 1 1148 . 1 . 1 106 106 MET HA H 1 3.975 0.020 . 1 . . . . A 106 MET HA . 34550 1 1149 . 1 . 1 106 106 MET HB2 H 1 2.082 0.020 . 2 . . . . A 106 MET HB2 . 34550 1 1150 . 1 . 1 106 106 MET HB3 H 1 2.052 0.020 . 2 . . . . A 106 MET HB3 . 34550 1 1151 . 1 . 1 106 106 MET HG2 H 1 2.463 0.020 . 1 . . . . A 106 MET HG2 . 34550 1 1152 . 1 . 1 106 106 MET HG3 H 1 2.463 0.020 . 1 . . . . A 106 MET HG3 . 34550 1 1153 . 1 . 1 106 106 MET HE1 H 1 1.923 0.020 . 1 . . . . A 106 MET HE1 . 34550 1 1154 . 1 . 1 106 106 MET HE2 H 1 1.923 0.020 . 1 . . . . A 106 MET HE2 . 34550 1 1155 . 1 . 1 106 106 MET HE3 H 1 1.923 0.020 . 1 . . . . A 106 MET HE3 . 34550 1 1156 . 1 . 1 106 106 MET C C 13 178.545 0.3 . 1 . . . . A 106 MET C . 34550 1 1157 . 1 . 1 106 106 MET CA C 13 58.427 0.3 . 1 . . . . A 106 MET CA . 34550 1 1158 . 1 . 1 106 106 MET CB C 13 31.886 0.3 . 1 . . . . A 106 MET CB . 34550 1 1159 . 1 . 1 106 106 MET CG C 13 32.268 0.3 . 1 . . . . A 106 MET CG . 34550 1 1160 . 1 . 1 106 106 MET CE C 13 16.758 0.3 . 1 . . . . A 106 MET CE . 34550 1 1161 . 1 . 1 106 106 MET N N 15 121.660 0.3 . 1 . . . . A 106 MET N . 34550 1 1162 . 1 . 1 107 107 SER H H 1 8.462 0.020 . 1 . . . . A 107 SER H . 34550 1 1163 . 1 . 1 107 107 SER HA H 1 4.170 0.020 . 1 . . . . A 107 SER HA . 34550 1 1164 . 1 . 1 107 107 SER HB2 H 1 3.957 0.020 . 2 . . . . A 107 SER HB2 . 34550 1 1165 . 1 . 1 107 107 SER HB3 H 1 3.903 0.020 . 2 . . . . A 107 SER HB3 . 34550 1 1166 . 1 . 1 107 107 SER C C 13 174.633 0.3 . 1 . . . . A 107 SER C . 34550 1 1167 . 1 . 1 107 107 SER CA C 13 62.066 0.3 . 1 . . . . A 107 SER CA . 34550 1 1168 . 1 . 1 107 107 SER CB C 13 63.424 0.3 . 1 . . . . A 107 SER CB . 34550 1 1169 . 1 . 1 107 107 SER N N 15 114.111 0.3 . 1 . . . . A 107 SER N . 34550 1 1170 . 1 . 1 108 108 THR H H 1 7.671 0.020 . 1 . . . . A 108 THR H . 34550 1 1171 . 1 . 1 108 108 THR HA H 1 4.367 0.020 . 1 . . . . A 108 THR HA . 34550 1 1172 . 1 . 1 108 108 THR HB H 1 4.137 0.020 . 1 . . . . A 108 THR HB . 34550 1 1173 . 1 . 1 108 108 THR HG21 H 1 1.257 0.020 . 1 . . . . A 108 THR HG21 . 34550 1 1174 . 1 . 1 108 108 THR HG22 H 1 1.257 0.020 . 1 . . . . A 108 THR HG22 . 34550 1 1175 . 1 . 1 108 108 THR HG23 H 1 1.257 0.020 . 1 . . . . A 108 THR HG23 . 34550 1 1176 . 1 . 1 108 108 THR C C 13 174.770 0.3 . 1 . . . . A 108 THR C . 34550 1 1177 . 1 . 1 108 108 THR CA C 13 64.583 0.3 . 1 . . . . A 108 THR CA . 34550 1 1178 . 1 . 1 108 108 THR CB C 13 70.562 0.3 . 1 . . . . A 108 THR CB . 34550 1 1179 . 1 . 1 108 108 THR CG2 C 13 22.246 0.3 . 1 . . . . A 108 THR CG2 . 34550 1 1180 . 1 . 1 108 108 THR N N 15 110.012 0.3 . 1 . . . . A 108 THR N . 34550 1 1181 . 1 . 1 109 109 THR H H 1 8.180 0.020 . 1 . . . . A 109 THR H . 34550 1 1182 . 1 . 1 109 109 THR HA H 1 4.655 0.020 . 1 . . . . A 109 THR HA . 34550 1 1183 . 1 . 1 109 109 THR HB H 1 4.246 0.020 . 1 . . . . A 109 THR HB . 34550 1 1184 . 1 . 1 109 109 THR HG21 H 1 0.952 0.020 . 1 . . . . A 109 THR HG21 . 34550 1 1185 . 1 . 1 109 109 THR HG22 H 1 0.952 0.020 . 1 . . . . A 109 THR HG22 . 34550 1 1186 . 1 . 1 109 109 THR HG23 H 1 0.952 0.020 . 1 . . . . A 109 THR HG23 . 34550 1 1187 . 1 . 1 109 109 THR C C 13 174.969 0.3 . 1 . . . . A 109 THR C . 34550 1 1188 . 1 . 1 109 109 THR CA C 13 62.063 0.3 . 1 . . . . A 109 THR CA . 34550 1 1189 . 1 . 1 109 109 THR CB C 13 71.633 0.3 . 1 . . . . A 109 THR CB . 34550 1 1190 . 1 . 1 109 109 THR CG2 C 13 21.427 0.3 . 1 . . . . A 109 THR CG2 . 34550 1 1191 . 1 . 1 109 109 THR N N 15 110.271 0.3 . 1 . . . . A 109 THR N . 34550 1 1192 . 1 . 1 110 110 GLY H H 1 7.746 0.020 . 1 . . . . A 110 GLY H . 34550 1 1193 . 1 . 1 110 110 GLY HA2 H 1 4.218 0.020 . 2 . . . . A 110 GLY HA2 . 34550 1 1194 . 1 . 1 110 110 GLY HA3 H 1 3.892 0.020 . 2 . . . . A 110 GLY HA3 . 34550 1 1195 . 1 . 1 110 110 GLY C C 13 172.218 0.3 . 1 . . . . A 110 GLY C . 34550 1 1196 . 1 . 1 110 110 GLY CA C 13 46.204 0.3 . 1 . . . . A 110 GLY CA . 34550 1 1197 . 1 . 1 110 110 GLY N N 15 110.340 0.3 . 1 . . . . A 110 GLY N . 34550 1 1198 . 1 . 1 111 111 SER H H 1 7.794 0.020 . 1 . . . . A 111 SER H . 34550 1 1199 . 1 . 1 111 111 SER HA H 1 4.970 0.020 . 1 . . . . A 111 SER HA . 34550 1 1200 . 1 . 1 111 111 SER HB2 H 1 3.604 0.020 . 2 . . . . A 111 SER HB2 . 34550 1 1201 . 1 . 1 111 111 SER HB3 H 1 3.680 0.020 . 2 . . . . A 111 SER HB3 . 34550 1 1202 . 1 . 1 111 111 SER CA C 13 55.699 0.3 . 1 . . . . A 111 SER CA . 34550 1 1203 . 1 . 1 111 111 SER CB C 13 65.672 0.3 . 1 . . . . A 111 SER CB . 34550 1 1204 . 1 . 1 111 111 SER N N 15 115.589 0.3 . 1 . . . . A 111 SER N . 34550 1 1205 . 1 . 1 112 112 PRO HA H 1 4.454 0.020 . 1 . . . . A 112 PRO HA . 34550 1 1206 . 1 . 1 112 112 PRO HB2 H 1 1.980 0.020 . 2 . . . . A 112 PRO HB2 . 34550 1 1207 . 1 . 1 112 112 PRO HB3 H 1 2.235 0.020 . 2 . . . . A 112 PRO HB3 . 34550 1 1208 . 1 . 1 112 112 PRO HG2 H 1 1.978 0.020 . 1 . . . . A 112 PRO HG2 . 34550 1 1209 . 1 . 1 112 112 PRO HG3 H 1 1.978 0.020 . 1 . . . . A 112 PRO HG3 . 34550 1 1210 . 1 . 1 112 112 PRO HD2 H 1 3.753 0.020 . 2 . . . . A 112 PRO HD2 . 34550 1 1211 . 1 . 1 112 112 PRO HD3 H 1 3.675 0.020 . 2 . . . . A 112 PRO HD3 . 34550 1 1212 . 1 . 1 112 112 PRO C C 13 175.244 0.3 . 1 . . . . A 112 PRO C . 34550 1 1213 . 1 . 1 112 112 PRO CA C 13 63.172 0.3 . 1 . . . . A 112 PRO CA . 34550 1 1214 . 1 . 1 112 112 PRO CB C 13 32.767 0.3 . 1 . . . . A 112 PRO CB . 34550 1 1215 . 1 . 1 112 112 PRO CG C 13 27.428 0.3 . 1 . . . . A 112 PRO CG . 34550 1 1216 . 1 . 1 112 112 PRO CD C 13 51.014 0.3 . 1 . . . . A 112 PRO CD . 34550 1 1217 . 1 . 1 113 113 ASN H H 1 8.761 0.020 . 1 . . . . A 113 ASN H . 34550 1 1218 . 1 . 1 113 113 ASN HA H 1 4.321 0.020 . 1 . . . . A 113 ASN HA . 34550 1 1219 . 1 . 1 113 113 ASN HB2 H 1 3.004 0.020 . 2 . . . . A 113 ASN HB2 . 34550 1 1220 . 1 . 1 113 113 ASN HB3 H 1 2.523 0.020 . 2 . . . . A 113 ASN HB3 . 34550 1 1221 . 1 . 1 113 113 ASN HD21 H 1 7.004 0.020 . 1 . . . . A 113 ASN HD21 . 34550 1 1222 . 1 . 1 113 113 ASN HD22 H 1 6.904 0.020 . 1 . . . . A 113 ASN HD22 . 34550 1 1223 . 1 . 1 113 113 ASN C C 13 173.379 0.3 . 1 . . . . A 113 ASN C . 34550 1 1224 . 1 . 1 113 113 ASN CA C 13 53.896 0.3 . 1 . . . . A 113 ASN CA . 34550 1 1225 . 1 . 1 113 113 ASN CB C 13 39.040 0.3 . 1 . . . . A 113 ASN CB . 34550 1 1226 . 1 . 1 113 113 ASN N N 15 116.084 0.3 . 1 . . . . A 113 ASN N . 34550 1 1227 . 1 . 1 113 113 ASN ND2 N 15 111.998 0.3 . 1 . . . . A 113 ASN ND2 . 34550 1 1228 . 1 . 1 114 114 GLU H H 1 8.747 0.020 . 1 . . . . A 114 GLU H . 34550 1 1229 . 1 . 1 114 114 GLU HA H 1 3.812 0.020 . 1 . . . . A 114 GLU HA . 34550 1 1230 . 1 . 1 114 114 GLU HB2 H 1 1.920 0.020 . 2 . . . . A 114 GLU HB2 . 34550 1 1231 . 1 . 1 114 114 GLU HB3 H 1 1.842 0.020 . 2 . . . . A 114 GLU HB3 . 34550 1 1232 . 1 . 1 114 114 GLU HG2 H 1 2.301 0.020 . 2 . . . . A 114 GLU HG2 . 34550 1 1233 . 1 . 1 114 114 GLU HG3 H 1 2.172 0.020 . 2 . . . . A 114 GLU HG3 . 34550 1 1234 . 1 . 1 114 114 GLU C C 13 177.613 0.3 . 1 . . . . A 114 GLU C . 34550 1 1235 . 1 . 1 114 114 GLU CA C 13 59.098 0.3 . 1 . . . . A 114 GLU CA . 34550 1 1236 . 1 . 1 114 114 GLU CB C 13 29.787 0.3 . 1 . . . . A 114 GLU CB . 34550 1 1237 . 1 . 1 114 114 GLU CG C 13 36.777 0.3 . 1 . . . . A 114 GLU CG . 34550 1 1238 . 1 . 1 114 114 GLU N N 15 121.009 0.3 . 1 . . . . A 114 GLU N . 34550 1 1239 . 1 . 1 115 115 GLU H H 1 8.684 0.020 . 1 . . . . A 115 GLU H . 34550 1 1240 . 1 . 1 115 115 GLU HA H 1 3.995 0.020 . 1 . . . . A 115 GLU HA . 34550 1 1241 . 1 . 1 115 115 GLU HB2 H 1 2.048 0.020 . 2 . . . . A 115 GLU HB2 . 34550 1 1242 . 1 . 1 115 115 GLU HB3 H 1 1.977 0.020 . 2 . . . . A 115 GLU HB3 . 34550 1 1243 . 1 . 1 115 115 GLU HG2 H 1 2.267 0.020 . 1 . . . . A 115 GLU HG2 . 34550 1 1244 . 1 . 1 115 115 GLU HG3 H 1 2.267 0.020 . 1 . . . . A 115 GLU HG3 . 34550 1 1245 . 1 . 1 115 115 GLU C C 13 177.797 0.3 . 1 . . . . A 115 GLU C . 34550 1 1246 . 1 . 1 115 115 GLU CA C 13 60.577 0.3 . 1 . . . . A 115 GLU CA . 34550 1 1247 . 1 . 1 115 115 GLU CB C 13 29.296 0.3 . 1 . . . . A 115 GLU CB . 34550 1 1248 . 1 . 1 115 115 GLU CG C 13 37.116 0.3 . 1 . . . . A 115 GLU CG . 34550 1 1249 . 1 . 1 115 115 GLU N N 15 119.360 0.3 . 1 . . . . A 115 GLU N . 34550 1 1250 . 1 . 1 116 116 PHE H H 1 7.662 0.020 . 1 . . . . A 116 PHE H . 34550 1 1251 . 1 . 1 116 116 PHE HA H 1 4.258 0.020 . 1 . . . . A 116 PHE HA . 34550 1 1252 . 1 . 1 116 116 PHE HB2 H 1 3.094 0.020 . 2 . . . . A 116 PHE HB2 . 34550 1 1253 . 1 . 1 116 116 PHE HB3 H 1 2.947 0.020 . 2 . . . . A 116 PHE HB3 . 34550 1 1254 . 1 . 1 116 116 PHE HD1 H 1 7.137 0.020 . 1 . . . . A 116 PHE HD1 . 34550 1 1255 . 1 . 1 116 116 PHE HD2 H 1 7.137 0.020 . 1 . . . . A 116 PHE HD2 . 34550 1 1256 . 1 . 1 116 116 PHE HE1 H 1 7.042 0.020 . 1 . . . . A 116 PHE HE1 . 34550 1 1257 . 1 . 1 116 116 PHE HE2 H 1 7.042 0.020 . 1 . . . . A 116 PHE HE2 . 34550 1 1258 . 1 . 1 116 116 PHE HZ H 1 6.716 0.020 . 1 . . . . A 116 PHE HZ . 34550 1 1259 . 1 . 1 116 116 PHE C C 13 175.901 0.3 . 1 . . . . A 116 PHE C . 34550 1 1260 . 1 . 1 116 116 PHE CA C 13 60.971 0.3 . 1 . . . . A 116 PHE CA . 34550 1 1261 . 1 . 1 116 116 PHE CB C 13 39.481 0.3 . 1 . . . . A 116 PHE CB . 34550 1 1262 . 1 . 1 116 116 PHE CD1 C 13 132.273 0.3 . 1 . . . . A 116 PHE CD1 . 34550 1 1263 . 1 . 1 116 116 PHE CE1 C 13 131.086 0.3 . 1 . . . . A 116 PHE CE1 . 34550 1 1264 . 1 . 1 116 116 PHE CZ C 13 128.556 0.3 . 1 . . . . A 116 PHE CZ . 34550 1 1265 . 1 . 1 116 116 PHE N N 15 120.494 0.3 . 1 . . . . A 116 PHE N . 34550 1 1266 . 1 . 1 117 117 VAL H H 1 7.594 0.020 . 1 . . . . A 117 VAL H . 34550 1 1267 . 1 . 1 117 117 VAL HA H 1 3.099 0.020 . 1 . . . . A 117 VAL HA . 34550 1 1268 . 1 . 1 117 117 VAL HB H 1 2.074 0.020 . 1 . . . . A 117 VAL HB . 34550 1 1269 . 1 . 1 117 117 VAL HG11 H 1 0.819 0.020 . 2 . . . . A 117 VAL HG11 . 34550 1 1270 . 1 . 1 117 117 VAL HG12 H 1 0.819 0.020 . 2 . . . . A 117 VAL HG12 . 34550 1 1271 . 1 . 1 117 117 VAL HG13 H 1 0.819 0.020 . 2 . . . . A 117 VAL HG13 . 34550 1 1272 . 1 . 1 117 117 VAL HG21 H 1 1.002 0.020 . 2 . . . . A 117 VAL HG21 . 34550 1 1273 . 1 . 1 117 117 VAL HG22 H 1 1.002 0.020 . 2 . . . . A 117 VAL HG22 . 34550 1 1274 . 1 . 1 117 117 VAL HG23 H 1 1.002 0.020 . 2 . . . . A 117 VAL HG23 . 34550 1 1275 . 1 . 1 117 117 VAL C C 13 177.048 0.3 . 1 . . . . A 117 VAL C . 34550 1 1276 . 1 . 1 117 117 VAL CA C 13 67.690 0.3 . 1 . . . . A 117 VAL CA . 34550 1 1277 . 1 . 1 117 117 VAL CB C 13 31.795 0.3 . 1 . . . . A 117 VAL CB . 34550 1 1278 . 1 . 1 117 117 VAL CG1 C 13 21.445 0.3 . 1 . . . . A 117 VAL CG1 . 34550 1 1279 . 1 . 1 117 117 VAL CG2 C 13 23.696 0.3 . 1 . . . . A 117 VAL CG2 . 34550 1 1280 . 1 . 1 117 117 VAL N N 15 118.050 0.3 . 1 . . . . A 117 VAL N . 34550 1 1281 . 1 . 1 118 118 HIS H H 1 8.441 0.020 . 1 . . . . A 118 HIS H . 34550 1 1282 . 1 . 1 118 118 HIS HA H 1 4.214 0.020 . 1 . . . . A 118 HIS HA . 34550 1 1283 . 1 . 1 118 118 HIS HB2 H 1 3.207 0.020 . 2 . . . . A 118 HIS HB2 . 34550 1 1284 . 1 . 1 118 118 HIS HB3 H 1 3.235 0.020 . 2 . . . . A 118 HIS HB3 . 34550 1 1285 . 1 . 1 118 118 HIS HD2 H 1 7.050 0.020 . 1 . . . . A 118 HIS HD2 . 34550 1 1286 . 1 . 1 118 118 HIS HE1 H 1 8.140 0.020 . 1 . . . . A 118 HIS HE1 . 34550 1 1287 . 1 . 1 118 118 HIS C C 13 176.100 0.3 . 1 . . . . A 118 HIS C . 34550 1 1288 . 1 . 1 118 118 HIS CA C 13 59.135 0.3 . 1 . . . . A 118 HIS CA . 34550 1 1289 . 1 . 1 118 118 HIS CB C 13 28.978 0.3 . 1 . . . . A 118 HIS CB . 34550 1 1290 . 1 . 1 118 118 HIS CD2 C 13 120.289 0.3 . 1 . . . . A 118 HIS CD2 . 34550 1 1291 . 1 . 1 118 118 HIS CE1 C 13 137.200 0.3 . 1 . . . . A 118 HIS CE1 . 34550 1 1292 . 1 . 1 118 118 HIS N N 15 117.232 0.3 . 1 . . . . A 118 HIS N . 34550 1 1293 . 1 . 1 119 119 GLU H H 1 7.970 0.020 . 1 . . . . A 119 GLU H . 34550 1 1294 . 1 . 1 119 119 GLU HA H 1 3.915 0.020 . 1 . . . . A 119 GLU HA . 34550 1 1295 . 1 . 1 119 119 GLU HB2 H 1 2.110 0.020 . 2 . . . . A 119 GLU HB2 . 34550 1 1296 . 1 . 1 119 119 GLU HB3 H 1 1.843 0.020 . 2 . . . . A 119 GLU HB3 . 34550 1 1297 . 1 . 1 119 119 GLU HG2 H 1 2.101 0.020 . 2 . . . . A 119 GLU HG2 . 34550 1 1298 . 1 . 1 119 119 GLU HG3 H 1 2.396 0.020 . 2 . . . . A 119 GLU HG3 . 34550 1 1299 . 1 . 1 119 119 GLU C C 13 179.004 0.3 . 1 . . . . A 119 GLU C . 34550 1 1300 . 1 . 1 119 119 GLU CA C 13 59.593 0.3 . 1 . . . . A 119 GLU CA . 34550 1 1301 . 1 . 1 119 119 GLU CB C 13 29.737 0.3 . 1 . . . . A 119 GLU CB . 34550 1 1302 . 1 . 1 119 119 GLU CG C 13 36.570 0.3 . 1 . . . . A 119 GLU CG . 34550 1 1303 . 1 . 1 119 119 GLU N N 15 120.247 0.3 . 1 . . . . A 119 GLU N . 34550 1 1304 . 1 . 1 120 120 VAL H H 1 7.736 0.020 . 1 . . . . A 120 VAL H . 34550 1 1305 . 1 . 1 120 120 VAL HA H 1 3.280 0.020 . 1 . . . . A 120 VAL HA . 34550 1 1306 . 1 . 1 120 120 VAL HB H 1 1.887 0.020 . 1 . . . . A 120 VAL HB . 34550 1 1307 . 1 . 1 120 120 VAL HG11 H 1 0.676 0.020 . 2 . . . . A 120 VAL HG11 . 34550 1 1308 . 1 . 1 120 120 VAL HG12 H 1 0.676 0.020 . 2 . . . . A 120 VAL HG12 . 34550 1 1309 . 1 . 1 120 120 VAL HG13 H 1 0.676 0.020 . 2 . . . . A 120 VAL HG13 . 34550 1 1310 . 1 . 1 120 120 VAL HG21 H 1 0.384 0.020 . 2 . . . . A 120 VAL HG21 . 34550 1 1311 . 1 . 1 120 120 VAL HG22 H 1 0.384 0.020 . 2 . . . . A 120 VAL HG22 . 34550 1 1312 . 1 . 1 120 120 VAL HG23 H 1 0.384 0.020 . 2 . . . . A 120 VAL HG23 . 34550 1 1313 . 1 . 1 120 120 VAL C C 13 176.604 0.3 . 1 . . . . A 120 VAL C . 34550 1 1314 . 1 . 1 120 120 VAL CA C 13 67.471 0.3 . 1 . . . . A 120 VAL CA . 34550 1 1315 . 1 . 1 120 120 VAL CB C 13 31.547 0.3 . 1 . . . . A 120 VAL CB . 34550 1 1316 . 1 . 1 120 120 VAL CG1 C 13 21.871 0.3 . 1 . . . . A 120 VAL CG1 . 34550 1 1317 . 1 . 1 120 120 VAL CG2 C 13 23.786 0.3 . 1 . . . . A 120 VAL CG2 . 34550 1 1318 . 1 . 1 120 120 VAL N N 15 119.198 0.3 . 1 . . . . A 120 VAL N . 34550 1 1319 . 1 . 1 121 121 GLN H H 1 8.278 0.020 . 1 . . . . A 121 GLN H . 34550 1 1320 . 1 . 1 121 121 GLN HA H 1 3.732 0.020 . 1 . . . . A 121 GLN HA . 34550 1 1321 . 1 . 1 121 121 GLN HB2 H 1 2.203 0.020 . 2 . . . . A 121 GLN HB2 . 34550 1 1322 . 1 . 1 121 121 GLN HB3 H 1 1.917 0.020 . 2 . . . . A 121 GLN HB3 . 34550 1 1323 . 1 . 1 121 121 GLN HG2 H 1 2.013 0.020 . 2 . . . . A 121 GLN HG2 . 34550 1 1324 . 1 . 1 121 121 GLN HG3 H 1 2.459 0.020 . 2 . . . . A 121 GLN HG3 . 34550 1 1325 . 1 . 1 121 121 GLN HE21 H 1 7.330 0.020 . 1 . . . . A 121 GLN HE21 . 34550 1 1326 . 1 . 1 121 121 GLN HE22 H 1 6.547 0.020 . 1 . . . . A 121 GLN HE22 . 34550 1 1327 . 1 . 1 121 121 GLN C C 13 178.011 0.3 . 1 . . . . A 121 GLN C . 34550 1 1328 . 1 . 1 121 121 GLN CA C 13 60.140 0.3 . 1 . . . . A 121 GLN CA . 34550 1 1329 . 1 . 1 121 121 GLN CB C 13 28.247 0.3 . 1 . . . . A 121 GLN CB . 34550 1 1330 . 1 . 1 121 121 GLN CG C 13 34.028 0.3 . 1 . . . . A 121 GLN CG . 34550 1 1331 . 1 . 1 121 121 GLN N N 15 118.537 0.3 . 1 . . . . A 121 GLN N . 34550 1 1332 . 1 . 1 121 121 GLN NE2 N 15 109.188 0.3 . 1 . . . . A 121 GLN NE2 . 34550 1 1333 . 1 . 1 122 122 ASP H H 1 8.477 0.020 . 1 . . . . A 122 ASP H . 34550 1 1334 . 1 . 1 122 122 ASP HA H 1 4.288 0.020 . 1 . . . . A 122 ASP HA . 34550 1 1335 . 1 . 1 122 122 ASP HB2 H 1 2.631 0.020 . 2 . . . . A 122 ASP HB2 . 34550 1 1336 . 1 . 1 122 122 ASP HB3 H 1 2.495 0.020 . 2 . . . . A 122 ASP HB3 . 34550 1 1337 . 1 . 1 122 122 ASP C C 13 178.102 0.3 . 1 . . . . A 122 ASP C . 34550 1 1338 . 1 . 1 122 122 ASP CA C 13 57.542 0.3 . 1 . . . . A 122 ASP CA . 34550 1 1339 . 1 . 1 122 122 ASP CB C 13 40.533 0.3 . 1 . . . . A 122 ASP CB . 34550 1 1340 . 1 . 1 122 122 ASP N N 15 120.348 0.3 . 1 . . . . A 122 ASP N . 34550 1 1341 . 1 . 1 123 123 LEU H H 1 7.690 0.020 . 1 . . . . A 123 LEU H . 34550 1 1342 . 1 . 1 123 123 LEU HA H 1 4.072 0.020 . 1 . . . . A 123 LEU HA . 34550 1 1343 . 1 . 1 123 123 LEU HB2 H 1 1.781 0.020 . 2 . . . . A 123 LEU HB2 . 34550 1 1344 . 1 . 1 123 123 LEU HB3 H 1 1.351 0.020 . 2 . . . . A 123 LEU HB3 . 34550 1 1345 . 1 . 1 123 123 LEU HG H 1 1.612 0.020 . 1 . . . . A 123 LEU HG . 34550 1 1346 . 1 . 1 123 123 LEU HD11 H 1 0.741 0.020 . 2 . . . . A 123 LEU HD11 . 34550 1 1347 . 1 . 1 123 123 LEU HD12 H 1 0.741 0.020 . 2 . . . . A 123 LEU HD12 . 34550 1 1348 . 1 . 1 123 123 LEU HD13 H 1 0.741 0.020 . 2 . . . . A 123 LEU HD13 . 34550 1 1349 . 1 . 1 123 123 LEU HD21 H 1 0.789 0.020 . 2 . . . . A 123 LEU HD21 . 34550 1 1350 . 1 . 1 123 123 LEU HD22 H 1 0.789 0.020 . 2 . . . . A 123 LEU HD22 . 34550 1 1351 . 1 . 1 123 123 LEU HD23 H 1 0.789 0.020 . 2 . . . . A 123 LEU HD23 . 34550 1 1352 . 1 . 1 123 123 LEU C C 13 177.965 0.3 . 1 . . . . A 123 LEU C . 34550 1 1353 . 1 . 1 123 123 LEU CA C 13 58.509 0.3 . 1 . . . . A 123 LEU CA . 34550 1 1354 . 1 . 1 123 123 LEU CB C 13 42.607 0.3 . 1 . . . . A 123 LEU CB . 34550 1 1355 . 1 . 1 123 123 LEU CG C 13 27.309 0.3 . 1 . . . . A 123 LEU CG . 34550 1 1356 . 1 . 1 123 123 LEU CD1 C 13 25.557 0.3 . 1 . . . . A 123 LEU CD1 . 34550 1 1357 . 1 . 1 123 123 LEU CD2 C 13 24.820 0.3 . 1 . . . . A 123 LEU CD2 . 34550 1 1358 . 1 . 1 123 123 LEU N N 15 121.877 0.3 . 1 . . . . A 123 LEU N . 34550 1 1359 . 1 . 1 124 124 ILE H H 1 8.344 0.020 . 1 . . . . A 124 ILE H . 34550 1 1360 . 1 . 1 124 124 ILE HA H 1 3.354 0.020 . 1 . . . . A 124 ILE HA . 34550 1 1361 . 1 . 1 124 124 ILE HB H 1 1.853 0.020 . 1 . . . . A 124 ILE HB . 34550 1 1362 . 1 . 1 124 124 ILE HG12 H 1 0.911 0.020 . 2 . . . . A 124 ILE HG12 . 34550 1 1363 . 1 . 1 124 124 ILE HG13 H 1 1.895 0.020 . 2 . . . . A 124 ILE HG13 . 34550 1 1364 . 1 . 1 124 124 ILE HG21 H 1 0.770 0.020 . 1 . . . . A 124 ILE HG21 . 34550 1 1365 . 1 . 1 124 124 ILE HG22 H 1 0.770 0.020 . 1 . . . . A 124 ILE HG22 . 34550 1 1366 . 1 . 1 124 124 ILE HG23 H 1 0.770 0.020 . 1 . . . . A 124 ILE HG23 . 34550 1 1367 . 1 . 1 124 124 ILE HD11 H 1 0.801 0.020 . 1 . . . . A 124 ILE HD11 . 34550 1 1368 . 1 . 1 124 124 ILE HD12 H 1 0.801 0.020 . 1 . . . . A 124 ILE HD12 . 34550 1 1369 . 1 . 1 124 124 ILE HD13 H 1 0.801 0.020 . 1 . . . . A 124 ILE HD13 . 34550 1 1370 . 1 . 1 124 124 ILE C C 13 177.583 0.3 . 1 . . . . A 124 ILE C . 34550 1 1371 . 1 . 1 124 124 ILE CA C 13 66.612 0.3 . 1 . . . . A 124 ILE CA . 34550 1 1372 . 1 . 1 124 124 ILE CB C 13 38.349 0.3 . 1 . . . . A 124 ILE CB . 34550 1 1373 . 1 . 1 124 124 ILE CG1 C 13 30.249 0.3 . 1 . . . . A 124 ILE CG1 . 34550 1 1374 . 1 . 1 124 124 ILE CG2 C 13 17.716 0.3 . 1 . . . . A 124 ILE CG2 . 34550 1 1375 . 1 . 1 124 124 ILE CD1 C 13 15.855 0.3 . 1 . . . . A 124 ILE CD1 . 34550 1 1376 . 1 . 1 124 124 ILE N N 15 119.111 0.3 . 1 . . . . A 124 ILE N . 34550 1 1377 . 1 . 1 125 125 GLN H H 1 7.943 0.020 . 1 . . . . A 125 GLN H . 34550 1 1378 . 1 . 1 125 125 GLN HA H 1 3.916 0.020 . 1 . . . . A 125 GLN HA . 34550 1 1379 . 1 . 1 125 125 GLN HB2 H 1 2.128 0.020 . 1 . . . . A 125 GLN HB2 . 34550 1 1380 . 1 . 1 125 125 GLN HB3 H 1 2.128 0.020 . 1 . . . . A 125 GLN HB3 . 34550 1 1381 . 1 . 1 125 125 GLN HG2 H 1 2.326 0.020 . 2 . . . . A 125 GLN HG2 . 34550 1 1382 . 1 . 1 125 125 GLN HG3 H 1 2.405 0.020 . 2 . . . . A 125 GLN HG3 . 34550 1 1383 . 1 . 1 125 125 GLN HE21 H 1 7.351 0.020 . 1 . . . . A 125 GLN HE21 . 34550 1 1384 . 1 . 1 125 125 GLN HE22 H 1 6.736 0.020 . 1 . . . . A 125 GLN HE22 . 34550 1 1385 . 1 . 1 125 125 GLN C C 13 177.583 0.3 . 1 . . . . A 125 GLN C . 34550 1 1386 . 1 . 1 125 125 GLN CA C 13 59.750 0.3 . 1 . . . . A 125 GLN CA . 34550 1 1387 . 1 . 1 125 125 GLN CB C 13 28.373 0.3 . 1 . . . . A 125 GLN CB . 34550 1 1388 . 1 . 1 125 125 GLN CG C 13 34.186 0.3 . 1 . . . . A 125 GLN CG . 34550 1 1389 . 1 . 1 125 125 GLN N N 15 119.188 0.3 . 1 . . . . A 125 GLN N . 34550 1 1390 . 1 . 1 125 125 GLN NE2 N 15 111.579 0.3 . 1 . . . . A 125 GLN NE2 . 34550 1 1391 . 1 . 1 126 126 MET H H 1 7.949 0.020 . 1 . . . . A 126 MET H . 34550 1 1392 . 1 . 1 126 126 MET HA H 1 4.073 0.020 . 1 . . . . A 126 MET HA . 34550 1 1393 . 1 . 1 126 126 MET HB2 H 1 2.154 0.020 . 1 . . . . A 126 MET HB2 . 34550 1 1394 . 1 . 1 126 126 MET HB3 H 1 2.154 0.020 . 1 . . . . A 126 MET HB3 . 34550 1 1395 . 1 . 1 126 126 MET HG2 H 1 2.465 0.020 . 2 . . . . A 126 MET HG2 . 34550 1 1396 . 1 . 1 126 126 MET HG3 H 1 2.626 0.020 . 2 . . . . A 126 MET HG3 . 34550 1 1397 . 1 . 1 126 126 MET HE1 H 1 1.978 0.020 . 1 . . . . A 126 MET HE1 . 34550 1 1398 . 1 . 1 126 126 MET HE2 H 1 1.978 0.020 . 1 . . . . A 126 MET HE2 . 34550 1 1399 . 1 . 1 126 126 MET HE3 H 1 1.978 0.020 . 1 . . . . A 126 MET HE3 . 34550 1 1400 . 1 . 1 126 126 MET C C 13 177.965 0.3 . 1 . . . . A 126 MET C . 34550 1 1401 . 1 . 1 126 126 MET CA C 13 59.048 0.3 . 1 . . . . A 126 MET CA . 34550 1 1402 . 1 . 1 126 126 MET CB C 13 33.196 0.3 . 1 . . . . A 126 MET CB . 34550 1 1403 . 1 . 1 126 126 MET CG C 13 32.191 0.3 . 1 . . . . A 126 MET CG . 34550 1 1404 . 1 . 1 126 126 MET CE C 13 17.369 0.3 . 1 . . . . A 126 MET CE . 34550 1 1405 . 1 . 1 126 126 MET N N 15 119.123 0.3 . 1 . . . . A 126 MET N . 34550 1 1406 . 1 . 1 127 127 LEU H H 1 8.345 0.020 . 1 . . . . A 127 LEU H . 34550 1 1407 . 1 . 1 127 127 LEU HA H 1 4.103 0.020 . 1 . . . . A 127 LEU HA . 34550 1 1408 . 1 . 1 127 127 LEU HB2 H 1 1.397 0.020 . 2 . . . . A 127 LEU HB2 . 34550 1 1409 . 1 . 1 127 127 LEU HB3 H 1 1.702 0.020 . 2 . . . . A 127 LEU HB3 . 34550 1 1410 . 1 . 1 127 127 LEU HG H 1 1.793 0.020 . 1 . . . . A 127 LEU HG . 34550 1 1411 . 1 . 1 127 127 LEU HD11 H 1 0.783 0.020 . 2 . . . . A 127 LEU HD11 . 34550 1 1412 . 1 . 1 127 127 LEU HD12 H 1 0.783 0.020 . 2 . . . . A 127 LEU HD12 . 34550 1 1413 . 1 . 1 127 127 LEU HD13 H 1 0.783 0.020 . 2 . . . . A 127 LEU HD13 . 34550 1 1414 . 1 . 1 127 127 LEU HD21 H 1 0.731 0.020 . 2 . . . . A 127 LEU HD21 . 34550 1 1415 . 1 . 1 127 127 LEU HD22 H 1 0.731 0.020 . 2 . . . . A 127 LEU HD22 . 34550 1 1416 . 1 . 1 127 127 LEU HD23 H 1 0.731 0.020 . 2 . . . . A 127 LEU HD23 . 34550 1 1417 . 1 . 1 127 127 LEU C C 13 178.118 0.3 . 1 . . . . A 127 LEU C . 34550 1 1418 . 1 . 1 127 127 LEU CA C 13 57.154 0.3 . 1 . . . . A 127 LEU CA . 34550 1 1419 . 1 . 1 127 127 LEU CB C 13 42.669 0.3 . 1 . . . . A 127 LEU CB . 34550 1 1420 . 1 . 1 127 127 LEU CG C 13 27.206 0.3 . 1 . . . . A 127 LEU CG . 34550 1 1421 . 1 . 1 127 127 LEU CD1 C 13 22.665 0.3 . 1 . . . . A 127 LEU CD1 . 34550 1 1422 . 1 . 1 127 127 LEU CD2 C 13 25.958 0.3 . 1 . . . . A 127 LEU CD2 . 34550 1 1423 . 1 . 1 127 127 LEU N N 15 118.711 0.3 . 1 . . . . A 127 LEU N . 34550 1 1424 . 1 . 1 128 128 SER H H 1 8.030 0.020 . 1 . . . . A 128 SER H . 34550 1 1425 . 1 . 1 128 128 SER HA H 1 4.270 0.020 . 1 . . . . A 128 SER HA . 34550 1 1426 . 1 . 1 128 128 SER HB2 H 1 3.932 0.020 . 2 . . . . A 128 SER HB2 . 34550 1 1427 . 1 . 1 128 128 SER HB3 H 1 3.805 0.020 . 2 . . . . A 128 SER HB3 . 34550 1 1428 . 1 . 1 128 128 SER C C 13 174.159 0.3 . 1 . . . . A 128 SER C . 34550 1 1429 . 1 . 1 128 128 SER CA C 13 60.331 0.3 . 1 . . . . A 128 SER CA . 34550 1 1430 . 1 . 1 128 128 SER CB C 13 63.965 0.3 . 1 . . . . A 128 SER CB . 34550 1 1431 . 1 . 1 128 128 SER N N 15 113.622 0.3 . 1 . . . . A 128 SER N . 34550 1 1432 . 1 . 1 129 129 GLN H H 1 7.665 0.020 . 1 . . . . A 129 GLN H . 34550 1 1433 . 1 . 1 129 129 GLN HA H 1 4.187 0.020 . 1 . . . . A 129 GLN HA . 34550 1 1434 . 1 . 1 129 129 GLN HB2 H 1 2.131 0.020 . 2 . . . . A 129 GLN HB2 . 34550 1 1435 . 1 . 1 129 129 GLN HB3 H 1 2.056 0.020 . 2 . . . . A 129 GLN HB3 . 34550 1 1436 . 1 . 1 129 129 GLN HG2 H 1 2.405 0.020 . 1 . . . . A 129 GLN HG2 . 34550 1 1437 . 1 . 1 129 129 GLN HG3 H 1 2.405 0.020 . 1 . . . . A 129 GLN HG3 . 34550 1 1438 . 1 . 1 129 129 GLN HE21 H 1 6.768 0.020 . 1 . . . . A 129 GLN HE21 . 34550 1 1439 . 1 . 1 129 129 GLN HE22 H 1 7.437 0.020 . 1 . . . . A 129 GLN HE22 . 34550 1 1440 . 1 . 1 129 129 GLN C C 13 175.519 0.3 . 1 . . . . A 129 GLN C . 34550 1 1441 . 1 . 1 129 129 GLN CA C 13 56.980 0.3 . 1 . . . . A 129 GLN CA . 34550 1 1442 . 1 . 1 129 129 GLN CB C 13 29.404 0.3 . 1 . . . . A 129 GLN CB . 34550 1 1443 . 1 . 1 129 129 GLN CG C 13 34.198 0.3 . 1 . . . . A 129 GLN CG . 34550 1 1444 . 1 . 1 129 129 GLN N N 15 120.240 0.3 . 1 . . . . A 129 GLN N . 34550 1 1445 . 1 . 1 129 129 GLN NE2 N 15 112.270 0.3 . 1 . . . . A 129 GLN NE2 . 34550 1 1446 . 1 . 1 130 130 GLU H H 1 7.999 0.020 . 1 . . . . A 130 GLU H . 34550 1 1447 . 1 . 1 130 130 GLU HA H 1 4.170 0.020 . 1 . . . . A 130 GLU HA . 34550 1 1448 . 1 . 1 130 130 GLU HB2 H 1 1.993 0.020 . 2 . . . . A 130 GLU HB2 . 34550 1 1449 . 1 . 1 130 130 GLU HB3 H 1 1.927 0.020 . 2 . . . . A 130 GLU HB3 . 34550 1 1450 . 1 . 1 130 130 GLU HG2 H 1 2.267 0.020 . 2 . . . . A 130 GLU HG2 . 34550 1 1451 . 1 . 1 130 130 GLU HG3 H 1 2.185 0.020 . 2 . . . . A 130 GLU HG3 . 34550 1 1452 . 1 . 1 130 130 GLU C C 13 175.779 0.3 . 1 . . . . A 130 GLU C . 34550 1 1453 . 1 . 1 130 130 GLU CA C 13 57.310 0.3 . 1 . . . . A 130 GLU CA . 34550 1 1454 . 1 . 1 130 130 GLU CB C 13 30.465 0.3 . 1 . . . . A 130 GLU CB . 34550 1 1455 . 1 . 1 130 130 GLU CG C 13 36.584 0.3 . 1 . . . . A 130 GLU CG . 34550 1 1456 . 1 . 1 130 130 GLU N N 15 120.025 0.3 . 1 . . . . A 130 GLU N . 34550 1 1457 . 1 . 1 131 131 GLN H H 1 8.094 0.020 . 1 . . . . A 131 GLN H . 34550 1 1458 . 1 . 1 131 131 GLN HA H 1 4.260 0.020 . 1 . . . . A 131 GLN HA . 34550 1 1459 . 1 . 1 131 131 GLN HB2 H 1 1.938 0.020 . 2 . . . . A 131 GLN HB2 . 34550 1 1460 . 1 . 1 131 131 GLN HB3 H 1 2.050 0.020 . 2 . . . . A 131 GLN HB3 . 34550 1 1461 . 1 . 1 131 131 GLN HG2 H 1 2.300 0.020 . 1 . . . . A 131 GLN HG2 . 34550 1 1462 . 1 . 1 131 131 GLN HG3 H 1 2.300 0.020 . 1 . . . . A 131 GLN HG3 . 34550 1 1463 . 1 . 1 131 131 GLN HE21 H 1 6.744 0.020 . 1 . . . . A 131 GLN HE21 . 34550 1 1464 . 1 . 1 131 131 GLN HE22 H 1 7.453 0.020 . 1 . . . . A 131 GLN HE22 . 34550 1 1465 . 1 . 1 131 131 GLN C C 13 175.106 0.3 . 1 . . . . A 131 GLN C . 34550 1 1466 . 1 . 1 131 131 GLN CA C 13 56.368 0.3 . 1 . . . . A 131 GLN CA . 34550 1 1467 . 1 . 1 131 131 GLN CB C 13 29.656 0.3 . 1 . . . . A 131 GLN CB . 34550 1 1468 . 1 . 1 131 131 GLN CG C 13 36.809 0.3 . 1 . . . . A 131 GLN CG . 34550 1 1469 . 1 . 1 131 131 GLN N N 15 119.962 0.3 . 1 . . . . A 131 GLN N . 34550 1 1470 . 1 . 1 131 131 GLN NE2 N 15 112.351 0.3 . 1 . . . . A 131 GLN NE2 . 34550 1 1471 . 1 . 1 132 132 ILE H H 1 8.005 0.020 . 1 . . . . A 132 ILE H . 34550 1 1472 . 1 . 1 132 132 ILE HA H 1 4.090 0.020 . 1 . . . . A 132 ILE HA . 34550 1 1473 . 1 . 1 132 132 ILE HB H 1 1.805 0.020 . 1 . . . . A 132 ILE HB . 34550 1 1474 . 1 . 1 132 132 ILE HG12 H 1 1.398 0.020 . 2 . . . . A 132 ILE HG12 . 34550 1 1475 . 1 . 1 132 132 ILE HG13 H 1 1.118 0.020 . 2 . . . . A 132 ILE HG13 . 34550 1 1476 . 1 . 1 132 132 ILE HG21 H 1 0.821 0.020 . 1 . . . . A 132 ILE HG21 . 34550 1 1477 . 1 . 1 132 132 ILE HG22 H 1 0.821 0.020 . 1 . . . . A 132 ILE HG22 . 34550 1 1478 . 1 . 1 132 132 ILE HG23 H 1 0.821 0.020 . 1 . . . . A 132 ILE HG23 . 34550 1 1479 . 1 . 1 132 132 ILE HD11 H 1 0.768 0.020 . 1 . . . . A 132 ILE HD11 . 34550 1 1480 . 1 . 1 132 132 ILE HD12 H 1 0.768 0.020 . 1 . . . . A 132 ILE HD12 . 34550 1 1481 . 1 . 1 132 132 ILE HD13 H 1 0.768 0.020 . 1 . . . . A 132 ILE HD13 . 34550 1 1482 . 1 . 1 132 132 ILE C C 13 174.923 0.3 . 1 . . . . A 132 ILE C . 34550 1 1483 . 1 . 1 132 132 ILE CA C 13 61.593 0.3 . 1 . . . . A 132 ILE CA . 34550 1 1484 . 1 . 1 132 132 ILE CB C 13 38.961 0.3 . 1 . . . . A 132 ILE CB . 34550 1 1485 . 1 . 1 132 132 ILE CG1 C 13 27.631 0.3 . 1 . . . . A 132 ILE CG1 . 34550 1 1486 . 1 . 1 132 132 ILE CG2 C 13 17.786 0.3 . 1 . . . . A 132 ILE CG2 . 34550 1 1487 . 1 . 1 132 132 ILE CD1 C 13 13.246 0.3 . 1 . . . . A 132 ILE CD1 . 34550 1 1488 . 1 . 1 132 132 ILE N N 15 121.338 0.3 . 1 . . . . A 132 ILE N . 34550 1 1489 . 1 . 1 133 133 ASN H H 1 8.354 0.020 . 1 . . . . A 133 ASN H . 34550 1 1490 . 1 . 1 133 133 ASN HA H 1 4.705 0.020 . 1 . . . . A 133 ASN HA . 34550 1 1491 . 1 . 1 133 133 ASN HB2 H 1 2.748 0.020 . 2 . . . . A 133 ASN HB2 . 34550 1 1492 . 1 . 1 133 133 ASN HB3 H 1 2.648 0.020 . 2 . . . . A 133 ASN HB3 . 34550 1 1493 . 1 . 1 133 133 ASN HD21 H 1 7.503 0.020 . 1 . . . . A 133 ASN HD21 . 34550 1 1494 . 1 . 1 133 133 ASN HD22 H 1 6.808 0.020 . 1 . . . . A 133 ASN HD22 . 34550 1 1495 . 1 . 1 133 133 ASN C C 13 173.853 0.3 . 1 . . . . A 133 ASN C . 34550 1 1496 . 1 . 1 133 133 ASN CA C 13 53.455 0.3 . 1 . . . . A 133 ASN CA . 34550 1 1497 . 1 . 1 133 133 ASN CB C 13 39.820 0.3 . 1 . . . . A 133 ASN CB . 34550 1 1498 . 1 . 1 133 133 ASN N N 15 122.360 0.3 . 1 . . . . A 133 ASN N . 34550 1 1499 . 1 . 1 133 133 ASN ND2 N 15 113.004 0.3 . 1 . . . . A 133 ASN ND2 . 34550 1 1500 . 1 . 1 134 134 GLU H H 1 8.238 0.020 . 1 . . . . A 134 GLU H . 34550 1 1501 . 1 . 1 134 134 GLU HA H 1 4.262 0.020 . 1 . . . . A 134 GLU HA . 34550 1 1502 . 1 . 1 134 134 GLU HB2 H 1 1.857 0.020 . 2 . . . . A 134 GLU HB2 . 34550 1 1503 . 1 . 1 134 134 GLU HB3 H 1 1.996 0.020 . 2 . . . . A 134 GLU HB3 . 34550 1 1504 . 1 . 1 134 134 GLU HG2 H 1 2.133 0.020 . 2 . . . . A 134 GLU HG2 . 34550 1 1505 . 1 . 1 134 134 GLU HG3 H 1 2.196 0.020 . 2 . . . . A 134 GLU HG3 . 34550 1 1506 . 1 . 1 134 134 GLU C C 13 174.510 0.3 . 1 . . . . A 134 GLU C . 34550 1 1507 . 1 . 1 134 134 GLU CA C 13 56.868 0.3 . 1 . . . . A 134 GLU CA . 34550 1 1508 . 1 . 1 134 134 GLU CB C 13 30.700 0.3 . 1 . . . . A 134 GLU CB . 34550 1 1509 . 1 . 1 134 134 GLU CG C 13 36.573 0.3 . 1 . . . . A 134 GLU CG . 34550 1 1510 . 1 . 1 134 134 GLU N N 15 122.147 0.3 . 1 . . . . A 134 GLU N . 34550 1 1511 . 1 . 1 135 135 VAL H H 1 7.674 0.020 . 1 . . . . A 135 VAL H . 34550 1 1512 . 1 . 1 135 135 VAL HA H 1 3.957 0.020 . 1 . . . . A 135 VAL HA . 34550 1 1513 . 1 . 1 135 135 VAL HB H 1 2.003 0.020 . 1 . . . . A 135 VAL HB . 34550 1 1514 . 1 . 1 135 135 VAL HG11 H 1 0.870 0.020 . 1 . . . . A 135 VAL HG11 . 34550 1 1515 . 1 . 1 135 135 VAL HG12 H 1 0.870 0.020 . 1 . . . . A 135 VAL HG12 . 34550 1 1516 . 1 . 1 135 135 VAL HG13 H 1 0.870 0.020 . 1 . . . . A 135 VAL HG13 . 34550 1 1517 . 1 . 1 135 135 VAL CA C 13 63.844 0.3 . 1 . . . . A 135 VAL CA . 34550 1 1518 . 1 . 1 135 135 VAL CB C 13 33.407 0.3 . 1 . . . . A 135 VAL CB . 34550 1 1519 . 1 . 1 135 135 VAL CG1 C 13 21.355 0.3 . 1 . . . . A 135 VAL CG1 . 34550 1 1520 . 1 . 1 135 135 VAL N N 15 124.949 0.3 . 1 . . . . A 135 VAL N . 34550 1 stop_ save_