data_34551 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34551 _Entry.Title ; NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-10 _Entry.Accession_date 2020-08-10 _Entry.Last_release_date 2020-09-01 _Entry.Original_release_date 2020-09-01 _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. . . . 34551 2 K. Kitoka K. . . . 34551 3 K. Walsh-White K. A. . . 34551 4 M. Kaldmae M. . . . 34551 5 M. Landreh M. . . . 34551 6 A. Rising A. . . . 34551 7 J. Johansson J. . . . 34551 8 K. Jaudzems K. . . . 34551 9 N. Kronqvist N. . . . 34551 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FLAGELLIFORM SPIDROIN' . 34551 'NT DOMAIN' . 34551 'STRUCTURAL PROTEIN' . 34551 'pH 5.5' . 34551 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34551 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 34551 '15N chemical shifts' 155 34551 '1H chemical shifts' 901 34551 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 2020-08-10 update BMRB 'update entry citation' 34551 1 . . 2021-08-17 2020-08-10 original author 'original release' 34551 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7A0O 'BMRB Entry Tracking System' 34551 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34551 _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. . . . 34551 1 2 Kristine Kitoka K. . . . 34551 1 3 Kellie-Ann Walsh-White K. A. . . 34551 1 4 Margit Kaldmae M. . . . 34551 1 5 Rimants Metlans R. . . . 34551 1 6 Kaspar Tars K. . . . 34551 1 7 Alessandro Mantese A. . . . 34551 1 8 Dipen Shah D. . . . 34551 1 9 Michael Landreh M. . . . 34551 1 10 Anna Rising A. . . . 34551 1 11 Jan Johansson J. . . . 34551 1 12 Kristaps Jaudzems K. . . . 34551 1 13 Nina Kronqvist N. . . . 34551 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34551 _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 . . . . . . 34551 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34551 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34551 _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,B _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 . 34551 1 2 . SER . 34551 1 3 . GLY . 34551 1 4 . ASN . 34551 1 5 . SER . 34551 1 6 . ALA . 34551 1 7 . SER . 34551 1 8 . GLN . 34551 1 9 . SER . 34551 1 10 . PRO . 34551 1 11 . PHE . 34551 1 12 . SER . 34551 1 13 . ASN . 34551 1 14 . PRO . 34551 1 15 . ASN . 34551 1 16 . THR . 34551 1 17 . ALA . 34551 1 18 . GLU . 34551 1 19 . ALA . 34551 1 20 . PHE . 34551 1 21 . ALA . 34551 1 22 . ARG . 34551 1 23 . SER . 34551 1 24 . PHE . 34551 1 25 . VAL . 34551 1 26 . SER . 34551 1 27 . ASN . 34551 1 28 . ILE . 34551 1 29 . VAL . 34551 1 30 . SER . 34551 1 31 . SER . 34551 1 32 . GLY . 34551 1 33 . GLU . 34551 1 34 . PHE . 34551 1 35 . GLY . 34551 1 36 . ALA . 34551 1 37 . GLN . 34551 1 38 . GLY . 34551 1 39 . ALA . 34551 1 40 . GLU . 34551 1 41 . ASP . 34551 1 42 . PHE . 34551 1 43 . ASP . 34551 1 44 . ASP . 34551 1 45 . ILE . 34551 1 46 . ILE . 34551 1 47 . GLN . 34551 1 48 . SER . 34551 1 49 . LEU . 34551 1 50 . ILE . 34551 1 51 . GLN . 34551 1 52 . ALA . 34551 1 53 . GLN . 34551 1 54 . SER . 34551 1 55 . MET . 34551 1 56 . GLY . 34551 1 57 . LYS . 34551 1 58 . GLY . 34551 1 59 . ARG . 34551 1 60 . HIS . 34551 1 61 . ASP . 34551 1 62 . THR . 34551 1 63 . LYS . 34551 1 64 . ALA . 34551 1 65 . LYS . 34551 1 66 . ALA . 34551 1 67 . LYS . 34551 1 68 . ALA . 34551 1 69 . MET . 34551 1 70 . GLN . 34551 1 71 . VAL . 34551 1 72 . ALA . 34551 1 73 . LEU . 34551 1 74 . ALA . 34551 1 75 . SER . 34551 1 76 . SER . 34551 1 77 . ILE . 34551 1 78 . ALA . 34551 1 79 . GLU . 34551 1 80 . LEU . 34551 1 81 . VAL . 34551 1 82 . ILE . 34551 1 83 . ALA . 34551 1 84 . GLU . 34551 1 85 . SER . 34551 1 86 . SER . 34551 1 87 . GLY . 34551 1 88 . GLY . 34551 1 89 . ASP . 34551 1 90 . VAL . 34551 1 91 . GLN . 34551 1 92 . ARG . 34551 1 93 . LYS . 34551 1 94 . THR . 34551 1 95 . ASN . 34551 1 96 . VAL . 34551 1 97 . ILE . 34551 1 98 . SER . 34551 1 99 . ASN . 34551 1 100 . ALA . 34551 1 101 . LEU . 34551 1 102 . ARG . 34551 1 103 . ASN . 34551 1 104 . ALA . 34551 1 105 . LEU . 34551 1 106 . MET . 34551 1 107 . SER . 34551 1 108 . THR . 34551 1 109 . THR . 34551 1 110 . GLY . 34551 1 111 . SER . 34551 1 112 . PRO . 34551 1 113 . ASN . 34551 1 114 . GLU . 34551 1 115 . GLU . 34551 1 116 . PHE . 34551 1 117 . VAL . 34551 1 118 . HIS . 34551 1 119 . GLU . 34551 1 120 . VAL . 34551 1 121 . GLN . 34551 1 122 . ASP . 34551 1 123 . LEU . 34551 1 124 . ILE . 34551 1 125 . GLN . 34551 1 126 . MET . 34551 1 127 . LEU . 34551 1 128 . SER . 34551 1 129 . GLN . 34551 1 130 . GLU . 34551 1 131 . GLN . 34551 1 132 . ILE . 34551 1 133 . ASN . 34551 1 134 . GLU . 34551 1 135 . VAL . 34551 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 34551 1 . SER 2 2 34551 1 . GLY 3 3 34551 1 . ASN 4 4 34551 1 . SER 5 5 34551 1 . ALA 6 6 34551 1 . SER 7 7 34551 1 . GLN 8 8 34551 1 . SER 9 9 34551 1 . PRO 10 10 34551 1 . PHE 11 11 34551 1 . SER 12 12 34551 1 . ASN 13 13 34551 1 . PRO 14 14 34551 1 . ASN 15 15 34551 1 . THR 16 16 34551 1 . ALA 17 17 34551 1 . GLU 18 18 34551 1 . ALA 19 19 34551 1 . PHE 20 20 34551 1 . ALA 21 21 34551 1 . ARG 22 22 34551 1 . SER 23 23 34551 1 . PHE 24 24 34551 1 . VAL 25 25 34551 1 . SER 26 26 34551 1 . ASN 27 27 34551 1 . ILE 28 28 34551 1 . VAL 29 29 34551 1 . SER 30 30 34551 1 . SER 31 31 34551 1 . GLY 32 32 34551 1 . GLU 33 33 34551 1 . PHE 34 34 34551 1 . GLY 35 35 34551 1 . ALA 36 36 34551 1 . GLN 37 37 34551 1 . GLY 38 38 34551 1 . ALA 39 39 34551 1 . GLU 40 40 34551 1 . ASP 41 41 34551 1 . PHE 42 42 34551 1 . ASP 43 43 34551 1 . ASP 44 44 34551 1 . ILE 45 45 34551 1 . ILE 46 46 34551 1 . GLN 47 47 34551 1 . SER 48 48 34551 1 . LEU 49 49 34551 1 . ILE 50 50 34551 1 . GLN 51 51 34551 1 . ALA 52 52 34551 1 . GLN 53 53 34551 1 . SER 54 54 34551 1 . MET 55 55 34551 1 . GLY 56 56 34551 1 . LYS 57 57 34551 1 . GLY 58 58 34551 1 . ARG 59 59 34551 1 . HIS 60 60 34551 1 . ASP 61 61 34551 1 . THR 62 62 34551 1 . LYS 63 63 34551 1 . ALA 64 64 34551 1 . LYS 65 65 34551 1 . ALA 66 66 34551 1 . LYS 67 67 34551 1 . ALA 68 68 34551 1 . MET 69 69 34551 1 . GLN 70 70 34551 1 . VAL 71 71 34551 1 . ALA 72 72 34551 1 . LEU 73 73 34551 1 . ALA 74 74 34551 1 . SER 75 75 34551 1 . SER 76 76 34551 1 . ILE 77 77 34551 1 . ALA 78 78 34551 1 . GLU 79 79 34551 1 . LEU 80 80 34551 1 . VAL 81 81 34551 1 . ILE 82 82 34551 1 . ALA 83 83 34551 1 . GLU 84 84 34551 1 . SER 85 85 34551 1 . SER 86 86 34551 1 . GLY 87 87 34551 1 . GLY 88 88 34551 1 . ASP 89 89 34551 1 . VAL 90 90 34551 1 . GLN 91 91 34551 1 . ARG 92 92 34551 1 . LYS 93 93 34551 1 . THR 94 94 34551 1 . ASN 95 95 34551 1 . VAL 96 96 34551 1 . ILE 97 97 34551 1 . SER 98 98 34551 1 . ASN 99 99 34551 1 . ALA 100 100 34551 1 . LEU 101 101 34551 1 . ARG 102 102 34551 1 . ASN 103 103 34551 1 . ALA 104 104 34551 1 . LEU 105 105 34551 1 . MET 106 106 34551 1 . SER 107 107 34551 1 . THR 108 108 34551 1 . THR 109 109 34551 1 . GLY 110 110 34551 1 . SER 111 111 34551 1 . PRO 112 112 34551 1 . ASN 113 113 34551 1 . GLU 114 114 34551 1 . GLU 115 115 34551 1 . PHE 116 116 34551 1 . VAL 117 117 34551 1 . HIS 118 118 34551 1 . GLU 119 119 34551 1 . VAL 120 120 34551 1 . GLN 121 121 34551 1 . ASP 122 122 34551 1 . LEU 123 123 34551 1 . ILE 124 124 34551 1 . GLN 125 125 34551 1 . MET 126 126 34551 1 . LEU 127 127 34551 1 . SER 128 128 34551 1 . GLN 129 129 34551 1 . GLU 130 130 34551 1 . GLN 131 131 34551 1 . ILE 132 132 34551 1 . ASN 133 133 34551 1 . GLU 134 134 34551 1 . VAL 135 135 34551 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 34551 _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 . 34551 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 34551 _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 . . . . . . . . . . . . 34551 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34551 _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 [U-100% 2H] sodium acetate, 20 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 . . . . 34551 1 2 'sodium acetate' '[U-100% 2H]' . . . . . . 20 . . mM . . . . 34551 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 34551 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 34551 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 34551 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 34551 _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' 0.04 . M 34551 1 pH 5.5 0.1 pH 34551 1 pressure 1 . atm 34551 1 temperature 298 0.1 K 34551 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34551 _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' . . 34551 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34551 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34551 _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' . . 34551 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34551 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34551 _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' . . 34551 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34551 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34551 _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' . . 34551 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34551 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34551 _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' . . 34551 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34551 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34551 _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' . . 34551 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34551 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 34551 _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 34551 _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 . . . 34551 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 34551 _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 . . . . . . . . . . . . . . . . . 34551 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34551 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34551 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34551 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34551 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34551 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 34551 _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 . . . . . 34551 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 34551 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.10132912 . . . . . 34551 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 34551 _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' . . . 34551 1 2 '3D 1H-13C NOESY aliphatic' . . . 34551 1 3 '3D 1H-13C NOESY aromatic' . . . 34551 1 4 '3D HN(CA)CO' . . . 34551 1 5 '3D CBCA(CO)NH' . . . 34551 1 6 '3D HNCA' . . . 34551 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 1 1 GLY HA2 H 1 3.815 0.020 . 1 . . . . A 1 GLY HA2 . 34551 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.815 0.020 . 1 . . . . A 1 GLY HA3 . 34551 1 3 . 1 . 1 1 1 GLY CA C 13 44.030 0.3 . 1 . . . . A 1 GLY CA . 34551 1 4 . 1 . 1 2 2 SER H H 1 8.651 0.020 . 1 . . . . A 2 SER H . 34551 1 5 . 1 . 1 2 2 SER HA H 1 4.298 0.020 . 1 . . . . A 2 SER HA . 34551 1 6 . 1 . 1 2 2 SER HB2 H 1 3.791 0.020 . 1 . . . . A 2 SER HB2 . 34551 1 7 . 1 . 1 2 2 SER HB3 H 1 3.791 0.020 . 1 . . . . A 2 SER HB3 . 34551 1 8 . 1 . 1 2 2 SER CA C 13 59.040 0.3 . 1 . . . . A 2 SER CA . 34551 1 9 . 1 . 1 2 2 SER CB C 13 64.757 0.3 . 1 . . . . A 2 SER CB . 34551 1 10 . 1 . 1 2 2 SER N N 15 117.195 0.3 . 1 . . . . A 2 SER N . 34551 1 11 . 1 . 1 3 3 GLY H H 1 8.510 0.020 . 1 . . . . A 3 GLY H . 34551 1 12 . 1 . 1 3 3 GLY HA2 H 1 3.867 0.020 . 1 . . . . A 3 GLY HA2 . 34551 1 13 . 1 . 1 3 3 GLY HA3 H 1 3.867 0.020 . 1 . . . . A 3 GLY HA3 . 34551 1 14 . 1 . 1 3 3 GLY CA C 13 46.147 0.3 . 1 . . . . A 3 GLY CA . 34551 1 15 . 1 . 1 3 3 GLY N N 15 112.406 0.3 . 1 . . . . A 3 GLY N . 34551 1 16 . 1 . 1 4 4 ASN H H 1 8.269 0.020 . 1 . . . . A 4 ASN H . 34551 1 17 . 1 . 1 4 4 ASN HA H 1 4.453 0.020 . 1 . . . . A 4 ASN HA . 34551 1 18 . 1 . 1 4 4 ASN HB2 H 1 2.738 0.020 . 2 . . . . A 4 ASN HB2 . 34551 1 19 . 1 . 1 4 4 ASN HB3 H 1 2.692 0.020 . 2 . . . . A 4 ASN HB3 . 34551 1 20 . 1 . 1 4 4 ASN HD21 H 1 6.916 0.020 . 1 . . . . A 4 ASN HD21 . 34551 1 21 . 1 . 1 4 4 ASN HD22 H 1 7.579 0.020 . 1 . . . . A 4 ASN HD22 . 34551 1 22 . 1 . 1 4 4 ASN CA C 13 53.545 0.3 . 1 . . . . A 4 ASN CA . 34551 1 23 . 1 . 1 4 4 ASN CB C 13 39.593 0.3 . 1 . . . . A 4 ASN CB . 34551 1 24 . 1 . 1 4 4 ASN N N 15 120.321 0.3 . 1 . . . . A 4 ASN N . 34551 1 25 . 1 . 1 4 4 ASN ND2 N 15 115.282 0.3 . 1 . . . . A 4 ASN ND2 . 34551 1 26 . 1 . 1 5 5 SER H H 1 8.277 0.020 . 1 . . . . A 5 SER H . 34551 1 27 . 1 . 1 5 5 SER HA H 1 4.306 0.020 . 1 . . . . A 5 SER HA . 34551 1 28 . 1 . 1 5 5 SER HB2 H 1 3.766 0.020 . 2 . . . . A 5 SER HB2 . 34551 1 29 . 1 . 1 5 5 SER HB3 H 1 3.793 0.020 . 2 . . . . A 5 SER HB3 . 34551 1 30 . 1 . 1 5 5 SER CA C 13 59.308 0.3 . 1 . . . . A 5 SER CA . 34551 1 31 . 1 . 1 5 5 SER CB C 13 64.493 0.3 . 1 . . . . A 5 SER CB . 34551 1 32 . 1 . 1 5 5 SER N N 15 118.091 0.3 . 1 . . . . A 5 SER N . 34551 1 33 . 1 . 1 6 6 ALA H H 1 8.260 0.020 . 1 . . . . A 6 ALA H . 34551 1 34 . 1 . 1 6 6 ALA HA H 1 4.230 0.020 . 1 . . . . A 6 ALA HA . 34551 1 35 . 1 . 1 6 6 ALA HB1 H 1 1.289 0.020 . 1 . . . . A 6 ALA HB1 . 34551 1 36 . 1 . 1 6 6 ALA HB2 H 1 1.289 0.020 . 1 . . . . A 6 ALA HB2 . 34551 1 37 . 1 . 1 6 6 ALA HB3 H 1 1.289 0.020 . 1 . . . . A 6 ALA HB3 . 34551 1 38 . 1 . 1 6 6 ALA CA C 13 53.482 0.3 . 1 . . . . A 6 ALA CA . 34551 1 39 . 1 . 1 6 6 ALA CB C 13 19.688 0.3 . 1 . . . . A 6 ALA CB . 34551 1 40 . 1 . 1 6 6 ALA N N 15 127.106 0.3 . 1 . . . . A 6 ALA N . 34551 1 41 . 1 . 1 7 7 SER H H 1 8.054 0.020 . 1 . . . . A 7 SER H . 34551 1 42 . 1 . 1 7 7 SER HA H 1 4.277 0.020 . 1 . . . . A 7 SER HA . 34551 1 43 . 1 . 1 7 7 SER HB2 H 1 3.745 0.020 . 2 . . . . A 7 SER HB2 . 34551 1 44 . 1 . 1 7 7 SER HB3 H 1 3.706 0.020 . 2 . . . . A 7 SER HB3 . 34551 1 45 . 1 . 1 7 7 SER CA C 13 59.058 0.3 . 1 . . . . A 7 SER CA . 34551 1 46 . 1 . 1 7 7 SER CB C 13 64.345 0.3 . 1 . . . . A 7 SER CB . 34551 1 47 . 1 . 1 7 7 SER N N 15 115.752 0.3 . 1 . . . . A 7 SER N . 34551 1 48 . 1 . 1 8 8 GLN H H 1 8.138 0.020 . 1 . . . . A 8 GLN H . 34551 1 49 . 1 . 1 8 8 GLN HA H 1 4.250 0.020 . 1 . . . . A 8 GLN HA . 34551 1 50 . 1 . 1 8 8 GLN HB2 H 1 1.816 0.020 . 2 . . . . A 8 GLN HB2 . 34551 1 51 . 1 . 1 8 8 GLN HB3 H 1 1.992 0.020 . 2 . . . . A 8 GLN HB3 . 34551 1 52 . 1 . 1 8 8 GLN HG2 H 1 2.219 0.020 . 1 . . . . A 8 GLN HG2 . 34551 1 53 . 1 . 1 8 8 GLN HG3 H 1 2.219 0.020 . 1 . . . . A 8 GLN HG3 . 34551 1 54 . 1 . 1 8 8 GLN HE21 H 1 6.727 0.020 . 1 . . . . A 8 GLN HE21 . 34551 1 55 . 1 . 1 8 8 GLN HE22 H 1 7.343 0.020 . 1 . . . . A 8 GLN HE22 . 34551 1 56 . 1 . 1 8 8 GLN CA C 13 55.973 0.3 . 1 . . . . A 8 GLN CA . 34551 1 57 . 1 . 1 8 8 GLN CB C 13 30.324 0.3 . 1 . . . . A 8 GLN CB . 34551 1 58 . 1 . 1 8 8 GLN CG C 13 34.464 0.3 . 1 . . . . A 8 GLN CG . 34551 1 59 . 1 . 1 8 8 GLN N N 15 123.115 0.3 . 1 . . . . A 8 GLN N . 34551 1 60 . 1 . 1 8 8 GLN NE2 N 15 113.558 0.3 . 1 . . . . A 8 GLN NE2 . 34551 1 61 . 1 . 1 9 9 SER H H 1 8.121 0.020 . 1 . . . . A 9 SER H . 34551 1 62 . 1 . 1 9 9 SER HA H 1 4.502 0.020 . 1 . . . . A 9 SER HA . 34551 1 63 . 1 . 1 9 9 SER HB2 H 1 3.596 0.020 . 2 . . . . A 9 SER HB2 . 34551 1 64 . 1 . 1 9 9 SER HB3 H 1 3.794 0.020 . 2 . . . . A 9 SER HB3 . 34551 1 65 . 1 . 1 9 9 SER CA C 13 55.492 0.3 . 1 . . . . A 9 SER CA . 34551 1 66 . 1 . 1 9 9 SER CB C 13 64.807 0.3 . 1 . . . . A 9 SER CB . 34551 1 67 . 1 . 1 9 9 SER N N 15 117.622 0.3 . 1 . . . . A 9 SER N . 34551 1 68 . 1 . 1 10 10 PRO HA H 1 3.951 0.020 . 1 . . . . A 10 PRO HA . 34551 1 69 . 1 . 1 10 10 PRO HB2 H 1 0.513 0.020 . 2 . . . . A 10 PRO HB2 . 34551 1 70 . 1 . 1 10 10 PRO HB3 H 1 1.302 0.020 . 2 . . . . A 10 PRO HB3 . 34551 1 71 . 1 . 1 10 10 PRO HG2 H 1 0.185 0.020 . 2 . . . . A 10 PRO HG2 . 34551 1 72 . 1 . 1 10 10 PRO HG3 H 1 0.801 0.020 . 2 . . . . A 10 PRO HG3 . 34551 1 73 . 1 . 1 10 10 PRO HD2 H 1 3.127 0.020 . 2 . . . . A 10 PRO HD2 . 34551 1 74 . 1 . 1 10 10 PRO HD3 H 1 3.001 0.020 . 2 . . . . A 10 PRO HD3 . 34551 1 75 . 1 . 1 10 10 PRO CA C 13 64.199 0.3 . 1 . . . . A 10 PRO CA . 34551 1 76 . 1 . 1 10 10 PRO CB C 13 31.812 0.3 . 1 . . . . A 10 PRO CB . 34551 1 77 . 1 . 1 10 10 PRO CG C 13 26.494 0.3 . 1 . . . . A 10 PRO CG . 34551 1 78 . 1 . 1 10 10 PRO CD C 13 50.519 0.3 . 1 . . . . A 10 PRO CD . 34551 1 79 . 1 . 1 11 11 PHE H H 1 7.082 0.020 . 1 . . . . A 11 PHE H . 34551 1 80 . 1 . 1 11 11 PHE HA H 1 4.368 0.020 . 1 . . . . A 11 PHE HA . 34551 1 81 . 1 . 1 11 11 PHE HB2 H 1 2.438 0.020 . 2 . . . . A 11 PHE HB2 . 34551 1 82 . 1 . 1 11 11 PHE HB3 H 1 3.184 0.020 . 2 . . . . A 11 PHE HB3 . 34551 1 83 . 1 . 1 11 11 PHE HD1 H 1 6.702 0.020 . 1 . . . . A 11 PHE HD1 . 34551 1 84 . 1 . 1 11 11 PHE HD2 H 1 6.702 0.020 . 1 . . . . A 11 PHE HD2 . 34551 1 85 . 1 . 1 11 11 PHE HE1 H 1 6.696 0.020 . 1 . . . . A 11 PHE HE1 . 34551 1 86 . 1 . 1 11 11 PHE HE2 H 1 6.696 0.020 . 1 . . . . A 11 PHE HE2 . 34551 1 87 . 1 . 1 11 11 PHE HZ H 1 6.374 0.020 . 1 . . . . A 11 PHE HZ . 34551 1 88 . 1 . 1 11 11 PHE CA C 13 56.464 0.3 . 1 . . . . A 11 PHE CA . 34551 1 89 . 1 . 1 11 11 PHE CB C 13 38.606 0.3 . 1 . . . . A 11 PHE CB . 34551 1 90 . 1 . 1 11 11 PHE CD1 C 13 130.354 0.3 . 1 . . . . A 11 PHE CD1 . 34551 1 91 . 1 . 1 11 11 PHE CE1 C 13 130.707 0.3 . 1 . . . . A 11 PHE CE1 . 34551 1 92 . 1 . 1 11 11 PHE CZ C 13 130.229 0.3 . 1 . . . . A 11 PHE CZ . 34551 1 93 . 1 . 1 11 11 PHE N N 15 114.002 0.3 . 1 . . . . A 11 PHE N . 34551 1 94 . 1 . 1 12 12 SER H H 1 7.426 0.020 . 1 . . . . A 12 SER H . 34551 1 95 . 1 . 1 12 12 SER HA H 1 4.100 0.020 . 1 . . . . A 12 SER HA . 34551 1 96 . 1 . 1 12 12 SER HB2 H 1 3.821 0.020 . 2 . . . . A 12 SER HB2 . 34551 1 97 . 1 . 1 12 12 SER HB3 H 1 3.847 0.020 . 2 . . . . A 12 SER HB3 . 34551 1 98 . 1 . 1 12 12 SER CA C 13 60.940 0.3 . 1 . . . . A 12 SER CA . 34551 1 99 . 1 . 1 12 12 SER CB C 13 64.131 0.3 . 1 . . . . A 12 SER CB . 34551 1 100 . 1 . 1 12 12 SER N N 15 114.919 0.3 . 1 . . . . A 12 SER N . 34551 1 101 . 1 . 1 13 13 ASN H H 1 7.411 0.020 . 1 . . . . A 13 ASN H . 34551 1 102 . 1 . 1 13 13 ASN HA H 1 5.020 0.020 . 1 . . . . A 13 ASN HA . 34551 1 103 . 1 . 1 13 13 ASN HB2 H 1 2.964 0.020 . 2 . . . . A 13 ASN HB2 . 34551 1 104 . 1 . 1 13 13 ASN HB3 H 1 2.704 0.020 . 2 . . . . A 13 ASN HB3 . 34551 1 105 . 1 . 1 13 13 ASN HD21 H 1 7.079 0.020 . 1 . . . . A 13 ASN HD21 . 34551 1 106 . 1 . 1 13 13 ASN HD22 H 1 7.642 0.020 . 1 . . . . A 13 ASN HD22 . 34551 1 107 . 1 . 1 13 13 ASN CA C 13 51.162 0.3 . 1 . . . . A 13 ASN CA . 34551 1 108 . 1 . 1 13 13 ASN CB C 13 40.521 0.3 . 1 . . . . A 13 ASN CB . 34551 1 109 . 1 . 1 13 13 ASN N N 15 120.246 0.3 . 1 . . . . A 13 ASN N . 34551 1 110 . 1 . 1 13 13 ASN ND2 N 15 116.293 0.3 . 1 . . . . A 13 ASN ND2 . 34551 1 111 . 1 . 1 14 14 PRO HA H 1 4.208 0.020 . 1 . . . . A 14 PRO HA . 34551 1 112 . 1 . 1 14 14 PRO HB2 H 1 2.293 0.020 . 2 . . . . A 14 PRO HB2 . 34551 1 113 . 1 . 1 14 14 PRO HB3 H 1 1.895 0.020 . 2 . . . . A 14 PRO HB3 . 34551 1 114 . 1 . 1 14 14 PRO HG2 H 1 1.939 0.020 . 2 . . . . A 14 PRO HG2 . 34551 1 115 . 1 . 1 14 14 PRO HG3 H 1 1.992 0.020 . 2 . . . . A 14 PRO HG3 . 34551 1 116 . 1 . 1 14 14 PRO HD2 H 1 3.816 0.020 . 2 . . . . A 14 PRO HD2 . 34551 1 117 . 1 . 1 14 14 PRO HD3 H 1 3.776 0.020 . 2 . . . . A 14 PRO HD3 . 34551 1 118 . 1 . 1 14 14 PRO CA C 13 65.833 0.3 . 1 . . . . A 14 PRO CA . 34551 1 119 . 1 . 1 14 14 PRO CB C 13 32.776 0.3 . 1 . . . . A 14 PRO CB . 34551 1 120 . 1 . 1 14 14 PRO CG C 13 28.145 0.3 . 1 . . . . A 14 PRO CG . 34551 1 121 . 1 . 1 14 14 PRO CD C 13 51.565 0.3 . 1 . . . . A 14 PRO CD . 34551 1 122 . 1 . 1 15 15 ASN H H 1 8.190 0.020 . 1 . . . . A 15 ASN H . 34551 1 123 . 1 . 1 15 15 ASN HA H 1 4.453 0.020 . 1 . . . . A 15 ASN HA . 34551 1 124 . 1 . 1 15 15 ASN HB2 H 1 2.756 0.020 . 2 . . . . A 15 ASN HB2 . 34551 1 125 . 1 . 1 15 15 ASN HB3 H 1 2.792 0.020 . 2 . . . . A 15 ASN HB3 . 34551 1 126 . 1 . 1 15 15 ASN HD21 H 1 6.911 0.020 . 1 . . . . A 15 ASN HD21 . 34551 1 127 . 1 . 1 15 15 ASN HD22 H 1 7.581 0.020 . 1 . . . . A 15 ASN HD22 . 34551 1 128 . 1 . 1 15 15 ASN CA C 13 57.001 0.3 . 1 . . . . A 15 ASN CA . 34551 1 129 . 1 . 1 15 15 ASN CB C 13 38.870 0.3 . 1 . . . . A 15 ASN CB . 34551 1 130 . 1 . 1 15 15 ASN N N 15 117.543 0.3 . 1 . . . . A 15 ASN N . 34551 1 131 . 1 . 1 15 15 ASN ND2 N 15 115.375 0.3 . 1 . . . . A 15 ASN ND2 . 34551 1 132 . 1 . 1 16 16 THR H H 1 7.879 0.020 . 1 . . . . A 16 THR H . 34551 1 133 . 1 . 1 16 16 THR HA H 1 3.997 0.020 . 1 . . . . A 16 THR HA . 34551 1 134 . 1 . 1 16 16 THR HB H 1 4.135 0.020 . 1 . . . . A 16 THR HB . 34551 1 135 . 1 . 1 16 16 THR HG21 H 1 1.106 0.020 . 1 . . . . A 16 THR HG21 . 34551 1 136 . 1 . 1 16 16 THR HG22 H 1 1.106 0.020 . 1 . . . . A 16 THR HG22 . 34551 1 137 . 1 . 1 16 16 THR HG23 H 1 1.106 0.020 . 1 . . . . A 16 THR HG23 . 34551 1 138 . 1 . 1 16 16 THR CA C 13 66.144 0.3 . 1 . . . . A 16 THR CA . 34551 1 139 . 1 . 1 16 16 THR CB C 13 69.260 0.3 . 1 . . . . A 16 THR CB . 34551 1 140 . 1 . 1 16 16 THR CG2 C 13 23.214 0.3 . 1 . . . . A 16 THR CG2 . 34551 1 141 . 1 . 1 16 16 THR N N 15 119.264 0.3 . 1 . . . . A 16 THR N . 34551 1 142 . 1 . 1 17 17 ALA H H 1 8.327 0.020 . 1 . . . . A 17 ALA H . 34551 1 143 . 1 . 1 17 17 ALA HA H 1 3.873 0.020 . 1 . . . . A 17 ALA HA . 34551 1 144 . 1 . 1 17 17 ALA HB1 H 1 1.390 0.020 . 1 . . . . A 17 ALA HB1 . 34551 1 145 . 1 . 1 17 17 ALA HB2 H 1 1.390 0.020 . 1 . . . . A 17 ALA HB2 . 34551 1 146 . 1 . 1 17 17 ALA HB3 H 1 1.390 0.020 . 1 . . . . A 17 ALA HB3 . 34551 1 147 . 1 . 1 17 17 ALA CA C 13 56.823 0.3 . 1 . . . . A 17 ALA CA . 34551 1 148 . 1 . 1 17 17 ALA CB C 13 19.541 0.3 . 1 . . . . A 17 ALA CB . 34551 1 149 . 1 . 1 17 17 ALA N N 15 126.433 0.3 . 1 . . . . A 17 ALA N . 34551 1 150 . 1 . 1 18 18 GLU H H 1 7.910 0.020 . 1 . . . . A 18 GLU H . 34551 1 151 . 1 . 1 18 18 GLU HA H 1 4.023 0.020 . 1 . . . . A 18 GLU HA . 34551 1 152 . 1 . 1 18 18 GLU HB2 H 1 2.088 0.020 . 2 . . . . A 18 GLU HB2 . 34551 1 153 . 1 . 1 18 18 GLU HB3 H 1 2.000 0.020 . 2 . . . . A 18 GLU HB3 . 34551 1 154 . 1 . 1 18 18 GLU HG2 H 1 2.403 0.020 . 1 . . . . A 18 GLU HG2 . 34551 1 155 . 1 . 1 18 18 GLU HG3 H 1 2.403 0.020 . 1 . . . . A 18 GLU HG3 . 34551 1 156 . 1 . 1 18 18 GLU CA C 13 59.483 0.3 . 1 . . . . A 18 GLU CA . 34551 1 157 . 1 . 1 18 18 GLU CB C 13 29.274 0.3 . 1 . . . . A 18 GLU CB . 34551 1 158 . 1 . 1 18 18 GLU CG C 13 35.515 0.3 . 1 . . . . A 18 GLU CG . 34551 1 159 . 1 . 1 18 18 GLU N N 15 117.147 0.3 . 1 . . . . A 18 GLU N . 34551 1 160 . 1 . 1 19 19 ALA H H 1 7.734 0.020 . 1 . . . . A 19 ALA H . 34551 1 161 . 1 . 1 19 19 ALA HA H 1 4.052 0.020 . 1 . . . . A 19 ALA HA . 34551 1 162 . 1 . 1 19 19 ALA HB1 H 1 1.501 0.020 . 1 . . . . A 19 ALA HB1 . 34551 1 163 . 1 . 1 19 19 ALA HB2 H 1 1.501 0.020 . 1 . . . . A 19 ALA HB2 . 34551 1 164 . 1 . 1 19 19 ALA HB3 H 1 1.501 0.020 . 1 . . . . A 19 ALA HB3 . 34551 1 165 . 1 . 1 19 19 ALA CA C 13 56.007 0.3 . 1 . . . . A 19 ALA CA . 34551 1 166 . 1 . 1 19 19 ALA CB C 13 18.534 0.3 . 1 . . . . A 19 ALA CB . 34551 1 167 . 1 . 1 19 19 ALA N N 15 124.559 0.3 . 1 . . . . A 19 ALA N . 34551 1 168 . 1 . 1 20 20 PHE H H 1 8.830 0.020 . 1 . . . . A 20 PHE H . 34551 1 169 . 1 . 1 20 20 PHE HA H 1 4.072 0.020 . 1 . . . . A 20 PHE HA . 34551 1 170 . 1 . 1 20 20 PHE HB2 H 1 3.189 0.020 . 2 . . . . A 20 PHE HB2 . 34551 1 171 . 1 . 1 20 20 PHE HB3 H 1 3.126 0.020 . 2 . . . . A 20 PHE HB3 . 34551 1 172 . 1 . 1 20 20 PHE HD1 H 1 6.868 0.020 . 1 . . . . A 20 PHE HD1 . 34551 1 173 . 1 . 1 20 20 PHE HD2 H 1 6.868 0.020 . 1 . . . . A 20 PHE HD2 . 34551 1 174 . 1 . 1 20 20 PHE HE1 H 1 6.374 0.020 . 1 . . . . A 20 PHE HE1 . 34551 1 175 . 1 . 1 20 20 PHE HE2 H 1 6.374 0.020 . 1 . . . . A 20 PHE HE2 . 34551 1 176 . 1 . 1 20 20 PHE HZ H 1 5.966 0.020 . 1 . . . . A 20 PHE HZ . 34551 1 177 . 1 . 1 20 20 PHE CA C 13 61.767 0.3 . 1 . . . . A 20 PHE CA . 34551 1 178 . 1 . 1 20 20 PHE CB C 13 38.244 0.3 . 1 . . . . A 20 PHE CB . 34551 1 179 . 1 . 1 20 20 PHE CD1 C 13 132.453 0.3 . 1 . . . . A 20 PHE CD1 . 34551 1 180 . 1 . 1 20 20 PHE CE1 C 13 128.314 0.3 . 1 . . . . A 20 PHE CE1 . 34551 1 181 . 1 . 1 20 20 PHE CZ C 13 128.889 0.3 . 1 . . . . A 20 PHE CZ . 34551 1 182 . 1 . 1 20 20 PHE N N 15 122.438 0.3 . 1 . . . . A 20 PHE N . 34551 1 183 . 1 . 1 21 21 ALA H H 1 8.397 0.020 . 1 . . . . A 21 ALA H . 34551 1 184 . 1 . 1 21 21 ALA HA H 1 3.359 0.020 . 1 . . . . A 21 ALA HA . 34551 1 185 . 1 . 1 21 21 ALA HB1 H 1 1.441 0.020 . 1 . . . . A 21 ALA HB1 . 34551 1 186 . 1 . 1 21 21 ALA HB2 H 1 1.441 0.020 . 1 . . . . A 21 ALA HB2 . 34551 1 187 . 1 . 1 21 21 ALA HB3 H 1 1.441 0.020 . 1 . . . . A 21 ALA HB3 . 34551 1 188 . 1 . 1 21 21 ALA CA C 13 56.565 0.3 . 1 . . . . A 21 ALA CA . 34551 1 189 . 1 . 1 21 21 ALA CB C 13 19.444 0.3 . 1 . . . . A 21 ALA CB . 34551 1 190 . 1 . 1 21 21 ALA N N 15 124.986 0.3 . 1 . . . . A 21 ALA N . 34551 1 191 . 1 . 1 22 22 ARG H H 1 7.983 0.020 . 1 . . . . A 22 ARG H . 34551 1 192 . 1 . 1 22 22 ARG HA H 1 3.881 0.020 . 1 . . . . A 22 ARG HA . 34551 1 193 . 1 . 1 22 22 ARG HB2 H 1 1.768 0.020 . 2 . . . . A 22 ARG HB2 . 34551 1 194 . 1 . 1 22 22 ARG HB3 H 1 1.841 0.020 . 2 . . . . A 22 ARG HB3 . 34551 1 195 . 1 . 1 22 22 ARG HG2 H 1 1.740 0.020 . 2 . . . . A 22 ARG HG2 . 34551 1 196 . 1 . 1 22 22 ARG HG3 H 1 1.573 0.020 . 2 . . . . A 22 ARG HG3 . 34551 1 197 . 1 . 1 22 22 ARG HD2 H 1 3.100 0.020 . 2 . . . . A 22 ARG HD2 . 34551 1 198 . 1 . 1 22 22 ARG HD3 H 1 3.191 0.020 . 2 . . . . A 22 ARG HD3 . 34551 1 199 . 1 . 1 22 22 ARG HE H 1 7.150 0.020 . 1 . . . . A 22 ARG HE . 34551 1 200 . 1 . 1 22 22 ARG CA C 13 59.699 0.3 . 1 . . . . A 22 ARG CA . 34551 1 201 . 1 . 1 22 22 ARG CB C 13 30.855 0.3 . 1 . . . . A 22 ARG CB . 34551 1 202 . 1 . 1 22 22 ARG CG C 13 28.042 0.3 . 1 . . . . A 22 ARG CG . 34551 1 203 . 1 . 1 22 22 ARG CD C 13 43.933 0.3 . 1 . . . . A 22 ARG CD . 34551 1 204 . 1 . 1 22 22 ARG N N 15 117.279 0.3 . 1 . . . . A 22 ARG N . 34551 1 205 . 1 . 1 22 22 ARG NE N 15 85.970 0.3 . 1 . . . . A 22 ARG NE . 34551 1 206 . 1 . 1 23 23 SER H H 1 7.902 0.020 . 1 . . . . A 23 SER H . 34551 1 207 . 1 . 1 23 23 SER HA H 1 4.064 0.020 . 1 . . . . A 23 SER HA . 34551 1 208 . 1 . 1 23 23 SER HB2 H 1 3.754 0.020 . 2 . . . . A 23 SER HB2 . 34551 1 209 . 1 . 1 23 23 SER HB3 H 1 3.832 0.020 . 2 . . . . A 23 SER HB3 . 34551 1 210 . 1 . 1 23 23 SER CA C 13 62.341 0.3 . 1 . . . . A 23 SER CA . 34551 1 211 . 1 . 1 23 23 SER CB C 13 63.922 0.3 . 1 . . . . A 23 SER CB . 34551 1 212 . 1 . 1 23 23 SER N N 15 117.036 0.3 . 1 . . . . A 23 SER N . 34551 1 213 . 1 . 1 24 24 PHE H H 1 8.960 0.020 . 1 . . . . A 24 PHE H . 34551 1 214 . 1 . 1 24 24 PHE HA H 1 4.009 0.020 . 1 . . . . A 24 PHE HA . 34551 1 215 . 1 . 1 24 24 PHE HB2 H 1 2.409 0.020 . 2 . . . . A 24 PHE HB2 . 34551 1 216 . 1 . 1 24 24 PHE HB3 H 1 2.256 0.020 . 2 . . . . A 24 PHE HB3 . 34551 1 217 . 1 . 1 24 24 PHE HD1 H 1 6.781 0.020 . 1 . . . . A 24 PHE HD1 . 34551 1 218 . 1 . 1 24 24 PHE HD2 H 1 6.781 0.020 . 1 . . . . A 24 PHE HD2 . 34551 1 219 . 1 . 1 24 24 PHE HE1 H 1 7.091 0.020 . 1 . . . . A 24 PHE HE1 . 34551 1 220 . 1 . 1 24 24 PHE HE2 H 1 7.091 0.020 . 1 . . . . A 24 PHE HE2 . 34551 1 221 . 1 . 1 24 24 PHE HZ H 1 6.810 0.020 . 1 . . . . A 24 PHE HZ . 34551 1 222 . 1 . 1 24 24 PHE CA C 13 60.662 0.3 . 1 . . . . A 24 PHE CA . 34551 1 223 . 1 . 1 24 24 PHE CB C 13 39.542 0.3 . 1 . . . . A 24 PHE CB . 34551 1 224 . 1 . 1 24 24 PHE CD1 C 13 130.871 0.3 . 1 . . . . A 24 PHE CD1 . 34551 1 225 . 1 . 1 24 24 PHE CE1 C 13 131.171 0.3 . 1 . . . . A 24 PHE CE1 . 34551 1 226 . 1 . 1 24 24 PHE CZ C 13 128.768 0.3 . 1 . . . . A 24 PHE CZ . 34551 1 227 . 1 . 1 24 24 PHE N N 15 123.015 0.3 . 1 . . . . A 24 PHE N . 34551 1 228 . 1 . 1 25 25 VAL H H 1 8.047 0.020 . 1 . . . . A 25 VAL H . 34551 1 229 . 1 . 1 25 25 VAL HA H 1 2.950 0.020 . 1 . . . . A 25 VAL HA . 34551 1 230 . 1 . 1 25 25 VAL HB H 1 1.927 0.020 . 1 . . . . A 25 VAL HB . 34551 1 231 . 1 . 1 25 25 VAL HG11 H 1 0.927 0.020 . 2 . . . . A 25 VAL HG11 . 34551 1 232 . 1 . 1 25 25 VAL HG12 H 1 0.927 0.020 . 2 . . . . A 25 VAL HG12 . 34551 1 233 . 1 . 1 25 25 VAL HG13 H 1 0.927 0.020 . 2 . . . . A 25 VAL HG13 . 34551 1 234 . 1 . 1 25 25 VAL HG21 H 1 0.741 0.020 . 2 . . . . A 25 VAL HG21 . 34551 1 235 . 1 . 1 25 25 VAL HG22 H 1 0.741 0.020 . 2 . . . . A 25 VAL HG22 . 34551 1 236 . 1 . 1 25 25 VAL HG23 H 1 0.741 0.020 . 2 . . . . A 25 VAL HG23 . 34551 1 237 . 1 . 1 25 25 VAL CA C 13 67.816 0.3 . 1 . . . . A 25 VAL CA . 34551 1 238 . 1 . 1 25 25 VAL CB C 13 31.875 0.3 . 1 . . . . A 25 VAL CB . 34551 1 239 . 1 . 1 25 25 VAL CG1 C 13 23.838 0.3 . 1 . . . . A 25 VAL CG1 . 34551 1 240 . 1 . 1 25 25 VAL CG2 C 13 21.745 0.3 . 1 . . . . A 25 VAL CG2 . 34551 1 241 . 1 . 1 25 25 VAL N N 15 119.317 0.3 . 1 . . . . A 25 VAL N . 34551 1 242 . 1 . 1 26 26 SER H H 1 7.837 0.020 . 1 . . . . A 26 SER H . 34551 1 243 . 1 . 1 26 26 SER HA H 1 4.074 0.020 . 1 . . . . A 26 SER HA . 34551 1 244 . 1 . 1 26 26 SER HB2 H 1 3.910 0.020 . 2 . . . . A 26 SER HB2 . 34551 1 245 . 1 . 1 26 26 SER HB3 H 1 3.878 0.020 . 2 . . . . A 26 SER HB3 . 34551 1 246 . 1 . 1 26 26 SER CA C 13 62.735 0.3 . 1 . . . . A 26 SER CA . 34551 1 247 . 1 . 1 26 26 SER CB C 13 63.696 0.3 . 1 . . . . A 26 SER CB . 34551 1 248 . 1 . 1 26 26 SER N N 15 116.466 0.3 . 1 . . . . A 26 SER N . 34551 1 249 . 1 . 1 27 27 ASN H H 1 8.016 0.020 . 1 . . . . A 27 ASN H . 34551 1 250 . 1 . 1 27 27 ASN HA H 1 4.371 0.020 . 1 . . . . A 27 ASN HA . 34551 1 251 . 1 . 1 27 27 ASN HB2 H 1 2.707 0.020 . 2 . . . . A 27 ASN HB2 . 34551 1 252 . 1 . 1 27 27 ASN HB3 H 1 2.979 0.020 . 2 . . . . A 27 ASN HB3 . 34551 1 253 . 1 . 1 27 27 ASN HD21 H 1 6.765 0.020 . 1 . . . . A 27 ASN HD21 . 34551 1 254 . 1 . 1 27 27 ASN HD22 H 1 7.457 0.020 . 1 . . . . A 27 ASN HD22 . 34551 1 255 . 1 . 1 27 27 ASN CA C 13 56.311 0.3 . 1 . . . . A 27 ASN CA . 34551 1 256 . 1 . 1 27 27 ASN CB C 13 38.812 0.3 . 1 . . . . A 27 ASN CB . 34551 1 257 . 1 . 1 27 27 ASN N N 15 122.218 0.3 . 1 . . . . A 27 ASN N . 34551 1 258 . 1 . 1 27 27 ASN ND2 N 15 113.838 0.3 . 1 . . . . A 27 ASN ND2 . 34551 1 259 . 1 . 1 28 28 ILE H H 1 7.937 0.020 . 1 . . . . A 28 ILE H . 34551 1 260 . 1 . 1 28 28 ILE HA H 1 3.220 0.020 . 1 . . . . A 28 ILE HA . 34551 1 261 . 1 . 1 28 28 ILE HB H 1 1.632 0.020 . 1 . . . . A 28 ILE HB . 34551 1 262 . 1 . 1 28 28 ILE HG12 H 1 -0.135 0.020 . 2 . . . . A 28 ILE HG12 . 34551 1 263 . 1 . 1 28 28 ILE HG13 H 1 0.700 0.020 . 2 . . . . A 28 ILE HG13 . 34551 1 264 . 1 . 1 28 28 ILE HG21 H 1 0.170 0.020 . 1 . . . . A 28 ILE HG21 . 34551 1 265 . 1 . 1 28 28 ILE HG22 H 1 0.170 0.020 . 1 . . . . A 28 ILE HG22 . 34551 1 266 . 1 . 1 28 28 ILE HG23 H 1 0.170 0.020 . 1 . . . . A 28 ILE HG23 . 34551 1 267 . 1 . 1 28 28 ILE HD11 H 1 -0.928 0.020 . 1 . . . . A 28 ILE HD11 . 34551 1 268 . 1 . 1 28 28 ILE HD12 H 1 -0.928 0.020 . 1 . . . . A 28 ILE HD12 . 34551 1 269 . 1 . 1 28 28 ILE HD13 H 1 -0.928 0.020 . 1 . . . . A 28 ILE HD13 . 34551 1 270 . 1 . 1 28 28 ILE CA C 13 66.168 0.3 . 1 . . . . A 28 ILE CA . 34551 1 271 . 1 . 1 28 28 ILE CB C 13 37.969 0.3 . 1 . . . . A 28 ILE CB . 34551 1 272 . 1 . 1 28 28 ILE CG1 C 13 28.298 0.3 . 1 . . . . A 28 ILE CG1 . 34551 1 273 . 1 . 1 28 28 ILE CG2 C 13 17.351 0.3 . 1 . . . . A 28 ILE CG2 . 34551 1 274 . 1 . 1 28 28 ILE CD1 C 13 12.228 0.3 . 1 . . . . A 28 ILE CD1 . 34551 1 275 . 1 . 1 28 28 ILE N N 15 123.583 0.3 . 1 . . . . A 28 ILE N . 34551 1 276 . 1 . 1 29 29 VAL H H 1 8.712 0.020 . 1 . . . . A 29 VAL H . 34551 1 277 . 1 . 1 29 29 VAL HA H 1 3.465 0.020 . 1 . . . . A 29 VAL HA . 34551 1 278 . 1 . 1 29 29 VAL HB H 1 2.101 0.020 . 1 . . . . A 29 VAL HB . 34551 1 279 . 1 . 1 29 29 VAL HG11 H 1 0.888 0.020 . 2 . . . . A 29 VAL HG11 . 34551 1 280 . 1 . 1 29 29 VAL HG12 H 1 0.888 0.020 . 2 . . . . A 29 VAL HG12 . 34551 1 281 . 1 . 1 29 29 VAL HG13 H 1 0.888 0.020 . 2 . . . . A 29 VAL HG13 . 34551 1 282 . 1 . 1 29 29 VAL HG21 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG21 . 34551 1 283 . 1 . 1 29 29 VAL HG22 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG22 . 34551 1 284 . 1 . 1 29 29 VAL HG23 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG23 . 34551 1 285 . 1 . 1 29 29 VAL CA C 13 67.707 0.3 . 1 . . . . A 29 VAL CA . 34551 1 286 . 1 . 1 29 29 VAL CB C 13 32.359 0.3 . 1 . . . . A 29 VAL CB . 34551 1 287 . 1 . 1 29 29 VAL CG1 C 13 23.756 0.3 . 1 . . . . A 29 VAL CG1 . 34551 1 288 . 1 . 1 29 29 VAL CG2 C 13 21.457 0.3 . 1 . . . . A 29 VAL CG2 . 34551 1 289 . 1 . 1 29 29 VAL N N 15 127.074 0.3 . 1 . . . . A 29 VAL N . 34551 1 290 . 1 . 1 30 30 SER H H 1 8.373 0.020 . 1 . . . . A 30 SER H . 34551 1 291 . 1 . 1 30 30 SER HA H 1 4.127 0.020 . 1 . . . . A 30 SER HA . 34551 1 292 . 1 . 1 30 30 SER HB2 H 1 3.862 0.020 . 2 . . . . A 30 SER HB2 . 34551 1 293 . 1 . 1 30 30 SER HB3 H 1 3.918 0.020 . 2 . . . . A 30 SER HB3 . 34551 1 294 . 1 . 1 30 30 SER CA C 13 61.558 0.3 . 1 . . . . A 30 SER CA . 34551 1 295 . 1 . 1 30 30 SER CB C 13 63.675 0.3 . 1 . . . . A 30 SER CB . 34551 1 296 . 1 . 1 30 30 SER N N 15 116.473 0.3 . 1 . . . . A 30 SER N . 34551 1 297 . 1 . 1 31 31 SER H H 1 7.470 0.020 . 1 . . . . A 31 SER H . 34551 1 298 . 1 . 1 31 31 SER HA H 1 4.165 0.020 . 1 . . . . A 31 SER HA . 34551 1 299 . 1 . 1 31 31 SER HB2 H 1 4.014 0.020 . 2 . . . . A 31 SER HB2 . 34551 1 300 . 1 . 1 31 31 SER HB3 H 1 3.967 0.020 . 2 . . . . A 31 SER HB3 . 34551 1 301 . 1 . 1 31 31 SER CA C 13 61.726 0.3 . 1 . . . . A 31 SER CA . 34551 1 302 . 1 . 1 31 31 SER CB C 13 65.191 0.3 . 1 . . . . A 31 SER CB . 34551 1 303 . 1 . 1 31 31 SER N N 15 116.734 0.3 . 1 . . . . A 31 SER N . 34551 1 304 . 1 . 1 32 32 GLY H H 1 7.434 0.020 . 1 . . . . A 32 GLY H . 34551 1 305 . 1 . 1 32 32 GLY HA2 H 1 4.092 0.020 . 2 . . . . A 32 GLY HA2 . 34551 1 306 . 1 . 1 32 32 GLY HA3 H 1 3.876 0.020 . 2 . . . . A 32 GLY HA3 . 34551 1 307 . 1 . 1 32 32 GLY CA C 13 47.082 0.3 . 1 . . . . A 32 GLY CA . 34551 1 308 . 1 . 1 32 32 GLY N N 15 110.710 0.3 . 1 . . . . A 32 GLY N . 34551 1 309 . 1 . 1 33 33 GLU H H 1 7.862 0.020 . 1 . . . . A 33 GLU H . 34551 1 310 . 1 . 1 33 33 GLU HA H 1 3.926 0.020 . 1 . . . . A 33 GLU HA . 34551 1 311 . 1 . 1 33 33 GLU HB2 H 1 1.666 0.020 . 2 . . . . A 33 GLU HB2 . 34551 1 312 . 1 . 1 33 33 GLU HB3 H 1 1.496 0.020 . 2 . . . . A 33 GLU HB3 . 34551 1 313 . 1 . 1 33 33 GLU HG2 H 1 1.705 0.020 . 1 . . . . A 33 GLU HG2 . 34551 1 314 . 1 . 1 33 33 GLU HG3 H 1 1.705 0.020 . 1 . . . . A 33 GLU HG3 . 34551 1 315 . 1 . 1 33 33 GLU CA C 13 57.729 0.3 . 1 . . . . A 33 GLU CA . 34551 1 316 . 1 . 1 33 33 GLU CB C 13 31.794 0.3 . 1 . . . . A 33 GLU CB . 34551 1 317 . 1 . 1 33 33 GLU CG C 13 33.071 0.3 . 1 . . . . A 33 GLU CG . 34551 1 318 . 1 . 1 33 33 GLU N N 15 120.962 0.3 . 1 . . . . A 33 GLU N . 34551 1 319 . 1 . 1 34 34 PHE H H 1 8.518 0.020 . 1 . . . . A 34 PHE H . 34551 1 320 . 1 . 1 34 34 PHE HA H 1 4.559 0.020 . 1 . . . . A 34 PHE HA . 34551 1 321 . 1 . 1 34 34 PHE HB2 H 1 3.081 0.020 . 2 . . . . A 34 PHE HB2 . 34551 1 322 . 1 . 1 34 34 PHE HB3 H 1 2.644 0.020 . 2 . . . . A 34 PHE HB3 . 34551 1 323 . 1 . 1 34 34 PHE HD1 H 1 7.135 0.020 . 1 . . . . A 34 PHE HD1 . 34551 1 324 . 1 . 1 34 34 PHE HD2 H 1 7.135 0.020 . 1 . . . . A 34 PHE HD2 . 34551 1 325 . 1 . 1 34 34 PHE HE1 H 1 7.044 0.020 . 1 . . . . A 34 PHE HE1 . 34551 1 326 . 1 . 1 34 34 PHE HE2 H 1 7.044 0.020 . 1 . . . . A 34 PHE HE2 . 34551 1 327 . 1 . 1 34 34 PHE HZ H 1 6.512 0.020 . 1 . . . . A 34 PHE HZ . 34551 1 328 . 1 . 1 34 34 PHE CA C 13 58.015 0.3 . 1 . . . . A 34 PHE CA . 34551 1 329 . 1 . 1 34 34 PHE CB C 13 41.433 0.3 . 1 . . . . A 34 PHE CB . 34551 1 330 . 1 . 1 34 34 PHE CD1 C 13 132.792 0.3 . 1 . . . . A 34 PHE CD1 . 34551 1 331 . 1 . 1 34 34 PHE CE1 C 13 130.615 0.3 . 1 . . . . A 34 PHE CE1 . 34551 1 332 . 1 . 1 34 34 PHE CZ C 13 129.431 0.3 . 1 . . . . A 34 PHE CZ . 34551 1 333 . 1 . 1 34 34 PHE N N 15 115.748 0.3 . 1 . . . . A 34 PHE N . 34551 1 334 . 1 . 1 35 35 GLY H H 1 7.876 0.020 . 1 . . . . A 35 GLY H . 34551 1 335 . 1 . 1 35 35 GLY HA2 H 1 4.076 0.020 . 2 . . . . A 35 GLY HA2 . 34551 1 336 . 1 . 1 35 35 GLY HA3 H 1 4.047 0.020 . 2 . . . . A 35 GLY HA3 . 34551 1 337 . 1 . 1 35 35 GLY CA C 13 45.004 0.3 . 1 . . . . A 35 GLY CA . 34551 1 338 . 1 . 1 35 35 GLY N N 15 108.990 0.3 . 1 . . . . A 35 GLY N . 34551 1 339 . 1 . 1 36 36 ALA H H 1 8.546 0.020 . 1 . . . . A 36 ALA H . 34551 1 340 . 1 . 1 36 36 ALA HA H 1 4.045 0.020 . 1 . . . . A 36 ALA HA . 34551 1 341 . 1 . 1 36 36 ALA HB1 H 1 1.381 0.020 . 1 . . . . A 36 ALA HB1 . 34551 1 342 . 1 . 1 36 36 ALA HB2 H 1 1.381 0.020 . 1 . . . . A 36 ALA HB2 . 34551 1 343 . 1 . 1 36 36 ALA HB3 H 1 1.381 0.020 . 1 . . . . A 36 ALA HB3 . 34551 1 344 . 1 . 1 36 36 ALA CA C 13 56.146 0.3 . 1 . . . . A 36 ALA CA . 34551 1 345 . 1 . 1 36 36 ALA CB C 13 18.945 0.3 . 1 . . . . A 36 ALA CB . 34551 1 346 . 1 . 1 36 36 ALA N N 15 124.548 0.3 . 1 . . . . A 36 ALA N . 34551 1 347 . 1 . 1 37 37 GLN H H 1 8.695 0.020 . 1 . . . . A 37 GLN H . 34551 1 348 . 1 . 1 37 37 GLN HA H 1 4.019 0.020 . 1 . . . . A 37 GLN HA . 34551 1 349 . 1 . 1 37 37 GLN HB2 H 1 2.078 0.020 . 2 . . . . A 37 GLN HB2 . 34551 1 350 . 1 . 1 37 37 GLN HB3 H 1 2.005 0.020 . 2 . . . . A 37 GLN HB3 . 34551 1 351 . 1 . 1 37 37 GLN HG2 H 1 2.315 0.020 . 1 . . . . A 37 GLN HG2 . 34551 1 352 . 1 . 1 37 37 GLN HG3 H 1 2.315 0.020 . 1 . . . . A 37 GLN HG3 . 34551 1 353 . 1 . 1 37 37 GLN HE21 H 1 7.406 0.020 . 1 . . . . A 37 GLN HE21 . 34551 1 354 . 1 . 1 37 37 GLN HE22 H 1 6.663 0.020 . 1 . . . . A 37 GLN HE22 . 34551 1 355 . 1 . 1 37 37 GLN CA C 13 58.528 0.3 . 1 . . . . A 37 GLN CA . 34551 1 356 . 1 . 1 37 37 GLN CB C 13 29.153 0.3 . 1 . . . . A 37 GLN CB . 34551 1 357 . 1 . 1 37 37 GLN CG C 13 34.921 0.3 . 1 . . . . A 37 GLN CG . 34551 1 358 . 1 . 1 37 37 GLN N N 15 118.723 0.3 . 1 . . . . A 37 GLN N . 34551 1 359 . 1 . 1 37 37 GLN NE2 N 15 113.233 0.3 . 1 . . . . A 37 GLN NE2 . 34551 1 360 . 1 . 1 38 38 GLY H H 1 7.766 0.020 . 1 . . . . A 38 GLY H . 34551 1 361 . 1 . 1 38 38 GLY HA2 H 1 3.811 0.020 . 2 . . . . A 38 GLY HA2 . 34551 1 362 . 1 . 1 38 38 GLY HA3 H 1 3.775 0.020 . 2 . . . . A 38 GLY HA3 . 34551 1 363 . 1 . 1 38 38 GLY CA C 13 47.718 0.3 . 1 . . . . A 38 GLY CA . 34551 1 364 . 1 . 1 38 38 GLY N N 15 108.562 0.3 . 1 . . . . A 38 GLY N . 34551 1 365 . 1 . 1 39 39 ALA H H 1 7.904 0.020 . 1 . . . . A 39 ALA H . 34551 1 366 . 1 . 1 39 39 ALA HA H 1 3.881 0.020 . 1 . . . . A 39 ALA HA . 34551 1 367 . 1 . 1 39 39 ALA HB1 H 1 1.297 0.020 . 1 . . . . A 39 ALA HB1 . 34551 1 368 . 1 . 1 39 39 ALA HB2 H 1 1.297 0.020 . 1 . . . . A 39 ALA HB2 . 34551 1 369 . 1 . 1 39 39 ALA HB3 H 1 1.297 0.020 . 1 . . . . A 39 ALA HB3 . 34551 1 370 . 1 . 1 39 39 ALA CA C 13 56.636 0.3 . 1 . . . . A 39 ALA CA . 34551 1 371 . 1 . 1 39 39 ALA CB C 13 19.218 0.3 . 1 . . . . A 39 ALA CB . 34551 1 372 . 1 . 1 39 39 ALA N N 15 123.125 0.3 . 1 . . . . A 39 ALA N . 34551 1 373 . 1 . 1 40 40 GLU H H 1 7.645 0.020 . 1 . . . . A 40 GLU H . 34551 1 374 . 1 . 1 40 40 GLU HA H 1 3.923 0.020 . 1 . . . . A 40 GLU HA . 34551 1 375 . 1 . 1 40 40 GLU HB2 H 1 2.096 0.020 . 2 . . . . A 40 GLU HB2 . 34551 1 376 . 1 . 1 40 40 GLU HB3 H 1 2.071 0.020 . 2 . . . . A 40 GLU HB3 . 34551 1 377 . 1 . 1 40 40 GLU HG2 H 1 2.437 0.020 . 2 . . . . A 40 GLU HG2 . 34551 1 378 . 1 . 1 40 40 GLU HG3 H 1 2.296 0.020 . 2 . . . . A 40 GLU HG3 . 34551 1 379 . 1 . 1 40 40 GLU CA C 13 59.837 0.3 . 1 . . . . A 40 GLU CA . 34551 1 380 . 1 . 1 40 40 GLU CB C 13 30.006 0.3 . 1 . . . . A 40 GLU CB . 34551 1 381 . 1 . 1 40 40 GLU CG C 13 36.776 0.3 . 1 . . . . A 40 GLU CG . 34551 1 382 . 1 . 1 40 40 GLU N N 15 119.387 0.3 . 1 . . . . A 40 GLU N . 34551 1 383 . 1 . 1 41 41 ASP H H 1 8.235 0.020 . 1 . . . . A 41 ASP H . 34551 1 384 . 1 . 1 41 41 ASP HA H 1 4.204 0.020 . 1 . . . . A 41 ASP HA . 34551 1 385 . 1 . 1 41 41 ASP HB2 H 1 2.015 0.020 . 2 . . . . A 41 ASP HB2 . 34551 1 386 . 1 . 1 41 41 ASP HB3 H 1 3.054 0.020 . 2 . . . . A 41 ASP HB3 . 34551 1 387 . 1 . 1 41 41 ASP CA C 13 58.317 0.3 . 1 . . . . A 41 ASP CA . 34551 1 388 . 1 . 1 41 41 ASP CB C 13 39.893 0.3 . 1 . . . . A 41 ASP CB . 34551 1 389 . 1 . 1 41 41 ASP N N 15 121.166 0.3 . 1 . . . . A 41 ASP N . 34551 1 390 . 1 . 1 42 42 PHE H H 1 7.569 0.020 . 1 . . . . A 42 PHE H . 34551 1 391 . 1 . 1 42 42 PHE HA H 1 3.793 0.020 . 1 . . . . A 42 PHE HA . 34551 1 392 . 1 . 1 42 42 PHE HB2 H 1 2.460 0.020 . 2 . . . . A 42 PHE HB2 . 34551 1 393 . 1 . 1 42 42 PHE HB3 H 1 2.991 0.020 . 2 . . . . A 42 PHE HB3 . 34551 1 394 . 1 . 1 42 42 PHE HD1 H 1 7.060 0.020 . 1 . . . . A 42 PHE HD1 . 34551 1 395 . 1 . 1 42 42 PHE HD2 H 1 7.060 0.020 . 1 . . . . A 42 PHE HD2 . 34551 1 396 . 1 . 1 42 42 PHE HE1 H 1 7.083 0.020 . 1 . . . . A 42 PHE HE1 . 34551 1 397 . 1 . 1 42 42 PHE HE2 H 1 7.083 0.020 . 1 . . . . A 42 PHE HE2 . 34551 1 398 . 1 . 1 42 42 PHE HZ H 1 6.588 0.020 . 1 . . . . A 42 PHE HZ . 34551 1 399 . 1 . 1 42 42 PHE CA C 13 63.124 0.3 . 1 . . . . A 42 PHE CA . 34551 1 400 . 1 . 1 42 42 PHE CB C 13 40.427 0.3 . 1 . . . . A 42 PHE CB . 34551 1 401 . 1 . 1 42 42 PHE CD1 C 13 132.405 0.3 . 1 . . . . A 42 PHE CD1 . 34551 1 402 . 1 . 1 42 42 PHE CE1 C 13 128.501 0.3 . 1 . . . . A 42 PHE CE1 . 34551 1 403 . 1 . 1 42 42 PHE CZ C 13 130.577 0.3 . 1 . . . . A 42 PHE CZ . 34551 1 404 . 1 . 1 42 42 PHE N N 15 116.466 0.3 . 1 . . . . A 42 PHE N . 34551 1 405 . 1 . 1 43 43 ASP H H 1 7.885 0.020 . 1 . . . . A 43 ASP H . 34551 1 406 . 1 . 1 43 43 ASP HA H 1 4.221 0.020 . 1 . . . . A 43 ASP HA . 34551 1 407 . 1 . 1 43 43 ASP HB2 H 1 2.885 0.020 . 2 . . . . A 43 ASP HB2 . 34551 1 408 . 1 . 1 43 43 ASP HB3 H 1 2.605 0.020 . 2 . . . . A 43 ASP HB3 . 34551 1 409 . 1 . 1 43 43 ASP CA C 13 58.230 0.3 . 1 . . . . A 43 ASP CA . 34551 1 410 . 1 . 1 43 43 ASP CB C 13 42.755 0.3 . 1 . . . . A 43 ASP CB . 34551 1 411 . 1 . 1 43 43 ASP N N 15 119.354 0.3 . 1 . . . . A 43 ASP N . 34551 1 412 . 1 . 1 44 44 ASP H H 1 8.892 0.020 . 1 . . . . A 44 ASP H . 34551 1 413 . 1 . 1 44 44 ASP HA H 1 4.215 0.020 . 1 . . . . A 44 ASP HA . 34551 1 414 . 1 . 1 44 44 ASP HB2 H 1 2.771 0.020 . 2 . . . . A 44 ASP HB2 . 34551 1 415 . 1 . 1 44 44 ASP HB3 H 1 2.732 0.020 . 2 . . . . A 44 ASP HB3 . 34551 1 416 . 1 . 1 44 44 ASP CA C 13 58.075 0.3 . 1 . . . . A 44 ASP CA . 34551 1 417 . 1 . 1 44 44 ASP CB C 13 41.515 0.3 . 1 . . . . A 44 ASP CB . 34551 1 418 . 1 . 1 44 44 ASP N N 15 118.449 0.3 . 1 . . . . A 44 ASP N . 34551 1 419 . 1 . 1 45 45 ILE H H 1 7.866 0.020 . 1 . . . . A 45 ILE H . 34551 1 420 . 1 . 1 45 45 ILE HA H 1 3.775 0.020 . 1 . . . . A 45 ILE HA . 34551 1 421 . 1 . 1 45 45 ILE HB H 1 2.085 0.020 . 1 . . . . A 45 ILE HB . 34551 1 422 . 1 . 1 45 45 ILE HG12 H 1 1.803 0.020 . 2 . . . . A 45 ILE HG12 . 34551 1 423 . 1 . 1 45 45 ILE HG13 H 1 1.080 0.020 . 2 . . . . A 45 ILE HG13 . 34551 1 424 . 1 . 1 45 45 ILE HG21 H 1 0.701 0.020 . 1 . . . . A 45 ILE HG21 . 34551 1 425 . 1 . 1 45 45 ILE HG22 H 1 0.701 0.020 . 1 . . . . A 45 ILE HG22 . 34551 1 426 . 1 . 1 45 45 ILE HG23 H 1 0.701 0.020 . 1 . . . . A 45 ILE HG23 . 34551 1 427 . 1 . 1 45 45 ILE HD11 H 1 0.955 0.020 . 1 . . . . A 45 ILE HD11 . 34551 1 428 . 1 . 1 45 45 ILE HD12 H 1 0.955 0.020 . 1 . . . . A 45 ILE HD12 . 34551 1 429 . 1 . 1 45 45 ILE HD13 H 1 0.955 0.020 . 1 . . . . A 45 ILE HD13 . 34551 1 430 . 1 . 1 45 45 ILE CA C 13 62.151 0.3 . 1 . . . . A 45 ILE CA . 34551 1 431 . 1 . 1 45 45 ILE CB C 13 35.917 0.3 . 1 . . . . A 45 ILE CB . 34551 1 432 . 1 . 1 45 45 ILE CG1 C 13 28.418 0.3 . 1 . . . . A 45 ILE CG1 . 34551 1 433 . 1 . 1 45 45 ILE CG2 C 13 17.750 0.3 . 1 . . . . A 45 ILE CG2 . 34551 1 434 . 1 . 1 45 45 ILE CD1 C 13 14.295 0.3 . 1 . . . . A 45 ILE CD1 . 34551 1 435 . 1 . 1 45 45 ILE N N 15 120.210 0.3 . 1 . . . . A 45 ILE N . 34551 1 436 . 1 . 1 46 46 ILE H H 1 8.636 0.020 . 1 . . . . A 46 ILE H . 34551 1 437 . 1 . 1 46 46 ILE HA H 1 3.587 0.020 . 1 . . . . A 46 ILE HA . 34551 1 438 . 1 . 1 46 46 ILE HB H 1 2.065 0.020 . 1 . . . . A 46 ILE HB . 34551 1 439 . 1 . 1 46 46 ILE HG12 H 1 1.326 0.020 . 2 . . . . A 46 ILE HG12 . 34551 1 440 . 1 . 1 46 46 ILE HG13 H 1 1.819 0.020 . 2 . . . . A 46 ILE HG13 . 34551 1 441 . 1 . 1 46 46 ILE HG21 H 1 0.964 0.020 . 1 . . . . A 46 ILE HG21 . 34551 1 442 . 1 . 1 46 46 ILE HG22 H 1 0.964 0.020 . 1 . . . . A 46 ILE HG22 . 34551 1 443 . 1 . 1 46 46 ILE HG23 H 1 0.964 0.020 . 1 . . . . A 46 ILE HG23 . 34551 1 444 . 1 . 1 46 46 ILE HD11 H 1 0.695 0.020 . 1 . . . . A 46 ILE HD11 . 34551 1 445 . 1 . 1 46 46 ILE HD12 H 1 0.695 0.020 . 1 . . . . A 46 ILE HD12 . 34551 1 446 . 1 . 1 46 46 ILE HD13 H 1 0.695 0.020 . 1 . . . . A 46 ILE HD13 . 34551 1 447 . 1 . 1 46 46 ILE CA C 13 66.450 0.3 . 1 . . . . A 46 ILE CA . 34551 1 448 . 1 . 1 46 46 ILE CB C 13 37.406 0.3 . 1 . . . . A 46 ILE CB . 34551 1 449 . 1 . 1 46 46 ILE CG1 C 13 30.015 0.3 . 1 . . . . A 46 ILE CG1 . 34551 1 450 . 1 . 1 46 46 ILE CG2 C 13 18.689 0.3 . 1 . . . . A 46 ILE CG2 . 34551 1 451 . 1 . 1 46 46 ILE CD1 C 13 10.057 0.3 . 1 . . . . A 46 ILE CD1 . 34551 1 452 . 1 . 1 46 46 ILE N N 15 121.409 0.3 . 1 . . . . A 46 ILE N . 34551 1 453 . 1 . 1 47 47 GLN H H 1 8.736 0.020 . 1 . . . . A 47 GLN H . 34551 1 454 . 1 . 1 47 47 GLN HA H 1 3.944 0.020 . 1 . . . . A 47 GLN HA . 34551 1 455 . 1 . 1 47 47 GLN HB2 H 1 2.031 0.020 . 2 . . . . A 47 GLN HB2 . 34551 1 456 . 1 . 1 47 47 GLN HB3 H 1 2.056 0.020 . 2 . . . . A 47 GLN HB3 . 34551 1 457 . 1 . 1 47 47 GLN HG2 H 1 2.472 0.020 . 2 . . . . A 47 GLN HG2 . 34551 1 458 . 1 . 1 47 47 GLN HG3 H 1 2.563 0.020 . 2 . . . . A 47 GLN HG3 . 34551 1 459 . 1 . 1 47 47 GLN HE21 H 1 7.893 0.020 . 1 . . . . A 47 GLN HE21 . 34551 1 460 . 1 . 1 47 47 GLN HE22 H 1 6.907 0.020 . 1 . . . . A 47 GLN HE22 . 34551 1 461 . 1 . 1 47 47 GLN CA C 13 59.896 0.3 . 1 . . . . A 47 GLN CA . 34551 1 462 . 1 . 1 47 47 GLN CB C 13 28.394 0.3 . 1 . . . . A 47 GLN CB . 34551 1 463 . 1 . 1 47 47 GLN CG C 13 34.129 0.3 . 1 . . . . A 47 GLN CG . 34551 1 464 . 1 . 1 47 47 GLN N N 15 117.853 0.3 . 1 . . . . A 47 GLN N . 34551 1 465 . 1 . 1 47 47 GLN NE2 N 15 114.311 0.3 . 1 . . . . A 47 GLN NE2 . 34551 1 466 . 1 . 1 48 48 SER H H 1 7.681 0.020 . 1 . . . . A 48 SER H . 34551 1 467 . 1 . 1 48 48 SER HA H 1 4.172 0.020 . 1 . . . . A 48 SER HA . 34551 1 468 . 1 . 1 48 48 SER HB2 H 1 3.996 0.020 . 2 . . . . A 48 SER HB2 . 34551 1 469 . 1 . 1 48 48 SER HB3 H 1 3.805 0.020 . 2 . . . . A 48 SER HB3 . 34551 1 470 . 1 . 1 48 48 SER CA C 13 63.071 0.3 . 1 . . . . A 48 SER CA . 34551 1 471 . 1 . 1 48 48 SER CB C 13 63.316 0.3 . 1 . . . . A 48 SER CB . 34551 1 472 . 1 . 1 48 48 SER N N 15 116.451 0.3 . 1 . . . . A 48 SER N . 34551 1 473 . 1 . 1 49 49 LEU H H 1 7.918 0.020 . 1 . . . . A 49 LEU H . 34551 1 474 . 1 . 1 49 49 LEU HA H 1 3.958 0.020 . 1 . . . . A 49 LEU HA . 34551 1 475 . 1 . 1 49 49 LEU HB2 H 1 1.264 0.020 . 2 . . . . A 49 LEU HB2 . 34551 1 476 . 1 . 1 49 49 LEU HB3 H 1 1.940 0.020 . 2 . . . . A 49 LEU HB3 . 34551 1 477 . 1 . 1 49 49 LEU HG H 1 1.758 0.020 . 1 . . . . A 49 LEU HG . 34551 1 478 . 1 . 1 49 49 LEU HD11 H 1 0.560 0.020 . 2 . . . . A 49 LEU HD11 . 34551 1 479 . 1 . 1 49 49 LEU HD12 H 1 0.560 0.020 . 2 . . . . A 49 LEU HD12 . 34551 1 480 . 1 . 1 49 49 LEU HD13 H 1 0.560 0.020 . 2 . . . . A 49 LEU HD13 . 34551 1 481 . 1 . 1 49 49 LEU HD21 H 1 0.728 0.020 . 2 . . . . A 49 LEU HD21 . 34551 1 482 . 1 . 1 49 49 LEU HD22 H 1 0.728 0.020 . 2 . . . . A 49 LEU HD22 . 34551 1 483 . 1 . 1 49 49 LEU HD23 H 1 0.728 0.020 . 2 . . . . A 49 LEU HD23 . 34551 1 484 . 1 . 1 49 49 LEU CA C 13 58.584 0.3 . 1 . . . . A 49 LEU CA . 34551 1 485 . 1 . 1 49 49 LEU CB C 13 42.361 0.3 . 1 . . . . A 49 LEU CB . 34551 1 486 . 1 . 1 49 49 LEU CG C 13 27.832 0.3 . 1 . . . . A 49 LEU CG . 34551 1 487 . 1 . 1 49 49 LEU CD1 C 13 23.563 0.3 . 1 . . . . A 49 LEU CD1 . 34551 1 488 . 1 . 1 49 49 LEU CD2 C 13 27.082 0.3 . 1 . . . . A 49 LEU CD2 . 34551 1 489 . 1 . 1 49 49 LEU N N 15 124.621 0.3 . 1 . . . . A 49 LEU N . 34551 1 490 . 1 . 1 50 50 ILE H H 1 8.253 0.020 . 1 . . . . A 50 ILE H . 34551 1 491 . 1 . 1 50 50 ILE HA H 1 3.587 0.020 . 1 . . . . A 50 ILE HA . 34551 1 492 . 1 . 1 50 50 ILE HB H 1 1.940 0.020 . 1 . . . . A 50 ILE HB . 34551 1 493 . 1 . 1 50 50 ILE HG12 H 1 0.994 0.020 . 2 . . . . A 50 ILE HG12 . 34551 1 494 . 1 . 1 50 50 ILE HG13 H 1 1.639 0.020 . 2 . . . . A 50 ILE HG13 . 34551 1 495 . 1 . 1 50 50 ILE HG21 H 1 0.796 0.020 . 1 . . . . A 50 ILE HG21 . 34551 1 496 . 1 . 1 50 50 ILE HG22 H 1 0.796 0.020 . 1 . . . . A 50 ILE HG22 . 34551 1 497 . 1 . 1 50 50 ILE HG23 H 1 0.796 0.020 . 1 . . . . A 50 ILE HG23 . 34551 1 498 . 1 . 1 50 50 ILE HD11 H 1 0.666 0.020 . 1 . . . . A 50 ILE HD11 . 34551 1 499 . 1 . 1 50 50 ILE HD12 H 1 0.666 0.020 . 1 . . . . A 50 ILE HD12 . 34551 1 500 . 1 . 1 50 50 ILE HD13 H 1 0.666 0.020 . 1 . . . . A 50 ILE HD13 . 34551 1 501 . 1 . 1 50 50 ILE CA C 13 65.678 0.3 . 1 . . . . A 50 ILE CA . 34551 1 502 . 1 . 1 50 50 ILE CB C 13 37.974 0.3 . 1 . . . . A 50 ILE CB . 34551 1 503 . 1 . 1 50 50 ILE CG1 C 13 29.762 0.3 . 1 . . . . A 50 ILE CG1 . 34551 1 504 . 1 . 1 50 50 ILE CG2 C 13 17.821 0.3 . 1 . . . . A 50 ILE CG2 . 34551 1 505 . 1 . 1 50 50 ILE CD1 C 13 13.973 0.3 . 1 . . . . A 50 ILE CD1 . 34551 1 506 . 1 . 1 50 50 ILE N N 15 121.911 0.3 . 1 . . . . A 50 ILE N . 34551 1 507 . 1 . 1 51 51 GLN H H 1 8.058 0.020 . 1 . . . . A 51 GLN H . 34551 1 508 . 1 . 1 51 51 GLN HA H 1 4.023 0.020 . 1 . . . . A 51 GLN HA . 34551 1 509 . 1 . 1 51 51 GLN HB2 H 1 2.101 0.020 . 2 . . . . A 51 GLN HB2 . 34551 1 510 . 1 . 1 51 51 GLN HB3 H 1 2.006 0.020 . 2 . . . . A 51 GLN HB3 . 34551 1 511 . 1 . 1 51 51 GLN HG2 H 1 2.386 0.020 . 2 . . . . A 51 GLN HG2 . 34551 1 512 . 1 . 1 51 51 GLN HG3 H 1 2.432 0.020 . 2 . . . . A 51 GLN HG3 . 34551 1 513 . 1 . 1 51 51 GLN HE21 H 1 6.702 0.020 . 1 . . . . A 51 GLN HE21 . 34551 1 514 . 1 . 1 51 51 GLN HE22 H 1 7.250 0.020 . 1 . . . . A 51 GLN HE22 . 34551 1 515 . 1 . 1 51 51 GLN CA C 13 59.482 0.3 . 1 . . . . A 51 GLN CA . 34551 1 516 . 1 . 1 51 51 GLN CB C 13 28.874 0.3 . 1 . . . . A 51 GLN CB . 34551 1 517 . 1 . 1 51 51 GLN CG C 13 34.663 0.3 . 1 . . . . A 51 GLN CG . 34551 1 518 . 1 . 1 51 51 GLN N N 15 121.880 0.3 . 1 . . . . A 51 GLN N . 34551 1 519 . 1 . 1 51 51 GLN NE2 N 15 112.959 0.3 . 1 . . . . A 51 GLN NE2 . 34551 1 520 . 1 . 1 52 52 ALA H H 1 8.186 0.020 . 1 . . . . A 52 ALA H . 34551 1 521 . 1 . 1 52 52 ALA HA H 1 4.056 0.020 . 1 . . . . A 52 ALA HA . 34551 1 522 . 1 . 1 52 52 ALA HB1 H 1 1.376 0.020 . 1 . . . . A 52 ALA HB1 . 34551 1 523 . 1 . 1 52 52 ALA HB2 H 1 1.376 0.020 . 1 . . . . A 52 ALA HB2 . 34551 1 524 . 1 . 1 52 52 ALA HB3 H 1 1.376 0.020 . 1 . . . . A 52 ALA HB3 . 34551 1 525 . 1 . 1 52 52 ALA CA C 13 55.423 0.3 . 1 . . . . A 52 ALA CA . 34551 1 526 . 1 . 1 52 52 ALA CB C 13 18.969 0.3 . 1 . . . . A 52 ALA CB . 34551 1 527 . 1 . 1 52 52 ALA N N 15 123.097 0.3 . 1 . . . . A 52 ALA N . 34551 1 528 . 1 . 1 53 53 GLN H H 1 7.972 0.020 . 1 . . . . A 53 GLN H . 34551 1 529 . 1 . 1 53 53 GLN HA H 1 3.973 0.020 . 1 . . . . A 53 GLN HA . 34551 1 530 . 1 . 1 53 53 GLN HB2 H 1 2.081 0.020 . 2 . . . . A 53 GLN HB2 . 34551 1 531 . 1 . 1 53 53 GLN HB3 H 1 2.008 0.020 . 2 . . . . A 53 GLN HB3 . 34551 1 532 . 1 . 1 53 53 GLN HG2 H 1 2.295 0.020 . 1 . . . . A 53 GLN HG2 . 34551 1 533 . 1 . 1 53 53 GLN HG3 H 1 2.295 0.020 . 1 . . . . A 53 GLN HG3 . 34551 1 534 . 1 . 1 53 53 GLN HE21 H 1 7.327 0.020 . 1 . . . . A 53 GLN HE21 . 34551 1 535 . 1 . 1 53 53 GLN HE22 H 1 6.732 0.020 . 1 . . . . A 53 GLN HE22 . 34551 1 536 . 1 . 1 53 53 GLN CA C 13 59.263 0.3 . 1 . . . . A 53 GLN CA . 34551 1 537 . 1 . 1 53 53 GLN CB C 13 28.640 0.3 . 1 . . . . A 53 GLN CB . 34551 1 538 . 1 . 1 53 53 GLN CG C 13 34.548 0.3 . 1 . . . . A 53 GLN CG . 34551 1 539 . 1 . 1 53 53 GLN N N 15 118.774 0.3 . 1 . . . . A 53 GLN N . 34551 1 540 . 1 . 1 53 53 GLN NE2 N 15 113.909 0.3 . 1 . . . . A 53 GLN NE2 . 34551 1 541 . 1 . 1 54 54 SER H H 1 7.607 0.020 . 1 . . . . A 54 SER H . 34551 1 542 . 1 . 1 54 54 SER HA H 1 4.194 0.020 . 1 . . . . A 54 SER HA . 34551 1 543 . 1 . 1 54 54 SER HB2 H 1 3.944 0.020 . 2 . . . . A 54 SER HB2 . 34551 1 544 . 1 . 1 54 54 SER HB3 H 1 3.895 0.020 . 2 . . . . A 54 SER HB3 . 34551 1 545 . 1 . 1 54 54 SER CA C 13 61.335 0.3 . 1 . . . . A 54 SER CA . 34551 1 546 . 1 . 1 54 54 SER CB C 13 63.843 0.3 . 1 . . . . A 54 SER CB . 34551 1 547 . 1 . 1 54 54 SER N N 15 115.074 0.3 . 1 . . . . A 54 SER N . 34551 1 548 . 1 . 1 55 55 MET H H 1 7.830 0.020 . 1 . . . . A 55 MET H . 34551 1 549 . 1 . 1 55 55 MET HA H 1 4.220 0.020 . 1 . . . . A 55 MET HA . 34551 1 550 . 1 . 1 55 55 MET HB2 H 1 2.009 0.020 . 2 . . . . A 55 MET HB2 . 34551 1 551 . 1 . 1 55 55 MET HB3 H 1 2.060 0.020 . 2 . . . . A 55 MET HB3 . 34551 1 552 . 1 . 1 55 55 MET HG2 H 1 2.464 0.020 . 2 . . . . A 55 MET HG2 . 34551 1 553 . 1 . 1 55 55 MET HG3 H 1 2.605 0.020 . 2 . . . . A 55 MET HG3 . 34551 1 554 . 1 . 1 55 55 MET HE1 H 1 1.955 0.020 . 1 . . . . A 55 MET HE1 . 34551 1 555 . 1 . 1 55 55 MET HE2 H 1 1.955 0.020 . 1 . . . . A 55 MET HE2 . 34551 1 556 . 1 . 1 55 55 MET HE3 H 1 1.955 0.020 . 1 . . . . A 55 MET HE3 . 34551 1 557 . 1 . 1 55 55 MET CA C 13 57.937 0.3 . 1 . . . . A 55 MET CA . 34551 1 558 . 1 . 1 55 55 MET CB C 13 33.775 0.3 . 1 . . . . A 55 MET CB . 34551 1 559 . 1 . 1 55 55 MET CG C 13 32.834 0.3 . 1 . . . . A 55 MET CG . 34551 1 560 . 1 . 1 55 55 MET CE C 13 17.691 0.3 . 1 . . . . A 55 MET CE . 34551 1 561 . 1 . 1 55 55 MET N N 15 122.195 0.3 . 1 . . . . A 55 MET N . 34551 1 562 . 1 . 1 56 56 GLY H H 1 8.148 0.020 . 1 . . . . A 56 GLY H . 34551 1 563 . 1 . 1 56 56 GLY HA2 H 1 3.885 0.020 . 2 . . . . A 56 GLY HA2 . 34551 1 564 . 1 . 1 56 56 GLY HA3 H 1 3.623 0.020 . 2 . . . . A 56 GLY HA3 . 34551 1 565 . 1 . 1 56 56 GLY CA C 13 46.379 0.3 . 1 . . . . A 56 GLY CA . 34551 1 566 . 1 . 1 56 56 GLY N N 15 109.099 0.3 . 1 . . . . A 56 GLY N . 34551 1 567 . 1 . 1 57 57 LYS H H 1 7.484 0.020 . 1 . . . . A 57 LYS H . 34551 1 568 . 1 . 1 57 57 LYS HA H 1 3.970 0.020 . 1 . . . . A 57 LYS HA . 34551 1 569 . 1 . 1 57 57 LYS HB2 H 1 1.720 0.020 . 1 . . . . A 57 LYS HB2 . 34551 1 570 . 1 . 1 57 57 LYS HB3 H 1 1.720 0.020 . 1 . . . . A 57 LYS HB3 . 34551 1 571 . 1 . 1 57 57 LYS HG2 H 1 1.336 0.020 . 2 . . . . A 57 LYS HG2 . 34551 1 572 . 1 . 1 57 57 LYS HG3 H 1 1.457 0.020 . 2 . . . . A 57 LYS HG3 . 34551 1 573 . 1 . 1 57 57 LYS HD2 H 1 1.589 0.020 . 1 . . . . A 57 LYS HD2 . 34551 1 574 . 1 . 1 57 57 LYS HD3 H 1 1.589 0.020 . 1 . . . . A 57 LYS HD3 . 34551 1 575 . 1 . 1 57 57 LYS HE2 H 1 2.889 0.020 . 1 . . . . A 57 LYS HE2 . 34551 1 576 . 1 . 1 57 57 LYS HE3 H 1 2.889 0.020 . 1 . . . . A 57 LYS HE3 . 34551 1 577 . 1 . 1 57 57 LYS CA C 13 58.686 0.3 . 1 . . . . A 57 LYS CA . 34551 1 578 . 1 . 1 57 57 LYS CB C 13 33.284 0.3 . 1 . . . . A 57 LYS CB . 34551 1 579 . 1 . 1 57 57 LYS CG C 13 25.443 0.3 . 1 . . . . A 57 LYS CG . 34551 1 580 . 1 . 1 57 57 LYS CD C 13 29.880 0.3 . 1 . . . . A 57 LYS CD . 34551 1 581 . 1 . 1 57 57 LYS CE C 13 42.800 0.3 . 1 . . . . A 57 LYS CE . 34551 1 582 . 1 . 1 57 57 LYS N N 15 121.527 0.3 . 1 . . . . A 57 LYS N . 34551 1 583 . 1 . 1 58 58 GLY H H 1 7.937 0.020 . 1 . . . . A 58 GLY H . 34551 1 584 . 1 . 1 58 58 GLY HA2 H 1 3.784 0.020 . 2 . . . . A 58 GLY HA2 . 34551 1 585 . 1 . 1 58 58 GLY HA3 H 1 3.654 0.020 . 2 . . . . A 58 GLY HA3 . 34551 1 586 . 1 . 1 58 58 GLY CA C 13 46.317 0.3 . 1 . . . . A 58 GLY CA . 34551 1 587 . 1 . 1 58 58 GLY N N 15 107.485 0.3 . 1 . . . . A 58 GLY N . 34551 1 588 . 1 . 1 59 59 ARG H H 1 8.405 0.020 . 1 . . . . A 59 ARG H . 34551 1 589 . 1 . 1 59 59 ARG HA H 1 4.094 0.020 . 1 . . . . A 59 ARG HA . 34551 1 590 . 1 . 1 59 59 ARG HB2 H 1 1.547 0.020 . 1 . . . . A 59 ARG HB2 . 34551 1 591 . 1 . 1 59 59 ARG HB3 H 1 1.547 0.020 . 1 . . . . A 59 ARG HB3 . 34551 1 592 . 1 . 1 59 59 ARG HG2 H 1 1.457 0.020 . 2 . . . . A 59 ARG HG2 . 34551 1 593 . 1 . 1 59 59 ARG HG3 H 1 1.423 0.020 . 2 . . . . A 59 ARG HG3 . 34551 1 594 . 1 . 1 59 59 ARG HD2 H 1 3.074 0.020 . 1 . . . . A 59 ARG HD2 . 34551 1 595 . 1 . 1 59 59 ARG HD3 H 1 3.074 0.020 . 1 . . . . A 59 ARG HD3 . 34551 1 596 . 1 . 1 59 59 ARG HE H 1 7.348 0.020 . 1 . . . . A 59 ARG HE . 34551 1 597 . 1 . 1 59 59 ARG CA C 13 57.442 0.3 . 1 . . . . A 59 ARG CA . 34551 1 598 . 1 . 1 59 59 ARG CB C 13 31.452 0.3 . 1 . . . . A 59 ARG CB . 34551 1 599 . 1 . 1 59 59 ARG CG C 13 27.902 0.3 . 1 . . . . A 59 ARG CG . 34551 1 600 . 1 . 1 59 59 ARG CD C 13 43.961 0.3 . 1 . . . . A 59 ARG CD . 34551 1 601 . 1 . 1 59 59 ARG N N 15 122.905 0.3 . 1 . . . . A 59 ARG N . 34551 1 602 . 1 . 1 59 59 ARG NE N 15 86.286 0.3 . 1 . . . . A 59 ARG NE . 34551 1 603 . 1 . 1 60 60 HIS H H 1 8.230 0.020 . 1 . . . . A 60 HIS H . 34551 1 604 . 1 . 1 60 60 HIS HA H 1 4.125 0.020 . 1 . . . . A 60 HIS HA . 34551 1 605 . 1 . 1 60 60 HIS HB2 H 1 3.081 0.020 . 2 . . . . A 60 HIS HB2 . 34551 1 606 . 1 . 1 60 60 HIS HB3 H 1 3.187 0.020 . 2 . . . . A 60 HIS HB3 . 34551 1 607 . 1 . 1 60 60 HIS HD2 H 1 7.229 0.020 . 1 . . . . A 60 HIS HD2 . 34551 1 608 . 1 . 1 60 60 HIS HE1 H 1 8.464 0.020 . 1 . . . . A 60 HIS HE1 . 34551 1 609 . 1 . 1 60 60 HIS CA C 13 54.246 0.3 . 1 . . . . A 60 HIS CA . 34551 1 610 . 1 . 1 60 60 HIS CB C 13 30.333 0.3 . 1 . . . . A 60 HIS CB . 34551 1 611 . 1 . 1 60 60 HIS CD2 C 13 120.283 0.3 . 1 . . . . A 60 HIS CD2 . 34551 1 612 . 1 . 1 60 60 HIS CE1 C 13 136.138 0.3 . 1 . . . . A 60 HIS CE1 . 34551 1 613 . 1 . 1 60 60 HIS N N 15 118.055 0.3 . 1 . . . . A 60 HIS N . 34551 1 614 . 1 . 1 61 61 ASP H H 1 8.786 0.020 . 1 . . . . A 61 ASP H . 34551 1 615 . 1 . 1 61 61 ASP HA H 1 4.637 0.020 . 1 . . . . A 61 ASP HA . 34551 1 616 . 1 . 1 61 61 ASP HB2 H 1 2.613 0.020 . 2 . . . . A 61 ASP HB2 . 34551 1 617 . 1 . 1 61 61 ASP HB3 H 1 2.470 0.020 . 2 . . . . A 61 ASP HB3 . 34551 1 618 . 1 . 1 61 61 ASP CA C 13 55.221 0.3 . 1 . . . . A 61 ASP CA . 34551 1 619 . 1 . 1 61 61 ASP CB C 13 41.483 0.3 . 1 . . . . A 61 ASP CB . 34551 1 620 . 1 . 1 61 61 ASP N N 15 127.236 0.3 . 1 . . . . A 61 ASP N . 34551 1 621 . 1 . 1 62 62 THR H H 1 7.521 0.020 . 1 . . . . A 62 THR H . 34551 1 622 . 1 . 1 62 62 THR HA H 1 4.554 0.020 . 1 . . . . A 62 THR HA . 34551 1 623 . 1 . 1 62 62 THR HB H 1 4.534 0.020 . 1 . . . . A 62 THR HB . 34551 1 624 . 1 . 1 62 62 THR HG21 H 1 1.177 0.020 . 1 . . . . A 62 THR HG21 . 34551 1 625 . 1 . 1 62 62 THR HG22 H 1 1.177 0.020 . 1 . . . . A 62 THR HG22 . 34551 1 626 . 1 . 1 62 62 THR HG23 H 1 1.177 0.020 . 1 . . . . A 62 THR HG23 . 34551 1 627 . 1 . 1 62 62 THR CA C 13 60.271 0.3 . 1 . . . . A 62 THR CA . 34551 1 628 . 1 . 1 62 62 THR CB C 13 73.253 0.3 . 1 . . . . A 62 THR CB . 34551 1 629 . 1 . 1 62 62 THR CG2 C 13 23.200 0.3 . 1 . . . . A 62 THR CG2 . 34551 1 630 . 1 . 1 62 62 THR N N 15 113.248 0.3 . 1 . . . . A 62 THR N . 34551 1 631 . 1 . 1 63 63 LYS H H 1 8.791 0.020 . 1 . . . . A 63 LYS H . 34551 1 632 . 1 . 1 63 63 LYS HA H 1 3.962 0.020 . 1 . . . . A 63 LYS HA . 34551 1 633 . 1 . 1 63 63 LYS HB2 H 1 1.804 0.020 . 2 . . . . A 63 LYS HB2 . 34551 1 634 . 1 . 1 63 63 LYS HB3 H 1 1.701 0.020 . 2 . . . . A 63 LYS HB3 . 34551 1 635 . 1 . 1 63 63 LYS HG2 H 1 1.515 0.020 . 2 . . . . A 63 LYS HG2 . 34551 1 636 . 1 . 1 63 63 LYS HG3 H 1 1.371 0.020 . 2 . . . . A 63 LYS HG3 . 34551 1 637 . 1 . 1 63 63 LYS HD2 H 1 1.641 0.020 . 2 . . . . A 63 LYS HD2 . 34551 1 638 . 1 . 1 63 63 LYS HD3 H 1 1.679 0.020 . 2 . . . . A 63 LYS HD3 . 34551 1 639 . 1 . 1 63 63 LYS HE2 H 1 2.925 0.020 . 1 . . . . A 63 LYS HE2 . 34551 1 640 . 1 . 1 63 63 LYS HE3 H 1 2.925 0.020 . 1 . . . . A 63 LYS HE3 . 34551 1 641 . 1 . 1 63 63 LYS CA C 13 59.981 0.3 . 1 . . . . A 63 LYS CA . 34551 1 642 . 1 . 1 63 63 LYS CB C 13 32.504 0.3 . 1 . . . . A 63 LYS CB . 34551 1 643 . 1 . 1 63 63 LYS CG C 13 25.657 0.3 . 1 . . . . A 63 LYS CG . 34551 1 644 . 1 . 1 63 63 LYS CD C 13 29.618 0.3 . 1 . . . . A 63 LYS CD . 34551 1 645 . 1 . 1 63 63 LYS CE C 13 42.595 0.3 . 1 . . . . A 63 LYS CE . 34551 1 646 . 1 . 1 63 63 LYS N N 15 125.269 0.3 . 1 . . . . A 63 LYS N . 34551 1 647 . 1 . 1 64 64 ALA H H 1 8.380 0.020 . 1 . . . . A 64 ALA H . 34551 1 648 . 1 . 1 64 64 ALA HA H 1 3.711 0.020 . 1 . . . . A 64 ALA HA . 34551 1 649 . 1 . 1 64 64 ALA HB1 H 1 1.109 0.020 . 1 . . . . A 64 ALA HB1 . 34551 1 650 . 1 . 1 64 64 ALA HB2 H 1 1.109 0.020 . 1 . . . . A 64 ALA HB2 . 34551 1 651 . 1 . 1 64 64 ALA HB3 H 1 1.109 0.020 . 1 . . . . A 64 ALA HB3 . 34551 1 652 . 1 . 1 64 64 ALA CA C 13 56.206 0.3 . 1 . . . . A 64 ALA CA . 34551 1 653 . 1 . 1 64 64 ALA CB C 13 19.175 0.3 . 1 . . . . A 64 ALA CB . 34551 1 654 . 1 . 1 64 64 ALA N N 15 121.683 0.3 . 1 . . . . A 64 ALA N . 34551 1 655 . 1 . 1 65 65 LYS H H 1 7.201 0.020 . 1 . . . . A 65 LYS H . 34551 1 656 . 1 . 1 65 65 LYS HA H 1 3.565 0.020 . 1 . . . . A 65 LYS HA . 34551 1 657 . 1 . 1 65 65 LYS HB2 H 1 1.901 0.020 . 2 . . . . A 65 LYS HB2 . 34551 1 658 . 1 . 1 65 65 LYS HB3 H 1 1.568 0.020 . 2 . . . . A 65 LYS HB3 . 34551 1 659 . 1 . 1 65 65 LYS HG2 H 1 1.447 0.020 . 1 . . . . A 65 LYS HG2 . 34551 1 660 . 1 . 1 65 65 LYS HG3 H 1 1.447 0.020 . 1 . . . . A 65 LYS HG3 . 34551 1 661 . 1 . 1 65 65 LYS HD2 H 1 1.843 0.020 . 1 . . . . A 65 LYS HD2 . 34551 1 662 . 1 . 1 65 65 LYS HD3 H 1 1.843 0.020 . 1 . . . . A 65 LYS HD3 . 34551 1 663 . 1 . 1 65 65 LYS HE2 H 1 3.188 0.020 . 1 . . . . A 65 LYS HE2 . 34551 1 664 . 1 . 1 65 65 LYS HE3 H 1 3.188 0.020 . 1 . . . . A 65 LYS HE3 . 34551 1 665 . 1 . 1 65 65 LYS CA C 13 61.765 0.3 . 1 . . . . A 65 LYS CA . 34551 1 666 . 1 . 1 65 65 LYS CB C 13 33.025 0.3 . 1 . . . . A 65 LYS CB . 34551 1 667 . 1 . 1 65 65 LYS CG C 13 27.291 0.3 . 1 . . . . A 65 LYS CG . 34551 1 668 . 1 . 1 65 65 LYS CD C 13 30.861 0.3 . 1 . . . . A 65 LYS CD . 34551 1 669 . 1 . 1 65 65 LYS CE C 13 42.248 0.3 . 1 . . . . A 65 LYS CE . 34551 1 670 . 1 . 1 65 65 LYS N N 15 116.586 0.3 . 1 . . . . A 65 LYS N . 34551 1 671 . 1 . 1 66 66 ALA H H 1 7.707 0.020 . 1 . . . . A 66 ALA H . 34551 1 672 . 1 . 1 66 66 ALA HA H 1 4.036 0.020 . 1 . . . . A 66 ALA HA . 34551 1 673 . 1 . 1 66 66 ALA HB1 H 1 1.425 0.020 . 1 . . . . A 66 ALA HB1 . 34551 1 674 . 1 . 1 66 66 ALA HB2 H 1 1.425 0.020 . 1 . . . . A 66 ALA HB2 . 34551 1 675 . 1 . 1 66 66 ALA HB3 H 1 1.425 0.020 . 1 . . . . A 66 ALA HB3 . 34551 1 676 . 1 . 1 66 66 ALA CA C 13 56.059 0.3 . 1 . . . . A 66 ALA CA . 34551 1 677 . 1 . 1 66 66 ALA CB C 13 18.533 0.3 . 1 . . . . A 66 ALA CB . 34551 1 678 . 1 . 1 66 66 ALA N N 15 123.281 0.3 . 1 . . . . A 66 ALA N . 34551 1 679 . 1 . 1 67 67 LYS H H 1 8.074 0.020 . 1 . . . . A 67 LYS H . 34551 1 680 . 1 . 1 67 67 LYS HA H 1 3.821 0.020 . 1 . . . . A 67 LYS HA . 34551 1 681 . 1 . 1 67 67 LYS HB2 H 1 1.782 0.020 . 1 . . . . A 67 LYS HB2 . 34551 1 682 . 1 . 1 67 67 LYS HB3 H 1 1.782 0.020 . 1 . . . . A 67 LYS HB3 . 34551 1 683 . 1 . 1 67 67 LYS HG2 H 1 1.154 0.020 . 2 . . . . A 67 LYS HG2 . 34551 1 684 . 1 . 1 67 67 LYS HG3 H 1 1.663 0.020 . 2 . . . . A 67 LYS HG3 . 34551 1 685 . 1 . 1 67 67 LYS HD3 H 1 1.456 0.020 . 1 . . . . A 67 LYS HD3 . 34551 1 686 . 1 . 1 67 67 LYS HE2 H 1 2.870 0.020 . 2 . . . . A 67 LYS HE2 . 34551 1 687 . 1 . 1 67 67 LYS HE3 H 1 2.765 0.020 . 2 . . . . A 67 LYS HE3 . 34551 1 688 . 1 . 1 67 67 LYS CA C 13 60.812 0.3 . 1 . . . . A 67 LYS CA . 34551 1 689 . 1 . 1 67 67 LYS CB C 13 33.221 0.3 . 1 . . . . A 67 LYS CB . 34551 1 690 . 1 . 1 67 67 LYS CG C 13 27.415 0.3 . 1 . . . . A 67 LYS CG . 34551 1 691 . 1 . 1 67 67 LYS CD C 13 30.983 0.3 . 1 . . . . A 67 LYS CD . 34551 1 692 . 1 . 1 67 67 LYS CE C 13 43.040 0.3 . 1 . . . . A 67 LYS CE . 34551 1 693 . 1 . 1 67 67 LYS N N 15 120.601 0.3 . 1 . . . . A 67 LYS N . 34551 1 694 . 1 . 1 68 68 ALA H H 1 8.178 0.020 . 1 . . . . A 68 ALA H . 34551 1 695 . 1 . 1 68 68 ALA HA H 1 3.625 0.020 . 1 . . . . A 68 ALA HA . 34551 1 696 . 1 . 1 68 68 ALA HB1 H 1 1.303 0.020 . 1 . . . . A 68 ALA HB1 . 34551 1 697 . 1 . 1 68 68 ALA HB2 H 1 1.303 0.020 . 1 . . . . A 68 ALA HB2 . 34551 1 698 . 1 . 1 68 68 ALA HB3 H 1 1.303 0.020 . 1 . . . . A 68 ALA HB3 . 34551 1 699 . 1 . 1 68 68 ALA CA C 13 56.409 0.3 . 1 . . . . A 68 ALA CA . 34551 1 700 . 1 . 1 68 68 ALA CB C 13 18.740 0.3 . 1 . . . . A 68 ALA CB . 34551 1 701 . 1 . 1 68 68 ALA N N 15 122.747 0.3 . 1 . . . . A 68 ALA N . 34551 1 702 . 1 . 1 69 69 MET H H 1 8.135 0.020 . 1 . . . . A 69 MET H . 34551 1 703 . 1 . 1 69 69 MET HA H 1 4.384 0.020 . 1 . . . . A 69 MET HA . 34551 1 704 . 1 . 1 69 69 MET HB2 H 1 2.023 0.020 . 2 . . . . A 69 MET HB2 . 34551 1 705 . 1 . 1 69 69 MET HB3 H 1 1.840 0.020 . 2 . . . . A 69 MET HB3 . 34551 1 706 . 1 . 1 69 69 MET HG2 H 1 2.574 0.020 . 2 . . . . A 69 MET HG2 . 34551 1 707 . 1 . 1 69 69 MET HG3 H 1 2.469 0.020 . 2 . . . . A 69 MET HG3 . 34551 1 708 . 1 . 1 69 69 MET HE1 H 1 1.818 0.020 . 1 . . . . A 69 MET HE1 . 34551 1 709 . 1 . 1 69 69 MET HE2 H 1 1.818 0.020 . 1 . . . . A 69 MET HE2 . 34551 1 710 . 1 . 1 69 69 MET HE3 H 1 1.818 0.020 . 1 . . . . A 69 MET HE3 . 34551 1 711 . 1 . 1 69 69 MET CA C 13 57.047 0.3 . 1 . . . . A 69 MET CA . 34551 1 712 . 1 . 1 69 69 MET CB C 13 31.256 0.3 . 1 . . . . A 69 MET CB . 34551 1 713 . 1 . 1 69 69 MET CG C 13 33.064 0.3 . 1 . . . . A 69 MET CG . 34551 1 714 . 1 . 1 69 69 MET CE C 13 16.885 0.3 . 1 . . . . A 69 MET CE . 34551 1 715 . 1 . 1 69 69 MET N N 15 116.072 0.3 . 1 . . . . A 69 MET N . 34551 1 716 . 1 . 1 70 70 GLN H H 1 7.713 0.020 . 1 . . . . A 70 GLN H . 34551 1 717 . 1 . 1 70 70 GLN HA H 1 3.681 0.020 . 1 . . . . A 70 GLN HA . 34551 1 718 . 1 . 1 70 70 GLN HB2 H 1 2.173 0.020 . 2 . . . . A 70 GLN HB2 . 34551 1 719 . 1 . 1 70 70 GLN HB3 H 1 2.041 0.020 . 2 . . . . A 70 GLN HB3 . 34551 1 720 . 1 . 1 70 70 GLN HG2 H 1 2.378 0.020 . 2 . . . . A 70 GLN HG2 . 34551 1 721 . 1 . 1 70 70 GLN HG3 H 1 2.311 0.020 . 2 . . . . A 70 GLN HG3 . 34551 1 722 . 1 . 1 70 70 GLN HE21 H 1 7.674 0.020 . 1 . . . . A 70 GLN HE21 . 34551 1 723 . 1 . 1 70 70 GLN HE22 H 1 7.068 0.020 . 1 . . . . A 70 GLN HE22 . 34551 1 724 . 1 . 1 70 70 GLN CA C 13 61.641 0.3 . 1 . . . . A 70 GLN CA . 34551 1 725 . 1 . 1 70 70 GLN CB C 13 28.552 0.3 . 1 . . . . A 70 GLN CB . 34551 1 726 . 1 . 1 70 70 GLN CG C 13 34.460 0.3 . 1 . . . . A 70 GLN CG . 34551 1 727 . 1 . 1 70 70 GLN N N 15 124.179 0.3 . 1 . . . . A 70 GLN N . 34551 1 728 . 1 . 1 70 70 GLN NE2 N 15 112.872 0.3 . 1 . . . . A 70 GLN NE2 . 34551 1 729 . 1 . 1 71 71 VAL H H 1 7.957 0.020 . 1 . . . . A 71 VAL H . 34551 1 730 . 1 . 1 71 71 VAL HA H 1 3.472 0.020 . 1 . . . . A 71 VAL HA . 34551 1 731 . 1 . 1 71 71 VAL HB H 1 1.857 0.020 . 1 . . . . A 71 VAL HB . 34551 1 732 . 1 . 1 71 71 VAL HG11 H 1 0.882 0.020 . 2 . . . . A 71 VAL HG11 . 34551 1 733 . 1 . 1 71 71 VAL HG12 H 1 0.882 0.020 . 2 . . . . A 71 VAL HG12 . 34551 1 734 . 1 . 1 71 71 VAL HG13 H 1 0.882 0.020 . 2 . . . . A 71 VAL HG13 . 34551 1 735 . 1 . 1 71 71 VAL HG21 H 1 0.811 0.020 . 2 . . . . A 71 VAL HG21 . 34551 1 736 . 1 . 1 71 71 VAL HG22 H 1 0.811 0.020 . 2 . . . . A 71 VAL HG22 . 34551 1 737 . 1 . 1 71 71 VAL HG23 H 1 0.811 0.020 . 2 . . . . A 71 VAL HG23 . 34551 1 738 . 1 . 1 71 71 VAL CA C 13 67.255 0.3 . 1 . . . . A 71 VAL CA . 34551 1 739 . 1 . 1 71 71 VAL CB C 13 32.217 0.3 . 1 . . . . A 71 VAL CB . 34551 1 740 . 1 . 1 71 71 VAL CG1 C 13 23.808 0.3 . 1 . . . . A 71 VAL CG1 . 34551 1 741 . 1 . 1 71 71 VAL CG2 C 13 23.416 0.3 . 1 . . . . A 71 VAL CG2 . 34551 1 742 . 1 . 1 71 71 VAL N N 15 120.143 0.3 . 1 . . . . A 71 VAL N . 34551 1 743 . 1 . 1 72 72 ALA H H 1 8.767 0.020 . 1 . . . . A 72 ALA H . 34551 1 744 . 1 . 1 72 72 ALA HA H 1 4.026 0.020 . 1 . . . . A 72 ALA HA . 34551 1 745 . 1 . 1 72 72 ALA HB1 H 1 1.418 0.020 . 1 . . . . A 72 ALA HB1 . 34551 1 746 . 1 . 1 72 72 ALA HB2 H 1 1.418 0.020 . 1 . . . . A 72 ALA HB2 . 34551 1 747 . 1 . 1 72 72 ALA HB3 H 1 1.418 0.020 . 1 . . . . A 72 ALA HB3 . 34551 1 748 . 1 . 1 72 72 ALA CA C 13 56.121 0.3 . 1 . . . . A 72 ALA CA . 34551 1 749 . 1 . 1 72 72 ALA CB C 13 18.478 0.3 . 1 . . . . A 72 ALA CB . 34551 1 750 . 1 . 1 72 72 ALA N N 15 127.441 0.3 . 1 . . . . A 72 ALA N . 34551 1 751 . 1 . 1 73 73 LEU H H 1 7.719 0.020 . 1 . . . . A 73 LEU H . 34551 1 752 . 1 . 1 73 73 LEU HA H 1 3.925 0.020 . 1 . . . . A 73 LEU HA . 34551 1 753 . 1 . 1 73 73 LEU HB2 H 1 1.836 0.020 . 2 . . . . A 73 LEU HB2 . 34551 1 754 . 1 . 1 73 73 LEU HB3 H 1 1.486 0.020 . 2 . . . . A 73 LEU HB3 . 34551 1 755 . 1 . 1 73 73 LEU HG H 1 1.444 0.020 . 1 . . . . A 73 LEU HG . 34551 1 756 . 1 . 1 73 73 LEU HD11 H 1 0.731 0.020 . 2 . . . . A 73 LEU HD11 . 34551 1 757 . 1 . 1 73 73 LEU HD12 H 1 0.731 0.020 . 2 . . . . A 73 LEU HD12 . 34551 1 758 . 1 . 1 73 73 LEU HD13 H 1 0.731 0.020 . 2 . . . . A 73 LEU HD13 . 34551 1 759 . 1 . 1 73 73 LEU HD21 H 1 0.315 0.020 . 2 . . . . A 73 LEU HD21 . 34551 1 760 . 1 . 1 73 73 LEU HD22 H 1 0.315 0.020 . 2 . . . . A 73 LEU HD22 . 34551 1 761 . 1 . 1 73 73 LEU HD23 H 1 0.315 0.020 . 2 . . . . A 73 LEU HD23 . 34551 1 762 . 1 . 1 73 73 LEU CA C 13 58.979 0.3 . 1 . . . . A 73 LEU CA . 34551 1 763 . 1 . 1 73 73 LEU CB C 13 42.178 0.3 . 1 . . . . A 73 LEU CB . 34551 1 764 . 1 . 1 73 73 LEU CG C 13 28.208 0.3 . 1 . . . . A 73 LEU CG . 34551 1 765 . 1 . 1 73 73 LEU CD1 C 13 24.661 0.3 . 1 . . . . A 73 LEU CD1 . 34551 1 766 . 1 . 1 73 73 LEU CD2 C 13 26.261 0.3 . 1 . . . . A 73 LEU CD2 . 34551 1 767 . 1 . 1 73 73 LEU N N 15 120.490 0.3 . 1 . . . . A 73 LEU N . 34551 1 768 . 1 . 1 74 74 ALA H H 1 8.434 0.020 . 1 . . . . A 74 ALA H . 34551 1 769 . 1 . 1 74 74 ALA HA H 1 3.595 0.020 . 1 . . . . A 74 ALA HA . 34551 1 770 . 1 . 1 74 74 ALA HB1 H 1 1.027 0.020 . 1 . . . . A 74 ALA HB1 . 34551 1 771 . 1 . 1 74 74 ALA HB2 H 1 1.027 0.020 . 1 . . . . A 74 ALA HB2 . 34551 1 772 . 1 . 1 74 74 ALA HB3 H 1 1.027 0.020 . 1 . . . . A 74 ALA HB3 . 34551 1 773 . 1 . 1 74 74 ALA CA C 13 56.193 0.3 . 1 . . . . A 74 ALA CA . 34551 1 774 . 1 . 1 74 74 ALA CB C 13 19.506 0.3 . 1 . . . . A 74 ALA CB . 34551 1 775 . 1 . 1 74 74 ALA N N 15 122.043 0.3 . 1 . . . . A 74 ALA N . 34551 1 776 . 1 . 1 75 75 SER H H 1 9.090 0.020 . 1 . . . . A 75 SER H . 34551 1 777 . 1 . 1 75 75 SER HA H 1 3.794 0.020 . 1 . . . . A 75 SER HA . 34551 1 778 . 1 . 1 75 75 SER HB2 H 1 4.053 0.020 . 2 . . . . A 75 SER HB2 . 34551 1 779 . 1 . 1 75 75 SER HB3 H 1 3.618 0.020 . 2 . . . . A 75 SER HB3 . 34551 1 780 . 1 . 1 75 75 SER CA C 13 62.681 0.3 . 1 . . . . A 75 SER CA . 34551 1 781 . 1 . 1 75 75 SER CB C 13 63.046 0.3 . 1 . . . . A 75 SER CB . 34551 1 782 . 1 . 1 75 75 SER N N 15 113.954 0.3 . 1 . . . . A 75 SER N . 34551 1 783 . 1 . 1 76 76 SER H H 1 7.913 0.020 . 1 . . . . A 76 SER H . 34551 1 784 . 1 . 1 76 76 SER HA H 1 4.002 0.020 . 1 . . . . A 76 SER HA . 34551 1 785 . 1 . 1 76 76 SER HB2 H 1 3.776 0.020 . 2 . . . . A 76 SER HB2 . 34551 1 786 . 1 . 1 76 76 SER HB3 H 1 3.603 0.020 . 2 . . . . A 76 SER HB3 . 34551 1 787 . 1 . 1 76 76 SER CA C 13 63.459 0.3 . 1 . . . . A 76 SER CA . 34551 1 788 . 1 . 1 76 76 SER CB C 13 63.065 0.3 . 1 . . . . A 76 SER CB . 34551 1 789 . 1 . 1 76 76 SER N N 15 122.572 0.3 . 1 . . . . A 76 SER N . 34551 1 790 . 1 . 1 77 77 ILE H H 1 7.555 0.020 . 1 . . . . A 77 ILE H . 34551 1 791 . 1 . 1 77 77 ILE HA H 1 3.558 0.020 . 1 . . . . A 77 ILE HA . 34551 1 792 . 1 . 1 77 77 ILE HB H 1 1.951 0.020 . 1 . . . . A 77 ILE HB . 34551 1 793 . 1 . 1 77 77 ILE HG12 H 1 0.987 0.020 . 2 . . . . A 77 ILE HG12 . 34551 1 794 . 1 . 1 77 77 ILE HG13 H 1 2.136 0.020 . 2 . . . . A 77 ILE HG13 . 34551 1 795 . 1 . 1 77 77 ILE HG21 H 1 1.005 0.020 . 1 . . . . A 77 ILE HG21 . 34551 1 796 . 1 . 1 77 77 ILE HG22 H 1 1.005 0.020 . 1 . . . . A 77 ILE HG22 . 34551 1 797 . 1 . 1 77 77 ILE HG23 H 1 1.005 0.020 . 1 . . . . A 77 ILE HG23 . 34551 1 798 . 1 . 1 77 77 ILE HD11 H 1 0.823 0.020 . 1 . . . . A 77 ILE HD11 . 34551 1 799 . 1 . 1 77 77 ILE HD12 H 1 0.823 0.020 . 1 . . . . A 77 ILE HD12 . 34551 1 800 . 1 . 1 77 77 ILE HD13 H 1 0.823 0.020 . 1 . . . . A 77 ILE HD13 . 34551 1 801 . 1 . 1 77 77 ILE CA C 13 66.755 0.3 . 1 . . . . A 77 ILE CA . 34551 1 802 . 1 . 1 77 77 ILE CB C 13 38.792 0.3 . 1 . . . . A 77 ILE CB . 34551 1 803 . 1 . 1 77 77 ILE CG1 C 13 30.715 0.3 . 1 . . . . A 77 ILE CG1 . 34551 1 804 . 1 . 1 77 77 ILE CG2 C 13 19.006 0.3 . 1 . . . . A 77 ILE CG2 . 34551 1 805 . 1 . 1 77 77 ILE CD1 C 13 14.493 0.3 . 1 . . . . A 77 ILE CD1 . 34551 1 806 . 1 . 1 77 77 ILE N N 15 123.198 0.3 . 1 . . . . A 77 ILE N . 34551 1 807 . 1 . 1 78 78 ALA H H 1 8.098 0.020 . 1 . . . . A 78 ALA H . 34551 1 808 . 1 . 1 78 78 ALA HA H 1 3.701 0.020 . 1 . . . . A 78 ALA HA . 34551 1 809 . 1 . 1 78 78 ALA HB1 H 1 1.345 0.020 . 1 . . . . A 78 ALA HB1 . 34551 1 810 . 1 . 1 78 78 ALA HB2 H 1 1.345 0.020 . 1 . . . . A 78 ALA HB2 . 34551 1 811 . 1 . 1 78 78 ALA HB3 H 1 1.345 0.020 . 1 . . . . A 78 ALA HB3 . 34551 1 812 . 1 . 1 78 78 ALA CA C 13 55.988 0.3 . 1 . . . . A 78 ALA CA . 34551 1 813 . 1 . 1 78 78 ALA CB C 13 22.048 0.3 . 1 . . . . A 78 ALA CB . 34551 1 814 . 1 . 1 78 78 ALA N N 15 121.194 0.3 . 1 . . . . A 78 ALA N . 34551 1 815 . 1 . 1 79 79 GLU H H 1 8.566 0.020 . 1 . . . . A 79 GLU H . 34551 1 816 . 1 . 1 79 79 GLU HA H 1 4.089 0.020 . 1 . . . . A 79 GLU HA . 34551 1 817 . 1 . 1 79 79 GLU HB2 H 1 1.696 0.020 . 1 . . . . A 79 GLU HB2 . 34551 1 818 . 1 . 1 79 79 GLU HG2 H 1 2.137 0.020 . 1 . . . . A 79 GLU HG2 . 34551 1 819 . 1 . 1 79 79 GLU HG3 H 1 2.137 0.020 . 1 . . . . A 79 GLU HG3 . 34551 1 820 . 1 . 1 79 79 GLU CA C 13 57.495 0.3 . 1 . . . . A 79 GLU CA . 34551 1 821 . 1 . 1 79 79 GLU CB C 13 27.319 0.3 . 1 . . . . A 79 GLU CB . 34551 1 822 . 1 . 1 79 79 GLU CG C 13 31.458 0.3 . 1 . . . . A 79 GLU CG . 34551 1 823 . 1 . 1 79 79 GLU N N 15 115.521 0.3 . 1 . . . . A 79 GLU N . 34551 1 824 . 1 . 1 80 80 LEU H H 1 7.962 0.020 . 1 . . . . A 80 LEU H . 34551 1 825 . 1 . 1 80 80 LEU HA H 1 3.751 0.020 . 1 . . . . A 80 LEU HA . 34551 1 826 . 1 . 1 80 80 LEU HB2 H 1 1.545 0.020 . 2 . . . . A 80 LEU HB2 . 34551 1 827 . 1 . 1 80 80 LEU HB3 H 1 0.198 0.020 . 2 . . . . A 80 LEU HB3 . 34551 1 828 . 1 . 1 80 80 LEU HG H 1 1.415 0.020 . 1 . . . . A 80 LEU HG . 34551 1 829 . 1 . 1 80 80 LEU HD11 H 1 0.270 0.020 . 2 . . . . A 80 LEU HD11 . 34551 1 830 . 1 . 1 80 80 LEU HD12 H 1 0.270 0.020 . 2 . . . . A 80 LEU HD12 . 34551 1 831 . 1 . 1 80 80 LEU HD13 H 1 0.270 0.020 . 2 . . . . A 80 LEU HD13 . 34551 1 832 . 1 . 1 80 80 LEU HD21 H 1 -0.009 0.020 . 2 . . . . A 80 LEU HD21 . 34551 1 833 . 1 . 1 80 80 LEU HD22 H 1 -0.009 0.020 . 2 . . . . A 80 LEU HD22 . 34551 1 834 . 1 . 1 80 80 LEU HD23 H 1 -0.009 0.020 . 2 . . . . A 80 LEU HD23 . 34551 1 835 . 1 . 1 80 80 LEU CA C 13 58.849 0.3 . 1 . . . . A 80 LEU CA . 34551 1 836 . 1 . 1 80 80 LEU CB C 13 42.726 0.3 . 1 . . . . A 80 LEU CB . 34551 1 837 . 1 . 1 80 80 LEU CG C 13 26.597 0.3 . 1 . . . . A 80 LEU CG . 34551 1 838 . 1 . 1 80 80 LEU CD1 C 13 23.663 0.3 . 1 . . . . A 80 LEU CD1 . 34551 1 839 . 1 . 1 80 80 LEU CD2 C 13 26.284 0.3 . 1 . . . . A 80 LEU CD2 . 34551 1 840 . 1 . 1 80 80 LEU N N 15 121.229 0.3 . 1 . . . . A 80 LEU N . 34551 1 841 . 1 . 1 81 81 VAL H H 1 7.920 0.020 . 1 . . . . A 81 VAL H . 34551 1 842 . 1 . 1 81 81 VAL HA H 1 3.392 0.020 . 1 . . . . A 81 VAL HA . 34551 1 843 . 1 . 1 81 81 VAL HB H 1 2.452 0.020 . 1 . . . . A 81 VAL HB . 34551 1 844 . 1 . 1 81 81 VAL HG11 H 1 1.233 0.020 . 2 . . . . A 81 VAL HG11 . 34551 1 845 . 1 . 1 81 81 VAL HG12 H 1 1.233 0.020 . 2 . . . . A 81 VAL HG12 . 34551 1 846 . 1 . 1 81 81 VAL HG13 H 1 1.233 0.020 . 2 . . . . A 81 VAL HG13 . 34551 1 847 . 1 . 1 81 81 VAL HG21 H 1 0.889 0.020 . 2 . . . . A 81 VAL HG21 . 34551 1 848 . 1 . 1 81 81 VAL HG22 H 1 0.889 0.020 . 2 . . . . A 81 VAL HG22 . 34551 1 849 . 1 . 1 81 81 VAL HG23 H 1 0.889 0.020 . 2 . . . . A 81 VAL HG23 . 34551 1 850 . 1 . 1 81 81 VAL CA C 13 69.330 0.3 . 1 . . . . A 81 VAL CA . 34551 1 851 . 1 . 1 81 81 VAL CB C 13 31.487 0.3 . 1 . . . . A 81 VAL CB . 34551 1 852 . 1 . 1 81 81 VAL CG1 C 13 25.651 0.3 . 1 . . . . A 81 VAL CG1 . 34551 1 853 . 1 . 1 81 81 VAL CG2 C 13 22.361 0.3 . 1 . . . . A 81 VAL CG2 . 34551 1 854 . 1 . 1 81 81 VAL N N 15 119.318 0.3 . 1 . . . . A 81 VAL N . 34551 1 855 . 1 . 1 82 82 ILE H H 1 7.018 0.020 . 1 . . . . A 82 ILE H . 34551 1 856 . 1 . 1 82 82 ILE HA H 1 3.433 0.020 . 1 . . . . A 82 ILE HA . 34551 1 857 . 1 . 1 82 82 ILE HB H 1 1.651 0.020 . 1 . . . . A 82 ILE HB . 34551 1 858 . 1 . 1 82 82 ILE HG12 H 1 0.880 0.020 . 2 . . . . A 82 ILE HG12 . 34551 1 859 . 1 . 1 82 82 ILE HG13 H 1 1.587 0.020 . 2 . . . . A 82 ILE HG13 . 34551 1 860 . 1 . 1 82 82 ILE HG21 H 1 0.733 0.020 . 1 . . . . A 82 ILE HG21 . 34551 1 861 . 1 . 1 82 82 ILE HG22 H 1 0.733 0.020 . 1 . . . . A 82 ILE HG22 . 34551 1 862 . 1 . 1 82 82 ILE HG23 H 1 0.733 0.020 . 1 . . . . A 82 ILE HG23 . 34551 1 863 . 1 . 1 82 82 ILE HD11 H 1 0.783 0.020 . 1 . . . . A 82 ILE HD11 . 34551 1 864 . 1 . 1 82 82 ILE HD12 H 1 0.783 0.020 . 1 . . . . A 82 ILE HD12 . 34551 1 865 . 1 . 1 82 82 ILE HD13 H 1 0.783 0.020 . 1 . . . . A 82 ILE HD13 . 34551 1 866 . 1 . 1 82 82 ILE CA C 13 65.218 0.3 . 1 . . . . A 82 ILE CA . 34551 1 867 . 1 . 1 82 82 ILE CB C 13 39.313 0.3 . 1 . . . . A 82 ILE CB . 34551 1 868 . 1 . 1 82 82 ILE CG1 C 13 29.252 0.3 . 1 . . . . A 82 ILE CG1 . 34551 1 869 . 1 . 1 82 82 ILE CG2 C 13 18.120 0.3 . 1 . . . . A 82 ILE CG2 . 34551 1 870 . 1 . 1 82 82 ILE CD1 C 13 15.848 0.3 . 1 . . . . A 82 ILE CD1 . 34551 1 871 . 1 . 1 82 82 ILE N N 15 117.756 0.3 . 1 . . . . A 82 ILE N . 34551 1 872 . 1 . 1 83 83 ALA H H 1 9.205 0.020 . 1 . . . . A 83 ALA H . 34551 1 873 . 1 . 1 83 83 ALA HA H 1 4.223 0.020 . 1 . . . . A 83 ALA HA . 34551 1 874 . 1 . 1 83 83 ALA HB1 H 1 1.379 0.020 . 1 . . . . A 83 ALA HB1 . 34551 1 875 . 1 . 1 83 83 ALA HB2 H 1 1.379 0.020 . 1 . . . . A 83 ALA HB2 . 34551 1 876 . 1 . 1 83 83 ALA HB3 H 1 1.379 0.020 . 1 . . . . A 83 ALA HB3 . 34551 1 877 . 1 . 1 83 83 ALA CA C 13 54.972 0.3 . 1 . . . . A 83 ALA CA . 34551 1 878 . 1 . 1 83 83 ALA CB C 13 19.670 0.3 . 1 . . . . A 83 ALA CB . 34551 1 879 . 1 . 1 83 83 ALA N N 15 122.757 0.3 . 1 . . . . A 83 ALA N . 34551 1 880 . 1 . 1 84 84 GLU H H 1 8.174 0.020 . 1 . . . . A 84 GLU H . 34551 1 881 . 1 . 1 84 84 GLU HA H 1 4.500 0.020 . 1 . . . . A 84 GLU HA . 34551 1 882 . 1 . 1 84 84 GLU HB2 H 1 2.567 0.020 . 2 . . . . A 84 GLU HB2 . 34551 1 883 . 1 . 1 84 84 GLU HB3 H 1 1.957 0.020 . 2 . . . . A 84 GLU HB3 . 34551 1 884 . 1 . 1 84 84 GLU HG2 H 1 2.835 0.020 . 2 . . . . A 84 GLU HG2 . 34551 1 885 . 1 . 1 84 84 GLU HG3 H 1 2.117 0.020 . 2 . . . . A 84 GLU HG3 . 34551 1 886 . 1 . 1 84 84 GLU CA C 13 55.829 0.3 . 1 . . . . A 84 GLU CA . 34551 1 887 . 1 . 1 84 84 GLU CB C 13 28.466 0.3 . 1 . . . . A 84 GLU CB . 34551 1 888 . 1 . 1 84 84 GLU CG C 13 33.008 0.3 . 1 . . . . A 84 GLU CG . 34551 1 889 . 1 . 1 84 84 GLU N N 15 115.729 0.3 . 1 . . . . A 84 GLU N . 34551 1 890 . 1 . 1 85 85 SER H H 1 7.714 0.020 . 1 . . . . A 85 SER H . 34551 1 891 . 1 . 1 85 85 SER HA H 1 4.515 0.020 . 1 . . . . A 85 SER HA . 34551 1 892 . 1 . 1 85 85 SER HB2 H 1 4.036 0.020 . 2 . . . . A 85 SER HB2 . 34551 1 893 . 1 . 1 85 85 SER HB3 H 1 3.971 0.020 . 2 . . . . A 85 SER HB3 . 34551 1 894 . 1 . 1 85 85 SER CA C 13 59.702 0.3 . 1 . . . . A 85 SER CA . 34551 1 895 . 1 . 1 85 85 SER CB C 13 64.619 0.3 . 1 . . . . A 85 SER CB . 34551 1 896 . 1 . 1 85 85 SER N N 15 117.799 0.3 . 1 . . . . A 85 SER N . 34551 1 897 . 1 . 1 86 86 SER H H 1 9.124 0.020 . 1 . . . . A 86 SER H . 34551 1 898 . 1 . 1 86 86 SER HA H 1 4.509 0.020 . 1 . . . . A 86 SER HA . 34551 1 899 . 1 . 1 86 86 SER HB2 H 1 3.881 0.020 . 2 . . . . A 86 SER HB2 . 34551 1 900 . 1 . 1 86 86 SER HB3 H 1 3.786 0.020 . 2 . . . . A 86 SER HB3 . 34551 1 901 . 1 . 1 86 86 SER CA C 13 58.879 0.3 . 1 . . . . A 86 SER CA . 34551 1 902 . 1 . 1 86 86 SER CB C 13 64.754 0.3 . 1 . . . . A 86 SER CB . 34551 1 903 . 1 . 1 86 86 SER N N 15 120.184 0.3 . 1 . . . . A 86 SER N . 34551 1 904 . 1 . 1 87 87 GLY H H 1 8.610 0.020 . 1 . . . . A 87 GLY H . 34551 1 905 . 1 . 1 87 87 GLY HA2 H 1 4.112 0.020 . 2 . . . . A 87 GLY HA2 . 34551 1 906 . 1 . 1 87 87 GLY HA3 H 1 3.712 0.020 . 2 . . . . A 87 GLY HA3 . 34551 1 907 . 1 . 1 87 87 GLY CA C 13 46.577 0.3 . 1 . . . . A 87 GLY CA . 34551 1 908 . 1 . 1 87 87 GLY N N 15 112.880 0.3 . 1 . . . . A 87 GLY N . 34551 1 909 . 1 . 1 88 88 GLY H H 1 8.465 0.020 . 1 . . . . A 88 GLY H . 34551 1 910 . 1 . 1 88 88 GLY HA2 H 1 4.051 0.020 . 2 . . . . A 88 GLY HA2 . 34551 1 911 . 1 . 1 88 88 GLY HA3 H 1 3.805 0.020 . 2 . . . . A 88 GLY HA3 . 34551 1 912 . 1 . 1 88 88 GLY CA C 13 46.156 0.3 . 1 . . . . A 88 GLY CA . 34551 1 913 . 1 . 1 88 88 GLY N N 15 112.045 0.3 . 1 . . . . A 88 GLY N . 34551 1 914 . 1 . 1 89 89 ASP H H 1 8.517 0.020 . 1 . . . . A 89 ASP H . 34551 1 915 . 1 . 1 89 89 ASP HA H 1 4.685 0.020 . 1 . . . . A 89 ASP HA . 34551 1 916 . 1 . 1 89 89 ASP HB2 H 1 2.791 0.020 . 2 . . . . A 89 ASP HB2 . 34551 1 917 . 1 . 1 89 89 ASP HB3 H 1 2.620 0.020 . 2 . . . . A 89 ASP HB3 . 34551 1 918 . 1 . 1 89 89 ASP CA C 13 54.105 0.3 . 1 . . . . A 89 ASP CA . 34551 1 919 . 1 . 1 89 89 ASP CB C 13 41.514 0.3 . 1 . . . . A 89 ASP CB . 34551 1 920 . 1 . 1 89 89 ASP N N 15 119.878 0.3 . 1 . . . . A 89 ASP N . 34551 1 921 . 1 . 1 90 90 VAL H H 1 8.070 0.020 . 1 . . . . A 90 VAL H . 34551 1 922 . 1 . 1 90 90 VAL HA H 1 3.619 0.020 . 1 . . . . A 90 VAL HA . 34551 1 923 . 1 . 1 90 90 VAL HB H 1 2.057 0.020 . 1 . . . . A 90 VAL HB . 34551 1 924 . 1 . 1 90 90 VAL HG11 H 1 0.945 0.020 . 2 . . . . A 90 VAL HG11 . 34551 1 925 . 1 . 1 90 90 VAL HG12 H 1 0.945 0.020 . 2 . . . . A 90 VAL HG12 . 34551 1 926 . 1 . 1 90 90 VAL HG13 H 1 0.945 0.020 . 2 . . . . A 90 VAL HG13 . 34551 1 927 . 1 . 1 90 90 VAL HG21 H 1 0.749 0.020 . 2 . . . . A 90 VAL HG21 . 34551 1 928 . 1 . 1 90 90 VAL HG22 H 1 0.749 0.020 . 2 . . . . A 90 VAL HG22 . 34551 1 929 . 1 . 1 90 90 VAL HG23 H 1 0.749 0.020 . 2 . . . . A 90 VAL HG23 . 34551 1 930 . 1 . 1 90 90 VAL CA C 13 67.132 0.3 . 1 . . . . A 90 VAL CA . 34551 1 931 . 1 . 1 90 90 VAL CB C 13 32.279 0.3 . 1 . . . . A 90 VAL CB . 34551 1 932 . 1 . 1 90 90 VAL CG1 C 13 23.791 0.3 . 1 . . . . A 90 VAL CG1 . 34551 1 933 . 1 . 1 90 90 VAL CG2 C 13 21.459 0.3 . 1 . . . . A 90 VAL CG2 . 34551 1 934 . 1 . 1 90 90 VAL N N 15 123.209 0.3 . 1 . . . . A 90 VAL N . 34551 1 935 . 1 . 1 91 91 GLN H H 1 8.599 0.020 . 1 . . . . A 91 GLN H . 34551 1 936 . 1 . 1 91 91 GLN HA H 1 3.923 0.020 . 1 . . . . A 91 GLN HA . 34551 1 937 . 1 . 1 91 91 GLN HB2 H 1 2.068 0.020 . 2 . . . . A 91 GLN HB2 . 34551 1 938 . 1 . 1 91 91 GLN HB3 H 1 2.029 0.020 . 2 . . . . A 91 GLN HB3 . 34551 1 939 . 1 . 1 91 91 GLN HG2 H 1 2.299 0.020 . 1 . . . . A 91 GLN HG2 . 34551 1 940 . 1 . 1 91 91 GLN HG3 H 1 2.299 0.020 . 1 . . . . A 91 GLN HG3 . 34551 1 941 . 1 . 1 91 91 GLN HE21 H 1 6.193 0.020 . 1 . . . . A 91 GLN HE21 . 34551 1 942 . 1 . 1 91 91 GLN HE22 H 1 7.247 0.020 . 1 . . . . A 91 GLN HE22 . 34551 1 943 . 1 . 1 91 91 GLN CA C 13 60.570 0.3 . 1 . . . . A 91 GLN CA . 34551 1 944 . 1 . 1 91 91 GLN CB C 13 28.333 0.3 . 1 . . . . A 91 GLN CB . 34551 1 945 . 1 . 1 91 91 GLN CG C 13 34.788 0.3 . 1 . . . . A 91 GLN CG . 34551 1 946 . 1 . 1 91 91 GLN N N 15 125.695 0.3 . 1 . . . . A 91 GLN N . 34551 1 947 . 1 . 1 91 91 GLN NE2 N 15 109.530 0.3 . 1 . . . . A 91 GLN NE2 . 34551 1 948 . 1 . 1 92 92 ARG H H 1 8.109 0.020 . 1 . . . . A 92 ARG H . 34551 1 949 . 1 . 1 92 92 ARG HA H 1 4.022 0.020 . 1 . . . . A 92 ARG HA . 34551 1 950 . 1 . 1 92 92 ARG HB2 H 1 1.836 0.020 . 2 . . . . A 92 ARG HB2 . 34551 1 951 . 1 . 1 92 92 ARG HB3 H 1 1.761 0.020 . 2 . . . . A 92 ARG HB3 . 34551 1 952 . 1 . 1 92 92 ARG HG2 H 1 1.350 0.020 . 2 . . . . A 92 ARG HG2 . 34551 1 953 . 1 . 1 92 92 ARG HG3 H 1 1.552 0.020 . 2 . . . . A 92 ARG HG3 . 34551 1 954 . 1 . 1 92 92 ARG HD2 H 1 3.089 0.020 . 2 . . . . A 92 ARG HD2 . 34551 1 955 . 1 . 1 92 92 ARG HD3 H 1 3.200 0.020 . 2 . . . . A 92 ARG HD3 . 34551 1 956 . 1 . 1 92 92 ARG HE H 1 7.970 0.020 . 1 . . . . A 92 ARG HE . 34551 1 957 . 1 . 1 92 92 ARG CA C 13 60.178 0.3 . 1 . . . . A 92 ARG CA . 34551 1 958 . 1 . 1 92 92 ARG CB C 13 30.713 0.3 . 1 . . . . A 92 ARG CB . 34551 1 959 . 1 . 1 92 92 ARG CG C 13 28.381 0.3 . 1 . . . . A 92 ARG CG . 34551 1 960 . 1 . 1 92 92 ARG CD C 13 43.983 0.3 . 1 . . . . A 92 ARG CD . 34551 1 961 . 1 . 1 92 92 ARG N N 15 123.471 0.3 . 1 . . . . A 92 ARG N . 34551 1 962 . 1 . 1 92 92 ARG NE N 15 87.330 0.3 . 1 . . . . A 92 ARG NE . 34551 1 963 . 1 . 1 93 93 LYS H H 1 8.297 0.020 . 1 . . . . A 93 LYS H . 34551 1 964 . 1 . 1 93 93 LYS HA H 1 3.684 0.020 . 1 . . . . A 93 LYS HA . 34551 1 965 . 1 . 1 93 93 LYS HB2 H 1 1.493 0.020 . 2 . . . . A 93 LYS HB2 . 34551 1 966 . 1 . 1 93 93 LYS HB3 H 1 1.787 0.020 . 2 . . . . A 93 LYS HB3 . 34551 1 967 . 1 . 1 93 93 LYS HE2 H 1 2.253 0.020 . 2 . . . . A 93 LYS HE2 . 34551 1 968 . 1 . 1 93 93 LYS HE3 H 1 2.795 0.020 . 2 . . . . A 93 LYS HE3 . 34551 1 969 . 1 . 1 93 93 LYS CA C 13 61.460 0.3 . 1 . . . . A 93 LYS CA . 34551 1 970 . 1 . 1 93 93 LYS CB C 13 36.577 0.3 . 1 . . . . A 93 LYS CB . 34551 1 971 . 1 . 1 93 93 LYS CG C 13 22.396 0.3 . 1 . . . . A 93 LYS CG . 34551 1 972 . 1 . 1 93 93 LYS CD C 13 28.071 0.3 . 1 . . . . A 93 LYS CD . 34551 1 973 . 1 . 1 93 93 LYS CE C 13 43.313 0.3 . 1 . . . . A 93 LYS CE . 34551 1 974 . 1 . 1 93 93 LYS N N 15 119.067 0.3 . 1 . . . . A 93 LYS N . 34551 1 975 . 1 . 1 94 94 THR H H 1 8.526 0.020 . 1 . . . . A 94 THR H . 34551 1 976 . 1 . 1 94 94 THR HA H 1 4.382 0.020 . 1 . . . . A 94 THR HA . 34551 1 977 . 1 . 1 94 94 THR HB H 1 3.692 0.020 . 1 . . . . A 94 THR HB . 34551 1 978 . 1 . 1 94 94 THR HG21 H 1 1.136 0.020 . 1 . . . . A 94 THR HG21 . 34551 1 979 . 1 . 1 94 94 THR HG22 H 1 1.136 0.020 . 1 . . . . A 94 THR HG22 . 34551 1 980 . 1 . 1 94 94 THR HG23 H 1 1.136 0.020 . 1 . . . . A 94 THR HG23 . 34551 1 981 . 1 . 1 94 94 THR CA C 13 68.850 0.3 . 1 . . . . A 94 THR CA . 34551 1 982 . 1 . 1 94 94 THR CB C 13 68.623 0.3 . 1 . . . . A 94 THR CB . 34551 1 983 . 1 . 1 94 94 THR CG2 C 13 21.167 0.3 . 1 . . . . A 94 THR CG2 . 34551 1 984 . 1 . 1 94 94 THR N N 15 119.083 0.3 . 1 . . . . A 94 THR N . 34551 1 985 . 1 . 1 95 95 ASN H H 1 8.125 0.020 . 1 . . . . A 95 ASN H . 34551 1 986 . 1 . 1 95 95 ASN HA H 1 4.387 0.020 . 1 . . . . A 95 ASN HA . 34551 1 987 . 1 . 1 95 95 ASN HB2 H 1 2.970 0.020 . 2 . . . . A 95 ASN HB2 . 34551 1 988 . 1 . 1 95 95 ASN HB3 H 1 2.870 0.020 . 2 . . . . A 95 ASN HB3 . 34551 1 989 . 1 . 1 95 95 ASN HD21 H 1 6.935 0.020 . 1 . . . . A 95 ASN HD21 . 34551 1 990 . 1 . 1 95 95 ASN HD22 H 1 7.575 0.020 . 1 . . . . A 95 ASN HD22 . 34551 1 991 . 1 . 1 95 95 ASN CA C 13 57.327 0.3 . 1 . . . . A 95 ASN CA . 34551 1 992 . 1 . 1 95 95 ASN CB C 13 38.508 0.3 . 1 . . . . A 95 ASN CB . 34551 1 993 . 1 . 1 95 95 ASN N N 15 126.537 0.3 . 1 . . . . A 95 ASN N . 34551 1 994 . 1 . 1 95 95 ASN ND2 N 15 113.705 0.3 . 1 . . . . A 95 ASN ND2 . 34551 1 995 . 1 . 1 96 96 VAL H H 1 8.188 0.020 . 1 . . . . A 96 VAL H . 34551 1 996 . 1 . 1 96 96 VAL HA H 1 3.726 0.020 . 1 . . . . A 96 VAL HA . 34551 1 997 . 1 . 1 96 96 VAL HB H 1 2.126 0.020 . 1 . . . . A 96 VAL HB . 34551 1 998 . 1 . 1 96 96 VAL HG11 H 1 0.999 0.020 . 2 . . . . A 96 VAL HG11 . 34551 1 999 . 1 . 1 96 96 VAL HG12 H 1 0.999 0.020 . 2 . . . . A 96 VAL HG12 . 34551 1 1000 . 1 . 1 96 96 VAL HG13 H 1 0.999 0.020 . 2 . . . . A 96 VAL HG13 . 34551 1 1001 . 1 . 1 96 96 VAL HG21 H 1 1.044 0.020 . 2 . . . . A 96 VAL HG21 . 34551 1 1002 . 1 . 1 96 96 VAL HG22 H 1 1.044 0.020 . 2 . . . . A 96 VAL HG22 . 34551 1 1003 . 1 . 1 96 96 VAL HG23 H 1 1.044 0.020 . 2 . . . . A 96 VAL HG23 . 34551 1 1004 . 1 . 1 96 96 VAL CA C 13 67.149 0.3 . 1 . . . . A 96 VAL CA . 34551 1 1005 . 1 . 1 96 96 VAL CB C 13 32.587 0.3 . 1 . . . . A 96 VAL CB . 34551 1 1006 . 1 . 1 96 96 VAL CG1 C 13 21.608 0.3 . 1 . . . . A 96 VAL CG1 . 34551 1 1007 . 1 . 1 96 96 VAL CG2 C 13 23.286 0.3 . 1 . . . . A 96 VAL CG2 . 34551 1 1008 . 1 . 1 96 96 VAL N N 15 121.770 0.3 . 1 . . . . A 96 VAL N . 34551 1 1009 . 1 . 1 97 97 ILE H H 1 8.615 0.020 . 1 . . . . A 97 ILE H . 34551 1 1010 . 1 . 1 97 97 ILE HA H 1 3.907 0.020 . 1 . . . . A 97 ILE HA . 34551 1 1011 . 1 . 1 97 97 ILE HB H 1 2.183 0.020 . 1 . . . . A 97 ILE HB . 34551 1 1012 . 1 . 1 97 97 ILE HG12 H 1 1.421 0.020 . 2 . . . . A 97 ILE HG12 . 34551 1 1013 . 1 . 1 97 97 ILE HG13 H 1 1.631 0.020 . 2 . . . . A 97 ILE HG13 . 34551 1 1014 . 1 . 1 97 97 ILE HG21 H 1 0.959 0.020 . 1 . . . . A 97 ILE HG21 . 34551 1 1015 . 1 . 1 97 97 ILE HG22 H 1 0.959 0.020 . 1 . . . . A 97 ILE HG22 . 34551 1 1016 . 1 . 1 97 97 ILE HG23 H 1 0.959 0.020 . 1 . . . . A 97 ILE HG23 . 34551 1 1017 . 1 . 1 97 97 ILE HD11 H 1 0.339 0.020 . 1 . . . . A 97 ILE HD11 . 34551 1 1018 . 1 . 1 97 97 ILE HD12 H 1 0.339 0.020 . 1 . . . . A 97 ILE HD12 . 34551 1 1019 . 1 . 1 97 97 ILE HD13 H 1 0.339 0.020 . 1 . . . . A 97 ILE HD13 . 34551 1 1020 . 1 . 1 97 97 ILE CA C 13 62.841 0.3 . 1 . . . . A 97 ILE CA . 34551 1 1021 . 1 . 1 97 97 ILE CB C 13 36.724 0.3 . 1 . . . . A 97 ILE CB . 34551 1 1022 . 1 . 1 97 97 ILE CG1 C 13 30.404 0.3 . 1 . . . . A 97 ILE CG1 . 34551 1 1023 . 1 . 1 97 97 ILE CG2 C 13 18.975 0.3 . 1 . . . . A 97 ILE CG2 . 34551 1 1024 . 1 . 1 97 97 ILE CD1 C 13 13.087 0.3 . 1 . . . . A 97 ILE CD1 . 34551 1 1025 . 1 . 1 97 97 ILE N N 15 122.686 0.3 . 1 . . . . A 97 ILE N . 34551 1 1026 . 1 . 1 98 98 SER H H 1 8.688 0.020 . 1 . . . . A 98 SER H . 34551 1 1027 . 1 . 1 98 98 SER HA H 1 4.095 0.020 . 1 . . . . A 98 SER HA . 34551 1 1028 . 1 . 1 98 98 SER HB2 H 1 4.079 0.020 . 2 . . . . A 98 SER HB2 . 34551 1 1029 . 1 . 1 98 98 SER HB3 H 1 4.033 0.020 . 2 . . . . A 98 SER HB3 . 34551 1 1030 . 1 . 1 98 98 SER CA C 13 64.204 0.3 . 1 . . . . A 98 SER CA . 34551 1 1031 . 1 . 1 98 98 SER CB C 13 62.886 0.3 . 1 . . . . A 98 SER CB . 34551 1 1032 . 1 . 1 98 98 SER N N 15 120.442 0.3 . 1 . . . . A 98 SER N . 34551 1 1033 . 1 . 1 99 99 ASN H H 1 7.798 0.020 . 1 . . . . A 99 ASN H . 34551 1 1034 . 1 . 1 99 99 ASN HA H 1 4.452 0.020 . 1 . . . . A 99 ASN HA . 34551 1 1035 . 1 . 1 99 99 ASN HB2 H 1 2.809 0.020 . 2 . . . . A 99 ASN HB2 . 34551 1 1036 . 1 . 1 99 99 ASN HB3 H 1 2.761 0.020 . 2 . . . . A 99 ASN HB3 . 34551 1 1037 . 1 . 1 99 99 ASN HD21 H 1 7.607 0.020 . 1 . . . . A 99 ASN HD21 . 34551 1 1038 . 1 . 1 99 99 ASN HD22 H 1 6.960 0.020 . 1 . . . . A 99 ASN HD22 . 34551 1 1039 . 1 . 1 99 99 ASN CA C 13 57.069 0.3 . 1 . . . . A 99 ASN CA . 34551 1 1040 . 1 . 1 99 99 ASN CB C 13 39.035 0.3 . 1 . . . . A 99 ASN CB . 34551 1 1041 . 1 . 1 99 99 ASN N N 15 121.439 0.3 . 1 . . . . A 99 ASN N . 34551 1 1042 . 1 . 1 99 99 ASN ND2 N 15 115.224 0.3 . 1 . . . . A 99 ASN ND2 . 34551 1 1043 . 1 . 1 100 100 ALA H H 1 8.396 0.020 . 1 . . . . A 100 ALA H . 34551 1 1044 . 1 . 1 100 100 ALA HA H 1 4.194 0.020 . 1 . . . . A 100 ALA HA . 34551 1 1045 . 1 . 1 100 100 ALA HB1 H 1 1.441 0.020 . 1 . . . . A 100 ALA HB1 . 34551 1 1046 . 1 . 1 100 100 ALA HB2 H 1 1.441 0.020 . 1 . . . . A 100 ALA HB2 . 34551 1 1047 . 1 . 1 100 100 ALA HB3 H 1 1.441 0.020 . 1 . . . . A 100 ALA HB3 . 34551 1 1048 . 1 . 1 100 100 ALA CA C 13 55.932 0.3 . 1 . . . . A 100 ALA CA . 34551 1 1049 . 1 . 1 100 100 ALA CB C 13 19.305 0.3 . 1 . . . . A 100 ALA CB . 34551 1 1050 . 1 . 1 100 100 ALA N N 15 123.811 0.3 . 1 . . . . A 100 ALA N . 34551 1 1051 . 1 . 1 101 101 LEU H H 1 8.922 0.020 . 1 . . . . A 101 LEU H . 34551 1 1052 . 1 . 1 101 101 LEU HA H 1 3.970 0.020 . 1 . . . . A 101 LEU HA . 34551 1 1053 . 1 . 1 101 101 LEU HB2 H 1 1.472 0.020 . 2 . . . . A 101 LEU HB2 . 34551 1 1054 . 1 . 1 101 101 LEU HB3 H 1 2.192 0.020 . 2 . . . . A 101 LEU HB3 . 34551 1 1055 . 1 . 1 101 101 LEU HG H 1 1.907 0.020 . 1 . . . . A 101 LEU HG . 34551 1 1056 . 1 . 1 101 101 LEU HD11 H 1 0.801 0.020 . 2 . . . . A 101 LEU HD11 . 34551 1 1057 . 1 . 1 101 101 LEU HD12 H 1 0.801 0.020 . 2 . . . . A 101 LEU HD12 . 34551 1 1058 . 1 . 1 101 101 LEU HD13 H 1 0.801 0.020 . 2 . . . . A 101 LEU HD13 . 34551 1 1059 . 1 . 1 101 101 LEU HD21 H 1 0.546 0.020 . 2 . . . . A 101 LEU HD21 . 34551 1 1060 . 1 . 1 101 101 LEU HD22 H 1 0.546 0.020 . 2 . . . . A 101 LEU HD22 . 34551 1 1061 . 1 . 1 101 101 LEU HD23 H 1 0.546 0.020 . 2 . . . . A 101 LEU HD23 . 34551 1 1062 . 1 . 1 101 101 LEU CA C 13 58.538 0.3 . 1 . . . . A 101 LEU CA . 34551 1 1063 . 1 . 1 101 101 LEU CB C 13 44.308 0.3 . 1 . . . . A 101 LEU CB . 34551 1 1064 . 1 . 1 101 101 LEU CG C 13 27.366 0.3 . 1 . . . . A 101 LEU CG . 34551 1 1065 . 1 . 1 101 101 LEU CD1 C 13 26.775 0.3 . 1 . . . . A 101 LEU CD1 . 34551 1 1066 . 1 . 1 101 101 LEU CD2 C 13 25.523 0.3 . 1 . . . . A 101 LEU CD2 . 34551 1 1067 . 1 . 1 101 101 LEU N N 15 120.784 0.3 . 1 . . . . A 101 LEU N . 34551 1 1068 . 1 . 1 102 102 ARG H H 1 8.293 0.020 . 1 . . . . A 102 ARG H . 34551 1 1069 . 1 . 1 102 102 ARG HA H 1 3.999 0.020 . 1 . . . . A 102 ARG HA . 34551 1 1070 . 1 . 1 102 102 ARG HB2 H 1 1.837 0.020 . 2 . . . . A 102 ARG HB2 . 34551 1 1071 . 1 . 1 102 102 ARG HB3 H 1 1.902 0.020 . 2 . . . . A 102 ARG HB3 . 34551 1 1072 . 1 . 1 102 102 ARG HG2 H 1 1.748 0.020 . 2 . . . . A 102 ARG HG2 . 34551 1 1073 . 1 . 1 102 102 ARG HG3 H 1 1.593 0.020 . 2 . . . . A 102 ARG HG3 . 34551 1 1074 . 1 . 1 102 102 ARG HD2 H 1 3.090 0.020 . 2 . . . . A 102 ARG HD2 . 34551 1 1075 . 1 . 1 102 102 ARG HD3 H 1 3.155 0.020 . 2 . . . . A 102 ARG HD3 . 34551 1 1076 . 1 . 1 102 102 ARG HE H 1 8.906 0.020 . 1 . . . . A 102 ARG HE . 34551 1 1077 . 1 . 1 102 102 ARG CA C 13 60.972 0.3 . 1 . . . . A 102 ARG CA . 34551 1 1078 . 1 . 1 102 102 ARG CB C 13 30.954 0.3 . 1 . . . . A 102 ARG CB . 34551 1 1079 . 1 . 1 102 102 ARG CG C 13 28.063 0.3 . 1 . . . . A 102 ARG CG . 34551 1 1080 . 1 . 1 102 102 ARG CD C 13 44.058 0.3 . 1 . . . . A 102 ARG CD . 34551 1 1081 . 1 . 1 102 102 ARG N N 15 120.488 0.3 . 1 . . . . A 102 ARG N . 34551 1 1082 . 1 . 1 102 102 ARG NE N 15 88.800 0.3 . 1 . . . . A 102 ARG NE . 34551 1 1083 . 1 . 1 103 103 ASN H H 1 8.245 0.020 . 1 . . . . A 103 ASN H . 34551 1 1084 . 1 . 1 103 103 ASN HA H 1 4.394 0.020 . 1 . . . . A 103 ASN HA . 34551 1 1085 . 1 . 1 103 103 ASN HB2 H 1 2.712 0.020 . 1 . . . . A 103 ASN HB2 . 34551 1 1086 . 1 . 1 103 103 ASN HB3 H 1 2.712 0.020 . 1 . . . . A 103 ASN HB3 . 34551 1 1087 . 1 . 1 103 103 ASN HD21 H 1 7.194 0.020 . 1 . . . . A 103 ASN HD21 . 34551 1 1088 . 1 . 1 103 103 ASN HD22 H 1 7.194 0.020 . 1 . . . . A 103 ASN HD22 . 34551 1 1089 . 1 . 1 103 103 ASN CA C 13 56.979 0.3 . 1 . . . . A 103 ASN CA . 34551 1 1090 . 1 . 1 103 103 ASN CB C 13 38.727 0.3 . 1 . . . . A 103 ASN CB . 34551 1 1091 . 1 . 1 103 103 ASN N N 15 117.713 0.3 . 1 . . . . A 103 ASN N . 34551 1 1092 . 1 . 1 103 103 ASN ND2 N 15 111.697 0.3 . 1 . . . . A 103 ASN ND2 . 34551 1 1093 . 1 . 1 104 104 ALA H H 1 7.991 0.020 . 1 . . . . A 104 ALA H . 34551 1 1094 . 1 . 1 104 104 ALA HA H 1 4.365 0.020 . 1 . . . . A 104 ALA HA . 34551 1 1095 . 1 . 1 104 104 ALA HB1 H 1 1.442 0.020 . 1 . . . . A 104 ALA HB1 . 34551 1 1096 . 1 . 1 104 104 ALA HB2 H 1 1.442 0.020 . 1 . . . . A 104 ALA HB2 . 34551 1 1097 . 1 . 1 104 104 ALA HB3 H 1 1.442 0.020 . 1 . . . . A 104 ALA HB3 . 34551 1 1098 . 1 . 1 104 104 ALA CA C 13 55.720 0.3 . 1 . . . . A 104 ALA CA . 34551 1 1099 . 1 . 1 104 104 ALA CB C 13 19.598 0.3 . 1 . . . . A 104 ALA CB . 34551 1 1100 . 1 . 1 104 104 ALA N N 15 124.277 0.3 . 1 . . . . A 104 ALA N . 34551 1 1101 . 1 . 1 105 105 LEU H H 1 9.108 0.020 . 1 . . . . A 105 LEU H . 34551 1 1102 . 1 . 1 105 105 LEU HA H 1 3.959 0.020 . 1 . . . . A 105 LEU HA . 34551 1 1103 . 1 . 1 105 105 LEU HB2 H 1 1.995 0.020 . 2 . . . . A 105 LEU HB2 . 34551 1 1104 . 1 . 1 105 105 LEU HB3 H 1 1.480 0.020 . 2 . . . . A 105 LEU HB3 . 34551 1 1105 . 1 . 1 105 105 LEU HG H 1 1.732 0.020 . 1 . . . . A 105 LEU HG . 34551 1 1106 . 1 . 1 105 105 LEU HD11 H 1 0.798 0.020 . 2 . . . . A 105 LEU HD11 . 34551 1 1107 . 1 . 1 105 105 LEU HD12 H 1 0.798 0.020 . 2 . . . . A 105 LEU HD12 . 34551 1 1108 . 1 . 1 105 105 LEU HD13 H 1 0.798 0.020 . 2 . . . . A 105 LEU HD13 . 34551 1 1109 . 1 . 1 105 105 LEU HD21 H 1 0.272 0.020 . 2 . . . . A 105 LEU HD21 . 34551 1 1110 . 1 . 1 105 105 LEU HD22 H 1 0.272 0.020 . 2 . . . . A 105 LEU HD22 . 34551 1 1111 . 1 . 1 105 105 LEU HD23 H 1 0.272 0.020 . 2 . . . . A 105 LEU HD23 . 34551 1 1112 . 1 . 1 105 105 LEU CA C 13 59.538 0.3 . 1 . . . . A 105 LEU CA . 34551 1 1113 . 1 . 1 105 105 LEU CB C 13 41.003 0.3 . 1 . . . . A 105 LEU CB . 34551 1 1114 . 1 . 1 105 105 LEU CG C 13 28.284 0.3 . 1 . . . . A 105 LEU CG . 34551 1 1115 . 1 . 1 105 105 LEU CD1 C 13 26.729 0.3 . 1 . . . . A 105 LEU CD1 . 34551 1 1116 . 1 . 1 105 105 LEU CD2 C 13 23.663 0.3 . 1 . . . . A 105 LEU CD2 . 34551 1 1117 . 1 . 1 105 105 LEU N N 15 123.470 0.3 . 1 . . . . A 105 LEU N . 34551 1 1118 . 1 . 1 106 106 MET H H 1 8.530 0.020 . 1 . . . . A 106 MET H . 34551 1 1119 . 1 . 1 106 106 MET HA H 1 3.885 0.020 . 1 . . . . A 106 MET HA . 34551 1 1120 . 1 . 1 106 106 MET HB2 H 1 2.092 0.020 . 2 . . . . A 106 MET HB2 . 34551 1 1121 . 1 . 1 106 106 MET HB3 H 1 1.966 0.020 . 2 . . . . A 106 MET HB3 . 34551 1 1122 . 1 . 1 106 106 MET HG2 H 1 2.395 0.020 . 2 . . . . A 106 MET HG2 . 34551 1 1123 . 1 . 1 106 106 MET HG3 H 1 2.434 0.020 . 2 . . . . A 106 MET HG3 . 34551 1 1124 . 1 . 1 106 106 MET HE1 H 1 1.927 0.020 . 1 . . . . A 106 MET HE1 . 34551 1 1125 . 1 . 1 106 106 MET HE2 H 1 1.927 0.020 . 1 . . . . A 106 MET HE2 . 34551 1 1126 . 1 . 1 106 106 MET HE3 H 1 1.927 0.020 . 1 . . . . A 106 MET HE3 . 34551 1 1127 . 1 . 1 106 106 MET CA C 13 59.180 0.3 . 1 . . . . A 106 MET CA . 34551 1 1128 . 1 . 1 106 106 MET CB C 13 32.335 0.3 . 1 . . . . A 106 MET CB . 34551 1 1129 . 1 . 1 106 106 MET CG C 13 32.757 0.3 . 1 . . . . A 106 MET CG . 34551 1 1130 . 1 . 1 106 106 MET CE C 13 17.626 0.3 . 1 . . . . A 106 MET CE . 34551 1 1131 . 1 . 1 106 106 MET N N 15 124.820 0.3 . 1 . . . . A 106 MET N . 34551 1 1132 . 1 . 1 107 107 SER H H 1 8.296 0.020 . 1 . . . . A 107 SER H . 34551 1 1133 . 1 . 1 107 107 SER HA H 1 4.123 0.020 . 1 . . . . A 107 SER HA . 34551 1 1134 . 1 . 1 107 107 SER HB2 H 1 3.944 0.020 . 2 . . . . A 107 SER HB2 . 34551 1 1135 . 1 . 1 107 107 SER HB3 H 1 3.903 0.020 . 2 . . . . A 107 SER HB3 . 34551 1 1136 . 1 . 1 107 107 SER CA C 13 62.411 0.3 . 1 . . . . A 107 SER CA . 34551 1 1137 . 1 . 1 107 107 SER CB C 13 63.875 0.3 . 1 . . . . A 107 SER CB . 34551 1 1138 . 1 . 1 107 107 SER N N 15 115.346 0.3 . 1 . . . . A 107 SER N . 34551 1 1139 . 1 . 1 108 108 THR H H 1 7.544 0.020 . 1 . . . . A 108 THR H . 34551 1 1140 . 1 . 1 108 108 THR HA H 1 4.352 0.020 . 1 . . . . A 108 THR HA . 34551 1 1141 . 1 . 1 108 108 THR HB H 1 4.110 0.020 . 1 . . . . A 108 THR HB . 34551 1 1142 . 1 . 1 108 108 THR HG21 H 1 1.229 0.020 . 1 . . . . A 108 THR HG21 . 34551 1 1143 . 1 . 1 108 108 THR HG22 H 1 1.229 0.020 . 1 . . . . A 108 THR HG22 . 34551 1 1144 . 1 . 1 108 108 THR HG23 H 1 1.229 0.020 . 1 . . . . A 108 THR HG23 . 34551 1 1145 . 1 . 1 108 108 THR CA C 13 64.762 0.3 . 1 . . . . A 108 THR CA . 34551 1 1146 . 1 . 1 108 108 THR CB C 13 71.222 0.3 . 1 . . . . A 108 THR CB . 34551 1 1147 . 1 . 1 108 108 THR CG2 C 13 22.790 0.3 . 1 . . . . A 108 THR CG2 . 34551 1 1148 . 1 . 1 108 108 THR N N 15 110.460 0.3 . 1 . . . . A 108 THR N . 34551 1 1149 . 1 . 1 109 109 THR H H 1 8.163 0.020 . 1 . . . . A 109 THR H . 34551 1 1150 . 1 . 1 109 109 THR HA H 1 4.681 0.020 . 1 . . . . A 109 THR HA . 34551 1 1151 . 1 . 1 109 109 THR HB H 1 4.241 0.020 . 1 . . . . A 109 THR HB . 34551 1 1152 . 1 . 1 109 109 THR HG21 H 1 1.017 0.020 . 1 . . . . A 109 THR HG21 . 34551 1 1153 . 1 . 1 109 109 THR HG22 H 1 1.017 0.020 . 1 . . . . A 109 THR HG22 . 34551 1 1154 . 1 . 1 109 109 THR HG23 H 1 1.017 0.020 . 1 . . . . A 109 THR HG23 . 34551 1 1155 . 1 . 1 109 109 THR CA C 13 62.606 0.3 . 1 . . . . A 109 THR CA . 34551 1 1156 . 1 . 1 109 109 THR CB C 13 72.578 0.3 . 1 . . . . A 109 THR CB . 34551 1 1157 . 1 . 1 109 109 THR CG2 C 13 21.718 0.3 . 1 . . . . A 109 THR CG2 . 34551 1 1158 . 1 . 1 109 109 THR N N 15 111.837 0.3 . 1 . . . . A 109 THR N . 34551 1 1159 . 1 . 1 110 110 GLY H H 1 7.730 0.020 . 1 . . . . A 110 GLY H . 34551 1 1160 . 1 . 1 110 110 GLY HA2 H 1 4.218 0.020 . 2 . . . . A 110 GLY HA2 . 34551 1 1161 . 1 . 1 110 110 GLY HA3 H 1 3.801 0.020 . 2 . . . . A 110 GLY HA3 . 34551 1 1162 . 1 . 1 110 110 GLY CA C 13 46.441 0.3 . 1 . . . . A 110 GLY CA . 34551 1 1163 . 1 . 1 110 110 GLY N N 15 112.145 0.3 . 1 . . . . A 110 GLY N . 34551 1 1164 . 1 . 1 111 111 SER H H 1 7.816 0.020 . 1 . . . . A 111 SER H . 34551 1 1165 . 1 . 1 111 111 SER HA H 1 4.957 0.020 . 1 . . . . A 111 SER HA . 34551 1 1166 . 1 . 1 111 111 SER HB2 H 1 3.573 0.020 . 2 . . . . A 111 SER HB2 . 34551 1 1167 . 1 . 1 111 111 SER HB3 H 1 3.661 0.020 . 2 . . . . A 111 SER HB3 . 34551 1 1168 . 1 . 1 111 111 SER CA C 13 55.500 0.3 . 1 . . . . A 111 SER CA . 34551 1 1169 . 1 . 1 111 111 SER CB C 13 65.885 0.3 . 1 . . . . A 111 SER CB . 34551 1 1170 . 1 . 1 111 111 SER N N 15 117.187 0.3 . 1 . . . . A 111 SER N . 34551 1 1171 . 1 . 1 112 112 PRO HA H 1 4.352 0.020 . 1 . . . . A 112 PRO HA . 34551 1 1172 . 1 . 1 112 112 PRO HB2 H 1 1.962 0.020 . 2 . . . . A 112 PRO HB2 . 34551 1 1173 . 1 . 1 112 112 PRO HB3 H 1 2.193 0.020 . 2 . . . . A 112 PRO HB3 . 34551 1 1174 . 1 . 1 112 112 PRO HG2 H 1 1.989 0.020 . 1 . . . . A 112 PRO HG2 . 34551 1 1175 . 1 . 1 112 112 PRO HG3 H 1 1.989 0.020 . 1 . . . . A 112 PRO HG3 . 34551 1 1176 . 1 . 1 112 112 PRO HD2 H 1 3.796 0.020 . 2 . . . . A 112 PRO HD2 . 34551 1 1177 . 1 . 1 112 112 PRO HD3 H 1 3.683 0.020 . 2 . . . . A 112 PRO HD3 . 34551 1 1178 . 1 . 1 112 112 PRO CA C 13 64.273 0.3 . 1 . . . . A 112 PRO CA . 34551 1 1179 . 1 . 1 112 112 PRO CB C 13 32.880 0.3 . 1 . . . . A 112 PRO CB . 34551 1 1180 . 1 . 1 112 112 PRO CG C 13 27.694 0.3 . 1 . . . . A 112 PRO CG . 34551 1 1181 . 1 . 1 112 112 PRO CD C 13 51.350 0.3 . 1 . . . . A 112 PRO CD . 34551 1 1182 . 1 . 1 113 113 ASN H H 1 8.300 0.020 . 1 . . . . A 113 ASN H . 34551 1 1183 . 1 . 1 113 113 ASN HA H 1 4.122 0.020 . 1 . . . . A 113 ASN HA . 34551 1 1184 . 1 . 1 113 113 ASN HB2 H 1 3.082 0.020 . 2 . . . . A 113 ASN HB2 . 34551 1 1185 . 1 . 1 113 113 ASN HB3 H 1 2.409 0.020 . 2 . . . . A 113 ASN HB3 . 34551 1 1186 . 1 . 1 113 113 ASN HD21 H 1 7.412 0.020 . 1 . . . . A 113 ASN HD21 . 34551 1 1187 . 1 . 1 113 113 ASN HD22 H 1 6.943 0.020 . 1 . . . . A 113 ASN HD22 . 34551 1 1188 . 1 . 1 113 113 ASN CA C 13 54.248 0.3 . 1 . . . . A 113 ASN CA . 34551 1 1189 . 1 . 1 113 113 ASN CB C 13 39.632 0.3 . 1 . . . . A 113 ASN CB . 34551 1 1190 . 1 . 1 113 113 ASN N N 15 115.399 0.3 . 1 . . . . A 113 ASN N . 34551 1 1191 . 1 . 1 113 113 ASN ND2 N 15 114.437 0.3 . 1 . . . . A 113 ASN ND2 . 34551 1 1192 . 1 . 1 114 114 GLU H H 1 8.484 0.020 . 1 . . . . A 114 GLU H . 34551 1 1193 . 1 . 1 114 114 GLU HA H 1 3.802 0.020 . 1 . . . . A 114 GLU HA . 34551 1 1194 . 1 . 1 114 114 GLU HB2 H 1 1.860 0.020 . 2 . . . . A 114 GLU HB2 . 34551 1 1195 . 1 . 1 114 114 GLU HB3 H 1 1.803 0.020 . 2 . . . . A 114 GLU HB3 . 34551 1 1196 . 1 . 1 114 114 GLU HG2 H 1 2.280 0.020 . 2 . . . . A 114 GLU HG2 . 34551 1 1197 . 1 . 1 114 114 GLU HG3 H 1 2.171 0.020 . 2 . . . . A 114 GLU HG3 . 34551 1 1198 . 1 . 1 114 114 GLU CA C 13 59.244 0.3 . 1 . . . . A 114 GLU CA . 34551 1 1199 . 1 . 1 114 114 GLU CB C 13 29.965 0.3 . 1 . . . . A 114 GLU CB . 34551 1 1200 . 1 . 1 114 114 GLU CG C 13 36.505 0.3 . 1 . . . . A 114 GLU CG . 34551 1 1201 . 1 . 1 114 114 GLU N N 15 120.604 0.3 . 1 . . . . A 114 GLU N . 34551 1 1202 . 1 . 1 115 115 GLU H H 1 8.719 0.020 . 1 . . . . A 115 GLU H . 34551 1 1203 . 1 . 1 115 115 GLU HA H 1 4.040 0.020 . 1 . . . . A 115 GLU HA . 34551 1 1204 . 1 . 1 115 115 GLU HB2 H 1 1.994 0.020 . 2 . . . . A 115 GLU HB2 . 34551 1 1205 . 1 . 1 115 115 GLU HB3 H 1 1.848 0.020 . 2 . . . . A 115 GLU HB3 . 34551 1 1206 . 1 . 1 115 115 GLU HG2 H 1 2.265 0.020 . 1 . . . . A 115 GLU HG2 . 34551 1 1207 . 1 . 1 115 115 GLU HG3 H 1 2.265 0.020 . 1 . . . . A 115 GLU HG3 . 34551 1 1208 . 1 . 1 115 115 GLU CA C 13 60.527 0.3 . 1 . . . . A 115 GLU CA . 34551 1 1209 . 1 . 1 115 115 GLU CB C 13 29.336 0.3 . 1 . . . . A 115 GLU CB . 34551 1 1210 . 1 . 1 115 115 GLU CG C 13 36.592 0.3 . 1 . . . . A 115 GLU CG . 34551 1 1211 . 1 . 1 115 115 GLU N N 15 120.305 0.3 . 1 . . . . A 115 GLU N . 34551 1 1212 . 1 . 1 116 116 PHE H H 1 7.715 0.020 . 1 . . . . A 116 PHE H . 34551 1 1213 . 1 . 1 116 116 PHE HA H 1 3.985 0.020 . 1 . . . . A 116 PHE HA . 34551 1 1214 . 1 . 1 116 116 PHE HB2 H 1 3.012 0.020 . 2 . . . . A 116 PHE HB2 . 34551 1 1215 . 1 . 1 116 116 PHE HB3 H 1 2.869 0.020 . 2 . . . . A 116 PHE HB3 . 34551 1 1216 . 1 . 1 116 116 PHE HD1 H 1 6.953 0.020 . 1 . . . . A 116 PHE HD1 . 34551 1 1217 . 1 . 1 116 116 PHE HD2 H 1 6.953 0.020 . 1 . . . . A 116 PHE HD2 . 34551 1 1218 . 1 . 1 116 116 PHE HE1 H 1 6.793 0.020 . 1 . . . . A 116 PHE HE1 . 34551 1 1219 . 1 . 1 116 116 PHE HE2 H 1 6.793 0.020 . 1 . . . . A 116 PHE HE2 . 34551 1 1220 . 1 . 1 116 116 PHE HZ H 1 6.603 0.020 . 1 . . . . A 116 PHE HZ . 34551 1 1221 . 1 . 1 116 116 PHE CA C 13 62.227 0.3 . 1 . . . . A 116 PHE CA . 34551 1 1222 . 1 . 1 116 116 PHE CB C 13 40.271 0.3 . 1 . . . . A 116 PHE CB . 34551 1 1223 . 1 . 1 116 116 PHE CD1 C 13 131.318 0.3 . 1 . . . . A 116 PHE CD1 . 34551 1 1224 . 1 . 1 116 116 PHE CE1 C 13 129.651 0.3 . 1 . . . . A 116 PHE CE1 . 34551 1 1225 . 1 . 1 116 116 PHE CZ C 13 128.046 0.3 . 1 . . . . A 116 PHE CZ . 34551 1 1226 . 1 . 1 116 116 PHE N N 15 122.753 0.3 . 1 . . . . A 116 PHE N . 34551 1 1227 . 1 . 1 117 117 VAL H H 1 7.506 0.020 . 1 . . . . A 117 VAL H . 34551 1 1228 . 1 . 1 117 117 VAL HA H 1 3.124 0.020 . 1 . . . . A 117 VAL HA . 34551 1 1229 . 1 . 1 117 117 VAL HB H 1 2.051 0.020 . 1 . . . . A 117 VAL HB . 34551 1 1230 . 1 . 1 117 117 VAL HG11 H 1 0.842 0.020 . 2 . . . . A 117 VAL HG11 . 34551 1 1231 . 1 . 1 117 117 VAL HG12 H 1 0.842 0.020 . 2 . . . . A 117 VAL HG12 . 34551 1 1232 . 1 . 1 117 117 VAL HG13 H 1 0.842 0.020 . 2 . . . . A 117 VAL HG13 . 34551 1 1233 . 1 . 1 117 117 VAL HG21 H 1 0.997 0.020 . 2 . . . . A 117 VAL HG21 . 34551 1 1234 . 1 . 1 117 117 VAL HG22 H 1 0.997 0.020 . 2 . . . . A 117 VAL HG22 . 34551 1 1235 . 1 . 1 117 117 VAL HG23 H 1 0.997 0.020 . 2 . . . . A 117 VAL HG23 . 34551 1 1236 . 1 . 1 117 117 VAL CA C 13 68.045 0.3 . 1 . . . . A 117 VAL CA . 34551 1 1237 . 1 . 1 117 117 VAL CB C 13 32.035 0.3 . 1 . . . . A 117 VAL CB . 34551 1 1238 . 1 . 1 117 117 VAL CG1 C 13 22.052 0.3 . 1 . . . . A 117 VAL CG1 . 34551 1 1239 . 1 . 1 117 117 VAL CG2 C 13 23.638 0.3 . 1 . . . . A 117 VAL CG2 . 34551 1 1240 . 1 . 1 117 117 VAL N N 15 119.587 0.3 . 1 . . . . A 117 VAL N . 34551 1 1241 . 1 . 1 118 118 HIS H H 1 8.813 0.020 . 1 . . . . A 118 HIS H . 34551 1 1242 . 1 . 1 118 118 HIS HA H 1 4.132 0.020 . 1 . . . . A 118 HIS HA . 34551 1 1243 . 1 . 1 118 118 HIS HB2 H 1 3.261 0.020 . 1 . . . . A 118 HIS HB2 . 34551 1 1244 . 1 . 1 118 118 HIS HB3 H 1 3.261 0.020 . 1 . . . . A 118 HIS HB3 . 34551 1 1245 . 1 . 1 118 118 HIS HD2 H 1 7.225 0.020 . 1 . . . . A 118 HIS HD2 . 34551 1 1246 . 1 . 1 118 118 HIS HE1 H 1 8.506 0.020 . 1 . . . . A 118 HIS HE1 . 34551 1 1247 . 1 . 1 118 118 HIS CA C 13 58.963 0.3 . 1 . . . . A 118 HIS CA . 34551 1 1248 . 1 . 1 118 118 HIS CB C 13 28.664 0.3 . 1 . . . . A 118 HIS CB . 34551 1 1249 . 1 . 1 118 118 HIS CD2 C 13 120.237 0.3 . 1 . . . . A 118 HIS CD2 . 34551 1 1250 . 1 . 1 118 118 HIS CE1 C 13 136.436 0.3 . 1 . . . . A 118 HIS CE1 . 34551 1 1251 . 1 . 1 118 118 HIS N N 15 119.080 0.3 . 1 . . . . A 118 HIS N . 34551 1 1252 . 1 . 1 119 119 GLU H H 1 7.814 0.020 . 1 . . . . A 119 GLU H . 34551 1 1253 . 1 . 1 119 119 GLU HA H 1 3.777 0.020 . 1 . . . . A 119 GLU HA . 34551 1 1254 . 1 . 1 119 119 GLU HB2 H 1 2.153 0.020 . 2 . . . . A 119 GLU HB2 . 34551 1 1255 . 1 . 1 119 119 GLU HB3 H 1 1.841 0.020 . 2 . . . . A 119 GLU HB3 . 34551 1 1256 . 1 . 1 119 119 GLU HG2 H 1 2.240 0.020 . 2 . . . . A 119 GLU HG2 . 34551 1 1257 . 1 . 1 119 119 GLU HG3 H 1 2.382 0.020 . 2 . . . . A 119 GLU HG3 . 34551 1 1258 . 1 . 1 119 119 GLU CA C 13 60.138 0.3 . 1 . . . . A 119 GLU CA . 34551 1 1259 . 1 . 1 119 119 GLU CB C 13 29.583 0.3 . 1 . . . . A 119 GLU CB . 34551 1 1260 . 1 . 1 119 119 GLU CG C 13 33.906 0.3 . 1 . . . . A 119 GLU CG . 34551 1 1261 . 1 . 1 119 119 GLU N N 15 121.476 0.3 . 1 . . . . A 119 GLU N . 34551 1 1262 . 1 . 1 120 120 VAL H H 1 7.598 0.020 . 1 . . . . A 120 VAL H . 34551 1 1263 . 1 . 1 120 120 VAL HA H 1 3.160 0.020 . 1 . . . . A 120 VAL HA . 34551 1 1264 . 1 . 1 120 120 VAL HB H 1 2.015 0.020 . 1 . . . . A 120 VAL HB . 34551 1 1265 . 1 . 1 120 120 VAL HG11 H 1 0.677 0.020 . 2 . . . . A 120 VAL HG11 . 34551 1 1266 . 1 . 1 120 120 VAL HG12 H 1 0.677 0.020 . 2 . . . . A 120 VAL HG12 . 34551 1 1267 . 1 . 1 120 120 VAL HG13 H 1 0.677 0.020 . 2 . . . . A 120 VAL HG13 . 34551 1 1268 . 1 . 1 120 120 VAL HG21 H 1 0.502 0.020 . 2 . . . . A 120 VAL HG21 . 34551 1 1269 . 1 . 1 120 120 VAL HG22 H 1 0.502 0.020 . 2 . . . . A 120 VAL HG22 . 34551 1 1270 . 1 . 1 120 120 VAL HG23 H 1 0.502 0.020 . 2 . . . . A 120 VAL HG23 . 34551 1 1271 . 1 . 1 120 120 VAL CA C 13 68.106 0.3 . 1 . . . . A 120 VAL CA . 34551 1 1272 . 1 . 1 120 120 VAL CB C 13 31.834 0.3 . 1 . . . . A 120 VAL CB . 34551 1 1273 . 1 . 1 120 120 VAL CG1 C 13 21.496 0.3 . 1 . . . . A 120 VAL CG1 . 34551 1 1274 . 1 . 1 120 120 VAL CG2 C 13 23.342 0.3 . 1 . . . . A 120 VAL CG2 . 34551 1 1275 . 1 . 1 120 120 VAL N N 15 119.709 0.3 . 1 . . . . A 120 VAL N . 34551 1 1276 . 1 . 1 121 121 GLN H H 1 8.021 0.020 . 1 . . . . A 121 GLN H . 34551 1 1277 . 1 . 1 121 121 GLN HA H 1 3.634 0.020 . 1 . . . . A 121 GLN HA . 34551 1 1278 . 1 . 1 121 121 GLN HB2 H 1 1.853 0.020 . 2 . . . . A 121 GLN HB2 . 34551 1 1279 . 1 . 1 121 121 GLN HB3 H 1 2.219 0.020 . 2 . . . . A 121 GLN HB3 . 34551 1 1280 . 1 . 1 121 121 GLN HG2 H 1 1.900 0.020 . 2 . . . . A 121 GLN HG2 . 34551 1 1281 . 1 . 1 121 121 GLN HG3 H 1 2.529 0.020 . 2 . . . . A 121 GLN HG3 . 34551 1 1282 . 1 . 1 121 121 GLN HE21 H 1 6.603 0.020 . 1 . . . . A 121 GLN HE21 . 34551 1 1283 . 1 . 1 121 121 GLN HE22 H 1 7.289 0.020 . 1 . . . . A 121 GLN HE22 . 34551 1 1284 . 1 . 1 121 121 GLN CA C 13 60.543 0.3 . 1 . . . . A 121 GLN CA . 34551 1 1285 . 1 . 1 121 121 GLN CB C 13 28.074 0.3 . 1 . . . . A 121 GLN CB . 34551 1 1286 . 1 . 1 121 121 GLN CG C 13 34.272 0.3 . 1 . . . . A 121 GLN CG . 34551 1 1287 . 1 . 1 121 121 GLN N N 15 119.342 0.3 . 1 . . . . A 121 GLN N . 34551 1 1288 . 1 . 1 121 121 GLN NE2 N 15 110.177 0.3 . 1 . . . . A 121 GLN NE2 . 34551 1 1289 . 1 . 1 122 122 ASP H H 1 8.674 0.020 . 1 . . . . A 122 ASP H . 34551 1 1290 . 1 . 1 122 122 ASP HA H 1 4.185 0.020 . 1 . . . . A 122 ASP HA . 34551 1 1291 . 1 . 1 122 122 ASP HB2 H 1 2.752 0.020 . 2 . . . . A 122 ASP HB2 . 34551 1 1292 . 1 . 1 122 122 ASP HB3 H 1 2.697 0.020 . 2 . . . . A 122 ASP HB3 . 34551 1 1293 . 1 . 1 122 122 ASP CA C 13 57.092 0.3 . 1 . . . . A 122 ASP CA . 34551 1 1294 . 1 . 1 122 122 ASP CB C 13 38.919 0.3 . 1 . . . . A 122 ASP CB . 34551 1 1295 . 1 . 1 122 122 ASP N N 15 122.322 0.3 . 1 . . . . A 122 ASP N . 34551 1 1296 . 1 . 1 123 123 LEU H H 1 8.311 0.020 . 1 . . . . A 123 LEU H . 34551 1 1297 . 1 . 1 123 123 LEU HA H 1 3.845 0.020 . 1 . . . . A 123 LEU HA . 34551 1 1298 . 1 . 1 123 123 LEU HB2 H 1 0.933 0.020 . 2 . . . . A 123 LEU HB2 . 34551 1 1299 . 1 . 1 123 123 LEU HB3 H 1 1.903 0.020 . 2 . . . . A 123 LEU HB3 . 34551 1 1300 . 1 . 1 123 123 LEU HG H 1 1.419 0.020 . 1 . . . . A 123 LEU HG . 34551 1 1301 . 1 . 1 123 123 LEU HD11 H 1 0.664 0.020 . 2 . . . . A 123 LEU HD11 . 34551 1 1302 . 1 . 1 123 123 LEU HD12 H 1 0.664 0.020 . 2 . . . . A 123 LEU HD12 . 34551 1 1303 . 1 . 1 123 123 LEU HD13 H 1 0.664 0.020 . 2 . . . . A 123 LEU HD13 . 34551 1 1304 . 1 . 1 123 123 LEU HD21 H 1 0.535 0.020 . 2 . . . . A 123 LEU HD21 . 34551 1 1305 . 1 . 1 123 123 LEU HD22 H 1 0.535 0.020 . 2 . . . . A 123 LEU HD22 . 34551 1 1306 . 1 . 1 123 123 LEU HD23 H 1 0.535 0.020 . 2 . . . . A 123 LEU HD23 . 34551 1 1307 . 1 . 1 123 123 LEU CA C 13 59.362 0.3 . 1 . . . . A 123 LEU CA . 34551 1 1308 . 1 . 1 123 123 LEU CB C 13 42.519 0.3 . 1 . . . . A 123 LEU CB . 34551 1 1309 . 1 . 1 123 123 LEU CG C 13 28.912 0.3 . 1 . . . . A 123 LEU CG . 34551 1 1310 . 1 . 1 123 123 LEU CD1 C 13 24.282 0.3 . 1 . . . . A 123 LEU CD1 . 34551 1 1311 . 1 . 1 123 123 LEU CD2 C 13 26.773 0.3 . 1 . . . . A 123 LEU CD2 . 34551 1 1312 . 1 . 1 123 123 LEU N N 15 124.556 0.3 . 1 . . . . A 123 LEU N . 34551 1 1313 . 1 . 1 124 124 ILE H H 1 8.526 0.020 . 1 . . . . A 124 ILE H . 34551 1 1314 . 1 . 1 124 124 ILE HA H 1 3.387 0.020 . 1 . . . . A 124 ILE HA . 34551 1 1315 . 1 . 1 124 124 ILE HB H 1 1.795 0.020 . 1 . . . . A 124 ILE HB . 34551 1 1316 . 1 . 1 124 124 ILE HG12 H 1 1.811 0.020 . 2 . . . . A 124 ILE HG12 . 34551 1 1317 . 1 . 1 124 124 ILE HG13 H 1 1.310 0.020 . 2 . . . . A 124 ILE HG13 . 34551 1 1318 . 1 . 1 124 124 ILE HG21 H 1 0.704 0.020 . 1 . . . . A 124 ILE HG21 . 34551 1 1319 . 1 . 1 124 124 ILE HG22 H 1 0.704 0.020 . 1 . . . . A 124 ILE HG22 . 34551 1 1320 . 1 . 1 124 124 ILE HG23 H 1 0.704 0.020 . 1 . . . . A 124 ILE HG23 . 34551 1 1321 . 1 . 1 124 124 ILE HD11 H 1 0.887 0.020 . 1 . . . . A 124 ILE HD11 . 34551 1 1322 . 1 . 1 124 124 ILE HD12 H 1 0.887 0.020 . 1 . . . . A 124 ILE HD12 . 34551 1 1323 . 1 . 1 124 124 ILE HD13 H 1 0.887 0.020 . 1 . . . . A 124 ILE HD13 . 34551 1 1324 . 1 . 1 124 124 ILE CA C 13 66.992 0.3 . 1 . . . . A 124 ILE CA . 34551 1 1325 . 1 . 1 124 124 ILE CB C 13 38.951 0.3 . 1 . . . . A 124 ILE CB . 34551 1 1326 . 1 . 1 124 124 ILE CG1 C 13 30.116 0.3 . 1 . . . . A 124 ILE CG1 . 34551 1 1327 . 1 . 1 124 124 ILE CG2 C 13 17.502 0.3 . 1 . . . . A 124 ILE CG2 . 34551 1 1328 . 1 . 1 124 124 ILE CD1 C 13 16.606 0.3 . 1 . . . . A 124 ILE CD1 . 34551 1 1329 . 1 . 1 124 124 ILE N N 15 123.375 0.3 . 1 . . . . A 124 ILE N . 34551 1 1330 . 1 . 1 125 125 GLN H H 1 7.416 0.020 . 1 . . . . A 125 GLN H . 34551 1 1331 . 1 . 1 125 125 GLN HA H 1 3.872 0.020 . 1 . . . . A 125 GLN HA . 34551 1 1332 . 1 . 1 125 125 GLN HB2 H 1 1.996 0.020 . 2 . . . . A 125 GLN HB2 . 34551 1 1333 . 1 . 1 125 125 GLN HB3 H 1 2.062 0.020 . 2 . . . . A 125 GLN HB3 . 34551 1 1334 . 1 . 1 125 125 GLN HG2 H 1 2.230 0.020 . 2 . . . . A 125 GLN HG2 . 34551 1 1335 . 1 . 1 125 125 GLN HG3 H 1 2.306 0.020 . 2 . . . . A 125 GLN HG3 . 34551 1 1336 . 1 . 1 125 125 GLN HE21 H 1 7.327 0.020 . 1 . . . . A 125 GLN HE21 . 34551 1 1337 . 1 . 1 125 125 GLN HE22 H 1 6.729 0.020 . 1 . . . . A 125 GLN HE22 . 34551 1 1338 . 1 . 1 125 125 GLN CA C 13 59.685 0.3 . 1 . . . . A 125 GLN CA . 34551 1 1339 . 1 . 1 125 125 GLN CB C 13 28.774 0.3 . 1 . . . . A 125 GLN CB . 34551 1 1340 . 1 . 1 125 125 GLN CG C 13 34.520 0.3 . 1 . . . . A 125 GLN CG . 34551 1 1341 . 1 . 1 125 125 GLN N N 15 119.189 0.3 . 1 . . . . A 125 GLN N . 34551 1 1342 . 1 . 1 125 125 GLN NE2 N 15 113.780 0.3 . 1 . . . . A 125 GLN NE2 . 34551 1 1343 . 1 . 1 126 126 MET H H 1 7.793 0.020 . 1 . . . . A 126 MET H . 34551 1 1344 . 1 . 1 126 126 MET HA H 1 4.090 0.020 . 1 . . . . A 126 MET HA . 34551 1 1345 . 1 . 1 126 126 MET HB2 H 1 1.821 0.020 . 2 . . . . A 126 MET HB2 . 34551 1 1346 . 1 . 1 126 126 MET HB3 H 1 2.283 0.020 . 2 . . . . A 126 MET HB3 . 34551 1 1347 . 1 . 1 126 126 MET HG2 H 1 2.463 0.020 . 2 . . . . A 126 MET HG2 . 34551 1 1348 . 1 . 1 126 126 MET HG3 H 1 2.635 0.020 . 2 . . . . A 126 MET HG3 . 34551 1 1349 . 1 . 1 126 126 MET HE1 H 1 1.780 0.020 . 1 . . . . A 126 MET HE1 . 34551 1 1350 . 1 . 1 126 126 MET HE2 H 1 1.780 0.020 . 1 . . . . A 126 MET HE2 . 34551 1 1351 . 1 . 1 126 126 MET HE3 H 1 1.780 0.020 . 1 . . . . A 126 MET HE3 . 34551 1 1352 . 1 . 1 126 126 MET CA C 13 59.617 0.3 . 1 . . . . A 126 MET CA . 34551 1 1353 . 1 . 1 126 126 MET CB C 13 33.646 0.3 . 1 . . . . A 126 MET CB . 34551 1 1354 . 1 . 1 126 126 MET CG C 13 32.691 0.3 . 1 . . . . A 126 MET CG . 34551 1 1355 . 1 . 1 126 126 MET CE C 13 19.066 0.3 . 1 . . . . A 126 MET CE . 34551 1 1356 . 1 . 1 126 126 MET N N 15 120.783 0.3 . 1 . . . . A 126 MET N . 34551 1 1357 . 1 . 1 127 127 LEU H H 1 9.174 0.020 . 1 . . . . A 127 LEU H . 34551 1 1358 . 1 . 1 127 127 LEU HA H 1 3.790 0.020 . 1 . . . . A 127 LEU HA . 34551 1 1359 . 1 . 1 127 127 LEU HB2 H 1 1.908 0.020 . 2 . . . . A 127 LEU HB2 . 34551 1 1360 . 1 . 1 127 127 LEU HB3 H 1 1.842 0.020 . 2 . . . . A 127 LEU HB3 . 34551 1 1361 . 1 . 1 127 127 LEU HG H 1 1.820 0.020 . 1 . . . . A 127 LEU HG . 34551 1 1362 . 1 . 1 127 127 LEU HD11 H 1 0.787 0.020 . 2 . . . . A 127 LEU HD11 . 34551 1 1363 . 1 . 1 127 127 LEU HD12 H 1 0.787 0.020 . 2 . . . . A 127 LEU HD12 . 34551 1 1364 . 1 . 1 127 127 LEU HD13 H 1 0.787 0.020 . 2 . . . . A 127 LEU HD13 . 34551 1 1365 . 1 . 1 127 127 LEU HD21 H 1 0.687 0.020 . 2 . . . . A 127 LEU HD21 . 34551 1 1366 . 1 . 1 127 127 LEU HD22 H 1 0.687 0.020 . 2 . . . . A 127 LEU HD22 . 34551 1 1367 . 1 . 1 127 127 LEU HD23 H 1 0.687 0.020 . 2 . . . . A 127 LEU HD23 . 34551 1 1368 . 1 . 1 127 127 LEU CA C 13 58.321 0.3 . 1 . . . . A 127 LEU CA . 34551 1 1369 . 1 . 1 127 127 LEU CB C 13 42.669 0.3 . 1 . . . . A 127 LEU CB . 34551 1 1370 . 1 . 1 127 127 LEU CG C 13 28.393 0.3 . 1 . . . . A 127 LEU CG . 34551 1 1371 . 1 . 1 127 127 LEU CD1 C 13 27.097 0.3 . 1 . . . . A 127 LEU CD1 . 34551 1 1372 . 1 . 1 127 127 LEU CD2 C 13 22.868 0.3 . 1 . . . . A 127 LEU CD2 . 34551 1 1373 . 1 . 1 127 127 LEU N N 15 121.142 0.3 . 1 . . . . A 127 LEU N . 34551 1 1374 . 1 . 1 128 128 SER H H 1 8.082 0.020 . 1 . . . . A 128 SER H . 34551 1 1375 . 1 . 1 128 128 SER HA H 1 3.980 0.020 . 1 . . . . A 128 SER HA . 34551 1 1376 . 1 . 1 128 128 SER HB2 H 1 3.956 0.020 . 2 . . . . A 128 SER HB2 . 34551 1 1377 . 1 . 1 128 128 SER HB3 H 1 3.916 0.020 . 2 . . . . A 128 SER HB3 . 34551 1 1378 . 1 . 1 128 128 SER CA C 13 63.051 0.3 . 1 . . . . A 128 SER CA . 34551 1 1379 . 1 . 1 128 128 SER CB C 13 63.908 0.3 . 1 . . . . A 128 SER CB . 34551 1 1380 . 1 . 1 128 128 SER N N 15 119.093 0.3 . 1 . . . . A 128 SER N . 34551 1 1381 . 1 . 1 129 129 GLN H H 1 7.152 0.020 . 1 . . . . A 129 GLN H . 34551 1 1382 . 1 . 1 129 129 GLN HA H 1 4.464 0.020 . 1 . . . . A 129 GLN HA . 34551 1 1383 . 1 . 1 129 129 GLN HB2 H 1 2.319 0.020 . 2 . . . . A 129 GLN HB2 . 34551 1 1384 . 1 . 1 129 129 GLN HB3 H 1 1.992 0.020 . 2 . . . . A 129 GLN HB3 . 34551 1 1385 . 1 . 1 129 129 GLN HG2 H 1 2.318 0.020 . 2 . . . . A 129 GLN HG2 . 34551 1 1386 . 1 . 1 129 129 GLN HG3 H 1 2.271 0.020 . 2 . . . . A 129 GLN HG3 . 34551 1 1387 . 1 . 1 129 129 GLN HE21 H 1 7.766 0.020 . 1 . . . . A 129 GLN HE21 . 34551 1 1388 . 1 . 1 129 129 GLN HE22 H 1 6.930 0.020 . 1 . . . . A 129 GLN HE22 . 34551 1 1389 . 1 . 1 129 129 GLN CA C 13 55.504 0.3 . 1 . . . . A 129 GLN CA . 34551 1 1390 . 1 . 1 129 129 GLN CB C 13 29.944 0.3 . 1 . . . . A 129 GLN CB . 34551 1 1391 . 1 . 1 129 129 GLN CG C 13 34.386 0.3 . 1 . . . . A 129 GLN CG . 34551 1 1392 . 1 . 1 129 129 GLN N N 15 118.303 0.3 . 1 . . . . A 129 GLN N . 34551 1 1393 . 1 . 1 129 129 GLN NE2 N 15 117.901 0.3 . 1 . . . . A 129 GLN NE2 . 34551 1 1394 . 1 . 1 130 130 GLU H H 1 7.288 0.020 . 1 . . . . A 130 GLU H . 34551 1 1395 . 1 . 1 130 130 GLU HA H 1 4.403 0.020 . 1 . . . . A 130 GLU HA . 34551 1 1396 . 1 . 1 130 130 GLU HB2 H 1 2.341 0.020 . 1 . . . . A 130 GLU HB2 . 34551 1 1397 . 1 . 1 130 130 GLU HB3 H 1 2.341 0.020 . 1 . . . . A 130 GLU HB3 . 34551 1 1398 . 1 . 1 130 130 GLU HG2 H 1 2.563 0.020 . 2 . . . . A 130 GLU HG2 . 34551 1 1399 . 1 . 1 130 130 GLU HG3 H 1 2.506 0.020 . 2 . . . . A 130 GLU HG3 . 34551 1 1400 . 1 . 1 130 130 GLU CA C 13 55.674 0.3 . 1 . . . . A 130 GLU CA . 34551 1 1401 . 1 . 1 130 130 GLU CB C 13 30.440 0.3 . 1 . . . . A 130 GLU CB . 34551 1 1402 . 1 . 1 130 130 GLU CG C 13 34.436 0.3 . 1 . . . . A 130 GLU CG . 34551 1 1403 . 1 . 1 130 130 GLU N N 15 119.432 0.3 . 1 . . . . A 130 GLU N . 34551 1 1404 . 1 . 1 131 131 GLN H H 1 8.824 0.020 . 1 . . . . A 131 GLN H . 34551 1 1405 . 1 . 1 131 131 GLN HA H 1 3.830 0.020 . 1 . . . . A 131 GLN HA . 34551 1 1406 . 1 . 1 131 131 GLN HB2 H 1 1.994 0.020 . 1 . . . . A 131 GLN HB2 . 34551 1 1407 . 1 . 1 131 131 GLN HB3 H 1 1.994 0.020 . 1 . . . . A 131 GLN HB3 . 34551 1 1408 . 1 . 1 131 131 GLN HG2 H 1 2.242 0.020 . 2 . . . . A 131 GLN HG2 . 34551 1 1409 . 1 . 1 131 131 GLN HG3 H 1 2.281 0.020 . 2 . . . . A 131 GLN HG3 . 34551 1 1410 . 1 . 1 131 131 GLN HE21 H 1 6.737 0.020 . 1 . . . . A 131 GLN HE21 . 34551 1 1411 . 1 . 1 131 131 GLN HE22 H 1 7.336 0.020 . 1 . . . . A 131 GLN HE22 . 34551 1 1412 . 1 . 1 131 131 GLN CA C 13 60.048 0.3 . 1 . . . . A 131 GLN CA . 34551 1 1413 . 1 . 1 131 131 GLN CB C 13 30.493 0.3 . 1 . . . . A 131 GLN CB . 34551 1 1414 . 1 . 1 131 131 GLN CG C 13 36.530 0.3 . 1 . . . . A 131 GLN CG . 34551 1 1415 . 1 . 1 131 131 GLN N N 15 126.058 0.3 . 1 . . . . A 131 GLN N . 34551 1 1416 . 1 . 1 131 131 GLN NE2 N 15 113.250 0.3 . 1 . . . . A 131 GLN NE2 . 34551 1 1417 . 1 . 1 132 132 ILE H H 1 8.095 0.020 . 1 . . . . A 132 ILE H . 34551 1 1418 . 1 . 1 132 132 ILE HA H 1 3.968 0.020 . 1 . . . . A 132 ILE HA . 34551 1 1419 . 1 . 1 132 132 ILE HB H 1 1.798 0.020 . 1 . . . . A 132 ILE HB . 34551 1 1420 . 1 . 1 132 132 ILE HG12 H 1 1.387 0.020 . 2 . . . . A 132 ILE HG12 . 34551 1 1421 . 1 . 1 132 132 ILE HG13 H 1 0.966 0.020 . 2 . . . . A 132 ILE HG13 . 34551 1 1422 . 1 . 1 132 132 ILE HG21 H 1 0.586 0.020 . 1 . . . . A 132 ILE HG21 . 34551 1 1423 . 1 . 1 132 132 ILE HG22 H 1 0.586 0.020 . 1 . . . . A 132 ILE HG22 . 34551 1 1424 . 1 . 1 132 132 ILE HG23 H 1 0.586 0.020 . 1 . . . . A 132 ILE HG23 . 34551 1 1425 . 1 . 1 132 132 ILE HD11 H 1 0.748 0.020 . 1 . . . . A 132 ILE HD11 . 34551 1 1426 . 1 . 1 132 132 ILE HD12 H 1 0.748 0.020 . 1 . . . . A 132 ILE HD12 . 34551 1 1427 . 1 . 1 132 132 ILE HD13 H 1 0.748 0.020 . 1 . . . . A 132 ILE HD13 . 34551 1 1428 . 1 . 1 132 132 ILE CA C 13 63.301 0.3 . 1 . . . . A 132 ILE CA . 34551 1 1429 . 1 . 1 132 132 ILE CB C 13 38.048 0.3 . 1 . . . . A 132 ILE CB . 34551 1 1430 . 1 . 1 132 132 ILE CG1 C 13 28.933 0.3 . 1 . . . . A 132 ILE CG1 . 34551 1 1431 . 1 . 1 132 132 ILE CG2 C 13 16.473 0.3 . 1 . . . . A 132 ILE CG2 . 34551 1 1432 . 1 . 1 132 132 ILE CD1 C 13 14.619 0.3 . 1 . . . . A 132 ILE CD1 . 34551 1 1433 . 1 . 1 132 132 ILE N N 15 118.967 0.3 . 1 . . . . A 132 ILE N . 34551 1 1434 . 1 . 1 133 133 ASN H H 1 7.632 0.020 . 1 . . . . A 133 ASN H . 34551 1 1435 . 1 . 1 133 133 ASN HA H 1 5.005 0.020 . 1 . . . . A 133 ASN HA . 34551 1 1436 . 1 . 1 133 133 ASN HB2 H 1 2.968 0.020 . 2 . . . . A 133 ASN HB2 . 34551 1 1437 . 1 . 1 133 133 ASN HB3 H 1 2.447 0.020 . 2 . . . . A 133 ASN HB3 . 34551 1 1438 . 1 . 1 133 133 ASN HD21 H 1 7.067 0.020 . 1 . . . . A 133 ASN HD21 . 34551 1 1439 . 1 . 1 133 133 ASN HD22 H 1 7.418 0.020 . 1 . . . . A 133 ASN HD22 . 34551 1 1440 . 1 . 1 133 133 ASN C C 13 171.591 0.3 . 1 . . . . A 133 ASN C . 34551 1 1441 . 1 . 1 133 133 ASN CA C 13 53.313 0.3 . 1 . . . . A 133 ASN CA . 34551 1 1442 . 1 . 1 133 133 ASN CB C 13 40.506 0.3 . 1 . . . . A 133 ASN CB . 34551 1 1443 . 1 . 1 133 133 ASN N N 15 117.224 0.3 . 1 . . . . A 133 ASN N . 34551 1 1444 . 1 . 1 133 133 ASN ND2 N 15 113.883 0.3 . 1 . . . . A 133 ASN ND2 . 34551 1 1445 . 1 . 1 134 134 GLU H H 1 7.715 0.020 . 1 . . . . A 134 GLU H . 34551 1 1446 . 1 . 1 134 134 GLU HA H 1 3.994 0.020 . 1 . . . . A 134 GLU HA . 34551 1 1447 . 1 . 1 134 134 GLU HB2 H 1 1.897 0.020 . 2 . . . . A 134 GLU HB2 . 34551 1 1448 . 1 . 1 134 134 GLU HB3 H 1 2.012 0.020 . 2 . . . . A 134 GLU HB3 . 34551 1 1449 . 1 . 1 134 134 GLU HG2 H 1 2.236 0.020 . 1 . . . . A 134 GLU HG2 . 34551 1 1450 . 1 . 1 134 134 GLU HG3 H 1 2.236 0.020 . 1 . . . . A 134 GLU HG3 . 34551 1 1451 . 1 . 1 134 134 GLU C C 13 172.695 0.3 . 1 . . . . A 134 GLU C . 34551 1 1452 . 1 . 1 134 134 GLU CA C 13 59.801 0.3 . 1 . . . . A 134 GLU CA . 34551 1 1453 . 1 . 1 134 134 GLU CB C 13 30.524 0.3 . 1 . . . . A 134 GLU CB . 34551 1 1454 . 1 . 1 134 134 GLU CG C 13 35.660 0.3 . 1 . . . . A 134 GLU CG . 34551 1 1455 . 1 . 1 134 134 GLU N N 15 123.085 0.3 . 1 . . . . A 134 GLU N . 34551 1 1456 . 1 . 1 135 135 VAL H H 1 7.603 0.020 . 1 . . . . A 135 VAL H . 34551 1 1457 . 1 . 1 135 135 VAL HA H 1 3.951 0.020 . 1 . . . . A 135 VAL HA . 34551 1 1458 . 1 . 1 135 135 VAL HB H 1 1.995 0.020 . 1 . . . . A 135 VAL HB . 34551 1 1459 . 1 . 1 135 135 VAL HG11 H 1 0.815 0.020 . 2 . . . . A 135 VAL HG11 . 34551 1 1460 . 1 . 1 135 135 VAL HG12 H 1 0.815 0.020 . 2 . . . . A 135 VAL HG12 . 34551 1 1461 . 1 . 1 135 135 VAL HG13 H 1 0.815 0.020 . 2 . . . . A 135 VAL HG13 . 34551 1 1462 . 1 . 1 135 135 VAL HG21 H 1 0.799 0.020 . 2 . . . . A 135 VAL HG21 . 34551 1 1463 . 1 . 1 135 135 VAL HG22 H 1 0.799 0.020 . 2 . . . . A 135 VAL HG22 . 34551 1 1464 . 1 . 1 135 135 VAL HG23 H 1 0.799 0.020 . 2 . . . . A 135 VAL HG23 . 34551 1 1465 . 1 . 1 135 135 VAL C C 13 178.187 0.3 . 1 . . . . A 135 VAL C . 34551 1 1466 . 1 . 1 135 135 VAL CA C 13 64.081 0.3 . 1 . . . . A 135 VAL CA . 34551 1 1467 . 1 . 1 135 135 VAL CB C 13 33.865 0.3 . 1 . . . . A 135 VAL CB . 34551 1 1468 . 1 . 1 135 135 VAL CG1 C 13 22.162 0.3 . 1 . . . . A 135 VAL CG1 . 34551 1 1469 . 1 . 1 135 135 VAL CG2 C 13 20.828 0.3 . 1 . . . . A 135 VAL CG2 . 34551 1 1470 . 1 . 1 135 135 VAL N N 15 125.455 0.3 . 1 . . . . A 135 VAL N . 34551 1 stop_ save_