data_6621 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6621 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 '1H, 15N, and 13C Resonance Assignments of Human Interleukin-2' 'Chemical shift assignment' . 6621 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 IL-2 6621 1 1 'resonance assignments' 6621 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 . 'Assigned chemical shift entry' 'Complete aliphatic 1H, 15N, and 13C chemical shift assignments' 6621 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6621 _Entry.Title ; 1H, 15N, and 13C Resonance Assignments of Human Interleukin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-06 _Entry.Accession_date 2005-05-09 _Entry.Last_release_date 2005-09-01 _Entry.Original_release_date 2005-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 David Fry . C. . 6621 2 Stephen Emerson . D. . 6621 3 Chao Liu . M. . 6621 4 Robert Palermo . . . 6621 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Hoffmann-La Roche, Inc.' . 6621 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6621 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 6621 '15N chemical shifts' 142 6621 '1H chemical shifts' 971 6621 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-09-01 2005-05-06 original author . 6621 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6621 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16132828 _Citation.Full_citation . _Citation.Title '1H, 15N, and 13C Resonance Assignments of Human Interleukin-2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 258 _Citation.Page_last 258 _Citation.Year 2005 _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.Entry_ID _Citation_author.Citation_ID 1 David Fry . C. . 6621 1 2 Stephen Emerson . D. . 6621 1 3 Chao Liu . M. . 6621 1 4 Robert Palermo . . . 6621 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IL-2 6621 1 'resonance assignments' 6621 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6621 _Assembly.ID 1 _Assembly.Name Interleukin-2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6621 1 stop_ 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 Interleukin-2 1 $Interleukin-2 . . yes native no no . . . 6621 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 58 58 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . 6621 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Interleukin-2 _Entity.Sf_category entity _Entity.Sf_framecode Interleukin-2 _Entity.Entry_ID 6621 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Interleukin-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APTSSSTKKTQLQLEHLLLD LQMILNGINNYKNPKLTRML TFKFYMPKKATELKHLQCLE EELKPLEEVLNLAQSKNFHL RPRDLISNINVIVLELKGSE TTFMCEYADETATIVEFLNR WITFCQSIISTLT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Interleukin-2 . 6621 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 6621 1 2 . PRO . 6621 1 3 . THR . 6621 1 4 . SER . 6621 1 5 . SER . 6621 1 6 . SER . 6621 1 7 . THR . 6621 1 8 . LYS . 6621 1 9 . LYS . 6621 1 10 . THR . 6621 1 11 . GLN . 6621 1 12 . LEU . 6621 1 13 . GLN . 6621 1 14 . LEU . 6621 1 15 . GLU . 6621 1 16 . HIS . 6621 1 17 . LEU . 6621 1 18 . LEU . 6621 1 19 . LEU . 6621 1 20 . ASP . 6621 1 21 . LEU . 6621 1 22 . GLN . 6621 1 23 . MET . 6621 1 24 . ILE . 6621 1 25 . LEU . 6621 1 26 . ASN . 6621 1 27 . GLY . 6621 1 28 . ILE . 6621 1 29 . ASN . 6621 1 30 . ASN . 6621 1 31 . TYR . 6621 1 32 . LYS . 6621 1 33 . ASN . 6621 1 34 . PRO . 6621 1 35 . LYS . 6621 1 36 . LEU . 6621 1 37 . THR . 6621 1 38 . ARG . 6621 1 39 . MET . 6621 1 40 . LEU . 6621 1 41 . THR . 6621 1 42 . PHE . 6621 1 43 . LYS . 6621 1 44 . PHE . 6621 1 45 . TYR . 6621 1 46 . MET . 6621 1 47 . PRO . 6621 1 48 . LYS . 6621 1 49 . LYS . 6621 1 50 . ALA . 6621 1 51 . THR . 6621 1 52 . GLU . 6621 1 53 . LEU . 6621 1 54 . LYS . 6621 1 55 . HIS . 6621 1 56 . LEU . 6621 1 57 . GLN . 6621 1 58 . CYS . 6621 1 59 . LEU . 6621 1 60 . GLU . 6621 1 61 . GLU . 6621 1 62 . GLU . 6621 1 63 . LEU . 6621 1 64 . LYS . 6621 1 65 . PRO . 6621 1 66 . LEU . 6621 1 67 . GLU . 6621 1 68 . GLU . 6621 1 69 . VAL . 6621 1 70 . LEU . 6621 1 71 . ASN . 6621 1 72 . LEU . 6621 1 73 . ALA . 6621 1 74 . GLN . 6621 1 75 . SER . 6621 1 76 . LYS . 6621 1 77 . ASN . 6621 1 78 . PHE . 6621 1 79 . HIS . 6621 1 80 . LEU . 6621 1 81 . ARG . 6621 1 82 . PRO . 6621 1 83 . ARG . 6621 1 84 . ASP . 6621 1 85 . LEU . 6621 1 86 . ILE . 6621 1 87 . SER . 6621 1 88 . ASN . 6621 1 89 . ILE . 6621 1 90 . ASN . 6621 1 91 . VAL . 6621 1 92 . ILE . 6621 1 93 . VAL . 6621 1 94 . LEU . 6621 1 95 . GLU . 6621 1 96 . LEU . 6621 1 97 . LYS . 6621 1 98 . GLY . 6621 1 99 . SER . 6621 1 100 . GLU . 6621 1 101 . THR . 6621 1 102 . THR . 6621 1 103 . PHE . 6621 1 104 . MET . 6621 1 105 . CYS . 6621 1 106 . GLU . 6621 1 107 . TYR . 6621 1 108 . ALA . 6621 1 109 . ASP . 6621 1 110 . GLU . 6621 1 111 . THR . 6621 1 112 . ALA . 6621 1 113 . THR . 6621 1 114 . ILE . 6621 1 115 . VAL . 6621 1 116 . GLU . 6621 1 117 . PHE . 6621 1 118 . LEU . 6621 1 119 . ASN . 6621 1 120 . ARG . 6621 1 121 . TRP . 6621 1 122 . ILE . 6621 1 123 . THR . 6621 1 124 . PHE . 6621 1 125 . CYS . 6621 1 126 . GLN . 6621 1 127 . SER . 6621 1 128 . ILE . 6621 1 129 . ILE . 6621 1 130 . SER . 6621 1 131 . THR . 6621 1 132 . LEU . 6621 1 133 . THR . 6621 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 . ALA 1 1 6621 1 . PRO 2 2 6621 1 . THR 3 3 6621 1 . SER 4 4 6621 1 . SER 5 5 6621 1 . SER 6 6 6621 1 . THR 7 7 6621 1 . LYS 8 8 6621 1 . LYS 9 9 6621 1 . THR 10 10 6621 1 . GLN 11 11 6621 1 . LEU 12 12 6621 1 . GLN 13 13 6621 1 . LEU 14 14 6621 1 . GLU 15 15 6621 1 . HIS 16 16 6621 1 . LEU 17 17 6621 1 . LEU 18 18 6621 1 . LEU 19 19 6621 1 . ASP 20 20 6621 1 . LEU 21 21 6621 1 . GLN 22 22 6621 1 . MET 23 23 6621 1 . ILE 24 24 6621 1 . LEU 25 25 6621 1 . ASN 26 26 6621 1 . GLY 27 27 6621 1 . ILE 28 28 6621 1 . ASN 29 29 6621 1 . ASN 30 30 6621 1 . TYR 31 31 6621 1 . LYS 32 32 6621 1 . ASN 33 33 6621 1 . PRO 34 34 6621 1 . LYS 35 35 6621 1 . LEU 36 36 6621 1 . THR 37 37 6621 1 . ARG 38 38 6621 1 . MET 39 39 6621 1 . LEU 40 40 6621 1 . THR 41 41 6621 1 . PHE 42 42 6621 1 . LYS 43 43 6621 1 . PHE 44 44 6621 1 . TYR 45 45 6621 1 . MET 46 46 6621 1 . PRO 47 47 6621 1 . LYS 48 48 6621 1 . LYS 49 49 6621 1 . ALA 50 50 6621 1 . THR 51 51 6621 1 . GLU 52 52 6621 1 . LEU 53 53 6621 1 . LYS 54 54 6621 1 . HIS 55 55 6621 1 . LEU 56 56 6621 1 . GLN 57 57 6621 1 . CYS 58 58 6621 1 . LEU 59 59 6621 1 . GLU 60 60 6621 1 . GLU 61 61 6621 1 . GLU 62 62 6621 1 . LEU 63 63 6621 1 . LYS 64 64 6621 1 . PRO 65 65 6621 1 . LEU 66 66 6621 1 . GLU 67 67 6621 1 . GLU 68 68 6621 1 . VAL 69 69 6621 1 . LEU 70 70 6621 1 . ASN 71 71 6621 1 . LEU 72 72 6621 1 . ALA 73 73 6621 1 . GLN 74 74 6621 1 . SER 75 75 6621 1 . LYS 76 76 6621 1 . ASN 77 77 6621 1 . PHE 78 78 6621 1 . HIS 79 79 6621 1 . LEU 80 80 6621 1 . ARG 81 81 6621 1 . PRO 82 82 6621 1 . ARG 83 83 6621 1 . ASP 84 84 6621 1 . LEU 85 85 6621 1 . ILE 86 86 6621 1 . SER 87 87 6621 1 . ASN 88 88 6621 1 . ILE 89 89 6621 1 . ASN 90 90 6621 1 . VAL 91 91 6621 1 . ILE 92 92 6621 1 . VAL 93 93 6621 1 . LEU 94 94 6621 1 . GLU 95 95 6621 1 . LEU 96 96 6621 1 . LYS 97 97 6621 1 . GLY 98 98 6621 1 . SER 99 99 6621 1 . GLU 100 100 6621 1 . THR 101 101 6621 1 . THR 102 102 6621 1 . PHE 103 103 6621 1 . MET 104 104 6621 1 . CYS 105 105 6621 1 . GLU 106 106 6621 1 . TYR 107 107 6621 1 . ALA 108 108 6621 1 . ASP 109 109 6621 1 . GLU 110 110 6621 1 . THR 111 111 6621 1 . ALA 112 112 6621 1 . THR 113 113 6621 1 . ILE 114 114 6621 1 . VAL 115 115 6621 1 . GLU 116 116 6621 1 . PHE 117 117 6621 1 . LEU 118 118 6621 1 . ASN 119 119 6621 1 . ARG 120 120 6621 1 . TRP 121 121 6621 1 . ILE 122 122 6621 1 . THR 123 123 6621 1 . PHE 124 124 6621 1 . CYS 125 125 6621 1 . GLN 126 126 6621 1 . SER 127 127 6621 1 . ILE 128 128 6621 1 . ILE 129 129 6621 1 . SER 130 130 6621 1 . THR 131 131 6621 1 . LEU 132 132 6621 1 . THR 133 133 6621 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 6621 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Interleukin-2 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6621 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 6621 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Interleukin-2 . 'recombinant technology' . Yeast . . Pichia pastoris . . . . . . . . . . . . . . . . . . . . . . . 6621 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6621 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Interleukin-2 '[U-13C; U-15N]' 1 $assembly 1 $Interleukin-2 . . 0.4 . . mM . . . . 6621 1 2 'Sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM . . . . 6621 1 3 'Sodium azide' . . . . . . . 3 . . mM . . . . 6621 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6621 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.6 0.1 pH 6621 1 temperature 313 0.1 K 6621 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6621 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys . . 6621 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6621 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.3 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6621 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6621 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H-15N-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6621 1 2 1H-1H-15N-NOESY-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6621 1 3 1H-13C-HMQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6621 1 4 HNCOCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6621 1 5 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6621 1 6 1H-1H-13C-HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6621 1 7 1H-1H-13C-NOESY-HMQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6621 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6621 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6621 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 6621 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6621 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6621 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6621 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.37 0.02 . 1 . . . . 1 ALA HA . 6621 1 2 . 1 1 1 1 ALA HB1 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 6621 1 3 . 1 1 1 1 ALA HB2 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 6621 1 4 . 1 1 1 1 ALA HB3 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 6621 1 5 . 1 1 1 1 ALA CA C 13 50.52 0.15 . 1 . . . . 1 ALA CA . 6621 1 6 . 1 1 1 1 ALA CB C 13 17.32 0.15 . 1 . . . . 1 ALA CB . 6621 1 7 . 1 1 2 2 PRO HA H 1 4.61 0.02 . 1 . . . . 2 PRO HA . 6621 1 8 . 1 1 2 2 PRO HB2 H 1 1.86 0.02 . 1 . . . . 2 PRO HB2 . 6621 1 9 . 1 1 2 2 PRO HB3 H 1 1.86 0.02 . 1 . . . . 2 PRO HB3 . 6621 1 10 . 1 1 2 2 PRO HG2 H 1 2.04 0.02 . 1 . . . . 2 PRO HG2 . 6621 1 11 . 1 1 2 2 PRO HG3 H 1 2.04 0.02 . 1 . . . . 2 PRO HG3 . 6621 1 12 . 1 1 2 2 PRO HD2 H 1 3.71 0.02 . 2 . . . . 2 PRO HD2 . 6621 1 13 . 1 1 2 2 PRO HD3 H 1 3.62 0.02 . 1 . . . . 2 PRO HD3 . 6621 1 14 . 1 1 2 2 PRO CA C 13 62.74 0.15 . 1 . . . . 2 PRO CA . 6621 1 15 . 1 1 2 2 PRO CB C 13 31.93 0.15 . 1 . . . . 2 PRO CB . 6621 1 16 . 1 1 2 2 PRO CG C 13 27.01 0.15 . 1 . . . . 2 PRO CG . 6621 1 17 . 1 1 2 2 PRO CD C 13 49.99 0.15 . 1 . . . . 2 PRO CD . 6621 1 18 . 1 1 3 3 THR H H 1 8.28 0.02 . 1 . . . . 3 THR H . 6621 1 19 . 1 1 3 3 THR HA H 1 4.38 0.02 . 1 . . . . 3 THR HA . 6621 1 20 . 1 1 3 3 THR HB H 1 4.21 0.02 . 1 . . . . 3 THR HB . 6621 1 21 . 1 1 3 3 THR HG21 H 1 1.20 0.02 . 1 . . . . 3 THR HG2 . 6621 1 22 . 1 1 3 3 THR HG22 H 1 1.20 0.02 . 1 . . . . 3 THR HG2 . 6621 1 23 . 1 1 3 3 THR HG23 H 1 1.20 0.02 . 1 . . . . 3 THR HG2 . 6621 1 24 . 1 1 3 3 THR CA C 13 61.81 0.15 . 1 . . . . 3 THR CA . 6621 1 25 . 1 1 3 3 THR CB C 13 69.25 0.15 . 1 . . . . 3 THR CB . 6621 1 26 . 1 1 3 3 THR CG2 C 13 21.04 0.15 . 1 . . . . 3 THR CG2 . 6621 1 27 . 1 1 3 3 THR N N 15 115.80 0.15 . 1 . . . . 3 THR N . 6621 1 28 . 1 1 4 4 SER H H 1 8.37 0.02 . 1 . . . . 4 SER H . 6621 1 29 . 1 1 4 4 SER HB2 H 1 4.00 0.02 . 2 . . . . 4 SER HB2 . 6621 1 30 . 1 1 4 4 SER HB3 H 1 3.95 0.02 . 1 . . . . 4 SER HB3 . 6621 1 31 . 1 1 4 4 SER CA C 13 57.83 0.15 . 1 . . . . 4 SER CA . 6621 1 32 . 1 1 4 4 SER CB C 13 63.40 0.15 . 1 . . . . 4 SER CB . 6621 1 33 . 1 1 4 4 SER N N 15 119.55 0.15 . 1 . . . . 4 SER N . 6621 1 34 . 1 1 5 5 SER H H 1 8.50 0.02 . 1 . . . . 5 SER H . 6621 1 35 . 1 1 5 5 SER HA H 1 4.42 0.02 . 1 . . . . 5 SER HA . 6621 1 36 . 1 1 5 5 SER HB2 H 1 3.90 0.02 . 1 . . . . 5 SER HB2 . 6621 1 37 . 1 1 5 5 SER HB3 H 1 3.90 0.02 . 1 . . . . 5 SER HB3 . 6621 1 38 . 1 1 5 5 SER CA C 13 58.62 0.15 . 1 . . . . 5 SER CA . 6621 1 39 . 1 1 5 5 SER CB C 13 63.14 0.15 . 1 . . . . 5 SER CB . 6621 1 40 . 1 1 5 5 SER N N 15 119.11 0.15 . 1 . . . . 5 SER N . 6621 1 41 . 1 1 6 6 SER H H 1 8.37 0.02 . 1 . . . . 6 SER H . 6621 1 42 . 1 1 6 6 SER HA H 1 4.44 0.02 . 1 . . . . 6 SER HA . 6621 1 43 . 1 1 6 6 SER HB2 H 1 3.97 0.02 . 2 . . . . 6 SER HB2 . 6621 1 44 . 1 1 6 6 SER HB3 H 1 3.91 0.02 . 2 . . . . 6 SER HB3 . 6621 1 45 . 1 1 6 6 SER CA C 13 58.89 0.15 . 1 . . . . 6 SER CA . 6621 1 46 . 1 1 6 6 SER CB C 13 63.00 0.15 . 1 . . . . 6 SER CB . 6621 1 47 . 1 1 6 6 SER N N 15 119.11 0.15 . 1 . . . . 6 SER N . 6621 1 48 . 1 1 7 7 THR H H 1 8.14 0.02 . 1 . . . . 7 THR H . 6621 1 49 . 1 1 7 7 THR HA H 1 4.18 0.02 . 1 . . . . 7 THR HA . 6621 1 50 . 1 1 7 7 THR HB H 1 4.27 0.02 . 1 . . . . 7 THR HB . 6621 1 51 . 1 1 7 7 THR HG21 H 1 1.28 0.02 . 1 . . . . 7 THR HG2 . 6621 1 52 . 1 1 7 7 THR HG22 H 1 1.28 0.02 . 1 . . . . 7 THR HG2 . 6621 1 53 . 1 1 7 7 THR HG23 H 1 1.28 0.02 . 1 . . . . 7 THR HG2 . 6621 1 54 . 1 1 7 7 THR CA C 13 63.93 0.15 . 1 . . . . 7 THR CA . 6621 1 55 . 1 1 7 7 THR CB C 13 68.58 0.15 . 1 . . . . 7 THR CB . 6621 1 56 . 1 1 7 7 THR CG2 C 13 20.51 0.15 . 1 . . . . 7 THR CG2 . 6621 1 57 . 1 1 7 7 THR N N 15 118.65 0.15 . 1 . . . . 7 THR N . 6621 1 58 . 1 1 8 8 LYS H H 1 8.05 0.02 . 1 . . . . 8 LYS H . 6621 1 59 . 1 1 8 8 LYS HA H 1 4.14 0.02 . 1 . . . . 8 LYS HA . 6621 1 60 . 1 1 8 8 LYS HB2 H 1 1.84 0.02 . 1 . . . . 8 LYS HB2 . 6621 1 61 . 1 1 8 8 LYS HB3 H 1 1.84 0.02 . 1 . . . . 8 LYS HB3 . 6621 1 62 . 1 1 8 8 LYS HG2 H 1 1.47 0.02 . 1 . . . . 8 LYS HG2 . 6621 1 63 . 1 1 8 8 LYS HG3 H 1 1.47 0.02 . 1 . . . . 8 LYS HG3 . 6621 1 64 . 1 1 8 8 LYS HD2 H 1 1.63 0.02 . 1 . . . . 8 LYS HD2 . 6621 1 65 . 1 1 8 8 LYS HD3 H 1 1.63 0.02 . 1 . . . . 8 LYS HD3 . 6621 1 66 . 1 1 8 8 LYS HE2 H 1 2.94 0.02 . 1 . . . . 8 LYS HE2 . 6621 1 67 . 1 1 8 8 LYS HE3 H 1 2.94 0.02 . 1 . . . . 8 LYS HE3 . 6621 1 68 . 1 1 8 8 LYS CA C 13 57.69 0.15 . 1 . . . . 8 LYS CA . 6621 1 69 . 1 1 8 8 LYS CB C 13 31.40 0.15 . 1 . . . . 8 LYS CB . 6621 1 70 . 1 1 8 8 LYS CG C 13 24.49 0.15 . 1 . . . . 8 LYS CG . 6621 1 71 . 1 1 8 8 LYS CD C 13 28.74 0.15 . 1 . . . . 8 LYS CD . 6621 1 72 . 1 1 8 8 LYS CE C 13 41.89 0.15 . 1 . . . . 8 LYS CE . 6621 1 73 . 1 1 8 8 LYS N N 15 123.54 0.15 . 1 . . . . 8 LYS N . 6621 1 74 . 1 1 9 9 LYS H H 1 7.96 0.02 . 1 . . . . 9 LYS H . 6621 1 75 . 1 1 9 9 LYS HA H 1 4.02 0.02 . 1 . . . . 9 LYS HA . 6621 1 76 . 1 1 9 9 LYS HB2 H 1 1.88 0.02 . 1 . . . . 9 LYS HB2 . 6621 1 77 . 1 1 9 9 LYS HB3 H 1 1.88 0.02 . 1 . . . . 9 LYS HB3 . 6621 1 78 . 1 1 9 9 LYS HG2 H 1 1.48 0.02 . 1 . . . . 9 LYS HG2 . 6621 1 79 . 1 1 9 9 LYS HG3 H 1 1.48 0.02 . 1 . . . . 9 LYS HG3 . 6621 1 80 . 1 1 9 9 LYS HD2 H 1 1.56 0.02 . 2 . . . . 9 LYS HD2 . 6621 1 81 . 1 1 9 9 LYS HD3 H 1 1.49 0.02 . 2 . . . . 9 LYS HD3 . 6621 1 82 . 1 1 9 9 LYS HE2 H 1 2.95 0.02 . 1 . . . . 9 LYS HE2 . 6621 1 83 . 1 1 9 9 LYS HE3 H 1 2.95 0.02 . 1 . . . . 9 LYS HE3 . 6621 1 84 . 1 1 9 9 LYS CA C 13 58.89 0.15 . 1 . . . . 9 LYS CA . 6621 1 85 . 1 1 9 9 LYS CB C 13 31.40 0.15 . 1 . . . . 9 LYS CB . 6621 1 86 . 1 1 9 9 LYS CG C 13 24.49 0.15 . 1 . . . . 9 LYS CG . 6621 1 87 . 1 1 9 9 LYS CD C 13 28.47 0.15 . 1 . . . . 9 LYS CD . 6621 1 88 . 1 1 9 9 LYS CE C 13 41.89 0.15 . 1 . . . . 9 LYS CE . 6621 1 89 . 1 1 9 9 LYS N N 15 121.14 0.15 . 1 . . . . 9 LYS N . 6621 1 90 . 1 1 10 10 THR H H 1 7.88 0.02 . 1 . . . . 10 THR H . 6621 1 91 . 1 1 10 10 THR HA H 1 3.86 0.02 . 1 . . . . 10 THR HA . 6621 1 92 . 1 1 10 10 THR HB H 1 4.17 0.02 . 1 . . . . 10 THR HB . 6621 1 93 . 1 1 10 10 THR HG21 H 1 1.21 0.02 . 1 . . . . 10 THR HG2 . 6621 1 94 . 1 1 10 10 THR HG22 H 1 1.21 0.02 . 1 . . . . 10 THR HG2 . 6621 1 95 . 1 1 10 10 THR HG23 H 1 1.21 0.02 . 1 . . . . 10 THR HG2 . 6621 1 96 . 1 1 10 10 THR CA C 13 66.19 0.15 . 1 . . . . 10 THR CA . 6621 1 97 . 1 1 10 10 THR CB C 13 67.92 0.15 . 1 . . . . 10 THR CB . 6621 1 98 . 1 1 10 10 THR CG2 C 13 21.57 0.15 . 1 . . . . 10 THR CG2 . 6621 1 99 . 1 1 10 10 THR N N 15 117.68 0.15 . 1 . . . . 10 THR N . 6621 1 100 . 1 1 11 11 GLN H H 1 8.35 0.02 . 1 . . . . 11 GLN H . 6621 1 101 . 1 1 11 11 GLN HA H 1 3.68 0.02 . 1 . . . . 11 GLN HA . 6621 1 102 . 1 1 11 11 GLN HB2 H 1 2.27 0.02 . 1 . . . . 11 GLN HB2 . 6621 1 103 . 1 1 11 11 GLN HB3 H 1 2.27 0.02 . 1 . . . . 11 GLN HB3 . 6621 1 104 . 1 1 11 11 GLN HG2 H 1 2.26 0.02 . 1 . . . . 11 GLN HG2 . 6621 1 105 . 1 1 11 11 GLN HG3 H 1 2.26 0.02 . 1 . . . . 11 GLN HG3 . 6621 1 106 . 1 1 11 11 GLN HE21 H 1 7.26 0.02 . 2 . . . . 11 GLN HE21 . 6621 1 107 . 1 1 11 11 GLN HE22 H 1 6.68 0.02 . 2 . . . . 11 GLN HE22 . 6621 1 108 . 1 1 11 11 GLN CA C 13 59.95 0.15 . 1 . . . . 11 GLN CA . 6621 1 109 . 1 1 11 11 GLN CB C 13 27.94 0.15 . 1 . . . . 11 GLN CB . 6621 1 110 . 1 1 11 11 GLN CG C 13 33.52 0.15 . 1 . . . . 11 GLN CG . 6621 1 111 . 1 1 11 11 GLN N N 15 121.91 0.15 . 1 . . . . 11 GLN N . 6621 1 112 . 1 1 11 11 GLN NE2 N 15 112.09 0.15 . 1 . . . . 11 GLN NE2 . 6621 1 113 . 1 1 12 12 LEU H H 1 7.98 0.02 . 1 . . . . 12 LEU H . 6621 1 114 . 1 1 12 12 LEU HA H 1 4.03 0.02 . 1 . . . . 12 LEU HA . 6621 1 115 . 1 1 12 12 LEU HB2 H 1 1.82 0.02 . 2 . . . . 12 LEU HB2 . 6621 1 116 . 1 1 12 12 LEU HB3 H 1 1.60 0.02 . 2 . . . . 12 LEU HB3 . 6621 1 117 . 1 1 12 12 LEU HG H 1 1.62 0.02 . 1 . . . . 12 LEU HG . 6621 1 118 . 1 1 12 12 LEU HD11 H 1 0.87 0.02 . 2 . . . . 12 LEU HD1 . 6621 1 119 . 1 1 12 12 LEU HD12 H 1 0.87 0.02 . 2 . . . . 12 LEU HD1 . 6621 1 120 . 1 1 12 12 LEU HD13 H 1 0.87 0.02 . 2 . . . . 12 LEU HD1 . 6621 1 121 . 1 1 12 12 LEU HD21 H 1 0.86 0.02 . 2 . . . . 12 LEU HD2 . 6621 1 122 . 1 1 12 12 LEU HD22 H 1 0.86 0.02 . 2 . . . . 12 LEU HD2 . 6621 1 123 . 1 1 12 12 LEU HD23 H 1 0.86 0.02 . 2 . . . . 12 LEU HD2 . 6621 1 124 . 1 1 12 12 LEU CA C 13 57.16 0.15 . 1 . . . . 12 LEU CA . 6621 1 125 . 1 1 12 12 LEU CB C 13 41.22 0.15 . 1 . . . . 12 LEU CB . 6621 1 126 . 1 1 12 12 LEU CG C 13 26.75 0.15 . 1 . . . . 12 LEU CG . 6621 1 127 . 1 1 12 12 LEU CD1 C 13 23.96 0.15 . 2 . . . . 12 LEU CD1 . 6621 1 128 . 1 1 12 12 LEU CD2 C 13 23.16 0.15 . 2 . . . . 12 LEU CD2 . 6621 1 129 . 1 1 12 12 LEU N N 15 120.25 0.15 . 1 . . . . 12 LEU N . 6621 1 130 . 1 1 13 13 GLN H H 1 8.09 0.02 . 1 . . . . 13 GLN H . 6621 1 131 . 1 1 13 13 GLN HA H 1 4.31 0.02 . 1 . . . . 13 GLN HA . 6621 1 132 . 1 1 13 13 GLN HB2 H 1 2.07 0.02 . 2 . . . . 13 GLN HB2 . 6621 1 133 . 1 1 13 13 GLN HB3 H 1 1.98 0.02 . 2 . . . . 13 GLN HB3 . 6621 1 134 . 1 1 13 13 GLN HG2 H 1 2.46 0.02 . 2 . . . . 13 GLN HG2 . 6621 1 135 . 1 1 13 13 GLN HG3 H 1 2.36 0.02 . 2 . . . . 13 GLN HG3 . 6621 1 136 . 1 1 13 13 GLN HE21 H 1 7.21 0.02 . 2 . . . . 13 GLN HE21 . 6621 1 137 . 1 1 13 13 GLN HE22 H 1 6.59 0.02 . 2 . . . . 13 GLN HE22 . 6621 1 138 . 1 1 13 13 GLN CA C 13 58.62 0.15 . 1 . . . . 13 GLN CA . 6621 1 139 . 1 1 13 13 GLN CB C 13 28.47 0.15 . 1 . . . . 13 GLN CB . 6621 1 140 . 1 1 13 13 GLN CG C 13 33.25 0.15 . 1 . . . . 13 GLN CG . 6621 1 141 . 1 1 13 13 GLN N N 15 119.87 0.15 . 1 . . . . 13 GLN N . 6621 1 142 . 1 1 13 13 GLN NE2 N 15 110.72 0.15 . 1 . . . . 13 GLN NE2 . 6621 1 143 . 1 1 14 14 LEU H H 1 8.37 0.02 . 1 . . . . 14 LEU H . 6621 1 144 . 1 1 14 14 LEU HA H 1 4.03 0.02 . 1 . . . . 14 LEU HA . 6621 1 145 . 1 1 14 14 LEU HB2 H 1 1.95 0.02 . 2 . . . . 14 LEU HB2 . 6621 1 146 . 1 1 14 14 LEU HB3 H 1 1.26 0.02 . 2 . . . . 14 LEU HB3 . 6621 1 147 . 1 1 14 14 LEU HG H 1 1.62 0.02 . 1 . . . . 14 LEU HG . 6621 1 148 . 1 1 14 14 LEU HD11 H 1 0.87 0.02 . 2 . . . . 14 LEU HD1 . 6621 1 149 . 1 1 14 14 LEU HD12 H 1 0.87 0.02 . 2 . . . . 14 LEU HD1 . 6621 1 150 . 1 1 14 14 LEU HD13 H 1 0.87 0.02 . 2 . . . . 14 LEU HD1 . 6621 1 151 . 1 1 14 14 LEU HD21 H 1 0.83 0.02 . 2 . . . . 14 LEU HD2 . 6621 1 152 . 1 1 14 14 LEU HD22 H 1 0.83 0.02 . 2 . . . . 14 LEU HD2 . 6621 1 153 . 1 1 14 14 LEU HD23 H 1 0.83 0.02 . 2 . . . . 14 LEU HD2 . 6621 1 154 . 1 1 14 14 LEU CA C 13 57.69 0.15 . 1 . . . . 14 LEU CA . 6621 1 155 . 1 1 14 14 LEU CB C 13 42.28 0.15 . 1 . . . . 14 LEU CB . 6621 1 156 . 1 1 14 14 LEU CG C 13 26.75 0.15 . 1 . . . . 14 LEU CG . 6621 1 157 . 1 1 14 14 LEU CD1 C 13 23.96 0.15 . 2 . . . . 14 LEU CD1 . 6621 1 158 . 1 1 14 14 LEU CD2 C 13 26.08 0.15 . 2 . . . . 14 LEU CD2 . 6621 1 159 . 1 1 14 14 LEU N N 15 121.34 0.15 . 1 . . . . 14 LEU N . 6621 1 160 . 1 1 15 15 GLU H H 1 8.60 0.02 . 1 . . . . 15 GLU H . 6621 1 161 . 1 1 15 15 GLU HA H 1 3.93 0.02 . 1 . . . . 15 GLU HA . 6621 1 162 . 1 1 15 15 GLU HB2 H 1 2.27 0.02 . 1 . . . . 15 GLU HB2 . 6621 1 163 . 1 1 15 15 GLU HB3 H 1 2.27 0.02 . 1 . . . . 15 GLU HB3 . 6621 1 164 . 1 1 15 15 GLU HG2 H 1 2.32 0.02 . 2 . . . . 15 GLU HG2 . 6621 1 165 . 1 1 15 15 GLU HG3 H 1 2.17 0.02 . 2 . . . . 15 GLU HG3 . 6621 1 166 . 1 1 15 15 GLU CA C 13 58.62 0.15 . 1 . . . . 15 GLU CA . 6621 1 167 . 1 1 15 15 GLU CB C 13 28.47 0.15 . 1 . . . . 15 GLU CB . 6621 1 168 . 1 1 15 15 GLU CG C 13 35.11 0.15 . 1 . . . . 15 GLU CG . 6621 1 169 . 1 1 15 15 GLU N N 15 120.42 0.15 . 1 . . . . 15 GLU N . 6621 1 170 . 1 1 16 16 HIS H H 1 8.12 0.02 . 1 . . . . 16 HIS H . 6621 1 171 . 1 1 16 16 HIS HA H 1 4.43 0.02 . 1 . . . . 16 HIS HA . 6621 1 172 . 1 1 16 16 HIS HB2 H 1 3.39 0.02 . 2 . . . . 16 HIS HB2 . 6621 1 173 . 1 1 16 16 HIS HB3 H 1 3.36 0.02 . 2 . . . . 16 HIS HB3 . 6621 1 174 . 1 1 16 16 HIS CA C 13 57.56 0.15 . 1 . . . . 16 HIS CA . 6621 1 175 . 1 1 16 16 HIS CB C 13 27.81 0.15 . 1 . . . . 16 HIS CB . 6621 1 176 . 1 1 16 16 HIS N N 15 120.25 0.15 . 1 . . . . 16 HIS N . 6621 1 177 . 1 1 17 17 LEU H H 1 8.50 0.02 . 1 . . . . 17 LEU H . 6621 1 178 . 1 1 17 17 LEU HA H 1 4.03 0.02 . 1 . . . . 17 LEU HA . 6621 1 179 . 1 1 17 17 LEU HB2 H 1 2.26 0.02 . 2 . . . . 17 LEU HB2 . 6621 1 180 . 1 1 17 17 LEU HB3 H 1 1.60 0.02 . 2 . . . . 17 LEU HB3 . 6621 1 181 . 1 1 17 17 LEU HG H 1 1.62 0.02 . 1 . . . . 17 LEU HG . 6621 1 182 . 1 1 17 17 LEU HD11 H 1 0.87 0.02 . 2 . . . . 17 LEU HD1 . 6621 1 183 . 1 1 17 17 LEU HD12 H 1 0.87 0.02 . 2 . . . . 17 LEU HD1 . 6621 1 184 . 1 1 17 17 LEU HD13 H 1 0.87 0.02 . 2 . . . . 17 LEU HD1 . 6621 1 185 . 1 1 17 17 LEU HD21 H 1 0.86 0.02 . 2 . . . . 17 LEU HD2 . 6621 1 186 . 1 1 17 17 LEU HD22 H 1 0.86 0.02 . 2 . . . . 17 LEU HD2 . 6621 1 187 . 1 1 17 17 LEU HD23 H 1 0.86 0.02 . 2 . . . . 17 LEU HD2 . 6621 1 188 . 1 1 17 17 LEU CA C 13 57.96 0.15 . 1 . . . . 17 LEU CA . 6621 1 189 . 1 1 17 17 LEU CB C 13 40.69 0.15 . 1 . . . . 17 LEU CB . 6621 1 190 . 1 1 17 17 LEU CG C 13 26.75 0.15 . 1 . . . . 17 LEU CG . 6621 1 191 . 1 1 17 17 LEU CD1 C 13 23.96 0.15 . 2 . . . . 17 LEU CD1 . 6621 1 192 . 1 1 17 17 LEU CD2 C 13 23.16 0.15 . 2 . . . . 17 LEU CD2 . 6621 1 193 . 1 1 17 17 LEU N N 15 124.02 0.15 . 1 . . . . 17 LEU N . 6621 1 194 . 1 1 18 18 LEU H H 1 8.58 0.02 . 1 . . . . 18 LEU H . 6621 1 195 . 1 1 18 18 LEU HA H 1 3.94 0.02 . 1 . . . . 18 LEU HA . 6621 1 196 . 1 1 18 18 LEU HB2 H 1 2.06 0.02 . 2 . . . . 18 LEU HB2 . 6621 1 197 . 1 1 18 18 LEU HB3 H 1 1.66 0.02 . 2 . . . . 18 LEU HB3 . 6621 1 198 . 1 1 18 18 LEU HG H 1 1.62 0.02 . 1 . . . . 18 LEU HG . 6621 1 199 . 1 1 18 18 LEU HD11 H 1 0.99 0.02 . 2 . . . . 18 LEU HD1 . 6621 1 200 . 1 1 18 18 LEU HD12 H 1 0.99 0.02 . 2 . . . . 18 LEU HD1 . 6621 1 201 . 1 1 18 18 LEU HD13 H 1 0.99 0.02 . 2 . . . . 18 LEU HD1 . 6621 1 202 . 1 1 18 18 LEU HD21 H 1 0.92 0.02 . 2 . . . . 18 LEU HD2 . 6621 1 203 . 1 1 18 18 LEU HD22 H 1 0.92 0.02 . 2 . . . . 18 LEU HD2 . 6621 1 204 . 1 1 18 18 LEU HD23 H 1 0.92 0.02 . 2 . . . . 18 LEU HD2 . 6621 1 205 . 1 1 18 18 LEU CA C 13 58.89 0.15 . 1 . . . . 18 LEU CA . 6621 1 206 . 1 1 18 18 LEU CB C 13 41.49 0.15 . 1 . . . . 18 LEU CB . 6621 1 207 . 1 1 18 18 LEU CG C 13 26.75 0.15 . 1 . . . . 18 LEU CG . 6621 1 208 . 1 1 18 18 LEU CD1 C 13 25.02 0.15 . 2 . . . . 18 LEU CD1 . 6621 1 209 . 1 1 18 18 LEU CD2 C 13 25.55 0.15 . 2 . . . . 18 LEU CD2 . 6621 1 210 . 1 1 18 18 LEU N N 15 121.46 0.15 . 1 . . . . 18 LEU N . 6621 1 211 . 1 1 19 19 LEU H H 1 7.98 0.02 . 1 . . . . 19 LEU H . 6621 1 212 . 1 1 19 19 LEU HA H 1 4.15 0.02 . 1 . . . . 19 LEU HA . 6621 1 213 . 1 1 19 19 LEU HB2 H 1 1.79 0.02 . 1 . . . . 19 LEU HB2 . 6621 1 214 . 1 1 19 19 LEU HB3 H 1 1.79 0.02 . 1 . . . . 19 LEU HB3 . 6621 1 215 . 1 1 19 19 LEU HG H 1 1.55 0.02 . 1 . . . . 19 LEU HG . 6621 1 216 . 1 1 19 19 LEU HD11 H 1 0.97 0.02 . 2 . . . . 19 LEU HD1 . 6621 1 217 . 1 1 19 19 LEU HD12 H 1 0.97 0.02 . 2 . . . . 19 LEU HD1 . 6621 1 218 . 1 1 19 19 LEU HD13 H 1 0.97 0.02 . 2 . . . . 19 LEU HD1 . 6621 1 219 . 1 1 19 19 LEU HD21 H 1 0.96 0.02 . 2 . . . . 19 LEU HD2 . 6621 1 220 . 1 1 19 19 LEU HD22 H 1 0.96 0.02 . 2 . . . . 19 LEU HD2 . 6621 1 221 . 1 1 19 19 LEU HD23 H 1 0.96 0.02 . 2 . . . . 19 LEU HD2 . 6621 1 222 . 1 1 19 19 LEU CA C 13 56.90 0.15 . 1 . . . . 19 LEU CA . 6621 1 223 . 1 1 19 19 LEU CB C 13 40.96 0.15 . 1 . . . . 19 LEU CB . 6621 1 224 . 1 1 19 19 LEU CG C 13 26.75 0.15 . 1 . . . . 19 LEU CG . 6621 1 225 . 1 1 19 19 LEU CD1 C 13 23.16 0.15 . 2 . . . . 19 LEU CD1 . 6621 1 226 . 1 1 19 19 LEU CD2 C 13 23.43 0.15 . 2 . . . . 19 LEU CD2 . 6621 1 227 . 1 1 19 19 LEU N N 15 120.55 0.15 . 1 . . . . 19 LEU N . 6621 1 228 . 1 1 20 20 ASP H H 1 8.17 0.02 . 1 . . . . 20 ASP H . 6621 1 229 . 1 1 20 20 ASP HA H 1 4.40 0.02 . 1 . . . . 20 ASP HA . 6621 1 230 . 1 1 20 20 ASP CA C 13 57.56 0.15 . 1 . . . . 20 ASP CA . 6621 1 231 . 1 1 20 20 ASP N N 15 120.29 0.15 . 1 . . . . 20 ASP N . 6621 1 232 . 1 1 21 21 LEU H H 1 8.40 0.02 . 1 . . . . 21 LEU H . 6621 1 233 . 1 1 21 21 LEU HA H 1 3.93 0.02 . 1 . . . . 21 LEU HA . 6621 1 234 . 1 1 21 21 LEU HB2 H 1 2.05 0.02 . 2 . . . . 21 LEU HB2 . 6621 1 235 . 1 1 21 21 LEU HB3 H 1 1.60 0.02 . 2 . . . . 21 LEU HB3 . 6621 1 236 . 1 1 21 21 LEU HG H 1 1.62 0.02 . 1 . . . . 21 LEU HG . 6621 1 237 . 1 1 21 21 LEU HD11 H 1 0.80 0.02 . 2 . . . . 21 LEU HD1 . 6621 1 238 . 1 1 21 21 LEU HD12 H 1 0.80 0.02 . 2 . . . . 21 LEU HD1 . 6621 1 239 . 1 1 21 21 LEU HD13 H 1 0.80 0.02 . 2 . . . . 21 LEU HD1 . 6621 1 240 . 1 1 21 21 LEU HD21 H 1 0.66 0.02 . 2 . . . . 21 LEU HD2 . 6621 1 241 . 1 1 21 21 LEU HD22 H 1 0.66 0.02 . 2 . . . . 21 LEU HD2 . 6621 1 242 . 1 1 21 21 LEU HD23 H 1 0.66 0.02 . 2 . . . . 21 LEU HD2 . 6621 1 243 . 1 1 21 21 LEU CA C 13 57.96 0.15 . 1 . . . . 21 LEU CA . 6621 1 244 . 1 1 21 21 LEU CB C 13 41.75 0.15 . 1 . . . . 21 LEU CB . 6621 1 245 . 1 1 21 21 LEU CG C 13 26.75 0.15 . 1 . . . . 21 LEU CG . 6621 1 246 . 1 1 21 21 LEU CD1 C 13 26.08 0.15 . 2 . . . . 21 LEU CD1 . 6621 1 247 . 1 1 21 21 LEU CD2 C 13 20.77 0.15 . 2 . . . . 21 LEU CD2 . 6621 1 248 . 1 1 21 21 LEU N N 15 119.80 0.15 . 1 . . . . 21 LEU N . 6621 1 249 . 1 1 22 22 GLN H H 1 8.85 0.02 . 1 . . . . 22 GLN H . 6621 1 250 . 1 1 22 22 GLN HA H 1 3.92 0.02 . 1 . . . . 22 GLN HA . 6621 1 251 . 1 1 22 22 GLN HB2 H 1 1.97 0.02 . 1 . . . . 22 GLN HB2 . 6621 1 252 . 1 1 22 22 GLN HB3 H 1 1.97 0.02 . 1 . . . . 22 GLN HB3 . 6621 1 253 . 1 1 22 22 GLN HG2 H 1 2.54 0.02 . 2 . . . . 22 GLN HG2 . 6621 1 254 . 1 1 22 22 GLN HG3 H 1 2.32 0.02 . 2 . . . . 22 GLN HG3 . 6621 1 255 . 1 1 22 22 GLN HE21 H 1 7.04 0.02 . 2 . . . . 22 GLN HE21 . 6621 1 256 . 1 1 22 22 GLN HE22 H 1 6.65 0.02 . 2 . . . . 22 GLN HE22 . 6621 1 257 . 1 1 22 22 GLN CA C 13 59.02 0.15 . 1 . . . . 22 GLN CA . 6621 1 258 . 1 1 22 22 GLN CB C 13 28.47 0.15 . 1 . . . . 22 GLN CB . 6621 1 259 . 1 1 22 22 GLN CG C 13 33.79 0.15 . 1 . . . . 22 GLN CG . 6621 1 260 . 1 1 22 22 GLN N N 15 119.94 0.15 . 1 . . . . 22 GLN N . 6621 1 261 . 1 1 22 22 GLN NE2 N 15 111.25 0.15 . 1 . . . . 22 GLN NE2 . 6621 1 262 . 1 1 23 23 MET H H 1 8.63 0.02 . 1 . . . . 23 MET H . 6621 1 263 . 1 1 23 23 MET HA H 1 4.15 0.02 . 1 . . . . 23 MET HA . 6621 1 264 . 1 1 23 23 MET HB2 H 1 2.42 0.02 . 2 . . . . 23 MET HB2 . 6621 1 265 . 1 1 23 23 MET HB3 H 1 2.14 0.02 . 2 . . . . 23 MET HB3 . 6621 1 266 . 1 1 23 23 MET HG2 H 1 2.87 0.02 . 2 . . . . 23 MET HG2 . 6621 1 267 . 1 1 23 23 MET HG3 H 1 2.58 0.02 . 2 . . . . 23 MET HG3 . 6621 1 268 . 1 1 23 23 MET HE1 H 1 1.82 0.02 . 1 . . . . 23 MET HE . 6621 1 269 . 1 1 23 23 MET HE2 H 1 1.82 0.02 . 1 . . . . 23 MET HE . 6621 1 270 . 1 1 23 23 MET HE3 H 1 1.82 0.02 . 1 . . . . 23 MET HE . 6621 1 271 . 1 1 23 23 MET CA C 13 58.89 0.15 . 1 . . . . 23 MET CA . 6621 1 272 . 1 1 23 23 MET CB C 13 32.86 0.15 . 1 . . . . 23 MET CB . 6621 1 273 . 1 1 23 23 MET CG C 13 31.93 0.15 . 1 . . . . 23 MET CG . 6621 1 274 . 1 1 23 23 MET CE C 13 17.05 0.15 . 1 . . . . 23 MET CE . 6621 1 275 . 1 1 23 23 MET N N 15 120.70 0.15 . 1 . . . . 23 MET N . 6621 1 276 . 1 1 24 24 ILE H H 1 7.72 0.02 . 1 . . . . 24 ILE H . 6621 1 277 . 1 1 24 24 ILE HA H 1 3.68 0.02 . 1 . . . . 24 ILE HA . 6621 1 278 . 1 1 24 24 ILE HB H 1 1.96 0.02 . 1 . . . . 24 ILE HB . 6621 1 279 . 1 1 24 24 ILE HG12 H 1 2.23 0.02 . 2 . . . . 24 ILE HG12 . 6621 1 280 . 1 1 24 24 ILE HG13 H 1 0.74 0.02 . 2 . . . . 24 ILE HG13 . 6621 1 281 . 1 1 24 24 ILE HG21 H 1 0.87 0.02 . 1 . . . . 24 ILE HG2 . 6621 1 282 . 1 1 24 24 ILE HG22 H 1 0.87 0.02 . 1 . . . . 24 ILE HG2 . 6621 1 283 . 1 1 24 24 ILE HG23 H 1 0.87 0.02 . 1 . . . . 24 ILE HG2 . 6621 1 284 . 1 1 24 24 ILE HD11 H 1 0.78 0.02 . 1 . . . . 24 ILE HD1 . 6621 1 285 . 1 1 24 24 ILE HD12 H 1 0.78 0.02 . 1 . . . . 24 ILE HD1 . 6621 1 286 . 1 1 24 24 ILE HD13 H 1 0.78 0.02 . 1 . . . . 24 ILE HD1 . 6621 1 287 . 1 1 24 24 ILE CA C 13 65.53 0.15 . 1 . . . . 24 ILE CA . 6621 1 288 . 1 1 24 24 ILE CB C 13 37.64 0.15 . 1 . . . . 24 ILE CB . 6621 1 289 . 1 1 24 24 ILE CG1 C 13 28.74 0.15 . 1 . . . . 24 ILE CG1 . 6621 1 290 . 1 1 24 24 ILE CG2 C 13 18.65 0.15 . 1 . . . . 24 ILE CG2 . 6621 1 291 . 1 1 24 24 ILE CD1 C 13 13.07 0.15 . 1 . . . . 24 ILE CD1 . 6621 1 292 . 1 1 24 24 ILE N N 15 120.57 0.15 . 1 . . . . 24 ILE N . 6621 1 293 . 1 1 25 25 LEU H H 1 8.18 0.02 . 1 . . . . 25 LEU H . 6621 1 294 . 1 1 25 25 LEU HA H 1 3.84 0.02 . 1 . . . . 25 LEU HA . 6621 1 295 . 1 1 25 25 LEU HB2 H 1 1.95 0.02 . 2 . . . . 25 LEU HB2 . 6621 1 296 . 1 1 25 25 LEU HB3 H 1 1.43 0.02 . 2 . . . . 25 LEU HB3 . 6621 1 297 . 1 1 25 25 LEU HG H 1 1.55 0.02 . 1 . . . . 25 LEU HG . 6621 1 298 . 1 1 25 25 LEU HD11 H 1 0.91 0.02 . 2 . . . . 25 LEU HD1 . 6621 1 299 . 1 1 25 25 LEU HD12 H 1 0.91 0.02 . 2 . . . . 25 LEU HD1 . 6621 1 300 . 1 1 25 25 LEU HD13 H 1 0.91 0.02 . 2 . . . . 25 LEU HD1 . 6621 1 301 . 1 1 25 25 LEU HD21 H 1 0.87 0.02 . 2 . . . . 25 LEU HD2 . 6621 1 302 . 1 1 25 25 LEU HD22 H 1 0.87 0.02 . 2 . . . . 25 LEU HD2 . 6621 1 303 . 1 1 25 25 LEU HD23 H 1 0.87 0.02 . 2 . . . . 25 LEU HD2 . 6621 1 304 . 1 1 25 25 LEU CA C 13 57.83 0.15 . 1 . . . . 25 LEU CA . 6621 1 305 . 1 1 25 25 LEU CB C 13 41.22 0.15 . 1 . . . . 25 LEU CB . 6621 1 306 . 1 1 25 25 LEU CG C 13 26.75 0.15 . 1 . . . . 25 LEU CG . 6621 1 307 . 1 1 25 25 LEU CD1 C 13 22.36 0.15 . 2 . . . . 25 LEU CD1 . 6621 1 308 . 1 1 25 25 LEU CD2 C 13 25.82 0.15 . 2 . . . . 25 LEU CD2 . 6621 1 309 . 1 1 25 25 LEU N N 15 121.51 0.15 . 1 . . . . 25 LEU N . 6621 1 310 . 1 1 26 26 ASN H H 1 8.78 0.02 . 1 . . . . 26 ASN H . 6621 1 311 . 1 1 26 26 ASN HA H 1 4.40 0.02 . 1 . . . . 26 ASN HA . 6621 1 312 . 1 1 26 26 ASN HB2 H 1 2.85 0.02 . 1 . . . . 26 ASN HB2 . 6621 1 313 . 1 1 26 26 ASN HB3 H 1 2.85 0.02 . 1 . . . . 26 ASN HB3 . 6621 1 314 . 1 1 26 26 ASN HD21 H 1 7.51 0.02 . 2 . . . . 26 ASN HD21 . 6621 1 315 . 1 1 26 26 ASN HD22 H 1 6.93 0.02 . 2 . . . . 26 ASN HD22 . 6621 1 316 . 1 1 26 26 ASN CA C 13 55.17 0.15 . 1 . . . . 26 ASN CA . 6621 1 317 . 1 1 26 26 ASN CB C 13 38.04 0.15 . 1 . . . . 26 ASN CB . 6621 1 318 . 1 1 26 26 ASN N N 15 117.21 0.15 . 1 . . . . 26 ASN N . 6621 1 319 . 1 1 26 26 ASN ND2 N 15 112.67 0.15 . 1 . . . . 26 ASN ND2 . 6621 1 320 . 1 1 27 27 GLY H H 1 7.73 0.02 . 1 . . . . 27 GLY H . 6621 1 321 . 1 1 27 27 GLY HA2 H 1 3.85 0.02 . 2 . . . . 27 GLY HA2 . 6621 1 322 . 1 1 27 27 GLY HA3 H 1 3.23 0.02 . 2 . . . . 27 GLY HA3 . 6621 1 323 . 1 1 27 27 GLY CA C 13 46.00 0.15 . 1 . . . . 27 GLY CA . 6621 1 324 . 1 1 27 27 GLY N N 15 107.47 0.15 . 1 . . . . 27 GLY N . 6621 1 325 . 1 1 28 28 ILE H H 1 7.77 0.02 . 1 . . . . 28 ILE H . 6621 1 326 . 1 1 28 28 ILE HA H 1 4.14 0.02 . 1 . . . . 28 ILE HA . 6621 1 327 . 1 1 28 28 ILE HB H 1 1.91 0.02 . 1 . . . . 28 ILE HB . 6621 1 328 . 1 1 28 28 ILE HG12 H 1 1.57 0.02 . 2 . . . . 28 ILE HG12 . 6621 1 329 . 1 1 28 28 ILE HG13 H 1 1.29 0.02 . 2 . . . . 28 ILE HG13 . 6621 1 330 . 1 1 28 28 ILE HG21 H 1 0.83 0.02 . 1 . . . . 28 ILE HG2 . 6621 1 331 . 1 1 28 28 ILE HG22 H 1 0.83 0.02 . 1 . . . . 28 ILE HG2 . 6621 1 332 . 1 1 28 28 ILE HG23 H 1 0.83 0.02 . 1 . . . . 28 ILE HG2 . 6621 1 333 . 1 1 28 28 ILE HD11 H 1 0.66 0.02 . 1 . . . . 28 ILE HD1 . 6621 1 334 . 1 1 28 28 ILE HD12 H 1 0.66 0.02 . 1 . . . . 28 ILE HD1 . 6621 1 335 . 1 1 28 28 ILE HD13 H 1 0.66 0.02 . 1 . . . . 28 ILE HD1 . 6621 1 336 . 1 1 28 28 ILE CA C 13 61.94 0.15 . 1 . . . . 28 ILE CA . 6621 1 337 . 1 1 28 28 ILE CB C 13 38.17 0.15 . 1 . . . . 28 ILE CB . 6621 1 338 . 1 1 28 28 ILE CG1 C 13 27.41 0.15 . 1 . . . . 28 ILE CG1 . 6621 1 339 . 1 1 28 28 ILE CG2 C 13 16.79 0.15 . 1 . . . . 28 ILE CG2 . 6621 1 340 . 1 1 28 28 ILE CD1 C 13 13.33 0.15 . 1 . . . . 28 ILE CD1 . 6621 1 341 . 1 1 28 28 ILE N N 15 117.30 0.15 . 1 . . . . 28 ILE N . 6621 1 342 . 1 1 29 29 ASN H H 1 8.19 0.02 . 1 . . . . 29 ASN H . 6621 1 343 . 1 1 29 29 ASN HA H 1 4.75 0.02 . 1 . . . . 29 ASN HA . 6621 1 344 . 1 1 29 29 ASN HB2 H 1 2.86 0.02 . 2 . . . . 29 ASN HB2 . 6621 1 345 . 1 1 29 29 ASN HB3 H 1 2.62 0.02 . 2 . . . . 29 ASN HB3 . 6621 1 346 . 1 1 29 29 ASN HD21 H 1 7.37 0.02 . 2 . . . . 29 ASN HD21 . 6621 1 347 . 1 1 29 29 ASN HD22 H 1 6.50 0.02 . 2 . . . . 29 ASN HD22 . 6621 1 348 . 1 1 29 29 ASN CA C 13 53.18 0.15 . 1 . . . . 29 ASN CA . 6621 1 349 . 1 1 29 29 ASN CB C 13 38.17 0.15 . 1 . . . . 29 ASN CB . 6621 1 350 . 1 1 29 29 ASN N N 15 120.15 0.15 . 1 . . . . 29 ASN N . 6621 1 351 . 1 1 29 29 ASN ND2 N 15 110.33 0.15 . 1 . . . . 29 ASN ND2 . 6621 1 352 . 1 1 30 30 ASN H H 1 7.76 0.02 . 1 . . . . 30 ASN H . 6621 1 353 . 1 1 30 30 ASN HA H 1 4.73 0.02 . 1 . . . . 30 ASN HA . 6621 1 354 . 1 1 30 30 ASN HB2 H 1 2.72 0.02 . 1 . . . . 30 ASN HB2 . 6621 1 355 . 1 1 30 30 ASN HB3 H 1 2.72 0.02 . 1 . . . . 30 ASN HB3 . 6621 1 356 . 1 1 30 30 ASN HD21 H 1 7.42 0.02 . 2 . . . . 30 ASN HD21 . 6621 1 357 . 1 1 30 30 ASN HD22 H 1 6.77 0.02 . 2 . . . . 30 ASN HD22 . 6621 1 358 . 1 1 30 30 ASN CA C 13 52.91 0.15 . 1 . . . . 30 ASN CA . 6621 1 359 . 1 1 30 30 ASN CB C 13 39.36 0.15 . 1 . . . . 30 ASN CB . 6621 1 360 . 1 1 30 30 ASN N N 15 118.04 0.15 . 1 . . . . 30 ASN N . 6621 1 361 . 1 1 30 30 ASN ND2 N 15 113.26 0.15 . 1 . . . . 30 ASN ND2 . 6621 1 362 . 1 1 31 31 TYR H H 1 7.87 0.02 . 1 . . . . 31 TYR H . 6621 1 363 . 1 1 31 31 TYR HA H 1 4.52 0.02 . 1 . . . . 31 TYR HA . 6621 1 364 . 1 1 31 31 TYR HB2 H 1 3.12 0.02 . 2 . . . . 31 TYR HB2 . 6621 1 365 . 1 1 31 31 TYR HB3 H 1 3.00 0.02 . 2 . . . . 31 TYR HB3 . 6621 1 366 . 1 1 31 31 TYR CA C 13 57.43 0.15 . 1 . . . . 31 TYR CA . 6621 1 367 . 1 1 31 31 TYR CB C 13 38.04 0.15 . 1 . . . . 31 TYR CB . 6621 1 368 . 1 1 31 31 TYR N N 15 121.76 0.15 . 1 . . . . 31 TYR N . 6621 1 369 . 1 1 32 32 LYS H H 1 8.14 0.02 . 1 . . . . 32 LYS H . 6621 1 370 . 1 1 32 32 LYS HA H 1 4.21 0.02 . 1 . . . . 32 LYS HA . 6621 1 371 . 1 1 32 32 LYS HB2 H 1 1.86 0.02 . 2 . . . . 32 LYS HB2 . 6621 1 372 . 1 1 32 32 LYS HB3 H 1 1.68 0.02 . 2 . . . . 32 LYS HB3 . 6621 1 373 . 1 1 32 32 LYS HG2 H 1 1.27 0.02 . 1 . . . . 32 LYS HG2 . 6621 1 374 . 1 1 32 32 LYS HG3 H 1 1.27 0.02 . 1 . . . . 32 LYS HG3 . 6621 1 375 . 1 1 32 32 LYS HD2 H 1 1.66 0.02 . 1 . . . . 32 LYS HD2 . 6621 1 376 . 1 1 32 32 LYS HD3 H 1 1.66 0.02 . 1 . . . . 32 LYS HD3 . 6621 1 377 . 1 1 32 32 LYS HE2 H 1 2.96 0.02 . 1 . . . . 32 LYS HE2 . 6621 1 378 . 1 1 32 32 LYS HE3 H 1 2.96 0.02 . 1 . . . . 32 LYS HE3 . 6621 1 379 . 1 1 32 32 LYS CA C 13 55.70 0.15 . 1 . . . . 32 LYS CA . 6621 1 380 . 1 1 32 32 LYS CB C 13 31.13 0.15 . 1 . . . . 32 LYS CB . 6621 1 381 . 1 1 32 32 LYS CG C 13 24.49 0.15 . 1 . . . . 32 LYS CG . 6621 1 382 . 1 1 32 32 LYS CD C 13 28.74 0.15 . 1 . . . . 32 LYS CD . 6621 1 383 . 1 1 32 32 LYS CE C 13 41.89 0.15 . 1 . . . . 32 LYS CE . 6621 1 384 . 1 1 32 32 LYS N N 15 122.35 0.15 . 1 . . . . 32 LYS N . 6621 1 385 . 1 1 33 33 ASN H H 1 7.80 0.02 . 1 . . . . 33 ASN H . 6621 1 386 . 1 1 33 33 ASN HA H 1 4.96 0.02 . 1 . . . . 33 ASN HA . 6621 1 387 . 1 1 33 33 ASN HB2 H 1 2.91 0.02 . 2 . . . . 33 ASN HB2 . 6621 1 388 . 1 1 33 33 ASN HB3 H 1 2.71 0.02 . 2 . . . . 33 ASN HB3 . 6621 1 389 . 1 1 33 33 ASN HD21 H 1 8.07 0.02 . 2 . . . . 33 ASN HD21 . 6621 1 390 . 1 1 33 33 ASN HD22 H 1 6.83 0.02 . 2 . . . . 33 ASN HD22 . 6621 1 391 . 1 1 33 33 ASN CA C 13 50.52 0.15 . 1 . . . . 33 ASN CA . 6621 1 392 . 1 1 33 33 ASN CB C 13 39.36 0.15 . 1 . . . . 33 ASN CB . 6621 1 393 . 1 1 33 33 ASN N N 15 120.89 0.15 . 1 . . . . 33 ASN N . 6621 1 394 . 1 1 33 33 ASN ND2 N 15 113.84 0.15 . 1 . . . . 33 ASN ND2 . 6621 1 395 . 1 1 34 34 PRO HA H 1 4.50 0.02 . 1 . . . . 34 PRO HA . 6621 1 396 . 1 1 34 34 PRO HB2 H 1 2.41 0.02 . 2 . . . . 34 PRO HB2 . 6621 1 397 . 1 1 34 34 PRO HB3 H 1 2.02 0.02 . 2 . . . . 34 PRO HB3 . 6621 1 398 . 1 1 34 34 PRO HG2 H 1 2.05 0.02 . 1 . . . . 34 PRO HG2 . 6621 1 399 . 1 1 34 34 PRO HG3 H 1 2.05 0.02 . 1 . . . . 34 PRO HG3 . 6621 1 400 . 1 1 34 34 PRO HD2 H 1 3.96 0.02 . 2 . . . . 34 PRO HD2 . 6621 1 401 . 1 1 34 34 PRO HD3 H 1 3.87 0.02 . 2 . . . . 34 PRO HD3 . 6621 1 402 . 1 1 34 34 PRO CA C 13 63.93 0.15 . 1 . . . . 34 PRO CA . 6621 1 403 . 1 1 34 34 PRO CB C 13 31.93 0.15 . 1 . . . . 34 PRO CB . 6621 1 404 . 1 1 34 34 PRO CG C 13 26.75 0.15 . 1 . . . . 34 PRO CG . 6621 1 405 . 1 1 34 34 PRO CD C 13 50.78 0.15 . 1 . . . . 34 PRO CD . 6621 1 406 . 1 1 35 35 LYS H H 1 8.12 0.02 . 1 . . . . 35 LYS H . 6621 1 407 . 1 1 35 35 LYS HA H 1 4.45 0.02 . 1 . . . . 35 LYS HA . 6621 1 408 . 1 1 35 35 LYS HB2 H 1 1.86 0.02 . 1 . . . . 35 LYS HB2 . 6621 1 409 . 1 1 35 35 LYS HB3 H 1 1.86 0.02 . 1 . . . . 35 LYS HB3 . 6621 1 410 . 1 1 35 35 LYS HG2 H 1 1.42 0.02 . 1 . . . . 35 LYS HG2 . 6621 1 411 . 1 1 35 35 LYS HG3 H 1 1.42 0.02 . 1 . . . . 35 LYS HG3 . 6621 1 412 . 1 1 35 35 LYS HD2 H 1 1.66 0.02 . 1 . . . . 35 LYS HD2 . 6621 1 413 . 1 1 35 35 LYS HD3 H 1 1.66 0.02 . 1 . . . . 35 LYS HD3 . 6621 1 414 . 1 1 35 35 LYS HE2 H 1 3.03 0.02 . 1 . . . . 35 LYS HE2 . 6621 1 415 . 1 1 35 35 LYS HE3 H 1 3.03 0.02 . 1 . . . . 35 LYS HE3 . 6621 1 416 . 1 1 35 35 LYS CA C 13 55.97 0.15 . 1 . . . . 35 LYS CA . 6621 1 417 . 1 1 35 35 LYS CB C 13 31.93 0.15 . 1 . . . . 35 LYS CB . 6621 1 418 . 1 1 35 35 LYS CG C 13 24.49 0.15 . 1 . . . . 35 LYS CG . 6621 1 419 . 1 1 35 35 LYS CD C 13 28.74 0.15 . 1 . . . . 35 LYS CD . 6621 1 420 . 1 1 35 35 LYS CE C 13 42.28 0.15 . 1 . . . . 35 LYS CE . 6621 1 421 . 1 1 35 35 LYS N N 15 117.93 0.15 . 1 . . . . 35 LYS N . 6621 1 422 . 1 1 36 36 LEU H H 1 7.73 0.02 . 1 . . . . 36 LEU H . 6621 1 423 . 1 1 36 36 LEU HA H 1 4.24 0.02 . 1 . . . . 36 LEU HA . 6621 1 424 . 1 1 36 36 LEU HB2 H 1 1.92 0.02 . 2 . . . . 36 LEU HB2 . 6621 1 425 . 1 1 36 36 LEU HB3 H 1 1.76 0.02 . 2 . . . . 36 LEU HB3 . 6621 1 426 . 1 1 36 36 LEU HG H 1 1.75 0.02 . 1 . . . . 36 LEU HG . 6621 1 427 . 1 1 36 36 LEU HD11 H 1 0.96 0.02 . 2 . . . . 36 LEU HD1 . 6621 1 428 . 1 1 36 36 LEU HD12 H 1 0.96 0.02 . 2 . . . . 36 LEU HD1 . 6621 1 429 . 1 1 36 36 LEU HD13 H 1 0.96 0.02 . 2 . . . . 36 LEU HD1 . 6621 1 430 . 1 1 36 36 LEU HD21 H 1 0.95 0.02 . 2 . . . . 36 LEU HD2 . 6621 1 431 . 1 1 36 36 LEU HD22 H 1 0.95 0.02 . 2 . . . . 36 LEU HD2 . 6621 1 432 . 1 1 36 36 LEU HD23 H 1 0.95 0.02 . 2 . . . . 36 LEU HD2 . 6621 1 433 . 1 1 36 36 LEU CA C 13 57.56 0.15 . 1 . . . . 36 LEU CA . 6621 1 434 . 1 1 36 36 LEU CB C 13 41.22 0.15 . 1 . . . . 36 LEU CB . 6621 1 435 . 1 1 36 36 LEU CG C 13 26.75 0.15 . 1 . . . . 36 LEU CG . 6621 1 436 . 1 1 36 36 LEU CD1 C 13 24.49 0.15 . 2 . . . . 36 LEU CD1 . 6621 1 437 . 1 1 36 36 LEU CD2 C 13 22.36 0.15 . 2 . . . . 36 LEU CD2 . 6621 1 438 . 1 1 36 36 LEU N N 15 123.10 0.15 . 1 . . . . 36 LEU N . 6621 1 439 . 1 1 37 37 THR H H 1 8.03 0.02 . 1 . . . . 37 THR H . 6621 1 440 . 1 1 37 37 THR HA H 1 3.93 0.02 . 1 . . . . 37 THR HA . 6621 1 441 . 1 1 37 37 THR HB H 1 4.22 0.02 . 1 . . . . 37 THR HB . 6621 1 442 . 1 1 37 37 THR HG21 H 1 1.27 0.02 . 1 . . . . 37 THR HG2 . 6621 1 443 . 1 1 37 37 THR HG22 H 1 1.27 0.02 . 1 . . . . 37 THR HG2 . 6621 1 444 . 1 1 37 37 THR HG23 H 1 1.27 0.02 . 1 . . . . 37 THR HG2 . 6621 1 445 . 1 1 37 37 THR CA C 13 65.53 0.15 . 1 . . . . 37 THR CA . 6621 1 446 . 1 1 37 37 THR CB C 13 68.05 0.15 . 1 . . . . 37 THR CB . 6621 1 447 . 1 1 37 37 THR CG2 C 13 21.04 0.15 . 1 . . . . 37 THR CG2 . 6621 1 448 . 1 1 37 37 THR N N 15 112.82 0.15 . 1 . . . . 37 THR N . 6621 1 449 . 1 1 38 38 ARG H H 1 7.71 0.02 . 1 . . . . 38 ARG H . 6621 1 450 . 1 1 38 38 ARG HA H 1 4.24 0.02 . 1 . . . . 38 ARG HA . 6621 1 451 . 1 1 38 38 ARG HB2 H 1 1.97 0.02 . 1 . . . . 38 ARG HB2 . 6621 1 452 . 1 1 38 38 ARG HB3 H 1 1.97 0.02 . 1 . . . . 38 ARG HB3 . 6621 1 453 . 1 1 38 38 ARG HG2 H 1 1.74 0.02 . 2 . . . . 38 ARG HG2 . 6621 1 454 . 1 1 38 38 ARG HG3 H 1 1.63 0.02 . 2 . . . . 38 ARG HG3 . 6621 1 455 . 1 1 38 38 ARG HD2 H 1 3.26 0.02 . 2 . . . . 38 ARG HD2 . 6621 1 456 . 1 1 38 38 ARG HD3 H 1 3.20 0.02 . 2 . . . . 38 ARG HD3 . 6621 1 457 . 1 1 38 38 ARG CA C 13 57.56 0.15 . 1 . . . . 38 ARG CA . 6621 1 458 . 1 1 38 38 ARG CB C 13 29.27 0.15 . 1 . . . . 38 ARG CB . 6621 1 459 . 1 1 38 38 ARG CG C 13 26.75 0.15 . 1 . . . . 38 ARG CG . 6621 1 460 . 1 1 38 38 ARG CD C 13 42.68 0.15 . 1 . . . . 38 ARG CD . 6621 1 461 . 1 1 38 38 ARG N N 15 121.47 0.15 . 1 . . . . 38 ARG N . 6621 1 462 . 1 1 39 39 MET H H 1 8.38 0.02 . 1 . . . . 39 MET H . 6621 1 463 . 1 1 39 39 MET HA H 1 4.15 0.02 . 1 . . . . 39 MET HA . 6621 1 464 . 1 1 39 39 MET HB2 H 1 2.44 0.02 . 2 . . . . 39 MET HB2 . 6621 1 465 . 1 1 39 39 MET HB3 H 1 2.13 0.02 . 2 . . . . 39 MET HB3 . 6621 1 466 . 1 1 39 39 MET HG2 H 1 2.73 0.02 . 2 . . . . 39 MET HG2 . 6621 1 467 . 1 1 39 39 MET HG3 H 1 2.54 0.02 . 2 . . . . 39 MET HG3 . 6621 1 468 . 1 1 39 39 MET HE1 H 1 1.97 0.02 . 1 . . . . 39 MET HE . 6621 1 469 . 1 1 39 39 MET HE2 H 1 1.97 0.02 . 1 . . . . 39 MET HE . 6621 1 470 . 1 1 39 39 MET HE3 H 1 1.97 0.02 . 1 . . . . 39 MET HE . 6621 1 471 . 1 1 39 39 MET CA C 13 58.89 0.15 . 1 . . . . 39 MET CA . 6621 1 472 . 1 1 39 39 MET CB C 13 33.12 0.15 . 1 . . . . 39 MET CB . 6621 1 473 . 1 1 39 39 MET CG C 13 32.32 0.15 . 1 . . . . 39 MET CG . 6621 1 474 . 1 1 39 39 MET CE C 13 16.79 0.15 . 1 . . . . 39 MET CE . 6621 1 475 . 1 1 39 39 MET N N 15 120.68 0.15 . 1 . . . . 39 MET N . 6621 1 476 . 1 1 40 40 LEU H H 1 8.03 0.02 . 1 . . . . 40 LEU H . 6621 1 477 . 1 1 40 40 LEU HA H 1 4.57 0.02 . 1 . . . . 40 LEU HA . 6621 1 478 . 1 1 40 40 LEU HB2 H 1 1.93 0.02 . 2 . . . . 40 LEU HB2 . 6621 1 479 . 1 1 40 40 LEU HB3 H 1 1.77 0.02 . 2 . . . . 40 LEU HB3 . 6621 1 480 . 1 1 40 40 LEU HG H 1 1.62 0.02 . 1 . . . . 40 LEU HG . 6621 1 481 . 1 1 40 40 LEU HD11 H 1 0.93 0.02 . 2 . . . . 40 LEU HD1 . 6621 1 482 . 1 1 40 40 LEU HD12 H 1 0.93 0.02 . 2 . . . . 40 LEU HD1 . 6621 1 483 . 1 1 40 40 LEU HD13 H 1 0.93 0.02 . 2 . . . . 40 LEU HD1 . 6621 1 484 . 1 1 40 40 LEU HD21 H 1 0.92 0.02 . 2 . . . . 40 LEU HD2 . 6621 1 485 . 1 1 40 40 LEU HD22 H 1 0.92 0.02 . 2 . . . . 40 LEU HD2 . 6621 1 486 . 1 1 40 40 LEU HD23 H 1 0.92 0.02 . 2 . . . . 40 LEU HD2 . 6621 1 487 . 1 1 40 40 LEU CA C 13 55.83 0.15 . 1 . . . . 40 LEU CA . 6621 1 488 . 1 1 40 40 LEU CB C 13 40.96 0.15 . 1 . . . . 40 LEU CB . 6621 1 489 . 1 1 40 40 LEU CG C 13 26.75 0.15 . 1 . . . . 40 LEU CG . 6621 1 490 . 1 1 40 40 LEU CD1 C 13 25.55 0.15 . 2 . . . . 40 LEU CD1 . 6621 1 491 . 1 1 40 40 LEU CD2 C 13 23.43 0.15 . 2 . . . . 40 LEU CD2 . 6621 1 492 . 1 1 40 40 LEU N N 15 118.35 0.15 . 1 . . . . 40 LEU N . 6621 1 493 . 1 1 41 41 THR H H 1 7.62 0.02 . 1 . . . . 41 THR H . 6621 1 494 . 1 1 41 41 THR HA H 1 4.23 0.02 . 1 . . . . 41 THR HA . 6621 1 495 . 1 1 41 41 THR HB H 1 4.20 0.02 . 1 . . . . 41 THR HB . 6621 1 496 . 1 1 41 41 THR HG21 H 1 1.25 0.02 . 1 . . . . 41 THR HG2 . 6621 1 497 . 1 1 41 41 THR HG22 H 1 1.25 0.02 . 1 . . . . 41 THR HG2 . 6621 1 498 . 1 1 41 41 THR HG23 H 1 1.25 0.02 . 1 . . . . 41 THR HG2 . 6621 1 499 . 1 1 41 41 THR CA C 13 62.61 0.15 . 1 . . . . 41 THR CA . 6621 1 500 . 1 1 41 41 THR CB C 13 69.64 0.15 . 1 . . . . 41 THR CB . 6621 1 501 . 1 1 41 41 THR CG2 C 13 20.51 0.15 . 1 . . . . 41 THR CG2 . 6621 1 502 . 1 1 41 41 THR N N 15 109.91 0.15 . 1 . . . . 41 THR N . 6621 1 503 . 1 1 42 42 PHE H H 1 7.03 0.02 . 1 . . . . 42 PHE H . 6621 1 504 . 1 1 42 42 PHE HA H 1 4.23 0.02 . 1 . . . . 42 PHE HA . 6621 1 505 . 1 1 42 42 PHE HB2 H 1 2.98 0.02 . 2 . . . . 42 PHE HB2 . 6621 1 506 . 1 1 42 42 PHE HB3 H 1 2.83 0.02 . 2 . . . . 42 PHE HB3 . 6621 1 507 . 1 1 42 42 PHE CA C 13 58.49 0.15 . 1 . . . . 42 PHE CA . 6621 1 508 . 1 1 42 42 PHE CB C 13 39.36 0.15 . 1 . . . . 42 PHE CB . 6621 1 509 . 1 1 42 42 PHE N N 15 122.57 0.15 . 1 . . . . 42 PHE N . 6621 1 510 . 1 1 43 43 LYS H H 1 8.31 0.02 . 1 . . . . 43 LYS H . 6621 1 511 . 1 1 43 43 LYS HA H 1 4.42 0.02 . 1 . . . . 43 LYS HA . 6621 1 512 . 1 1 43 43 LYS HB2 H 1 1.56 0.02 . 2 . . . . 43 LYS HB2 . 6621 1 513 . 1 1 43 43 LYS HB3 H 1 1.37 0.02 . 2 . . . . 43 LYS HB3 . 6621 1 514 . 1 1 43 43 LYS HG2 H 1 1.38 0.02 . 1 . . . . 43 LYS HG2 . 6621 1 515 . 1 1 43 43 LYS HG3 H 1 1.38 0.02 . 1 . . . . 43 LYS HG3 . 6621 1 516 . 1 1 43 43 LYS HD2 H 1 1.66 0.02 . 1 . . . . 43 LYS HD2 . 6621 1 517 . 1 1 43 43 LYS HD3 H 1 1.66 0.02 . 1 . . . . 43 LYS HD3 . 6621 1 518 . 1 1 43 43 LYS HE2 H 1 2.91 0.02 . 1 . . . . 43 LYS HE2 . 6621 1 519 . 1 1 43 43 LYS HE3 H 1 2.91 0.02 . 1 . . . . 43 LYS HE3 . 6621 1 520 . 1 1 43 43 LYS CA C 13 55.30 0.15 . 1 . . . . 43 LYS CA . 6621 1 521 . 1 1 43 43 LYS CB C 13 32.99 0.15 . 1 . . . . 43 LYS CB . 6621 1 522 . 1 1 43 43 LYS CG C 13 24.49 0.15 . 1 . . . . 43 LYS CG . 6621 1 523 . 1 1 43 43 LYS CD C 13 28.74 0.15 . 1 . . . . 43 LYS CD . 6621 1 524 . 1 1 43 43 LYS CE C 13 41.89 0.15 . 1 . . . . 43 LYS CE . 6621 1 525 . 1 1 43 43 LYS N N 15 125.01 0.15 . 1 . . . . 43 LYS N . 6621 1 526 . 1 1 44 44 PHE H H 1 9.02 0.02 . 1 . . . . 44 PHE H . 6621 1 527 . 1 1 44 44 PHE HA H 1 4.07 0.02 . 1 . . . . 44 PHE HA . 6621 1 528 . 1 1 44 44 PHE HB2 H 1 2.57 0.02 . 1 . . . . 44 PHE HB2 . 6621 1 529 . 1 1 44 44 PHE HB3 H 1 2.57 0.02 . 1 . . . . 44 PHE HB3 . 6621 1 530 . 1 1 44 44 PHE CA C 13 57.16 0.15 . 1 . . . . 44 PHE CA . 6621 1 531 . 1 1 44 44 PHE CB C 13 40.96 0.15 . 1 . . . . 44 PHE CB . 6621 1 532 . 1 1 44 44 PHE N N 15 122.21 0.15 . 1 . . . . 44 PHE N . 6621 1 533 . 1 1 45 45 TYR H H 1 7.68 0.02 . 1 . . . . 45 TYR H . 6621 1 534 . 1 1 45 45 TYR HA H 1 4.81 0.02 . 1 . . . . 45 TYR HA . 6621 1 535 . 1 1 45 45 TYR HB2 H 1 2.44 0.02 . 2 . . . . 45 TYR HB2 . 6621 1 536 . 1 1 45 45 TYR HB3 H 1 2.05 0.02 . 2 . . . . 45 TYR HB3 . 6621 1 537 . 1 1 45 45 TYR CA C 13 57.03 0.15 . 1 . . . . 45 TYR CA . 6621 1 538 . 1 1 45 45 TYR CB C 13 39.23 0.15 . 1 . . . . 45 TYR CB . 6621 1 539 . 1 1 45 45 TYR N N 15 120.71 0.15 . 1 . . . . 45 TYR N . 6621 1 540 . 1 1 46 46 MET H H 1 9.75 0.02 . 1 . . . . 46 MET H . 6621 1 541 . 1 1 46 46 MET HA H 1 5.28 0.02 . 1 . . . . 46 MET HA . 6621 1 542 . 1 1 46 46 MET HB2 H 1 2.03 0.02 . 2 . . . . 46 MET HB2 . 6621 1 543 . 1 1 46 46 MET HB3 H 1 1.97 0.02 . 2 . . . . 46 MET HB3 . 6621 1 544 . 1 1 46 46 MET HG2 H 1 2.57 0.02 . 1 . . . . 46 MET HG2 . 6621 1 545 . 1 1 46 46 MET HG3 H 1 2.57 0.02 . 1 . . . . 46 MET HG3 . 6621 1 546 . 1 1 46 46 MET HE1 H 1 2.04 0.02 . 1 . . . . 46 MET HE . 6621 1 547 . 1 1 46 46 MET HE2 H 1 2.04 0.02 . 1 . . . . 46 MET HE . 6621 1 548 . 1 1 46 46 MET HE3 H 1 2.04 0.02 . 1 . . . . 46 MET HE . 6621 1 549 . 1 1 46 46 MET CA C 13 51.05 0.15 . 1 . . . . 46 MET CA . 6621 1 550 . 1 1 46 46 MET CB C 13 33.39 0.15 . 1 . . . . 46 MET CB . 6621 1 551 . 1 1 46 46 MET CG C 13 32.19 0.15 . 1 . . . . 46 MET CG . 6621 1 552 . 1 1 46 46 MET CE C 13 16.65 0.15 . 1 . . . . 46 MET CE . 6621 1 553 . 1 1 46 46 MET N N 15 123.30 0.15 . 1 . . . . 46 MET N . 6621 1 554 . 1 1 47 47 PRO HA H 1 4.75 0.02 . 1 . . . . 47 PRO HA . 6621 1 555 . 1 1 47 47 PRO HB2 H 1 1.83 0.02 . 1 . . . . 47 PRO HB2 . 6621 1 556 . 1 1 47 47 PRO HB3 H 1 1.83 0.02 . 1 . . . . 47 PRO HB3 . 6621 1 557 . 1 1 47 47 PRO HG2 H 1 1.65 0.02 . 2 . . . . 47 PRO HG2 . 6621 1 558 . 1 1 47 47 PRO HG3 H 1 1.50 0.02 . 2 . . . . 47 PRO HG3 . 6621 1 559 . 1 1 47 47 PRO HD2 H 1 4.10 0.02 . 2 . . . . 47 PRO HD2 . 6621 1 560 . 1 1 47 47 PRO HD3 H 1 3.56 0.02 . 2 . . . . 47 PRO HD3 . 6621 1 561 . 1 1 47 47 PRO CA C 13 61.68 0.15 . 1 . . . . 47 PRO CA . 6621 1 562 . 1 1 47 47 PRO CB C 13 31.53 0.15 . 1 . . . . 47 PRO CB . 6621 1 563 . 1 1 47 47 PRO CG C 13 26.88 0.15 . 1 . . . . 47 PRO CG . 6621 1 564 . 1 1 47 47 PRO CD C 13 49.06 0.15 . 1 . . . . 47 PRO CD . 6621 1 565 . 1 1 48 48 LYS H H 1 8.72 0.02 . 1 . . . . 48 LYS H . 6621 1 566 . 1 1 48 48 LYS HA H 1 3.85 0.02 . 1 . . . . 48 LYS HA . 6621 1 567 . 1 1 48 48 LYS HB2 H 1 1.66 0.02 . 2 . . . . 48 LYS HB2 . 6621 1 568 . 1 1 48 48 LYS HB3 H 1 1.46 0.02 . 2 . . . . 48 LYS HB3 . 6621 1 569 . 1 1 48 48 LYS HG2 H 1 1.34 0.02 . 1 . . . . 48 LYS HG2 . 6621 1 570 . 1 1 48 48 LYS HG3 H 1 1.34 0.02 . 1 . . . . 48 LYS HG3 . 6621 1 571 . 1 1 48 48 LYS HD2 H 1 1.61 0.02 . 2 . . . . 48 LYS HD2 . 6621 1 572 . 1 1 48 48 LYS HD3 H 1 1.52 0.02 . 2 . . . . 48 LYS HD3 . 6621 1 573 . 1 1 48 48 LYS HE2 H 1 2.94 0.02 . 1 . . . . 48 LYS HE2 . 6621 1 574 . 1 1 48 48 LYS HE3 H 1 2.94 0.02 . 1 . . . . 48 LYS HE3 . 6621 1 575 . 1 1 48 48 LYS CA C 13 58.89 0.15 . 1 . . . . 48 LYS CA . 6621 1 576 . 1 1 48 48 LYS CB C 13 32.19 0.15 . 1 . . . . 48 LYS CB . 6621 1 577 . 1 1 48 48 LYS CG C 13 25.29 0.15 . 1 . . . . 48 LYS CG . 6621 1 578 . 1 1 48 48 LYS CD C 13 29.14 0.15 . 1 . . . . 48 LYS CD . 6621 1 579 . 1 1 48 48 LYS CE C 13 41.89 0.15 . 1 . . . . 48 LYS CE . 6621 1 580 . 1 1 48 48 LYS N N 15 124.82 0.15 . 1 . . . . 48 LYS N . 6621 1 581 . 1 1 49 49 LYS H H 1 7.70 0.02 . 1 . . . . 49 LYS H . 6621 1 582 . 1 1 49 49 LYS HA H 1 4.14 0.02 . 1 . . . . 49 LYS HA . 6621 1 583 . 1 1 49 49 LYS HB2 H 1 1.53 0.02 . 2 . . . . 49 LYS HB2 . 6621 1 584 . 1 1 49 49 LYS HB3 H 1 1.42 0.02 . 2 . . . . 49 LYS HB3 . 6621 1 585 . 1 1 49 49 LYS HG2 H 1 1.17 0.02 . 1 . . . . 49 LYS HG2 . 6621 1 586 . 1 1 49 49 LYS HG3 H 1 1.17 0.02 . 1 . . . . 49 LYS HG3 . 6621 1 587 . 1 1 49 49 LYS HD2 H 1 1.63 0.02 . 1 . . . . 49 LYS HD2 . 6621 1 588 . 1 1 49 49 LYS HD3 H 1 1.63 0.02 . 1 . . . . 49 LYS HD3 . 6621 1 589 . 1 1 49 49 LYS HE2 H 1 2.95 0.02 . 1 . . . . 49 LYS HE2 . 6621 1 590 . 1 1 49 49 LYS HE3 H 1 2.95 0.02 . 1 . . . . 49 LYS HE3 . 6621 1 591 . 1 1 49 49 LYS CA C 13 54.90 0.15 . 1 . . . . 49 LYS CA . 6621 1 592 . 1 1 49 49 LYS CB C 13 34.32 0.15 . 1 . . . . 49 LYS CB . 6621 1 593 . 1 1 49 49 LYS CG C 13 24.36 0.15 . 1 . . . . 49 LYS CG . 6621 1 594 . 1 1 49 49 LYS CD C 13 28.74 0.15 . 1 . . . . 49 LYS CD . 6621 1 595 . 1 1 49 49 LYS CE C 13 41.89 0.15 . 1 . . . . 49 LYS CE . 6621 1 596 . 1 1 49 49 LYS N N 15 116.62 0.15 . 1 . . . . 49 LYS N . 6621 1 597 . 1 1 50 50 ALA H H 1 8.29 0.02 . 1 . . . . 50 ALA H . 6621 1 598 . 1 1 50 50 ALA HA H 1 4.44 0.02 . 1 . . . . 50 ALA HA . 6621 1 599 . 1 1 50 50 ALA HB1 H 1 0.71 0.02 . 1 . . . . 50 ALA HB . 6621 1 600 . 1 1 50 50 ALA HB2 H 1 0.71 0.02 . 1 . . . . 50 ALA HB . 6621 1 601 . 1 1 50 50 ALA HB3 H 1 0.71 0.02 . 1 . . . . 50 ALA HB . 6621 1 602 . 1 1 50 50 ALA CA C 13 50.92 0.15 . 1 . . . . 50 ALA CA . 6621 1 603 . 1 1 50 50 ALA CB C 13 17.32 0.15 . 1 . . . . 50 ALA CB . 6621 1 604 . 1 1 50 50 ALA N N 15 127.49 0.15 . 1 . . . . 50 ALA N . 6621 1 605 . 1 1 51 51 THR H H 1 9.96 0.02 . 1 . . . . 51 THR H . 6621 1 606 . 1 1 51 51 THR HA H 1 4.67 0.02 . 1 . . . . 51 THR HA . 6621 1 607 . 1 1 51 51 THR HB H 1 4.40 0.02 . 1 . . . . 51 THR HB . 6621 1 608 . 1 1 51 51 THR HG21 H 1 1.10 0.02 . 1 . . . . 51 THR HG2 . 6621 1 609 . 1 1 51 51 THR HG22 H 1 1.10 0.02 . 1 . . . . 51 THR HG2 . 6621 1 610 . 1 1 51 51 THR HG23 H 1 1.10 0.02 . 1 . . . . 51 THR HG2 . 6621 1 611 . 1 1 51 51 THR CA C 13 61.81 0.15 . 1 . . . . 51 THR CA . 6621 1 612 . 1 1 51 51 THR CB C 13 70.97 0.15 . 1 . . . . 51 THR CB . 6621 1 613 . 1 1 51 51 THR CG2 C 13 20.77 0.15 . 1 . . . . 51 THR CG2 . 6621 1 614 . 1 1 51 51 THR N N 15 116.79 0.15 . 1 . . . . 51 THR N . 6621 1 615 . 1 1 52 52 GLU H H 1 9.07 0.02 . 1 . . . . 52 GLU H . 6621 1 616 . 1 1 52 52 GLU HA H 1 4.81 0.02 . 1 . . . . 52 GLU HA . 6621 1 617 . 1 1 52 52 GLU HB2 H 1 2.27 0.02 . 2 . . . . 52 GLU HB2 . 6621 1 618 . 1 1 52 52 GLU HB3 H 1 1.35 0.02 . 2 . . . . 52 GLU HB3 . 6621 1 619 . 1 1 52 52 GLU HG2 H 1 2.12 0.02 . 2 . . . . 52 GLU HG2 . 6621 1 620 . 1 1 52 52 GLU HG3 H 1 2.05 0.02 . 2 . . . . 52 GLU HG3 . 6621 1 621 . 1 1 52 52 GLU CA C 13 54.11 0.15 . 1 . . . . 52 GLU CA . 6621 1 622 . 1 1 52 52 GLU CB C 13 33.39 0.15 . 1 . . . . 52 GLU CB . 6621 1 623 . 1 1 52 52 GLU CG C 13 35.11 0.15 . 1 . . . . 52 GLU CG . 6621 1 624 . 1 1 52 52 GLU N N 15 124.47 0.15 . 1 . . . . 52 GLU N . 6621 1 625 . 1 1 53 53 LEU H H 1 8.89 0.02 . 1 . . . . 53 LEU H . 6621 1 626 . 1 1 53 53 LEU HA H 1 4.09 0.02 . 1 . . . . 53 LEU HA . 6621 1 627 . 1 1 53 53 LEU HB2 H 1 1.83 0.02 . 2 . . . . 53 LEU HB2 . 6621 1 628 . 1 1 53 53 LEU HB3 H 1 1.56 0.02 . 2 . . . . 53 LEU HB3 . 6621 1 629 . 1 1 53 53 LEU HG H 1 1.87 0.02 . 1 . . . . 53 LEU HG . 6621 1 630 . 1 1 53 53 LEU HD11 H 1 1.02 0.02 . 2 . . . . 53 LEU HD1 . 6621 1 631 . 1 1 53 53 LEU HD12 H 1 1.02 0.02 . 2 . . . . 53 LEU HD1 . 6621 1 632 . 1 1 53 53 LEU HD13 H 1 1.02 0.02 . 2 . . . . 53 LEU HD1 . 6621 1 633 . 1 1 53 53 LEU HD21 H 1 0.95 0.02 . 2 . . . . 53 LEU HD2 . 6621 1 634 . 1 1 53 53 LEU HD22 H 1 0.95 0.02 . 2 . . . . 53 LEU HD2 . 6621 1 635 . 1 1 53 53 LEU HD23 H 1 0.95 0.02 . 2 . . . . 53 LEU HD2 . 6621 1 636 . 1 1 53 53 LEU CA C 13 58.62 0.15 . 1 . . . . 53 LEU CA . 6621 1 637 . 1 1 53 53 LEU CB C 13 40.16 0.15 . 1 . . . . 53 LEU CB . 6621 1 638 . 1 1 53 53 LEU CG C 13 26.75 0.15 . 1 . . . . 53 LEU CG . 6621 1 639 . 1 1 53 53 LEU CD1 C 13 25.02 0.15 . 2 . . . . 53 LEU CD1 . 6621 1 640 . 1 1 53 53 LEU CD2 C 13 23.43 0.15 . 2 . . . . 53 LEU CD2 . 6621 1 641 . 1 1 53 53 LEU N N 15 122.86 0.15 . 1 . . . . 53 LEU N . 6621 1 642 . 1 1 54 54 LYS H H 1 8.40 0.02 . 1 . . . . 54 LYS H . 6621 1 643 . 1 1 54 54 LYS HA H 1 4.26 0.02 . 1 . . . . 54 LYS HA . 6621 1 644 . 1 1 54 54 LYS HB2 H 1 1.59 0.02 . 1 . . . . 54 LYS HB2 . 6621 1 645 . 1 1 54 54 LYS HB3 H 1 1.59 0.02 . 1 . . . . 54 LYS HB3 . 6621 1 646 . 1 1 54 54 LYS HG2 H 1 0.80 0.02 . 2 . . . . 54 LYS HG2 . 6621 1 647 . 1 1 54 54 LYS HG3 H 1 0.41 0.02 . 2 . . . . 54 LYS HG3 . 6621 1 648 . 1 1 54 54 LYS HD2 H 1 1.33 0.02 . 2 . . . . 54 LYS HD2 . 6621 1 649 . 1 1 54 54 LYS HD3 H 1 1.26 0.02 . 2 . . . . 54 LYS HD3 . 6621 1 650 . 1 1 54 54 LYS HE2 H 1 2.57 0.02 . 1 . . . . 54 LYS HE2 . 6621 1 651 . 1 1 54 54 LYS HE3 H 1 2.57 0.02 . 1 . . . . 54 LYS HE3 . 6621 1 652 . 1 1 54 54 LYS CA C 13 57.69 0.15 . 1 . . . . 54 LYS CA . 6621 1 653 . 1 1 54 54 LYS CB C 13 30.47 0.15 . 1 . . . . 54 LYS CB . 6621 1 654 . 1 1 54 54 LYS CG C 13 23.16 0.15 . 1 . . . . 54 LYS CG . 6621 1 655 . 1 1 54 54 LYS CD C 13 29.00 0.15 . 1 . . . . 54 LYS CD . 6621 1 656 . 1 1 54 54 LYS CE C 13 41.09 0.15 . 1 . . . . 54 LYS CE . 6621 1 657 . 1 1 54 54 LYS N N 15 116.30 0.15 . 1 . . . . 54 LYS N . 6621 1 658 . 1 1 55 55 HIS H H 1 7.93 0.02 . 1 . . . . 55 HIS H . 6621 1 659 . 1 1 55 55 HIS HA H 1 4.56 0.02 . 1 . . . . 55 HIS HA . 6621 1 660 . 1 1 55 55 HIS HB2 H 1 3.52 0.02 . 2 . . . . 55 HIS HB2 . 6621 1 661 . 1 1 55 55 HIS HB3 H 1 3.42 0.02 . 2 . . . . 55 HIS HB3 . 6621 1 662 . 1 1 55 55 HIS CA C 13 57.69 0.15 . 1 . . . . 55 HIS CA . 6621 1 663 . 1 1 55 55 HIS CB C 13 30.33 0.15 . 1 . . . . 55 HIS CB . 6621 1 664 . 1 1 55 55 HIS N N 15 120.11 0.15 . 1 . . . . 55 HIS N . 6621 1 665 . 1 1 56 56 LEU H H 1 8.48 0.02 . 1 . . . . 56 LEU H . 6621 1 666 . 1 1 56 56 LEU HA H 1 3.83 0.02 . 1 . . . . 56 LEU HA . 6621 1 667 . 1 1 56 56 LEU HB2 H 1 2.03 0.02 . 2 . . . . 56 LEU HB2 . 6621 1 668 . 1 1 56 56 LEU HB3 H 1 1.42 0.02 . 2 . . . . 56 LEU HB3 . 6621 1 669 . 1 1 56 56 LEU HG H 1 1.55 0.02 . 1 . . . . 56 LEU HG . 6621 1 670 . 1 1 56 56 LEU HD11 H 1 1.02 0.02 . 2 . . . . 56 LEU HD1 . 6621 1 671 . 1 1 56 56 LEU HD12 H 1 1.02 0.02 . 2 . . . . 56 LEU HD1 . 6621 1 672 . 1 1 56 56 LEU HD13 H 1 1.02 0.02 . 2 . . . . 56 LEU HD1 . 6621 1 673 . 1 1 56 56 LEU HD21 H 1 0.71 0.02 . 2 . . . . 56 LEU HD2 . 6621 1 674 . 1 1 56 56 LEU HD22 H 1 0.71 0.02 . 2 . . . . 56 LEU HD2 . 6621 1 675 . 1 1 56 56 LEU HD23 H 1 0.71 0.02 . 2 . . . . 56 LEU HD2 . 6621 1 676 . 1 1 56 56 LEU CA C 13 56.90 0.15 . 1 . . . . 56 LEU CA . 6621 1 677 . 1 1 56 56 LEU CB C 13 41.22 0.15 . 1 . . . . 56 LEU CB . 6621 1 678 . 1 1 56 56 LEU CG C 13 26.75 0.15 . 1 . . . . 56 LEU CG . 6621 1 679 . 1 1 56 56 LEU CD1 C 13 26.88 0.15 . 2 . . . . 56 LEU CD1 . 6621 1 680 . 1 1 56 56 LEU CD2 C 13 23.96 0.15 . 2 . . . . 56 LEU CD2 . 6621 1 681 . 1 1 56 56 LEU N N 15 121.31 0.15 . 1 . . . . 56 LEU N . 6621 1 682 . 1 1 57 57 GLN H H 1 8.00 0.02 . 1 . . . . 57 GLN H . 6621 1 683 . 1 1 57 57 GLN HA H 1 3.91 0.02 . 1 . . . . 57 GLN HA . 6621 1 684 . 1 1 57 57 GLN HB2 H 1 1.94 0.02 . 1 . . . . 57 GLN HB2 . 6621 1 685 . 1 1 57 57 GLN HB3 H 1 1.94 0.02 . 1 . . . . 57 GLN HB3 . 6621 1 686 . 1 1 57 57 GLN HG2 H 1 2.54 0.02 . 1 . . . . 57 GLN HG2 . 6621 1 687 . 1 1 57 57 GLN HG3 H 1 2.54 0.02 . 1 . . . . 57 GLN HG3 . 6621 1 688 . 1 1 57 57 GLN HE21 H 1 7.57 0.02 . 2 . . . . 57 GLN HE21 . 6621 1 689 . 1 1 57 57 GLN HE22 H 1 6.88 0.02 . 2 . . . . 57 GLN HE22 . 6621 1 690 . 1 1 57 57 GLN CA C 13 58.62 0.15 . 1 . . . . 57 GLN CA . 6621 1 691 . 1 1 57 57 GLN CB C 13 28.87 0.15 . 1 . . . . 57 GLN CB . 6621 1 692 . 1 1 57 57 GLN CG C 13 33.79 0.15 . 1 . . . . 57 GLN CG . 6621 1 693 . 1 1 57 57 GLN N N 15 122.73 0.15 . 1 . . . . 57 GLN N . 6621 1 694 . 1 1 57 57 GLN NE2 N 15 114.04 0.15 . 1 . . . . 57 GLN NE2 . 6621 1 695 . 1 1 58 58 CYS H H 1 8.14 0.02 . 1 . . . . 58 CYS H . 6621 1 696 . 1 1 58 58 CYS HA H 1 4.77 0.02 . 1 . . . . 58 CYS HA . 6621 1 697 . 1 1 58 58 CYS HB2 H 1 3.48 0.02 . 1 . . . . 58 CYS HB2 . 6621 1 698 . 1 1 58 58 CYS HB3 H 1 3.48 0.02 . 1 . . . . 58 CYS HB3 . 6621 1 699 . 1 1 58 58 CYS CA C 13 55.97 0.15 . 1 . . . . 58 CYS CA . 6621 1 700 . 1 1 58 58 CYS N N 15 115.00 0.15 . 1 . . . . 58 CYS N . 6621 1 701 . 1 1 59 59 LEU H H 1 6.90 0.02 . 1 . . . . 59 LEU H . 6621 1 702 . 1 1 59 59 LEU HA H 1 3.88 0.02 . 1 . . . . 59 LEU HA . 6621 1 703 . 1 1 59 59 LEU HB2 H 1 1.18 0.02 . 2 . . . . 59 LEU HB2 . 6621 1 704 . 1 1 59 59 LEU HB3 H 1 -0.93 0.02 . 2 . . . . 59 LEU HB3 . 6621 1 705 . 1 1 59 59 LEU HG H 1 0.82 0.02 . 1 . . . . 59 LEU HG . 6621 1 706 . 1 1 59 59 LEU HD11 H 1 0.22 0.02 . 2 . . . . 59 LEU HD1 . 6621 1 707 . 1 1 59 59 LEU HD12 H 1 0.22 0.02 . 2 . . . . 59 LEU HD1 . 6621 1 708 . 1 1 59 59 LEU HD13 H 1 0.22 0.02 . 2 . . . . 59 LEU HD1 . 6621 1 709 . 1 1 59 59 LEU HD21 H 1 0.06 0.02 . 2 . . . . 59 LEU HD2 . 6621 1 710 . 1 1 59 59 LEU HD22 H 1 0.06 0.02 . 2 . . . . 59 LEU HD2 . 6621 1 711 . 1 1 59 59 LEU HD23 H 1 0.06 0.02 . 2 . . . . 59 LEU HD2 . 6621 1 712 . 1 1 59 59 LEU CA C 13 56.90 0.15 . 1 . . . . 59 LEU CA . 6621 1 713 . 1 1 59 59 LEU CB C 13 39.10 0.15 . 1 . . . . 59 LEU CB . 6621 1 714 . 1 1 59 59 LEU CG C 13 26.75 0.15 . 1 . . . . 59 LEU CG . 6621 1 715 . 1 1 59 59 LEU CD1 C 13 24.76 0.15 . 2 . . . . 59 LEU CD1 . 6621 1 716 . 1 1 59 59 LEU CD2 C 13 21.57 0.15 . 2 . . . . 59 LEU CD2 . 6621 1 717 . 1 1 59 59 LEU N N 15 124.21 0.15 . 1 . . . . 59 LEU N . 6621 1 718 . 1 1 60 60 GLU H H 1 7.65 0.02 . 1 . . . . 60 GLU H . 6621 1 719 . 1 1 60 60 GLU HA H 1 3.67 0.02 . 1 . . . . 60 GLU HA . 6621 1 720 . 1 1 60 60 GLU HB2 H 1 2.02 0.02 . 1 . . . . 60 GLU HB2 . 6621 1 721 . 1 1 60 60 GLU HB3 H 1 2.02 0.02 . 1 . . . . 60 GLU HB3 . 6621 1 722 . 1 1 60 60 GLU HG2 H 1 2.04 0.02 . 1 . . . . 60 GLU HG2 . 6621 1 723 . 1 1 60 60 GLU HG3 H 1 2.04 0.02 . 1 . . . . 60 GLU HG3 . 6621 1 724 . 1 1 60 60 GLU CA C 13 58.62 0.15 . 1 . . . . 60 GLU CA . 6621 1 725 . 1 1 60 60 GLU CB C 13 29.27 0.15 . 1 . . . . 60 GLU CB . 6621 1 726 . 1 1 60 60 GLU CG C 13 34.85 0.15 . 1 . . . . 60 GLU CG . 6621 1 727 . 1 1 60 60 GLU N N 15 119.81 0.15 . 1 . . . . 60 GLU N . 6621 1 728 . 1 1 61 61 GLU H H 1 7.86 0.02 . 1 . . . . 61 GLU H . 6621 1 729 . 1 1 61 61 GLU HA H 1 4.16 0.02 . 1 . . . . 61 GLU HA . 6621 1 730 . 1 1 61 61 GLU HB2 H 1 2.34 0.02 . 2 . . . . 61 GLU HB2 . 6621 1 731 . 1 1 61 61 GLU HB3 H 1 2.28 0.02 . 2 . . . . 61 GLU HB3 . 6621 1 732 . 1 1 61 61 GLU HG2 H 1 2.81 0.02 . 2 . . . . 61 GLU HG2 . 6621 1 733 . 1 1 61 61 GLU HG3 H 1 2.51 0.02 . 2 . . . . 61 GLU HG3 . 6621 1 734 . 1 1 61 61 GLU CA C 13 58.49 0.15 . 1 . . . . 61 GLU CA . 6621 1 735 . 1 1 61 61 GLU CB C 13 29.27 0.15 . 1 . . . . 61 GLU CB . 6621 1 736 . 1 1 61 61 GLU CG C 13 36.04 0.15 . 1 . . . . 61 GLU CG . 6621 1 737 . 1 1 61 61 GLU N N 15 115.84 0.15 . 1 . . . . 61 GLU N . 6621 1 738 . 1 1 62 62 GLU H H 1 7.60 0.02 . 1 . . . . 62 GLU H . 6621 1 739 . 1 1 62 62 GLU HA H 1 4.73 0.02 . 1 . . . . 62 GLU HA . 6621 1 740 . 1 1 62 62 GLU HB2 H 1 2.78 0.02 . 2 . . . . 62 GLU HB2 . 6621 1 741 . 1 1 62 62 GLU HB3 H 1 2.27 0.02 . 2 . . . . 62 GLU HB3 . 6621 1 742 . 1 1 62 62 GLU HG2 H 1 3.11 0.02 . 2 . . . . 62 GLU HG2 . 6621 1 743 . 1 1 62 62 GLU HG3 H 1 2.69 0.02 . 2 . . . . 62 GLU HG3 . 6621 1 744 . 1 1 62 62 GLU CA C 13 54.24 0.15 . 1 . . . . 62 GLU CA . 6621 1 745 . 1 1 62 62 GLU CB C 13 30.73 0.15 . 1 . . . . 62 GLU CB . 6621 1 746 . 1 1 62 62 GLU CG C 13 36.04 0.15 . 1 . . . . 62 GLU CG . 6621 1 747 . 1 1 62 62 GLU N N 15 116.41 0.15 . 1 . . . . 62 GLU N . 6621 1 748 . 1 1 63 63 LEU H H 1 7.51 0.02 . 1 . . . . 63 LEU H . 6621 1 749 . 1 1 63 63 LEU HA H 1 4.16 0.02 . 1 . . . . 63 LEU HA . 6621 1 750 . 1 1 63 63 LEU HB2 H 1 1.93 0.02 . 2 . . . . 63 LEU HB2 . 6621 1 751 . 1 1 63 63 LEU HB3 H 1 1.40 0.02 . 2 . . . . 63 LEU HB3 . 6621 1 752 . 1 1 63 63 LEU HG H 1 2.16 0.02 . 1 . . . . 63 LEU HG . 6621 1 753 . 1 1 63 63 LEU HD11 H 1 0.89 0.02 . 2 . . . . 63 LEU HD1 . 6621 1 754 . 1 1 63 63 LEU HD12 H 1 0.89 0.02 . 2 . . . . 63 LEU HD1 . 6621 1 755 . 1 1 63 63 LEU HD13 H 1 0.89 0.02 . 2 . . . . 63 LEU HD1 . 6621 1 756 . 1 1 63 63 LEU HD21 H 1 0.69 0.02 . 2 . . . . 63 LEU HD2 . 6621 1 757 . 1 1 63 63 LEU HD22 H 1 0.69 0.02 . 2 . . . . 63 LEU HD2 . 6621 1 758 . 1 1 63 63 LEU HD23 H 1 0.69 0.02 . 2 . . . . 63 LEU HD2 . 6621 1 759 . 1 1 63 63 LEU CA C 13 57.56 0.15 . 1 . . . . 63 LEU CA . 6621 1 760 . 1 1 63 63 LEU CB C 13 39.89 0.15 . 1 . . . . 63 LEU CB . 6621 1 761 . 1 1 63 63 LEU CG C 13 25.55 0.15 . 1 . . . . 63 LEU CG . 6621 1 762 . 1 1 63 63 LEU CD1 C 13 23.43 0.15 . 2 . . . . 63 LEU CD1 . 6621 1 763 . 1 1 63 63 LEU CD2 C 13 21.30 0.15 . 2 . . . . 63 LEU CD2 . 6621 1 764 . 1 1 63 63 LEU N N 15 120.79 0.15 . 1 . . . . 63 LEU N . 6621 1 765 . 1 1 64 64 LYS H H 1 8.46 0.02 . 1 . . . . 64 LYS H . 6621 1 766 . 1 1 64 64 LYS HA H 1 4.44 0.02 . 1 . . . . 64 LYS HA . 6621 1 767 . 1 1 64 64 LYS HB2 H 1 1.92 0.02 . 1 . . . . 64 LYS HB2 . 6621 1 768 . 1 1 64 64 LYS HB3 H 1 1.92 0.02 . 1 . . . . 64 LYS HB3 . 6621 1 769 . 1 1 64 64 LYS HG2 H 1 1.42 0.02 . 1 . . . . 64 LYS HG2 . 6621 1 770 . 1 1 64 64 LYS HG3 H 1 1.42 0.02 . 1 . . . . 64 LYS HG3 . 6621 1 771 . 1 1 64 64 LYS HD2 H 1 1.66 0.02 . 1 . . . . 64 LYS HD2 . 6621 1 772 . 1 1 64 64 LYS HD3 H 1 1.66 0.02 . 1 . . . . 64 LYS HD3 . 6621 1 773 . 1 1 64 64 LYS HE2 H 1 2.95 0.02 . 1 . . . . 64 LYS HE2 . 6621 1 774 . 1 1 64 64 LYS HE3 H 1 2.95 0.02 . 1 . . . . 64 LYS HE3 . 6621 1 775 . 1 1 64 64 LYS CG C 13 24.49 0.15 . 1 . . . . 64 LYS CG . 6621 1 776 . 1 1 64 64 LYS CD C 13 28.74 0.15 . 1 . . . . 64 LYS CD . 6621 1 777 . 1 1 64 64 LYS CE C 13 41.89 0.15 . 1 . . . . 64 LYS CE . 6621 1 778 . 1 1 64 64 LYS N N 15 120.28 0.15 . 1 . . . . 64 LYS N . 6621 1 779 . 1 1 65 65 PRO HA H 1 4.29 0.02 . 1 . . . . 65 PRO HA . 6621 1 780 . 1 1 65 65 PRO HB2 H 1 2.02 0.02 . 2 . . . . 65 PRO HB2 . 6621 1 781 . 1 1 65 65 PRO HB3 H 1 1.53 0.02 . 2 . . . . 65 PRO HB3 . 6621 1 782 . 1 1 65 65 PRO HG2 H 1 2.12 0.02 . 2 . . . . 65 PRO HG2 . 6621 1 783 . 1 1 65 65 PRO HG3 H 1 1.91 0.02 . 2 . . . . 65 PRO HG3 . 6621 1 784 . 1 1 65 65 PRO HD2 H 1 3.63 0.02 . 2 . . . . 65 PRO HD2 . 6621 1 785 . 1 1 65 65 PRO HD3 H 1 3.54 0.02 . 2 . . . . 65 PRO HD3 . 6621 1 786 . 1 1 65 65 PRO CA C 13 65.13 0.15 . 1 . . . . 65 PRO CA . 6621 1 787 . 1 1 65 65 PRO CB C 13 29.67 0.15 . 1 . . . . 65 PRO CB . 6621 1 788 . 1 1 65 65 PRO CG C 13 27.15 0.15 . 1 . . . . 65 PRO CG . 6621 1 789 . 1 1 65 65 PRO CD C 13 49.06 0.15 . 1 . . . . 65 PRO CD . 6621 1 790 . 1 1 66 66 LEU H H 1 7.55 0.02 . 1 . . . . 66 LEU H . 6621 1 791 . 1 1 66 66 LEU HA H 1 4.04 0.02 . 1 . . . . 66 LEU HA . 6621 1 792 . 1 1 66 66 LEU HB2 H 1 2.20 0.02 . 2 . . . . 66 LEU HB2 . 6621 1 793 . 1 1 66 66 LEU HB3 H 1 1.66 0.02 . 2 . . . . 66 LEU HB3 . 6621 1 794 . 1 1 66 66 LEU HG H 1 1.62 0.02 . 1 . . . . 66 LEU HG . 6621 1 795 . 1 1 66 66 LEU HD11 H 1 0.83 0.02 . 2 . . . . 66 LEU HD1 . 6621 1 796 . 1 1 66 66 LEU HD12 H 1 0.83 0.02 . 2 . . . . 66 LEU HD1 . 6621 1 797 . 1 1 66 66 LEU HD13 H 1 0.83 0.02 . 2 . . . . 66 LEU HD1 . 6621 1 798 . 1 1 66 66 LEU HD21 H 1 0.82 0.02 . 2 . . . . 66 LEU HD2 . 6621 1 799 . 1 1 66 66 LEU HD22 H 1 0.82 0.02 . 2 . . . . 66 LEU HD2 . 6621 1 800 . 1 1 66 66 LEU HD23 H 1 0.82 0.02 . 2 . . . . 66 LEU HD2 . 6621 1 801 . 1 1 66 66 LEU CA C 13 58.62 0.15 . 1 . . . . 66 LEU CA . 6621 1 802 . 1 1 66 66 LEU CB C 13 41.49 0.15 . 1 . . . . 66 LEU CB . 6621 1 803 . 1 1 66 66 LEU CG C 13 26.75 0.15 . 1 . . . . 66 LEU CG . 6621 1 804 . 1 1 66 66 LEU CD1 C 13 23.43 0.15 . 2 . . . . 66 LEU CD1 . 6621 1 805 . 1 1 66 66 LEU CD2 C 13 25.02 0.15 . 2 . . . . 66 LEU CD2 . 6621 1 806 . 1 1 66 66 LEU N N 15 119.04 0.15 . 1 . . . . 66 LEU N . 6621 1 807 . 1 1 67 67 GLU H H 1 8.39 0.02 . 1 . . . . 67 GLU H . 6621 1 808 . 1 1 67 67 GLU HA H 1 3.49 0.02 . 1 . . . . 67 GLU HA . 6621 1 809 . 1 1 67 67 GLU HB2 H 1 2.32 0.02 . 2 . . . . 67 GLU HB2 . 6621 1 810 . 1 1 67 67 GLU HB3 H 1 1.91 0.02 . 2 . . . . 67 GLU HB3 . 6621 1 811 . 1 1 67 67 GLU HG2 H 1 2.21 0.02 . 2 . . . . 67 GLU HG2 . 6621 1 812 . 1 1 67 67 GLU HG3 H 1 1.90 0.02 . 2 . . . . 67 GLU HG3 . 6621 1 813 . 1 1 67 67 GLU CA C 13 59.95 0.15 . 1 . . . . 67 GLU CA . 6621 1 814 . 1 1 67 67 GLU CB C 13 29.27 0.15 . 1 . . . . 67 GLU CB . 6621 1 815 . 1 1 67 67 GLU CG C 13 35.38 0.15 . 1 . . . . 67 GLU CG . 6621 1 816 . 1 1 67 67 GLU N N 15 121.44 0.15 . 1 . . . . 67 GLU N . 6621 1 817 . 1 1 68 68 GLU H H 1 7.82 0.02 . 1 . . . . 68 GLU H . 6621 1 818 . 1 1 68 68 GLU HA H 1 3.91 0.02 . 1 . . . . 68 GLU HA . 6621 1 819 . 1 1 68 68 GLU HB2 H 1 2.27 0.02 . 2 . . . . 68 GLU HB2 . 6621 1 820 . 1 1 68 68 GLU HB3 H 1 2.00 0.02 . 2 . . . . 68 GLU HB3 . 6621 1 821 . 1 1 68 68 GLU HG2 H 1 2.55 0.02 . 2 . . . . 68 GLU HG2 . 6621 1 822 . 1 1 68 68 GLU HG3 H 1 2.27 0.02 . 2 . . . . 68 GLU HG3 . 6621 1 823 . 1 1 68 68 GLU CA C 13 58.62 0.15 . 1 . . . . 68 GLU CA . 6621 1 824 . 1 1 68 68 GLU CB C 13 28.47 0.15 . 1 . . . . 68 GLU CB . 6621 1 825 . 1 1 68 68 GLU CG C 13 35.38 0.15 . 1 . . . . 68 GLU CG . 6621 1 826 . 1 1 68 68 GLU N N 15 118.26 0.15 . 1 . . . . 68 GLU N . 6621 1 827 . 1 1 69 69 VAL H H 1 7.85 0.02 . 1 . . . . 69 VAL H . 6621 1 828 . 1 1 69 69 VAL HA H 1 3.34 0.02 . 1 . . . . 69 VAL HA . 6621 1 829 . 1 1 69 69 VAL HB H 1 2.00 0.02 . 1 . . . . 69 VAL HB . 6621 1 830 . 1 1 69 69 VAL HG11 H 1 0.92 0.02 . 2 . . . . 69 VAL HG1 . 6621 1 831 . 1 1 69 69 VAL HG12 H 1 0.92 0.02 . 2 . . . . 69 VAL HG1 . 6621 1 832 . 1 1 69 69 VAL HG13 H 1 0.92 0.02 . 2 . . . . 69 VAL HG1 . 6621 1 833 . 1 1 69 69 VAL HG21 H 1 0.66 0.02 . 2 . . . . 69 VAL HG2 . 6621 1 834 . 1 1 69 69 VAL HG22 H 1 0.66 0.02 . 2 . . . . 69 VAL HG2 . 6621 1 835 . 1 1 69 69 VAL HG23 H 1 0.66 0.02 . 2 . . . . 69 VAL HG2 . 6621 1 836 . 1 1 69 69 VAL CA C 13 65.79 0.15 . 1 . . . . 69 VAL CA . 6621 1 837 . 1 1 69 69 VAL CB C 13 30.60 0.15 . 1 . . . . 69 VAL CB . 6621 1 838 . 1 1 69 69 VAL CG1 C 13 21.83 0.15 . 2 . . . . 69 VAL CG1 . 6621 1 839 . 1 1 69 69 VAL CG2 C 13 22.63 0.15 . 2 . . . . 69 VAL CG2 . 6621 1 840 . 1 1 69 69 VAL N N 15 120.25 0.15 . 1 . . . . 69 VAL N . 6621 1 841 . 1 1 70 70 LEU H H 1 8.17 0.02 . 1 . . . . 70 LEU H . 6621 1 842 . 1 1 70 70 LEU HA H 1 3.89 0.02 . 1 . . . . 70 LEU HA . 6621 1 843 . 1 1 70 70 LEU HB2 H 1 1.88 0.02 . 2 . . . . 70 LEU HB2 . 6621 1 844 . 1 1 70 70 LEU HB3 H 1 1.30 0.02 . 2 . . . . 70 LEU HB3 . 6621 1 845 . 1 1 70 70 LEU HG H 1 1.94 0.02 . 1 . . . . 70 LEU HG . 6621 1 846 . 1 1 70 70 LEU HD11 H 1 0.83 0.02 . 2 . . . . 70 LEU HD1 . 6621 1 847 . 1 1 70 70 LEU HD12 H 1 0.83 0.02 . 2 . . . . 70 LEU HD1 . 6621 1 848 . 1 1 70 70 LEU HD13 H 1 0.83 0.02 . 2 . . . . 70 LEU HD1 . 6621 1 849 . 1 1 70 70 LEU HD21 H 1 0.75 0.02 . 2 . . . . 70 LEU HD2 . 6621 1 850 . 1 1 70 70 LEU HD22 H 1 0.75 0.02 . 2 . . . . 70 LEU HD2 . 6621 1 851 . 1 1 70 70 LEU HD23 H 1 0.75 0.02 . 2 . . . . 70 LEU HD2 . 6621 1 852 . 1 1 70 70 LEU CA C 13 57.69 0.15 . 1 . . . . 70 LEU CA . 6621 1 853 . 1 1 70 70 LEU CB C 13 40.69 0.15 . 1 . . . . 70 LEU CB . 6621 1 854 . 1 1 70 70 LEU CG C 13 26.08 0.15 . 1 . . . . 70 LEU CG . 6621 1 855 . 1 1 70 70 LEU CD1 C 13 24.49 0.15 . 2 . . . . 70 LEU CD1 . 6621 1 856 . 1 1 70 70 LEU CD2 C 13 22.36 0.15 . 2 . . . . 70 LEU CD2 . 6621 1 857 . 1 1 70 70 LEU N N 15 119.96 0.15 . 1 . . . . 70 LEU N . 6621 1 858 . 1 1 71 71 ASN H H 1 8.03 0.02 . 1 . . . . 71 ASN H . 6621 1 859 . 1 1 71 71 ASN HA H 1 4.54 0.02 . 1 . . . . 71 ASN HA . 6621 1 860 . 1 1 71 71 ASN HB2 H 1 2.84 0.02 . 2 . . . . 71 ASN HB2 . 6621 1 861 . 1 1 71 71 ASN HB3 H 1 2.79 0.02 . 2 . . . . 71 ASN HB3 . 6621 1 862 . 1 1 71 71 ASN HD21 H 1 7.39 0.02 . 2 . . . . 71 ASN HD21 . 6621 1 863 . 1 1 71 71 ASN HD22 H 1 6.97 0.02 . 2 . . . . 71 ASN HD22 . 6621 1 864 . 1 1 71 71 ASN CA C 13 55.17 0.15 . 1 . . . . 71 ASN CA . 6621 1 865 . 1 1 71 71 ASN CB C 13 37.90 0.15 . 1 . . . . 71 ASN CB . 6621 1 866 . 1 1 71 71 ASN N N 15 118.45 0.15 . 1 . . . . 71 ASN N . 6621 1 867 . 1 1 71 71 ASN ND2 N 15 112.87 0.15 . 1 . . . . 71 ASN ND2 . 6621 1 868 . 1 1 72 72 LEU H H 1 7.65 0.02 . 1 . . . . 72 LEU H . 6621 1 869 . 1 1 72 72 LEU HA H 1 4.26 0.02 . 1 . . . . 72 LEU HA . 6621 1 870 . 1 1 72 72 LEU HB2 H 1 1.98 0.02 . 2 . . . . 72 LEU HB2 . 6621 1 871 . 1 1 72 72 LEU HB3 H 1 1.56 0.02 . 2 . . . . 72 LEU HB3 . 6621 1 872 . 1 1 72 72 LEU HG H 1 1.87 0.02 . 1 . . . . 72 LEU HG . 6621 1 873 . 1 1 72 72 LEU HD11 H 1 0.94 0.02 . 2 . . . . 72 LEU HD1 . 6621 1 874 . 1 1 72 72 LEU HD12 H 1 0.94 0.02 . 2 . . . . 72 LEU HD1 . 6621 1 875 . 1 1 72 72 LEU HD13 H 1 0.94 0.02 . 2 . . . . 72 LEU HD1 . 6621 1 876 . 1 1 72 72 LEU HD21 H 1 0.89 0.02 . 2 . . . . 72 LEU HD2 . 6621 1 877 . 1 1 72 72 LEU HD22 H 1 0.89 0.02 . 2 . . . . 72 LEU HD2 . 6621 1 878 . 1 1 72 72 LEU HD23 H 1 0.89 0.02 . 2 . . . . 72 LEU HD2 . 6621 1 879 . 1 1 72 72 LEU CA C 13 55.97 0.15 . 1 . . . . 72 LEU CA . 6621 1 880 . 1 1 72 72 LEU CB C 13 41.75 0.15 . 1 . . . . 72 LEU CB . 6621 1 881 . 1 1 72 72 LEU CG C 13 26.75 0.15 . 1 . . . . 72 LEU CG . 6621 1 882 . 1 1 72 72 LEU CD1 C 13 25.02 0.15 . 2 . . . . 72 LEU CD1 . 6621 1 883 . 1 1 72 72 LEU CD2 C 13 22.36 0.15 . 2 . . . . 72 LEU CD2 . 6621 1 884 . 1 1 72 72 LEU N N 15 120.47 0.15 . 1 . . . . 72 LEU N . 6621 1 885 . 1 1 73 73 ALA H H 1 7.55 0.02 . 1 . . . . 73 ALA H . 6621 1 886 . 1 1 73 73 ALA HA H 1 4.15 0.02 . 1 . . . . 73 ALA HA . 6621 1 887 . 1 1 73 73 ALA HB1 H 1 1.26 0.02 . 1 . . . . 73 ALA HB . 6621 1 888 . 1 1 73 73 ALA HB2 H 1 1.26 0.02 . 1 . . . . 73 ALA HB . 6621 1 889 . 1 1 73 73 ALA HB3 H 1 1.26 0.02 . 1 . . . . 73 ALA HB . 6621 1 890 . 1 1 73 73 ALA CA C 13 51.58 0.15 . 1 . . . . 73 ALA CA . 6621 1 891 . 1 1 73 73 ALA CB C 13 18.65 0.15 . 1 . . . . 73 ALA CB . 6621 1 892 . 1 1 73 73 ALA N N 15 121.44 0.15 . 1 . . . . 73 ALA N . 6621 1 893 . 1 1 74 74 GLN H H 1 7.65 0.02 . 1 . . . . 74 GLN H . 6621 1 894 . 1 1 74 74 GLN HA H 1 4.32 0.02 . 1 . . . . 74 GLN HA . 6621 1 895 . 1 1 74 74 GLN HB2 H 1 2.17 0.02 . 2 . . . . 74 GLN HB2 . 6621 1 896 . 1 1 74 74 GLN HB3 H 1 2.08 0.02 . 2 . . . . 74 GLN HB3 . 6621 1 897 . 1 1 74 74 GLN HG2 H 1 2.46 0.02 . 1 . . . . 74 GLN HG2 . 6621 1 898 . 1 1 74 74 GLN HG3 H 1 2.46 0.02 . 1 . . . . 74 GLN HG3 . 6621 1 899 . 1 1 74 74 GLN HE21 H 1 7.48 0.02 . 2 . . . . 74 GLN HE21 . 6621 1 900 . 1 1 74 74 GLN HE22 H 1 6.87 0.02 . 2 . . . . 74 GLN HE22 . 6621 1 901 . 1 1 74 74 GLN CA C 13 56.23 0.15 . 1 . . . . 74 GLN CA . 6621 1 902 . 1 1 74 74 GLN CB C 13 28.61 0.15 . 1 . . . . 74 GLN CB . 6621 1 903 . 1 1 74 74 GLN CG C 13 33.65 0.15 . 1 . . . . 74 GLN CG . 6621 1 904 . 1 1 74 74 GLN N N 15 118.69 0.15 . 1 . . . . 74 GLN N . 6621 1 905 . 1 1 74 74 GLN NE2 N 15 112.87 0.15 . 1 . . . . 74 GLN NE2 . 6621 1 906 . 1 1 75 75 SER H H 1 8.51 0.02 . 1 . . . . 75 SER H . 6621 1 907 . 1 1 75 75 SER HA H 1 4.44 0.02 . 1 . . . . 75 SER HA . 6621 1 908 . 1 1 75 75 SER N N 15 119.94 0.15 . 1 . . . . 75 SER N . 6621 1 909 . 1 1 76 76 LYS HA H 1 4.25 0.02 . 1 . . . . 76 LYS HA . 6621 1 910 . 1 1 76 76 LYS HB2 H 1 1.85 0.02 . 1 . . . . 76 LYS HB2 . 6621 1 911 . 1 1 76 76 LYS HB3 H 1 1.85 0.02 . 1 . . . . 76 LYS HB3 . 6621 1 912 . 1 1 76 76 LYS HG2 H 1 1.42 0.02 . 1 . . . . 76 LYS HG2 . 6621 1 913 . 1 1 76 76 LYS HG3 H 1 1.42 0.02 . 1 . . . . 76 LYS HG3 . 6621 1 914 . 1 1 76 76 LYS HD2 H 1 1.63 0.02 . 1 . . . . 76 LYS HD2 . 6621 1 915 . 1 1 76 76 LYS HD3 H 1 1.63 0.02 . 1 . . . . 76 LYS HD3 . 6621 1 916 . 1 1 76 76 LYS HE2 H 1 2.97 0.02 . 1 . . . . 76 LYS HE2 . 6621 1 917 . 1 1 76 76 LYS HE3 H 1 2.97 0.02 . 1 . . . . 76 LYS HE3 . 6621 1 918 . 1 1 76 76 LYS CA C 13 57.56 0.15 . 1 . . . . 76 LYS CA . 6621 1 919 . 1 1 76 76 LYS CB C 13 31.40 0.15 . 1 . . . . 76 LYS CB . 6621 1 920 . 1 1 76 76 LYS CG C 13 24.49 0.15 . 1 . . . . 76 LYS CG . 6621 1 921 . 1 1 76 76 LYS CD C 13 28.74 0.15 . 1 . . . . 76 LYS CD . 6621 1 922 . 1 1 76 76 LYS CE C 13 41.89 0.15 . 1 . . . . 76 LYS CE . 6621 1 923 . 1 1 77 77 ASN H H 1 7.93 0.02 . 1 . . . . 77 ASN H . 6621 1 924 . 1 1 77 77 ASN HA H 1 4.54 0.02 . 1 . . . . 77 ASN HA . 6621 1 925 . 1 1 77 77 ASN HB2 H 1 2.70 0.02 . 2 . . . . 77 ASN HB2 . 6621 1 926 . 1 1 77 77 ASN HB3 H 1 2.48 0.02 . 2 . . . . 77 ASN HB3 . 6621 1 927 . 1 1 77 77 ASN HD21 H 1 7.42 0.02 . 2 . . . . 77 ASN HD21 . 6621 1 928 . 1 1 77 77 ASN HD22 H 1 6.83 0.02 . 2 . . . . 77 ASN HD22 . 6621 1 929 . 1 1 77 77 ASN CA C 13 53.18 0.15 . 1 . . . . 77 ASN CA . 6621 1 930 . 1 1 77 77 ASN CB C 13 38.17 0.15 . 1 . . . . 77 ASN CB . 6621 1 931 . 1 1 77 77 ASN N N 15 116.58 0.15 . 1 . . . . 77 ASN N . 6621 1 932 . 1 1 77 77 ASN ND2 N 15 113.06 0.15 . 1 . . . . 77 ASN ND2 . 6621 1 933 . 1 1 78 78 PHE H H 1 7.57 0.02 . 1 . . . . 78 PHE H . 6621 1 934 . 1 1 78 78 PHE HA H 1 4.63 0.02 . 1 . . . . 78 PHE HA . 6621 1 935 . 1 1 78 78 PHE HB2 H 1 3.25 0.02 . 2 . . . . 78 PHE HB2 . 6621 1 936 . 1 1 78 78 PHE HB3 H 1 2.97 0.02 . 2 . . . . 78 PHE HB3 . 6621 1 937 . 1 1 78 78 PHE CA C 13 56.90 0.15 . 1 . . . . 78 PHE CA . 6621 1 938 . 1 1 78 78 PHE CB C 13 40.16 0.15 . 1 . . . . 78 PHE CB . 6621 1 939 . 1 1 78 78 PHE N N 15 120.79 0.15 . 1 . . . . 78 PHE N . 6621 1 940 . 1 1 79 79 HIS H H 1 8.18 0.02 . 1 . . . . 79 HIS H . 6621 1 941 . 1 1 79 79 HIS HA H 1 4.62 0.02 . 1 . . . . 79 HIS HA . 6621 1 942 . 1 1 79 79 HIS HB2 H 1 3.27 0.02 . 2 . . . . 79 HIS HB2 . 6621 1 943 . 1 1 79 79 HIS HB3 H 1 3.15 0.02 . 2 . . . . 79 HIS HB3 . 6621 1 944 . 1 1 79 79 HIS CA C 13 55.97 0.15 . 1 . . . . 79 HIS CA . 6621 1 945 . 1 1 79 79 HIS CB C 13 28.61 0.15 . 1 . . . . 79 HIS CB . 6621 1 946 . 1 1 79 79 HIS N N 15 120.29 0.15 . 1 . . . . 79 HIS N . 6621 1 947 . 1 1 80 80 LEU H H 1 7.08 0.02 . 1 . . . . 80 LEU H . 6621 1 948 . 1 1 80 80 LEU HA H 1 4.37 0.02 . 1 . . . . 80 LEU HA . 6621 1 949 . 1 1 80 80 LEU HB2 H 1 1.33 0.02 . 2 . . . . 80 LEU HB2 . 6621 1 950 . 1 1 80 80 LEU HB3 H 1 1.22 0.02 . 2 . . . . 80 LEU HB3 . 6621 1 951 . 1 1 80 80 LEU HG H 1 1.38 0.02 . 1 . . . . 80 LEU HG . 6621 1 952 . 1 1 80 80 LEU HD11 H 1 0.79 0.02 . 2 . . . . 80 LEU HD1 . 6621 1 953 . 1 1 80 80 LEU HD12 H 1 0.79 0.02 . 2 . . . . 80 LEU HD1 . 6621 1 954 . 1 1 80 80 LEU HD13 H 1 0.79 0.02 . 2 . . . . 80 LEU HD1 . 6621 1 955 . 1 1 80 80 LEU HD21 H 1 0.81 0.02 . 2 . . . . 80 LEU HD2 . 6621 1 956 . 1 1 80 80 LEU HD22 H 1 0.81 0.02 . 2 . . . . 80 LEU HD2 . 6621 1 957 . 1 1 80 80 LEU HD23 H 1 0.81 0.02 . 2 . . . . 80 LEU HD2 . 6621 1 958 . 1 1 80 80 LEU CA C 13 53.44 0.15 . 1 . . . . 80 LEU CA . 6621 1 959 . 1 1 80 80 LEU CB C 13 43.35 0.15 . 1 . . . . 80 LEU CB . 6621 1 960 . 1 1 80 80 LEU CG C 13 26.75 0.15 . 1 . . . . 80 LEU CG . 6621 1 961 . 1 1 80 80 LEU CD1 C 13 23.16 0.15 . 2 . . . . 80 LEU CD1 . 6621 1 962 . 1 1 80 80 LEU CD2 C 13 25.02 0.15 . 2 . . . . 80 LEU CD2 . 6621 1 963 . 1 1 80 80 LEU N N 15 120.21 0.15 . 1 . . . . 80 LEU N . 6621 1 964 . 1 1 81 81 ARG H H 1 8.52 0.02 . 1 . . . . 81 ARG H . 6621 1 965 . 1 1 81 81 ARG HA H 1 4.57 0.02 . 1 . . . . 81 ARG HA . 6621 1 966 . 1 1 81 81 ARG HB2 H 1 1.87 0.02 . 2 . . . . 81 ARG HB2 . 6621 1 967 . 1 1 81 81 ARG HB3 H 1 1.83 0.02 . 2 . . . . 81 ARG HB3 . 6621 1 968 . 1 1 81 81 ARG HG2 H 1 1.74 0.02 . 1 . . . . 81 ARG HG2 . 6621 1 969 . 1 1 81 81 ARG HG3 H 1 1.74 0.02 . 1 . . . . 81 ARG HG3 . 6621 1 970 . 1 1 81 81 ARG HD2 H 1 3.22 0.02 . 1 . . . . 81 ARG HD2 . 6621 1 971 . 1 1 81 81 ARG HD3 H 1 3.22 0.02 . 1 . . . . 81 ARG HD3 . 6621 1 972 . 1 1 81 81 ARG CB C 13 29.27 0.15 . 1 . . . . 81 ARG CB . 6621 1 973 . 1 1 81 81 ARG CG C 13 26.75 0.15 . 1 . . . . 81 ARG CG . 6621 1 974 . 1 1 81 81 ARG CD C 13 43.08 0.15 . 1 . . . . 81 ARG CD . 6621 1 975 . 1 1 81 81 ARG N N 15 122.35 0.15 . 1 . . . . 81 ARG N . 6621 1 976 . 1 1 82 82 PRO HA H 1 3.84 0.02 . 1 . . . . 82 PRO HA . 6621 1 977 . 1 1 82 82 PRO HB2 H 1 2.03 0.02 . 2 . . . . 82 PRO HB2 . 6621 1 978 . 1 1 82 82 PRO HB3 H 1 1.96 0.02 . 2 . . . . 82 PRO HB3 . 6621 1 979 . 1 1 82 82 PRO HG2 H 1 2.09 0.02 . 2 . . . . 82 PRO HG2 . 6621 1 980 . 1 1 82 82 PRO HG3 H 1 1.43 0.02 . 2 . . . . 82 PRO HG3 . 6621 1 981 . 1 1 82 82 PRO HD2 H 1 3.96 0.02 . 2 . . . . 82 PRO HD2 . 6621 1 982 . 1 1 82 82 PRO HD3 H 1 3.82 0.02 . 2 . . . . 82 PRO HD3 . 6621 1 983 . 1 1 82 82 PRO CA C 13 65.93 0.15 . 1 . . . . 82 PRO CA . 6621 1 984 . 1 1 82 82 PRO CB C 13 31.93 0.15 . 1 . . . . 82 PRO CB . 6621 1 985 . 1 1 82 82 PRO CG C 13 27.41 0.15 . 1 . . . . 82 PRO CG . 6621 1 986 . 1 1 82 82 PRO CD C 13 49.99 0.15 . 1 . . . . 82 PRO CD . 6621 1 987 . 1 1 83 83 ARG H H 1 8.45 0.02 . 1 . . . . 83 ARG H . 6621 1 988 . 1 1 83 83 ARG HA H 1 3.94 0.02 . 1 . . . . 83 ARG HA . 6621 1 989 . 1 1 83 83 ARG HB2 H 1 1.87 0.02 . 2 . . . . 83 ARG HB2 . 6621 1 990 . 1 1 83 83 ARG HB3 H 1 1.66 0.02 . 2 . . . . 83 ARG HB3 . 6621 1 991 . 1 1 83 83 ARG HG2 H 1 1.60 0.02 . 1 . . . . 83 ARG HG2 . 6621 1 992 . 1 1 83 83 ARG HG3 H 1 1.60 0.02 . 1 . . . . 83 ARG HG3 . 6621 1 993 . 1 1 83 83 ARG HD2 H 1 3.13 0.02 . 1 . . . . 83 ARG HD2 . 6621 1 994 . 1 1 83 83 ARG HD3 H 1 3.13 0.02 . 1 . . . . 83 ARG HD3 . 6621 1 995 . 1 1 83 83 ARG CA C 13 58.62 0.15 . 1 . . . . 83 ARG CA . 6621 1 996 . 1 1 83 83 ARG CB C 13 30.07 0.15 . 1 . . . . 83 ARG CB . 6621 1 997 . 1 1 83 83 ARG CG C 13 25.95 0.15 . 1 . . . . 83 ARG CG . 6621 1 998 . 1 1 83 83 ARG CD C 13 43.08 0.15 . 1 . . . . 83 ARG CD . 6621 1 999 . 1 1 83 83 ARG N N 15 116.42 0.15 . 1 . . . . 83 ARG N . 6621 1 1000 . 1 1 84 84 ASP H H 1 7.23 0.02 . 1 . . . . 84 ASP H . 6621 1 1001 . 1 1 84 84 ASP HA H 1 4.42 0.02 . 1 . . . . 84 ASP HA . 6621 1 1002 . 1 1 84 84 ASP HB2 H 1 2.99 0.02 . 2 . . . . 84 ASP HB2 . 6621 1 1003 . 1 1 84 84 ASP HB3 H 1 2.73 0.02 . 2 . . . . 84 ASP HB3 . 6621 1 1004 . 1 1 84 84 ASP CA C 13 56.90 0.15 . 1 . . . . 84 ASP CA . 6621 1 1005 . 1 1 84 84 ASP CB C 13 39.63 0.15 . 1 . . . . 84 ASP CB . 6621 1 1006 . 1 1 84 84 ASP N N 15 119.99 0.15 . 1 . . . . 84 ASP N . 6621 1 1007 . 1 1 85 85 LEU H H 1 7.70 0.02 . 1 . . . . 85 LEU H . 6621 1 1008 . 1 1 85 85 LEU HA H 1 4.03 0.02 . 1 . . . . 85 LEU HA . 6621 1 1009 . 1 1 85 85 LEU HB2 H 1 1.70 0.02 . 2 . . . . 85 LEU HB2 . 6621 1 1010 . 1 1 85 85 LEU HB3 H 1 1.34 0.02 . 2 . . . . 85 LEU HB3 . 6621 1 1011 . 1 1 85 85 LEU HG H 1 1.62 0.02 . 1 . . . . 85 LEU HG . 6621 1 1012 . 1 1 85 85 LEU HD11 H 1 0.87 0.02 . 2 . . . . 85 LEU HD1 . 6621 1 1013 . 1 1 85 85 LEU HD12 H 1 0.87 0.02 . 2 . . . . 85 LEU HD1 . 6621 1 1014 . 1 1 85 85 LEU HD13 H 1 0.87 0.02 . 2 . . . . 85 LEU HD1 . 6621 1 1015 . 1 1 85 85 LEU HD21 H 1 0.86 0.02 . 2 . . . . 85 LEU HD2 . 6621 1 1016 . 1 1 85 85 LEU HD22 H 1 0.86 0.02 . 2 . . . . 85 LEU HD2 . 6621 1 1017 . 1 1 85 85 LEU HD23 H 1 0.86 0.02 . 2 . . . . 85 LEU HD2 . 6621 1 1018 . 1 1 85 85 LEU CA C 13 57.69 0.15 . 1 . . . . 85 LEU CA . 6621 1 1019 . 1 1 85 85 LEU CB C 13 41.75 0.15 . 1 . . . . 85 LEU CB . 6621 1 1020 . 1 1 85 85 LEU CG C 13 26.75 0.15 . 1 . . . . 85 LEU CG . 6621 1 1021 . 1 1 85 85 LEU CD1 C 13 23.96 0.15 . 2 . . . . 85 LEU CD1 . 6621 1 1022 . 1 1 85 85 LEU CD2 C 13 23.16 0.15 . 2 . . . . 85 LEU CD2 . 6621 1 1023 . 1 1 85 85 LEU N N 15 122.79 0.15 . 1 . . . . 85 LEU N . 6621 1 1024 . 1 1 86 86 ILE H H 1 8.37 0.02 . 1 . . . . 86 ILE H . 6621 1 1025 . 1 1 86 86 ILE HA H 1 3.63 0.02 . 1 . . . . 86 ILE HA . 6621 1 1026 . 1 1 86 86 ILE HB H 1 2.03 0.02 . 1 . . . . 86 ILE HB . 6621 1 1027 . 1 1 86 86 ILE HG12 H 1 1.57 0.02 . 2 . . . . 86 ILE HG12 . 6621 1 1028 . 1 1 86 86 ILE HG13 H 1 1.28 0.02 . 2 . . . . 86 ILE HG13 . 6621 1 1029 . 1 1 86 86 ILE HG21 H 1 0.90 0.02 . 1 . . . . 86 ILE HG2 . 6621 1 1030 . 1 1 86 86 ILE HG22 H 1 0.90 0.02 . 1 . . . . 86 ILE HG2 . 6621 1 1031 . 1 1 86 86 ILE HG23 H 1 0.90 0.02 . 1 . . . . 86 ILE HG2 . 6621 1 1032 . 1 1 86 86 ILE HD11 H 1 0.69 0.02 . 1 . . . . 86 ILE HD1 . 6621 1 1033 . 1 1 86 86 ILE HD12 H 1 0.69 0.02 . 1 . . . . 86 ILE HD1 . 6621 1 1034 . 1 1 86 86 ILE HD13 H 1 0.69 0.02 . 1 . . . . 86 ILE HD1 . 6621 1 1035 . 1 1 86 86 ILE CA C 13 62.34 0.15 . 1 . . . . 86 ILE CA . 6621 1 1036 . 1 1 86 86 ILE CB C 13 34.98 0.15 . 1 . . . . 86 ILE CB . 6621 1 1037 . 1 1 86 86 ILE CG1 C 13 27.68 0.15 . 1 . . . . 86 ILE CG1 . 6621 1 1038 . 1 1 86 86 ILE CG2 C 13 17.32 0.15 . 1 . . . . 86 ILE CG2 . 6621 1 1039 . 1 1 86 86 ILE CD1 C 13 9.35 0.15 . 1 . . . . 86 ILE CD1 . 6621 1 1040 . 1 1 86 86 ILE N N 15 119.29 0.15 . 1 . . . . 86 ILE N . 6621 1 1041 . 1 1 87 87 SER H H 1 8.00 0.02 . 1 . . . . 87 SER H . 6621 1 1042 . 1 1 87 87 SER HA H 1 4.25 0.02 . 1 . . . . 87 SER HA . 6621 1 1043 . 1 1 87 87 SER HB2 H 1 3.99 0.02 . 1 . . . . 87 SER HB2 . 6621 1 1044 . 1 1 87 87 SER HB3 H 1 3.99 0.02 . 1 . . . . 87 SER HB3 . 6621 1 1045 . 1 1 87 87 SER CA C 13 61.28 0.15 . 1 . . . . 87 SER CA . 6621 1 1046 . 1 1 87 87 SER CB C 13 62.47 0.15 . 1 . . . . 87 SER CB . 6621 1 1047 . 1 1 87 87 SER N N 15 116.09 0.15 . 1 . . . . 87 SER N . 6621 1 1048 . 1 1 88 88 ASN H H 1 7.76 0.02 . 1 . . . . 88 ASN H . 6621 1 1049 . 1 1 88 88 ASN HA H 1 4.43 0.02 . 1 . . . . 88 ASN HA . 6621 1 1050 . 1 1 88 88 ASN HB2 H 1 3.00 0.02 . 2 . . . . 88 ASN HB2 . 6621 1 1051 . 1 1 88 88 ASN HB3 H 1 2.77 0.02 . 2 . . . . 88 ASN HB3 . 6621 1 1052 . 1 1 88 88 ASN HD21 H 1 7.65 0.02 . 2 . . . . 88 ASN HD21 . 6621 1 1053 . 1 1 88 88 ASN HD22 H 1 6.90 0.02 . 2 . . . . 88 ASN HD22 . 6621 1 1054 . 1 1 88 88 ASN CA C 13 57.29 0.15 . 1 . . . . 88 ASN CA . 6621 1 1055 . 1 1 88 88 ASN CB C 13 38.17 0.15 . 1 . . . . 88 ASN CB . 6621 1 1056 . 1 1 88 88 ASN N N 15 120.60 0.15 . 1 . . . . 88 ASN N . 6621 1 1057 . 1 1 88 88 ASN ND2 N 15 112.09 0.15 . 1 . . . . 88 ASN ND2 . 6621 1 1058 . 1 1 89 89 ILE H H 1 8.13 0.02 . 1 . . . . 89 ILE H . 6621 1 1059 . 1 1 89 89 ILE HA H 1 3.46 0.02 . 1 . . . . 89 ILE HA . 6621 1 1060 . 1 1 89 89 ILE HB H 1 1.84 0.02 . 1 . . . . 89 ILE HB . 6621 1 1061 . 1 1 89 89 ILE HG12 H 1 2.06 0.02 . 2 . . . . 89 ILE HG12 . 6621 1 1062 . 1 1 89 89 ILE HG13 H 1 0.83 0.02 . 2 . . . . 89 ILE HG13 . 6621 1 1063 . 1 1 89 89 ILE HG21 H 1 0.70 0.02 . 1 . . . . 89 ILE HG2 . 6621 1 1064 . 1 1 89 89 ILE HG22 H 1 0.70 0.02 . 1 . . . . 89 ILE HG2 . 6621 1 1065 . 1 1 89 89 ILE HG23 H 1 0.70 0.02 . 1 . . . . 89 ILE HG2 . 6621 1 1066 . 1 1 89 89 ILE HD11 H 1 0.65 0.02 . 1 . . . . 89 ILE HD1 . 6621 1 1067 . 1 1 89 89 ILE HD12 H 1 0.65 0.02 . 1 . . . . 89 ILE HD1 . 6621 1 1068 . 1 1 89 89 ILE HD13 H 1 0.65 0.02 . 1 . . . . 89 ILE HD1 . 6621 1 1069 . 1 1 89 89 ILE CA C 13 65.79 0.15 . 1 . . . . 89 ILE CA . 6621 1 1070 . 1 1 89 89 ILE CB C 13 37.90 0.15 . 1 . . . . 89 ILE CB . 6621 1 1071 . 1 1 89 89 ILE CG1 C 13 29.27 0.15 . 1 . . . . 89 ILE CG1 . 6621 1 1072 . 1 1 89 89 ILE CG2 C 13 16.79 0.15 . 1 . . . . 89 ILE CG2 . 6621 1 1073 . 1 1 89 89 ILE CD1 C 13 13.07 0.15 . 1 . . . . 89 ILE CD1 . 6621 1 1074 . 1 1 89 89 ILE N N 15 120.21 0.15 . 1 . . . . 89 ILE N . 6621 1 1075 . 1 1 90 90 ASN H H 1 8.50 0.02 . 1 . . . . 90 ASN H . 6621 1 1076 . 1 1 90 90 ASN HA H 1 4.11 0.02 . 1 . . . . 90 ASN HA . 6621 1 1077 . 1 1 90 90 ASN HB2 H 1 3.00 0.02 . 2 . . . . 90 ASN HB2 . 6621 1 1078 . 1 1 90 90 ASN HB3 H 1 2.75 0.02 . 2 . . . . 90 ASN HB3 . 6621 1 1079 . 1 1 90 90 ASN HD21 H 1 7.46 0.02 . 2 . . . . 90 ASN HD21 . 6621 1 1080 . 1 1 90 90 ASN HD22 H 1 6.90 0.02 . 2 . . . . 90 ASN HD22 . 6621 1 1081 . 1 1 90 90 ASN CA C 13 56.90 0.15 . 1 . . . . 90 ASN CA . 6621 1 1082 . 1 1 90 90 ASN CB C 13 38.96 0.15 . 1 . . . . 90 ASN CB . 6621 1 1083 . 1 1 90 90 ASN N N 15 118.40 0.15 . 1 . . . . 90 ASN N . 6621 1 1084 . 1 1 90 90 ASN ND2 N 15 114.23 0.15 . 1 . . . . 90 ASN ND2 . 6621 1 1085 . 1 1 91 91 VAL H H 1 7.93 0.02 . 1 . . . . 91 VAL H . 6621 1 1086 . 1 1 91 91 VAL HA H 1 3.63 0.02 . 1 . . . . 91 VAL HA . 6621 1 1087 . 1 1 91 91 VAL HB H 1 2.20 0.02 . 1 . . . . 91 VAL HB . 6621 1 1088 . 1 1 91 91 VAL HG11 H 1 1.11 0.02 . 2 . . . . 91 VAL HG1 . 6621 1 1089 . 1 1 91 91 VAL HG12 H 1 1.11 0.02 . 2 . . . . 91 VAL HG1 . 6621 1 1090 . 1 1 91 91 VAL HG13 H 1 1.11 0.02 . 2 . . . . 91 VAL HG1 . 6621 1 1091 . 1 1 91 91 VAL HG21 H 1 0.97 0.02 . 2 . . . . 91 VAL HG2 . 6621 1 1092 . 1 1 91 91 VAL HG22 H 1 0.97 0.02 . 2 . . . . 91 VAL HG2 . 6621 1 1093 . 1 1 91 91 VAL HG23 H 1 0.97 0.02 . 2 . . . . 91 VAL HG2 . 6621 1 1094 . 1 1 91 91 VAL CA C 13 66.06 0.15 . 1 . . . . 91 VAL CA . 6621 1 1095 . 1 1 91 91 VAL CB C 13 31.13 0.15 . 1 . . . . 91 VAL CB . 6621 1 1096 . 1 1 91 91 VAL CG1 C 13 21.83 0.15 . 2 . . . . 91 VAL CG1 . 6621 1 1097 . 1 1 91 91 VAL CG2 C 13 20.24 0.15 . 2 . . . . 91 VAL CG2 . 6621 1 1098 . 1 1 91 91 VAL N N 15 117.79 0.15 . 1 . . . . 91 VAL N . 6621 1 1099 . 1 1 92 92 ILE H H 1 7.69 0.02 . 1 . . . . 92 ILE H . 6621 1 1100 . 1 1 92 92 ILE HA H 1 3.69 0.02 . 1 . . . . 92 ILE HA . 6621 1 1101 . 1 1 92 92 ILE HB H 1 1.83 0.02 . 1 . . . . 92 ILE HB . 6621 1 1102 . 1 1 92 92 ILE HG12 H 1 1.80 0.02 . 2 . . . . 92 ILE HG12 . 6621 1 1103 . 1 1 92 92 ILE HG13 H 1 0.98 0.02 . 2 . . . . 92 ILE HG13 . 6621 1 1104 . 1 1 92 92 ILE HG21 H 1 0.90 0.02 . 1 . . . . 92 ILE HG2 . 6621 1 1105 . 1 1 92 92 ILE HG22 H 1 0.90 0.02 . 1 . . . . 92 ILE HG2 . 6621 1 1106 . 1 1 92 92 ILE HG23 H 1 0.90 0.02 . 1 . . . . 92 ILE HG2 . 6621 1 1107 . 1 1 92 92 ILE HD11 H 1 0.72 0.02 . 1 . . . . 92 ILE HD1 . 6621 1 1108 . 1 1 92 92 ILE HD12 H 1 0.72 0.02 . 1 . . . . 92 ILE HD1 . 6621 1 1109 . 1 1 92 92 ILE HD13 H 1 0.72 0.02 . 1 . . . . 92 ILE HD1 . 6621 1 1110 . 1 1 92 92 ILE CA C 13 65.26 0.15 . 1 . . . . 92 ILE CA . 6621 1 1111 . 1 1 92 92 ILE CB C 13 37.90 0.15 . 1 . . . . 92 ILE CB . 6621 1 1112 . 1 1 92 92 ILE CG1 C 13 28.61 0.15 . 1 . . . . 92 ILE CG1 . 6621 1 1113 . 1 1 92 92 ILE CG2 C 13 18.65 0.15 . 1 . . . . 92 ILE CG2 . 6621 1 1114 . 1 1 92 92 ILE CD1 C 13 13.07 0.15 . 1 . . . . 92 ILE CD1 . 6621 1 1115 . 1 1 92 92 ILE N N 15 121.75 0.15 . 1 . . . . 92 ILE N . 6621 1 1116 . 1 1 93 93 VAL H H 1 8.68 0.02 . 1 . . . . 93 VAL H . 6621 1 1117 . 1 1 93 93 VAL HA H 1 3.42 0.02 . 1 . . . . 93 VAL HA . 6621 1 1118 . 1 1 93 93 VAL HB H 1 2.20 0.02 . 1 . . . . 93 VAL HB . 6621 1 1119 . 1 1 93 93 VAL HG11 H 1 0.94 0.02 . 2 . . . . 93 VAL HG1 . 6621 1 1120 . 1 1 93 93 VAL HG12 H 1 0.94 0.02 . 2 . . . . 93 VAL HG1 . 6621 1 1121 . 1 1 93 93 VAL HG13 H 1 0.94 0.02 . 2 . . . . 93 VAL HG1 . 6621 1 1122 . 1 1 93 93 VAL HG21 H 1 0.83 0.02 . 2 . . . . 93 VAL HG2 . 6621 1 1123 . 1 1 93 93 VAL HG22 H 1 0.83 0.02 . 2 . . . . 93 VAL HG2 . 6621 1 1124 . 1 1 93 93 VAL HG23 H 1 0.83 0.02 . 2 . . . . 93 VAL HG2 . 6621 1 1125 . 1 1 93 93 VAL CA C 13 67.25 0.15 . 1 . . . . 93 VAL CA . 6621 1 1126 . 1 1 93 93 VAL CB C 13 30.33 0.15 . 1 . . . . 93 VAL CB . 6621 1 1127 . 1 1 93 93 VAL CG1 C 13 23.69 0.15 . 2 . . . . 93 VAL CG1 . 6621 1 1128 . 1 1 93 93 VAL CG2 C 13 21.83 0.15 . 2 . . . . 93 VAL CG2 . 6621 1 1129 . 1 1 93 93 VAL N N 15 119.84 0.15 . 1 . . . . 93 VAL N . 6621 1 1130 . 1 1 94 94 LEU H H 1 8.14 0.02 . 1 . . . . 94 LEU H . 6621 1 1131 . 1 1 94 94 LEU HA H 1 3.87 0.02 . 1 . . . . 94 LEU HA . 6621 1 1132 . 1 1 94 94 LEU HB2 H 1 1.87 0.02 . 2 . . . . 94 LEU HB2 . 6621 1 1133 . 1 1 94 94 LEU HB3 H 1 1.46 0.02 . 2 . . . . 94 LEU HB3 . 6621 1 1134 . 1 1 94 94 LEU HG H 1 1.62 0.02 . 1 . . . . 94 LEU HG . 6621 1 1135 . 1 1 94 94 LEU HD11 H 1 0.83 0.02 . 2 . . . . 94 LEU HD1 . 6621 1 1136 . 1 1 94 94 LEU HD12 H 1 0.83 0.02 . 2 . . . . 94 LEU HD1 . 6621 1 1137 . 1 1 94 94 LEU HD13 H 1 0.83 0.02 . 2 . . . . 94 LEU HD1 . 6621 1 1138 . 1 1 94 94 LEU HD21 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 6621 1 1139 . 1 1 94 94 LEU HD22 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 6621 1 1140 . 1 1 94 94 LEU HD23 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 6621 1 1141 . 1 1 94 94 LEU CA C 13 57.43 0.15 . 1 . . . . 94 LEU CA . 6621 1 1142 . 1 1 94 94 LEU CB C 13 40.69 0.15 . 1 . . . . 94 LEU CB . 6621 1 1143 . 1 1 94 94 LEU CG C 13 26.75 0.15 . 1 . . . . 94 LEU CG . 6621 1 1144 . 1 1 94 94 LEU CD1 C 13 22.36 0.15 . 2 . . . . 94 LEU CD1 . 6621 1 1145 . 1 1 94 94 LEU CD2 C 13 26.88 0.15 . 2 . . . . 94 LEU CD2 . 6621 1 1146 . 1 1 94 94 LEU N N 15 119.49 0.15 . 1 . . . . 94 LEU N . 6621 1 1147 . 1 1 95 95 GLU H H 1 7.74 0.02 . 1 . . . . 95 GLU H . 6621 1 1148 . 1 1 95 95 GLU HA H 1 4.04 0.02 . 1 . . . . 95 GLU HA . 6621 1 1149 . 1 1 95 95 GLU HB2 H 1 2.22 0.02 . 2 . . . . 95 GLU HB2 . 6621 1 1150 . 1 1 95 95 GLU HB3 H 1 2.00 0.02 . 2 . . . . 95 GLU HB3 . 6621 1 1151 . 1 1 95 95 GLU HG2 H 1 2.46 0.02 . 2 . . . . 95 GLU HG2 . 6621 1 1152 . 1 1 95 95 GLU HG3 H 1 2.27 0.02 . 2 . . . . 95 GLU HG3 . 6621 1 1153 . 1 1 95 95 GLU CA C 13 58.36 0.15 . 1 . . . . 95 GLU CA . 6621 1 1154 . 1 1 95 95 GLU CB C 13 29.00 0.15 . 1 . . . . 95 GLU CB . 6621 1 1155 . 1 1 95 95 GLU CG C 13 35.11 0.15 . 1 . . . . 95 GLU CG . 6621 1 1156 . 1 1 95 95 GLU N N 15 119.93 0.15 . 1 . . . . 95 GLU N . 6621 1 1157 . 1 1 96 96 LEU H H 1 8.21 0.02 . 1 . . . . 96 LEU H . 6621 1 1158 . 1 1 96 96 LEU HA H 1 4.18 0.02 . 1 . . . . 96 LEU HA . 6621 1 1159 . 1 1 96 96 LEU HB2 H 1 1.87 0.02 . 1 . . . . 96 LEU HB2 . 6621 1 1160 . 1 1 96 96 LEU HB3 H 1 1.33 0.02 . 1 . . . . 96 LEU HB3 . 6621 1 1161 . 1 1 96 96 LEU HG H 1 1.62 0.02 . 1 . . . . 96 LEU HG . 6621 1 1162 . 1 1 96 96 LEU HD11 H 1 0.99 0.02 . 2 . . . . 96 LEU HD1 . 6621 1 1163 . 1 1 96 96 LEU HD12 H 1 0.99 0.02 . 2 . . . . 96 LEU HD1 . 6621 1 1164 . 1 1 96 96 LEU HD13 H 1 0.99 0.02 . 2 . . . . 96 LEU HD1 . 6621 1 1165 . 1 1 96 96 LEU HD21 H 1 0.73 0.02 . 2 . . . . 96 LEU HD2 . 6621 1 1166 . 1 1 96 96 LEU HD22 H 1 0.73 0.02 . 2 . . . . 96 LEU HD2 . 6621 1 1167 . 1 1 96 96 LEU HD23 H 1 0.73 0.02 . 2 . . . . 96 LEU HD2 . 6621 1 1168 . 1 1 96 96 LEU CA C 13 56.10 0.15 . 1 . . . . 96 LEU CA . 6621 1 1169 . 1 1 96 96 LEU CB C 13 43.35 0.15 . 1 . . . . 96 LEU CB . 6621 1 1170 . 1 1 96 96 LEU CG C 13 26.75 0.15 . 1 . . . . 96 LEU CG . 6621 1 1171 . 1 1 96 96 LEU CD1 C 13 24.22 0.15 . 2 . . . . 96 LEU CD1 . 6621 1 1172 . 1 1 96 96 LEU CD2 C 13 26.61 0.15 . 2 . . . . 96 LEU CD2 . 6621 1 1173 . 1 1 96 96 LEU N N 15 119.90 0.15 . 1 . . . . 96 LEU N . 6621 1 1174 . 1 1 97 97 LYS H H 1 8.33 0.02 . 1 . . . . 97 LYS H . 6621 1 1175 . 1 1 97 97 LYS HA H 1 4.07 0.02 . 1 . . . . 97 LYS HA . 6621 1 1176 . 1 1 97 97 LYS HB2 H 1 1.93 0.02 . 2 . . . . 97 LYS HB2 . 6621 1 1177 . 1 1 97 97 LYS HB3 H 1 1.74 0.02 . 2 . . . . 97 LYS HB3 . 6621 1 1178 . 1 1 97 97 LYS HG2 H 1 1.58 0.02 . 1 . . . . 97 LYS HG2 . 6621 1 1179 . 1 1 97 97 LYS HG3 H 1 1.58 0.02 . 1 . . . . 97 LYS HG3 . 6621 1 1180 . 1 1 97 97 LYS HD2 H 1 1.66 0.02 . 1 . . . . 97 LYS HD2 . 6621 1 1181 . 1 1 97 97 LYS HD3 H 1 1.66 0.02 . 1 . . . . 97 LYS HD3 . 6621 1 1182 . 1 1 97 97 LYS HE2 H 1 2.95 0.02 . 1 . . . . 97 LYS HE2 . 6621 1 1183 . 1 1 97 97 LYS HE3 H 1 2.95 0.02 . 1 . . . . 97 LYS HE3 . 6621 1 1184 . 1 1 97 97 LYS CA C 13 57.29 0.15 . 1 . . . . 97 LYS CA . 6621 1 1185 . 1 1 97 97 LYS CB C 13 32.32 0.15 . 1 . . . . 97 LYS CB . 6621 1 1186 . 1 1 97 97 LYS CG C 13 23.69 0.15 . 1 . . . . 97 LYS CG . 6621 1 1187 . 1 1 97 97 LYS CD C 13 28.74 0.15 . 1 . . . . 97 LYS CD . 6621 1 1188 . 1 1 97 97 LYS CE C 13 41.89 0.15 . 1 . . . . 97 LYS CE . 6621 1 1189 . 1 1 97 97 LYS N N 15 117.75 0.15 . 1 . . . . 97 LYS N . 6621 1 1190 . 1 1 98 98 GLY H H 1 7.52 0.02 . 1 . . . . 98 GLY H . 6621 1 1191 . 1 1 98 98 GLY HA2 H 1 4.29 0.02 . 2 . . . . 98 GLY HA2 . 6621 1 1192 . 1 1 98 98 GLY HA3 H 1 3.86 0.02 . 2 . . . . 98 GLY HA3 . 6621 1 1193 . 1 1 98 98 GLY CA C 13 44.94 0.15 . 1 . . . . 98 GLY CA . 6621 1 1194 . 1 1 98 98 GLY N N 15 108.68 0.15 . 1 . . . . 98 GLY N . 6621 1 1195 . 1 1 99 99 SER H H 1 8.39 0.02 . 1 . . . . 99 SER H . 6621 1 1196 . 1 1 99 99 SER HA H 1 4.50 0.02 . 1 . . . . 99 SER HA . 6621 1 1197 . 1 1 99 99 SER HB2 H 1 3.98 0.02 . 2 . . . . 99 SER HB2 . 6621 1 1198 . 1 1 99 99 SER HB3 H 1 3.91 0.02 . 2 . . . . 99 SER HB3 . 6621 1 1199 . 1 1 99 99 SER CA C 13 57.69 0.15 . 1 . . . . 99 SER CA . 6621 1 1200 . 1 1 99 99 SER CB C 13 63.40 0.15 . 1 . . . . 99 SER CB . 6621 1 1201 . 1 1 99 99 SER N N 15 116.68 0.15 . 1 . . . . 99 SER N . 6621 1 1202 . 1 1 100 100 GLU H H 1 8.36 0.02 . 1 . . . . 100 GLU H . 6621 1 1203 . 1 1 100 100 GLU HA H 1 4.40 0.02 . 1 . . . . 100 GLU HA . 6621 1 1204 . 1 1 100 100 GLU HB2 H 1 2.12 0.02 . 2 . . . . 100 GLU HB2 . 6621 1 1205 . 1 1 100 100 GLU HB3 H 1 1.96 0.02 . 2 . . . . 100 GLU HB3 . 6621 1 1206 . 1 1 100 100 GLU HG2 H 1 2.30 0.02 . 1 . . . . 100 GLU HG2 . 6621 1 1207 . 1 1 100 100 GLU HG3 H 1 2.30 0.02 . 1 . . . . 100 GLU HG3 . 6621 1 1208 . 1 1 100 100 GLU CA C 13 56.23 0.15 . 1 . . . . 100 GLU CA . 6621 1 1209 . 1 1 100 100 GLU CB C 13 29.27 0.15 . 1 . . . . 100 GLU CB . 6621 1 1210 . 1 1 100 100 GLU CG C 13 35.64 0.15 . 1 . . . . 100 GLU CG . 6621 1 1211 . 1 1 100 100 GLU N N 15 123.42 0.15 . 1 . . . . 100 GLU N . 6621 1 1212 . 1 1 101 101 THR H H 1 8.14 0.02 . 1 . . . . 101 THR H . 6621 1 1213 . 1 1 101 101 THR HA H 1 4.32 0.02 . 1 . . . . 101 THR HA . 6621 1 1214 . 1 1 101 101 THR HB H 1 4.21 0.02 . 1 . . . . 101 THR HB . 6621 1 1215 . 1 1 101 101 THR HG21 H 1 1.20 0.02 . 1 . . . . 101 THR HG2 . 6621 1 1216 . 1 1 101 101 THR HG22 H 1 1.20 0.02 . 1 . . . . 101 THR HG2 . 6621 1 1217 . 1 1 101 101 THR HG23 H 1 1.20 0.02 . 1 . . . . 101 THR HG2 . 6621 1 1218 . 1 1 101 101 THR CA C 13 61.54 0.15 . 1 . . . . 101 THR CA . 6621 1 1219 . 1 1 101 101 THR CB C 13 69.25 0.15 . 1 . . . . 101 THR CB . 6621 1 1220 . 1 1 101 101 THR CG2 C 13 20.51 0.15 . 1 . . . . 101 THR CG2 . 6621 1 1221 . 1 1 101 101 THR N N 15 116.21 0.15 . 1 . . . . 101 THR N . 6621 1 1222 . 1 1 102 102 THR H H 1 8.10 0.02 . 1 . . . . 102 THR H . 6621 1 1223 . 1 1 102 102 THR HA H 1 4.32 0.02 . 1 . . . . 102 THR HA . 6621 1 1224 . 1 1 102 102 THR HB H 1 4.21 0.02 . 1 . . . . 102 THR HB . 6621 1 1225 . 1 1 102 102 THR HG21 H 1 1.17 0.02 . 1 . . . . 102 THR HG2 . 6621 1 1226 . 1 1 102 102 THR HG22 H 1 1.17 0.02 . 1 . . . . 102 THR HG2 . 6621 1 1227 . 1 1 102 102 THR HG23 H 1 1.17 0.02 . 1 . . . . 102 THR HG2 . 6621 1 1228 . 1 1 102 102 THR CA C 13 61.28 0.15 . 1 . . . . 102 THR CA . 6621 1 1229 . 1 1 102 102 THR CB C 13 69.25 0.15 . 1 . . . . 102 THR CB . 6621 1 1230 . 1 1 102 102 THR CG2 C 13 20.77 0.15 . 1 . . . . 102 THR CG2 . 6621 1 1231 . 1 1 102 102 THR N N 15 116.88 0.15 . 1 . . . . 102 THR N . 6621 1 1232 . 1 1 103 103 PHE H H 1 8.07 0.02 . 1 . . . . 103 PHE H . 6621 1 1233 . 1 1 103 103 PHE HA H 1 4.56 0.02 . 1 . . . . 103 PHE HA . 6621 1 1234 . 1 1 103 103 PHE HB2 H 1 3.06 0.02 . 2 . . . . 103 PHE HB2 . 6621 1 1235 . 1 1 103 103 PHE HB3 H 1 2.94 0.02 . 2 . . . . 103 PHE HB3 . 6621 1 1236 . 1 1 103 103 PHE CA C 13 57.29 0.15 . 1 . . . . 103 PHE CA . 6621 1 1237 . 1 1 103 103 PHE CB C 13 40.03 0.15 . 1 . . . . 103 PHE CB . 6621 1 1238 . 1 1 103 103 PHE N N 15 125.24 0.15 . 1 . . . . 103 PHE N . 6621 1 1239 . 1 1 104 104 MET H H 1 7.74 0.02 . 1 . . . . 104 MET H . 6621 1 1240 . 1 1 104 104 MET HA H 1 4.36 0.02 . 1 . . . . 104 MET HA . 6621 1 1241 . 1 1 104 104 MET HB2 H 1 1.83 0.02 . 2 . . . . 104 MET HB2 . 6621 1 1242 . 1 1 104 104 MET HB3 H 1 1.76 0.02 . 2 . . . . 104 MET HB3 . 6621 1 1243 . 1 1 104 104 MET HG2 H 1 2.42 0.02 . 2 . . . . 104 MET HG2 . 6621 1 1244 . 1 1 104 104 MET HG3 H 1 2.33 0.02 . 2 . . . . 104 MET HG3 . 6621 1 1245 . 1 1 104 104 MET HE1 H 1 2.09 0.02 . 1 . . . . 104 MET HE . 6621 1 1246 . 1 1 104 104 MET HE2 H 1 2.09 0.02 . 1 . . . . 104 MET HE . 6621 1 1247 . 1 1 104 104 MET HE3 H 1 2.09 0.02 . 1 . . . . 104 MET HE . 6621 1 1248 . 1 1 104 104 MET CA C 13 53.44 0.15 . 1 . . . . 104 MET CA . 6621 1 1249 . 1 1 104 104 MET CB C 13 32.99 0.15 . 1 . . . . 104 MET CB . 6621 1 1250 . 1 1 104 104 MET CG C 13 31.40 0.15 . 1 . . . . 104 MET CG . 6621 1 1251 . 1 1 104 104 MET CE C 13 16.65 0.15 . 1 . . . . 104 MET CE . 6621 1 1252 . 1 1 104 104 MET N N 15 125.93 0.15 . 1 . . . . 104 MET N . 6621 1 1253 . 1 1 105 105 CYS H H 1 8.65 0.02 . 1 . . . . 105 CYS H . 6621 1 1254 . 1 1 105 105 CYS HA H 1 4.05 0.02 . 1 . . . . 105 CYS HA . 6621 1 1255 . 1 1 105 105 CYS HB2 H 1 2.67 0.02 . 1 . . . . 105 CYS HB2 . 6621 1 1256 . 1 1 105 105 CYS HB3 H 1 2.67 0.02 . 1 . . . . 105 CYS HB3 . 6621 1 1257 . 1 1 105 105 CYS CA C 13 57.16 0.15 . 1 . . . . 105 CYS CA . 6621 1 1258 . 1 1 105 105 CYS N N 15 123.96 0.15 . 1 . . . . 105 CYS N . 6621 1 1259 . 1 1 106 106 GLU H H 1 8.06 0.02 . 1 . . . . 106 GLU H . 6621 1 1260 . 1 1 106 106 GLU HA H 1 4.38 0.02 . 1 . . . . 106 GLU HA . 6621 1 1261 . 1 1 106 106 GLU HB2 H 1 1.92 0.02 . 2 . . . . 106 GLU HB2 . 6621 1 1262 . 1 1 106 106 GLU HB3 H 1 1.88 0.02 . 2 . . . . 106 GLU HB3 . 6621 1 1263 . 1 1 106 106 GLU HG2 H 1 2.27 0.02 . 2 . . . . 106 GLU HG2 . 6621 1 1264 . 1 1 106 106 GLU HG3 H 1 2.06 0.02 . 2 . . . . 106 GLU HG3 . 6621 1 1265 . 1 1 106 106 GLU CA C 13 54.51 0.15 . 1 . . . . 106 GLU CA . 6621 1 1266 . 1 1 106 106 GLU CB C 13 30.60 0.15 . 1 . . . . 106 GLU CB . 6621 1 1267 . 1 1 106 106 GLU CG C 13 35.64 0.15 . 1 . . . . 106 GLU CG . 6621 1 1268 . 1 1 106 106 GLU N N 15 128.10 0.15 . 1 . . . . 106 GLU N . 6621 1 1269 . 1 1 107 107 TYR H H 1 8.70 0.02 . 1 . . . . 107 TYR H . 6621 1 1270 . 1 1 107 107 TYR HA H 1 4.99 0.02 . 1 . . . . 107 TYR HA . 6621 1 1271 . 1 1 107 107 TYR HB2 H 1 3.22 0.02 . 2 . . . . 107 TYR HB2 . 6621 1 1272 . 1 1 107 107 TYR HB3 H 1 2.72 0.02 . 2 . . . . 107 TYR HB3 . 6621 1 1273 . 1 1 107 107 TYR CA C 13 57.83 0.15 . 1 . . . . 107 TYR CA . 6621 1 1274 . 1 1 107 107 TYR CB C 13 39.76 0.15 . 1 . . . . 107 TYR CB . 6621 1 1275 . 1 1 107 107 TYR N N 15 125.93 0.15 . 1 . . . . 107 TYR N . 6621 1 1276 . 1 1 108 108 ALA H H 1 8.91 0.02 . 1 . . . . 108 ALA H . 6621 1 1277 . 1 1 108 108 ALA HA H 1 4.33 0.02 . 1 . . . . 108 ALA HA . 6621 1 1278 . 1 1 108 108 ALA HB1 H 1 1.51 0.02 . 1 . . . . 108 ALA HB . 6621 1 1279 . 1 1 108 108 ALA HB2 H 1 1.51 0.02 . 1 . . . . 108 ALA HB . 6621 1 1280 . 1 1 108 108 ALA HB3 H 1 1.51 0.02 . 1 . . . . 108 ALA HB . 6621 1 1281 . 1 1 108 108 ALA CA C 13 50.79 0.15 . 1 . . . . 108 ALA CA . 6621 1 1282 . 1 1 108 108 ALA CB C 13 18.65 0.15 . 1 . . . . 108 ALA CB . 6621 1 1283 . 1 1 108 108 ALA N N 15 124.50 0.15 . 1 . . . . 108 ALA N . 6621 1 1284 . 1 1 109 109 ASP H H 1 8.60 0.02 . 1 . . . . 109 ASP H . 6621 1 1285 . 1 1 109 109 ASP HA H 1 4.52 0.02 . 1 . . . . 109 ASP HA . 6621 1 1286 . 1 1 109 109 ASP HB2 H 1 2.71 0.02 . 2 . . . . 109 ASP HB2 . 6621 1 1287 . 1 1 109 109 ASP HB3 H 1 2.65 0.02 . 2 . . . . 109 ASP HB3 . 6621 1 1288 . 1 1 109 109 ASP CA C 13 55.83 0.15 . 1 . . . . 109 ASP CA . 6621 1 1289 . 1 1 109 109 ASP CB C 13 40.16 0.15 . 1 . . . . 109 ASP CB . 6621 1 1290 . 1 1 109 109 ASP N N 15 121.58 0.15 . 1 . . . . 109 ASP N . 6621 1 1291 . 1 1 110 110 GLU H H 1 7.65 0.02 . 1 . . . . 110 GLU H . 6621 1 1292 . 1 1 110 110 GLU HA H 1 4.54 0.02 . 1 . . . . 110 GLU HA . 6621 1 1293 . 1 1 110 110 GLU CA C 13 55.70 0.15 . 1 . . . . 110 GLU CA . 6621 1 1294 . 1 1 110 110 GLU N N 15 118.69 0.15 . 1 . . . . 110 GLU N . 6621 1 1295 . 1 1 111 111 THR H H 1 8.22 0.02 . 1 . . . . 111 THR H . 6621 1 1296 . 1 1 111 111 THR HA H 1 4.42 0.02 . 1 . . . . 111 THR HA . 6621 1 1297 . 1 1 111 111 THR HB H 1 3.96 0.02 . 1 . . . . 111 THR HB . 6621 1 1298 . 1 1 111 111 THR HG21 H 1 0.76 0.02 . 1 . . . . 111 THR HG2 . 6621 1 1299 . 1 1 111 111 THR HG22 H 1 0.76 0.02 . 1 . . . . 111 THR HG2 . 6621 1 1300 . 1 1 111 111 THR HG23 H 1 0.76 0.02 . 1 . . . . 111 THR HG2 . 6621 1 1301 . 1 1 111 111 THR CA C 13 60.48 0.15 . 1 . . . . 111 THR CA . 6621 1 1302 . 1 1 111 111 THR CB C 13 70.57 0.15 . 1 . . . . 111 THR CB . 6621 1 1303 . 1 1 111 111 THR CG2 C 13 20.77 0.15 . 1 . . . . 111 THR CG2 . 6621 1 1304 . 1 1 111 111 THR N N 15 117.75 0.15 . 1 . . . . 111 THR N . 6621 1 1305 . 1 1 112 112 ALA H H 1 8.92 0.02 . 1 . . . . 112 ALA H . 6621 1 1306 . 1 1 112 112 ALA HA H 1 5.05 0.02 . 1 . . . . 112 ALA HA . 6621 1 1307 . 1 1 112 112 ALA HB1 H 1 1.54 0.02 . 1 . . . . 112 ALA HB . 6621 1 1308 . 1 1 112 112 ALA HB2 H 1 1.54 0.02 . 1 . . . . 112 ALA HB . 6621 1 1309 . 1 1 112 112 ALA HB3 H 1 1.54 0.02 . 1 . . . . 112 ALA HB . 6621 1 1310 . 1 1 112 112 ALA CA C 13 50.12 0.15 . 1 . . . . 112 ALA CA . 6621 1 1311 . 1 1 112 112 ALA CB C 13 22.90 0.15 . 1 . . . . 112 ALA CB . 6621 1 1312 . 1 1 112 112 ALA N N 15 124.50 0.15 . 1 . . . . 112 ALA N . 6621 1 1313 . 1 1 113 113 THR H H 1 8.43 0.02 . 1 . . . . 113 THR H . 6621 1 1314 . 1 1 113 113 THR HA H 1 4.90 0.02 . 1 . . . . 113 THR HA . 6621 1 1315 . 1 1 113 113 THR HB H 1 4.82 0.02 . 1 . . . . 113 THR HB . 6621 1 1316 . 1 1 113 113 THR HG21 H 1 1.48 0.02 . 1 . . . . 113 THR HG2 . 6621 1 1317 . 1 1 113 113 THR HG22 H 1 1.48 0.02 . 1 . . . . 113 THR HG2 . 6621 1 1318 . 1 1 113 113 THR HG23 H 1 1.48 0.02 . 1 . . . . 113 THR HG2 . 6621 1 1319 . 1 1 113 113 THR CA C 13 60.61 0.15 . 1 . . . . 113 THR CA . 6621 1 1320 . 1 1 113 113 THR CB C 13 72.17 0.15 . 1 . . . . 113 THR CB . 6621 1 1321 . 1 1 113 113 THR CG2 C 13 20.77 0.15 . 1 . . . . 113 THR CG2 . 6621 1 1322 . 1 1 113 113 THR N N 15 110.66 0.15 . 1 . . . . 113 THR N . 6621 1 1323 . 1 1 114 114 ILE H H 1 10.08 0.02 . 1 . . . . 114 ILE H . 6621 1 1324 . 1 1 114 114 ILE HA H 1 3.37 0.02 . 1 . . . . 114 ILE HA . 6621 1 1325 . 1 1 114 114 ILE HB H 1 2.02 0.02 . 1 . . . . 114 ILE HB . 6621 1 1326 . 1 1 114 114 ILE HG12 H 1 1.94 0.02 . 2 . . . . 114 ILE HG12 . 6621 1 1327 . 1 1 114 114 ILE HG13 H 1 0.98 0.02 . 2 . . . . 114 ILE HG13 . 6621 1 1328 . 1 1 114 114 ILE HG21 H 1 0.94 0.02 . 1 . . . . 114 ILE HG2 . 6621 1 1329 . 1 1 114 114 ILE HG22 H 1 0.94 0.02 . 1 . . . . 114 ILE HG2 . 6621 1 1330 . 1 1 114 114 ILE HG23 H 1 0.94 0.02 . 1 . . . . 114 ILE HG2 . 6621 1 1331 . 1 1 114 114 ILE HD11 H 1 0.66 0.02 . 1 . . . . 114 ILE HD1 . 6621 1 1332 . 1 1 114 114 ILE HD12 H 1 0.66 0.02 . 1 . . . . 114 ILE HD1 . 6621 1 1333 . 1 1 114 114 ILE HD13 H 1 0.66 0.02 . 1 . . . . 114 ILE HD1 . 6621 1 1334 . 1 1 114 114 ILE CA C 13 62.61 0.15 . 1 . . . . 114 ILE CA . 6621 1 1335 . 1 1 114 114 ILE CB C 13 36.84 0.15 . 1 . . . . 114 ILE CB . 6621 1 1336 . 1 1 114 114 ILE CG1 C 13 28.61 0.15 . 1 . . . . 114 ILE CG1 . 6621 1 1337 . 1 1 114 114 ILE CG2 C 13 15.99 0.15 . 1 . . . . 114 ILE CG2 . 6621 1 1338 . 1 1 114 114 ILE CD1 C 13 13.07 0.15 . 1 . . . . 114 ILE CD1 . 6621 1 1339 . 1 1 114 114 ILE N N 15 119.56 0.15 . 1 . . . . 114 ILE N . 6621 1 1340 . 1 1 115 115 VAL H H 1 6.88 0.02 . 1 . . . . 115 VAL H . 6621 1 1341 . 1 1 115 115 VAL HA H 1 3.46 0.02 . 1 . . . . 115 VAL HA . 6621 1 1342 . 1 1 115 115 VAL HB H 1 1.87 0.02 . 1 . . . . 115 VAL HB . 6621 1 1343 . 1 1 115 115 VAL HG11 H 1 0.94 0.02 . 2 . . . . 115 VAL HG1 . 6621 1 1344 . 1 1 115 115 VAL HG12 H 1 0.94 0.02 . 2 . . . . 115 VAL HG1 . 6621 1 1345 . 1 1 115 115 VAL HG13 H 1 0.94 0.02 . 2 . . . . 115 VAL HG1 . 6621 1 1346 . 1 1 115 115 VAL HG21 H 1 0.89 0.02 . 2 . . . . 115 VAL HG2 . 6621 1 1347 . 1 1 115 115 VAL HG22 H 1 0.89 0.02 . 2 . . . . 115 VAL HG2 . 6621 1 1348 . 1 1 115 115 VAL HG23 H 1 0.89 0.02 . 2 . . . . 115 VAL HG2 . 6621 1 1349 . 1 1 115 115 VAL CA C 13 66.32 0.15 . 1 . . . . 115 VAL CA . 6621 1 1350 . 1 1 115 115 VAL CB C 13 31.40 0.15 . 1 . . . . 115 VAL CB . 6621 1 1351 . 1 1 115 115 VAL CG1 C 13 21.83 0.15 . 2 . . . . 115 VAL CG1 . 6621 1 1352 . 1 1 115 115 VAL CG2 C 13 20.24 0.15 . 2 . . . . 115 VAL CG2 . 6621 1 1353 . 1 1 115 115 VAL N N 15 121.71 0.15 . 1 . . . . 115 VAL N . 6621 1 1354 . 1 1 116 116 GLU H H 1 7.23 0.02 . 1 . . . . 116 GLU H . 6621 1 1355 . 1 1 116 116 GLU HA H 1 4.07 0.02 . 1 . . . . 116 GLU HA . 6621 1 1356 . 1 1 116 116 GLU HB2 H 1 2.33 0.02 . 2 . . . . 116 GLU HB2 . 6621 1 1357 . 1 1 116 116 GLU HB3 H 1 1.99 0.02 . 2 . . . . 116 GLU HB3 . 6621 1 1358 . 1 1 116 116 GLU HG2 H 1 2.33 0.02 . 1 . . . . 116 GLU HG2 . 6621 1 1359 . 1 1 116 116 GLU HG3 H 1 2.33 0.02 . 1 . . . . 116 GLU HG3 . 6621 1 1360 . 1 1 116 116 GLU CA C 13 58.62 0.15 . 1 . . . . 116 GLU CA . 6621 1 1361 . 1 1 116 116 GLU CB C 13 29.67 0.15 . 1 . . . . 116 GLU CB . 6621 1 1362 . 1 1 116 116 GLU CG C 13 35.91 0.15 . 1 . . . . 116 GLU CG . 6621 1 1363 . 1 1 116 116 GLU N N 15 121.85 0.15 . 1 . . . . 116 GLU N . 6621 1 1364 . 1 1 117 117 PHE H H 1 8.80 0.02 . 1 . . . . 117 PHE H . 6621 1 1365 . 1 1 117 117 PHE HA H 1 4.17 0.02 . 1 . . . . 117 PHE HA . 6621 1 1366 . 1 1 117 117 PHE HB2 H 1 2.83 0.02 . 1 . . . . 117 PHE HB2 . 6621 1 1367 . 1 1 117 117 PHE HB3 H 1 2.83 0.02 . 1 . . . . 117 PHE HB3 . 6621 1 1368 . 1 1 117 117 PHE CA C 13 60.75 0.15 . 1 . . . . 117 PHE CA . 6621 1 1369 . 1 1 117 117 PHE CB C 13 39.23 0.15 . 1 . . . . 117 PHE CB . 6621 1 1370 . 1 1 117 117 PHE N N 15 122.17 0.15 . 1 . . . . 117 PHE N . 6621 1 1371 . 1 1 118 118 LEU H H 1 8.30 0.02 . 1 . . . . 118 LEU H . 6621 1 1372 . 1 1 118 118 LEU HA H 1 3.85 0.02 . 1 . . . . 118 LEU HA . 6621 1 1373 . 1 1 118 118 LEU HB2 H 1 2.05 0.02 . 2 . . . . 118 LEU HB2 . 6621 1 1374 . 1 1 118 118 LEU HB3 H 1 1.60 0.02 . 2 . . . . 118 LEU HB3 . 6621 1 1375 . 1 1 118 118 LEU HG H 1 1.62 0.02 . 1 . . . . 118 LEU HG . 6621 1 1376 . 1 1 118 118 LEU HD11 H 1 0.94 0.02 . 2 . . . . 118 LEU HD1 . 6621 1 1377 . 1 1 118 118 LEU HD12 H 1 0.94 0.02 . 2 . . . . 118 LEU HD1 . 6621 1 1378 . 1 1 118 118 LEU HD13 H 1 0.94 0.02 . 2 . . . . 118 LEU HD1 . 6621 1 1379 . 1 1 118 118 LEU HD21 H 1 0.87 0.02 . 2 . . . . 118 LEU HD2 . 6621 1 1380 . 1 1 118 118 LEU HD22 H 1 0.87 0.02 . 2 . . . . 118 LEU HD2 . 6621 1 1381 . 1 1 118 118 LEU HD23 H 1 0.87 0.02 . 2 . . . . 118 LEU HD2 . 6621 1 1382 . 1 1 118 118 LEU CA C 13 57.83 0.15 . 1 . . . . 118 LEU CA . 6621 1 1383 . 1 1 118 118 LEU CB C 13 41.75 0.15 . 1 . . . . 118 LEU CB . 6621 1 1384 . 1 1 118 118 LEU CG C 13 26.75 0.15 . 1 . . . . 118 LEU CG . 6621 1 1385 . 1 1 118 118 LEU CD1 C 13 23.16 0.15 . 2 . . . . 118 LEU CD1 . 6621 1 1386 . 1 1 118 118 LEU CD2 C 13 25.82 0.15 . 2 . . . . 118 LEU CD2 . 6621 1 1387 . 1 1 118 118 LEU N N 15 120.16 0.15 . 1 . . . . 118 LEU N . 6621 1 1388 . 1 1 119 119 ASN H H 1 8.33 0.02 . 1 . . . . 119 ASN H . 6621 1 1389 . 1 1 119 119 ASN HA H 1 4.38 0.02 . 1 . . . . 119 ASN HA . 6621 1 1390 . 1 1 119 119 ASN HB2 H 1 2.79 0.02 . 1 . . . . 119 ASN HB2 . 6621 1 1391 . 1 1 119 119 ASN HB3 H 1 2.79 0.02 . 1 . . . . 119 ASN HB3 . 6621 1 1392 . 1 1 119 119 ASN HD21 H 1 7.25 0.02 . 2 . . . . 119 ASN HD21 . 6621 1 1393 . 1 1 119 119 ASN HD22 H 1 6.78 0.02 . 2 . . . . 119 ASN HD22 . 6621 1 1394 . 1 1 119 119 ASN CA C 13 56.36 0.15 . 1 . . . . 119 ASN CA . 6621 1 1395 . 1 1 119 119 ASN CB C 13 37.90 0.15 . 1 . . . . 119 ASN CB . 6621 1 1396 . 1 1 119 119 ASN N N 15 117.41 0.15 . 1 . . . . 119 ASN N . 6621 1 1397 . 1 1 119 119 ASN ND2 N 15 112.87 0.15 . 1 . . . . 119 ASN ND2 . 6621 1 1398 . 1 1 120 120 ARG H H 1 8.25 0.02 . 1 . . . . 120 ARG H . 6621 1 1399 . 1 1 120 120 ARG HA H 1 4.01 0.02 . 1 . . . . 120 ARG HA . 6621 1 1400 . 1 1 120 120 ARG HB2 H 1 1.64 0.02 . 1 . . . . 120 ARG HB2 . 6621 1 1401 . 1 1 120 120 ARG HB3 H 1 1.64 0.02 . 1 . . . . 120 ARG HB3 . 6621 1 1402 . 1 1 120 120 ARG HG2 H 1 1.75 0.02 . 2 . . . . 120 ARG HG2 . 6621 1 1403 . 1 1 120 120 ARG HG3 H 1 1.62 0.02 . 2 . . . . 120 ARG HG3 . 6621 1 1404 . 1 1 120 120 ARG HD2 H 1 3.22 0.02 . 1 . . . . 120 ARG HD2 . 6621 1 1405 . 1 1 120 120 ARG HD3 H 1 3.22 0.02 . 1 . . . . 120 ARG HD3 . 6621 1 1406 . 1 1 120 120 ARG CA C 13 57.43 0.15 . 1 . . . . 120 ARG CA . 6621 1 1407 . 1 1 120 120 ARG CB C 13 28.74 0.15 . 1 . . . . 120 ARG CB . 6621 1 1408 . 1 1 120 120 ARG CG C 13 27.01 0.15 . 1 . . . . 120 ARG CG . 6621 1 1409 . 1 1 120 120 ARG CD C 13 43.08 0.15 . 1 . . . . 120 ARG CD . 6621 1 1410 . 1 1 120 120 ARG N N 15 121.78 0.15 . 1 . . . . 120 ARG N . 6621 1 1411 . 1 1 121 121 TRP H H 1 7.62 0.02 . 1 . . . . 121 TRP H . 6621 1 1412 . 1 1 121 121 TRP HA H 1 4.61 0.02 . 1 . . . . 121 TRP HA . 6621 1 1413 . 1 1 121 121 TRP HB2 H 1 3.04 0.02 . 2 . . . . 121 TRP HB2 . 6621 1 1414 . 1 1 121 121 TRP HB3 H 1 2.71 0.02 . 2 . . . . 121 TRP HB3 . 6621 1 1415 . 1 1 121 121 TRP HE1 H 1 9.08 0.02 . 1 . . . . 121 TRP HE1 . 6621 1 1416 . 1 1 121 121 TRP CA C 13 59.95 0.15 . 1 . . . . 121 TRP CA . 6621 1 1417 . 1 1 121 121 TRP CB C 13 29.14 0.02 . 1 . . . . 121 TRP CB . 6621 1 1418 . 1 1 121 121 TRP N N 15 122.06 0.15 . 1 . . . . 121 TRP N . 6621 1 1419 . 1 1 121 121 TRP NE1 N 15 127.60 0.15 . 1 . . . . 121 TRP NE1 . 6621 1 1420 . 1 1 122 122 ILE H H 1 8.86 0.02 . 1 . . . . 122 ILE H . 6621 1 1421 . 1 1 122 122 ILE HA H 1 3.63 0.02 . 1 . . . . 122 ILE HA . 6621 1 1422 . 1 1 122 122 ILE HB H 1 1.91 0.02 . 1 . . . . 122 ILE HB . 6621 1 1423 . 1 1 122 122 ILE HG12 H 1 1.96 0.02 . 2 . . . . 122 ILE HG12 . 6621 1 1424 . 1 1 122 122 ILE HG13 H 1 0.97 0.02 . 2 . . . . 122 ILE HG13 . 6621 1 1425 . 1 1 122 122 ILE HG21 H 1 0.89 0.02 . 1 . . . . 122 ILE HG2 . 6621 1 1426 . 1 1 122 122 ILE HG22 H 1 0.89 0.02 . 1 . . . . 122 ILE HG2 . 6621 1 1427 . 1 1 122 122 ILE HG23 H 1 0.89 0.02 . 1 . . . . 122 ILE HG2 . 6621 1 1428 . 1 1 122 122 ILE HD11 H 1 0.75 0.02 . 1 . . . . 122 ILE HD1 . 6621 1 1429 . 1 1 122 122 ILE HD12 H 1 0.75 0.02 . 1 . . . . 122 ILE HD1 . 6621 1 1430 . 1 1 122 122 ILE HD13 H 1 0.75 0.02 . 1 . . . . 122 ILE HD1 . 6621 1 1431 . 1 1 122 122 ILE CA C 13 66.72 0.15 . 1 . . . . 122 ILE CA . 6621 1 1432 . 1 1 122 122 ILE CB C 13 37.50 0.15 . 1 . . . . 122 ILE CB . 6621 1 1433 . 1 1 122 122 ILE CG1 C 13 28.61 0.15 . 1 . . . . 122 ILE CG1 . 6621 1 1434 . 1 1 122 122 ILE CG2 C 13 15.19 0.15 . 1 . . . . 122 ILE CG2 . 6621 1 1435 . 1 1 122 122 ILE CD1 C 13 13.07 0.15 . 1 . . . . 122 ILE CD1 . 6621 1 1436 . 1 1 122 122 ILE N N 15 126.50 0.15 . 1 . . . . 122 ILE N . 6621 1 1437 . 1 1 123 123 THR H H 1 8.20 0.02 . 1 . . . . 123 THR H . 6621 1 1438 . 1 1 123 123 THR HA H 1 4.00 0.02 . 1 . . . . 123 THR HA . 6621 1 1439 . 1 1 123 123 THR HB H 1 4.22 0.02 . 1 . . . . 123 THR HB . 6621 1 1440 . 1 1 123 123 THR HG21 H 1 1.23 0.02 . 1 . . . . 123 THR HG2 . 6621 1 1441 . 1 1 123 123 THR HG22 H 1 1.23 0.02 . 1 . . . . 123 THR HG2 . 6621 1 1442 . 1 1 123 123 THR HG23 H 1 1.23 0.02 . 1 . . . . 123 THR HG2 . 6621 1 1443 . 1 1 123 123 THR CA C 13 66.46 0.15 . 1 . . . . 123 THR CA . 6621 1 1444 . 1 1 123 123 THR CB C 13 68.58 0.15 . 1 . . . . 123 THR CB . 6621 1 1445 . 1 1 123 123 THR CG2 C 13 21.04 0.15 . 1 . . . . 123 THR CG2 . 6621 1 1446 . 1 1 123 123 THR N N 15 117.75 0.15 . 1 . . . . 123 THR N . 6621 1 1447 . 1 1 124 124 PHE H H 1 8.04 0.02 . 1 . . . . 124 PHE H . 6621 1 1448 . 1 1 124 124 PHE HA H 1 4.33 0.02 . 1 . . . . 124 PHE HA . 6621 1 1449 . 1 1 124 124 PHE HB2 H 1 3.57 0.02 . 1 . . . . 124 PHE HB2 . 6621 1 1450 . 1 1 124 124 PHE HB3 H 1 2.88 0.02 . 1 . . . . 124 PHE HB3 . 6621 1 1451 . 1 1 124 124 PHE CA C 13 60.75 0.15 . 1 . . . . 124 PHE CA . 6621 1 1452 . 1 1 124 124 PHE CB C 13 38.30 0.15 . 1 . . . . 124 PHE CB . 6621 1 1453 . 1 1 124 124 PHE N N 15 123.93 0.15 . 1 . . . . 124 PHE N . 6621 1 1454 . 1 1 125 125 CYS H H 1 8.27 0.02 . 1 . . . . 125 CYS H . 6621 1 1455 . 1 1 125 125 CYS HA H 1 3.81 0.02 . 1 . . . . 125 CYS HA . 6621 1 1456 . 1 1 125 125 CYS HB2 H 1 3.45 0.02 . 2 . . . . 125 CYS HB2 . 6621 1 1457 . 1 1 125 125 CYS HB3 H 1 2.55 0.02 . 2 . . . . 125 CYS HB3 . 6621 1 1458 . 1 1 125 125 CYS CA C 13 64.47 0.15 . 1 . . . . 125 CYS CA . 6621 1 1459 . 1 1 125 125 CYS CB C 13 27.41 0.15 . 1 . . . . 125 CYS CB . 6621 1 1460 . 1 1 125 125 CYS N N 15 118.92 0.15 . 1 . . . . 125 CYS N . 6621 1 1461 . 1 1 126 126 GLN H H 1 8.33 0.02 . 1 . . . . 126 GLN H . 6621 1 1462 . 1 1 126 126 GLN HA H 1 3.90 0.02 . 1 . . . . 126 GLN HA . 6621 1 1463 . 1 1 126 126 GLN HB2 H 1 2.38 0.02 . 2 . . . . 126 GLN HB2 . 6621 1 1464 . 1 1 126 126 GLN HB3 H 1 2.02 0.02 . 2 . . . . 126 GLN HB3 . 6621 1 1465 . 1 1 126 126 GLN HG2 H 1 2.54 0.02 . 2 . . . . 126 GLN HG2 . 6621 1 1466 . 1 1 126 126 GLN HG3 H 1 2.32 0.02 . 2 . . . . 126 GLN HG3 . 6621 1 1467 . 1 1 126 126 GLN HE21 H 1 7.06 0.02 . 2 . . . . 126 GLN HE21 . 6621 1 1468 . 1 1 126 126 GLN HE22 H 1 6.64 0.02 . 2 . . . . 126 GLN HE22 . 6621 1 1469 . 1 1 126 126 GLN CA C 13 58.62 0.15 . 1 . . . . 126 GLN CA . 6621 1 1470 . 1 1 126 126 GLN CB C 13 28.47 0.15 . 1 . . . . 126 GLN CB . 6621 1 1471 . 1 1 126 126 GLN CG C 13 33.79 0.15 . 1 . . . . 126 GLN CG . 6621 1 1472 . 1 1 126 126 GLN N N 15 118.12 0.15 . 1 . . . . 126 GLN N . 6621 1 1473 . 1 1 126 126 GLN NE2 N 15 111.35 0.15 . 1 . . . . 126 GLN NE2 . 6621 1 1474 . 1 1 127 127 SER H H 1 8.44 0.02 . 1 . . . . 127 SER H . 6621 1 1475 . 1 1 127 127 SER HA H 1 3.96 0.02 . 1 . . . . 127 SER HA . 6621 1 1476 . 1 1 127 127 SER HB2 H 1 4.11 0.02 . 1 . . . . 127 SER HB2 . 6621 1 1477 . 1 1 127 127 SER HB3 H 1 4.11 0.02 . 1 . . . . 127 SER HB3 . 6621 1 1478 . 1 1 127 127 SER CA C 13 61.01 0.15 . 1 . . . . 127 SER CA . 6621 1 1479 . 1 1 127 127 SER CB C 13 62.74 0.15 . 1 . . . . 127 SER CB . 6621 1 1480 . 1 1 127 127 SER N N 15 117.15 0.15 . 1 . . . . 127 SER N . 6621 1 1481 . 1 1 128 128 ILE H H 1 7.83 0.02 . 1 . . . . 128 ILE H . 6621 1 1482 . 1 1 128 128 ILE HA H 1 3.78 0.02 . 1 . . . . 128 ILE HA . 6621 1 1483 . 1 1 128 128 ILE HB H 1 1.54 0.02 . 1 . . . . 128 ILE HB . 6621 1 1484 . 1 1 128 128 ILE HG12 H 1 1.82 0.02 . 2 . . . . 128 ILE HG12 . 6621 1 1485 . 1 1 128 128 ILE HG13 H 1 0.82 0.02 . 2 . . . . 128 ILE HG13 . 6621 1 1486 . 1 1 128 128 ILE HG21 H 1 0.68 0.02 . 1 . . . . 128 ILE HG2 . 6621 1 1487 . 1 1 128 128 ILE HG22 H 1 0.68 0.02 . 1 . . . . 128 ILE HG2 . 6621 1 1488 . 1 1 128 128 ILE HG23 H 1 0.68 0.02 . 1 . . . . 128 ILE HG2 . 6621 1 1489 . 1 1 128 128 ILE HD11 H 1 0.25 0.02 . 1 . . . . 128 ILE HD1 . 6621 1 1490 . 1 1 128 128 ILE HD12 H 1 0.25 0.02 . 1 . . . . 128 ILE HD1 . 6621 1 1491 . 1 1 128 128 ILE HD13 H 1 0.25 0.02 . 1 . . . . 128 ILE HD1 . 6621 1 1492 . 1 1 128 128 ILE CA C 13 62.74 0.15 . 1 . . . . 128 ILE CA . 6621 1 1493 . 1 1 128 128 ILE CB C 13 35.91 0.15 . 1 . . . . 128 ILE CB . 6621 1 1494 . 1 1 128 128 ILE CG1 C 13 27.15 0.15 . 1 . . . . 128 ILE CG1 . 6621 1 1495 . 1 1 128 128 ILE CG2 C 13 17.32 0.15 . 1 . . . . 128 ILE CG2 . 6621 1 1496 . 1 1 128 128 ILE CD1 C 13 9.62 0.15 . 1 . . . . 128 ILE CD1 . 6621 1 1497 . 1 1 128 128 ILE N N 15 122.51 0.15 . 1 . . . . 128 ILE N . 6621 1 1498 . 1 1 129 129 ILE H H 1 8.33 0.02 . 1 . . . . 129 ILE H . 6621 1 1499 . 1 1 129 129 ILE HA H 1 3.46 0.02 . 1 . . . . 129 ILE HA . 6621 1 1500 . 1 1 129 129 ILE HB H 1 1.86 0.02 . 1 . . . . 129 ILE HB . 6621 1 1501 . 1 1 129 129 ILE HG12 H 1 1.84 0.02 . 2 . . . . 129 ILE HG12 . 6621 1 1502 . 1 1 129 129 ILE HG13 H 1 0.87 0.02 . 2 . . . . 129 ILE HG13 . 6621 1 1503 . 1 1 129 129 ILE HG21 H 1 0.87 0.02 . 1 . . . . 129 ILE HG2 . 6621 1 1504 . 1 1 129 129 ILE HG22 H 1 0.87 0.02 . 1 . . . . 129 ILE HG2 . 6621 1 1505 . 1 1 129 129 ILE HG23 H 1 0.87 0.02 . 1 . . . . 129 ILE HG2 . 6621 1 1506 . 1 1 129 129 ILE HD11 H 1 0.76 0.02 . 1 . . . . 129 ILE HD1 . 6621 1 1507 . 1 1 129 129 ILE HD12 H 1 0.76 0.02 . 1 . . . . 129 ILE HD1 . 6621 1 1508 . 1 1 129 129 ILE HD13 H 1 0.76 0.02 . 1 . . . . 129 ILE HD1 . 6621 1 1509 . 1 1 129 129 ILE CA C 13 66.06 0.15 . 1 . . . . 129 ILE CA . 6621 1 1510 . 1 1 129 129 ILE CB C 13 37.64 0.15 . 1 . . . . 129 ILE CB . 6621 1 1511 . 1 1 129 129 ILE CG1 C 13 31.40 0.15 . 1 . . . . 129 ILE CG1 . 6621 1 1512 . 1 1 129 129 ILE CG2 C 13 16.52 0.15 . 1 . . . . 129 ILE CG2 . 6621 1 1513 . 1 1 129 129 ILE CD1 C 13 13.07 0.15 . 1 . . . . 129 ILE CD1 . 6621 1 1514 . 1 1 129 129 ILE N N 15 123.21 0.15 . 1 . . . . 129 ILE N . 6621 1 1515 . 1 1 130 130 SER H H 1 7.68 0.02 . 1 . . . . 130 SER H . 6621 1 1516 . 1 1 130 130 SER HA H 1 4.15 0.02 . 1 . . . . 130 SER HA . 6621 1 1517 . 1 1 130 130 SER HB2 H 1 3.98 0.02 . 1 . . . . 130 SER HB2 . 6621 1 1518 . 1 1 130 130 SER HB3 H 1 3.98 0.02 . 1 . . . . 130 SER HB3 . 6621 1 1519 . 1 1 130 130 SER CA C 13 61.28 0.15 . 1 . . . . 130 SER CA . 6621 1 1520 . 1 1 130 130 SER CB C 13 62.74 0.15 . 1 . . . . 130 SER CB . 6621 1 1521 . 1 1 130 130 SER N N 15 114.07 0.15 . 1 . . . . 130 SER N . 6621 1 1522 . 1 1 131 131 THR H H 1 7.60 0.02 . 1 . . . . 131 THR H . 6621 1 1523 . 1 1 131 131 THR HA H 1 4.44 0.02 . 1 . . . . 131 THR HA . 6621 1 1524 . 1 1 131 131 THR HB H 1 4.42 0.02 . 1 . . . . 131 THR HB . 6621 1 1525 . 1 1 131 131 THR HG21 H 1 1.30 0.02 . 1 . . . . 131 THR HG2 . 6621 1 1526 . 1 1 131 131 THR HG22 H 1 1.30 0.02 . 1 . . . . 131 THR HG2 . 6621 1 1527 . 1 1 131 131 THR HG23 H 1 1.30 0.02 . 1 . . . . 131 THR HG2 . 6621 1 1528 . 1 1 131 131 THR CA C 13 61.94 0.15 . 1 . . . . 131 THR CA . 6621 1 1529 . 1 1 131 131 THR CB C 13 69.38 0.15 . 1 . . . . 131 THR CB . 6621 1 1530 . 1 1 131 131 THR CG2 C 13 20.77 0.15 . 1 . . . . 131 THR CG2 . 6621 1 1531 . 1 1 131 131 THR N N 15 112.19 0.15 . 1 . . . . 131 THR N . 6621 1 1532 . 1 1 132 132 LEU H H 1 7.45 0.02 . 1 . . . . 132 LEU H . 6621 1 1533 . 1 1 132 132 LEU HA H 1 4.41 0.02 . 1 . . . . 132 LEU HA . 6621 1 1534 . 1 1 132 132 LEU HB2 H 1 1.78 0.02 . 2 . . . . 132 LEU HB2 . 6621 1 1535 . 1 1 132 132 LEU HB3 H 1 1.57 0.02 . 2 . . . . 132 LEU HB3 . 6621 1 1536 . 1 1 132 132 LEU HG H 1 1.55 0.02 . 1 . . . . 132 LEU HG . 6621 1 1537 . 1 1 132 132 LEU HD11 H 1 0.81 0.02 . 2 . . . . 132 LEU HD1 . 6621 1 1538 . 1 1 132 132 LEU HD12 H 1 0.81 0.02 . 2 . . . . 132 LEU HD1 . 6621 1 1539 . 1 1 132 132 LEU HD13 H 1 0.81 0.02 . 2 . . . . 132 LEU HD1 . 6621 1 1540 . 1 1 132 132 LEU HD21 H 1 0.82 0.02 . 2 . . . . 132 LEU HD2 . 6621 1 1541 . 1 1 132 132 LEU HD22 H 1 0.82 0.02 . 2 . . . . 132 LEU HD2 . 6621 1 1542 . 1 1 132 132 LEU HD23 H 1 0.82 0.02 . 2 . . . . 132 LEU HD2 . 6621 1 1543 . 1 1 132 132 LEU CA C 13 54.90 0.15 . 1 . . . . 132 LEU CA . 6621 1 1544 . 1 1 132 132 LEU CB C 13 41.49 0.15 . 1 . . . . 132 LEU CB . 6621 1 1545 . 1 1 132 132 LEU CG C 13 26.75 0.15 . 1 . . . . 132 LEU CG . 6621 1 1546 . 1 1 132 132 LEU CD1 C 13 25.02 0.15 . 2 . . . . 132 LEU CD1 . 6621 1 1547 . 1 1 132 132 LEU CD2 C 13 21.83 0.15 . 2 . . . . 132 LEU CD2 . 6621 1 1548 . 1 1 132 132 LEU N N 15 124.23 0.15 . 1 . . . . 132 LEU N . 6621 1 1549 . 1 1 133 133 THR H H 1 7.46 0.02 . 1 . . . . 133 THR H . 6621 1 1550 . 1 1 133 133 THR HA H 1 4.11 0.02 . 1 . . . . 133 THR HA . 6621 1 1551 . 1 1 133 133 THR HB H 1 4.23 0.02 . 1 . . . . 133 THR HB . 6621 1 1552 . 1 1 133 133 THR HG21 H 1 1.14 0.02 . 1 . . . . 133 THR HG2 . 6621 1 1553 . 1 1 133 133 THR HG22 H 1 1.14 0.02 . 1 . . . . 133 THR HG2 . 6621 1 1554 . 1 1 133 133 THR HG23 H 1 1.14 0.02 . 1 . . . . 133 THR HG2 . 6621 1 1555 . 1 1 133 133 THR CA C 13 62.74 0.15 . 1 . . . . 133 THR CA . 6621 1 1556 . 1 1 133 133 THR CB C 13 70.57 0.15 . 1 . . . . 133 THR CB . 6621 1 1557 . 1 1 133 133 THR CG2 C 13 20.77 0.15 . 1 . . . . 133 THR CG2 . 6621 1 1558 . 1 1 133 133 THR N N 15 119.55 0.15 . 1 . . . . 133 THR N . 6621 1 stop_ save_