data_34640 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34640 _Entry.Title ; Solution structure of human interleukin-9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-22 _Entry.Accession_date 2021-06-22 _Entry.Last_release_date 2021-07-16 _Entry.Original_release_date 2021-07-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Savvides S. N. . . 34640 2 K. Tripsianes K. . . . 34640 3 T. 'De Vos' T. . . . 34640 4 A. Papageorgiou A. . . . 34640 5 T. Evangelidis T. . . . 34640 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CYTOKINE . 34640 IL-9 . 34640 'four-helical bundle' . 34640 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34640 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 405 34640 '15N chemical shifts' 126 34640 '1H chemical shifts' 848 34640 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 . . 2023-01-02 . original BMRB . 34640 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7OX6 'BMRB Entry Tracking System' 34640 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34640 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of the activation and antagonism of the IL-9 signaling complex. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. 'De Vos' T. . . . 34640 1 2 M. Godar M. . . . 34640 1 3 F. Bick F. . . . 34640 1 4 A. Papageorgiou A. . . . 34640 1 5 T. Evangelidis T. . . . 34640 1 6 I. Markovic I. . . . 34640 1 7 E. Mortier E. . . . 34640 1 8 L. Dumoutier L. . . . 34640 1 9 K. Tripsianes K. . . . 34640 1 10 C. Blanchetot C. . . . 34640 1 11 S. Savvides S. N. . . 34640 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34640 _Assembly.ID 1 _Assembly.Name Interleukin-9 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34640 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_asym_ID_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_asym_ID_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 7 7 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . . . 34640 1 2 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . . . 34640 1 3 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . . . 34640 1 4 disulfide single . 1 . 1 CYS 50 50 SG . 1 . 1 CYS 99 99 SG . . . . . . . . . . . . 34640 1 5 disulfide single . 1 . 1 CYS 54 54 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . . . 34640 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34640 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMQGCPTLAGILDINFLI NKMQEDPASKCHCSANVTSC LCLGIPSDNCTRPCFSERLS QMTNTTMQTRYPLIFSRVKK SVEVLKNNKCPYFSCEQPCN QTTAGNALTFLKSLLEIFQK EKMRGMRGKI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14551.010 _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 'Cytokine P40' common 34640 1 IL-9 common 34640 1 'T-cell growth factor P40' common 34640 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 15 GLY . 34640 1 2 16 SER . 34640 1 3 17 HIS . 34640 1 4 18 MET . 34640 1 5 19 GLN . 34640 1 6 20 GLY . 34640 1 7 21 CYS . 34640 1 8 22 PRO . 34640 1 9 23 THR . 34640 1 10 24 LEU . 34640 1 11 25 ALA . 34640 1 12 26 GLY . 34640 1 13 27 ILE . 34640 1 14 28 LEU . 34640 1 15 29 ASP . 34640 1 16 30 ILE . 34640 1 17 31 ASN . 34640 1 18 32 PHE . 34640 1 19 33 LEU . 34640 1 20 34 ILE . 34640 1 21 35 ASN . 34640 1 22 36 LYS . 34640 1 23 37 MET . 34640 1 24 38 GLN . 34640 1 25 39 GLU . 34640 1 26 40 ASP . 34640 1 27 41 PRO . 34640 1 28 42 ALA . 34640 1 29 43 SER . 34640 1 30 44 LYS . 34640 1 31 45 CYS . 34640 1 32 46 HIS . 34640 1 33 47 CYS . 34640 1 34 48 SER . 34640 1 35 49 ALA . 34640 1 36 50 ASN . 34640 1 37 51 VAL . 34640 1 38 52 THR . 34640 1 39 53 SER . 34640 1 40 54 CYS . 34640 1 41 55 LEU . 34640 1 42 56 CYS . 34640 1 43 57 LEU . 34640 1 44 58 GLY . 34640 1 45 59 ILE . 34640 1 46 60 PRO . 34640 1 47 61 SER . 34640 1 48 62 ASP . 34640 1 49 63 ASN . 34640 1 50 64 CYS . 34640 1 51 65 THR . 34640 1 52 66 ARG . 34640 1 53 67 PRO . 34640 1 54 68 CYS . 34640 1 55 69 PHE . 34640 1 56 70 SER . 34640 1 57 71 GLU . 34640 1 58 72 ARG . 34640 1 59 73 LEU . 34640 1 60 74 SER . 34640 1 61 75 GLN . 34640 1 62 76 MET . 34640 1 63 77 THR . 34640 1 64 78 ASN . 34640 1 65 79 THR . 34640 1 66 80 THR . 34640 1 67 81 MET . 34640 1 68 82 GLN . 34640 1 69 83 THR . 34640 1 70 84 ARG . 34640 1 71 85 TYR . 34640 1 72 86 PRO . 34640 1 73 87 LEU . 34640 1 74 88 ILE . 34640 1 75 89 PHE . 34640 1 76 90 SER . 34640 1 77 91 ARG . 34640 1 78 92 VAL . 34640 1 79 93 LYS . 34640 1 80 94 LYS . 34640 1 81 95 SER . 34640 1 82 96 VAL . 34640 1 83 97 GLU . 34640 1 84 98 VAL . 34640 1 85 99 LEU . 34640 1 86 100 LYS . 34640 1 87 101 ASN . 34640 1 88 102 ASN . 34640 1 89 103 LYS . 34640 1 90 104 CYS . 34640 1 91 105 PRO . 34640 1 92 106 TYR . 34640 1 93 107 PHE . 34640 1 94 108 SER . 34640 1 95 109 CYS . 34640 1 96 110 GLU . 34640 1 97 111 GLN . 34640 1 98 112 PRO . 34640 1 99 113 CYS . 34640 1 100 114 ASN . 34640 1 101 115 GLN . 34640 1 102 116 THR . 34640 1 103 117 THR . 34640 1 104 118 ALA . 34640 1 105 119 GLY . 34640 1 106 120 ASN . 34640 1 107 121 ALA . 34640 1 108 122 LEU . 34640 1 109 123 THR . 34640 1 110 124 PHE . 34640 1 111 125 LEU . 34640 1 112 126 LYS . 34640 1 113 127 SER . 34640 1 114 128 LEU . 34640 1 115 129 LEU . 34640 1 116 130 GLU . 34640 1 117 131 ILE . 34640 1 118 132 PHE . 34640 1 119 133 GLN . 34640 1 120 134 LYS . 34640 1 121 135 GLU . 34640 1 122 136 LYS . 34640 1 123 137 MET . 34640 1 124 138 ARG . 34640 1 125 139 GLY . 34640 1 126 140 MET . 34640 1 127 141 ARG . 34640 1 128 142 GLY . 34640 1 129 143 LYS . 34640 1 130 144 ILE . 34640 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34640 1 . SER 2 2 34640 1 . HIS 3 3 34640 1 . MET 4 4 34640 1 . GLN 5 5 34640 1 . GLY 6 6 34640 1 . CYS 7 7 34640 1 . PRO 8 8 34640 1 . THR 9 9 34640 1 . LEU 10 10 34640 1 . ALA 11 11 34640 1 . GLY 12 12 34640 1 . ILE 13 13 34640 1 . LEU 14 14 34640 1 . ASP 15 15 34640 1 . ILE 16 16 34640 1 . ASN 17 17 34640 1 . PHE 18 18 34640 1 . LEU 19 19 34640 1 . ILE 20 20 34640 1 . ASN 21 21 34640 1 . LYS 22 22 34640 1 . MET 23 23 34640 1 . GLN 24 24 34640 1 . GLU 25 25 34640 1 . ASP 26 26 34640 1 . PRO 27 27 34640 1 . ALA 28 28 34640 1 . SER 29 29 34640 1 . LYS 30 30 34640 1 . CYS 31 31 34640 1 . HIS 32 32 34640 1 . CYS 33 33 34640 1 . SER 34 34 34640 1 . ALA 35 35 34640 1 . ASN 36 36 34640 1 . VAL 37 37 34640 1 . THR 38 38 34640 1 . SER 39 39 34640 1 . CYS 40 40 34640 1 . LEU 41 41 34640 1 . CYS 42 42 34640 1 . LEU 43 43 34640 1 . GLY 44 44 34640 1 . ILE 45 45 34640 1 . PRO 46 46 34640 1 . SER 47 47 34640 1 . ASP 48 48 34640 1 . ASN 49 49 34640 1 . CYS 50 50 34640 1 . THR 51 51 34640 1 . ARG 52 52 34640 1 . PRO 53 53 34640 1 . CYS 54 54 34640 1 . PHE 55 55 34640 1 . SER 56 56 34640 1 . GLU 57 57 34640 1 . ARG 58 58 34640 1 . LEU 59 59 34640 1 . SER 60 60 34640 1 . GLN 61 61 34640 1 . MET 62 62 34640 1 . THR 63 63 34640 1 . ASN 64 64 34640 1 . THR 65 65 34640 1 . THR 66 66 34640 1 . MET 67 67 34640 1 . GLN 68 68 34640 1 . THR 69 69 34640 1 . ARG 70 70 34640 1 . TYR 71 71 34640 1 . PRO 72 72 34640 1 . LEU 73 73 34640 1 . ILE 74 74 34640 1 . PHE 75 75 34640 1 . SER 76 76 34640 1 . ARG 77 77 34640 1 . VAL 78 78 34640 1 . LYS 79 79 34640 1 . LYS 80 80 34640 1 . SER 81 81 34640 1 . VAL 82 82 34640 1 . GLU 83 83 34640 1 . VAL 84 84 34640 1 . LEU 85 85 34640 1 . LYS 86 86 34640 1 . ASN 87 87 34640 1 . ASN 88 88 34640 1 . LYS 89 89 34640 1 . CYS 90 90 34640 1 . PRO 91 91 34640 1 . TYR 92 92 34640 1 . PHE 93 93 34640 1 . SER 94 94 34640 1 . CYS 95 95 34640 1 . GLU 96 96 34640 1 . GLN 97 97 34640 1 . PRO 98 98 34640 1 . CYS 99 99 34640 1 . ASN 100 100 34640 1 . GLN 101 101 34640 1 . THR 102 102 34640 1 . THR 103 103 34640 1 . ALA 104 104 34640 1 . GLY 105 105 34640 1 . ASN 106 106 34640 1 . ALA 107 107 34640 1 . LEU 108 108 34640 1 . THR 109 109 34640 1 . PHE 110 110 34640 1 . LEU 111 111 34640 1 . LYS 112 112 34640 1 . SER 113 113 34640 1 . LEU 114 114 34640 1 . LEU 115 115 34640 1 . GLU 116 116 34640 1 . ILE 117 117 34640 1 . PHE 118 118 34640 1 . GLN 119 119 34640 1 . LYS 120 120 34640 1 . GLU 121 121 34640 1 . LYS 122 122 34640 1 . MET 123 123 34640 1 . ARG 124 124 34640 1 . GLY 125 125 34640 1 . MET 126 126 34640 1 . ARG 127 127 34640 1 . GLY 128 128 34640 1 . LYS 129 129 34640 1 . ILE 130 130 34640 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 34640 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . IL9 . 34640 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 34640 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34640 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34640 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '60 mg/mL [U-13C; U-15N] Interleukin-9, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Interleukin-9 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 60 . . mg/mL . . . . 34640 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34640 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34640 1 pH 6.5 . pH 34640 1 pressure 1 . atm 34640 1 temperature 298 . K 34640 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34640 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34640 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34640 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34640 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34640 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34640 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34640 _Software.ID 3 _Software.Type . _Software.Name 4D-CHAINS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Evangelidis and Tripsianes' . . 34640 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34640 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34640 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34640 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34640 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34640 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34640 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 850 . . . 34640 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34640 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D HC(CC TOCSY(CO))NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34640 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34640 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34640 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34640 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 34640 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34640 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 34640 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34640 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '4D HC(CC TOCSY(CO))NH' . . . 34640 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' . . . 34640 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' . . . 34640 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 MET H H 1 8.296 0.001 . . . . . . A 18 MET H . 34640 1 2 . 1 . 1 4 4 MET HA H 1 4.346 0.020 . . . . . . A 18 MET HA . 34640 1 3 . 1 . 1 4 4 MET HB2 H 1 1.988 0.020 . . . . . . A 18 MET HB2 . 34640 1 4 . 1 . 1 4 4 MET HB3 H 1 1.892 0.020 . . . . . . A 18 MET HB3 . 34640 1 5 . 1 . 1 4 4 MET HG2 H 1 2.452 0.020 . . . . . . A 18 MET HG2 . 34640 1 6 . 1 . 1 4 4 MET HG3 H 1 2.411 0.020 . . . . . . A 18 MET HG3 . 34640 1 7 . 1 . 1 4 4 MET HE1 H 1 2.018 0.020 . . . . . . A 18 MET HE1 . 34640 1 8 . 1 . 1 4 4 MET HE2 H 1 2.018 0.020 . . . . . . A 18 MET HE2 . 34640 1 9 . 1 . 1 4 4 MET HE3 H 1 2.018 0.020 . . . . . . A 18 MET HE3 . 34640 1 10 . 1 . 1 4 4 MET CA C 13 55.689 0.050 . . . . . . A 18 MET CA . 34640 1 11 . 1 . 1 4 4 MET CB C 13 32.617 0.052 . . . . . . A 18 MET CB . 34640 1 12 . 1 . 1 4 4 MET CG C 13 31.936 0.026 . . . . . . A 18 MET CG . 34640 1 13 . 1 . 1 4 4 MET CE C 13 16.945 0.200 . . . . . . A 18 MET CE . 34640 1 14 . 1 . 1 4 4 MET N N 15 121.328 0.012 . . . . . . A 18 MET N . 34640 1 15 . 1 . 1 5 5 GLN H H 1 8.259 0.003 . . . . . . A 19 GLN H . 34640 1 16 . 1 . 1 5 5 GLN HA H 1 4.268 0.001 . . . . . . A 19 GLN HA . 34640 1 17 . 1 . 1 5 5 GLN HB2 H 1 2.038 0.020 . . . . . . A 19 GLN HB2 . 34640 1 18 . 1 . 1 5 5 GLN HB3 H 1 1.890 0.001 . . . . . . A 19 GLN HB3 . 34640 1 19 . 1 . 1 5 5 GLN HG2 H 1 2.277 0.020 . . . . . . A 19 GLN HG2 . 34640 1 20 . 1 . 1 5 5 GLN HG3 H 1 2.277 0.020 . . . . . . A 19 GLN HG3 . 34640 1 21 . 1 . 1 5 5 GLN HE21 H 1 7.426 0.002 . . . . . . A 19 GLN HE21 . 34640 1 22 . 1 . 1 5 5 GLN HE22 H 1 6.759 0.020 . . . . . . A 19 GLN HE22 . 34640 1 23 . 1 . 1 5 5 GLN CA C 13 55.885 0.200 . . . . . . A 19 GLN CA . 34640 1 24 . 1 . 1 5 5 GLN CB C 13 29.834 0.030 . . . . . . A 19 GLN CB . 34640 1 25 . 1 . 1 5 5 GLN CG C 13 34.019 0.012 . . . . . . A 19 GLN CG . 34640 1 26 . 1 . 1 5 5 GLN N N 15 121.059 0.013 . . . . . . A 19 GLN N . 34640 1 27 . 1 . 1 5 5 GLN NE2 N 15 112.241 0.014 . . . . . . A 19 GLN NE2 . 34640 1 28 . 1 . 1 6 6 GLY H H 1 8.287 0.020 . . . . . . A 20 GLY H . 34640 1 29 . 1 . 1 6 6 GLY HA2 H 1 3.852 0.020 . . . . . . A 20 GLY HA2 . 34640 1 30 . 1 . 1 6 6 GLY HA3 H 1 3.852 0.020 . . . . . . A 20 GLY HA3 . 34640 1 31 . 1 . 1 6 6 GLY CA C 13 45.176 0.007 . . . . . . A 20 GLY CA . 34640 1 32 . 1 . 1 6 6 GLY N N 15 109.257 0.009 . . . . . . A 20 GLY N . 34640 1 33 . 1 . 1 7 7 CYS H H 1 8.213 0.005 . . . . . . A 21 CYS H . 34640 1 34 . 1 . 1 7 7 CYS HA H 1 4.916 0.020 . . . . . . A 21 CYS HA . 34640 1 35 . 1 . 1 7 7 CYS HB2 H 1 2.777 0.020 . . . . . . A 21 CYS HB2 . 34640 1 36 . 1 . 1 7 7 CYS HB3 H 1 2.777 0.020 . . . . . . A 21 CYS HB3 . 34640 1 37 . 1 . 1 7 7 CYS CA C 13 52.577 0.200 . . . . . . A 21 CYS CA . 34640 1 38 . 1 . 1 7 7 CYS CB C 13 42.694 0.255 . . . . . . A 21 CYS CB . 34640 1 39 . 1 . 1 7 7 CYS N N 15 116.775 0.023 . . . . . . A 21 CYS N . 34640 1 40 . 1 . 1 8 8 PRO HA H 1 4.510 0.020 . . . . . . A 22 PRO HA . 34640 1 41 . 1 . 1 8 8 PRO HB2 H 1 2.184 0.020 . . . . . . A 22 PRO HB2 . 34640 1 42 . 1 . 1 8 8 PRO HB3 H 1 1.986 0.020 . . . . . . A 22 PRO HB3 . 34640 1 43 . 1 . 1 8 8 PRO HG2 H 1 2.065 0.020 . . . . . . A 22 PRO HG2 . 34640 1 44 . 1 . 1 8 8 PRO HG3 H 1 1.846 0.020 . . . . . . A 22 PRO HG3 . 34640 1 45 . 1 . 1 8 8 PRO HD2 H 1 3.425 0.020 . . . . . . A 22 PRO HD2 . 34640 1 46 . 1 . 1 8 8 PRO HD3 H 1 3.222 0.020 . . . . . . A 22 PRO HD3 . 34640 1 47 . 1 . 1 8 8 PRO CA C 13 63.364 0.019 . . . . . . A 22 PRO CA . 34640 1 48 . 1 . 1 8 8 PRO CB C 13 31.543 0.035 . . . . . . A 22 PRO CB . 34640 1 49 . 1 . 1 8 8 PRO CG C 13 27.252 0.040 . . . . . . A 22 PRO CG . 34640 1 50 . 1 . 1 8 8 PRO CD C 13 49.934 0.065 . . . . . . A 22 PRO CD . 34640 1 51 . 1 . 1 9 9 THR H H 1 8.418 0.007 . . . . . . A 23 THR H . 34640 1 52 . 1 . 1 9 9 THR HA H 1 4.505 0.005 . . . . . . A 23 THR HA . 34640 1 53 . 1 . 1 9 9 THR HB H 1 4.337 0.016 . . . . . . A 23 THR HB . 34640 1 54 . 1 . 1 9 9 THR HG21 H 1 1.127 0.002 . . . . . . A 23 THR HG21 . 34640 1 55 . 1 . 1 9 9 THR HG22 H 1 1.127 0.002 . . . . . . A 23 THR HG22 . 34640 1 56 . 1 . 1 9 9 THR HG23 H 1 1.127 0.002 . . . . . . A 23 THR HG23 . 34640 1 57 . 1 . 1 9 9 THR CA C 13 62.090 0.053 . . . . . . A 23 THR CA . 34640 1 58 . 1 . 1 9 9 THR CB C 13 72.344 0.075 . . . . . . A 23 THR CB . 34640 1 59 . 1 . 1 9 9 THR CG2 C 13 21.675 0.025 . . . . . . A 23 THR CG2 . 34640 1 60 . 1 . 1 9 9 THR N N 15 114.427 0.024 . . . . . . A 23 THR N . 34640 1 61 . 1 . 1 10 10 LEU H H 1 7.782 0.001 . . . . . . A 24 LEU H . 34640 1 62 . 1 . 1 10 10 LEU HA H 1 3.893 0.020 . . . . . . A 24 LEU HA . 34640 1 63 . 1 . 1 10 10 LEU HB2 H 1 1.670 0.020 . . . . . . A 24 LEU HB2 . 34640 1 64 . 1 . 1 10 10 LEU HB3 H 1 1.593 0.001 . . . . . . A 24 LEU HB3 . 34640 1 65 . 1 . 1 10 10 LEU HG H 1 1.578 0.020 . . . . . . A 24 LEU HG . 34640 1 66 . 1 . 1 10 10 LEU HD11 H 1 0.816 0.020 . . . . . . A 24 LEU HD11 . 34640 1 67 . 1 . 1 10 10 LEU HD12 H 1 0.816 0.020 . . . . . . A 24 LEU HD12 . 34640 1 68 . 1 . 1 10 10 LEU HD13 H 1 0.816 0.020 . . . . . . A 24 LEU HD13 . 34640 1 69 . 1 . 1 10 10 LEU HD21 H 1 0.850 0.020 . . . . . . A 24 LEU HD21 . 34640 1 70 . 1 . 1 10 10 LEU HD22 H 1 0.850 0.020 . . . . . . A 24 LEU HD22 . 34640 1 71 . 1 . 1 10 10 LEU HD23 H 1 0.850 0.020 . . . . . . A 24 LEU HD23 . 34640 1 72 . 1 . 1 10 10 LEU CA C 13 59.436 0.068 . . . . . . A 24 LEU CA . 34640 1 73 . 1 . 1 10 10 LEU CB C 13 41.785 0.035 . . . . . . A 24 LEU CB . 34640 1 74 . 1 . 1 10 10 LEU CG C 13 26.899 0.006 . . . . . . A 24 LEU CG . 34640 1 75 . 1 . 1 10 10 LEU CD1 C 13 24.646 0.064 . . . . . . A 24 LEU CD1 . 34640 1 76 . 1 . 1 10 10 LEU CD2 C 13 23.963 0.034 . . . . . . A 24 LEU CD2 . 34640 1 77 . 1 . 1 10 10 LEU N N 15 124.130 0.007 . . . . . . A 24 LEU N . 34640 1 78 . 1 . 1 11 11 ALA H H 1 8.451 0.001 . . . . . . A 25 ALA H . 34640 1 79 . 1 . 1 11 11 ALA HA H 1 3.852 0.003 . . . . . . A 25 ALA HA . 34640 1 80 . 1 . 1 11 11 ALA HB1 H 1 1.246 0.020 . . . . . . A 25 ALA HB1 . 34640 1 81 . 1 . 1 11 11 ALA HB2 H 1 1.246 0.020 . . . . . . A 25 ALA HB2 . 34640 1 82 . 1 . 1 11 11 ALA HB3 H 1 1.246 0.020 . . . . . . A 25 ALA HB3 . 34640 1 83 . 1 . 1 11 11 ALA CA C 13 55.197 0.006 . . . . . . A 25 ALA CA . 34640 1 84 . 1 . 1 11 11 ALA CB C 13 17.757 0.013 . . . . . . A 25 ALA CB . 34640 1 85 . 1 . 1 11 11 ALA N N 15 119.921 0.004 . . . . . . A 25 ALA N . 34640 1 86 . 1 . 1 12 12 GLY H H 1 8.205 0.020 . . . . . . A 26 GLY H . 34640 1 87 . 1 . 1 12 12 GLY HA2 H 1 3.595 0.006 . . . . . . A 26 GLY HA2 . 34640 1 88 . 1 . 1 12 12 GLY HA3 H 1 3.165 0.006 . . . . . . A 26 GLY HA3 . 34640 1 89 . 1 . 1 12 12 GLY CA C 13 46.702 0.066 . . . . . . A 26 GLY CA . 34640 1 90 . 1 . 1 12 12 GLY N N 15 106.007 0.011 . . . . . . A 26 GLY N . 34640 1 91 . 1 . 1 13 13 ILE H H 1 7.856 0.003 . . . . . . A 27 ILE H . 34640 1 92 . 1 . 1 13 13 ILE HA H 1 3.010 0.006 . . . . . . A 27 ILE HA . 34640 1 93 . 1 . 1 13 13 ILE HB H 1 1.819 0.006 . . . . . . A 27 ILE HB . 34640 1 94 . 1 . 1 13 13 ILE HG12 H 1 1.847 0.020 . . . . . . A 27 ILE HG12 . 34640 1 95 . 1 . 1 13 13 ILE HG13 H 1 0.663 0.020 . . . . . . A 27 ILE HG13 . 34640 1 96 . 1 . 1 13 13 ILE HG21 H 1 0.715 0.020 . . . . . . A 27 ILE HG21 . 34640 1 97 . 1 . 1 13 13 ILE HG22 H 1 0.715 0.020 . . . . . . A 27 ILE HG22 . 34640 1 98 . 1 . 1 13 13 ILE HG23 H 1 0.715 0.020 . . . . . . A 27 ILE HG23 . 34640 1 99 . 1 . 1 13 13 ILE HD11 H 1 0.762 0.004 . . . . . . A 27 ILE HD11 . 34640 1 100 . 1 . 1 13 13 ILE HD12 H 1 0.762 0.004 . . . . . . A 27 ILE HD12 . 34640 1 101 . 1 . 1 13 13 ILE HD13 H 1 0.762 0.004 . . . . . . A 27 ILE HD13 . 34640 1 102 . 1 . 1 13 13 ILE CA C 13 66.419 0.009 . . . . . . A 27 ILE CA . 34640 1 103 . 1 . 1 13 13 ILE CB C 13 38.139 0.054 . . . . . . A 27 ILE CB . 34640 1 104 . 1 . 1 13 13 ILE CG1 C 13 31.622 0.038 . . . . . . A 27 ILE CG1 . 34640 1 105 . 1 . 1 13 13 ILE CG2 C 13 16.605 0.005 . . . . . . A 27 ILE CG2 . 34640 1 106 . 1 . 1 13 13 ILE CD1 C 13 13.883 0.022 . . . . . . A 27 ILE CD1 . 34640 1 107 . 1 . 1 13 13 ILE N N 15 121.582 0.017 . . . . . . A 27 ILE N . 34640 1 108 . 1 . 1 14 14 LEU H H 1 7.924 0.001 . . . . . . A 28 LEU H . 34640 1 109 . 1 . 1 14 14 LEU HA H 1 3.919 0.020 . . . . . . A 28 LEU HA . 34640 1 110 . 1 . 1 14 14 LEU HB2 H 1 1.784 0.001 . . . . . . A 28 LEU HB2 . 34640 1 111 . 1 . 1 14 14 LEU HB3 H 1 1.377 0.001 . . . . . . A 28 LEU HB3 . 34640 1 112 . 1 . 1 14 14 LEU HG H 1 1.720 0.001 . . . . . . A 28 LEU HG . 34640 1 113 . 1 . 1 14 14 LEU HD11 H 1 0.757 0.020 . . . . . . A 28 LEU HD11 . 34640 1 114 . 1 . 1 14 14 LEU HD12 H 1 0.757 0.020 . . . . . . A 28 LEU HD12 . 34640 1 115 . 1 . 1 14 14 LEU HD13 H 1 0.757 0.020 . . . . . . A 28 LEU HD13 . 34640 1 116 . 1 . 1 14 14 LEU HD21 H 1 0.762 0.020 . . . . . . A 28 LEU HD21 . 34640 1 117 . 1 . 1 14 14 LEU HD22 H 1 0.762 0.020 . . . . . . A 28 LEU HD22 . 34640 1 118 . 1 . 1 14 14 LEU HD23 H 1 0.762 0.020 . . . . . . A 28 LEU HD23 . 34640 1 119 . 1 . 1 14 14 LEU CA C 13 58.531 0.038 . . . . . . A 28 LEU CA . 34640 1 120 . 1 . 1 14 14 LEU CB C 13 41.489 0.012 . . . . . . A 28 LEU CB . 34640 1 121 . 1 . 1 14 14 LEU CG C 13 26.584 0.023 . . . . . . A 28 LEU CG . 34640 1 122 . 1 . 1 14 14 LEU CD1 C 13 22.835 0.013 . . . . . . A 28 LEU CD1 . 34640 1 123 . 1 . 1 14 14 LEU CD2 C 13 25.322 0.012 . . . . . . A 28 LEU CD2 . 34640 1 124 . 1 . 1 14 14 LEU N N 15 119.614 0.009 . . . . . . A 28 LEU N . 34640 1 125 . 1 . 1 15 15 ASP H H 1 7.898 0.002 . . . . . . A 29 ASP H . 34640 1 126 . 1 . 1 15 15 ASP HA H 1 4.348 0.020 . . . . . . A 29 ASP HA . 34640 1 127 . 1 . 1 15 15 ASP HB2 H 1 2.480 0.020 . . . . . . A 29 ASP HB2 . 34640 1 128 . 1 . 1 15 15 ASP HB3 H 1 2.147 0.020 . . . . . . A 29 ASP HB3 . 34640 1 129 . 1 . 1 15 15 ASP CA C 13 57.561 0.016 . . . . . . A 29 ASP CA . 34640 1 130 . 1 . 1 15 15 ASP CB C 13 41.082 0.091 . . . . . . A 29 ASP CB . 34640 1 131 . 1 . 1 15 15 ASP N N 15 120.968 0.011 . . . . . . A 29 ASP N . 34640 1 132 . 1 . 1 16 16 ILE H H 1 8.683 0.004 . . . . . . A 30 ILE H . 34640 1 133 . 1 . 1 16 16 ILE HA H 1 3.385 0.020 . . . . . . A 30 ILE HA . 34640 1 134 . 1 . 1 16 16 ILE HB H 1 1.444 0.020 . . . . . . A 30 ILE HB . 34640 1 135 . 1 . 1 16 16 ILE HG12 H 1 1.611 0.020 . . . . . . A 30 ILE HG12 . 34640 1 136 . 1 . 1 16 16 ILE HG13 H 1 0.355 0.020 . . . . . . A 30 ILE HG13 . 34640 1 137 . 1 . 1 16 16 ILE HG21 H 1 0.771 0.020 . . . . . . A 30 ILE HG21 . 34640 1 138 . 1 . 1 16 16 ILE HG22 H 1 0.771 0.020 . . . . . . A 30 ILE HG22 . 34640 1 139 . 1 . 1 16 16 ILE HG23 H 1 0.771 0.020 . . . . . . A 30 ILE HG23 . 34640 1 140 . 1 . 1 16 16 ILE HD11 H 1 -0.022 0.020 . . . . . . A 30 ILE HD11 . 34640 1 141 . 1 . 1 16 16 ILE HD12 H 1 -0.022 0.020 . . . . . . A 30 ILE HD12 . 34640 1 142 . 1 . 1 16 16 ILE HD13 H 1 -0.022 0.020 . . . . . . A 30 ILE HD13 . 34640 1 143 . 1 . 1 16 16 ILE CA C 13 66.403 0.060 . . . . . . A 30 ILE CA . 34640 1 144 . 1 . 1 16 16 ILE CB C 13 37.239 0.031 . . . . . . A 30 ILE CB . 34640 1 145 . 1 . 1 16 16 ILE CG1 C 13 31.169 0.146 . . . . . . A 30 ILE CG1 . 34640 1 146 . 1 . 1 16 16 ILE CG2 C 13 19.777 0.017 . . . . . . A 30 ILE CG2 . 34640 1 147 . 1 . 1 16 16 ILE CD1 C 13 14.723 0.009 . . . . . . A 30 ILE CD1 . 34640 1 148 . 1 . 1 16 16 ILE N N 15 120.624 0.023 . . . . . . A 30 ILE N . 34640 1 149 . 1 . 1 17 17 ASN H H 1 8.431 0.003 . . . . . . A 31 ASN H . 34640 1 150 . 1 . 1 17 17 ASN HA H 1 4.251 0.001 . . . . . . A 31 ASN HA . 34640 1 151 . 1 . 1 17 17 ASN HB2 H 1 2.849 0.004 . . . . . . A 31 ASN HB2 . 34640 1 152 . 1 . 1 17 17 ASN HB3 H 1 2.491 0.020 . . . . . . A 31 ASN HB3 . 34640 1 153 . 1 . 1 17 17 ASN HD21 H 1 7.087 0.001 . . . . . . A 31 ASN HD21 . 34640 1 154 . 1 . 1 17 17 ASN HD22 H 1 6.701 0.020 . . . . . . A 31 ASN HD22 . 34640 1 155 . 1 . 1 17 17 ASN CA C 13 56.844 0.014 . . . . . . A 31 ASN CA . 34640 1 156 . 1 . 1 17 17 ASN CB C 13 38.370 0.017 . . . . . . A 31 ASN CB . 34640 1 157 . 1 . 1 17 17 ASN N N 15 118.135 0.025 . . . . . . A 31 ASN N . 34640 1 158 . 1 . 1 17 17 ASN ND2 N 15 111.351 0.007 . . . . . . A 31 ASN ND2 . 34640 1 159 . 1 . 1 18 18 PHE H H 1 7.795 0.002 . . . . . . A 32 PHE H . 34640 1 160 . 1 . 1 18 18 PHE HA H 1 4.051 0.002 . . . . . . A 32 PHE HA . 34640 1 161 . 1 . 1 18 18 PHE HB2 H 1 3.362 0.011 . . . . . . A 32 PHE HB2 . 34640 1 162 . 1 . 1 18 18 PHE HB3 H 1 3.095 0.003 . . . . . . A 32 PHE HB3 . 34640 1 163 . 1 . 1 18 18 PHE HD1 H 1 6.909 0.020 . . . . . . A 32 PHE HD1 . 34640 1 164 . 1 . 1 18 18 PHE HD2 H 1 6.909 0.020 . . . . . . A 32 PHE HD2 . 34640 1 165 . 1 . 1 18 18 PHE HE1 H 1 6.735 0.020 . . . . . . A 32 PHE HE1 . 34640 1 166 . 1 . 1 18 18 PHE HE2 H 1 6.735 0.020 . . . . . . A 32 PHE HE2 . 34640 1 167 . 1 . 1 18 18 PHE CA C 13 61.748 0.067 . . . . . . A 32 PHE CA . 34640 1 168 . 1 . 1 18 18 PHE CB C 13 38.495 0.069 . . . . . . A 32 PHE CB . 34640 1 169 . 1 . 1 18 18 PHE CD1 C 13 131.923 0.141 . . . . . . A 32 PHE CD1 . 34640 1 170 . 1 . 1 18 18 PHE CD2 C 13 131.923 0.141 . . . . . . A 32 PHE CD2 . 34640 1 171 . 1 . 1 18 18 PHE CE1 C 13 131.221 0.200 . . . . . . A 32 PHE CE1 . 34640 1 172 . 1 . 1 18 18 PHE CE2 C 13 131.221 0.200 . . . . . . A 32 PHE CE2 . 34640 1 173 . 1 . 1 18 18 PHE N N 15 120.999 0.008 . . . . . . A 32 PHE N . 34640 1 174 . 1 . 1 19 19 LEU H H 1 7.977 0.006 . . . . . . A 33 LEU H . 34640 1 175 . 1 . 1 19 19 LEU HA H 1 3.591 0.020 . . . . . . A 33 LEU HA . 34640 1 176 . 1 . 1 19 19 LEU HB2 H 1 2.081 0.020 . . . . . . A 33 LEU HB2 . 34640 1 177 . 1 . 1 19 19 LEU HB3 H 1 1.238 0.020 . . . . . . A 33 LEU HB3 . 34640 1 178 . 1 . 1 19 19 LEU HG H 1 2.002 0.020 . . . . . . A 33 LEU HG . 34640 1 179 . 1 . 1 19 19 LEU HD11 H 1 0.776 0.020 . . . . . . A 33 LEU HD11 . 34640 1 180 . 1 . 1 19 19 LEU HD12 H 1 0.776 0.020 . . . . . . A 33 LEU HD12 . 34640 1 181 . 1 . 1 19 19 LEU HD13 H 1 0.776 0.020 . . . . . . A 33 LEU HD13 . 34640 1 182 . 1 . 1 19 19 LEU HD21 H 1 0.725 0.020 . . . . . . A 33 LEU HD21 . 34640 1 183 . 1 . 1 19 19 LEU HD22 H 1 0.725 0.020 . . . . . . A 33 LEU HD22 . 34640 1 184 . 1 . 1 19 19 LEU HD23 H 1 0.725 0.020 . . . . . . A 33 LEU HD23 . 34640 1 185 . 1 . 1 19 19 LEU CA C 13 57.944 0.043 . . . . . . A 33 LEU CA . 34640 1 186 . 1 . 1 19 19 LEU CB C 13 42.498 0.129 . . . . . . A 33 LEU CB . 34640 1 187 . 1 . 1 19 19 LEU CG C 13 26.440 0.023 . . . . . . A 33 LEU CG . 34640 1 188 . 1 . 1 19 19 LEU CD1 C 13 23.011 0.073 . . . . . . A 33 LEU CD1 . 34640 1 189 . 1 . 1 19 19 LEU CD2 C 13 25.881 0.093 . . . . . . A 33 LEU CD2 . 34640 1 190 . 1 . 1 19 19 LEU N N 15 118.819 0.022 . . . . . . A 33 LEU N . 34640 1 191 . 1 . 1 20 20 ILE H H 1 8.924 0.005 . . . . . . A 34 ILE H . 34640 1 192 . 1 . 1 20 20 ILE HA H 1 3.271 0.020 . . . . . . A 34 ILE HA . 34640 1 193 . 1 . 1 20 20 ILE HB H 1 1.764 0.020 . . . . . . A 34 ILE HB . 34640 1 194 . 1 . 1 20 20 ILE HG12 H 1 1.796 0.020 . . . . . . A 34 ILE HG12 . 34640 1 195 . 1 . 1 20 20 ILE HG13 H 1 0.690 0.002 . . . . . . A 34 ILE HG13 . 34640 1 196 . 1 . 1 20 20 ILE HG21 H 1 0.753 0.003 . . . . . . A 34 ILE HG21 . 34640 1 197 . 1 . 1 20 20 ILE HG22 H 1 0.753 0.003 . . . . . . A 34 ILE HG22 . 34640 1 198 . 1 . 1 20 20 ILE HG23 H 1 0.753 0.003 . . . . . . A 34 ILE HG23 . 34640 1 199 . 1 . 1 20 20 ILE HD11 H 1 0.690 0.003 . . . . . . A 34 ILE HD11 . 34640 1 200 . 1 . 1 20 20 ILE HD12 H 1 0.690 0.003 . . . . . . A 34 ILE HD12 . 34640 1 201 . 1 . 1 20 20 ILE HD13 H 1 0.690 0.003 . . . . . . A 34 ILE HD13 . 34640 1 202 . 1 . 1 20 20 ILE CA C 13 66.571 0.038 . . . . . . A 34 ILE CA . 34640 1 203 . 1 . 1 20 20 ILE CB C 13 38.273 0.200 . . . . . . A 34 ILE CB . 34640 1 204 . 1 . 1 20 20 ILE CG1 C 13 31.833 0.074 . . . . . . A 34 ILE CG1 . 34640 1 205 . 1 . 1 20 20 ILE CG2 C 13 16.647 0.033 . . . . . . A 34 ILE CG2 . 34640 1 206 . 1 . 1 20 20 ILE CD1 C 13 15.299 0.007 . . . . . . A 34 ILE CD1 . 34640 1 207 . 1 . 1 20 20 ILE N N 15 120.368 0.056 . . . . . . A 34 ILE N . 34640 1 208 . 1 . 1 21 21 ASN H H 1 7.742 0.001 . . . . . . A 35 ASN H . 34640 1 209 . 1 . 1 21 21 ASN HA H 1 4.219 0.020 . . . . . . A 35 ASN HA . 34640 1 210 . 1 . 1 21 21 ASN HB2 H 1 2.720 0.020 . . . . . . A 35 ASN HB2 . 34640 1 211 . 1 . 1 21 21 ASN HB3 H 1 2.565 0.020 . . . . . . A 35 ASN HB3 . 34640 1 212 . 1 . 1 21 21 ASN HD21 H 1 7.329 0.001 . . . . . . A 35 ASN HD21 . 34640 1 213 . 1 . 1 21 21 ASN HD22 H 1 6.752 0.002 . . . . . . A 35 ASN HD22 . 34640 1 214 . 1 . 1 21 21 ASN CA C 13 56.464 0.014 . . . . . . A 35 ASN CA . 34640 1 215 . 1 . 1 21 21 ASN CB C 13 38.358 0.026 . . . . . . A 35 ASN CB . 34640 1 216 . 1 . 1 21 21 ASN N N 15 116.560 0.009 . . . . . . A 35 ASN N . 34640 1 217 . 1 . 1 21 21 ASN ND2 N 15 112.230 0.008 . . . . . . A 35 ASN ND2 . 34640 1 218 . 1 . 1 22 22 LYS H H 1 7.596 0.006 . . . . . . A 36 LYS H . 34640 1 219 . 1 . 1 22 22 LYS HA H 1 4.007 0.020 . . . . . . A 36 LYS HA . 34640 1 220 . 1 . 1 22 22 LYS HB2 H 1 1.593 0.020 . . . . . . A 36 LYS HB2 . 34640 1 221 . 1 . 1 22 22 LYS HB3 H 1 1.480 0.020 . . . . . . A 36 LYS HB3 . 34640 1 222 . 1 . 1 22 22 LYS HG2 H 1 0.650 0.020 . . . . . . A 36 LYS HG2 . 34640 1 223 . 1 . 1 22 22 LYS HG3 H 1 0.517 0.020 . . . . . . A 36 LYS HG3 . 34640 1 224 . 1 . 1 22 22 LYS HD2 H 1 1.298 0.020 . . . . . . A 36 LYS HD2 . 34640 1 225 . 1 . 1 22 22 LYS HD3 H 1 1.262 0.020 . . . . . . A 36 LYS HD3 . 34640 1 226 . 1 . 1 22 22 LYS HE2 H 1 2.714 0.020 . . . . . . A 36 LYS HE2 . 34640 1 227 . 1 . 1 22 22 LYS HE3 H 1 2.407 0.020 . . . . . . A 36 LYS HE3 . 34640 1 228 . 1 . 1 22 22 LYS CA C 13 56.359 0.200 . . . . . . A 36 LYS CA . 34640 1 229 . 1 . 1 22 22 LYS CB C 13 31.703 0.021 . . . . . . A 36 LYS CB . 34640 1 230 . 1 . 1 22 22 LYS CG C 13 22.811 0.016 . . . . . . A 36 LYS CG . 34640 1 231 . 1 . 1 22 22 LYS CD C 13 27.158 0.008 . . . . . . A 36 LYS CD . 34640 1 232 . 1 . 1 22 22 LYS CE C 13 42.468 0.005 . . . . . . A 36 LYS CE . 34640 1 233 . 1 . 1 22 22 LYS N N 15 115.700 0.026 . . . . . . A 36 LYS N . 34640 1 234 . 1 . 1 23 23 MET H H 1 8.827 0.003 . . . . . . A 37 MET H . 34640 1 235 . 1 . 1 23 23 MET HA H 1 4.475 0.020 . . . . . . A 37 MET HA . 34640 1 236 . 1 . 1 23 23 MET HB2 H 1 2.077 0.020 . . . . . . A 37 MET HB2 . 34640 1 237 . 1 . 1 23 23 MET HB3 H 1 2.077 0.020 . . . . . . A 37 MET HB3 . 34640 1 238 . 1 . 1 23 23 MET HG2 H 1 2.723 0.020 . . . . . . A 37 MET HG2 . 34640 1 239 . 1 . 1 23 23 MET HG3 H 1 2.723 0.020 . . . . . . A 37 MET HG3 . 34640 1 240 . 1 . 1 23 23 MET HE1 H 1 1.995 0.003 . . . . . . A 37 MET HE1 . 34640 1 241 . 1 . 1 23 23 MET HE2 H 1 1.995 0.003 . . . . . . A 37 MET HE2 . 34640 1 242 . 1 . 1 23 23 MET HE3 H 1 1.995 0.003 . . . . . . A 37 MET HE3 . 34640 1 243 . 1 . 1 23 23 MET CA C 13 56.945 0.022 . . . . . . A 37 MET CA . 34640 1 244 . 1 . 1 23 23 MET CB C 13 32.897 0.028 . . . . . . A 37 MET CB . 34640 1 245 . 1 . 1 23 23 MET CG C 13 33.933 0.054 . . . . . . A 37 MET CG . 34640 1 246 . 1 . 1 23 23 MET CE C 13 19.239 0.042 . . . . . . A 37 MET CE . 34640 1 247 . 1 . 1 23 23 MET N N 15 119.802 0.024 . . . . . . A 37 MET N . 34640 1 248 . 1 . 1 24 24 GLN H H 1 7.892 0.002 . . . . . . A 38 GLN H . 34640 1 249 . 1 . 1 24 24 GLN HA H 1 3.964 0.020 . . . . . . A 38 GLN HA . 34640 1 250 . 1 . 1 24 24 GLN HB2 H 1 2.139 0.020 . . . . . . A 38 GLN HB2 . 34640 1 251 . 1 . 1 24 24 GLN HB3 H 1 2.056 0.020 . . . . . . A 38 GLN HB3 . 34640 1 252 . 1 . 1 24 24 GLN HG2 H 1 2.526 0.020 . . . . . . A 38 GLN HG2 . 34640 1 253 . 1 . 1 24 24 GLN HG3 H 1 2.400 0.020 . . . . . . A 38 GLN HG3 . 34640 1 254 . 1 . 1 24 24 GLN HE21 H 1 7.267 0.001 . . . . . . A 38 GLN HE21 . 34640 1 255 . 1 . 1 24 24 GLN HE22 H 1 6.713 0.002 . . . . . . A 38 GLN HE22 . 34640 1 256 . 1 . 1 24 24 GLN CA C 13 58.298 0.042 . . . . . . A 38 GLN CA . 34640 1 257 . 1 . 1 24 24 GLN CB C 13 28.193 0.042 . . . . . . A 38 GLN CB . 34640 1 258 . 1 . 1 24 24 GLN CG C 13 33.596 0.021 . . . . . . A 38 GLN CG . 34640 1 259 . 1 . 1 24 24 GLN N N 15 117.269 0.012 . . . . . . A 38 GLN N . 34640 1 260 . 1 . 1 24 24 GLN NE2 N 15 111.042 0.008 . . . . . . A 38 GLN NE2 . 34640 1 261 . 1 . 1 25 25 GLU H H 1 7.250 0.001 . . . . . . A 39 GLU H . 34640 1 262 . 1 . 1 25 25 GLU HA H 1 4.428 0.020 . . . . . . A 39 GLU HA . 34640 1 263 . 1 . 1 25 25 GLU HB2 H 1 2.281 0.003 . . . . . . A 39 GLU HB2 . 34640 1 264 . 1 . 1 25 25 GLU HB3 H 1 1.768 0.001 . . . . . . A 39 GLU HB3 . 34640 1 265 . 1 . 1 25 25 GLU HG2 H 1 2.261 0.020 . . . . . . A 39 GLU HG2 . 34640 1 266 . 1 . 1 25 25 GLU HG3 H 1 2.105 0.020 . . . . . . A 39 GLU HG3 . 34640 1 267 . 1 . 1 25 25 GLU CA C 13 54.791 0.018 . . . . . . A 39 GLU CA . 34640 1 268 . 1 . 1 25 25 GLU CB C 13 29.886 0.014 . . . . . . A 39 GLU CB . 34640 1 269 . 1 . 1 25 25 GLU CG C 13 35.834 0.008 . . . . . . A 39 GLU CG . 34640 1 270 . 1 . 1 25 25 GLU N N 15 114.230 0.006 . . . . . . A 39 GLU N . 34640 1 271 . 1 . 1 26 26 ASP H H 1 7.596 0.001 . . . . . . A 40 ASP H . 34640 1 272 . 1 . 1 26 26 ASP HA H 1 5.102 0.020 . . . . . . A 40 ASP HA . 34640 1 273 . 1 . 1 26 26 ASP HB2 H 1 3.094 0.020 . . . . . . A 40 ASP HB2 . 34640 1 274 . 1 . 1 26 26 ASP HB3 H 1 2.572 0.020 . . . . . . A 40 ASP HB3 . 34640 1 275 . 1 . 1 26 26 ASP CA C 13 51.054 0.200 . . . . . . A 40 ASP CA . 34640 1 276 . 1 . 1 26 26 ASP CB C 13 43.913 0.038 . . . . . . A 40 ASP CB . 34640 1 277 . 1 . 1 26 26 ASP N N 15 121.626 0.012 . . . . . . A 40 ASP N . 34640 1 278 . 1 . 1 27 27 PRO HA H 1 4.016 0.020 . . . . . . A 41 PRO HA . 34640 1 279 . 1 . 1 27 27 PRO HB2 H 1 2.322 0.020 . . . . . . A 41 PRO HB2 . 34640 1 280 . 1 . 1 27 27 PRO HB3 H 1 1.931 0.020 . . . . . . A 41 PRO HB3 . 34640 1 281 . 1 . 1 27 27 PRO HG2 H 1 2.126 0.005 . . . . . . A 41 PRO HG2 . 34640 1 282 . 1 . 1 27 27 PRO HG3 H 1 1.957 0.007 . . . . . . A 41 PRO HG3 . 34640 1 283 . 1 . 1 27 27 PRO HD2 H 1 4.240 0.020 . . . . . . A 41 PRO HD2 . 34640 1 284 . 1 . 1 27 27 PRO HD3 H 1 3.921 0.020 . . . . . . A 41 PRO HD3 . 34640 1 285 . 1 . 1 27 27 PRO CA C 13 65.629 0.200 . . . . . . A 41 PRO CA . 34640 1 286 . 1 . 1 27 27 PRO CB C 13 32.160 0.100 . . . . . . A 41 PRO CB . 34640 1 287 . 1 . 1 27 27 PRO CG C 13 27.575 0.025 . . . . . . A 41 PRO CG . 34640 1 288 . 1 . 1 27 27 PRO CD C 13 51.242 0.021 . . . . . . A 41 PRO CD . 34640 1 289 . 1 . 1 28 28 ALA H H 1 7.701 0.007 . . . . . . A 42 ALA H . 34640 1 290 . 1 . 1 28 28 ALA HA H 1 4.237 0.020 . . . . . . A 42 ALA HA . 34640 1 291 . 1 . 1 28 28 ALA HB1 H 1 1.526 0.020 . . . . . . A 42 ALA HB1 . 34640 1 292 . 1 . 1 28 28 ALA HB2 H 1 1.526 0.020 . . . . . . A 42 ALA HB2 . 34640 1 293 . 1 . 1 28 28 ALA HB3 H 1 1.526 0.020 . . . . . . A 42 ALA HB3 . 34640 1 294 . 1 . 1 28 28 ALA CA C 13 54.026 0.200 . . . . . . A 42 ALA CA . 34640 1 295 . 1 . 1 28 28 ALA CB C 13 18.666 0.020 . . . . . . A 42 ALA CB . 34640 1 296 . 1 . 1 28 28 ALA N N 15 116.509 0.032 . . . . . . A 42 ALA N . 34640 1 297 . 1 . 1 29 29 SER H H 1 7.999 0.001 . . . . . . A 43 SER H . 34640 1 298 . 1 . 1 29 29 SER HA H 1 4.569 0.020 . . . . . . A 43 SER HA . 34640 1 299 . 1 . 1 29 29 SER HB2 H 1 4.361 0.020 . . . . . . A 43 SER HB2 . 34640 1 300 . 1 . 1 29 29 SER HB3 H 1 3.846 0.020 . . . . . . A 43 SER HB3 . 34640 1 301 . 1 . 1 29 29 SER CA C 13 60.935 0.200 . . . . . . A 43 SER CA . 34640 1 302 . 1 . 1 29 29 SER CB C 13 64.294 0.077 . . . . . . A 43 SER CB . 34640 1 303 . 1 . 1 29 29 SER N N 15 114.173 0.021 . . . . . . A 43 SER N . 34640 1 304 . 1 . 1 30 30 LYS H H 1 7.175 0.003 . . . . . . A 44 LYS H . 34640 1 305 . 1 . 1 30 30 LYS HA H 1 4.768 0.001 . . . . . . A 44 LYS HA . 34640 1 306 . 1 . 1 30 30 LYS HB2 H 1 1.734 0.008 . . . . . . A 44 LYS HB2 . 34640 1 307 . 1 . 1 30 30 LYS HB3 H 1 1.619 0.002 . . . . . . A 44 LYS HB3 . 34640 1 308 . 1 . 1 30 30 LYS HG2 H 1 1.382 0.020 . . . . . . A 44 LYS HG2 . 34640 1 309 . 1 . 1 30 30 LYS HG3 H 1 1.252 0.020 . . . . . . A 44 LYS HG3 . 34640 1 310 . 1 . 1 30 30 LYS HD2 H 1 1.520 0.007 . . . . . . A 44 LYS HD2 . 34640 1 311 . 1 . 1 30 30 LYS HD3 H 1 1.520 0.007 . . . . . . A 44 LYS HD3 . 34640 1 312 . 1 . 1 30 30 LYS HE2 H 1 2.797 0.020 . . . . . . A 44 LYS HE2 . 34640 1 313 . 1 . 1 30 30 LYS HE3 H 1 2.634 0.020 . . . . . . A 44 LYS HE3 . 34640 1 314 . 1 . 1 30 30 LYS CA C 13 55.269 0.056 . . . . . . A 44 LYS CA . 34640 1 315 . 1 . 1 30 30 LYS CB C 13 33.260 0.127 . . . . . . A 44 LYS CB . 34640 1 316 . 1 . 1 30 30 LYS CG C 13 23.609 0.186 . . . . . . A 44 LYS CG . 34640 1 317 . 1 . 1 30 30 LYS CD C 13 29.481 0.012 . . . . . . A 44 LYS CD . 34640 1 318 . 1 . 1 30 30 LYS CE C 13 41.875 0.200 . . . . . . A 44 LYS CE . 34640 1 319 . 1 . 1 30 30 LYS N N 15 115.700 0.030 . . . . . . A 44 LYS N . 34640 1 320 . 1 . 1 31 31 CYS H H 1 7.255 0.009 . . . . . . A 45 CYS H . 34640 1 321 . 1 . 1 31 31 CYS HA H 1 4.511 0.003 . . . . . . A 45 CYS HA . 34640 1 322 . 1 . 1 31 31 CYS HB2 H 1 3.450 0.002 . . . . . . A 45 CYS HB2 . 34640 1 323 . 1 . 1 31 31 CYS HB3 H 1 3.075 0.002 . . . . . . A 45 CYS HB3 . 34640 1 324 . 1 . 1 31 31 CYS CA C 13 53.697 0.033 . . . . . . A 45 CYS CA . 34640 1 325 . 1 . 1 31 31 CYS CB C 13 39.200 0.112 . . . . . . A 45 CYS CB . 34640 1 326 . 1 . 1 31 31 CYS N N 15 118.397 0.048 . . . . . . A 45 CYS N . 34640 1 327 . 1 . 1 34 34 SER HA H 1 4.459 0.001 . . . . . . A 48 SER HA . 34640 1 328 . 1 . 1 34 34 SER HB2 H 1 3.908 0.020 . . . . . . A 48 SER HB2 . 34640 1 329 . 1 . 1 34 34 SER HB3 H 1 3.731 0.007 . . . . . . A 48 SER HB3 . 34640 1 330 . 1 . 1 34 34 SER CA C 13 57.543 0.028 . . . . . . A 48 SER CA . 34640 1 331 . 1 . 1 34 34 SER CB C 13 64.511 0.031 . . . . . . A 48 SER CB . 34640 1 332 . 1 . 1 35 35 ALA H H 1 8.346 0.005 . . . . . . A 49 ALA H . 34640 1 333 . 1 . 1 35 35 ALA HA H 1 4.155 0.020 . . . . . . A 49 ALA HA . 34640 1 334 . 1 . 1 35 35 ALA HB1 H 1 1.319 0.001 . . . . . . A 49 ALA HB1 . 34640 1 335 . 1 . 1 35 35 ALA HB2 H 1 1.319 0.001 . . . . . . A 49 ALA HB2 . 34640 1 336 . 1 . 1 35 35 ALA HB3 H 1 1.319 0.001 . . . . . . A 49 ALA HB3 . 34640 1 337 . 1 . 1 35 35 ALA CA C 13 53.495 0.200 . . . . . . A 49 ALA CA . 34640 1 338 . 1 . 1 35 35 ALA CB C 13 18.787 0.035 . . . . . . A 49 ALA CB . 34640 1 339 . 1 . 1 35 35 ALA N N 15 123.786 0.008 . . . . . . A 49 ALA N . 34640 1 340 . 1 . 1 36 36 ASN H H 1 8.207 0.011 . . . . . . A 50 ASN H . 34640 1 341 . 1 . 1 36 36 ASN HA H 1 4.623 0.001 . . . . . . A 50 ASN HA . 34640 1 342 . 1 . 1 36 36 ASN HB2 H 1 2.814 0.009 . . . . . . A 50 ASN HB2 . 34640 1 343 . 1 . 1 36 36 ASN HB3 H 1 2.674 0.010 . . . . . . A 50 ASN HB3 . 34640 1 344 . 1 . 1 36 36 ASN HD21 H 1 7.527 0.002 . . . . . . A 50 ASN HD21 . 34640 1 345 . 1 . 1 36 36 ASN HD22 H 1 6.863 0.001 . . . . . . A 50 ASN HD22 . 34640 1 346 . 1 . 1 36 36 ASN CA C 13 53.072 0.202 . . . . . . A 50 ASN CA . 34640 1 347 . 1 . 1 36 36 ASN CB C 13 38.567 0.085 . . . . . . A 50 ASN CB . 34640 1 348 . 1 . 1 36 36 ASN N N 15 114.837 0.106 . . . . . . A 50 ASN N . 34640 1 349 . 1 . 1 36 36 ASN ND2 N 15 113.065 0.013 . . . . . . A 50 ASN ND2 . 34640 1 350 . 1 . 1 37 37 VAL H H 1 7.849 0.001 . . . . . . A 51 VAL H . 34640 1 351 . 1 . 1 37 37 VAL HA H 1 4.127 0.020 . . . . . . A 51 VAL HA . 34640 1 352 . 1 . 1 37 37 VAL HB H 1 2.109 0.020 . . . . . . A 51 VAL HB . 34640 1 353 . 1 . 1 37 37 VAL HG11 H 1 0.957 0.020 . . . . . . A 51 VAL HG11 . 34640 1 354 . 1 . 1 37 37 VAL HG12 H 1 0.957 0.020 . . . . . . A 51 VAL HG12 . 34640 1 355 . 1 . 1 37 37 VAL HG13 H 1 0.957 0.020 . . . . . . A 51 VAL HG13 . 34640 1 356 . 1 . 1 37 37 VAL HG21 H 1 0.929 0.020 . . . . . . A 51 VAL HG21 . 34640 1 357 . 1 . 1 37 37 VAL HG22 H 1 0.929 0.020 . . . . . . A 51 VAL HG22 . 34640 1 358 . 1 . 1 37 37 VAL HG23 H 1 0.929 0.020 . . . . . . A 51 VAL HG23 . 34640 1 359 . 1 . 1 37 37 VAL CA C 13 62.988 0.022 . . . . . . A 51 VAL CA . 34640 1 360 . 1 . 1 37 37 VAL CB C 13 32.385 0.200 . . . . . . A 51 VAL CB . 34640 1 361 . 1 . 1 37 37 VAL CG1 C 13 21.496 0.012 . . . . . . A 51 VAL CG1 . 34640 1 362 . 1 . 1 37 37 VAL CG2 C 13 20.895 0.024 . . . . . . A 51 VAL CG2 . 34640 1 363 . 1 . 1 37 37 VAL N N 15 120.424 0.024 . . . . . . A 51 VAL N . 34640 1 364 . 1 . 1 38 38 THR HA H 1 4.420 0.001 . . . . . . A 52 THR HA . 34640 1 365 . 1 . 1 38 38 THR HB H 1 4.336 0.004 . . . . . . A 52 THR HB . 34640 1 366 . 1 . 1 38 38 THR HG21 H 1 1.153 0.001 . . . . . . A 52 THR HG21 . 34640 1 367 . 1 . 1 38 38 THR HG22 H 1 1.153 0.001 . . . . . . A 52 THR HG22 . 34640 1 368 . 1 . 1 38 38 THR HG23 H 1 1.153 0.001 . . . . . . A 52 THR HG23 . 34640 1 369 . 1 . 1 38 38 THR CA C 13 61.847 0.024 . . . . . . A 52 THR CA . 34640 1 370 . 1 . 1 38 38 THR CB C 13 69.913 0.021 . . . . . . A 52 THR CB . 34640 1 371 . 1 . 1 38 38 THR CG2 C 13 21.633 0.094 . . . . . . A 52 THR CG2 . 34640 1 372 . 1 . 1 39 39 SER H H 1 7.948 0.020 . . . . . . A 53 SER H . 34640 1 373 . 1 . 1 39 39 SER N N 15 115.059 0.200 . . . . . . A 53 SER N . 34640 1 374 . 1 . 1 40 40 CYS HA H 1 4.701 0.020 . . . . . . A 54 CYS HA . 34640 1 375 . 1 . 1 40 40 CYS CA C 13 54.566 0.200 . . . . . . A 54 CYS CA . 34640 1 376 . 1 . 1 41 41 LEU H H 1 8.895 0.003 . . . . . . A 55 LEU H . 34640 1 377 . 1 . 1 41 41 LEU HA H 1 4.281 0.020 . . . . . . A 55 LEU HA . 34640 1 378 . 1 . 1 41 41 LEU HB2 H 1 1.755 0.020 . . . . . . A 55 LEU HB2 . 34640 1 379 . 1 . 1 41 41 LEU HB3 H 1 1.517 0.020 . . . . . . A 55 LEU HB3 . 34640 1 380 . 1 . 1 41 41 LEU HG H 1 1.445 0.020 . . . . . . A 55 LEU HG . 34640 1 381 . 1 . 1 41 41 LEU HD11 H 1 0.818 0.020 . . . . . . A 55 LEU HD11 . 34640 1 382 . 1 . 1 41 41 LEU HD12 H 1 0.818 0.020 . . . . . . A 55 LEU HD12 . 34640 1 383 . 1 . 1 41 41 LEU HD13 H 1 0.818 0.020 . . . . . . A 55 LEU HD13 . 34640 1 384 . 1 . 1 41 41 LEU HD21 H 1 0.845 0.020 . . . . . . A 55 LEU HD21 . 34640 1 385 . 1 . 1 41 41 LEU HD22 H 1 0.845 0.020 . . . . . . A 55 LEU HD22 . 34640 1 386 . 1 . 1 41 41 LEU HD23 H 1 0.845 0.020 . . . . . . A 55 LEU HD23 . 34640 1 387 . 1 . 1 41 41 LEU CA C 13 55.602 0.034 . . . . . . A 55 LEU CA . 34640 1 388 . 1 . 1 41 41 LEU CB C 13 40.926 0.076 . . . . . . A 55 LEU CB . 34640 1 389 . 1 . 1 41 41 LEU CG C 13 27.599 0.020 . . . . . . A 55 LEU CG . 34640 1 390 . 1 . 1 41 41 LEU CD1 C 13 25.152 0.021 . . . . . . A 55 LEU CD1 . 34640 1 391 . 1 . 1 41 41 LEU CD2 C 13 24.384 0.020 . . . . . . A 55 LEU CD2 . 34640 1 392 . 1 . 1 41 41 LEU N N 15 130.189 0.130 . . . . . . A 55 LEU N . 34640 1 393 . 1 . 1 42 42 CYS H H 1 8.200 0.009 . . . . . . A 56 CYS H . 34640 1 394 . 1 . 1 42 42 CYS HA H 1 4.937 0.020 . . . . . . A 56 CYS HA . 34640 1 395 . 1 . 1 42 42 CYS HB2 H 1 3.105 0.020 . . . . . . A 56 CYS HB2 . 34640 1 396 . 1 . 1 42 42 CYS HB3 H 1 2.544 0.020 . . . . . . A 56 CYS HB3 . 34640 1 397 . 1 . 1 42 42 CYS CA C 13 55.198 0.104 . . . . . . A 56 CYS CA . 34640 1 398 . 1 . 1 42 42 CYS CB C 13 46.264 0.130 . . . . . . A 56 CYS CB . 34640 1 399 . 1 . 1 42 42 CYS N N 15 125.340 0.082 . . . . . . A 56 CYS N . 34640 1 400 . 1 . 1 43 43 LEU H H 1 9.470 0.005 . . . . . . A 57 LEU H . 34640 1 401 . 1 . 1 43 43 LEU HA H 1 4.524 0.020 . . . . . . A 57 LEU HA . 34640 1 402 . 1 . 1 43 43 LEU HB2 H 1 1.433 0.020 . . . . . . A 57 LEU HB2 . 34640 1 403 . 1 . 1 43 43 LEU HB3 H 1 1.307 0.020 . . . . . . A 57 LEU HB3 . 34640 1 404 . 1 . 1 43 43 LEU HG H 1 1.375 0.020 . . . . . . A 57 LEU HG . 34640 1 405 . 1 . 1 43 43 LEU HD11 H 1 0.465 0.020 . . . . . . A 57 LEU HD11 . 34640 1 406 . 1 . 1 43 43 LEU HD12 H 1 0.465 0.020 . . . . . . A 57 LEU HD12 . 34640 1 407 . 1 . 1 43 43 LEU HD13 H 1 0.465 0.020 . . . . . . A 57 LEU HD13 . 34640 1 408 . 1 . 1 43 43 LEU HD21 H 1 0.606 0.020 . . . . . . A 57 LEU HD21 . 34640 1 409 . 1 . 1 43 43 LEU HD22 H 1 0.606 0.020 . . . . . . A 57 LEU HD22 . 34640 1 410 . 1 . 1 43 43 LEU HD23 H 1 0.606 0.020 . . . . . . A 57 LEU HD23 . 34640 1 411 . 1 . 1 43 43 LEU CA C 13 53.399 0.125 . . . . . . A 57 LEU CA . 34640 1 412 . 1 . 1 43 43 LEU CB C 13 45.084 0.150 . . . . . . A 57 LEU CB . 34640 1 413 . 1 . 1 43 43 LEU CG C 13 27.446 0.033 . . . . . . A 57 LEU CG . 34640 1 414 . 1 . 1 43 43 LEU CD1 C 13 25.158 0.023 . . . . . . A 57 LEU CD1 . 34640 1 415 . 1 . 1 43 43 LEU CD2 C 13 24.203 0.015 . . . . . . A 57 LEU CD2 . 34640 1 416 . 1 . 1 43 43 LEU N N 15 124.327 0.068 . . . . . . A 57 LEU N . 34640 1 417 . 1 . 1 44 44 GLY H H 1 8.524 0.010 . . . . . . A 58 GLY H . 34640 1 418 . 1 . 1 44 44 GLY HA2 H 1 4.037 0.020 . . . . . . A 58 GLY HA2 . 34640 1 419 . 1 . 1 44 44 GLY HA3 H 1 3.274 0.020 . . . . . . A 58 GLY HA3 . 34640 1 420 . 1 . 1 44 44 GLY CA C 13 46.229 0.113 . . . . . . A 58 GLY CA . 34640 1 421 . 1 . 1 44 44 GLY N N 15 107.282 0.025 . . . . . . A 58 GLY N . 34640 1 422 . 1 . 1 45 45 ILE H H 1 8.971 0.011 . . . . . . A 59 ILE H . 34640 1 423 . 1 . 1 45 45 ILE HB H 1 2.000 0.020 . . . . . . A 59 ILE HB . 34640 1 424 . 1 . 1 45 45 ILE HG21 H 1 0.940 0.009 . . . . . . A 59 ILE HG21 . 34640 1 425 . 1 . 1 45 45 ILE HG22 H 1 0.940 0.009 . . . . . . A 59 ILE HG22 . 34640 1 426 . 1 . 1 45 45 ILE HG23 H 1 0.940 0.009 . . . . . . A 59 ILE HG23 . 34640 1 427 . 1 . 1 45 45 ILE HD11 H 1 0.780 0.003 . . . . . . A 59 ILE HD11 . 34640 1 428 . 1 . 1 45 45 ILE HD12 H 1 0.780 0.003 . . . . . . A 59 ILE HD12 . 34640 1 429 . 1 . 1 45 45 ILE HD13 H 1 0.780 0.003 . . . . . . A 59 ILE HD13 . 34640 1 430 . 1 . 1 45 45 ILE CB C 13 38.737 0.200 . . . . . . A 59 ILE CB . 34640 1 431 . 1 . 1 45 45 ILE CG2 C 13 17.034 0.035 . . . . . . A 59 ILE CG2 . 34640 1 432 . 1 . 1 45 45 ILE CD1 C 13 12.900 0.115 . . . . . . A 59 ILE CD1 . 34640 1 433 . 1 . 1 45 45 ILE N N 15 127.771 0.084 . . . . . . A 59 ILE N . 34640 1 434 . 1 . 1 46 46 PRO HA H 1 4.246 0.020 . . . . . . A 60 PRO HA . 34640 1 435 . 1 . 1 46 46 PRO HB2 H 1 2.086 0.020 . . . . . . A 60 PRO HB2 . 34640 1 436 . 1 . 1 46 46 PRO HB3 H 1 1.667 0.020 . . . . . . A 60 PRO HB3 . 34640 1 437 . 1 . 1 46 46 PRO HG2 H 1 1.279 0.020 . . . . . . A 60 PRO HG2 . 34640 1 438 . 1 . 1 46 46 PRO HG3 H 1 1.126 0.006 . . . . . . A 60 PRO HG3 . 34640 1 439 . 1 . 1 46 46 PRO HD3 H 1 3.322 0.007 . . . . . . A 60 PRO HD3 . 34640 1 440 . 1 . 1 46 46 PRO CA C 13 63.199 0.008 . . . . . . A 60 PRO CA . 34640 1 441 . 1 . 1 46 46 PRO CB C 13 32.194 0.048 . . . . . . A 60 PRO CB . 34640 1 442 . 1 . 1 46 46 PRO CG C 13 27.568 0.079 . . . . . . A 60 PRO CG . 34640 1 443 . 1 . 1 46 46 PRO CD C 13 50.123 0.069 . . . . . . A 60 PRO CD . 34640 1 444 . 1 . 1 47 47 SER H H 1 7.845 0.010 . . . . . . A 61 SER H . 34640 1 445 . 1 . 1 47 47 SER HA H 1 4.174 0.020 . . . . . . A 61 SER HA . 34640 1 446 . 1 . 1 47 47 SER HB2 H 1 3.682 0.020 . . . . . . A 61 SER HB2 . 34640 1 447 . 1 . 1 47 47 SER HB3 H 1 3.682 0.020 . . . . . . A 61 SER HB3 . 34640 1 448 . 1 . 1 47 47 SER CA C 13 58.151 0.016 . . . . . . A 61 SER CA . 34640 1 449 . 1 . 1 47 47 SER CB C 13 64.017 0.014 . . . . . . A 61 SER CB . 34640 1 450 . 1 . 1 47 47 SER N N 15 118.012 0.029 . . . . . . A 61 SER N . 34640 1 451 . 1 . 1 48 48 ASP H H 1 8.713 0.020 . . . . . . A 62 ASP H . 34640 1 452 . 1 . 1 48 48 ASP HA H 1 4.341 0.001 . . . . . . A 62 ASP HA . 34640 1 453 . 1 . 1 48 48 ASP HB2 H 1 2.597 0.020 . . . . . . A 62 ASP HB2 . 34640 1 454 . 1 . 1 48 48 ASP HB3 H 1 2.597 0.020 . . . . . . A 62 ASP HB3 . 34640 1 455 . 1 . 1 48 48 ASP CA C 13 56.344 0.055 . . . . . . A 62 ASP CA . 34640 1 456 . 1 . 1 48 48 ASP CB C 13 40.098 0.009 . . . . . . A 62 ASP CB . 34640 1 457 . 1 . 1 48 48 ASP N N 15 125.640 0.005 . . . . . . A 62 ASP N . 34640 1 458 . 1 . 1 49 49 ASN H H 1 8.181 0.001 . . . . . . A 63 ASN H . 34640 1 459 . 1 . 1 49 49 ASN HA H 1 4.466 0.020 . . . . . . A 63 ASN HA . 34640 1 460 . 1 . 1 49 49 ASN HB2 H 1 2.692 0.001 . . . . . . A 63 ASN HB2 . 34640 1 461 . 1 . 1 49 49 ASN HB3 H 1 2.561 0.001 . . . . . . A 63 ASN HB3 . 34640 1 462 . 1 . 1 49 49 ASN HD21 H 1 7.446 0.020 . . . . . . A 63 ASN HD21 . 34640 1 463 . 1 . 1 49 49 ASN HD22 H 1 6.813 0.001 . . . . . . A 63 ASN HD22 . 34640 1 464 . 1 . 1 49 49 ASN CA C 13 53.547 0.007 . . . . . . A 63 ASN CA . 34640 1 465 . 1 . 1 49 49 ASN CB C 13 38.310 0.008 . . . . . . A 63 ASN CB . 34640 1 466 . 1 . 1 49 49 ASN N N 15 114.509 0.005 . . . . . . A 63 ASN N . 34640 1 467 . 1 . 1 49 49 ASN ND2 N 15 112.825 0.011 . . . . . . A 63 ASN ND2 . 34640 1 468 . 1 . 1 50 50 CYS H H 1 7.665 0.005 . . . . . . A 64 CYS H . 34640 1 469 . 1 . 1 50 50 CYS HA H 1 4.484 0.020 . . . . . . A 64 CYS HA . 34640 1 470 . 1 . 1 50 50 CYS HB2 H 1 3.143 0.020 . . . . . . A 64 CYS HB2 . 34640 1 471 . 1 . 1 50 50 CYS HB3 H 1 3.021 0.020 . . . . . . A 64 CYS HB3 . 34640 1 472 . 1 . 1 50 50 CYS CA C 13 54.570 0.010 . . . . . . A 64 CYS CA . 34640 1 473 . 1 . 1 50 50 CYS CB C 13 38.970 0.180 . . . . . . A 64 CYS CB . 34640 1 474 . 1 . 1 50 50 CYS N N 15 118.584 0.048 . . . . . . A 64 CYS N . 34640 1 475 . 1 . 1 51 51 THR HA H 1 4.078 0.020 . . . . . . A 65 THR HA . 34640 1 476 . 1 . 1 51 51 THR HB H 1 4.117 0.020 . . . . . . A 65 THR HB . 34640 1 477 . 1 . 1 51 51 THR HG21 H 1 1.186 0.020 . . . . . . A 65 THR HG21 . 34640 1 478 . 1 . 1 51 51 THR HG22 H 1 1.186 0.020 . . . . . . A 65 THR HG22 . 34640 1 479 . 1 . 1 51 51 THR HG23 H 1 1.186 0.020 . . . . . . A 65 THR HG23 . 34640 1 480 . 1 . 1 51 51 THR CA C 13 63.853 0.022 . . . . . . A 65 THR CA . 34640 1 481 . 1 . 1 51 51 THR CB C 13 68.862 0.040 . . . . . . A 65 THR CB . 34640 1 482 . 1 . 1 51 51 THR CG2 C 13 22.490 0.011 . . . . . . A 65 THR CG2 . 34640 1 483 . 1 . 1 52 52 ARG H H 1 8.135 0.006 . . . . . . A 66 ARG H . 34640 1 484 . 1 . 1 52 52 ARG N N 15 119.738 0.015 . . . . . . A 66 ARG N . 34640 1 485 . 1 . 1 53 53 PRO HA H 1 4.126 0.005 . . . . . . A 67 PRO HA . 34640 1 486 . 1 . 1 53 53 PRO HB2 H 1 1.986 0.020 . . . . . . A 67 PRO HB2 . 34640 1 487 . 1 . 1 53 53 PRO HB3 H 1 1.442 0.020 . . . . . . A 67 PRO HB3 . 34640 1 488 . 1 . 1 53 53 PRO CA C 13 63.576 0.030 . . . . . . A 67 PRO CA . 34640 1 489 . 1 . 1 53 53 PRO CB C 13 32.844 0.200 . . . . . . A 67 PRO CB . 34640 1 490 . 1 . 1 54 54 CYS H H 1 9.133 0.020 . . . . . . A 68 CYS H . 34640 1 491 . 1 . 1 54 54 CYS HB2 H 1 3.386 0.010 . . . . . . A 68 CYS HB2 . 34640 1 492 . 1 . 1 54 54 CYS HB3 H 1 2.828 0.010 . . . . . . A 68 CYS HB3 . 34640 1 493 . 1 . 1 54 54 CYS CB C 13 39.934 0.103 . . . . . . A 68 CYS CB . 34640 1 494 . 1 . 1 54 54 CYS N N 15 120.926 0.027 . . . . . . A 68 CYS N . 34640 1 495 . 1 . 1 55 55 PHE H H 1 8.857 0.002 . . . . . . A 69 PHE H . 34640 1 496 . 1 . 1 55 55 PHE HA H 1 4.071 0.020 . . . . . . A 69 PHE HA . 34640 1 497 . 1 . 1 55 55 PHE CA C 13 63.066 0.200 . . . . . . A 69 PHE CA . 34640 1 498 . 1 . 1 55 55 PHE N N 15 121.843 0.007 . . . . . . A 69 PHE N . 34640 1 499 . 1 . 1 56 56 SER HA H 1 4.121 0.020 . . . . . . A 70 SER HA . 34640 1 500 . 1 . 1 56 56 SER HB2 H 1 3.934 0.020 . . . . . . A 70 SER HB2 . 34640 1 501 . 1 . 1 56 56 SER HB3 H 1 3.780 0.020 . . . . . . A 70 SER HB3 . 34640 1 502 . 1 . 1 56 56 SER CA C 13 62.594 0.200 . . . . . . A 70 SER CA . 34640 1 503 . 1 . 1 56 56 SER CB C 13 62.315 0.012 . . . . . . A 70 SER CB . 34640 1 504 . 1 . 1 57 57 GLU H H 1 7.122 0.004 . . . . . . A 71 GLU H . 34640 1 505 . 1 . 1 57 57 GLU HA H 1 4.198 0.005 . . . . . . A 71 GLU HA . 34640 1 506 . 1 . 1 57 57 GLU HB2 H 1 2.050 0.001 . . . . . . A 71 GLU HB2 . 34640 1 507 . 1 . 1 57 57 GLU HB3 H 1 2.050 0.001 . . . . . . A 71 GLU HB3 . 34640 1 508 . 1 . 1 57 57 GLU HG2 H 1 2.240 0.003 . . . . . . A 71 GLU HG2 . 34640 1 509 . 1 . 1 57 57 GLU HG3 H 1 2.240 0.003 . . . . . . A 71 GLU HG3 . 34640 1 510 . 1 . 1 57 57 GLU CA C 13 58.694 0.033 . . . . . . A 71 GLU CA . 34640 1 511 . 1 . 1 57 57 GLU CB C 13 29.590 0.002 . . . . . . A 71 GLU CB . 34640 1 512 . 1 . 1 57 57 GLU CG C 13 36.290 0.007 . . . . . . A 71 GLU CG . 34640 1 513 . 1 . 1 57 57 GLU N N 15 119.703 0.039 . . . . . . A 71 GLU N . 34640 1 514 . 1 . 1 58 58 ARG H H 1 7.336 0.004 . . . . . . A 72 ARG H . 34640 1 515 . 1 . 1 58 58 ARG HA H 1 4.220 0.020 . . . . . . A 72 ARG HA . 34640 1 516 . 1 . 1 58 58 ARG CA C 13 57.806 0.200 . . . . . . A 72 ARG CA . 34640 1 517 . 1 . 1 58 58 ARG N N 15 116.912 0.018 . . . . . . A 72 ARG N . 34640 1 518 . 1 . 1 59 59 LEU H H 1 8.460 0.004 . . . . . . A 73 LEU H . 34640 1 519 . 1 . 1 59 59 LEU HA H 1 4.287 0.020 . . . . . . A 73 LEU HA . 34640 1 520 . 1 . 1 59 59 LEU HB2 H 1 2.133 0.020 . . . . . . A 73 LEU HB2 . 34640 1 521 . 1 . 1 59 59 LEU HB3 H 1 1.489 0.020 . . . . . . A 73 LEU HB3 . 34640 1 522 . 1 . 1 59 59 LEU HG H 1 2.092 0.020 . . . . . . A 73 LEU HG . 34640 1 523 . 1 . 1 59 59 LEU HD11 H 1 0.990 0.020 . . . . . . A 73 LEU HD11 . 34640 1 524 . 1 . 1 59 59 LEU HD12 H 1 0.990 0.020 . . . . . . A 73 LEU HD12 . 34640 1 525 . 1 . 1 59 59 LEU HD13 H 1 0.990 0.020 . . . . . . A 73 LEU HD13 . 34640 1 526 . 1 . 1 59 59 LEU HD21 H 1 1.062 0.020 . . . . . . A 73 LEU HD21 . 34640 1 527 . 1 . 1 59 59 LEU HD22 H 1 1.062 0.020 . . . . . . A 73 LEU HD22 . 34640 1 528 . 1 . 1 59 59 LEU HD23 H 1 1.062 0.020 . . . . . . A 73 LEU HD23 . 34640 1 529 . 1 . 1 59 59 LEU CA C 13 58.053 0.018 . . . . . . A 73 LEU CA . 34640 1 530 . 1 . 1 59 59 LEU CB C 13 42.578 0.046 . . . . . . A 73 LEU CB . 34640 1 531 . 1 . 1 59 59 LEU CG C 13 28.189 0.025 . . . . . . A 73 LEU CG . 34640 1 532 . 1 . 1 59 59 LEU CD1 C 13 26.546 0.030 . . . . . . A 73 LEU CD1 . 34640 1 533 . 1 . 1 59 59 LEU CD2 C 13 24.585 0.082 . . . . . . A 73 LEU CD2 . 34640 1 534 . 1 . 1 59 59 LEU N N 15 118.108 0.026 . . . . . . A 73 LEU N . 34640 1 535 . 1 . 1 60 60 SER HA H 1 4.228 0.020 . . . . . . A 74 SER HA . 34640 1 536 . 1 . 1 60 60 SER HB2 H 1 3.986 0.020 . . . . . . A 74 SER HB2 . 34640 1 537 . 1 . 1 60 60 SER HB3 H 1 3.986 0.020 . . . . . . A 74 SER HB3 . 34640 1 538 . 1 . 1 60 60 SER CA C 13 61.079 0.200 . . . . . . A 74 SER CA . 34640 1 539 . 1 . 1 60 60 SER CB C 13 63.184 0.200 . . . . . . A 74 SER CB . 34640 1 540 . 1 . 1 61 61 GLN H H 1 7.342 0.001 . . . . . . A 75 GLN H . 34640 1 541 . 1 . 1 61 61 GLN HA H 1 4.284 0.005 . . . . . . A 75 GLN HA . 34640 1 542 . 1 . 1 61 61 GLN HB2 H 1 2.189 0.002 . . . . . . A 75 GLN HB2 . 34640 1 543 . 1 . 1 61 61 GLN HB3 H 1 1.936 0.008 . . . . . . A 75 GLN HB3 . 34640 1 544 . 1 . 1 61 61 GLN HG2 H 1 2.468 0.003 . . . . . . A 75 GLN HG2 . 34640 1 545 . 1 . 1 61 61 GLN HG3 H 1 2.364 0.002 . . . . . . A 75 GLN HG3 . 34640 1 546 . 1 . 1 61 61 GLN HE21 H 1 7.447 0.002 . . . . . . A 75 GLN HE21 . 34640 1 547 . 1 . 1 61 61 GLN HE22 H 1 6.863 0.003 . . . . . . A 75 GLN HE22 . 34640 1 548 . 1 . 1 61 61 GLN CA C 13 56.042 0.078 . . . . . . A 75 GLN CA . 34640 1 549 . 1 . 1 61 61 GLN CB C 13 29.535 0.093 . . . . . . A 75 GLN CB . 34640 1 550 . 1 . 1 61 61 GLN CG C 13 33.924 0.044 . . . . . . A 75 GLN CG . 34640 1 551 . 1 . 1 61 61 GLN N N 15 117.903 0.004 . . . . . . A 75 GLN N . 34640 1 552 . 1 . 1 61 61 GLN NE2 N 15 111.639 0.059 . . . . . . A 75 GLN NE2 . 34640 1 553 . 1 . 1 62 62 MET H H 1 7.247 0.003 . . . . . . A 76 MET H . 34640 1 554 . 1 . 1 62 62 MET HA H 1 4.241 0.020 . . . . . . A 76 MET HA . 34640 1 555 . 1 . 1 62 62 MET HB2 H 1 1.999 0.020 . . . . . . A 76 MET HB2 . 34640 1 556 . 1 . 1 62 62 MET HB3 H 1 1.999 0.020 . . . . . . A 76 MET HB3 . 34640 1 557 . 1 . 1 62 62 MET HG2 H 1 2.375 0.020 . . . . . . A 76 MET HG2 . 34640 1 558 . 1 . 1 62 62 MET HG3 H 1 2.375 0.020 . . . . . . A 76 MET HG3 . 34640 1 559 . 1 . 1 62 62 MET HE1 H 1 1.497 0.020 . . . . . . A 76 MET HE1 . 34640 1 560 . 1 . 1 62 62 MET HE2 H 1 1.497 0.020 . . . . . . A 76 MET HE2 . 34640 1 561 . 1 . 1 62 62 MET HE3 H 1 1.497 0.020 . . . . . . A 76 MET HE3 . 34640 1 562 . 1 . 1 62 62 MET CA C 13 56.357 0.200 . . . . . . A 76 MET CA . 34640 1 563 . 1 . 1 62 62 MET CB C 13 33.504 0.200 . . . . . . A 76 MET CB . 34640 1 564 . 1 . 1 62 62 MET CG C 13 31.493 0.200 . . . . . . A 76 MET CG . 34640 1 565 . 1 . 1 62 62 MET CE C 13 17.234 0.200 . . . . . . A 76 MET CE . 34640 1 566 . 1 . 1 62 62 MET N N 15 118.282 0.010 . . . . . . A 76 MET N . 34640 1 567 . 1 . 1 63 63 THR H H 1 8.126 0.008 . . . . . . A 77 THR H . 34640 1 568 . 1 . 1 63 63 THR HA H 1 4.246 0.004 . . . . . . A 77 THR HA . 34640 1 569 . 1 . 1 63 63 THR HB H 1 3.955 0.020 . . . . . . A 77 THR HB . 34640 1 570 . 1 . 1 63 63 THR HG21 H 1 1.065 0.020 . . . . . . A 77 THR HG21 . 34640 1 571 . 1 . 1 63 63 THR HG22 H 1 1.065 0.020 . . . . . . A 77 THR HG22 . 34640 1 572 . 1 . 1 63 63 THR HG23 H 1 1.065 0.020 . . . . . . A 77 THR HG23 . 34640 1 573 . 1 . 1 63 63 THR CA C 13 61.761 0.056 . . . . . . A 77 THR CA . 34640 1 574 . 1 . 1 63 63 THR CB C 13 71.015 0.017 . . . . . . A 77 THR CB . 34640 1 575 . 1 . 1 63 63 THR CG2 C 13 21.555 0.056 . . . . . . A 77 THR CG2 . 34640 1 576 . 1 . 1 63 63 THR N N 15 117.214 0.033 . . . . . . A 77 THR N . 34640 1 577 . 1 . 1 64 64 ASN H H 1 8.600 0.020 . . . . . . A 78 ASN H . 34640 1 578 . 1 . 1 64 64 ASN HA H 1 4.168 0.003 . . . . . . A 78 ASN HA . 34640 1 579 . 1 . 1 64 64 ASN HB2 H 1 2.909 0.002 . . . . . . A 78 ASN HB2 . 34640 1 580 . 1 . 1 64 64 ASN HB3 H 1 2.678 0.002 . . . . . . A 78 ASN HB3 . 34640 1 581 . 1 . 1 64 64 ASN HD21 H 1 7.442 0.001 . . . . . . A 78 ASN HD21 . 34640 1 582 . 1 . 1 64 64 ASN HD22 H 1 6.741 0.001 . . . . . . A 78 ASN HD22 . 34640 1 583 . 1 . 1 64 64 ASN CA C 13 54.370 0.071 . . . . . . A 78 ASN CA . 34640 1 584 . 1 . 1 64 64 ASN CB C 13 37.523 0.058 . . . . . . A 78 ASN CB . 34640 1 585 . 1 . 1 64 64 ASN N N 15 115.623 0.018 . . . . . . A 78 ASN N . 34640 1 586 . 1 . 1 64 64 ASN ND2 N 15 112.556 0.010 . . . . . . A 78 ASN ND2 . 34640 1 587 . 1 . 1 65 65 THR H H 1 7.478 0.005 . . . . . . A 79 THR H . 34640 1 588 . 1 . 1 65 65 THR HA H 1 4.349 0.020 . . . . . . A 79 THR HA . 34640 1 589 . 1 . 1 65 65 THR HB H 1 4.317 0.020 . . . . . . A 79 THR HB . 34640 1 590 . 1 . 1 65 65 THR HG21 H 1 1.154 0.020 . . . . . . A 79 THR HG21 . 34640 1 591 . 1 . 1 65 65 THR HG22 H 1 1.154 0.020 . . . . . . A 79 THR HG22 . 34640 1 592 . 1 . 1 65 65 THR HG23 H 1 1.154 0.020 . . . . . . A 79 THR HG23 . 34640 1 593 . 1 . 1 65 65 THR CA C 13 61.531 0.200 . . . . . . A 79 THR CA . 34640 1 594 . 1 . 1 65 65 THR CB C 13 71.471 0.200 . . . . . . A 79 THR CB . 34640 1 595 . 1 . 1 65 65 THR CG2 C 13 22.121 0.200 . . . . . . A 79 THR CG2 . 34640 1 596 . 1 . 1 65 65 THR N N 15 109.066 0.019 . . . . . . A 79 THR N . 34640 1 597 . 1 . 1 66 66 THR H H 1 8.770 0.007 . . . . . . A 80 THR H . 34640 1 598 . 1 . 1 66 66 THR HA H 1 3.861 0.020 . . . . . . A 80 THR HA . 34640 1 599 . 1 . 1 66 66 THR HB H 1 4.054 0.020 . . . . . . A 80 THR HB . 34640 1 600 . 1 . 1 66 66 THR HG21 H 1 1.071 0.020 . . . . . . A 80 THR HG21 . 34640 1 601 . 1 . 1 66 66 THR HG22 H 1 1.071 0.020 . . . . . . A 80 THR HG22 . 34640 1 602 . 1 . 1 66 66 THR HG23 H 1 1.071 0.020 . . . . . . A 80 THR HG23 . 34640 1 603 . 1 . 1 66 66 THR CA C 13 65.459 0.061 . . . . . . A 80 THR CA . 34640 1 604 . 1 . 1 66 66 THR CB C 13 68.110 0.032 . . . . . . A 80 THR CB . 34640 1 605 . 1 . 1 66 66 THR CG2 C 13 23.029 0.104 . . . . . . A 80 THR CG2 . 34640 1 606 . 1 . 1 66 66 THR N N 15 118.345 0.036 . . . . . . A 80 THR N . 34640 1 607 . 1 . 1 67 67 MET H H 1 8.239 0.002 . . . . . . A 81 MET H . 34640 1 608 . 1 . 1 67 67 MET HA H 1 4.097 0.020 . . . . . . A 81 MET HA . 34640 1 609 . 1 . 1 67 67 MET HB2 H 1 2.009 0.020 . . . . . . A 81 MET HB2 . 34640 1 610 . 1 . 1 67 67 MET HB3 H 1 2.009 0.020 . . . . . . A 81 MET HB3 . 34640 1 611 . 1 . 1 67 67 MET HG2 H 1 2.594 0.020 . . . . . . A 81 MET HG2 . 34640 1 612 . 1 . 1 67 67 MET HG3 H 1 2.525 0.020 . . . . . . A 81 MET HG3 . 34640 1 613 . 1 . 1 67 67 MET HE1 H 1 2.038 0.020 . . . . . . A 81 MET HE1 . 34640 1 614 . 1 . 1 67 67 MET HE2 H 1 2.038 0.020 . . . . . . A 81 MET HE2 . 34640 1 615 . 1 . 1 67 67 MET HE3 H 1 2.038 0.020 . . . . . . A 81 MET HE3 . 34640 1 616 . 1 . 1 67 67 MET CA C 13 59.978 0.200 . . . . . . A 81 MET CA . 34640 1 617 . 1 . 1 67 67 MET CB C 13 31.943 0.200 . . . . . . A 81 MET CB . 34640 1 618 . 1 . 1 67 67 MET CG C 13 32.572 0.047 . . . . . . A 81 MET CG . 34640 1 619 . 1 . 1 67 67 MET CE C 13 17.681 0.022 . . . . . . A 81 MET CE . 34640 1 620 . 1 . 1 67 67 MET N N 15 117.026 0.010 . . . . . . A 81 MET N . 34640 1 621 . 1 . 1 68 68 GLN H H 1 6.943 0.004 . . . . . . A 82 GLN H . 34640 1 622 . 1 . 1 68 68 GLN HA H 1 3.446 0.020 . . . . . . A 82 GLN HA . 34640 1 623 . 1 . 1 68 68 GLN HB2 H 1 1.502 0.020 . . . . . . A 82 GLN HB2 . 34640 1 624 . 1 . 1 68 68 GLN HB3 H 1 1.502 0.020 . . . . . . A 82 GLN HB3 . 34640 1 625 . 1 . 1 68 68 GLN HG2 H 1 1.517 0.020 . . . . . . A 82 GLN HG2 . 34640 1 626 . 1 . 1 68 68 GLN HG3 H 1 1.182 0.020 . . . . . . A 82 GLN HG3 . 34640 1 627 . 1 . 1 68 68 GLN HE21 H 1 7.163 0.007 . . . . . . A 82 GLN HE21 . 34640 1 628 . 1 . 1 68 68 GLN HE22 H 1 6.773 0.007 . . . . . . A 82 GLN HE22 . 34640 1 629 . 1 . 1 68 68 GLN CA C 13 58.400 0.104 . . . . . . A 82 GLN CA . 34640 1 630 . 1 . 1 68 68 GLN CB C 13 29.391 0.157 . . . . . . A 82 GLN CB . 34640 1 631 . 1 . 1 68 68 GLN CG C 13 34.760 0.103 . . . . . . A 82 GLN CG . 34640 1 632 . 1 . 1 68 68 GLN N N 15 116.041 0.033 . . . . . . A 82 GLN N . 34640 1 633 . 1 . 1 68 68 GLN NE2 N 15 113.018 0.060 . . . . . . A 82 GLN NE2 . 34640 1 634 . 1 . 1 69 69 THR H H 1 7.726 0.006 . . . . . . A 83 THR H . 34640 1 635 . 1 . 1 69 69 THR HA H 1 3.930 0.004 . . . . . . A 83 THR HA . 34640 1 636 . 1 . 1 69 69 THR HB H 1 4.037 0.001 . . . . . . A 83 THR HB . 34640 1 637 . 1 . 1 69 69 THR HG21 H 1 1.059 0.020 . . . . . . A 83 THR HG21 . 34640 1 638 . 1 . 1 69 69 THR HG22 H 1 1.059 0.020 . . . . . . A 83 THR HG22 . 34640 1 639 . 1 . 1 69 69 THR HG23 H 1 1.059 0.020 . . . . . . A 83 THR HG23 . 34640 1 640 . 1 . 1 69 69 THR CA C 13 64.270 0.047 . . . . . . A 83 THR CA . 34640 1 641 . 1 . 1 69 69 THR CB C 13 68.918 0.030 . . . . . . A 83 THR CB . 34640 1 642 . 1 . 1 69 69 THR CG2 C 13 21.645 0.020 . . . . . . A 83 THR CG2 . 34640 1 643 . 1 . 1 69 69 THR N N 15 110.958 0.027 . . . . . . A 83 THR N . 34640 1 644 . 1 . 1 70 70 ARG H H 1 8.250 0.004 . . . . . . A 84 ARG H . 34640 1 645 . 1 . 1 70 70 ARG HA H 1 3.969 0.020 . . . . . . A 84 ARG HA . 34640 1 646 . 1 . 1 70 70 ARG HB2 H 1 1.477 0.020 . . . . . . A 84 ARG HB2 . 34640 1 647 . 1 . 1 70 70 ARG HB3 H 1 1.096 0.020 . . . . . . A 84 ARG HB3 . 34640 1 648 . 1 . 1 70 70 ARG HG2 H 1 1.304 0.020 . . . . . . A 84 ARG HG2 . 34640 1 649 . 1 . 1 70 70 ARG HG3 H 1 1.005 0.020 . . . . . . A 84 ARG HG3 . 34640 1 650 . 1 . 1 70 70 ARG HD2 H 1 2.950 0.020 . . . . . . A 84 ARG HD2 . 34640 1 651 . 1 . 1 70 70 ARG HD3 H 1 2.816 0.020 . . . . . . A 84 ARG HD3 . 34640 1 652 . 1 . 1 70 70 ARG CA C 13 57.610 0.200 . . . . . . A 84 ARG CA . 34640 1 653 . 1 . 1 70 70 ARG CB C 13 31.681 0.011 . . . . . . A 84 ARG CB . 34640 1 654 . 1 . 1 70 70 ARG CG C 13 27.187 0.016 . . . . . . A 84 ARG CG . 34640 1 655 . 1 . 1 70 70 ARG CD C 13 43.349 0.017 . . . . . . A 84 ARG CD . 34640 1 656 . 1 . 1 70 70 ARG N N 15 120.437 0.022 . . . . . . A 84 ARG N . 34640 1 657 . 1 . 1 71 71 TYR H H 1 7.147 0.005 . . . . . . A 85 TYR H . 34640 1 658 . 1 . 1 71 71 TYR HA H 1 5.309 0.004 . . . . . . A 85 TYR HA . 34640 1 659 . 1 . 1 71 71 TYR HB2 H 1 3.242 0.020 . . . . . . A 85 TYR HB2 . 34640 1 660 . 1 . 1 71 71 TYR HB3 H 1 2.878 0.020 . . . . . . A 85 TYR HB3 . 34640 1 661 . 1 . 1 71 71 TYR HD1 H 1 7.102 0.020 . . . . . . A 85 TYR HD1 . 34640 1 662 . 1 . 1 71 71 TYR HD2 H 1 7.102 0.020 . . . . . . A 85 TYR HD2 . 34640 1 663 . 1 . 1 71 71 TYR HE1 H 1 6.683 0.020 . . . . . . A 85 TYR HE1 . 34640 1 664 . 1 . 1 71 71 TYR HE2 H 1 6.683 0.020 . . . . . . A 85 TYR HE2 . 34640 1 665 . 1 . 1 71 71 TYR CA C 13 55.523 0.227 . . . . . . A 85 TYR CA . 34640 1 666 . 1 . 1 71 71 TYR CB C 13 38.952 0.018 . . . . . . A 85 TYR CB . 34640 1 667 . 1 . 1 71 71 TYR CD1 C 13 133.885 0.200 . . . . . . A 85 TYR CD1 . 34640 1 668 . 1 . 1 71 71 TYR CD2 C 13 133.885 0.200 . . . . . . A 85 TYR CD2 . 34640 1 669 . 1 . 1 71 71 TYR CE1 C 13 117.204 0.200 . . . . . . A 85 TYR CE1 . 34640 1 670 . 1 . 1 71 71 TYR CE2 C 13 117.204 0.200 . . . . . . A 85 TYR CE2 . 34640 1 671 . 1 . 1 71 71 TYR N N 15 114.635 0.018 . . . . . . A 85 TYR N . 34640 1 672 . 1 . 1 72 72 PRO HA H 1 4.356 0.020 . . . . . . A 86 PRO HA . 34640 1 673 . 1 . 1 72 72 PRO HB2 H 1 2.424 0.020 . . . . . . A 86 PRO HB2 . 34640 1 674 . 1 . 1 72 72 PRO HB3 H 1 1.970 0.020 . . . . . . A 86 PRO HB3 . 34640 1 675 . 1 . 1 72 72 PRO HG2 H 1 2.016 0.020 . . . . . . A 86 PRO HG2 . 34640 1 676 . 1 . 1 72 72 PRO HG3 H 1 1.932 0.020 . . . . . . A 86 PRO HG3 . 34640 1 677 . 1 . 1 72 72 PRO HD2 H 1 3.489 0.020 . . . . . . A 86 PRO HD2 . 34640 1 678 . 1 . 1 72 72 PRO HD3 H 1 3.097 0.020 . . . . . . A 86 PRO HD3 . 34640 1 679 . 1 . 1 72 72 PRO CA C 13 65.947 0.024 . . . . . . A 86 PRO CA . 34640 1 680 . 1 . 1 72 72 PRO CB C 13 31.288 0.062 . . . . . . A 86 PRO CB . 34640 1 681 . 1 . 1 72 72 PRO CG C 13 27.744 0.059 . . . . . . A 86 PRO CG . 34640 1 682 . 1 . 1 72 72 PRO CD C 13 50.320 0.036 . . . . . . A 86 PRO CD . 34640 1 683 . 1 . 1 73 73 LEU H H 1 8.408 0.003 . . . . . . A 87 LEU H . 34640 1 684 . 1 . 1 73 73 LEU HA H 1 4.186 0.020 . . . . . . A 87 LEU HA . 34640 1 685 . 1 . 1 73 73 LEU HB2 H 1 1.852 0.020 . . . . . . A 87 LEU HB2 . 34640 1 686 . 1 . 1 73 73 LEU HB3 H 1 1.578 0.020 . . . . . . A 87 LEU HB3 . 34640 1 687 . 1 . 1 73 73 LEU HG H 1 1.591 0.020 . . . . . . A 87 LEU HG . 34640 1 688 . 1 . 1 73 73 LEU HD11 H 1 0.817 0.020 . . . . . . A 87 LEU HD11 . 34640 1 689 . 1 . 1 73 73 LEU HD12 H 1 0.817 0.020 . . . . . . A 87 LEU HD12 . 34640 1 690 . 1 . 1 73 73 LEU HD13 H 1 0.817 0.020 . . . . . . A 87 LEU HD13 . 34640 1 691 . 1 . 1 73 73 LEU HD21 H 1 0.879 0.020 . . . . . . A 87 LEU HD21 . 34640 1 692 . 1 . 1 73 73 LEU HD22 H 1 0.879 0.020 . . . . . . A 87 LEU HD22 . 34640 1 693 . 1 . 1 73 73 LEU HD23 H 1 0.879 0.020 . . . . . . A 87 LEU HD23 . 34640 1 694 . 1 . 1 73 73 LEU CA C 13 58.050 0.036 . . . . . . A 87 LEU CA . 34640 1 695 . 1 . 1 73 73 LEU CB C 13 41.007 0.013 . . . . . . A 87 LEU CB . 34640 1 696 . 1 . 1 73 73 LEU CG C 13 27.453 0.200 . . . . . . A 87 LEU CG . 34640 1 697 . 1 . 1 73 73 LEU CD1 C 13 23.514 0.200 . . . . . . A 87 LEU CD1 . 34640 1 698 . 1 . 1 73 73 LEU CD2 C 13 24.545 0.200 . . . . . . A 87 LEU CD2 . 34640 1 699 . 1 . 1 73 73 LEU N N 15 119.445 0.021 . . . . . . A 87 LEU N . 34640 1 700 . 1 . 1 74 74 ILE H H 1 7.368 0.001 . . . . . . A 88 ILE H . 34640 1 701 . 1 . 1 74 74 ILE HA H 1 3.486 0.020 . . . . . . A 88 ILE HA . 34640 1 702 . 1 . 1 74 74 ILE HB H 1 1.916 0.020 . . . . . . A 88 ILE HB . 34640 1 703 . 1 . 1 74 74 ILE HG12 H 1 1.410 0.020 . . . . . . A 88 ILE HG12 . 34640 1 704 . 1 . 1 74 74 ILE HG13 H 1 1.114 0.020 . . . . . . A 88 ILE HG13 . 34640 1 705 . 1 . 1 74 74 ILE HG21 H 1 0.742 0.020 . . . . . . A 88 ILE HG21 . 34640 1 706 . 1 . 1 74 74 ILE HG22 H 1 0.742 0.020 . . . . . . A 88 ILE HG22 . 34640 1 707 . 1 . 1 74 74 ILE HG23 H 1 0.742 0.020 . . . . . . A 88 ILE HG23 . 34640 1 708 . 1 . 1 74 74 ILE HD11 H 1 0.400 0.020 . . . . . . A 88 ILE HD11 . 34640 1 709 . 1 . 1 74 74 ILE HD12 H 1 0.400 0.020 . . . . . . A 88 ILE HD12 . 34640 1 710 . 1 . 1 74 74 ILE HD13 H 1 0.400 0.020 . . . . . . A 88 ILE HD13 . 34640 1 711 . 1 . 1 74 74 ILE CA C 13 64.076 0.200 . . . . . . A 88 ILE CA . 34640 1 712 . 1 . 1 74 74 ILE CB C 13 37.190 0.200 . . . . . . A 88 ILE CB . 34640 1 713 . 1 . 1 74 74 ILE CG1 C 13 27.918 0.010 . . . . . . A 88 ILE CG1 . 34640 1 714 . 1 . 1 74 74 ILE CG2 C 13 17.674 0.200 . . . . . . A 88 ILE CG2 . 34640 1 715 . 1 . 1 74 74 ILE CD1 C 13 11.833 0.200 . . . . . . A 88 ILE CD1 . 34640 1 716 . 1 . 1 74 74 ILE N N 15 119.817 0.004 . . . . . . A 88 ILE N . 34640 1 717 . 1 . 1 75 75 PHE H H 1 8.735 0.005 . . . . . . A 89 PHE H . 34640 1 718 . 1 . 1 75 75 PHE HA H 1 3.820 0.020 . . . . . . A 89 PHE HA . 34640 1 719 . 1 . 1 75 75 PHE HB2 H 1 3.037 0.020 . . . . . . A 89 PHE HB2 . 34640 1 720 . 1 . 1 75 75 PHE HB3 H 1 2.912 0.020 . . . . . . A 89 PHE HB3 . 34640 1 721 . 1 . 1 75 75 PHE HD1 H 1 7.115 0.020 . . . . . . A 89 PHE HD1 . 34640 1 722 . 1 . 1 75 75 PHE HD2 H 1 7.115 0.020 . . . . . . A 89 PHE HD2 . 34640 1 723 . 1 . 1 75 75 PHE HE1 H 1 7.285 0.020 . . . . . . A 89 PHE HE1 . 34640 1 724 . 1 . 1 75 75 PHE HE2 H 1 7.285 0.020 . . . . . . A 89 PHE HE2 . 34640 1 725 . 1 . 1 75 75 PHE CA C 13 63.359 0.024 . . . . . . A 89 PHE CA . 34640 1 726 . 1 . 1 75 75 PHE CB C 13 39.274 0.037 . . . . . . A 89 PHE CB . 34640 1 727 . 1 . 1 75 75 PHE CD1 C 13 131.555 0.006 . . . . . . A 89 PHE CD1 . 34640 1 728 . 1 . 1 75 75 PHE CD2 C 13 131.555 0.006 . . . . . . A 89 PHE CD2 . 34640 1 729 . 1 . 1 75 75 PHE CE1 C 13 131.106 0.200 . . . . . . A 89 PHE CE1 . 34640 1 730 . 1 . 1 75 75 PHE CE2 C 13 131.106 0.200 . . . . . . A 89 PHE CE2 . 34640 1 731 . 1 . 1 75 75 PHE N N 15 119.187 0.023 . . . . . . A 89 PHE N . 34640 1 732 . 1 . 1 76 76 SER H H 1 8.214 0.002 . . . . . . A 90 SER H . 34640 1 733 . 1 . 1 76 76 SER HA H 1 4.021 0.008 . . . . . . A 90 SER HA . 34640 1 734 . 1 . 1 76 76 SER HB2 H 1 4.037 0.003 . . . . . . A 90 SER HB2 . 34640 1 735 . 1 . 1 76 76 SER HB3 H 1 3.989 0.004 . . . . . . A 90 SER HB3 . 34640 1 736 . 1 . 1 76 76 SER CA C 13 62.131 0.019 . . . . . . A 90 SER CA . 34640 1 737 . 1 . 1 76 76 SER CB C 13 62.719 0.019 . . . . . . A 90 SER CB . 34640 1 738 . 1 . 1 76 76 SER N N 15 112.563 0.024 . . . . . . A 90 SER N . 34640 1 739 . 1 . 1 77 77 ARG H H 1 7.695 0.005 . . . . . . A 91 ARG H . 34640 1 740 . 1 . 1 77 77 ARG HA H 1 3.995 0.020 . . . . . . A 91 ARG HA . 34640 1 741 . 1 . 1 77 77 ARG HB2 H 1 1.997 0.020 . . . . . . A 91 ARG HB2 . 34640 1 742 . 1 . 1 77 77 ARG HB3 H 1 1.884 0.005 . . . . . . A 91 ARG HB3 . 34640 1 743 . 1 . 1 77 77 ARG HG2 H 1 1.810 0.001 . . . . . . A 91 ARG HG2 . 34640 1 744 . 1 . 1 77 77 ARG HG3 H 1 1.502 0.003 . . . . . . A 91 ARG HG3 . 34640 1 745 . 1 . 1 77 77 ARG HD2 H 1 3.125 0.015 . . . . . . A 91 ARG HD2 . 34640 1 746 . 1 . 1 77 77 ARG HD3 H 1 3.064 0.011 . . . . . . A 91 ARG HD3 . 34640 1 747 . 1 . 1 77 77 ARG CA C 13 60.686 0.015 . . . . . . A 91 ARG CA . 34640 1 748 . 1 . 1 77 77 ARG CB C 13 31.039 0.049 . . . . . . A 91 ARG CB . 34640 1 749 . 1 . 1 77 77 ARG CG C 13 28.163 0.079 . . . . . . A 91 ARG CG . 34640 1 750 . 1 . 1 77 77 ARG CD C 13 44.597 0.064 . . . . . . A 91 ARG CD . 34640 1 751 . 1 . 1 77 77 ARG N N 15 122.408 0.041 . . . . . . A 91 ARG N . 34640 1 752 . 1 . 1 78 78 VAL H H 1 8.149 0.004 . . . . . . A 92 VAL H . 34640 1 753 . 1 . 1 78 78 VAL HA H 1 3.459 0.002 . . . . . . A 92 VAL HA . 34640 1 754 . 1 . 1 78 78 VAL HB H 1 1.999 0.003 . . . . . . A 92 VAL HB . 34640 1 755 . 1 . 1 78 78 VAL HG11 H 1 0.864 0.020 . . . . . . A 92 VAL HG11 . 34640 1 756 . 1 . 1 78 78 VAL HG12 H 1 0.864 0.020 . . . . . . A 92 VAL HG12 . 34640 1 757 . 1 . 1 78 78 VAL HG13 H 1 0.864 0.020 . . . . . . A 92 VAL HG13 . 34640 1 758 . 1 . 1 78 78 VAL HG21 H 1 0.595 0.001 . . . . . . A 92 VAL HG21 . 34640 1 759 . 1 . 1 78 78 VAL HG22 H 1 0.595 0.001 . . . . . . A 92 VAL HG22 . 34640 1 760 . 1 . 1 78 78 VAL HG23 H 1 0.595 0.001 . . . . . . A 92 VAL HG23 . 34640 1 761 . 1 . 1 78 78 VAL CA C 13 67.378 0.014 . . . . . . A 92 VAL CA . 34640 1 762 . 1 . 1 78 78 VAL CB C 13 31.234 0.024 . . . . . . A 92 VAL CB . 34640 1 763 . 1 . 1 78 78 VAL CG1 C 13 24.364 0.023 . . . . . . A 92 VAL CG1 . 34640 1 764 . 1 . 1 78 78 VAL CG2 C 13 20.985 0.062 . . . . . . A 92 VAL CG2 . 34640 1 765 . 1 . 1 78 78 VAL N N 15 123.074 0.023 . . . . . . A 92 VAL N . 34640 1 766 . 1 . 1 79 79 LYS H H 1 7.994 0.002 . . . . . . A 93 LYS H . 34640 1 767 . 1 . 1 79 79 LYS HA H 1 3.653 0.002 . . . . . . A 93 LYS HA . 34640 1 768 . 1 . 1 79 79 LYS HB2 H 1 1.777 0.009 . . . . . . A 93 LYS HB2 . 34640 1 769 . 1 . 1 79 79 LYS HB3 H 1 1.587 0.001 . . . . . . A 93 LYS HB3 . 34640 1 770 . 1 . 1 79 79 LYS HG2 H 1 1.214 0.003 . . . . . . A 93 LYS HG2 . 34640 1 771 . 1 . 1 79 79 LYS HG3 H 1 1.214 0.003 . . . . . . A 93 LYS HG3 . 34640 1 772 . 1 . 1 79 79 LYS HD2 H 1 1.609 0.009 . . . . . . A 93 LYS HD2 . 34640 1 773 . 1 . 1 79 79 LYS HD3 H 1 1.609 0.009 . . . . . . A 93 LYS HD3 . 34640 1 774 . 1 . 1 79 79 LYS HE2 H 1 2.904 0.010 . . . . . . A 93 LYS HE2 . 34640 1 775 . 1 . 1 79 79 LYS HE3 H 1 2.842 0.020 . . . . . . A 93 LYS HE3 . 34640 1 776 . 1 . 1 79 79 LYS CA C 13 60.842 0.037 . . . . . . A 93 LYS CA . 34640 1 777 . 1 . 1 79 79 LYS CB C 13 32.141 0.089 . . . . . . A 93 LYS CB . 34640 1 778 . 1 . 1 79 79 LYS CG C 13 25.381 0.018 . . . . . . A 93 LYS CG . 34640 1 779 . 1 . 1 79 79 LYS CD C 13 29.940 0.039 . . . . . . A 93 LYS CD . 34640 1 780 . 1 . 1 79 79 LYS CE C 13 41.661 0.014 . . . . . . A 93 LYS CE . 34640 1 781 . 1 . 1 79 79 LYS N N 15 118.956 0.014 . . . . . . A 93 LYS N . 34640 1 782 . 1 . 1 80 80 LYS H H 1 8.147 0.002 . . . . . . A 94 LYS H . 34640 1 783 . 1 . 1 80 80 LYS HA H 1 4.022 0.001 . . . . . . A 94 LYS HA . 34640 1 784 . 1 . 1 80 80 LYS HB2 H 1 1.861 0.004 . . . . . . A 94 LYS HB2 . 34640 1 785 . 1 . 1 80 80 LYS HB3 H 1 1.861 0.004 . . . . . . A 94 LYS HB3 . 34640 1 786 . 1 . 1 80 80 LYS HG2 H 1 1.470 0.012 . . . . . . A 94 LYS HG2 . 34640 1 787 . 1 . 1 80 80 LYS HG3 H 1 1.408 0.006 . . . . . . A 94 LYS HG3 . 34640 1 788 . 1 . 1 80 80 LYS HD2 H 1 1.593 0.003 . . . . . . A 94 LYS HD2 . 34640 1 789 . 1 . 1 80 80 LYS HD3 H 1 1.593 0.003 . . . . . . A 94 LYS HD3 . 34640 1 790 . 1 . 1 80 80 LYS HE2 H 1 2.841 0.020 . . . . . . A 94 LYS HE2 . 34640 1 791 . 1 . 1 80 80 LYS HE3 H 1 2.841 0.020 . . . . . . A 94 LYS HE3 . 34640 1 792 . 1 . 1 80 80 LYS CA C 13 59.127 0.012 . . . . . . A 94 LYS CA . 34640 1 793 . 1 . 1 80 80 LYS CB C 13 31.891 0.018 . . . . . . A 94 LYS CB . 34640 1 794 . 1 . 1 80 80 LYS CG C 13 25.016 0.042 . . . . . . A 94 LYS CG . 34640 1 795 . 1 . 1 80 80 LYS CD C 13 28.848 0.015 . . . . . . A 94 LYS CD . 34640 1 796 . 1 . 1 80 80 LYS CE C 13 42.115 0.041 . . . . . . A 94 LYS CE . 34640 1 797 . 1 . 1 80 80 LYS N N 15 119.334 0.017 . . . . . . A 94 LYS N . 34640 1 798 . 1 . 1 81 81 SER H H 1 8.293 0.002 . . . . . . A 95 SER H . 34640 1 799 . 1 . 1 81 81 SER HA H 1 4.058 0.004 . . . . . . A 95 SER HA . 34640 1 800 . 1 . 1 81 81 SER HB2 H 1 4.178 0.001 . . . . . . A 95 SER HB2 . 34640 1 801 . 1 . 1 81 81 SER HB3 H 1 3.904 0.006 . . . . . . A 95 SER HB3 . 34640 1 802 . 1 . 1 81 81 SER CA C 13 62.654 0.022 . . . . . . A 95 SER CA . 34640 1 803 . 1 . 1 81 81 SER CB C 13 62.785 0.021 . . . . . . A 95 SER CB . 34640 1 804 . 1 . 1 81 81 SER N N 15 116.389 0.010 . . . . . . A 95 SER N . 34640 1 805 . 1 . 1 82 82 VAL H H 1 8.030 0.003 . . . . . . A 96 VAL H . 34640 1 806 . 1 . 1 82 82 VAL HA H 1 3.300 0.004 . . . . . . A 96 VAL HA . 34640 1 807 . 1 . 1 82 82 VAL HB H 1 2.266 0.005 . . . . . . A 96 VAL HB . 34640 1 808 . 1 . 1 82 82 VAL HG11 H 1 1.223 0.020 . . . . . . A 96 VAL HG11 . 34640 1 809 . 1 . 1 82 82 VAL HG12 H 1 1.223 0.020 . . . . . . A 96 VAL HG12 . 34640 1 810 . 1 . 1 82 82 VAL HG13 H 1 1.223 0.020 . . . . . . A 96 VAL HG13 . 34640 1 811 . 1 . 1 82 82 VAL HG21 H 1 1.052 0.003 . . . . . . A 96 VAL HG21 . 34640 1 812 . 1 . 1 82 82 VAL HG22 H 1 1.052 0.003 . . . . . . A 96 VAL HG22 . 34640 1 813 . 1 . 1 82 82 VAL HG23 H 1 1.052 0.003 . . . . . . A 96 VAL HG23 . 34640 1 814 . 1 . 1 82 82 VAL CA C 13 66.755 0.030 . . . . . . A 96 VAL CA . 34640 1 815 . 1 . 1 82 82 VAL CB C 13 31.352 0.044 . . . . . . A 96 VAL CB . 34640 1 816 . 1 . 1 82 82 VAL CG1 C 13 24.379 0.032 . . . . . . A 96 VAL CG1 . 34640 1 817 . 1 . 1 82 82 VAL CG2 C 13 22.036 0.023 . . . . . . A 96 VAL CG2 . 34640 1 818 . 1 . 1 82 82 VAL N N 15 121.694 0.015 . . . . . . A 96 VAL N . 34640 1 819 . 1 . 1 83 83 GLU H H 1 7.928 0.002 . . . . . . A 97 GLU H . 34640 1 820 . 1 . 1 83 83 GLU HA H 1 3.905 0.001 . . . . . . A 97 GLU HA . 34640 1 821 . 1 . 1 83 83 GLU HB2 H 1 2.109 0.001 . . . . . . A 97 GLU HB2 . 34640 1 822 . 1 . 1 83 83 GLU HB3 H 1 2.109 0.001 . . . . . . A 97 GLU HB3 . 34640 1 823 . 1 . 1 83 83 GLU HG2 H 1 2.276 0.001 . . . . . . A 97 GLU HG2 . 34640 1 824 . 1 . 1 83 83 GLU HG3 H 1 2.276 0.001 . . . . . . A 97 GLU HG3 . 34640 1 825 . 1 . 1 83 83 GLU CA C 13 59.633 0.035 . . . . . . A 97 GLU CA . 34640 1 826 . 1 . 1 83 83 GLU CB C 13 29.428 0.027 . . . . . . A 97 GLU CB . 34640 1 827 . 1 . 1 83 83 GLU CG C 13 36.242 0.023 . . . . . . A 97 GLU CG . 34640 1 828 . 1 . 1 83 83 GLU N N 15 120.154 0.008 . . . . . . A 97 GLU N . 34640 1 829 . 1 . 1 84 84 VAL H H 1 8.125 0.003 . . . . . . A 98 VAL H . 34640 1 830 . 1 . 1 84 84 VAL HA H 1 3.526 0.020 . . . . . . A 98 VAL HA . 34640 1 831 . 1 . 1 84 84 VAL HB H 1 2.018 0.020 . . . . . . A 98 VAL HB . 34640 1 832 . 1 . 1 84 84 VAL HG11 H 1 1.000 0.020 . . . . . . A 98 VAL HG11 . 34640 1 833 . 1 . 1 84 84 VAL HG12 H 1 1.000 0.020 . . . . . . A 98 VAL HG12 . 34640 1 834 . 1 . 1 84 84 VAL HG13 H 1 1.000 0.020 . . . . . . A 98 VAL HG13 . 34640 1 835 . 1 . 1 84 84 VAL HG21 H 1 0.770 0.020 . . . . . . A 98 VAL HG21 . 34640 1 836 . 1 . 1 84 84 VAL HG22 H 1 0.770 0.020 . . . . . . A 98 VAL HG22 . 34640 1 837 . 1 . 1 84 84 VAL HG23 H 1 0.770 0.020 . . . . . . A 98 VAL HG23 . 34640 1 838 . 1 . 1 84 84 VAL CA C 13 66.752 0.200 . . . . . . A 98 VAL CA . 34640 1 839 . 1 . 1 84 84 VAL CB C 13 31.853 0.200 . . . . . . A 98 VAL CB . 34640 1 840 . 1 . 1 84 84 VAL CG1 C 13 23.029 0.200 . . . . . . A 98 VAL CG1 . 34640 1 841 . 1 . 1 84 84 VAL CG2 C 13 21.002 0.200 . . . . . . A 98 VAL CG2 . 34640 1 842 . 1 . 1 84 84 VAL N N 15 120.009 0.016 . . . . . . A 98 VAL N . 34640 1 843 . 1 . 1 85 85 LEU H H 1 7.086 0.001 . . . . . . A 99 LEU H . 34640 1 844 . 1 . 1 85 85 LEU HA H 1 3.762 0.020 . . . . . . A 99 LEU HA . 34640 1 845 . 1 . 1 85 85 LEU HB2 H 1 1.055 0.020 . . . . . . A 99 LEU HB2 . 34640 1 846 . 1 . 1 85 85 LEU HB3 H 1 0.342 0.020 . . . . . . A 99 LEU HB3 . 34640 1 847 . 1 . 1 85 85 LEU HG H 1 1.286 0.020 . . . . . . A 99 LEU HG . 34640 1 848 . 1 . 1 85 85 LEU HD11 H 1 -0.553 0.020 . . . . . . A 99 LEU HD11 . 34640 1 849 . 1 . 1 85 85 LEU HD12 H 1 -0.553 0.020 . . . . . . A 99 LEU HD12 . 34640 1 850 . 1 . 1 85 85 LEU HD13 H 1 -0.553 0.020 . . . . . . A 99 LEU HD13 . 34640 1 851 . 1 . 1 85 85 LEU HD21 H 1 0.472 0.020 . . . . . . A 99 LEU HD21 . 34640 1 852 . 1 . 1 85 85 LEU HD22 H 1 0.472 0.020 . . . . . . A 99 LEU HD22 . 34640 1 853 . 1 . 1 85 85 LEU HD23 H 1 0.472 0.020 . . . . . . A 99 LEU HD23 . 34640 1 854 . 1 . 1 85 85 LEU CA C 13 58.352 0.200 . . . . . . A 99 LEU CA . 34640 1 855 . 1 . 1 85 85 LEU CB C 13 41.885 0.049 . . . . . . A 99 LEU CB . 34640 1 856 . 1 . 1 85 85 LEU CG C 13 27.217 0.200 . . . . . . A 99 LEU CG . 34640 1 857 . 1 . 1 85 85 LEU CD1 C 13 25.276 0.200 . . . . . . A 99 LEU CD1 . 34640 1 858 . 1 . 1 85 85 LEU CD2 C 13 23.914 0.200 . . . . . . A 99 LEU CD2 . 34640 1 859 . 1 . 1 85 85 LEU N N 15 119.292 0.013 . . . . . . A 99 LEU N . 34640 1 860 . 1 . 1 86 86 LYS H H 1 8.238 0.004 . . . . . . A 100 LYS H . 34640 1 861 . 1 . 1 86 86 LYS HA H 1 3.679 0.020 . . . . . . A 100 LYS HA . 34640 1 862 . 1 . 1 86 86 LYS HB2 H 1 1.922 0.020 . . . . . . A 100 LYS HB2 . 34640 1 863 . 1 . 1 86 86 LYS HB3 H 1 1.922 0.020 . . . . . . A 100 LYS HB3 . 34640 1 864 . 1 . 1 86 86 LYS HG2 H 1 1.598 0.020 . . . . . . A 100 LYS HG2 . 34640 1 865 . 1 . 1 86 86 LYS HG3 H 1 1.216 0.020 . . . . . . A 100 LYS HG3 . 34640 1 866 . 1 . 1 86 86 LYS HD2 H 1 1.791 0.020 . . . . . . A 100 LYS HD2 . 34640 1 867 . 1 . 1 86 86 LYS HD3 H 1 1.622 0.020 . . . . . . A 100 LYS HD3 . 34640 1 868 . 1 . 1 86 86 LYS HE2 H 1 2.954 0.020 . . . . . . A 100 LYS HE2 . 34640 1 869 . 1 . 1 86 86 LYS HE3 H 1 2.912 0.020 . . . . . . A 100 LYS HE3 . 34640 1 870 . 1 . 1 86 86 LYS CA C 13 59.759 0.012 . . . . . . A 100 LYS CA . 34640 1 871 . 1 . 1 86 86 LYS CB C 13 32.594 0.045 . . . . . . A 100 LYS CB . 34640 1 872 . 1 . 1 86 86 LYS CG C 13 24.503 0.041 . . . . . . A 100 LYS CG . 34640 1 873 . 1 . 1 86 86 LYS CD C 13 29.713 0.033 . . . . . . A 100 LYS CD . 34640 1 874 . 1 . 1 86 86 LYS CE C 13 42.331 0.019 . . . . . . A 100 LYS CE . 34640 1 875 . 1 . 1 86 86 LYS N N 15 119.742 0.018 . . . . . . A 100 LYS N . 34640 1 876 . 1 . 1 87 87 ASN H H 1 8.964 0.003 . . . . . . A 101 ASN H . 34640 1 877 . 1 . 1 87 87 ASN HA H 1 4.374 0.020 . . . . . . A 101 ASN HA . 34640 1 878 . 1 . 1 87 87 ASN HB2 H 1 2.891 0.020 . . . . . . A 101 ASN HB2 . 34640 1 879 . 1 . 1 87 87 ASN HB3 H 1 2.770 0.020 . . . . . . A 101 ASN HB3 . 34640 1 880 . 1 . 1 87 87 ASN HD21 H 1 7.543 0.001 . . . . . . A 101 ASN HD21 . 34640 1 881 . 1 . 1 87 87 ASN HD22 H 1 7.011 0.001 . . . . . . A 101 ASN HD22 . 34640 1 882 . 1 . 1 87 87 ASN CA C 13 55.671 0.016 . . . . . . A 101 ASN CA . 34640 1 883 . 1 . 1 87 87 ASN CB C 13 37.746 0.013 . . . . . . A 101 ASN CB . 34640 1 884 . 1 . 1 87 87 ASN N N 15 121.241 0.020 . . . . . . A 101 ASN N . 34640 1 885 . 1 . 1 87 87 ASN ND2 N 15 112.184 0.005 . . . . . . A 101 ASN ND2 . 34640 1 886 . 1 . 1 88 88 ASN H H 1 8.094 0.001 . . . . . . A 102 ASN H . 34640 1 887 . 1 . 1 88 88 ASN HA H 1 4.630 0.006 . . . . . . A 102 ASN HA . 34640 1 888 . 1 . 1 88 88 ASN HB2 H 1 3.029 0.014 . . . . . . A 102 ASN HB2 . 34640 1 889 . 1 . 1 88 88 ASN HB3 H 1 2.900 0.013 . . . . . . A 102 ASN HB3 . 34640 1 890 . 1 . 1 88 88 ASN HD21 H 1 7.987 0.001 . . . . . . A 102 ASN HD21 . 34640 1 891 . 1 . 1 88 88 ASN HD22 H 1 6.703 0.003 . . . . . . A 102 ASN HD22 . 34640 1 892 . 1 . 1 88 88 ASN CA C 13 52.875 0.200 . . . . . . A 102 ASN CA . 34640 1 893 . 1 . 1 88 88 ASN CB C 13 37.811 0.012 . . . . . . A 102 ASN CB . 34640 1 894 . 1 . 1 88 88 ASN N N 15 119.043 0.007 . . . . . . A 102 ASN N . 34640 1 895 . 1 . 1 88 88 ASN ND2 N 15 109.855 0.011 . . . . . . A 102 ASN ND2 . 34640 1 896 . 1 . 1 89 89 LYS H H 1 7.988 0.003 . . . . . . A 103 LYS H . 34640 1 897 . 1 . 1 89 89 LYS HA H 1 3.625 0.020 . . . . . . A 103 LYS HA . 34640 1 898 . 1 . 1 89 89 LYS HB2 H 1 1.643 0.020 . . . . . . A 103 LYS HB2 . 34640 1 899 . 1 . 1 89 89 LYS HB3 H 1 1.581 0.020 . . . . . . A 103 LYS HB3 . 34640 1 900 . 1 . 1 89 89 LYS HG2 H 1 1.312 0.006 . . . . . . A 103 LYS HG2 . 34640 1 901 . 1 . 1 89 89 LYS HG3 H 1 1.254 0.003 . . . . . . A 103 LYS HG3 . 34640 1 902 . 1 . 1 89 89 LYS HD2 H 1 2.048 0.020 . . . . . . A 103 LYS HD2 . 34640 1 903 . 1 . 1 89 89 LYS HD3 H 1 1.841 0.020 . . . . . . A 103 LYS HD3 . 34640 1 904 . 1 . 1 89 89 LYS HE2 H 1 2.949 0.005 . . . . . . A 103 LYS HE2 . 34640 1 905 . 1 . 1 89 89 LYS HE3 H 1 2.949 0.005 . . . . . . A 103 LYS HE3 . 34640 1 906 . 1 . 1 89 89 LYS CA C 13 56.929 0.017 . . . . . . A 103 LYS CA . 34640 1 907 . 1 . 1 89 89 LYS CB C 13 29.035 0.015 . . . . . . A 103 LYS CB . 34640 1 908 . 1 . 1 89 89 LYS CG C 13 25.042 0.023 . . . . . . A 103 LYS CG . 34640 1 909 . 1 . 1 89 89 LYS CD C 13 28.198 0.024 . . . . . . A 103 LYS CD . 34640 1 910 . 1 . 1 89 89 LYS CE C 13 42.338 0.025 . . . . . . A 103 LYS CE . 34640 1 911 . 1 . 1 89 89 LYS N N 15 114.329 0.024 . . . . . . A 103 LYS N . 34640 1 912 . 1 . 1 90 90 CYS H H 1 7.921 0.004 . . . . . . A 104 CYS H . 34640 1 913 . 1 . 1 90 90 CYS HA H 1 4.507 0.020 . . . . . . A 104 CYS HA . 34640 1 914 . 1 . 1 90 90 CYS HB2 H 1 3.150 0.020 . . . . . . A 104 CYS HB2 . 34640 1 915 . 1 . 1 90 90 CYS HB3 H 1 2.806 0.020 . . . . . . A 104 CYS HB3 . 34640 1 916 . 1 . 1 90 90 CYS CA C 13 56.527 0.200 . . . . . . A 104 CYS CA . 34640 1 917 . 1 . 1 90 90 CYS CB C 13 42.057 0.060 . . . . . . A 104 CYS CB . 34640 1 918 . 1 . 1 90 90 CYS N N 15 123.097 0.022 . . . . . . A 104 CYS N . 34640 1 919 . 1 . 1 91 91 PRO HA H 1 4.090 0.003 . . . . . . A 105 PRO HA . 34640 1 920 . 1 . 1 91 91 PRO HB2 H 1 2.132 0.020 . . . . . . A 105 PRO HB2 . 34640 1 921 . 1 . 1 91 91 PRO HB3 H 1 1.571 0.020 . . . . . . A 105 PRO HB3 . 34640 1 922 . 1 . 1 91 91 PRO HG2 H 1 1.930 0.020 . . . . . . A 105 PRO HG2 . 34640 1 923 . 1 . 1 91 91 PRO HG3 H 1 1.930 0.020 . . . . . . A 105 PRO HG3 . 34640 1 924 . 1 . 1 91 91 PRO HD2 H 1 4.400 0.020 . . . . . . A 105 PRO HD2 . 34640 1 925 . 1 . 1 91 91 PRO HD3 H 1 3.884 0.020 . . . . . . A 105 PRO HD3 . 34640 1 926 . 1 . 1 91 91 PRO CA C 13 66.116 0.087 . . . . . . A 105 PRO CA . 34640 1 927 . 1 . 1 91 91 PRO CB C 13 32.274 0.076 . . . . . . A 105 PRO CB . 34640 1 928 . 1 . 1 91 91 PRO CG C 13 27.971 0.200 . . . . . . A 105 PRO CG . 34640 1 929 . 1 . 1 91 91 PRO CD C 13 50.769 0.017 . . . . . . A 105 PRO CD . 34640 1 930 . 1 . 1 92 92 TYR H H 1 8.986 0.016 . . . . . . A 106 TYR H . 34640 1 931 . 1 . 1 92 92 TYR HA H 1 4.114 0.020 . . . . . . A 106 TYR HA . 34640 1 932 . 1 . 1 92 92 TYR HB2 H 1 3.095 0.020 . . . . . . A 106 TYR HB2 . 34640 1 933 . 1 . 1 92 92 TYR HB3 H 1 2.810 0.020 . . . . . . A 106 TYR HB3 . 34640 1 934 . 1 . 1 92 92 TYR HD1 H 1 7.161 0.007 . . . . . . A 106 TYR HD1 . 34640 1 935 . 1 . 1 92 92 TYR HD2 H 1 7.161 0.007 . . . . . . A 106 TYR HD2 . 34640 1 936 . 1 . 1 92 92 TYR HE1 H 1 6.678 0.005 . . . . . . A 106 TYR HE1 . 34640 1 937 . 1 . 1 92 92 TYR HE2 H 1 6.678 0.005 . . . . . . A 106 TYR HE2 . 34640 1 938 . 1 . 1 92 92 TYR CA C 13 61.855 0.088 . . . . . . A 106 TYR CA . 34640 1 939 . 1 . 1 92 92 TYR CB C 13 36.485 0.200 . . . . . . A 106 TYR CB . 34640 1 940 . 1 . 1 92 92 TYR CD1 C 13 132.652 0.153 . . . . . . A 106 TYR CD1 . 34640 1 941 . 1 . 1 92 92 TYR CD2 C 13 132.652 0.153 . . . . . . A 106 TYR CD2 . 34640 1 942 . 1 . 1 92 92 TYR CE1 C 13 118.125 0.179 . . . . . . A 106 TYR CE1 . 34640 1 943 . 1 . 1 92 92 TYR CE2 C 13 118.125 0.179 . . . . . . A 106 TYR CE2 . 34640 1 944 . 1 . 1 92 92 TYR N N 15 114.664 0.065 . . . . . . A 106 TYR N . 34640 1 945 . 1 . 1 93 93 PHE H H 1 8.099 0.009 . . . . . . A 107 PHE H . 34640 1 946 . 1 . 1 93 93 PHE HA H 1 4.411 0.020 . . . . . . A 107 PHE HA . 34640 1 947 . 1 . 1 93 93 PHE HB2 H 1 3.079 0.020 . . . . . . A 107 PHE HB2 . 34640 1 948 . 1 . 1 93 93 PHE HB3 H 1 3.079 0.020 . . . . . . A 107 PHE HB3 . 34640 1 949 . 1 . 1 93 93 PHE HD1 H 1 7.101 0.020 . . . . . . A 107 PHE HD1 . 34640 1 950 . 1 . 1 93 93 PHE HD2 H 1 7.101 0.020 . . . . . . A 107 PHE HD2 . 34640 1 951 . 1 . 1 93 93 PHE CA C 13 58.439 0.200 . . . . . . A 107 PHE CA . 34640 1 952 . 1 . 1 93 93 PHE CB C 13 41.677 0.032 . . . . . . A 107 PHE CB . 34640 1 953 . 1 . 1 93 93 PHE CD1 C 13 131.826 0.200 . . . . . . A 107 PHE CD1 . 34640 1 954 . 1 . 1 93 93 PHE CD2 C 13 131.826 0.200 . . . . . . A 107 PHE CD2 . 34640 1 955 . 1 . 1 93 93 PHE N N 15 115.470 0.053 . . . . . . A 107 PHE N . 34640 1 956 . 1 . 1 94 94 SER H H 1 7.327 0.002 . . . . . . A 108 SER H . 34640 1 957 . 1 . 1 94 94 SER HA H 1 4.181 0.020 . . . . . . A 108 SER HA . 34640 1 958 . 1 . 1 94 94 SER HB2 H 1 3.876 0.020 . . . . . . A 108 SER HB2 . 34640 1 959 . 1 . 1 94 94 SER HB3 H 1 3.595 0.020 . . . . . . A 108 SER HB3 . 34640 1 960 . 1 . 1 94 94 SER CA C 13 59.823 0.200 . . . . . . A 108 SER CA . 34640 1 961 . 1 . 1 94 94 SER CB C 13 63.740 0.051 . . . . . . A 108 SER CB . 34640 1 962 . 1 . 1 94 94 SER N N 15 114.191 0.033 . . . . . . A 108 SER N . 34640 1 963 . 1 . 1 96 96 GLU H H 1 8.074 0.011 . . . . . . A 110 GLU H . 34640 1 964 . 1 . 1 96 96 GLU HA H 1 4.058 0.020 . . . . . . A 110 GLU HA . 34640 1 965 . 1 . 1 96 96 GLU HB2 H 1 1.946 0.006 . . . . . . A 110 GLU HB2 . 34640 1 966 . 1 . 1 96 96 GLU HB3 H 1 1.781 0.003 . . . . . . A 110 GLU HB3 . 34640 1 967 . 1 . 1 96 96 GLU HG2 H 1 2.125 0.001 . . . . . . A 110 GLU HG2 . 34640 1 968 . 1 . 1 96 96 GLU HG3 H 1 2.125 0.001 . . . . . . A 110 GLU HG3 . 34640 1 969 . 1 . 1 96 96 GLU CA C 13 57.713 0.056 . . . . . . A 110 GLU CA . 34640 1 970 . 1 . 1 96 96 GLU CB C 13 30.347 0.044 . . . . . . A 110 GLU CB . 34640 1 971 . 1 . 1 96 96 GLU CG C 13 36.507 0.015 . . . . . . A 110 GLU CG . 34640 1 972 . 1 . 1 96 96 GLU N N 15 119.241 0.020 . . . . . . A 110 GLU N . 34640 1 973 . 1 . 1 97 97 GLN H H 1 7.963 0.003 . . . . . . A 111 GLN H . 34640 1 974 . 1 . 1 97 97 GLN HA H 1 4.557 0.020 . . . . . . A 111 GLN HA . 34640 1 975 . 1 . 1 97 97 GLN HB2 H 1 1.947 0.020 . . . . . . A 111 GLN HB2 . 34640 1 976 . 1 . 1 97 97 GLN HB3 H 1 1.774 0.020 . . . . . . A 111 GLN HB3 . 34640 1 977 . 1 . 1 97 97 GLN HG2 H 1 2.192 0.020 . . . . . . A 111 GLN HG2 . 34640 1 978 . 1 . 1 97 97 GLN HG3 H 1 2.192 0.020 . . . . . . A 111 GLN HG3 . 34640 1 979 . 1 . 1 97 97 GLN HE21 H 1 7.445 0.002 . . . . . . A 111 GLN HE21 . 34640 1 980 . 1 . 1 97 97 GLN HE22 H 1 6.738 0.020 . . . . . . A 111 GLN HE22 . 34640 1 981 . 1 . 1 97 97 GLN CA C 13 53.314 0.200 . . . . . . A 111 GLN CA . 34640 1 982 . 1 . 1 97 97 GLN CB C 13 29.456 0.028 . . . . . . A 111 GLN CB . 34640 1 983 . 1 . 1 97 97 GLN CG C 13 33.619 0.004 . . . . . . A 111 GLN CG . 34640 1 984 . 1 . 1 97 97 GLN N N 15 118.496 0.013 . . . . . . A 111 GLN N . 34640 1 985 . 1 . 1 97 97 GLN NE2 N 15 111.958 0.010 . . . . . . A 111 GLN NE2 . 34640 1 986 . 1 . 1 98 98 PRO HA H 1 4.278 0.020 . . . . . . A 112 PRO HA . 34640 1 987 . 1 . 1 98 98 PRO HB2 H 1 2.098 0.020 . . . . . . A 112 PRO HB2 . 34640 1 988 . 1 . 1 98 98 PRO HB3 H 1 1.769 0.020 . . . . . . A 112 PRO HB3 . 34640 1 989 . 1 . 1 98 98 PRO HG2 H 1 1.922 0.005 . . . . . . A 112 PRO HG2 . 34640 1 990 . 1 . 1 98 98 PRO HG3 H 1 1.922 0.005 . . . . . . A 112 PRO HG3 . 34640 1 991 . 1 . 1 98 98 PRO HD2 H 1 3.680 0.020 . . . . . . A 112 PRO HD2 . 34640 1 992 . 1 . 1 98 98 PRO HD3 H 1 3.543 0.020 . . . . . . A 112 PRO HD3 . 34640 1 993 . 1 . 1 98 98 PRO CA C 13 63.168 0.017 . . . . . . A 112 PRO CA . 34640 1 994 . 1 . 1 98 98 PRO CB C 13 32.447 0.022 . . . . . . A 112 PRO CB . 34640 1 995 . 1 . 1 98 98 PRO CG C 13 27.248 0.052 . . . . . . A 112 PRO CG . 34640 1 996 . 1 . 1 98 98 PRO CD C 13 50.551 0.039 . . . . . . A 112 PRO CD . 34640 1 997 . 1 . 1 99 99 CYS H H 1 8.565 0.008 . . . . . . A 113 CYS H . 34640 1 998 . 1 . 1 99 99 CYS HA H 1 4.586 0.020 . . . . . . A 113 CYS HA . 34640 1 999 . 1 . 1 99 99 CYS HB2 H 1 3.272 0.020 . . . . . . A 113 CYS HB2 . 34640 1 1000 . 1 . 1 99 99 CYS HB3 H 1 3.013 0.020 . . . . . . A 113 CYS HB3 . 34640 1 1001 . 1 . 1 99 99 CYS CA C 13 54.764 0.200 . . . . . . A 113 CYS CA . 34640 1 1002 . 1 . 1 99 99 CYS CB C 13 40.542 0.118 . . . . . . A 113 CYS CB . 34640 1 1003 . 1 . 1 99 99 CYS N N 15 120.755 0.035 . . . . . . A 113 CYS N . 34640 1 1004 . 1 . 1 100 100 ASN HA H 1 4.773 0.005 . . . . . . A 114 ASN HA . 34640 1 1005 . 1 . 1 100 100 ASN HB2 H 1 2.786 0.003 . . . . . . A 114 ASN HB2 . 34640 1 1006 . 1 . 1 100 100 ASN HB3 H 1 2.705 0.004 . . . . . . A 114 ASN HB3 . 34640 1 1007 . 1 . 1 100 100 ASN HD21 H 1 7.468 0.001 . . . . . . A 114 ASN HD21 . 34640 1 1008 . 1 . 1 100 100 ASN HD22 H 1 6.770 0.002 . . . . . . A 114 ASN HD22 . 34640 1 1009 . 1 . 1 100 100 ASN CA C 13 52.986 0.095 . . . . . . A 114 ASN CA . 34640 1 1010 . 1 . 1 100 100 ASN CB C 13 38.955 0.022 . . . . . . A 114 ASN CB . 34640 1 1011 . 1 . 1 100 100 ASN ND2 N 15 112.067 0.008 . . . . . . A 114 ASN ND2 . 34640 1 1012 . 1 . 1 101 101 GLN H H 1 7.327 0.001 . . . . . . A 115 GLN H . 34640 1 1013 . 1 . 1 101 101 GLN HA H 1 4.549 0.020 . . . . . . A 115 GLN HA . 34640 1 1014 . 1 . 1 101 101 GLN HB2 H 1 1.976 0.020 . . . . . . A 115 GLN HB2 . 34640 1 1015 . 1 . 1 101 101 GLN HB3 H 1 1.843 0.020 . . . . . . A 115 GLN HB3 . 34640 1 1016 . 1 . 1 101 101 GLN HG2 H 1 2.262 0.020 . . . . . . A 115 GLN HG2 . 34640 1 1017 . 1 . 1 101 101 GLN HG3 H 1 2.262 0.020 . . . . . . A 115 GLN HG3 . 34640 1 1018 . 1 . 1 101 101 GLN HE21 H 1 7.397 0.001 . . . . . . A 115 GLN HE21 . 34640 1 1019 . 1 . 1 101 101 GLN HE22 H 1 6.767 0.020 . . . . . . A 115 GLN HE22 . 34640 1 1020 . 1 . 1 101 101 GLN CA C 13 55.850 0.200 . . . . . . A 115 GLN CA . 34640 1 1021 . 1 . 1 101 101 GLN CB C 13 30.495 0.062 . . . . . . A 115 GLN CB . 34640 1 1022 . 1 . 1 101 101 GLN CG C 13 33.872 0.009 . . . . . . A 115 GLN CG . 34640 1 1023 . 1 . 1 101 101 GLN N N 15 119.709 0.010 . . . . . . A 115 GLN N . 34640 1 1024 . 1 . 1 101 101 GLN NE2 N 15 111.995 0.023 . . . . . . A 115 GLN NE2 . 34640 1 1025 . 1 . 1 102 102 THR H H 1 8.236 0.003 . . . . . . A 116 THR H . 34640 1 1026 . 1 . 1 102 102 THR HA H 1 4.844 0.020 . . . . . . A 116 THR HA . 34640 1 1027 . 1 . 1 102 102 THR HB H 1 3.718 0.020 . . . . . . A 116 THR HB . 34640 1 1028 . 1 . 1 102 102 THR HG21 H 1 0.776 0.020 . . . . . . A 116 THR HG21 . 34640 1 1029 . 1 . 1 102 102 THR HG22 H 1 0.776 0.020 . . . . . . A 116 THR HG22 . 34640 1 1030 . 1 . 1 102 102 THR HG23 H 1 0.776 0.020 . . . . . . A 116 THR HG23 . 34640 1 1031 . 1 . 1 102 102 THR CA C 13 59.829 0.049 . . . . . . A 116 THR CA . 34640 1 1032 . 1 . 1 102 102 THR CB C 13 72.654 0.075 . . . . . . A 116 THR CB . 34640 1 1033 . 1 . 1 102 102 THR CG2 C 13 21.377 0.011 . . . . . . A 116 THR CG2 . 34640 1 1034 . 1 . 1 102 102 THR N N 15 115.620 0.014 . . . . . . A 116 THR N . 34640 1 1035 . 1 . 1 103 103 THR H H 1 8.695 0.002 . . . . . . A 117 THR H . 34640 1 1036 . 1 . 1 103 103 THR HA H 1 4.426 0.020 . . . . . . A 117 THR HA . 34640 1 1037 . 1 . 1 103 103 THR HB H 1 3.914 0.020 . . . . . . A 117 THR HB . 34640 1 1038 . 1 . 1 103 103 THR HG21 H 1 1.102 0.020 . . . . . . A 117 THR HG21 . 34640 1 1039 . 1 . 1 103 103 THR HG22 H 1 1.102 0.020 . . . . . . A 117 THR HG22 . 34640 1 1040 . 1 . 1 103 103 THR HG23 H 1 1.102 0.020 . . . . . . A 117 THR HG23 . 34640 1 1041 . 1 . 1 103 103 THR CA C 13 60.580 0.075 . . . . . . A 117 THR CA . 34640 1 1042 . 1 . 1 103 103 THR CB C 13 71.377 0.041 . . . . . . A 117 THR CB . 34640 1 1043 . 1 . 1 103 103 THR CG2 C 13 21.395 0.029 . . . . . . A 117 THR CG2 . 34640 1 1044 . 1 . 1 103 103 THR N N 15 116.215 0.024 . . . . . . A 117 THR N . 34640 1 1045 . 1 . 1 104 104 ALA H H 1 8.392 0.002 . . . . . . A 118 ALA H . 34640 1 1046 . 1 . 1 104 104 ALA HA H 1 4.744 0.020 . . . . . . A 118 ALA HA . 34640 1 1047 . 1 . 1 104 104 ALA HB1 H 1 1.160 0.020 . . . . . . A 118 ALA HB1 . 34640 1 1048 . 1 . 1 104 104 ALA HB2 H 1 1.160 0.020 . . . . . . A 118 ALA HB2 . 34640 1 1049 . 1 . 1 104 104 ALA HB3 H 1 1.160 0.020 . . . . . . A 118 ALA HB3 . 34640 1 1050 . 1 . 1 104 104 ALA CA C 13 52.005 0.031 . . . . . . A 118 ALA CA . 34640 1 1051 . 1 . 1 104 104 ALA CB C 13 19.567 0.011 . . . . . . A 118 ALA CB . 34640 1 1052 . 1 . 1 104 104 ALA N N 15 127.326 0.012 . . . . . . A 118 ALA N . 34640 1 1053 . 1 . 1 105 105 GLY H H 1 9.126 0.002 . . . . . . A 119 GLY H . 34640 1 1054 . 1 . 1 105 105 GLY HA2 H 1 4.536 0.020 . . . . . . A 119 GLY HA2 . 34640 1 1055 . 1 . 1 105 105 GLY HA3 H 1 3.642 0.020 . . . . . . A 119 GLY HA3 . 34640 1 1056 . 1 . 1 105 105 GLY CA C 13 45.055 0.100 . . . . . . A 119 GLY CA . 34640 1 1057 . 1 . 1 105 105 GLY N N 15 109.539 0.012 . . . . . . A 119 GLY N . 34640 1 1058 . 1 . 1 106 106 ASN H H 1 8.293 0.003 . . . . . . A 120 ASN H . 34640 1 1059 . 1 . 1 106 106 ASN HA H 1 4.871 0.005 . . . . . . A 120 ASN HA . 34640 1 1060 . 1 . 1 106 106 ASN HB2 H 1 3.375 0.001 . . . . . . A 120 ASN HB2 . 34640 1 1061 . 1 . 1 106 106 ASN HB3 H 1 3.034 0.020 . . . . . . A 120 ASN HB3 . 34640 1 1062 . 1 . 1 106 106 ASN HD21 H 1 8.372 0.007 . . . . . . A 120 ASN HD21 . 34640 1 1063 . 1 . 1 106 106 ASN HD22 H 1 7.081 0.020 . . . . . . A 120 ASN HD22 . 34640 1 1064 . 1 . 1 106 106 ASN CA C 13 52.044 0.200 . . . . . . A 120 ASN CA . 34640 1 1065 . 1 . 1 106 106 ASN CB C 13 38.549 0.200 . . . . . . A 120 ASN CB . 34640 1 1066 . 1 . 1 106 106 ASN N N 15 117.094 0.049 . . . . . . A 120 ASN N . 34640 1 1067 . 1 . 1 106 106 ASN ND2 N 15 115.093 0.077 . . . . . . A 120 ASN ND2 . 34640 1 1068 . 1 . 1 107 107 ALA H H 1 8.952 0.002 . . . . . . A 121 ALA H . 34640 1 1069 . 1 . 1 107 107 ALA HA H 1 3.992 0.020 . . . . . . A 121 ALA HA . 34640 1 1070 . 1 . 1 107 107 ALA HB1 H 1 1.539 0.020 . . . . . . A 121 ALA HB1 . 34640 1 1071 . 1 . 1 107 107 ALA HB2 H 1 1.539 0.020 . . . . . . A 121 ALA HB2 . 34640 1 1072 . 1 . 1 107 107 ALA HB3 H 1 1.539 0.020 . . . . . . A 121 ALA HB3 . 34640 1 1073 . 1 . 1 107 107 ALA CA C 13 55.998 0.085 . . . . . . A 121 ALA CA . 34640 1 1074 . 1 . 1 107 107 ALA CB C 13 19.042 0.041 . . . . . . A 121 ALA CB . 34640 1 1075 . 1 . 1 107 107 ALA N N 15 119.404 0.043 . . . . . . A 121 ALA N . 34640 1 1076 . 1 . 1 108 108 LEU H H 1 8.230 0.001 . . . . . . A 122 LEU H . 34640 1 1077 . 1 . 1 108 108 LEU HA H 1 4.064 0.020 . . . . . . A 122 LEU HA . 34640 1 1078 . 1 . 1 108 108 LEU HB2 H 1 1.758 0.020 . . . . . . A 122 LEU HB2 . 34640 1 1079 . 1 . 1 108 108 LEU HB3 H 1 1.273 0.020 . . . . . . A 122 LEU HB3 . 34640 1 1080 . 1 . 1 108 108 LEU HG H 1 1.476 0.020 . . . . . . A 122 LEU HG . 34640 1 1081 . 1 . 1 108 108 LEU HD11 H 1 0.841 0.020 . . . . . . A 122 LEU HD11 . 34640 1 1082 . 1 . 1 108 108 LEU HD12 H 1 0.841 0.020 . . . . . . A 122 LEU HD12 . 34640 1 1083 . 1 . 1 108 108 LEU HD13 H 1 0.841 0.020 . . . . . . A 122 LEU HD13 . 34640 1 1084 . 1 . 1 108 108 LEU HD21 H 1 0.883 0.020 . . . . . . A 122 LEU HD21 . 34640 1 1085 . 1 . 1 108 108 LEU HD22 H 1 0.883 0.020 . . . . . . A 122 LEU HD22 . 34640 1 1086 . 1 . 1 108 108 LEU HD23 H 1 0.883 0.020 . . . . . . A 122 LEU HD23 . 34640 1 1087 . 1 . 1 108 108 LEU CA C 13 58.450 0.062 . . . . . . A 122 LEU CA . 34640 1 1088 . 1 . 1 108 108 LEU CB C 13 42.303 0.039 . . . . . . A 122 LEU CB . 34640 1 1089 . 1 . 1 108 108 LEU CG C 13 27.401 0.017 . . . . . . A 122 LEU CG . 34640 1 1090 . 1 . 1 108 108 LEU CD1 C 13 26.090 0.035 . . . . . . A 122 LEU CD1 . 34640 1 1091 . 1 . 1 108 108 LEU CD2 C 13 25.190 0.048 . . . . . . A 122 LEU CD2 . 34640 1 1092 . 1 . 1 108 108 LEU N N 15 117.573 0.020 . . . . . . A 122 LEU N . 34640 1 1093 . 1 . 1 109 109 THR H H 1 8.689 0.002 . . . . . . A 123 THR H . 34640 1 1094 . 1 . 1 109 109 THR HA H 1 3.761 0.004 . . . . . . A 123 THR HA . 34640 1 1095 . 1 . 1 109 109 THR HB H 1 4.242 0.003 . . . . . . A 123 THR HB . 34640 1 1096 . 1 . 1 109 109 THR HG21 H 1 1.215 0.003 . . . . . . A 123 THR HG21 . 34640 1 1097 . 1 . 1 109 109 THR HG22 H 1 1.215 0.003 . . . . . . A 123 THR HG22 . 34640 1 1098 . 1 . 1 109 109 THR HG23 H 1 1.215 0.003 . . . . . . A 123 THR HG23 . 34640 1 1099 . 1 . 1 109 109 THR CA C 13 67.288 0.059 . . . . . . A 123 THR CA . 34640 1 1100 . 1 . 1 109 109 THR CB C 13 68.153 0.054 . . . . . . A 123 THR CB . 34640 1 1101 . 1 . 1 109 109 THR CG2 C 13 21.392 0.011 . . . . . . A 123 THR CG2 . 34640 1 1102 . 1 . 1 109 109 THR N N 15 117.155 0.023 . . . . . . A 123 THR N . 34640 1 1103 . 1 . 1 110 110 PHE H H 1 8.849 0.003 . . . . . . A 124 PHE H . 34640 1 1104 . 1 . 1 110 110 PHE HA H 1 3.973 0.020 . . . . . . A 124 PHE HA . 34640 1 1105 . 1 . 1 110 110 PHE HB2 H 1 3.517 0.020 . . . . . . A 124 PHE HB2 . 34640 1 1106 . 1 . 1 110 110 PHE HB3 H 1 2.891 0.020 . . . . . . A 124 PHE HB3 . 34640 1 1107 . 1 . 1 110 110 PHE HD1 H 1 7.115 0.020 . . . . . . A 124 PHE HD1 . 34640 1 1108 . 1 . 1 110 110 PHE HD2 H 1 7.115 0.020 . . . . . . A 124 PHE HD2 . 34640 1 1109 . 1 . 1 110 110 PHE CA C 13 62.713 0.035 . . . . . . A 124 PHE CA . 34640 1 1110 . 1 . 1 110 110 PHE CB C 13 39.243 0.105 . . . . . . A 124 PHE CB . 34640 1 1111 . 1 . 1 110 110 PHE CD1 C 13 132.253 0.200 . . . . . . A 124 PHE CD1 . 34640 1 1112 . 1 . 1 110 110 PHE CD2 C 13 132.253 0.200 . . . . . . A 124 PHE CD2 . 34640 1 1113 . 1 . 1 110 110 PHE N N 15 124.450 0.031 . . . . . . A 124 PHE N . 34640 1 1114 . 1 . 1 111 111 LEU H H 1 8.471 0.003 . . . . . . A 125 LEU H . 34640 1 1115 . 1 . 1 111 111 LEU HA H 1 3.875 0.002 . . . . . . A 125 LEU HA . 34640 1 1116 . 1 . 1 111 111 LEU HB2 H 1 2.096 0.001 . . . . . . A 125 LEU HB2 . 34640 1 1117 . 1 . 1 111 111 LEU HB3 H 1 1.301 0.009 . . . . . . A 125 LEU HB3 . 34640 1 1118 . 1 . 1 111 111 LEU HG H 1 2.083 0.014 . . . . . . A 125 LEU HG . 34640 1 1119 . 1 . 1 111 111 LEU HD11 H 1 0.984 0.020 . . . . . . A 125 LEU HD11 . 34640 1 1120 . 1 . 1 111 111 LEU HD12 H 1 0.984 0.020 . . . . . . A 125 LEU HD12 . 34640 1 1121 . 1 . 1 111 111 LEU HD13 H 1 0.984 0.020 . . . . . . A 125 LEU HD13 . 34640 1 1122 . 1 . 1 111 111 LEU HD21 H 1 0.933 0.004 . . . . . . A 125 LEU HD21 . 34640 1 1123 . 1 . 1 111 111 LEU HD22 H 1 0.933 0.004 . . . . . . A 125 LEU HD22 . 34640 1 1124 . 1 . 1 111 111 LEU HD23 H 1 0.933 0.004 . . . . . . A 125 LEU HD23 . 34640 1 1125 . 1 . 1 111 111 LEU CA C 13 58.028 0.080 . . . . . . A 125 LEU CA . 34640 1 1126 . 1 . 1 111 111 LEU CB C 13 42.402 0.060 . . . . . . A 125 LEU CB . 34640 1 1127 . 1 . 1 111 111 LEU CG C 13 27.627 0.068 . . . . . . A 125 LEU CG . 34640 1 1128 . 1 . 1 111 111 LEU CD1 C 13 22.578 0.054 . . . . . . A 125 LEU CD1 . 34640 1 1129 . 1 . 1 111 111 LEU CD2 C 13 26.665 0.014 . . . . . . A 125 LEU CD2 . 34640 1 1130 . 1 . 1 111 111 LEU N N 15 119.118 0.021 . . . . . . A 125 LEU N . 34640 1 1131 . 1 . 1 112 112 LYS H H 1 8.378 0.006 . . . . . . A 126 LYS H . 34640 1 1132 . 1 . 1 112 112 LYS HA H 1 3.786 0.002 . . . . . . A 126 LYS HA . 34640 1 1133 . 1 . 1 112 112 LYS HB2 H 1 1.871 0.001 . . . . . . A 126 LYS HB2 . 34640 1 1134 . 1 . 1 112 112 LYS HB3 H 1 1.871 0.001 . . . . . . A 126 LYS HB3 . 34640 1 1135 . 1 . 1 112 112 LYS HG2 H 1 1.643 0.001 . . . . . . A 126 LYS HG2 . 34640 1 1136 . 1 . 1 112 112 LYS HG3 H 1 1.364 0.005 . . . . . . A 126 LYS HG3 . 34640 1 1137 . 1 . 1 112 112 LYS HD2 H 1 1.595 0.001 . . . . . . A 126 LYS HD2 . 34640 1 1138 . 1 . 1 112 112 LYS HD3 H 1 1.595 0.001 . . . . . . A 126 LYS HD3 . 34640 1 1139 . 1 . 1 112 112 LYS HE2 H 1 2.824 0.015 . . . . . . A 126 LYS HE2 . 34640 1 1140 . 1 . 1 112 112 LYS HE3 H 1 2.790 0.009 . . . . . . A 126 LYS HE3 . 34640 1 1141 . 1 . 1 112 112 LYS CA C 13 60.574 0.012 . . . . . . A 126 LYS CA . 34640 1 1142 . 1 . 1 112 112 LYS CB C 13 32.231 0.014 . . . . . . A 126 LYS CB . 34640 1 1143 . 1 . 1 112 112 LYS CG C 13 26.399 0.032 . . . . . . A 126 LYS CG . 34640 1 1144 . 1 . 1 112 112 LYS CD C 13 29.674 0.080 . . . . . . A 126 LYS CD . 34640 1 1145 . 1 . 1 112 112 LYS CE C 13 41.950 0.013 . . . . . . A 126 LYS CE . 34640 1 1146 . 1 . 1 112 112 LYS N N 15 118.832 0.032 . . . . . . A 126 LYS N . 34640 1 1147 . 1 . 1 113 113 SER H H 1 8.085 0.004 . . . . . . A 127 SER H . 34640 1 1148 . 1 . 1 113 113 SER HA H 1 4.162 0.004 . . . . . . A 127 SER HA . 34640 1 1149 . 1 . 1 113 113 SER HB2 H 1 3.972 0.002 . . . . . . A 127 SER HB2 . 34640 1 1150 . 1 . 1 113 113 SER HB3 H 1 3.972 0.002 . . . . . . A 127 SER HB3 . 34640 1 1151 . 1 . 1 113 113 SER CA C 13 62.230 0.077 . . . . . . A 127 SER CA . 34640 1 1152 . 1 . 1 113 113 SER CB C 13 62.650 0.007 . . . . . . A 127 SER CB . 34640 1 1153 . 1 . 1 113 113 SER N N 15 117.505 0.019 . . . . . . A 127 SER N . 34640 1 1154 . 1 . 1 114 114 LEU H H 1 7.796 0.004 . . . . . . A 128 LEU H . 34640 1 1155 . 1 . 1 114 114 LEU HA H 1 3.044 0.008 . . . . . . A 128 LEU HA . 34640 1 1156 . 1 . 1 114 114 LEU HB2 H 1 1.748 0.020 . . . . . . A 128 LEU HB2 . 34640 1 1157 . 1 . 1 114 114 LEU HB3 H 1 0.546 0.001 . . . . . . A 128 LEU HB3 . 34640 1 1158 . 1 . 1 114 114 LEU HD11 H 1 0.482 0.001 . . . . . . A 128 LEU HD11 . 34640 1 1159 . 1 . 1 114 114 LEU HD12 H 1 0.482 0.001 . . . . . . A 128 LEU HD12 . 34640 1 1160 . 1 . 1 114 114 LEU HD13 H 1 0.482 0.001 . . . . . . A 128 LEU HD13 . 34640 1 1161 . 1 . 1 114 114 LEU HD21 H 1 0.663 0.004 . . . . . . A 128 LEU HD21 . 34640 1 1162 . 1 . 1 114 114 LEU HD22 H 1 0.663 0.004 . . . . . . A 128 LEU HD22 . 34640 1 1163 . 1 . 1 114 114 LEU HD23 H 1 0.663 0.004 . . . . . . A 128 LEU HD23 . 34640 1 1164 . 1 . 1 114 114 LEU CA C 13 56.912 0.015 . . . . . . A 128 LEU CA . 34640 1 1165 . 1 . 1 114 114 LEU CB C 13 41.200 0.062 . . . . . . A 128 LEU CB . 34640 1 1166 . 1 . 1 114 114 LEU CD1 C 13 22.350 0.014 . . . . . . A 128 LEU CD1 . 34640 1 1167 . 1 . 1 114 114 LEU CD2 C 13 26.607 0.059 . . . . . . A 128 LEU CD2 . 34640 1 1168 . 1 . 1 114 114 LEU N N 15 123.700 0.019 . . . . . . A 128 LEU N . 34640 1 1169 . 1 . 1 115 115 LEU H H 1 8.533 0.007 . . . . . . A 129 LEU H . 34640 1 1170 . 1 . 1 115 115 LEU HA H 1 3.864 0.020 . . . . . . A 129 LEU HA . 34640 1 1171 . 1 . 1 115 115 LEU HB2 H 1 1.988 0.020 . . . . . . A 129 LEU HB2 . 34640 1 1172 . 1 . 1 115 115 LEU HB3 H 1 1.468 0.020 . . . . . . A 129 LEU HB3 . 34640 1 1173 . 1 . 1 115 115 LEU HG H 1 1.486 0.020 . . . . . . A 129 LEU HG . 34640 1 1174 . 1 . 1 115 115 LEU HD11 H 1 0.804 0.020 . . . . . . A 129 LEU HD11 . 34640 1 1175 . 1 . 1 115 115 LEU HD12 H 1 0.804 0.020 . . . . . . A 129 LEU HD12 . 34640 1 1176 . 1 . 1 115 115 LEU HD13 H 1 0.804 0.020 . . . . . . A 129 LEU HD13 . 34640 1 1177 . 1 . 1 115 115 LEU HD21 H 1 0.805 0.020 . . . . . . A 129 LEU HD21 . 34640 1 1178 . 1 . 1 115 115 LEU HD22 H 1 0.805 0.020 . . . . . . A 129 LEU HD22 . 34640 1 1179 . 1 . 1 115 115 LEU HD23 H 1 0.805 0.020 . . . . . . A 129 LEU HD23 . 34640 1 1180 . 1 . 1 115 115 LEU CA C 13 58.086 0.200 . . . . . . A 129 LEU CA . 34640 1 1181 . 1 . 1 115 115 LEU CB C 13 40.977 0.013 . . . . . . A 129 LEU CB . 34640 1 1182 . 1 . 1 115 115 LEU CG C 13 26.679 0.200 . . . . . . A 129 LEU CG . 34640 1 1183 . 1 . 1 115 115 LEU CD1 C 13 23.735 0.200 . . . . . . A 129 LEU CD1 . 34640 1 1184 . 1 . 1 115 115 LEU CD2 C 13 26.139 0.200 . . . . . . A 129 LEU CD2 . 34640 1 1185 . 1 . 1 115 115 LEU N N 15 120.059 0.028 . . . . . . A 129 LEU N . 34640 1 1186 . 1 . 1 116 116 GLU H H 1 7.526 0.002 . . . . . . A 130 GLU H . 34640 1 1187 . 1 . 1 116 116 GLU HA H 1 3.973 0.001 . . . . . . A 130 GLU HA . 34640 1 1188 . 1 . 1 116 116 GLU HB2 H 1 2.107 0.003 . . . . . . A 130 GLU HB2 . 34640 1 1189 . 1 . 1 116 116 GLU HB3 H 1 2.013 0.001 . . . . . . A 130 GLU HB3 . 34640 1 1190 . 1 . 1 116 116 GLU HG2 H 1 2.302 0.026 . . . . . . A 130 GLU HG2 . 34640 1 1191 . 1 . 1 116 116 GLU HG3 H 1 2.234 0.027 . . . . . . A 130 GLU HG3 . 34640 1 1192 . 1 . 1 116 116 GLU CA C 13 59.245 0.013 . . . . . . A 130 GLU CA . 34640 1 1193 . 1 . 1 116 116 GLU CB C 13 29.067 0.014 . . . . . . A 130 GLU CB . 34640 1 1194 . 1 . 1 116 116 GLU CG C 13 36.077 0.010 . . . . . . A 130 GLU CG . 34640 1 1195 . 1 . 1 116 116 GLU N N 15 116.297 0.008 . . . . . . A 130 GLU N . 34640 1 1196 . 1 . 1 117 117 ILE H H 1 7.312 0.002 . . . . . . A 131 ILE H . 34640 1 1197 . 1 . 1 117 117 ILE HA H 1 3.731 0.020 . . . . . . A 131 ILE HA . 34640 1 1198 . 1 . 1 117 117 ILE HB H 1 1.789 0.020 . . . . . . A 131 ILE HB . 34640 1 1199 . 1 . 1 117 117 ILE HG12 H 1 1.401 0.020 . . . . . . A 131 ILE HG12 . 34640 1 1200 . 1 . 1 117 117 ILE HG13 H 1 1.170 0.020 . . . . . . A 131 ILE HG13 . 34640 1 1201 . 1 . 1 117 117 ILE HG21 H 1 0.589 0.020 . . . . . . A 131 ILE HG21 . 34640 1 1202 . 1 . 1 117 117 ILE HG22 H 1 0.589 0.020 . . . . . . A 131 ILE HG22 . 34640 1 1203 . 1 . 1 117 117 ILE HG23 H 1 0.589 0.020 . . . . . . A 131 ILE HG23 . 34640 1 1204 . 1 . 1 117 117 ILE HD11 H 1 0.578 0.020 . . . . . . A 131 ILE HD11 . 34640 1 1205 . 1 . 1 117 117 ILE HD12 H 1 0.578 0.020 . . . . . . A 131 ILE HD12 . 34640 1 1206 . 1 . 1 117 117 ILE HD13 H 1 0.578 0.020 . . . . . . A 131 ILE HD13 . 34640 1 1207 . 1 . 1 117 117 ILE CA C 13 63.256 0.200 . . . . . . A 131 ILE CA . 34640 1 1208 . 1 . 1 117 117 ILE CB C 13 36.361 0.200 . . . . . . A 131 ILE CB . 34640 1 1209 . 1 . 1 117 117 ILE CG1 C 13 28.230 0.005 . . . . . . A 131 ILE CG1 . 34640 1 1210 . 1 . 1 117 117 ILE CG2 C 13 19.214 0.200 . . . . . . A 131 ILE CG2 . 34640 1 1211 . 1 . 1 117 117 ILE CD1 C 13 12.325 0.200 . . . . . . A 131 ILE CD1 . 34640 1 1212 . 1 . 1 117 117 ILE N N 15 117.824 0.005 . . . . . . A 131 ILE N . 34640 1 1213 . 1 . 1 118 118 PHE H H 1 7.986 0.008 . . . . . . A 132 PHE H . 34640 1 1214 . 1 . 1 118 118 PHE HA H 1 3.982 0.001 . . . . . . A 132 PHE HA . 34640 1 1215 . 1 . 1 118 118 PHE HB2 H 1 3.446 0.006 . . . . . . A 132 PHE HB2 . 34640 1 1216 . 1 . 1 118 118 PHE HB3 H 1 2.728 0.004 . . . . . . A 132 PHE HB3 . 34640 1 1217 . 1 . 1 118 118 PHE HD1 H 1 7.302 0.007 . . . . . . A 132 PHE HD1 . 34640 1 1218 . 1 . 1 118 118 PHE HD2 H 1 7.302 0.007 . . . . . . A 132 PHE HD2 . 34640 1 1219 . 1 . 1 118 118 PHE HE1 H 1 6.989 0.020 . . . . . . A 132 PHE HE1 . 34640 1 1220 . 1 . 1 118 118 PHE HE2 H 1 6.989 0.020 . . . . . . A 132 PHE HE2 . 34640 1 1221 . 1 . 1 118 118 PHE CA C 13 63.740 0.031 . . . . . . A 132 PHE CA . 34640 1 1222 . 1 . 1 118 118 PHE CB C 13 40.001 0.067 . . . . . . A 132 PHE CB . 34640 1 1223 . 1 . 1 118 118 PHE CD1 C 13 131.464 0.133 . . . . . . A 132 PHE CD1 . 34640 1 1224 . 1 . 1 118 118 PHE CD2 C 13 131.464 0.133 . . . . . . A 132 PHE CD2 . 34640 1 1225 . 1 . 1 118 118 PHE CE1 C 13 131.482 0.200 . . . . . . A 132 PHE CE1 . 34640 1 1226 . 1 . 1 118 118 PHE CE2 C 13 131.482 0.200 . . . . . . A 132 PHE CE2 . 34640 1 1227 . 1 . 1 118 118 PHE N N 15 121.439 0.029 . . . . . . A 132 PHE N . 34640 1 1228 . 1 . 1 119 119 GLN H H 1 8.374 0.002 . . . . . . A 133 GLN H . 34640 1 1229 . 1 . 1 119 119 GLN HA H 1 4.053 0.001 . . . . . . A 133 GLN HA . 34640 1 1230 . 1 . 1 119 119 GLN HB2 H 1 2.150 0.002 . . . . . . A 133 GLN HB2 . 34640 1 1231 . 1 . 1 119 119 GLN HB3 H 1 2.008 0.001 . . . . . . A 133 GLN HB3 . 34640 1 1232 . 1 . 1 119 119 GLN HG2 H 1 2.456 0.002 . . . . . . A 133 GLN HG2 . 34640 1 1233 . 1 . 1 119 119 GLN HG3 H 1 2.283 0.002 . . . . . . A 133 GLN HG3 . 34640 1 1234 . 1 . 1 119 119 GLN HE21 H 1 6.797 0.001 . . . . . . A 133 GLN HE21 . 34640 1 1235 . 1 . 1 119 119 GLN HE22 H 1 6.708 0.003 . . . . . . A 133 GLN HE22 . 34640 1 1236 . 1 . 1 119 119 GLN CA C 13 58.895 0.063 . . . . . . A 133 GLN CA . 34640 1 1237 . 1 . 1 119 119 GLN CB C 13 27.612 0.050 . . . . . . A 133 GLN CB . 34640 1 1238 . 1 . 1 119 119 GLN CG C 13 33.331 0.019 . . . . . . A 133 GLN CG . 34640 1 1239 . 1 . 1 119 119 GLN N N 15 116.439 0.012 . . . . . . A 133 GLN N . 34640 1 1240 . 1 . 1 119 119 GLN NE2 N 15 108.890 0.023 . . . . . . A 133 GLN NE2 . 34640 1 1241 . 1 . 1 120 120 LYS H H 1 8.060 0.004 . . . . . . A 134 LYS H . 34640 1 1242 . 1 . 1 120 120 LYS HA H 1 3.726 0.001 . . . . . . A 134 LYS HA . 34640 1 1243 . 1 . 1 120 120 LYS HB2 H 1 1.143 0.004 . . . . . . A 134 LYS HB2 . 34640 1 1244 . 1 . 1 120 120 LYS HB3 H 1 0.800 0.020 . . . . . . A 134 LYS HB3 . 34640 1 1245 . 1 . 1 120 120 LYS HG2 H 1 1.492 0.003 . . . . . . A 134 LYS HG2 . 34640 1 1246 . 1 . 1 120 120 LYS HG3 H 1 1.111 0.009 . . . . . . A 134 LYS HG3 . 34640 1 1247 . 1 . 1 120 120 LYS HD2 H 1 1.396 0.003 . . . . . . A 134 LYS HD2 . 34640 1 1248 . 1 . 1 120 120 LYS HD3 H 1 1.268 0.009 . . . . . . A 134 LYS HD3 . 34640 1 1249 . 1 . 1 120 120 LYS HE2 H 1 2.764 0.004 . . . . . . A 134 LYS HE2 . 34640 1 1250 . 1 . 1 120 120 LYS HE3 H 1 2.764 0.004 . . . . . . A 134 LYS HE3 . 34640 1 1251 . 1 . 1 120 120 LYS CA C 13 60.092 0.046 . . . . . . A 134 LYS CA . 34640 1 1252 . 1 . 1 120 120 LYS CB C 13 31.377 0.038 . . . . . . A 134 LYS CB . 34640 1 1253 . 1 . 1 120 120 LYS CG C 13 26.199 0.068 . . . . . . A 134 LYS CG . 34640 1 1254 . 1 . 1 120 120 LYS CD C 13 29.760 0.064 . . . . . . A 134 LYS CD . 34640 1 1255 . 1 . 1 120 120 LYS CE C 13 42.234 0.025 . . . . . . A 134 LYS CE . 34640 1 1256 . 1 . 1 120 120 LYS N N 15 120.647 0.018 . . . . . . A 134 LYS N . 34640 1 1257 . 1 . 1 121 121 GLU H H 1 7.847 0.008 . . . . . . A 135 GLU H . 34640 1 1258 . 1 . 1 121 121 GLU HA H 1 4.173 0.020 . . . . . . A 135 GLU HA . 34640 1 1259 . 1 . 1 121 121 GLU HB2 H 1 2.205 0.020 . . . . . . A 135 GLU HB2 . 34640 1 1260 . 1 . 1 121 121 GLU HB3 H 1 2.418 0.020 . . . . . . A 135 GLU HB3 . 34640 1 1261 . 1 . 1 121 121 GLU HG2 H 1 2.154 0.020 . . . . . . A 135 GLU HG2 . 34640 1 1262 . 1 . 1 121 121 GLU HG3 H 1 2.154 0.020 . . . . . . A 135 GLU HG3 . 34640 1 1263 . 1 . 1 121 121 GLU CA C 13 58.900 0.036 . . . . . . A 135 GLU CA . 34640 1 1264 . 1 . 1 121 121 GLU CB C 13 30.778 0.148 . . . . . . A 135 GLU CB . 34640 1 1265 . 1 . 1 121 121 GLU CG C 13 36.811 0.004 . . . . . . A 135 GLU CG . 34640 1 1266 . 1 . 1 121 121 GLU N N 15 121.596 0.046 . . . . . . A 135 GLU N . 34640 1 1267 . 1 . 1 122 122 LYS H H 1 8.616 0.002 . . . . . . A 136 LYS H . 34640 1 1268 . 1 . 1 122 122 LYS HA H 1 4.016 0.020 . . . . . . A 136 LYS HA . 34640 1 1269 . 1 . 1 122 122 LYS HB2 H 1 1.958 0.020 . . . . . . A 136 LYS HB2 . 34640 1 1270 . 1 . 1 122 122 LYS HB3 H 1 2.103 0.009 . . . . . . A 136 LYS HB3 . 34640 1 1271 . 1 . 1 122 122 LYS HG2 H 1 1.397 0.020 . . . . . . A 136 LYS HG2 . 34640 1 1272 . 1 . 1 122 122 LYS HG3 H 1 1.124 0.020 . . . . . . A 136 LYS HG3 . 34640 1 1273 . 1 . 1 122 122 LYS HD2 H 1 1.613 0.020 . . . . . . A 136 LYS HD2 . 34640 1 1274 . 1 . 1 122 122 LYS HD3 H 1 1.480 0.020 . . . . . . A 136 LYS HD3 . 34640 1 1275 . 1 . 1 122 122 LYS HE2 H 1 2.886 0.020 . . . . . . A 136 LYS HE2 . 34640 1 1276 . 1 . 1 122 122 LYS HE3 H 1 2.886 0.020 . . . . . . A 136 LYS HE3 . 34640 1 1277 . 1 . 1 122 122 LYS CA C 13 59.385 0.026 . . . . . . A 136 LYS CA . 34640 1 1278 . 1 . 1 122 122 LYS CB C 13 32.263 0.172 . . . . . . A 136 LYS CB . 34640 1 1279 . 1 . 1 122 122 LYS CG C 13 24.649 0.047 . . . . . . A 136 LYS CG . 34640 1 1280 . 1 . 1 122 122 LYS CD C 13 29.669 0.030 . . . . . . A 136 LYS CD . 34640 1 1281 . 1 . 1 122 122 LYS CE C 13 42.391 0.013 . . . . . . A 136 LYS CE . 34640 1 1282 . 1 . 1 122 122 LYS N N 15 121.933 0.032 . . . . . . A 136 LYS N . 34640 1 1283 . 1 . 1 123 123 MET H H 1 8.117 0.003 . . . . . . A 137 MET H . 34640 1 1284 . 1 . 1 123 123 MET HA H 1 4.262 0.002 . . . . . . A 137 MET HA . 34640 1 1285 . 1 . 1 123 123 MET HB2 H 1 2.091 0.001 . . . . . . A 137 MET HB2 . 34640 1 1286 . 1 . 1 123 123 MET HB3 H 1 2.091 0.001 . . . . . . A 137 MET HB3 . 34640 1 1287 . 1 . 1 123 123 MET HG2 H 1 2.660 0.001 . . . . . . A 137 MET HG2 . 34640 1 1288 . 1 . 1 123 123 MET HG3 H 1 2.660 0.001 . . . . . . A 137 MET HG3 . 34640 1 1289 . 1 . 1 123 123 MET HE1 H 1 2.010 0.020 . . . . . . A 137 MET HE1 . 34640 1 1290 . 1 . 1 123 123 MET HE2 H 1 2.010 0.020 . . . . . . A 137 MET HE2 . 34640 1 1291 . 1 . 1 123 123 MET HE3 H 1 2.010 0.020 . . . . . . A 137 MET HE3 . 34640 1 1292 . 1 . 1 123 123 MET CA C 13 57.100 0.009 . . . . . . A 137 MET CA . 34640 1 1293 . 1 . 1 123 123 MET CB C 13 31.898 0.032 . . . . . . A 137 MET CB . 34640 1 1294 . 1 . 1 123 123 MET CG C 13 32.206 0.015 . . . . . . A 137 MET CG . 34640 1 1295 . 1 . 1 123 123 MET CE C 13 16.689 0.200 . . . . . . A 137 MET CE . 34640 1 1296 . 1 . 1 123 123 MET N N 15 116.322 0.029 . . . . . . A 137 MET N . 34640 1 1297 . 1 . 1 124 124 ARG H H 1 7.950 0.002 . . . . . . A 138 ARG H . 34640 1 1298 . 1 . 1 124 124 ARG HA H 1 4.093 0.020 . . . . . . A 138 ARG HA . 34640 1 1299 . 1 . 1 124 124 ARG HB2 H 1 2.196 0.004 . . . . . . A 138 ARG HB2 . 34640 1 1300 . 1 . 1 124 124 ARG HB3 H 1 2.051 0.010 . . . . . . A 138 ARG HB3 . 34640 1 1301 . 1 . 1 124 124 ARG HG2 H 1 1.792 0.003 . . . . . . A 138 ARG HG2 . 34640 1 1302 . 1 . 1 124 124 ARG HG3 H 1 1.640 0.001 . . . . . . A 138 ARG HG3 . 34640 1 1303 . 1 . 1 124 124 ARG HD2 H 1 3.406 0.020 . . . . . . A 138 ARG HD2 . 34640 1 1304 . 1 . 1 124 124 ARG HD3 H 1 3.155 0.039 . . . . . . A 138 ARG HD3 . 34640 1 1305 . 1 . 1 124 124 ARG CA C 13 58.926 0.013 . . . . . . A 138 ARG CA . 34640 1 1306 . 1 . 1 124 124 ARG CB C 13 30.237 0.077 . . . . . . A 138 ARG CB . 34640 1 1307 . 1 . 1 124 124 ARG CG C 13 27.380 0.071 . . . . . . A 138 ARG CG . 34640 1 1308 . 1 . 1 124 124 ARG CD C 13 43.261 0.212 . . . . . . A 138 ARG CD . 34640 1 1309 . 1 . 1 124 124 ARG N N 15 121.750 0.039 . . . . . . A 138 ARG N . 34640 1 1310 . 1 . 1 125 125 GLY H H 1 8.048 0.003 . . . . . . A 139 GLY H . 34640 1 1311 . 1 . 1 125 125 GLY HA2 H 1 3.918 0.004 . . . . . . A 139 GLY HA2 . 34640 1 1312 . 1 . 1 125 125 GLY HA3 H 1 3.968 0.008 . . . . . . A 139 GLY HA3 . 34640 1 1313 . 1 . 1 125 125 GLY CA C 13 46.051 0.028 . . . . . . A 139 GLY CA . 34640 1 1314 . 1 . 1 125 125 GLY N N 15 106.297 0.035 . . . . . . A 139 GLY N . 34640 1 1315 . 1 . 1 126 126 MET H H 1 7.731 0.001 . . . . . . A 140 MET H . 34640 1 1316 . 1 . 1 126 126 MET HA H 1 4.398 0.020 . . . . . . A 140 MET HA . 34640 1 1317 . 1 . 1 126 126 MET HB2 H 1 2.152 0.003 . . . . . . A 140 MET HB2 . 34640 1 1318 . 1 . 1 126 126 MET HB3 H 1 2.058 0.001 . . . . . . A 140 MET HB3 . 34640 1 1319 . 1 . 1 126 126 MET HG2 H 1 2.655 0.003 . . . . . . A 140 MET HG2 . 34640 1 1320 . 1 . 1 126 126 MET HG3 H 1 2.542 0.003 . . . . . . A 140 MET HG3 . 34640 1 1321 . 1 . 1 126 126 MET HE1 H 1 2.038 0.020 . . . . . . A 140 MET HE1 . 34640 1 1322 . 1 . 1 126 126 MET HE2 H 1 2.038 0.020 . . . . . . A 140 MET HE2 . 34640 1 1323 . 1 . 1 126 126 MET HE3 H 1 2.038 0.020 . . . . . . A 140 MET HE3 . 34640 1 1324 . 1 . 1 126 126 MET CA C 13 56.139 0.070 . . . . . . A 140 MET CA . 34640 1 1325 . 1 . 1 126 126 MET CB C 13 32.933 0.058 . . . . . . A 140 MET CB . 34640 1 1326 . 1 . 1 126 126 MET CG C 13 32.025 0.038 . . . . . . A 140 MET CG . 34640 1 1327 . 1 . 1 126 126 MET CE C 13 16.849 0.200 . . . . . . A 140 MET CE . 34640 1 1328 . 1 . 1 126 126 MET N N 15 118.964 0.009 . . . . . . A 140 MET N . 34640 1 1329 . 1 . 1 127 127 ARG H H 1 7.987 0.001 . . . . . . A 141 ARG H . 34640 1 1330 . 1 . 1 127 127 ARG HA H 1 4.258 0.001 . . . . . . A 141 ARG HA . 34640 1 1331 . 1 . 1 127 127 ARG HB2 H 1 1.872 0.001 . . . . . . A 141 ARG HB2 . 34640 1 1332 . 1 . 1 127 127 ARG HB3 H 1 1.820 0.009 . . . . . . A 141 ARG HB3 . 34640 1 1333 . 1 . 1 127 127 ARG HG2 H 1 1.681 0.009 . . . . . . A 141 ARG HG2 . 34640 1 1334 . 1 . 1 127 127 ARG HG3 H 1 1.627 0.009 . . . . . . A 141 ARG HG3 . 34640 1 1335 . 1 . 1 127 127 ARG HD2 H 1 3.169 0.002 . . . . . . A 141 ARG HD2 . 34640 1 1336 . 1 . 1 127 127 ARG HD3 H 1 3.169 0.002 . . . . . . A 141 ARG HD3 . 34640 1 1337 . 1 . 1 127 127 ARG CA C 13 56.736 0.042 . . . . . . A 141 ARG CA . 34640 1 1338 . 1 . 1 127 127 ARG CB C 13 30.623 0.023 . . . . . . A 141 ARG CB . 34640 1 1339 . 1 . 1 127 127 ARG CG C 13 27.217 0.059 . . . . . . A 141 ARG CG . 34640 1 1340 . 1 . 1 127 127 ARG CD C 13 43.463 0.042 . . . . . . A 141 ARG CD . 34640 1 1341 . 1 . 1 127 127 ARG N N 15 120.166 0.007 . . . . . . A 141 ARG N . 34640 1 1342 . 1 . 1 128 128 GLY H H 1 8.248 0.002 . . . . . . A 142 GLY H . 34640 1 1343 . 1 . 1 128 128 GLY HA2 H 1 3.906 0.020 . . . . . . A 142 GLY HA2 . 34640 1 1344 . 1 . 1 128 128 GLY HA3 H 1 3.906 0.020 . . . . . . A 142 GLY HA3 . 34640 1 1345 . 1 . 1 128 128 GLY CA C 13 45.299 0.009 . . . . . . A 142 GLY CA . 34640 1 1346 . 1 . 1 128 128 GLY N N 15 109.314 0.016 . . . . . . A 142 GLY N . 34640 1 1347 . 1 . 1 129 129 LYS H H 1 8.010 0.001 . . . . . . A 143 LYS H . 34640 1 1348 . 1 . 1 129 129 LYS HA H 1 4.309 0.001 . . . . . . A 143 LYS HA . 34640 1 1349 . 1 . 1 129 129 LYS HB2 H 1 1.797 0.020 . . . . . . A 143 LYS HB2 . 34640 1 1350 . 1 . 1 129 129 LYS HB3 H 1 1.695 0.004 . . . . . . A 143 LYS HB3 . 34640 1 1351 . 1 . 1 129 129 LYS HG2 H 1 1.349 0.001 . . . . . . A 143 LYS HG2 . 34640 1 1352 . 1 . 1 129 129 LYS HG3 H 1 1.349 0.001 . . . . . . A 143 LYS HG3 . 34640 1 1353 . 1 . 1 129 129 LYS HD2 H 1 1.612 0.020 . . . . . . A 143 LYS HD2 . 34640 1 1354 . 1 . 1 129 129 LYS HD3 H 1 1.612 0.020 . . . . . . A 143 LYS HD3 . 34640 1 1355 . 1 . 1 129 129 LYS HE2 H 1 2.932 0.020 . . . . . . A 143 LYS HE2 . 34640 1 1356 . 1 . 1 129 129 LYS HE3 H 1 2.932 0.020 . . . . . . A 143 LYS HE3 . 34640 1 1357 . 1 . 1 129 129 LYS CA C 13 56.267 0.010 . . . . . . A 143 LYS CA . 34640 1 1358 . 1 . 1 129 129 LYS CB C 13 33.164 0.027 . . . . . . A 143 LYS CB . 34640 1 1359 . 1 . 1 129 129 LYS CG C 13 24.573 0.033 . . . . . . A 143 LYS CG . 34640 1 1360 . 1 . 1 129 129 LYS CD C 13 29.057 0.031 . . . . . . A 143 LYS CD . 34640 1 1361 . 1 . 1 129 129 LYS CE C 13 42.187 0.100 . . . . . . A 143 LYS CE . 34640 1 1362 . 1 . 1 129 129 LYS N N 15 120.993 0.005 . . . . . . A 143 LYS N . 34640 1 1363 . 1 . 1 130 130 ILE H H 1 7.676 0.001 . . . . . . A 144 ILE H . 34640 1 1364 . 1 . 1 130 130 ILE HA H 1 4.011 0.020 . . . . . . A 144 ILE HA . 34640 1 1365 . 1 . 1 130 130 ILE HB H 1 1.744 0.020 . . . . . . A 144 ILE HB . 34640 1 1366 . 1 . 1 130 130 ILE HG12 H 1 1.345 0.020 . . . . . . A 144 ILE HG12 . 34640 1 1367 . 1 . 1 130 130 ILE HG13 H 1 1.059 0.020 . . . . . . A 144 ILE HG13 . 34640 1 1368 . 1 . 1 130 130 ILE HG21 H 1 0.806 0.020 . . . . . . A 144 ILE HG21 . 34640 1 1369 . 1 . 1 130 130 ILE HG22 H 1 0.806 0.020 . . . . . . A 144 ILE HG22 . 34640 1 1370 . 1 . 1 130 130 ILE HG23 H 1 0.806 0.020 . . . . . . A 144 ILE HG23 . 34640 1 1371 . 1 . 1 130 130 ILE HD11 H 1 0.774 0.004 . . . . . . A 144 ILE HD11 . 34640 1 1372 . 1 . 1 130 130 ILE HD12 H 1 0.774 0.004 . . . . . . A 144 ILE HD12 . 34640 1 1373 . 1 . 1 130 130 ILE HD13 H 1 0.774 0.004 . . . . . . A 144 ILE HD13 . 34640 1 1374 . 1 . 1 130 130 ILE CA C 13 62.904 0.200 . . . . . . A 144 ILE CA . 34640 1 1375 . 1 . 1 130 130 ILE CB C 13 39.614 0.200 . . . . . . A 144 ILE CB . 34640 1 1376 . 1 . 1 130 130 ILE CG1 C 13 27.278 0.027 . . . . . . A 144 ILE CG1 . 34640 1 1377 . 1 . 1 130 130 ILE CG2 C 13 18.018 0.019 . . . . . . A 144 ILE CG2 . 34640 1 1378 . 1 . 1 130 130 ILE CD1 C 13 13.450 0.081 . . . . . . A 144 ILE CD1 . 34640 1 1379 . 1 . 1 130 130 ILE N N 15 126.283 0.007 . . . . . . A 144 ILE N . 34640 1 stop_ save_