data_34736 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34736 _Entry.Title ; Human Interleukin-4 mutant - C3T-IL4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-11 _Entry.Accession_date 2022-06-11 _Entry.Last_release_date 2022-07-05 _Entry.Original_release_date 2022-07-05 _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 D. Vaz D. C. . . 34736 2 J. Rodrigues J. R. . . 34736 3 T. Mueller T. D. . . 34736 4 W. Sebald W. . . . 34736 5 C. Redfield C. . . . 34736 6 R. Brito R. M.M. . . 34736 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '4-helix bundle' . 34736 'Backbone dynamics' . 34736 C3T . 34736 IL-4 . 34736 Interleukin-4 . 34736 'Molecular dynamics' . 34736 cytokine . 34736 'disulphide mutant' . 34736 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34736 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 124 34736 '1H chemical shifts' 741 34736 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 . . 2023-10-16 . original BMRB . 34736 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8A4F 'BMRB Entry Tracking System' 34736 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34736 _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 ; RDC-refined NMR solution structure of IL-4 (pH 2.4) ; _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 D. Vaz D. C. . . 34736 1 2 J. Rodrigues J. R. . . 34736 1 3 T. Mueller T. D. . . 34736 1 4 W. Sebald W. . . . 34736 1 5 C. Redfield C. . . . 34736 1 6 R. Brito R. M.M. . . 34736 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34736 _Assembly.ID 1 _Assembly.Name Interleukin-4 _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 . . . . . . 34736 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 24 24 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . . . 34736 1 2 disulfide single . 1 . 1 CYS 46 46 SG . 1 . 1 CYS 99 99 SG . . . . . . . . . . . . 34736 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34736 _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 ; HKTDITLQEIIKTLNSLTEQ KTLCTELTVTDIFAASKNTT EKETFCRAATVLRQFYSHHE KDTRCLGATAQQFHRHKQLI RFLKRLDRNLWGLAGLNSCP VKEANQSTLENFLERLKTIM REKYSKCSS ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C3T _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14987.209 _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 'B-cell stimulatory factor 1' common 34736 1 BSF-1 common 34736 1 Binetrakin common 34736 1 IL-4 common 34736 1 'Lymphocyte stimulatory factor 1' common 34736 1 Pitrakinra common 34736 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 . HIS . 34736 1 2 . LYS . 34736 1 3 . THR . 34736 1 4 . ASP . 34736 1 5 . ILE . 34736 1 6 . THR . 34736 1 7 . LEU . 34736 1 8 . GLN . 34736 1 9 . GLU . 34736 1 10 . ILE . 34736 1 11 . ILE . 34736 1 12 . LYS . 34736 1 13 . THR . 34736 1 14 . LEU . 34736 1 15 . ASN . 34736 1 16 . SER . 34736 1 17 . LEU . 34736 1 18 . THR . 34736 1 19 . GLU . 34736 1 20 . GLN . 34736 1 21 . LYS . 34736 1 22 . THR . 34736 1 23 . LEU . 34736 1 24 . CYS . 34736 1 25 . THR . 34736 1 26 . GLU . 34736 1 27 . LEU . 34736 1 28 . THR . 34736 1 29 . VAL . 34736 1 30 . THR . 34736 1 31 . ASP . 34736 1 32 . ILE . 34736 1 33 . PHE . 34736 1 34 . ALA . 34736 1 35 . ALA . 34736 1 36 . SER . 34736 1 37 . LYS . 34736 1 38 . ASN . 34736 1 39 . THR . 34736 1 40 . THR . 34736 1 41 . GLU . 34736 1 42 . LYS . 34736 1 43 . GLU . 34736 1 44 . THR . 34736 1 45 . PHE . 34736 1 46 . CYS . 34736 1 47 . ARG . 34736 1 48 . ALA . 34736 1 49 . ALA . 34736 1 50 . THR . 34736 1 51 . VAL . 34736 1 52 . LEU . 34736 1 53 . ARG . 34736 1 54 . GLN . 34736 1 55 . PHE . 34736 1 56 . TYR . 34736 1 57 . SER . 34736 1 58 . HIS . 34736 1 59 . HIS . 34736 1 60 . GLU . 34736 1 61 . LYS . 34736 1 62 . ASP . 34736 1 63 . THR . 34736 1 64 . ARG . 34736 1 65 . CYS . 34736 1 66 . LEU . 34736 1 67 . GLY . 34736 1 68 . ALA . 34736 1 69 . THR . 34736 1 70 . ALA . 34736 1 71 . GLN . 34736 1 72 . GLN . 34736 1 73 . PHE . 34736 1 74 . HIS . 34736 1 75 . ARG . 34736 1 76 . HIS . 34736 1 77 . LYS . 34736 1 78 . GLN . 34736 1 79 . LEU . 34736 1 80 . ILE . 34736 1 81 . ARG . 34736 1 82 . PHE . 34736 1 83 . LEU . 34736 1 84 . LYS . 34736 1 85 . ARG . 34736 1 86 . LEU . 34736 1 87 . ASP . 34736 1 88 . ARG . 34736 1 89 . ASN . 34736 1 90 . LEU . 34736 1 91 . TRP . 34736 1 92 . GLY . 34736 1 93 . LEU . 34736 1 94 . ALA . 34736 1 95 . GLY . 34736 1 96 . LEU . 34736 1 97 . ASN . 34736 1 98 . SER . 34736 1 99 . CYS . 34736 1 100 . PRO . 34736 1 101 . VAL . 34736 1 102 . LYS . 34736 1 103 . GLU . 34736 1 104 . ALA . 34736 1 105 . ASN . 34736 1 106 . GLN . 34736 1 107 . SER . 34736 1 108 . THR . 34736 1 109 . LEU . 34736 1 110 . GLU . 34736 1 111 . ASN . 34736 1 112 . PHE . 34736 1 113 . LEU . 34736 1 114 . GLU . 34736 1 115 . ARG . 34736 1 116 . LEU . 34736 1 117 . LYS . 34736 1 118 . THR . 34736 1 119 . ILE . 34736 1 120 . MET . 34736 1 121 . ARG . 34736 1 122 . GLU . 34736 1 123 . LYS . 34736 1 124 . TYR . 34736 1 125 . SER . 34736 1 126 . LYS . 34736 1 127 . CYS . 34736 1 128 . SER . 34736 1 129 . SER . 34736 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 . HIS 1 1 34736 1 . LYS 2 2 34736 1 . THR 3 3 34736 1 . ASP 4 4 34736 1 . ILE 5 5 34736 1 . THR 6 6 34736 1 . LEU 7 7 34736 1 . GLN 8 8 34736 1 . GLU 9 9 34736 1 . ILE 10 10 34736 1 . ILE 11 11 34736 1 . LYS 12 12 34736 1 . THR 13 13 34736 1 . LEU 14 14 34736 1 . ASN 15 15 34736 1 . SER 16 16 34736 1 . LEU 17 17 34736 1 . THR 18 18 34736 1 . GLU 19 19 34736 1 . GLN 20 20 34736 1 . LYS 21 21 34736 1 . THR 22 22 34736 1 . LEU 23 23 34736 1 . CYS 24 24 34736 1 . THR 25 25 34736 1 . GLU 26 26 34736 1 . LEU 27 27 34736 1 . THR 28 28 34736 1 . VAL 29 29 34736 1 . THR 30 30 34736 1 . ASP 31 31 34736 1 . ILE 32 32 34736 1 . PHE 33 33 34736 1 . ALA 34 34 34736 1 . ALA 35 35 34736 1 . SER 36 36 34736 1 . LYS 37 37 34736 1 . ASN 38 38 34736 1 . THR 39 39 34736 1 . THR 40 40 34736 1 . GLU 41 41 34736 1 . LYS 42 42 34736 1 . GLU 43 43 34736 1 . THR 44 44 34736 1 . PHE 45 45 34736 1 . CYS 46 46 34736 1 . ARG 47 47 34736 1 . ALA 48 48 34736 1 . ALA 49 49 34736 1 . THR 50 50 34736 1 . VAL 51 51 34736 1 . LEU 52 52 34736 1 . ARG 53 53 34736 1 . GLN 54 54 34736 1 . PHE 55 55 34736 1 . TYR 56 56 34736 1 . SER 57 57 34736 1 . HIS 58 58 34736 1 . HIS 59 59 34736 1 . GLU 60 60 34736 1 . LYS 61 61 34736 1 . ASP 62 62 34736 1 . THR 63 63 34736 1 . ARG 64 64 34736 1 . CYS 65 65 34736 1 . LEU 66 66 34736 1 . GLY 67 67 34736 1 . ALA 68 68 34736 1 . THR 69 69 34736 1 . ALA 70 70 34736 1 . GLN 71 71 34736 1 . GLN 72 72 34736 1 . PHE 73 73 34736 1 . HIS 74 74 34736 1 . ARG 75 75 34736 1 . HIS 76 76 34736 1 . LYS 77 77 34736 1 . GLN 78 78 34736 1 . LEU 79 79 34736 1 . ILE 80 80 34736 1 . ARG 81 81 34736 1 . PHE 82 82 34736 1 . LEU 83 83 34736 1 . LYS 84 84 34736 1 . ARG 85 85 34736 1 . LEU 86 86 34736 1 . ASP 87 87 34736 1 . ARG 88 88 34736 1 . ASN 89 89 34736 1 . LEU 90 90 34736 1 . TRP 91 91 34736 1 . GLY 92 92 34736 1 . LEU 93 93 34736 1 . ALA 94 94 34736 1 . GLY 95 95 34736 1 . LEU 96 96 34736 1 . ASN 97 97 34736 1 . SER 98 98 34736 1 . CYS 99 99 34736 1 . PRO 100 100 34736 1 . VAL 101 101 34736 1 . LYS 102 102 34736 1 . GLU 103 103 34736 1 . ALA 104 104 34736 1 . ASN 105 105 34736 1 . GLN 106 106 34736 1 . SER 107 107 34736 1 . THR 108 108 34736 1 . LEU 109 109 34736 1 . GLU 110 110 34736 1 . ASN 111 111 34736 1 . PHE 112 112 34736 1 . LEU 113 113 34736 1 . GLU 114 114 34736 1 . ARG 115 115 34736 1 . LEU 116 116 34736 1 . LYS 117 117 34736 1 . THR 118 118 34736 1 . ILE 119 119 34736 1 . MET 120 120 34736 1 . ARG 121 121 34736 1 . GLU 122 122 34736 1 . LYS 123 123 34736 1 . TYR 124 124 34736 1 . SER 125 125 34736 1 . LYS 126 126 34736 1 . CYS 127 127 34736 1 . SER 128 128 34736 1 . SER 129 129 34736 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 34736 _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 . . . . . . . . . . . IL4 . 34736 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 34736 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34736 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34736 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 mM [U-100% 15N] Interleukin-4 mutant, C3T-IL4, 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-4 mutant, C3T-IL4' '[U-100% 15N]' . . 1 $entity_1 . . 1.5 . . mM 0.1 . . . 34736 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 34736 _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' 25 0.1 mM 34736 1 pH 5.0 0.01 pH 34736 1 pressure 1 0.01 atm 34736 1 temperature 298 0.1 K 34736 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34736 _Software.ID 1 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 34736 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34736 1 'peak picking' . 34736 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34736 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34736 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34736 2 'structure calculation' . 34736 2 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 34736 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Oxford instruments' _NMR_spectrometer.Model Home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34736 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Oxford instruments' _NMR_spectrometer.Model Home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34736 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Oxford instruments' _NMR_spectrometer.Model Home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 34736 _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 'Oxford instruments' Home-built . 600 . . . 34736 1 2 NMR_spectrometer_2 'Oxford instruments' Home-built . 750 . . . 34736 1 3 NMR_spectrometer_3 'Oxford instruments' Home-built . 500 . . . 34736 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 34736 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34736 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34736 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34736 1 4 '2D HMQC-J' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34736 1 5 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34736 1 6 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34736 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 34736 _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 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34736 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34736 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 34736 _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 '2D 1H-15N HSQC' . . . 34736 1 2 '3D 1H-15N NOESY' . . . 34736 1 3 '3D 1H-15N TOCSY' . . . 34736 1 4 '2D HMQC-J' . . . 34736 1 5 '2D 1H-15N HSQC IPAP' . . . 34736 1 6 '2D 1H-15N HSQC IPAP' . . . 34736 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 2 2 LYS H H 1 8.680 0.02 . 1 . . . . A 2 LYS H . 34736 1 2 . 1 . 1 2 2 LYS HA H 1 4.270 0.02 . 1 . . . . A 2 LYS HA . 34736 1 3 . 1 . 1 2 2 LYS HB2 H 1 1.820 0.02 . 2 . . . . A 2 LYS HB2 . 34736 1 4 . 1 . 1 2 2 LYS HB3 H 1 1.820 0.02 . 2 . . . . A 2 LYS HB3 . 34736 1 5 . 1 . 1 2 2 LYS HG2 H 1 1.410 0.02 . 2 . . . . A 2 LYS HG2 . 34736 1 6 . 1 . 1 2 2 LYS HG3 H 1 1.410 0.02 . 2 . . . . A 2 LYS HG3 . 34736 1 7 . 1 . 1 2 2 LYS N N 15 124.200 0.30 . 1 . . . . A 2 LYS N . 34736 1 8 . 1 . 1 3 3 THR H H 1 8.320 0.02 . 1 . . . . A 3 THR H . 34736 1 9 . 1 . 1 3 3 THR HA H 1 4.320 0.02 . 1 . . . . A 3 THR HA . 34736 1 10 . 1 . 1 3 3 THR HB H 1 4.210 0.02 . 1 . . . . A 3 THR HB . 34736 1 11 . 1 . 1 3 3 THR HG21 H 1 1.210 0.02 . 1 . . . . A 3 THR HG1 . 34736 1 12 . 1 . 1 3 3 THR HG22 H 1 1.210 0.02 . 1 . . . . A 3 THR HG1 . 34736 1 13 . 1 . 1 3 3 THR HG23 H 1 1.210 0.02 . 1 . . . . A 3 THR HG1 . 34736 1 14 . 1 . 1 3 3 THR N N 15 115.800 0.30 . 1 . . . . A 3 THR N . 34736 1 15 . 1 . 1 4 4 ASP H H 1 8.280 0.02 . 1 . . . . A 4 ASP H . 34736 1 16 . 1 . 1 4 4 ASP HA H 1 4.210 0.02 . 1 . . . . A 4 ASP HA . 34736 1 17 . 1 . 1 4 4 ASP HB2 H 1 2.750 0.02 . 2 . . . . A 4 ASP HB2 . 34736 1 18 . 1 . 1 4 4 ASP HB3 H 1 2.820 0.02 . 2 . . . . A 4 ASP HB3 . 34736 1 19 . 1 . 1 4 4 ASP N N 15 124.900 0.30 . 1 . . . . A 4 ASP N . 34736 1 20 . 1 . 1 5 5 ILE H H 1 8.060 0.02 . 1 . . . . A 5 ILE H . 34736 1 21 . 1 . 1 5 5 ILE HA H 1 3.990 0.02 . 1 . . . . A 5 ILE HA . 34736 1 22 . 1 . 1 5 5 ILE HB H 1 1.980 0.02 . 2 . . . . A 5 ILE HB . 34736 1 23 . 1 . 1 5 5 ILE HG12 H 1 1.530 0.02 . 2 . . . . A 5 ILE HG12 . 34736 1 24 . 1 . 1 5 5 ILE HG13 H 1 1.350 0.02 . 2 . . . . A 5 ILE HG13 . 34736 1 25 . 1 . 1 5 5 ILE HG21 H 1 0.920 0.02 . 1 . . . . A 5 ILE HG21 . 34736 1 26 . 1 . 1 5 5 ILE HG22 H 1 0.920 0.02 . 1 . . . . A 5 ILE HG22 . 34736 1 27 . 1 . 1 5 5 ILE HG23 H 1 0.920 0.02 . 1 . . . . A 5 ILE HG23 . 34736 1 28 . 1 . 1 5 5 ILE HD11 H 1 0.920 0.02 . 1 . . . . A 5 ILE HD11 . 34736 1 29 . 1 . 1 5 5 ILE HD12 H 1 0.920 0.02 . 1 . . . . A 5 ILE HD12 . 34736 1 30 . 1 . 1 5 5 ILE HD13 H 1 0.920 0.02 . 1 . . . . A 5 ILE HD13 . 34736 1 31 . 1 . 1 5 5 ILE N N 15 123.300 0.30 . 1 . . . . A 5 ILE N . 34736 1 32 . 1 . 1 6 6 THR H H 1 7.970 0.02 . 1 . . . . A 6 THR H . 34736 1 33 . 1 . 1 6 6 THR HA H 1 3.990 0.02 . 1 . . . . A 6 THR HA . 34736 1 34 . 1 . 1 6 6 THR HB H 1 4.250 0.02 . 1 . . . . A 6 THR HB . 34736 1 35 . 1 . 1 6 6 THR HG21 H 1 1.210 0.02 . 1 . . . . A 6 THR HG1 . 34736 1 36 . 1 . 1 6 6 THR HG22 H 1 1.210 0.02 . 1 . . . . A 6 THR HG1 . 34736 1 37 . 1 . 1 6 6 THR HG23 H 1 1.210 0.02 . 1 . . . . A 6 THR HG1 . 34736 1 38 . 1 . 1 6 6 THR N N 15 119.200 0.30 . 1 . . . . A 6 THR N . 34736 1 39 . 1 . 1 7 7 LEU H H 1 8.290 0.02 . 1 . . . . A 7 LEU H . 34736 1 40 . 1 . 1 7 7 LEU HA H 1 3.880 0.02 . 1 . . . . A 7 LEU HA . 34736 1 41 . 1 . 1 7 7 LEU HB2 H 1 1.830 0.02 . 4 . . . . A 7 LEU HB2 . 34736 1 42 . 1 . 1 7 7 LEU HB3 H 1 1.470 0.02 . 4 . . . . A 7 LEU HB3 . 34736 1 43 . 1 . 1 7 7 LEU HG H 1 1.720 0.02 . 4 . . . . A 7 LEU HG . 34736 1 44 . 1 . 1 7 7 LEU HD11 H 1 0.920 0.02 . 2 . . . . A 7 LEU HD11 . 34736 1 45 . 1 . 1 7 7 LEU HD12 H 1 0.920 0.02 . 2 . . . . A 7 LEU HD12 . 34736 1 46 . 1 . 1 7 7 LEU HD13 H 1 0.920 0.02 . 2 . . . . A 7 LEU HD13 . 34736 1 47 . 1 . 1 7 7 LEU HD21 H 1 0.810 0.02 . 2 . . . . A 7 LEU HD21 . 34736 1 48 . 1 . 1 7 7 LEU HD22 H 1 0.810 0.02 . 2 . . . . A 7 LEU HD22 . 34736 1 49 . 1 . 1 7 7 LEU HD23 H 1 0.810 0.02 . 2 . . . . A 7 LEU HD23 . 34736 1 50 . 1 . 1 7 7 LEU N N 15 122.900 0.30 . 1 . . . . A 7 LEU N . 34736 1 51 . 1 . 1 8 8 GLN H H 1 8.130 0.02 . 1 . . . . A 8 GLN H . 34736 1 52 . 1 . 1 8 8 GLN HA H 1 3.700 0.02 . 1 . . . . A 8 GLN HA . 34736 1 53 . 1 . 1 8 8 GLN HB2 H 1 2.200 0.02 . 2 . . . . A 8 GLN HB2 . 34736 1 54 . 1 . 1 8 8 GLN HB3 H 1 2.090 0.02 . 2 . . . . A 8 GLN HB3 . 34736 1 55 . 1 . 1 8 8 GLN HG2 H 1 2.420 0.02 . 2 . . . . A 8 GLN HG2 . 34736 1 56 . 1 . 1 8 8 GLN HG3 H 1 2.230 0.02 . 2 . . . . A 8 GLN HG3 . 34736 1 57 . 1 . 1 8 8 GLN N N 15 117.600 0.30 . 1 . . . . A 8 GLN N . 34736 1 58 . 1 . 1 9 9 GLU H H 1 8.070 0.02 . 1 . . . . A 9 GLU H . 34736 1 59 . 1 . 1 9 9 GLU HA H 1 3.990 0.02 . 1 . . . . A 9 GLU HA . 34736 1 60 . 1 . 1 9 9 GLU HB2 H 1 2.200 0.02 . 2 . . . . A 9 GLU HB2 . 34736 1 61 . 1 . 1 9 9 GLU HB3 H 1 2.090 0.02 . 2 . . . . A 9 GLU HB3 . 34736 1 62 . 1 . 1 9 9 GLU HG2 H 1 2.270 0.02 . 2 . . . . A 9 GLU HG2 . 34736 1 63 . 1 . 1 9 9 GLU HG3 H 1 2.270 0.02 . 2 . . . . A 9 GLU HG3 . 34736 1 64 . 1 . 1 9 9 GLU N N 15 121.200 0.30 . 1 . . . . A 9 GLU N . 34736 1 65 . 1 . 1 10 10 ILE H H 1 8.220 0.02 . 1 . . . . A 10 ILE H . 34736 1 66 . 1 . 1 10 10 ILE HA H 1 3.550 0.02 . 1 . . . . A 10 ILE HA . 34736 1 67 . 1 . 1 10 10 ILE HB H 1 2.020 0.02 . 2 . . . . A 10 ILE HB . 34736 1 68 . 1 . 1 10 10 ILE HG12 H 1 1.910 0.02 . 2 . . . . A 10 ILE HG12 . 34736 1 69 . 1 . 1 10 10 ILE HG13 H 1 1.910 0.02 . 2 . . . . A 10 ILE HG13 . 34736 1 70 . 1 . 1 10 10 ILE HG21 H 1 0.770 0.02 . 1 . . . . A 10 ILE HG21 . 34736 1 71 . 1 . 1 10 10 ILE HG22 H 1 0.770 0.02 . 1 . . . . A 10 ILE HG22 . 34736 1 72 . 1 . 1 10 10 ILE HG23 H 1 0.770 0.02 . 1 . . . . A 10 ILE HG23 . 34736 1 73 . 1 . 1 10 10 ILE HD11 H 1 0.620 0.02 . 1 . . . . A 10 ILE HD11 . 34736 1 74 . 1 . 1 10 10 ILE HD12 H 1 0.620 0.02 . 1 . . . . A 10 ILE HD12 . 34736 1 75 . 1 . 1 10 10 ILE HD13 H 1 0.620 0.02 . 1 . . . . A 10 ILE HD13 . 34736 1 76 . 1 . 1 10 10 ILE N N 15 124.600 0.30 . 1 . . . . A 10 ILE N . 34736 1 77 . 1 . 1 11 11 ILE H H 1 8.160 0.02 . 1 . . . . A 11 ILE H . 34736 1 78 . 1 . 1 11 11 ILE HA H 1 3.410 0.02 . 1 . . . . A 11 ILE HA . 34736 1 79 . 1 . 1 11 11 ILE HB H 1 1.720 0.02 . 2 . . . . A 11 ILE HB . 34736 1 80 . 1 . 1 11 11 ILE HG12 H 1 1.540 0.02 . 2 . . . . A 11 ILE HG12 . 34736 1 81 . 1 . 1 11 11 ILE HG13 H 1 0.880 0.02 . 2 . . . . A 11 ILE HG13 . 34736 1 82 . 1 . 1 11 11 ILE HG21 H 1 0.810 0.02 . 1 . . . . A 11 ILE HG21 . 34736 1 83 . 1 . 1 11 11 ILE HG22 H 1 0.810 0.02 . 1 . . . . A 11 ILE HG22 . 34736 1 84 . 1 . 1 11 11 ILE HG23 H 1 0.810 0.02 . 1 . . . . A 11 ILE HG23 . 34736 1 85 . 1 . 1 11 11 ILE HD11 H 1 0.620 0.02 . 1 . . . . A 11 ILE HD11 . 34736 1 86 . 1 . 1 11 11 ILE HD12 H 1 0.620 0.02 . 1 . . . . A 11 ILE HD12 . 34736 1 87 . 1 . 1 11 11 ILE HD13 H 1 0.620 0.02 . 1 . . . . A 11 ILE HD13 . 34736 1 88 . 1 . 1 11 11 ILE N N 15 122.000 0.30 . 1 . . . . A 11 ILE N . 34736 1 89 . 1 . 1 12 12 LYS H H 1 8.000 0.02 . 1 . . . . A 12 LYS H . 34736 1 90 . 1 . 1 12 12 LYS HA H 1 3.850 0.02 . 1 . . . . A 12 LYS HA . 34736 1 91 . 1 . 1 12 12 LYS HB2 H 1 1.940 0.02 . 2 . . . . A 12 LYS HB2 . 34736 1 92 . 1 . 1 12 12 LYS HB3 H 1 1.940 0.02 . 2 . . . . A 12 LYS HB3 . 34736 1 93 . 1 . 1 12 12 LYS HG2 H 1 1.610 0.02 . 4 . . . . A 12 LYS HG2 . 34736 1 94 . 1 . 1 12 12 LYS HG3 H 1 1.400 0.02 . 4 . . . . A 12 LYS HG3 . 34736 1 95 . 1 . 1 12 12 LYS N N 15 120.200 0.30 . 1 . . . . A 12 LYS N . 34736 1 96 . 1 . 1 13 13 THR H H 1 8.120 0.02 . 1 . . . . A 13 THR H . 34736 1 97 . 1 . 1 13 13 THR HA H 1 3.630 0.02 . 1 . . . . A 13 THR HA . 34736 1 98 . 1 . 1 13 13 THR HB H 1 4.250 0.02 . 1 . . . . A 13 THR HB . 34736 1 99 . 1 . 1 13 13 THR N N 15 117.700 0.30 . 1 . . . . A 13 THR N . 34736 1 100 . 1 . 1 14 14 LEU H H 1 8.570 0.02 . 1 . . . . A 14 LEU H . 34736 1 101 . 1 . 1 14 14 LEU HA H 1 3.960 0.02 . 1 . . . . A 14 LEU HA . 34736 1 102 . 1 . 1 14 14 LEU HB2 H 1 2.050 0.02 . 2 . . . . A 14 LEU HB2 . 34736 1 103 . 1 . 1 14 14 LEU HB3 H 1 1.170 0.02 . 2 . . . . A 14 LEU HB3 . 34736 1 104 . 1 . 1 14 14 LEU HG H 1 1.800 0.02 . 1 . . . . A 14 LEU HG . 34736 1 105 . 1 . 1 14 14 LEU HD11 H 1 0.920 0.02 . 2 . . . . A 14 LEU HD11 . 34736 1 106 . 1 . 1 14 14 LEU HD12 H 1 0.920 0.02 . 2 . . . . A 14 LEU HD12 . 34736 1 107 . 1 . 1 14 14 LEU HD13 H 1 0.920 0.02 . 2 . . . . A 14 LEU HD13 . 34736 1 108 . 1 . 1 14 14 LEU HD21 H 1 0.700 0.02 . 2 . . . . A 14 LEU HD21 . 34736 1 109 . 1 . 1 14 14 LEU HD22 H 1 0.700 0.02 . 2 . . . . A 14 LEU HD22 . 34736 1 110 . 1 . 1 14 14 LEU HD23 H 1 0.700 0.02 . 2 . . . . A 14 LEU HD23 . 34736 1 111 . 1 . 1 14 14 LEU N N 15 123.500 0.30 . 1 . . . . A 14 LEU N . 34736 1 112 . 1 . 1 15 15 ASN H H 1 8.600 0.02 . 1 . . . . A 15 ASN H . 34736 1 113 . 1 . 1 15 15 ASN HA H 1 4.290 0.02 . 1 . . . . A 15 ASN HA . 34736 1 114 . 1 . 1 15 15 ASN HB2 H 1 2.930 0.02 . 2 . . . . A 15 ASN HB2 . 34736 1 115 . 1 . 1 15 15 ASN HB3 H 1 2.820 0.02 . 2 . . . . A 15 ASN HB3 . 34736 1 116 . 1 . 1 15 15 ASN N N 15 121.700 0.30 . 1 . . . . A 15 ASN N . 34736 1 117 . 1 . 1 16 16 SER H H 1 7.830 0.02 . 1 . . . . A 16 SER H . 34736 1 118 . 1 . 1 16 16 SER HA H 1 4.210 0.02 . 1 . . . . A 16 SER HA . 34736 1 119 . 1 . 1 16 16 SER HB2 H 1 3.630 0.02 . 2 . . . . A 16 SER HB2 . 34736 1 120 . 1 . 1 16 16 SER HB3 H 1 3.630 0.02 . 2 . . . . A 16 SER HB3 . 34736 1 121 . 1 . 1 16 16 SER N N 15 116.500 0.30 . 1 . . . . A 16 SER N . 34736 1 122 . 1 . 1 17 17 LEU H H 1 8.110 0.02 . 1 . . . . A 17 LEU H . 34736 1 123 . 1 . 1 17 17 LEU HA H 1 4.070 0.02 . 1 . . . . A 17 LEU HA . 34736 1 124 . 1 . 1 17 17 LEU HB2 H 1 1.980 0.02 . 2 . . . . A 17 LEU HB2 . 34736 1 125 . 1 . 1 17 17 LEU HB3 H 1 1.470 0.02 . 2 . . . . A 17 LEU HB3 . 34736 1 126 . 1 . 1 17 17 LEU HG H 1 1.690 0.02 . 1 . . . . A 17 LEU HG . 34736 1 127 . 1 . 1 17 17 LEU HD11 H 1 1.100 0.02 . 2 . . . . A 17 LEU HD11 . 34736 1 128 . 1 . 1 17 17 LEU HD12 H 1 1.100 0.02 . 2 . . . . A 17 LEU HD12 . 34736 1 129 . 1 . 1 17 17 LEU HD13 H 1 1.100 0.02 . 2 . . . . A 17 LEU HD13 . 34736 1 130 . 1 . 1 17 17 LEU HD21 H 1 0.880 0.02 . 2 . . . . A 17 LEU HD21 . 34736 1 131 . 1 . 1 17 17 LEU HD22 H 1 0.880 0.02 . 2 . . . . A 17 LEU HD22 . 34736 1 132 . 1 . 1 17 17 LEU HD23 H 1 0.880 0.02 . 2 . . . . A 17 LEU HD23 . 34736 1 133 . 1 . 1 17 17 LEU N N 15 121.700 0.30 . 1 . . . . A 17 LEU N . 34736 1 134 . 1 . 1 18 18 THR H H 1 7.700 0.02 . 1 . . . . A 18 THR H . 34736 1 135 . 1 . 1 18 18 THR HA H 1 4.430 0.02 . 1 . . . . A 18 THR HA . 34736 1 136 . 1 . 1 18 18 THR HB H 1 4.510 0.02 . 1 . . . . A 18 THR HB . 34736 1 137 . 1 . 1 18 18 THR HG21 H 1 1.210 0.02 . 1 . . . . A 18 THR HG1 . 34736 1 138 . 1 . 1 18 18 THR HG22 H 1 1.210 0.02 . 1 . . . . A 18 THR HG1 . 34736 1 139 . 1 . 1 18 18 THR HG23 H 1 1.210 0.02 . 1 . . . . A 18 THR HG1 . 34736 1 140 . 1 . 1 18 18 THR N N 15 104.800 0.30 . 1 . . . . A 18 THR N . 34736 1 141 . 1 . 1 19 19 GLU H H 1 7.390 0.02 . 1 . . . . A 19 GLU H . 34736 1 142 . 1 . 1 19 19 GLU HA H 1 4.250 0.02 . 1 . . . . A 19 GLU HA . 34736 1 143 . 1 . 1 19 19 GLU HB2 H 1 2.120 0.02 . 2 . . . . A 19 GLU HB2 . 34736 1 144 . 1 . 1 19 19 GLU HB3 H 1 2.120 0.02 . 2 . . . . A 19 GLU HB3 . 34736 1 145 . 1 . 1 19 19 GLU HG2 H 1 2.450 0.02 . 2 . . . . A 19 GLU HG2 . 34736 1 146 . 1 . 1 19 19 GLU HG3 H 1 2.340 0.02 . 2 . . . . A 19 GLU HG3 . 34736 1 147 . 1 . 1 19 19 GLU N N 15 121.600 0.30 . 1 . . . . A 19 GLU N . 34736 1 148 . 1 . 1 20 20 GLN H H 1 7.420 0.02 . 1 . . . . A 20 GLN H . 34736 1 149 . 1 . 1 20 20 GLN HA H 1 4.510 0.02 . 1 . . . . A 20 GLN HA . 34736 1 150 . 1 . 1 20 20 GLN HB2 H 1 2.120 0.02 . 2 . . . . A 20 GLN HB2 . 34736 1 151 . 1 . 1 20 20 GLN HB3 H 1 1.970 0.02 . 2 . . . . A 20 GLN HB3 . 34736 1 152 . 1 . 1 20 20 GLN HG2 H 1 2.340 0.02 . 2 . . . . A 20 GLN HG2 . 34736 1 153 . 1 . 1 20 20 GLN HG3 H 1 2.340 0.02 . 2 . . . . A 20 GLN HG3 . 34736 1 154 . 1 . 1 20 20 GLN N N 15 117.400 0.30 . 1 . . . . A 20 GLN N . 34736 1 155 . 1 . 1 21 21 LYS H H 1 8.300 0.02 . 1 . . . . A 21 LYS H . 34736 1 156 . 1 . 1 21 21 LYS HA H 1 4.430 0.02 . 1 . . . . A 21 LYS HA . 34736 1 157 . 1 . 1 21 21 LYS HB2 H 1 1.830 0.02 . 2 . . . . A 21 LYS HB2 . 34736 1 158 . 1 . 1 21 21 LYS HB3 H 1 1.750 0.02 . 2 . . . . A 21 LYS HB3 . 34736 1 159 . 1 . 1 21 21 LYS HG2 H 1 1.430 0.02 . 2 . . . . A 21 LYS HG2 . 34736 1 160 . 1 . 1 21 21 LYS HG3 H 1 1.430 0.02 . 2 . . . . A 21 LYS HG3 . 34736 1 161 . 1 . 1 21 21 LYS N N 15 125.500 0.30 . 1 . . . . A 21 LYS N . 34736 1 162 . 1 . 1 22 22 THR H H 1 8.280 0.02 . 1 . . . . A 22 THR H . 34736 1 163 . 1 . 1 22 22 THR HA H 1 4.430 0.02 . 1 . . . . A 22 THR HA . 34736 1 164 . 1 . 1 22 22 THR HB H 1 4.540 0.02 . 1 . . . . A 22 THR HB . 34736 1 165 . 1 . 1 22 22 THR HG21 H 1 1.310 0.02 . 1 . . . . A 22 THR HG1 . 34736 1 166 . 1 . 1 22 22 THR HG22 H 1 1.310 0.02 . 1 . . . . A 22 THR HG1 . 34736 1 167 . 1 . 1 22 22 THR HG23 H 1 1.310 0.02 . 1 . . . . A 22 THR HG1 . 34736 1 168 . 1 . 1 22 22 THR N N 15 115.400 0.30 . 1 . . . . A 22 THR N . 34736 1 169 . 1 . 1 23 23 LEU H H 1 8.530 0.02 . 1 . . . . A 23 LEU H . 34736 1 170 . 1 . 1 23 23 LEU HA H 1 4.290 0.02 . 1 . . . . A 23 LEU HA . 34736 1 171 . 1 . 1 23 23 LEU HB2 H 1 1.870 0.02 . 2 . . . . A 23 LEU HB2 . 34736 1 172 . 1 . 1 23 23 LEU HB3 H 1 1.360 0.02 . 2 . . . . A 23 LEU HB3 . 34736 1 173 . 1 . 1 23 23 LEU HG H 1 1.720 0.02 . 1 . . . . A 23 LEU HG . 34736 1 174 . 1 . 1 23 23 LEU HD11 H 1 0.950 0.02 . 2 . . . . A 23 LEU HD11 . 34736 1 175 . 1 . 1 23 23 LEU HD12 H 1 0.950 0.02 . 2 . . . . A 23 LEU HD12 . 34736 1 176 . 1 . 1 23 23 LEU HD13 H 1 0.950 0.02 . 2 . . . . A 23 LEU HD13 . 34736 1 177 . 1 . 1 23 23 LEU HD21 H 1 0.950 0.02 . 2 . . . . A 23 LEU HD21 . 34736 1 178 . 1 . 1 23 23 LEU HD22 H 1 0.950 0.02 . 2 . . . . A 23 LEU HD22 . 34736 1 179 . 1 . 1 23 23 LEU HD23 H 1 0.950 0.02 . 2 . . . . A 23 LEU HD23 . 34736 1 180 . 1 . 1 23 23 LEU N N 15 123.600 0.30 . 1 . . . . A 23 LEU N . 34736 1 181 . 1 . 1 24 24 CYS H H 1 8.470 0.02 . 1 . . . . A 24 CYS H . 34736 1 182 . 1 . 1 24 24 CYS HB2 H 1 3.660 0.02 . 2 . . . . A 24 CYS HB2 . 34736 1 183 . 1 . 1 24 24 CYS HB3 H 1 3.150 0.02 . 2 . . . . A 24 CYS HB3 . 34736 1 184 . 1 . 1 24 24 CYS N N 15 114.000 0.30 . 1 . . . . A 24 CYS N . 34736 1 185 . 1 . 1 25 25 THR H H 1 7.750 0.02 . 1 . . . . A 25 THR H . 34736 1 186 . 1 . 1 25 25 THR HA H 1 4.210 0.02 . 1 . . . . A 25 THR HA . 34736 1 187 . 1 . 1 25 25 THR HB H 1 4.510 0.02 . 1 . . . . A 25 THR HB . 34736 1 188 . 1 . 1 25 25 THR HG21 H 1 1.320 0.02 . 1 . . . . A 25 THR HG1 . 34736 1 189 . 1 . 1 25 25 THR HG22 H 1 1.320 0.02 . 1 . . . . A 25 THR HG1 . 34736 1 190 . 1 . 1 25 25 THR HG23 H 1 1.320 0.02 . 1 . . . . A 25 THR HG1 . 34736 1 191 . 1 . 1 25 25 THR N N 15 105.900 0.30 . 1 . . . . A 25 THR N . 34736 1 192 . 1 . 1 27 27 LEU H H 1 7.070 0.02 . 1 . . . . A 27 LEU H . 34736 1 193 . 1 . 1 27 27 LEU HA H 1 4.430 0.02 . 1 . . . . A 27 LEU HA . 34736 1 194 . 1 . 1 27 27 LEU HB2 H 1 2.050 0.02 . 2 . . . . A 27 LEU HB2 . 34736 1 195 . 1 . 1 27 27 LEU HB3 H 1 1.580 0.02 . 2 . . . . A 27 LEU HB3 . 34736 1 196 . 1 . 1 27 27 LEU HG H 1 1.830 0.02 . 1 . . . . A 27 LEU HG . 34736 1 197 . 1 . 1 27 27 LEU HD11 H 1 0.850 0.02 . 2 . . . . A 27 LEU HD11 . 34736 1 198 . 1 . 1 27 27 LEU HD12 H 1 0.850 0.02 . 2 . . . . A 27 LEU HD12 . 34736 1 199 . 1 . 1 27 27 LEU HD13 H 1 0.850 0.02 . 2 . . . . A 27 LEU HD13 . 34736 1 200 . 1 . 1 27 27 LEU HD21 H 1 0.620 0.02 . 2 . . . . A 27 LEU HD21 . 34736 1 201 . 1 . 1 27 27 LEU HD22 H 1 0.620 0.02 . 2 . . . . A 27 LEU HD22 . 34736 1 202 . 1 . 1 27 27 LEU HD23 H 1 0.620 0.02 . 2 . . . . A 27 LEU HD23 . 34736 1 203 . 1 . 1 27 27 LEU N N 15 120.100 0.30 . 1 . . . . A 27 LEU N . 34736 1 204 . 1 . 1 28 28 THR H H 1 8.050 0.02 . 1 . . . . A 28 THR H . 34736 1 205 . 1 . 1 28 28 THR HA H 1 5.020 0.02 . 1 . . . . A 28 THR HA . 34736 1 206 . 1 . 1 28 28 THR HB H 1 4.210 0.02 . 1 . . . . A 28 THR HB . 34736 1 207 . 1 . 1 28 28 THR HG21 H 1 1.140 0.02 . 1 . . . . A 28 THR HG1 . 34736 1 208 . 1 . 1 28 28 THR HG22 H 1 1.140 0.02 . 1 . . . . A 28 THR HG1 . 34736 1 209 . 1 . 1 28 28 THR HG23 H 1 1.140 0.02 . 1 . . . . A 28 THR HG1 . 34736 1 210 . 1 . 1 28 28 THR N N 15 103.700 0.30 . 1 . . . . A 28 THR N . 34736 1 211 . 1 . 1 29 29 VAL H H 1 9.030 0.02 . 1 . . . . A 29 VAL H . 34736 1 212 . 1 . 1 29 29 VAL HA H 1 4.650 0.02 . 1 . . . . A 29 VAL HA . 34736 1 213 . 1 . 1 29 29 VAL HB H 1 1.140 0.02 . 1 . . . . A 29 VAL HB . 34736 1 214 . 1 . 1 29 29 VAL HG11 H 1 0.700 0.02 . 2 . . . . A 29 VAL HG11 . 34736 1 215 . 1 . 1 29 29 VAL HG12 H 1 0.700 0.02 . 2 . . . . A 29 VAL HG12 . 34736 1 216 . 1 . 1 29 29 VAL HG13 H 1 0.700 0.02 . 2 . . . . A 29 VAL HG13 . 34736 1 217 . 1 . 1 29 29 VAL HG21 H 1 0.290 0.02 . 2 . . . . A 29 VAL HG21 . 34736 1 218 . 1 . 1 29 29 VAL HG22 H 1 0.290 0.02 . 2 . . . . A 29 VAL HG22 . 34736 1 219 . 1 . 1 29 29 VAL HG23 H 1 0.290 0.02 . 2 . . . . A 29 VAL HG23 . 34736 1 220 . 1 . 1 29 29 VAL N N 15 113.600 0.30 . 1 . . . . A 29 VAL N . 34736 1 221 . 1 . 1 30 30 THR H H 1 7.840 0.02 . 1 . . . . A 30 THR H . 34736 1 222 . 1 . 1 30 30 THR HA H 1 4.100 0.02 . 1 . . . . A 30 THR HA . 34736 1 223 . 1 . 1 30 30 THR HB H 1 3.850 0.02 . 1 . . . . A 30 THR HB . 34736 1 224 . 1 . 1 30 30 THR HG21 H 1 1.100 0.02 . 1 . . . . A 30 THR HG1 . 34736 1 225 . 1 . 1 30 30 THR HG22 H 1 1.100 0.02 . 1 . . . . A 30 THR HG1 . 34736 1 226 . 1 . 1 30 30 THR HG23 H 1 1.100 0.02 . 1 . . . . A 30 THR HG1 . 34736 1 227 . 1 . 1 30 30 THR N N 15 119.500 0.30 . 1 . . . . A 30 THR N . 34736 1 228 . 1 . 1 31 31 ASP H H 1 8.610 0.02 . 1 . . . . A 31 ASP H . 34736 1 229 . 1 . 1 31 31 ASP HA H 1 4.690 0.02 . 1 . . . . A 31 ASP HA . 34736 1 230 . 1 . 1 31 31 ASP HB2 H 1 2.780 0.02 . 2 . . . . A 31 ASP HB2 . 34736 1 231 . 1 . 1 31 31 ASP HB3 H 1 2.340 0.02 . 2 . . . . A 31 ASP HB3 . 34736 1 232 . 1 . 1 31 31 ASP N N 15 126.100 0.30 . 1 . . . . A 31 ASP N . 34736 1 233 . 1 . 1 32 32 ILE H H 1 6.610 0.02 . 1 . . . . A 32 ILE H . 34736 1 234 . 1 . 1 32 32 ILE HA H 1 4.070 0.02 . 1 . . . . A 32 ILE HA . 34736 1 235 . 1 . 1 32 32 ILE HB H 1 1.940 0.02 . 1 . . . . A 32 ILE HB . 34736 1 236 . 1 . 1 32 32 ILE HG12 H 1 0.700 0.02 . 2 . . . . A 32 ILE HG12 . 34736 1 237 . 1 . 1 32 32 ILE HG13 H 1 0.440 0.02 . 2 . . . . A 32 ILE HG13 . 34736 1 238 . 1 . 1 32 32 ILE HG21 H 1 0.880 0.02 . 1 . . . . A 32 ILE HG21 . 34736 1 239 . 1 . 1 32 32 ILE HG22 H 1 0.880 0.02 . 1 . . . . A 32 ILE HG22 . 34736 1 240 . 1 . 1 32 32 ILE HG23 H 1 0.880 0.02 . 1 . . . . A 32 ILE HG23 . 34736 1 241 . 1 . 1 32 32 ILE HD11 H 1 0.330 0.02 . 1 . . . . A 32 ILE HD11 . 34736 1 242 . 1 . 1 32 32 ILE HD12 H 1 0.330 0.02 . 1 . . . . A 32 ILE HD12 . 34736 1 243 . 1 . 1 32 32 ILE HD13 H 1 0.330 0.02 . 1 . . . . A 32 ILE HD13 . 34736 1 244 . 1 . 1 32 32 ILE N N 15 120.400 0.30 . 1 . . . . A 32 ILE N . 34736 1 245 . 1 . 1 33 33 PHE H H 1 8.120 0.02 . 1 . . . . A 33 PHE H . 34736 1 246 . 1 . 1 33 33 PHE HA H 1 4.470 0.02 . 1 . . . . A 33 PHE HA . 34736 1 247 . 1 . 1 33 33 PHE HB2 H 1 3.260 0.02 . 2 . . . . A 33 PHE HB2 . 34736 1 248 . 1 . 1 33 33 PHE HB3 H 1 3.080 0.02 . 2 . . . . A 33 PHE HB3 . 34736 1 249 . 1 . 1 33 33 PHE N N 15 121.700 0.30 . 1 . . . . A 33 PHE N . 34736 1 250 . 1 . 1 34 34 ALA H H 1 7.440 0.02 . 1 . . . . A 34 ALA H . 34736 1 251 . 1 . 1 34 34 ALA HA H 1 4.250 0.02 . 1 . . . . A 34 ALA HA . 34736 1 252 . 1 . 1 34 34 ALA HB1 H 1 1.430 0.02 . 1 . . . . A 34 ALA HB1 . 34736 1 253 . 1 . 1 34 34 ALA HB2 H 1 1.430 0.02 . 1 . . . . A 34 ALA HB2 . 34736 1 254 . 1 . 1 34 34 ALA HB3 H 1 1.430 0.02 . 1 . . . . A 34 ALA HB3 . 34736 1 255 . 1 . 1 34 34 ALA N N 15 125.900 0.30 . 1 . . . . A 34 ALA N . 34736 1 256 . 1 . 1 35 35 ALA H H 1 7.750 0.02 . 1 . . . . A 35 ALA H . 34736 1 257 . 1 . 1 35 35 ALA HA H 1 4.430 0.02 . 1 . . . . A 35 ALA HA . 34736 1 258 . 1 . 1 35 35 ALA HB1 H 1 1.390 0.02 . 1 . . . . A 35 ALA HB1 . 34736 1 259 . 1 . 1 35 35 ALA HB2 H 1 1.390 0.02 . 1 . . . . A 35 ALA HB2 . 34736 1 260 . 1 . 1 35 35 ALA HB3 H 1 1.390 0.02 . 1 . . . . A 35 ALA HB3 . 34736 1 261 . 1 . 1 35 35 ALA N N 15 122.300 0.30 . 1 . . . . A 35 ALA N . 34736 1 262 . 1 . 1 36 36 SER H H 1 7.870 0.02 . 1 . . . . A 36 SER H . 34736 1 263 . 1 . 1 36 36 SER HA H 1 4.430 0.02 . 1 . . . . A 36 SER HA . 34736 1 264 . 1 . 1 36 36 SER HB2 H 1 3.960 0.02 . 2 . . . . A 36 SER HB2 . 34736 1 265 . 1 . 1 36 36 SER HB3 H 1 3.880 0.02 . 2 . . . . A 36 SER HB3 . 34736 1 266 . 1 . 1 36 36 SER N N 15 114.100 0.50 . 1 . . . . A 36 SER N . 34736 1 267 . 1 . 1 37 37 LYS H H 1 8.220 0.02 . 1 . . . . A 37 LYS H . 34736 1 268 . 1 . 1 37 37 LYS HA H 1 4.240 0.02 . 1 . . . . A 37 LYS HA . 34736 1 269 . 1 . 1 37 37 LYS HB2 H 1 1.790 0.02 . 2 . . . . A 37 LYS HB2 . 34736 1 270 . 1 . 1 37 37 LYS HB3 H 1 1.790 0.02 . 2 . . . . A 37 LYS HB3 . 34736 1 271 . 1 . 1 37 37 LYS HG2 H 1 1.430 0.02 . 2 . . . . A 37 LYS HG2 . 34736 1 272 . 1 . 1 37 37 LYS HG3 H 1 1.430 0.02 . 2 . . . . A 37 LYS HG3 . 34736 1 273 . 1 . 1 37 37 LYS N N 15 124.900 0.30 . 1 . . . . A 37 LYS N . 34736 1 274 . 1 . 1 38 38 ASN H H 1 8.470 0.02 . 1 . . . . A 38 ASN H . 34736 1 275 . 1 . 1 38 38 ASN HA H 1 4.760 0.02 . 1 . . . . A 38 ASN HA . 34736 1 276 . 1 . 1 38 38 ASN HB2 H 1 2.930 0.02 . 2 . . . . A 38 ASN HB2 . 34736 1 277 . 1 . 1 38 38 ASN HB3 H 1 2.750 0.02 . 2 . . . . A 38 ASN HB3 . 34736 1 278 . 1 . 1 38 38 ASN N N 15 118.900 0.30 . 1 . . . . A 38 ASN N . 34736 1 279 . 1 . 1 39 39 THR H H 1 7.780 0.02 . 1 . . . . A 39 THR H . 34736 1 280 . 1 . 1 39 39 THR HA H 1 4.540 0.02 . 1 . . . . A 39 THR HA . 34736 1 281 . 1 . 1 39 39 THR HB H 1 4.100 0.02 . 1 . . . . A 39 THR HB . 34736 1 282 . 1 . 1 39 39 THR HG21 H 1 1.170 0.02 . 1 . . . . A 39 THR HG1 . 34736 1 283 . 1 . 1 39 39 THR HG22 H 1 1.170 0.02 . 1 . . . . A 39 THR HG1 . 34736 1 284 . 1 . 1 39 39 THR HG23 H 1 1.170 0.02 . 1 . . . . A 39 THR HG1 . 34736 1 285 . 1 . 1 39 39 THR N N 15 114.700 0.30 . 1 . . . . A 39 THR N . 34736 1 286 . 1 . 1 40 40 THR H H 1 8.480 0.02 . 1 . . . . A 40 THR H . 34736 1 287 . 1 . 1 40 40 THR HA H 1 4.470 0.02 . 1 . . . . A 40 THR HA . 34736 1 288 . 1 . 1 40 40 THR HB H 1 4.620 0.02 . 1 . . . . A 40 THR HB . 34736 1 289 . 1 . 1 40 40 THR HG21 H 1 1.310 0.02 . 1 . . . . A 40 THR HG1 . 34736 1 290 . 1 . 1 40 40 THR HG22 H 1 1.310 0.02 . 1 . . . . A 40 THR HG1 . 34736 1 291 . 1 . 1 40 40 THR HG23 H 1 1.310 0.02 . 1 . . . . A 40 THR HG1 . 34736 1 292 . 1 . 1 40 40 THR N N 15 115.200 0.30 . 1 . . . . A 40 THR N . 34736 1 293 . 1 . 1 41 41 GLU H H 1 8.790 0.02 . 1 . . . . A 41 GLU H . 34736 1 294 . 1 . 1 41 41 GLU HA H 1 3.660 0.02 . 1 . . . . A 41 GLU HA . 34736 1 295 . 1 . 1 41 41 GLU HB2 H 1 1.800 0.02 . 2 . . . . A 41 GLU HB2 . 34736 1 296 . 1 . 1 41 41 GLU HB3 H 1 1.870 0.02 . 2 . . . . A 41 GLU HB3 . 34736 1 297 . 1 . 1 41 41 GLU N N 15 125.300 0.30 . 1 . . . . A 41 GLU N . 34736 1 298 . 1 . 1 42 42 LYS H H 1 8.080 0.02 . 1 . . . . A 42 LYS H . 34736 1 299 . 1 . 1 42 42 LYS HA H 1 3.810 0.02 . 1 . . . . A 42 LYS HA . 34736 1 300 . 1 . 1 42 42 LYS HB2 H 1 1.970 0.02 . 4 . . . . A 42 LYS HB2 . 34736 1 301 . 1 . 1 42 42 LYS HB3 H 1 1.830 0.02 . 4 . . . . A 42 LYS HB3 . 34736 1 302 . 1 . 1 42 42 LYS HG2 H 1 1.720 0.02 . 4 . . . . A 42 LYS HG2 . 34736 1 303 . 1 . 1 42 42 LYS HG3 H 1 1.580 0.02 . 4 . . . . A 42 LYS HG3 . 34736 1 304 . 1 . 1 42 42 LYS N N 15 116.700 0.30 . 1 . . . . A 42 LYS N . 34736 1 305 . 1 . 1 43 43 GLU H H 1 7.530 0.02 . 1 . . . . A 43 GLU H . 34736 1 306 . 1 . 1 43 43 GLU HA H 1 3.850 0.02 . 1 . . . . A 43 GLU HA . 34736 1 307 . 1 . 1 43 43 GLU HB2 H 1 1.910 0.02 . 4 . . . . A 43 GLU HB2 . 34736 1 308 . 1 . 1 43 43 GLU HB3 H 1 1.830 0.02 . 4 . . . . A 43 GLU HB3 . 34736 1 309 . 1 . 1 43 43 GLU HG2 H 1 2.200 0.02 . 4 . . . . A 43 GLU HG2 . 34736 1 310 . 1 . 1 43 43 GLU HG3 H 1 2.200 0.02 . 4 . . . . A 43 GLU HG3 . 34736 1 311 . 1 . 1 43 43 GLU N N 15 118.700 0.30 . 1 . . . . A 43 GLU N . 34736 1 312 . 1 . 1 44 44 THR H H 1 8.160 0.02 . 1 . . . . A 44 THR H . 34736 1 313 . 1 . 1 44 44 THR HA H 1 3.730 0.02 . 1 . . . . A 44 THR HA . 34736 1 314 . 1 . 1 44 44 THR HB H 1 4.140 0.02 . 1 . . . . A 44 THR HB . 34736 1 315 . 1 . 1 44 44 THR HG21 H 1 1.140 0.02 . 1 . . . . A 44 THR HG1 . 34736 1 316 . 1 . 1 44 44 THR HG22 H 1 1.140 0.02 . 1 . . . . A 44 THR HG1 . 34736 1 317 . 1 . 1 44 44 THR HG23 H 1 1.140 0.02 . 1 . . . . A 44 THR HG1 . 34736 1 318 . 1 . 1 44 44 THR N N 15 119.200 0.30 . 1 . . . . A 44 THR N . 34736 1 319 . 1 . 1 45 45 PHE H H 1 8.340 0.02 . 1 . . . . A 45 PHE H . 34736 1 320 . 1 . 1 45 45 PHE HA H 1 4.510 0.02 . 1 . . . . A 45 PHE HA . 34736 1 321 . 1 . 1 45 45 PHE HB2 H 1 3.300 0.02 . 2 . . . . A 45 PHE HB2 . 34736 1 322 . 1 . 1 45 45 PHE HB3 H 1 3.190 0.02 . 2 . . . . A 45 PHE HB3 . 34736 1 323 . 1 . 1 45 45 PHE N N 15 121.300 0.30 . 1 . . . . A 45 PHE N . 34736 1 324 . 1 . 1 46 46 CYS H H 1 8.190 0.02 . 1 . . . . A 46 CYS H . 34736 1 325 . 1 . 1 46 46 CYS HA H 1 3.960 0.02 . 1 . . . . A 46 CYS HA . 34736 1 326 . 1 . 1 46 46 CYS HB2 H 1 3.260 0.02 . 2 . . . . A 46 CYS HB2 . 34736 1 327 . 1 . 1 46 46 CYS HB3 H 1 3.000 0.02 . 2 . . . . A 46 CYS HB3 . 34736 1 328 . 1 . 1 46 46 CYS N N 15 121.000 0.30 . 1 . . . . A 46 CYS N . 34736 1 329 . 1 . 1 47 47 ARG H H 1 9.090 0.02 . 1 . . . . A 47 ARG H . 34736 1 330 . 1 . 1 47 47 ARG HA H 1 3.880 0.02 . 1 . . . . A 47 ARG HA . 34736 1 331 . 1 . 1 47 47 ARG HB2 H 1 2.090 0.02 . 4 . . . . A 47 ARG HB2 . 34736 1 332 . 1 . 1 47 47 ARG HB3 H 1 2.090 0.02 . 4 . . . . A 47 ARG HB3 . 34736 1 333 . 1 . 1 47 47 ARG HG2 H 1 1.940 0.02 . 4 . . . . A 47 ARG HG2 . 34736 1 334 . 1 . 1 47 47 ARG HG3 H 1 1.650 0.02 . 4 . . . . A 47 ARG HG3 . 34736 1 335 . 1 . 1 47 47 ARG N N 15 126.400 0.30 . 1 . . . . A 47 ARG N . 34736 1 336 . 1 . 1 48 48 ALA H H 1 8.820 0.02 . 1 . . . . A 48 ALA H . 34736 1 337 . 1 . 1 48 48 ALA HA H 1 4.210 0.02 . 1 . . . . A 48 ALA HA . 34736 1 338 . 1 . 1 48 48 ALA HB1 H 1 1.650 0.02 . 1 . . . . A 48 ALA HB1 . 34736 1 339 . 1 . 1 48 48 ALA HB2 H 1 1.650 0.02 . 1 . . . . A 48 ALA HB2 . 34736 1 340 . 1 . 1 48 48 ALA HB3 H 1 1.650 0.02 . 1 . . . . A 48 ALA HB3 . 34736 1 341 . 1 . 1 48 48 ALA N N 15 123.300 0.30 . 1 . . . . A 48 ALA N . 34736 1 342 . 1 . 1 49 49 ALA H H 1 8.240 0.02 . 1 . . . . A 49 ALA H . 34736 1 343 . 1 . 1 49 49 ALA HA H 1 3.990 0.02 . 1 . . . . A 49 ALA HA . 34736 1 344 . 1 . 1 49 49 ALA HB1 H 1 1.650 0.02 . 1 . . . . A 49 ALA HB1 . 34736 1 345 . 1 . 1 49 49 ALA HB2 H 1 1.650 0.02 . 1 . . . . A 49 ALA HB2 . 34736 1 346 . 1 . 1 49 49 ALA HB3 H 1 1.650 0.02 . 1 . . . . A 49 ALA HB3 . 34736 1 347 . 1 . 1 49 49 ALA N N 15 121.900 0.30 . 1 . . . . A 49 ALA N . 34736 1 348 . 1 . 1 50 50 THR H H 1 8.230 0.02 . 1 . . . . A 50 THR H . 34736 1 349 . 1 . 1 50 50 THR HA H 1 3.840 0.02 . 1 . . . . A 50 THR HA . 34736 1 350 . 1 . 1 50 50 THR HB H 1 4.580 0.02 . 1 . . . . A 50 THR HB . 34736 1 351 . 1 . 1 50 50 THR HG21 H 1 1.320 0.02 . 1 . . . . A 50 THR HG1 . 34736 1 352 . 1 . 1 50 50 THR HG22 H 1 1.320 0.02 . 1 . . . . A 50 THR HG1 . 34736 1 353 . 1 . 1 50 50 THR HG23 H 1 1.320 0.02 . 1 . . . . A 50 THR HG1 . 34736 1 354 . 1 . 1 50 50 THR N N 15 114.500 0.30 . 1 . . . . A 50 THR N . 34736 1 355 . 1 . 1 51 51 VAL H H 1 8.230 0.02 . 1 . . . . A 51 VAL H . 34736 1 356 . 1 . 1 51 51 VAL HA H 1 3.850 0.02 . 1 . . . . A 51 VAL HA . 34736 1 357 . 1 . 1 51 51 VAL HB H 1 2.230 0.02 . 1 . . . . A 51 VAL HB . 34736 1 358 . 1 . 1 51 51 VAL HG11 H 1 1.100 0.02 . 2 . . . . A 51 VAL HG11 . 34736 1 359 . 1 . 1 51 51 VAL HG12 H 1 1.100 0.02 . 2 . . . . A 51 VAL HG12 . 34736 1 360 . 1 . 1 51 51 VAL HG13 H 1 1.100 0.02 . 2 . . . . A 51 VAL HG13 . 34736 1 361 . 1 . 1 51 51 VAL HG21 H 1 0.810 0.02 . 2 . . . . A 51 VAL HG21 . 34736 1 362 . 1 . 1 51 51 VAL HG22 H 1 0.810 0.02 . 2 . . . . A 51 VAL HG22 . 34736 1 363 . 1 . 1 51 51 VAL HG23 H 1 0.810 0.02 . 2 . . . . A 51 VAL HG23 . 34736 1 364 . 1 . 1 51 51 VAL N N 15 121.800 0.30 . 1 . . . . A 51 VAL N . 34736 1 365 . 1 . 1 52 52 LEU H H 1 8.180 0.02 . 1 . . . . A 52 LEU H . 34736 1 366 . 1 . 1 52 52 LEU HA H 1 3.940 0.02 . 1 . . . . A 52 LEU HA . 34736 1 367 . 1 . 1 52 52 LEU HB2 H 1 2.180 0.02 . 4 . . . . A 52 LEU HB2 . 34736 1 368 . 1 . 1 52 52 LEU HB3 H 1 1.410 0.02 . 4 . . . . A 52 LEU HB3 . 34736 1 369 . 1 . 1 52 52 LEU HD11 H 1 0.900 0.02 . 2 . . . . A 52 LEU HD11 . 34736 1 370 . 1 . 1 52 52 LEU HD12 H 1 0.900 0.02 . 2 . . . . A 52 LEU HD12 . 34736 1 371 . 1 . 1 52 52 LEU HD13 H 1 0.900 0.02 . 2 . . . . A 52 LEU HD13 . 34736 1 372 . 1 . 1 52 52 LEU HD21 H 1 0.790 0.02 . 2 . . . . A 52 LEU HD21 . 34736 1 373 . 1 . 1 52 52 LEU HD22 H 1 0.790 0.02 . 2 . . . . A 52 LEU HD22 . 34736 1 374 . 1 . 1 52 52 LEU HD23 H 1 0.790 0.02 . 2 . . . . A 52 LEU HD23 . 34736 1 375 . 1 . 1 52 52 LEU N N 15 121.700 0.30 . 1 . . . . A 52 LEU N . 34736 1 376 . 1 . 1 54 54 GLN H H 1 8.220 0.02 . 1 . . . . A 54 GLN H . 34736 1 377 . 1 . 1 54 54 GLN HA H 1 3.800 0.02 . 1 . . . . A 54 GLN HA . 34736 1 378 . 1 . 1 54 54 GLN HB2 H 1 2.290 0.02 . 2 . . . . A 54 GLN HB2 . 34736 1 379 . 1 . 1 54 54 GLN HB3 H 1 2.070 0.02 . 2 . . . . A 54 GLN HB3 . 34736 1 380 . 1 . 1 54 54 GLN HG2 H 1 2.480 0.02 . 2 . . . . A 54 GLN HG2 . 34736 1 381 . 1 . 1 54 54 GLN HG3 H 1 2.290 0.02 . 2 . . . . A 54 GLN HG3 . 34736 1 382 . 1 . 1 54 54 GLN N N 15 122.300 0.30 . 1 . . . . A 54 GLN N . 34736 1 383 . 1 . 1 55 55 PHE H H 1 8.060 0.02 . 1 . . . . A 55 PHE H . 34736 1 384 . 1 . 1 55 55 PHE HA H 1 4.360 0.02 . 1 . . . . A 55 PHE HA . 34736 1 385 . 1 . 1 55 55 PHE HB2 H 1 3.480 0.02 . 2 . . . . A 55 PHE HB2 . 34736 1 386 . 1 . 1 55 55 PHE HB3 H 1 3.180 0.02 . 2 . . . . A 55 PHE HB3 . 34736 1 387 . 1 . 1 55 55 PHE N N 15 120.300 0.30 . 1 . . . . A 55 PHE N . 34736 1 388 . 1 . 1 56 56 TYR H H 1 9.240 0.02 . 1 . . . . A 56 TYR H . 34736 1 389 . 1 . 1 56 56 TYR HA H 1 4.290 0.02 . 1 . . . . A 56 TYR HA . 34736 1 390 . 1 . 1 56 56 TYR HB2 H 1 3.480 0.02 . 2 . . . . A 56 TYR HB2 . 34736 1 391 . 1 . 1 56 56 TYR HB3 H 1 2.930 0.02 . 2 . . . . A 56 TYR HB3 . 34736 1 392 . 1 . 1 56 56 TYR N N 15 118.100 0.30 . 1 . . . . A 56 TYR N . 34736 1 393 . 1 . 1 57 57 SER H H 1 8.000 0.02 . 1 . . . . A 57 SER H . 34736 1 394 . 1 . 1 57 57 SER HA H 1 4.430 0.02 . 1 . . . . A 57 SER HA . 34736 1 395 . 1 . 1 57 57 SER HB2 H 1 3.850 0.02 . 2 . . . . A 57 SER HB2 . 34736 1 396 . 1 . 1 57 57 SER HB3 H 1 3.810 0.02 . 2 . . . . A 57 SER HB3 . 34736 1 397 . 1 . 1 57 57 SER N N 15 120.000 0.30 . 1 . . . . A 57 SER N . 34736 1 398 . 1 . 1 58 58 HIS H H 1 7.530 0.02 . 1 . . . . A 58 HIS H . 34736 1 399 . 1 . 1 58 58 HIS HA H 1 4.580 0.02 . 1 . . . . A 58 HIS HA . 34736 1 400 . 1 . 1 58 58 HIS HB2 H 1 2.780 0.02 . 2 . . . . A 58 HIS HB2 . 34736 1 401 . 1 . 1 58 58 HIS HB3 H 1 2.750 0.02 . 2 . . . . A 58 HIS HB3 . 34736 1 402 . 1 . 1 58 58 HIS N N 15 116.700 0.30 . 1 . . . . A 58 HIS N . 34736 1 403 . 1 . 1 59 59 HIS H H 1 7.900 0.02 . 1 . . . . A 59 HIS H . 34736 1 404 . 1 . 1 59 59 HIS HA H 1 5.060 0.02 . 1 . . . . A 59 HIS HA . 34736 1 405 . 1 . 1 59 59 HIS HB2 H 1 3.440 0.02 . 2 . . . . A 59 HIS HB2 . 34736 1 406 . 1 . 1 59 59 HIS HB3 H 1 2.230 0.02 . 2 . . . . A 59 HIS HB3 . 34736 1 407 . 1 . 1 59 59 HIS N N 15 111.700 0.30 . 1 . . . . A 59 HIS N . 34736 1 408 . 1 . 1 60 60 GLU H H 1 8.130 0.02 . 1 . . . . A 60 GLU H . 34736 1 409 . 1 . 1 60 60 GLU HA H 1 3.960 0.02 . 1 . . . . A 60 GLU HA . 34736 1 410 . 1 . 1 60 60 GLU HB2 H 1 2.600 0.02 . 4 . . . . A 60 GLU HB2 . 34736 1 411 . 1 . 1 60 60 GLU HB3 H 1 2.310 0.02 . 4 . . . . A 60 GLU HB3 . 34736 1 412 . 1 . 1 60 60 GLU HG2 H 1 2.120 0.02 . 2 . . . . A 60 GLU HG2 . 34736 1 413 . 1 . 1 60 60 GLU HG3 H 1 2.120 0.02 . 2 . . . . A 60 GLU HG3 . 34736 1 414 . 1 . 1 60 60 GLU N N 15 127.000 0.30 . 1 . . . . A 60 GLU N . 34736 1 415 . 1 . 1 61 61 LYS H H 1 8.670 0.02 . 1 . . . . A 61 LYS H . 34736 1 416 . 1 . 1 61 61 LYS HA H 1 4.510 0.02 . 1 . . . . A 61 LYS HA . 34736 1 417 . 1 . 1 61 61 LYS HB2 H 1 2.120 0.02 . 4 . . . . A 61 LYS HB2 . 34736 1 418 . 1 . 1 61 61 LYS HB3 H 1 2.120 0.02 . 4 . . . . A 61 LYS HB3 . 34736 1 419 . 1 . 1 61 61 LYS HG2 H 1 1.610 0.02 . 4 . . . . A 61 LYS HG2 . 34736 1 420 . 1 . 1 61 61 LYS HG3 H 1 1.360 0.02 . 4 . . . . A 61 LYS HG3 . 34736 1 421 . 1 . 1 61 61 LYS N N 15 117.200 0.30 . 1 . . . . A 61 LYS N . 34736 1 422 . 1 . 1 62 62 ASP H H 1 6.610 0.02 . 1 . . . . A 62 ASP H . 34736 1 423 . 1 . 1 62 62 ASP HA H 1 4.620 0.02 . 1 . . . . A 62 ASP HA . 34736 1 424 . 1 . 1 62 62 ASP HB2 H 1 3.000 0.02 . 2 . . . . A 62 ASP HB2 . 34736 1 425 . 1 . 1 62 62 ASP HB3 H 1 2.710 0.02 . 2 . . . . A 62 ASP HB3 . 34736 1 426 . 1 . 1 62 62 ASP N N 15 120.400 0.30 . 1 . . . . A 62 ASP N . 34736 1 427 . 1 . 1 63 63 THR H H 1 8.890 0.02 . 1 . . . . A 63 THR H . 34736 1 428 . 1 . 1 63 63 THR HA H 1 3.880 0.02 . 1 . . . . A 63 THR HA . 34736 1 429 . 1 . 1 63 63 THR HB H 1 4.290 0.02 . 1 . . . . A 63 THR HB . 34736 1 430 . 1 . 1 63 63 THR HG21 H 1 1.360 0.02 . 1 . . . . A 63 THR HG1 . 34736 1 431 . 1 . 1 63 63 THR HG22 H 1 1.360 0.02 . 1 . . . . A 63 THR HG1 . 34736 1 432 . 1 . 1 63 63 THR HG23 H 1 1.360 0.02 . 1 . . . . A 63 THR HG1 . 34736 1 433 . 1 . 1 63 63 THR N N 15 124.900 0.30 . 1 . . . . A 63 THR N . 34736 1 434 . 1 . 1 64 64 ARG H H 1 8.520 0.02 . 1 . . . . A 64 ARG H . 34736 1 435 . 1 . 1 64 64 ARG HA H 1 4.100 0.02 . 1 . . . . A 64 ARG HA . 34736 1 436 . 1 . 1 64 64 ARG HB2 H 1 1.870 0.02 . 4 . . . . A 64 ARG HB2 . 34736 1 437 . 1 . 1 64 64 ARG HB3 H 1 1.720 0.02 . 4 . . . . A 64 ARG HB3 . 34736 1 438 . 1 . 1 64 64 ARG N N 15 123.300 0.30 . 1 . . . . A 64 ARG N . 34736 1 439 . 1 . 1 65 65 CYS H H 1 7.460 0.02 . 1 . . . . A 65 CYS H . 34736 1 440 . 1 . 1 65 65 CYS HA H 1 4.430 0.02 . 1 . . . . A 65 CYS HA . 34736 1 441 . 1 . 1 65 65 CYS HB2 H 1 3.260 0.02 . 2 . . . . A 65 CYS HB2 . 34736 1 442 . 1 . 1 65 65 CYS HB3 H 1 2.710 0.02 . 2 . . . . A 65 CYS HB3 . 34736 1 443 . 1 . 1 65 65 CYS N N 15 113.500 0.30 . 1 . . . . A 65 CYS N . 34736 1 444 . 1 . 1 66 66 LEU H H 1 7.420 0.02 . 1 . . . . A 66 LEU H . 34736 1 445 . 1 . 1 66 66 LEU HA H 1 3.740 0.02 . 1 . . . . A 66 LEU HA . 34736 1 446 . 1 . 1 66 66 LEU HB2 H 1 1.650 0.02 . 2 . . . . A 66 LEU HB2 . 34736 1 447 . 1 . 1 66 66 LEU HB3 H 1 1.470 0.02 . 2 . . . . A 66 LEU HB3 . 34736 1 448 . 1 . 1 66 66 LEU HD11 H 1 0.790 0.02 . 2 . . . . A 66 LEU HD11 . 34736 1 449 . 1 . 1 66 66 LEU HD12 H 1 0.790 0.02 . 2 . . . . A 66 LEU HD12 . 34736 1 450 . 1 . 1 66 66 LEU HD13 H 1 0.790 0.02 . 2 . . . . A 66 LEU HD13 . 34736 1 451 . 1 . 1 66 66 LEU HD21 H 1 0.790 0.02 . 2 . . . . A 66 LEU HD21 . 34736 1 452 . 1 . 1 66 66 LEU HD22 H 1 0.790 0.02 . 2 . . . . A 66 LEU HD22 . 34736 1 453 . 1 . 1 66 66 LEU HD23 H 1 0.790 0.02 . 2 . . . . A 66 LEU HD23 . 34736 1 454 . 1 . 1 66 66 LEU N N 15 120.800 0.30 . 1 . . . . A 66 LEU N . 34736 1 455 . 1 . 1 67 67 GLY H H 1 7.110 0.02 . 1 . . . . A 67 GLY H . 34736 1 456 . 1 . 1 67 67 GLY HA2 H 1 3.960 0.02 . 2 . . . . A 67 GLY HA2 . 34736 1 457 . 1 . 1 67 67 GLY HA3 H 1 3.700 0.02 . 2 . . . . A 67 GLY HA3 . 34736 1 458 . 1 . 1 68 68 ALA H H 1 8.440 0.02 . 1 . . . . A 68 ALA H . 34736 1 459 . 1 . 1 68 68 ALA HA H 1 4.760 0.02 . 1 . . . . A 68 ALA HA . 34736 1 460 . 1 . 1 68 68 ALA HB1 H 1 1.470 0.02 . 1 . . . . A 68 ALA HB1 . 34736 1 461 . 1 . 1 68 68 ALA HB2 H 1 1.470 0.02 . 1 . . . . A 68 ALA HB2 . 34736 1 462 . 1 . 1 68 68 ALA HB3 H 1 1.470 0.02 . 1 . . . . A 68 ALA HB3 . 34736 1 463 . 1 . 1 68 68 ALA N N 15 122.400 0.30 . 1 . . . . A 68 ALA N . 34736 1 464 . 1 . 1 69 69 THR H H 1 7.610 0.02 . 1 . . . . A 69 THR H . 34736 1 465 . 1 . 1 69 69 THR HA H 1 4.760 0.02 . 1 . . . . A 69 THR HA . 34736 1 466 . 1 . 1 69 69 THR HB H 1 4.690 0.02 . 1 . . . . A 69 THR HB . 34736 1 467 . 1 . 1 69 69 THR HG21 H 1 1.280 0.02 . 1 . . . . A 69 THR HG1 . 34736 1 468 . 1 . 1 69 69 THR HG22 H 1 1.280 0.02 . 1 . . . . A 69 THR HG1 . 34736 1 469 . 1 . 1 69 69 THR HG23 H 1 1.280 0.02 . 1 . . . . A 69 THR HG1 . 34736 1 470 . 1 . 1 69 69 THR N N 15 105.900 0.30 . 1 . . . . A 69 THR N . 34736 1 471 . 1 . 1 70 70 ALA H H 1 9.010 0.02 . 1 . . . . A 70 ALA H . 34736 1 472 . 1 . 1 70 70 ALA HA H 1 4.140 0.02 . 1 . . . . A 70 ALA HA . 34736 1 473 . 1 . 1 70 70 ALA HB1 H 1 1.500 0.02 . 1 . . . . A 70 ALA HB1 . 34736 1 474 . 1 . 1 70 70 ALA HB2 H 1 1.500 0.02 . 1 . . . . A 70 ALA HB2 . 34736 1 475 . 1 . 1 70 70 ALA HB3 H 1 1.500 0.02 . 1 . . . . A 70 ALA HB3 . 34736 1 476 . 1 . 1 70 70 ALA N N 15 127.600 0.30 . 1 . . . . A 70 ALA N . 34736 1 477 . 1 . 1 71 71 GLN H H 1 8.580 0.02 . 1 . . . . A 71 GLN H . 34736 1 478 . 1 . 1 71 71 GLN HA H 1 4.250 0.02 . 1 . . . . A 71 GLN HA . 34736 1 479 . 1 . 1 71 71 GLN HB2 H 1 2.200 0.02 . 2 . . . . A 71 GLN HB2 . 34736 1 480 . 1 . 1 71 71 GLN HB3 H 1 2.090 0.02 . 2 . . . . A 71 GLN HB3 . 34736 1 481 . 1 . 1 71 71 GLN HG2 H 1 2.490 0.02 . 2 . . . . A 71 GLN HG2 . 34736 1 482 . 1 . 1 71 71 GLN HG3 H 1 2.490 0.02 . 2 . . . . A 71 GLN HG3 . 34736 1 483 . 1 . 1 71 71 GLN N N 15 118.100 0.30 . 1 . . . . A 71 GLN N . 34736 1 484 . 1 . 1 72 72 GLN H H 1 7.860 0.02 . 1 . . . . A 72 GLN H . 34736 1 485 . 1 . 1 72 72 GLN HA H 1 4.140 0.02 . 1 . . . . A 72 GLN HA . 34736 1 486 . 1 . 1 72 72 GLN HB2 H 1 2.560 0.02 . 4 . . . . A 72 GLN HB2 . 34736 1 487 . 1 . 1 72 72 GLN HB3 H 1 2.340 0.02 . 4 . . . . A 72 GLN HB3 . 34736 1 488 . 1 . 1 72 72 GLN N N 15 121.300 0.30 . 1 . . . . A 72 GLN N . 34736 1 489 . 1 . 1 73 73 PHE H H 1 8.500 0.02 . 1 . . . . A 73 PHE H . 34736 1 490 . 1 . 1 73 73 PHE HA H 1 4.580 0.02 . 1 . . . . A 73 PHE HA . 34736 1 491 . 1 . 1 73 73 PHE HB2 H 1 3.480 0.02 . 2 . . . . A 73 PHE HB2 . 34736 1 492 . 1 . 1 73 73 PHE HB3 H 1 3.300 0.02 . 2 . . . . A 73 PHE HB3 . 34736 1 493 . 1 . 1 73 73 PHE N N 15 125.200 0.30 . 1 . . . . A 73 PHE N . 34736 1 494 . 1 . 1 74 74 HIS H H 1 8.500 0.02 . 1 . . . . A 74 HIS H . 34736 1 495 . 1 . 1 74 74 HIS HA H 1 4.290 0.02 . 1 . . . . A 74 HIS HA . 34736 1 496 . 1 . 1 74 74 HIS HB2 H 1 3.370 0.02 . 2 . . . . A 74 HIS HB2 . 34736 1 497 . 1 . 1 74 74 HIS HB3 H 1 3.370 0.02 . 2 . . . . A 74 HIS HB3 . 34736 1 498 . 1 . 1 74 74 HIS N N 15 118.100 0.30 . 1 . . . . A 74 HIS N . 34736 1 499 . 1 . 1 75 75 ARG H H 1 8.260 0.02 . 1 . . . . A 75 ARG H . 34736 1 500 . 1 . 1 75 75 ARG HA H 1 4.070 0.02 . 1 . . . . A 75 ARG HA . 34736 1 501 . 1 . 1 75 75 ARG HB2 H 1 2.120 0.02 . 2 . . . . A 75 ARG HB2 . 34736 1 502 . 1 . 1 75 75 ARG HB3 H 1 2.020 0.02 . 2 . . . . A 75 ARG HB3 . 34736 1 503 . 1 . 1 75 75 ARG HG2 H 1 1.800 0.02 . 2 . . . . A 75 ARG HG2 . 34736 1 504 . 1 . 1 75 75 ARG HG3 H 1 1.800 0.02 . 2 . . . . A 75 ARG HG3 . 34736 1 505 . 1 . 1 75 75 ARG HD2 H 1 3.370 0.02 . 2 . . . . A 75 ARG HD2 . 34736 1 506 . 1 . 1 75 75 ARG HD3 H 1 3.300 0.02 . 2 . . . . A 75 ARG HD3 . 34736 1 507 . 1 . 1 75 75 ARG N N 15 120.600 0.30 . 1 . . . . A 75 ARG N . 34736 1 508 . 1 . 1 76 76 HIS H H 1 8.360 0.02 . 1 . . . . A 76 HIS H . 34736 1 509 . 1 . 1 76 76 HIS HA H 1 4.610 0.02 . 1 . . . . A 76 HIS HA . 34736 1 510 . 1 . 1 76 76 HIS HB2 H 1 3.330 0.02 . 2 . . . . A 76 HIS HB2 . 34736 1 511 . 1 . 1 76 76 HIS HB3 H 1 3.220 0.02 . 2 . . . . A 76 HIS HB3 . 34736 1 512 . 1 . 1 76 76 HIS N N 15 122.300 0.30 . 1 . . . . A 76 HIS N . 34736 1 513 . 1 . 1 77 77 LYS H H 1 8.170 0.02 . 1 . . . . A 77 LYS H . 34736 1 514 . 1 . 1 77 77 LYS HA H 1 3.660 0.02 . 1 . . . . A 77 LYS HA . 34736 1 515 . 1 . 1 77 77 LYS HB2 H 1 1.870 0.02 . 4 . . . . A 77 LYS HB2 . 34736 1 516 . 1 . 1 77 77 LYS HB3 H 1 1.720 0.02 . 4 . . . . A 77 LYS HB3 . 34736 1 517 . 1 . 1 77 77 LYS HG2 H 1 1.430 0.02 . 4 . . . . A 77 LYS HG2 . 34736 1 518 . 1 . 1 77 77 LYS HG3 H 1 1.430 0.02 . 4 . . . . A 77 LYS HG3 . 34736 1 519 . 1 . 1 77 77 LYS N N 15 118.300 0.30 . 1 . . . . A 77 LYS N . 34736 1 520 . 1 . 1 78 78 GLN H H 1 7.900 0.02 . 1 . . . . A 78 GLN H . 34736 1 521 . 1 . 1 78 78 GLN HA H 1 3.770 0.02 . 1 . . . . A 78 GLN HA . 34736 1 522 . 1 . 1 78 78 GLN HG2 H 1 1.940 0.02 . 4 . . . . A 78 GLN HG2 . 34736 1 523 . 1 . 1 78 78 GLN HG3 H 1 1.870 0.02 . 4 . . . . A 78 GLN HG3 . 34736 1 524 . 1 . 1 78 78 GLN N N 15 119.700 0.30 . 1 . . . . A 78 GLN N . 34736 1 525 . 1 . 1 79 79 LEU H H 1 7.920 0.02 . 1 . . . . A 79 LEU H . 34736 1 526 . 1 . 1 79 79 LEU HA H 1 4.070 0.02 . 1 . . . . A 79 LEU HA . 34736 1 527 . 1 . 1 79 79 LEU HB2 H 1 1.760 0.02 . 2 . . . . A 79 LEU HB2 . 34736 1 528 . 1 . 1 79 79 LEU HB3 H 1 1.760 0.02 . 2 . . . . A 79 LEU HB3 . 34736 1 529 . 1 . 1 79 79 LEU HG H 1 2.270 0.02 . 1 . . . . A 79 LEU HG . 34736 1 530 . 1 . 1 79 79 LEU HD11 H 1 1.030 0.02 . 2 . . . . A 79 LEU HD11 . 34736 1 531 . 1 . 1 79 79 LEU HD12 H 1 1.030 0.02 . 2 . . . . A 79 LEU HD12 . 34736 1 532 . 1 . 1 79 79 LEU HD13 H 1 1.030 0.02 . 2 . . . . A 79 LEU HD13 . 34736 1 533 . 1 . 1 79 79 LEU HD21 H 1 0.950 0.02 . 2 . . . . A 79 LEU HD21 . 34736 1 534 . 1 . 1 79 79 LEU HD22 H 1 0.950 0.02 . 2 . . . . A 79 LEU HD22 . 34736 1 535 . 1 . 1 79 79 LEU HD23 H 1 0.950 0.02 . 2 . . . . A 79 LEU HD23 . 34736 1 536 . 1 . 1 79 79 LEU N N 15 123.600 0.30 . 1 . . . . A 79 LEU N . 34736 1 537 . 1 . 1 80 80 ILE H H 1 8.100 0.02 . 1 . . . . A 80 ILE H . 34736 1 538 . 1 . 1 80 80 ILE HA H 1 3.840 0.02 . 1 . . . . A 80 ILE HA . 34736 1 539 . 1 . 1 80 80 ILE HB H 1 2.090 0.02 . 1 . . . . A 80 ILE HB . 34736 1 540 . 1 . 1 80 80 ILE HG12 H 1 1.430 0.02 . 2 . . . . A 80 ILE HG12 . 34736 1 541 . 1 . 1 80 80 ILE HG13 H 1 1.060 0.02 . 2 . . . . A 80 ILE HG13 . 34736 1 542 . 1 . 1 80 80 ILE HG21 H 1 0.920 0.02 . 1 . . . . A 80 ILE HG21 . 34736 1 543 . 1 . 1 80 80 ILE HG22 H 1 0.920 0.02 . 1 . . . . A 80 ILE HG22 . 34736 1 544 . 1 . 1 80 80 ILE HG23 H 1 0.920 0.02 . 1 . . . . A 80 ILE HG23 . 34736 1 545 . 1 . 1 80 80 ILE HD11 H 1 0.770 0.02 . 1 . . . . A 80 ILE HD11 . 34736 1 546 . 1 . 1 80 80 ILE HD12 H 1 0.770 0.02 . 1 . . . . A 80 ILE HD12 . 34736 1 547 . 1 . 1 80 80 ILE HD13 H 1 0.770 0.02 . 1 . . . . A 80 ILE HD13 . 34736 1 548 . 1 . 1 80 80 ILE N N 15 117.300 0.30 . 1 . . . . A 80 ILE N . 34736 1 549 . 1 . 1 81 81 ARG H H 1 7.860 0.02 . 1 . . . . A 81 ARG H . 34736 1 550 . 1 . 1 81 81 ARG HA H 1 3.810 0.02 . 1 . . . . A 81 ARG HA . 34736 1 551 . 1 . 1 81 81 ARG HB2 H 1 2.090 0.02 . 2 . . . . A 81 ARG HB2 . 34736 1 552 . 1 . 1 81 81 ARG HB3 H 1 1.800 0.02 . 2 . . . . A 81 ARG HB3 . 34736 1 553 . 1 . 1 81 81 ARG HG2 H 1 1.390 0.02 . 2 . . . . A 81 ARG HG2 . 34736 1 554 . 1 . 1 81 81 ARG HG3 H 1 1.390 0.02 . 2 . . . . A 81 ARG HG3 . 34736 1 555 . 1 . 1 81 81 ARG HD2 H 1 3.080 0.02 . 2 . . . . A 81 ARG HD2 . 34736 1 556 . 1 . 1 81 81 ARG HD3 H 1 2.970 0.02 . 2 . . . . A 81 ARG HD3 . 34736 1 557 . 1 . 1 81 81 ARG N N 15 120.600 0.30 . 1 . . . . A 81 ARG N . 34736 1 558 . 1 . 1 82 82 PHE H H 1 8.570 0.02 . 1 . . . . A 82 PHE H . 34736 1 559 . 1 . 1 82 82 PHE HA H 1 4.470 0.02 . 1 . . . . A 82 PHE HA . 34736 1 560 . 1 . 1 82 82 PHE HB2 H 1 3.440 0.02 . 2 . . . . A 82 PHE HB2 . 34736 1 561 . 1 . 1 82 82 PHE HB3 H 1 2.970 0.02 . 2 . . . . A 82 PHE HB3 . 34736 1 562 . 1 . 1 82 82 PHE N N 15 120.200 0.30 . 1 . . . . A 82 PHE N . 34736 1 563 . 1 . 1 83 83 LEU H H 1 8.840 0.02 . 1 . . . . A 83 LEU H . 34736 1 564 . 1 . 1 83 83 LEU HA H 1 4.140 0.02 . 1 . . . . A 83 LEU HA . 34736 1 565 . 1 . 1 83 83 LEU HB2 H 1 2.380 0.02 . 2 . . . . A 83 LEU HB2 . 34736 1 566 . 1 . 1 83 83 LEU HB3 H 1 2.270 0.02 . 2 . . . . A 83 LEU HB3 . 34736 1 567 . 1 . 1 83 83 LEU HG H 1 1.610 0.02 . 1 . . . . A 83 LEU HG . 34736 1 568 . 1 . 1 83 83 LEU HD11 H 1 1.060 0.02 . 2 . . . . A 83 LEU HD11 . 34736 1 569 . 1 . 1 83 83 LEU HD12 H 1 1.060 0.02 . 2 . . . . A 83 LEU HD12 . 34736 1 570 . 1 . 1 83 83 LEU HD13 H 1 1.060 0.02 . 2 . . . . A 83 LEU HD13 . 34736 1 571 . 1 . 1 83 83 LEU HD21 H 1 0.990 0.02 . 2 . . . . A 83 LEU HD21 . 34736 1 572 . 1 . 1 83 83 LEU HD22 H 1 0.990 0.02 . 2 . . . . A 83 LEU HD22 . 34736 1 573 . 1 . 1 83 83 LEU HD23 H 1 0.990 0.02 . 2 . . . . A 83 LEU HD23 . 34736 1 574 . 1 . 1 83 83 LEU N N 15 121.800 0.30 . 1 . . . . A 83 LEU N . 34736 1 575 . 1 . 1 84 84 LYS H H 1 8.160 0.02 . 1 . . . . A 84 LYS H . 34736 1 576 . 1 . 1 84 84 LYS HA H 1 3.810 0.02 . 1 . . . . A 84 LYS HA . 34736 1 577 . 1 . 1 84 84 LYS N N 15 120.200 0.30 . 1 . . . . A 84 LYS N . 34736 1 578 . 1 . 1 85 85 ARG H H 1 7.680 0.02 . 1 . . . . A 85 ARG H . 34736 1 579 . 1 . 1 85 85 ARG HA H 1 4.030 0.02 . 1 . . . . A 85 ARG HA . 34736 1 580 . 1 . 1 85 85 ARG HB2 H 1 2.020 0.02 . 2 . . . . A 85 ARG HB2 . 34736 1 581 . 1 . 1 85 85 ARG HB3 H 1 2.020 0.02 . 2 . . . . A 85 ARG HB3 . 34736 1 582 . 1 . 1 85 85 ARG HG2 H 1 1.760 0.02 . 2 . . . . A 85 ARG HG2 . 34736 1 583 . 1 . 1 85 85 ARG HG3 H 1 1.650 0.02 . 2 . . . . A 85 ARG HG3 . 34736 1 584 . 1 . 1 85 85 ARG HD2 H 1 3.190 0.02 . 2 . . . . A 85 ARG HD2 . 34736 1 585 . 1 . 1 85 85 ARG HD3 H 1 3.190 0.02 . 2 . . . . A 85 ARG HD3 . 34736 1 586 . 1 . 1 85 85 ARG N N 15 122.100 0.30 . 1 . . . . A 85 ARG N . 34736 1 587 . 1 . 1 86 86 LEU H H 1 8.560 0.02 . 1 . . . . A 86 LEU H . 34736 1 588 . 1 . 1 86 86 LEU HA H 1 4.100 0.02 . 1 . . . . A 86 LEU HA . 34736 1 589 . 1 . 1 86 86 LEU HB2 H 1 1.800 0.02 . 4 . . . . A 86 LEU HB2 . 34736 1 590 . 1 . 1 86 86 LEU HB3 H 1 1.800 0.02 . 4 . . . . A 86 LEU HB3 . 34736 1 591 . 1 . 1 86 86 LEU HG H 1 1.720 0.02 . 1 . . . . A 86 LEU HG . 34736 1 592 . 1 . 1 86 86 LEU HD11 H 1 0.920 0.02 . 4 . . . . A 86 LEU HD11 . 34736 1 593 . 1 . 1 86 86 LEU HD12 H 1 0.920 0.02 . 4 . . . . A 86 LEU HD12 . 34736 1 594 . 1 . 1 86 86 LEU HD13 H 1 0.920 0.02 . 4 . . . . A 86 LEU HD13 . 34736 1 595 . 1 . 1 86 86 LEU HD21 H 1 0.880 0.02 . 4 . . . . A 86 LEU HD21 . 34736 1 596 . 1 . 1 86 86 LEU HD22 H 1 0.880 0.02 . 4 . . . . A 86 LEU HD22 . 34736 1 597 . 1 . 1 86 86 LEU HD23 H 1 0.880 0.02 . 4 . . . . A 86 LEU HD23 . 34736 1 598 . 1 . 1 86 86 LEU N N 15 121.900 0.30 . 1 . . . . A 86 LEU N . 34736 1 599 . 1 . 1 87 87 ASP H H 1 8.390 0.02 . 1 . . . . A 87 ASP H . 34736 1 600 . 1 . 1 87 87 ASP HA H 1 4.290 0.02 . 1 . . . . A 87 ASP HA . 34736 1 601 . 1 . 1 87 87 ASP HB2 H 1 3.330 0.02 . 2 . . . . A 87 ASP HB2 . 34736 1 602 . 1 . 1 87 87 ASP HB3 H 1 3.190 0.02 . 2 . . . . A 87 ASP HB3 . 34736 1 603 . 1 . 1 87 87 ASP N N 15 118.300 0.30 . 1 . . . . A 87 ASP N . 34736 1 604 . 1 . 1 88 88 ARG H H 1 7.650 0.02 . 1 . . . . A 88 ARG H . 34736 1 605 . 1 . 1 88 88 ARG HA H 1 4.070 0.02 . 1 . . . . A 88 ARG HA . 34736 1 606 . 1 . 1 88 88 ARG HB2 H 1 2.010 0.02 . 2 . . . . A 88 ARG HB2 . 34736 1 607 . 1 . 1 88 88 ARG HB3 H 1 2.010 0.02 . 2 . . . . A 88 ARG HB3 . 34736 1 608 . 1 . 1 88 88 ARG HG2 H 1 1.790 0.02 . 2 . . . . A 88 ARG HG2 . 34736 1 609 . 1 . 1 88 88 ARG HG3 H 1 1.720 0.02 . 2 . . . . A 88 ARG HG3 . 34736 1 610 . 1 . 1 88 88 ARG N N 15 115.300 0.30 . 1 . . . . A 88 ARG N . 34736 1 611 . 1 . 1 89 89 ASN H H 1 8.230 0.02 . 1 . . . . A 89 ASN H . 34736 1 612 . 1 . 1 89 89 ASN HA H 1 4.580 0.02 . 1 . . . . A 89 ASN HA . 34736 1 613 . 1 . 1 89 89 ASN HB2 H 1 2.780 0.02 . 2 . . . . A 89 ASN HB2 . 34736 1 614 . 1 . 1 89 89 ASN HB3 H 1 2.450 0.02 . 2 . . . . A 89 ASN HB3 . 34736 1 615 . 1 . 1 89 89 ASN N N 15 117.800 0.30 . 1 . . . . A 89 ASN N . 34736 1 616 . 1 . 1 90 90 LEU H H 1 8.790 0.02 . 1 . . . . A 90 LEU H . 34736 1 617 . 1 . 1 90 90 LEU HA H 1 3.840 0.02 . 1 . . . . A 90 LEU HA . 34736 1 618 . 1 . 1 90 90 LEU HB2 H 1 2.160 0.02 . 2 . . . . A 90 LEU HB2 . 34736 1 619 . 1 . 1 90 90 LEU HB3 H 1 1.650 0.02 . 2 . . . . A 90 LEU HB3 . 34736 1 620 . 1 . 1 90 90 LEU HG H 1 1.750 0.02 . 1 . . . . A 90 LEU HG . 34736 1 621 . 1 . 1 90 90 LEU HD11 H 1 0.840 0.02 . 2 . . . . A 90 LEU HD11 . 34736 1 622 . 1 . 1 90 90 LEU HD12 H 1 0.840 0.02 . 2 . . . . A 90 LEU HD12 . 34736 1 623 . 1 . 1 90 90 LEU HD13 H 1 0.840 0.02 . 2 . . . . A 90 LEU HD13 . 34736 1 624 . 1 . 1 90 90 LEU HD21 H 1 0.660 0.02 . 2 . . . . A 90 LEU HD21 . 34736 1 625 . 1 . 1 90 90 LEU HD22 H 1 0.660 0.02 . 2 . . . . A 90 LEU HD22 . 34736 1 626 . 1 . 1 90 90 LEU HD23 H 1 0.660 0.02 . 2 . . . . A 90 LEU HD23 . 34736 1 627 . 1 . 1 90 90 LEU N N 15 123.300 0.30 . 1 . . . . A 90 LEU N . 34736 1 628 . 1 . 1 91 91 TRP H H 1 9.150 0.02 . 1 . . . . A 91 TRP H . 34736 1 629 . 1 . 1 91 91 TRP HA H 1 4.250 0.02 . 1 . . . . A 91 TRP HA . 34736 1 630 . 1 . 1 91 91 TRP HB2 H 1 3.370 0.02 . 2 . . . . A 91 TRP HB2 . 34736 1 631 . 1 . 1 91 91 TRP HB3 H 1 3.370 0.02 . 2 . . . . A 91 TRP HB3 . 34736 1 632 . 1 . 1 91 91 TRP N N 15 120.100 0.30 . 1 . . . . A 91 TRP N . 34736 1 633 . 1 . 1 92 92 GLY H H 1 8.050 0.02 . 1 . . . . A 92 GLY H . 34736 1 634 . 1 . 1 92 92 GLY HA2 H 1 4.030 0.02 . 2 . . . . A 92 GLY HA2 . 34736 1 635 . 1 . 1 92 92 GLY HA3 H 1 3.850 0.02 . 2 . . . . A 92 GLY HA3 . 34736 1 636 . 1 . 1 92 92 GLY N N 15 103.700 0.30 . 1 . . . . A 92 GLY N . 34736 1 637 . 1 . 1 93 93 LEU H H 1 7.680 0.02 . 1 . . . . A 93 LEU H . 34736 1 638 . 1 . 1 93 93 LEU HA H 1 4.180 0.02 . 1 . . . . A 93 LEU HA . 34736 1 639 . 1 . 1 93 93 LEU HB2 H 1 2.010 0.02 . 2 . . . . A 93 LEU HB2 . 34736 1 640 . 1 . 1 93 93 LEU HB3 H 1 1.540 0.02 . 2 . . . . A 93 LEU HB3 . 34736 1 641 . 1 . 1 93 93 LEU HG H 1 1.650 0.02 . 1 . . . . A 93 LEU HG . 34736 1 642 . 1 . 1 93 93 LEU HD11 H 1 0.590 0.02 . 2 . . . . A 93 LEU HD11 . 34736 1 643 . 1 . 1 93 93 LEU HD12 H 1 0.590 0.02 . 2 . . . . A 93 LEU HD12 . 34736 1 644 . 1 . 1 93 93 LEU HD13 H 1 0.590 0.02 . 2 . . . . A 93 LEU HD13 . 34736 1 645 . 1 . 1 93 93 LEU HD21 H 1 0.590 0.02 . 2 . . . . A 93 LEU HD21 . 34736 1 646 . 1 . 1 93 93 LEU HD22 H 1 0.590 0.02 . 2 . . . . A 93 LEU HD22 . 34736 1 647 . 1 . 1 93 93 LEU HD23 H 1 0.590 0.02 . 2 . . . . A 93 LEU HD23 . 34736 1 648 . 1 . 1 93 93 LEU N N 15 122.700 0.30 . 1 . . . . A 93 LEU N . 34736 1 649 . 1 . 1 94 94 ALA H H 1 7.960 0.02 . 1 . . . . A 94 ALA H . 34736 1 650 . 1 . 1 94 94 ALA HA H 1 4.210 0.02 . 1 . . . . A 94 ALA HA . 34736 1 651 . 1 . 1 94 94 ALA HB1 H 1 1.580 0.02 . 1 . . . . A 94 ALA HB1 . 34736 1 652 . 1 . 1 94 94 ALA HB2 H 1 1.580 0.02 . 1 . . . . A 94 ALA HB2 . 34736 1 653 . 1 . 1 94 94 ALA HB3 H 1 1.580 0.02 . 1 . . . . A 94 ALA HB3 . 34736 1 654 . 1 . 1 94 94 ALA N N 15 121.300 0.30 . 1 . . . . A 94 ALA N . 34736 1 655 . 1 . 1 95 95 GLY H H 1 7.580 0.02 . 1 . . . . A 95 GLY H . 34736 1 656 . 1 . 1 95 95 GLY HA2 H 1 3.810 0.02 . 2 . . . . A 95 GLY HA2 . 34736 1 657 . 1 . 1 95 95 GLY HA3 H 1 3.700 0.02 . 2 . . . . A 95 GLY HA3 . 34736 1 658 . 1 . 1 95 95 GLY N N 15 110.500 0.30 . 1 . . . . A 95 GLY N . 34736 1 659 . 1 . 1 96 96 LEU H H 1 7.590 0.02 . 1 . . . . A 96 LEU H . 34736 1 660 . 1 . 1 96 96 LEU HA H 1 4.400 0.02 . 1 . . . . A 96 LEU HA . 34736 1 661 . 1 . 1 96 96 LEU HB2 H 1 1.430 0.02 . 2 . . . . A 96 LEU HB2 . 34736 1 662 . 1 . 1 96 96 LEU HB3 H 1 1.430 0.02 . 2 . . . . A 96 LEU HB3 . 34736 1 663 . 1 . 1 96 96 LEU HG H 1 1.610 0.02 . 1 . . . . A 96 LEU HG . 34736 1 664 . 1 . 1 96 96 LEU HD11 H 1 0.840 0.02 . 2 . . . . A 96 LEU HD11 . 34736 1 665 . 1 . 1 96 96 LEU HD12 H 1 0.840 0.02 . 2 . . . . A 96 LEU HD12 . 34736 1 666 . 1 . 1 96 96 LEU HD13 H 1 0.840 0.02 . 2 . . . . A 96 LEU HD13 . 34736 1 667 . 1 . 1 96 96 LEU HD21 H 1 0.840 0.02 . 2 . . . . A 96 LEU HD21 . 34736 1 668 . 1 . 1 96 96 LEU HD22 H 1 0.840 0.02 . 2 . . . . A 96 LEU HD22 . 34736 1 669 . 1 . 1 96 96 LEU HD23 H 1 0.840 0.02 . 2 . . . . A 96 LEU HD23 . 34736 1 670 . 1 . 1 96 96 LEU N N 15 119.800 0.30 . 1 . . . . A 96 LEU N . 34736 1 671 . 1 . 1 97 97 ASN H H 1 8.500 0.02 . 1 . . . . A 97 ASN H . 34736 1 672 . 1 . 1 97 97 ASN HA H 1 4.870 0.02 . 1 . . . . A 97 ASN HA . 34736 1 673 . 1 . 1 97 97 ASN HB2 H 1 2.750 0.02 . 2 . . . . A 97 ASN HB2 . 34736 1 674 . 1 . 1 97 97 ASN HB3 H 1 2.750 0.02 . 2 . . . . A 97 ASN HB3 . 34736 1 675 . 1 . 1 97 97 ASN N N 15 118.100 0.30 . 1 . . . . A 97 ASN N . 34736 1 676 . 1 . 1 98 98 SER H H 1 7.530 0.02 . 1 . . . . A 98 SER H . 34736 1 677 . 1 . 1 98 98 SER HA H 1 4.650 0.02 . 1 . . . . A 98 SER HA . 34736 1 678 . 1 . 1 98 98 SER HB2 H 1 3.850 0.02 . 2 . . . . A 98 SER HB2 . 34736 1 679 . 1 . 1 98 98 SER HB3 H 1 3.850 0.02 . 2 . . . . A 98 SER HB3 . 34736 1 680 . 1 . 1 98 98 SER N N 15 111.400 0.30 . 1 . . . . A 98 SER N . 34736 1 681 . 1 . 1 99 99 CYS H H 1 9.030 0.02 . 1 . . . . A 99 CYS H . 34736 1 682 . 1 . 1 99 99 CYS HA H 1 4.950 0.02 . 1 . . . . A 99 CYS HA . 34736 1 683 . 1 . 1 99 99 CYS HB2 H 1 3.550 0.02 . 2 . . . . A 99 CYS HB2 . 34736 1 684 . 1 . 1 99 99 CYS HB3 H 1 3.660 0.02 . 2 . . . . A 99 CYS HB3 . 34736 1 685 . 1 . 1 99 99 CYS N N 15 119.900 0.30 . 1 . . . . A 99 CYS N . 34736 1 686 . 1 . 1 100 100 PRO HB2 H 1 2.230 0.02 . 2 . . . . A 100 PRO HB2 . 34736 1 687 . 1 . 1 100 100 PRO HB3 H 1 1.800 0.02 . 2 . . . . A 100 PRO HB3 . 34736 1 688 . 1 . 1 100 100 PRO HG2 H 1 2.010 0.02 . 2 . . . . A 100 PRO HG2 . 34736 1 689 . 1 . 1 100 100 PRO HG3 H 1 1.980 0.02 . 2 . . . . A 100 PRO HG3 . 34736 1 690 . 1 . 1 101 101 VAL H H 1 8.480 0.02 . 1 . . . . A 101 VAL H . 34736 1 691 . 1 . 1 101 101 VAL HA H 1 4.320 0.02 . 1 . . . . A 101 VAL HA . 34736 1 692 . 1 . 1 101 101 VAL HB H 1 1.940 0.02 . 1 . . . . A 101 VAL HB . 34736 1 693 . 1 . 1 101 101 VAL HG11 H 1 0.990 0.02 . 2 . . . . A 101 VAL HG11 . 34736 1 694 . 1 . 1 101 101 VAL HG12 H 1 0.990 0.02 . 2 . . . . A 101 VAL HG12 . 34736 1 695 . 1 . 1 101 101 VAL HG13 H 1 0.990 0.02 . 2 . . . . A 101 VAL HG13 . 34736 1 696 . 1 . 1 101 101 VAL HG21 H 1 0.810 0.02 . 2 . . . . A 101 VAL HG21 . 34736 1 697 . 1 . 1 101 101 VAL HG22 H 1 0.810 0.02 . 2 . . . . A 101 VAL HG22 . 34736 1 698 . 1 . 1 101 101 VAL HG23 H 1 0.810 0.02 . 2 . . . . A 101 VAL HG23 . 34736 1 699 . 1 . 1 101 101 VAL N N 15 124.900 0.30 . 1 . . . . A 101 VAL N . 34736 1 700 . 1 . 1 102 102 LYS H H 1 8.580 0.02 . 1 . . . . A 102 LYS H . 34736 1 701 . 1 . 1 102 102 LYS HA H 1 4.400 0.02 . 1 . . . . A 102 LYS HA . 34736 1 702 . 1 . 1 102 102 LYS HB2 H 1 1.800 0.02 . 2 . . . . A 102 LYS HB2 . 34736 1 703 . 1 . 1 102 102 LYS HB3 H 1 1.650 0.02 . 2 . . . . A 102 LYS HB3 . 34736 1 704 . 1 . 1 102 102 LYS HG2 H 1 1.360 0.02 . 2 . . . . A 102 LYS HG2 . 34736 1 705 . 1 . 1 102 102 LYS HG3 H 1 1.360 0.02 . 2 . . . . A 102 LYS HG3 . 34736 1 706 . 1 . 1 102 102 LYS N N 15 131.900 0.30 . 1 . . . . A 102 LYS N . 34736 1 707 . 1 . 1 103 103 GLU H H 1 8.330 0.02 . 1 . . . . A 103 GLU H . 34736 1 708 . 1 . 1 103 103 GLU HA H 1 4.210 0.02 . 1 . . . . A 103 GLU HA . 34736 1 709 . 1 . 1 103 103 GLU HB2 H 1 1.910 0.02 . 2 . . . . A 103 GLU HB2 . 34736 1 710 . 1 . 1 103 103 GLU HB3 H 1 1.910 0.02 . 2 . . . . A 103 GLU HB3 . 34736 1 711 . 1 . 1 103 103 GLU HG2 H 1 2.230 0.02 . 2 . . . . A 103 GLU HG2 . 34736 1 712 . 1 . 1 103 103 GLU HG3 H 1 2.230 0.02 . 2 . . . . A 103 GLU HG3 . 34736 1 713 . 1 . 1 103 103 GLU N N 15 125.800 0.30 . 1 . . . . A 103 GLU N . 34736 1 714 . 1 . 1 104 104 ALA H H 1 8.180 0.02 . 1 . . . . A 104 ALA H . 34736 1 715 . 1 . 1 104 104 ALA HA H 1 4.470 0.02 . 1 . . . . A 104 ALA HA . 34736 1 716 . 1 . 1 104 104 ALA HB1 H 1 1.390 0.02 . 1 . . . . A 104 ALA HB1 . 34736 1 717 . 1 . 1 104 104 ALA HB2 H 1 1.390 0.02 . 1 . . . . A 104 ALA HB2 . 34736 1 718 . 1 . 1 104 104 ALA HB3 H 1 1.390 0.02 . 1 . . . . A 104 ALA HB3 . 34736 1 719 . 1 . 1 104 104 ALA N N 15 128.300 0.30 . 1 . . . . A 104 ALA N . 34736 1 720 . 1 . 1 105 105 ASN H H 1 8.360 0.02 . 1 . . . . A 105 ASN H . 34736 1 721 . 1 . 1 105 105 ASN HA H 1 4.690 0.02 . 1 . . . . A 105 ASN HA . 34736 1 722 . 1 . 1 105 105 ASN HB2 H 1 2.960 0.02 . 2 . . . . A 105 ASN HB2 . 34736 1 723 . 1 . 1 105 105 ASN HB3 H 1 2.780 0.02 . 2 . . . . A 105 ASN HB3 . 34736 1 724 . 1 . 1 105 105 ASN N N 15 119.000 0.30 . 1 . . . . A 105 ASN N . 34736 1 725 . 1 . 1 106 106 GLN H H 1 8.790 0.02 . 1 . . . . A 106 GLN H . 34736 1 726 . 1 . 1 106 106 GLN HB3 H 1 2.050 0.02 . 2 . . . . A 106 GLN HB3 . 34736 1 727 . 1 . 1 106 106 GLN HG2 H 1 2.340 0.02 . 2 . . . . A 106 GLN HG2 . 34736 1 728 . 1 . 1 106 106 GLN HG3 H 1 2.340 0.02 . 2 . . . . A 106 GLN HG3 . 34736 1 729 . 1 . 1 106 106 GLN N N 15 120.600 0.30 . 1 . . . . A 106 GLN N . 34736 1 730 . 1 . 1 107 107 SER H H 1 9.180 0.02 . 1 . . . . A 107 SER H . 34736 1 731 . 1 . 1 107 107 SER HA H 1 5.090 0.02 . 1 . . . . A 107 SER HA . 34736 1 732 . 1 . 1 107 107 SER HB2 H 1 3.700 0.02 . 2 . . . . A 107 SER HB2 . 34736 1 733 . 1 . 1 107 107 SER HB3 H 1 3.700 0.02 . 2 . . . . A 107 SER HB3 . 34736 1 734 . 1 . 1 107 107 SER N N 15 116.500 0.30 . 1 . . . . A 107 SER N . 34736 1 735 . 1 . 1 108 108 THR H H 1 8.990 0.02 . 1 . . . . A 108 THR H . 34736 1 736 . 1 . 1 108 108 THR HA H 1 4.760 0.02 . 1 . . . . A 108 THR HA . 34736 1 737 . 1 . 1 108 108 THR HB H 1 3.990 0.02 . 1 . . . . A 108 THR HB . 34736 1 738 . 1 . 1 108 108 THR HG21 H 1 1.420 0.02 . 1 . . . . A 108 THR HG1 . 34736 1 739 . 1 . 1 108 108 THR HG22 H 1 1.420 0.02 . 1 . . . . A 108 THR HG1 . 34736 1 740 . 1 . 1 108 108 THR HG23 H 1 1.420 0.02 . 1 . . . . A 108 THR HG1 . 34736 1 741 . 1 . 1 108 108 THR N N 15 113.400 0.30 . 1 . . . . A 108 THR N . 34736 1 742 . 1 . 1 109 109 LEU H H 1 8.910 0.02 . 1 . . . . A 109 LEU H . 34736 1 743 . 1 . 1 109 109 LEU HA H 1 4.430 0.02 . 1 . . . . A 109 LEU HA . 34736 1 744 . 1 . 1 109 109 LEU HB2 H 1 1.790 0.02 . 2 . . . . A 109 LEU HB2 . 34736 1 745 . 1 . 1 109 109 LEU HB3 H 1 0.950 0.02 . 2 . . . . A 109 LEU HB3 . 34736 1 746 . 1 . 1 109 109 LEU HG H 1 1.100 0.02 . 1 . . . . A 109 LEU HG . 34736 1 747 . 1 . 1 109 109 LEU N N 15 126.100 0.30 . 1 . . . . A 109 LEU N . 34736 1 748 . 1 . 1 110 110 GLU H H 1 8.590 0.02 . 1 . . . . A 110 GLU H . 34736 1 749 . 1 . 1 110 110 GLU HA H 1 3.960 0.02 . 1 . . . . A 110 GLU HA . 34736 1 750 . 1 . 1 110 110 GLU HB2 H 1 2.080 0.02 . 2 . . . . A 110 GLU HB2 . 34736 1 751 . 1 . 1 110 110 GLU HB3 H 1 1.940 0.02 . 2 . . . . A 110 GLU HB3 . 34736 1 752 . 1 . 1 110 110 GLU HG2 H 1 2.340 0.02 . 2 . . . . A 110 GLU HG2 . 34736 1 753 . 1 . 1 110 110 GLU HG3 H 1 2.340 0.02 . 2 . . . . A 110 GLU HG3 . 34736 1 754 . 1 . 1 110 110 GLU N N 15 118.100 0.30 . 1 . . . . A 110 GLU N . 34736 1 755 . 1 . 1 111 111 ASN H H 1 7.940 0.02 . 1 . . . . A 111 ASN H . 34736 1 756 . 1 . 1 111 111 ASN HA H 1 4.380 0.02 . 1 . . . . A 111 ASN HA . 34736 1 757 . 1 . 1 111 111 ASN HB2 H 1 2.840 0.02 . 2 . . . . A 111 ASN HB2 . 34736 1 758 . 1 . 1 111 111 ASN HB3 H 1 2.770 0.02 . 2 . . . . A 111 ASN HB3 . 34736 1 759 . 1 . 1 111 111 ASN N N 15 118.600 0.30 . 1 . . . . A 111 ASN N . 34736 1 760 . 1 . 1 112 112 PHE H H 1 8.380 0.02 . 1 . . . . A 112 PHE H . 34736 1 761 . 1 . 1 112 112 PHE HA H 1 4.430 0.02 . 1 . . . . A 112 PHE HA . 34736 1 762 . 1 . 1 112 112 PHE HB2 H 1 3.480 0.02 . 2 . . . . A 112 PHE HB2 . 34736 1 763 . 1 . 1 112 112 PHE HB3 H 1 2.970 0.02 . 2 . . . . A 112 PHE HB3 . 34736 1 764 . 1 . 1 112 112 PHE HD1 H 1 7.220 0.02 . 1 . . . . A 112 PHE HD1 . 34736 1 765 . 1 . 1 112 112 PHE HD2 H 1 7.220 0.02 . 1 . . . . A 112 PHE HD2 . 34736 1 766 . 1 . 1 112 112 PHE N N 15 123.800 0.30 . 1 . . . . A 112 PHE N . 34736 1 767 . 1 . 1 113 113 LEU H H 1 8.930 0.02 . 1 . . . . A 113 LEU H . 34736 1 768 . 1 . 1 113 113 LEU HA H 1 3.920 0.02 . 1 . . . . A 113 LEU HA . 34736 1 769 . 1 . 1 113 113 LEU HB2 H 1 2.090 0.02 . 4 . . . . A 113 LEU HB2 . 34736 1 770 . 1 . 1 113 113 LEU HB3 H 1 1.170 0.02 . 4 . . . . A 113 LEU HB3 . 34736 1 771 . 1 . 1 113 113 LEU HD11 H 1 0.950 0.02 . 2 . . . . A 113 LEU HD11 . 34736 1 772 . 1 . 1 113 113 LEU HD12 H 1 0.950 0.02 . 2 . . . . A 113 LEU HD12 . 34736 1 773 . 1 . 1 113 113 LEU HD13 H 1 0.950 0.02 . 2 . . . . A 113 LEU HD13 . 34736 1 774 . 1 . 1 113 113 LEU HD21 H 1 0.810 0.02 . 2 . . . . A 113 LEU HD21 . 34736 1 775 . 1 . 1 113 113 LEU HD22 H 1 0.810 0.02 . 2 . . . . A 113 LEU HD22 . 34736 1 776 . 1 . 1 113 113 LEU HD23 H 1 0.810 0.02 . 2 . . . . A 113 LEU HD23 . 34736 1 777 . 1 . 1 113 113 LEU N N 15 119.200 0.30 . 1 . . . . A 113 LEU N . 34736 1 778 . 1 . 1 114 114 GLU H H 1 8.030 0.02 . 1 . . . . A 114 GLU H . 34736 1 779 . 1 . 1 114 114 GLU HA H 1 4.070 0.02 . 1 . . . . A 114 GLU HA . 34736 1 780 . 1 . 1 114 114 GLU N N 15 119.900 0.30 . 1 . . . . A 114 GLU N . 34736 1 781 . 1 . 1 115 115 ARG H H 1 7.960 0.02 . 1 . . . . A 115 ARG H . 34736 1 782 . 1 . 1 115 115 ARG HA H 1 3.880 0.02 . 1 . . . . A 115 ARG HA . 34736 1 783 . 1 . 1 115 115 ARG N N 15 122.700 0.30 . 1 . . . . A 115 ARG N . 34736 1 784 . 1 . 1 116 116 LEU H H 1 8.150 0.02 . 1 . . . . A 116 LEU H . 34736 1 785 . 1 . 1 116 116 LEU HA H 1 3.810 0.02 . 1 . . . . A 116 LEU HA . 34736 1 786 . 1 . 1 116 116 LEU N N 15 121.100 0.30 . 1 . . . . A 116 LEU N . 34736 1 787 . 1 . 1 117 117 LYS H H 1 8.460 0.02 . 1 . . . . A 117 LYS H . 34736 1 788 . 1 . 1 117 117 LYS HA H 1 3.630 0.02 . 1 . . . . A 117 LYS HA . 34736 1 789 . 1 . 1 117 117 LYS HB2 H 1 2.120 0.02 . 2 . . . . A 117 LYS HB2 . 34736 1 790 . 1 . 1 117 117 LYS HB3 H 1 1.790 0.02 . 2 . . . . A 117 LYS HB3 . 34736 1 791 . 1 . 1 117 117 LYS N N 15 121.100 0.30 . 1 . . . . A 117 LYS N . 34736 1 792 . 1 . 1 118 118 THR H H 1 7.890 0.02 . 1 . . . . A 118 THR H . 34736 1 793 . 1 . 1 118 118 THR HA H 1 3.810 0.02 . 1 . . . . A 118 THR HA . 34736 1 794 . 1 . 1 118 118 THR HB H 1 4.290 0.02 . 1 . . . . A 118 THR HB . 34736 1 795 . 1 . 1 118 118 THR HG21 H 1 1.210 0.02 . 1 . . . . A 118 THR HG1 . 34736 1 796 . 1 . 1 118 118 THR HG22 H 1 1.210 0.02 . 1 . . . . A 118 THR HG1 . 34736 1 797 . 1 . 1 118 118 THR HG23 H 1 1.210 0.02 . 1 . . . . A 118 THR HG1 . 34736 1 798 . 1 . 1 118 118 THR N N 15 116.800 0.30 . 1 . . . . A 118 THR N . 34736 1 799 . 1 . 1 119 119 ILE H H 1 7.780 0.02 . 1 . . . . A 119 ILE H . 34736 1 800 . 1 . 1 119 119 ILE HA H 1 3.810 0.02 . 1 . . . . A 119 ILE HA . 34736 1 801 . 1 . 1 119 119 ILE HB H 1 1.910 0.02 . 1 . . . . A 119 ILE HB . 34736 1 802 . 1 . 1 119 119 ILE HG12 H 1 1.580 0.02 . 2 . . . . A 119 ILE HG12 . 34736 1 803 . 1 . 1 119 119 ILE HG13 H 1 1.170 0.02 . 2 . . . . A 119 ILE HG13 . 34736 1 804 . 1 . 1 119 119 ILE HG21 H 1 1.030 0.02 . 1 . . . . A 119 ILE HG21 . 34736 1 805 . 1 . 1 119 119 ILE HG22 H 1 1.030 0.02 . 1 . . . . A 119 ILE HG22 . 34736 1 806 . 1 . 1 119 119 ILE HG23 H 1 1.030 0.02 . 1 . . . . A 119 ILE HG23 . 34736 1 807 . 1 . 1 119 119 ILE HD11 H 1 0.920 0.02 . 1 . . . . A 119 ILE HD11 . 34736 1 808 . 1 . 1 119 119 ILE HD12 H 1 0.920 0.02 . 1 . . . . A 119 ILE HD12 . 34736 1 809 . 1 . 1 119 119 ILE HD13 H 1 0.920 0.02 . 1 . . . . A 119 ILE HD13 . 34736 1 810 . 1 . 1 119 119 ILE N N 15 123.100 0.30 . 1 . . . . A 119 ILE N . 34736 1 811 . 1 . 1 120 120 MET H H 1 8.470 0.02 . 1 . . . . A 120 MET H . 34736 1 812 . 1 . 1 120 120 MET HA H 1 4.430 0.02 . 1 . . . . A 120 MET HA . 34736 1 813 . 1 . 1 120 120 MET HB2 H 1 2.010 0.02 . 2 . . . . A 120 MET HB2 . 34736 1 814 . 1 . 1 120 120 MET HB3 H 1 1.800 0.02 . 2 . . . . A 120 MET HB3 . 34736 1 815 . 1 . 1 120 120 MET HG2 H 1 2.710 0.02 . 1 . . . . A 120 MET HG2 . 34736 1 816 . 1 . 1 120 120 MET HG3 H 1 2.380 0.02 . 1 . . . . A 120 MET HG3 . 34736 1 817 . 1 . 1 120 120 MET HE1 H 1 1.910 0.02 . 1 . . . . A 120 MET HE1 . 34736 1 818 . 1 . 1 120 120 MET HE2 H 1 1.910 0.02 . 1 . . . . A 120 MET HE2 . 34736 1 819 . 1 . 1 120 120 MET HE3 H 1 1.910 0.02 . 1 . . . . A 120 MET HE3 . 34736 1 820 . 1 . 1 120 120 MET N N 15 119.300 0.30 . 1 . . . . A 120 MET N . 34736 1 821 . 1 . 1 121 121 ARG H H 1 8.510 0.02 . 1 . . . . A 121 ARG H . 34736 1 822 . 1 . 1 121 121 ARG HA H 1 4.030 0.02 . 1 . . . . A 121 ARG HA . 34736 1 823 . 1 . 1 121 121 ARG N N 15 120.500 0.30 . 1 . . . . A 121 ARG N . 34736 1 824 . 1 . 1 122 122 GLU H H 1 8.020 0.02 . 1 . . . . A 122 GLU H . 34736 1 825 . 1 . 1 122 122 GLU HA H 1 4.100 0.02 . 1 . . . . A 122 GLU HA . 34736 1 826 . 1 . 1 122 122 GLU HB2 H 1 2.490 0.02 . 4 . . . . A 122 GLU HB2 . 34736 1 827 . 1 . 1 122 122 GLU HB3 H 1 2.090 0.02 . 4 . . . . A 122 GLU HB3 . 34736 1 828 . 1 . 1 122 122 GLU HG2 H 1 2.270 0.02 . 4 . . . . A 122 GLU HG2 . 34736 1 829 . 1 . 1 122 122 GLU HG3 H 1 2.270 0.02 . 4 . . . . A 122 GLU HG3 . 34736 1 830 . 1 . 1 122 122 GLU N N 15 120.800 0.30 . 1 . . . . A 122 GLU N . 34736 1 831 . 1 . 1 123 123 LYS H H 1 8.000 0.02 . 1 . . . . A 123 LYS H . 34736 1 832 . 1 . 1 123 123 LYS HA H 1 4.430 0.02 . 1 . . . . A 123 LYS HA . 34736 1 833 . 1 . 1 123 123 LYS N N 15 120.100 0.30 . 1 . . . . A 123 LYS N . 34736 1 834 . 1 . 1 124 124 TYR H H 1 8.360 0.02 . 1 . . . . A 124 TYR H . 34736 1 835 . 1 . 1 124 124 TYR HA H 1 4.470 0.02 . 1 . . . . A 124 TYR HA . 34736 1 836 . 1 . 1 124 124 TYR HB2 H 1 3.150 0.02 . 2 . . . . A 124 TYR HB2 . 34736 1 837 . 1 . 1 124 124 TYR HB3 H 1 2.960 0.02 . 2 . . . . A 124 TYR HB3 . 34736 1 838 . 1 . 1 124 124 TYR N N 15 119.200 0.30 . 1 . . . . A 124 TYR N . 34736 1 839 . 1 . 1 125 125 SER H H 1 8.080 0.02 . 1 . . . . A 125 SER H . 34736 1 840 . 1 . 1 125 125 SER HA H 1 4.210 0.02 . 1 . . . . A 125 SER HA . 34736 1 841 . 1 . 1 125 125 SER HB2 H 1 4.030 0.02 . 2 . . . . A 125 SER HB2 . 34736 1 842 . 1 . 1 125 125 SER HB3 H 1 4.030 0.02 . 2 . . . . A 125 SER HB3 . 34736 1 843 . 1 . 1 125 125 SER N N 15 114.900 0.30 . 1 . . . . A 125 SER N . 34736 1 844 . 1 . 1 126 126 LYS H H 1 7.730 0.02 . 1 . . . . A 126 LYS H . 34736 1 845 . 1 . 1 126 126 LYS HA H 1 4.320 0.02 . 1 . . . . A 126 LYS HA . 34736 1 846 . 1 . 1 126 126 LYS HB2 H 1 1.870 0.02 . 4 . . . . A 126 LYS HB2 . 34736 1 847 . 1 . 1 126 126 LYS HB3 H 1 1.970 0.02 . 4 . . . . A 126 LYS HB3 . 34736 1 848 . 1 . 1 126 126 LYS HG2 H 1 1.570 0.02 . 4 . . . . A 126 LYS HG2 . 34736 1 849 . 1 . 1 126 126 LYS HG3 H 1 1.470 0.02 . 4 . . . . A 126 LYS HG3 . 34736 1 850 . 1 . 1 126 126 LYS N N 15 121.700 0.30 . 1 . . . . A 126 LYS N . 34736 1 851 . 1 . 1 127 127 CYS H H 1 8.040 0.02 . 1 . . . . A 127 CYS H . 34736 1 852 . 1 . 1 127 127 CYS HA H 1 4.690 0.02 . 1 . . . . A 127 CYS HA . 34736 1 853 . 1 . 1 127 127 CYS HB2 H 1 3.260 0.02 . 2 . . . . A 127 CYS HB2 . 34736 1 854 . 1 . 1 127 127 CYS HB3 H 1 3.260 0.02 . 2 . . . . A 127 CYS HB3 . 34736 1 855 . 1 . 1 127 127 CYS N N 15 119.000 0.30 . 1 . . . . A 127 CYS N . 34736 1 856 . 1 . 1 128 128 SER H H 1 8.100 0.02 . 1 . . . . A 128 SER H . 34736 1 857 . 1 . 1 128 128 SER HA H 1 4.510 0.02 . 1 . . . . A 128 SER HA . 34736 1 858 . 1 . 1 128 128 SER HB2 H 1 3.850 0.02 . 2 . . . . A 128 SER HB2 . 34736 1 859 . 1 . 1 128 128 SER HB3 H 1 3.660 0.02 . 2 . . . . A 128 SER HB3 . 34736 1 860 . 1 . 1 128 128 SER N N 15 116.900 0.30 . 1 . . . . A 128 SER N . 34736 1 861 . 1 . 1 129 129 SER H H 1 7.880 0.02 . 1 . . . . A 129 SER H . 34736 1 862 . 1 . 1 129 129 SER HA H 1 4.290 0.02 . 1 . . . . A 129 SER HA . 34736 1 863 . 1 . 1 129 129 SER HB2 H 1 3.880 0.02 . 2 . . . . A 129 SER HB2 . 34736 1 864 . 1 . 1 129 129 SER HB3 H 1 3.880 0.02 . 2 . . . . A 129 SER HB3 . 34736 1 865 . 1 . 1 129 129 SER N N 15 124.900 0.30 . 1 . . . . A 129 SER N . 34736 1 stop_ save_