data_30911 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30911 _Entry.Title ; AUGalpha - FAM150B - ALKL2 77-152 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-24 _Entry.Accession_date 2021-05-24 _Entry.Last_release_date 2021-06-18 _Entry.Original_release_date 2021-06-18 _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 P. Rossi P. . . . 30911 2 M. Sowaileh M. . . . 30911 3 A. Reshetnyak A. V. . . 30911 4 C. Kalodimos C. G. . . 30911 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ALKL2 77-152' . 30911 'Anaplastic lymphoma kinase activating ligand' . 30911 CYTOKINE . 30911 FAM150B . 30911 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30911 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 30911 '15N chemical shifts' 65 30911 '1H chemical shifts' 513 30911 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-12-03 2021-05-24 update BMRB 'update entry citation' 30911 1 . . 2021-11-19 2021-05-24 original author 'original release' 30911 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7MZX 'BMRB Entry Tracking System' 30911 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30911 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34819673 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanism for the activation of the anaplastic lymphoma kinase receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 600 _Citation.Journal_issue 7887 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _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 153 _Citation.Page_last 157 _Citation.Year 2021 _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 A. Reshetnyak A. V. . . 30911 1 2 P. Rossi P. . . . 30911 1 3 A. Myasnikov A. G. . . 30911 1 4 M. Sowaileh M. . . . 30911 1 5 J. Mohanty J. . . . 30911 1 6 A. Nourse A. . . . 30911 1 7 D. Miller D. J. . . 30911 1 8 I. Lax I. . . . 30911 1 9 J. Schlessinger J. . . . 30911 1 10 C. Kalodimos C. G. . . 30911 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30911 _Assembly.ID 1 _Assembly.Name 'ALK and LTK ligand 2' _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 . . . . . . 30911 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 35 35 SG . 1 . 1 CYS 71 71 SG . . . . . . . . . . . . 30911 1 2 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . . . 30911 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30911 _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 ; GPSPEQRVEIVPRDLRMKDK FLKHLTGPLYFSPKCSKHFH RLYHNTRDCTIPAYYKRCAR LLTRLAVSPVCMEDKQ ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 77-152' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9007.611 _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 AUG-alpha common 30911 1 'Augmentor alpha' common 30911 1 'Protein FAM150B' common 30911 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 77 GLY . 30911 1 2 78 PRO . 30911 1 3 79 SER . 30911 1 4 80 PRO . 30911 1 5 81 GLU . 30911 1 6 82 GLN . 30911 1 7 83 ARG . 30911 1 8 84 VAL . 30911 1 9 85 GLU . 30911 1 10 86 ILE . 30911 1 11 87 VAL . 30911 1 12 88 PRO . 30911 1 13 89 ARG . 30911 1 14 90 ASP . 30911 1 15 91 LEU . 30911 1 16 92 ARG . 30911 1 17 93 MET . 30911 1 18 94 LYS . 30911 1 19 95 ASP . 30911 1 20 96 LYS . 30911 1 21 97 PHE . 30911 1 22 98 LEU . 30911 1 23 99 LYS . 30911 1 24 100 HIS . 30911 1 25 101 LEU . 30911 1 26 102 THR . 30911 1 27 103 GLY . 30911 1 28 104 PRO . 30911 1 29 105 LEU . 30911 1 30 106 TYR . 30911 1 31 107 PHE . 30911 1 32 108 SER . 30911 1 33 109 PRO . 30911 1 34 110 LYS . 30911 1 35 111 CYS . 30911 1 36 112 SER . 30911 1 37 113 LYS . 30911 1 38 114 HIS . 30911 1 39 115 PHE . 30911 1 40 116 HIS . 30911 1 41 117 ARG . 30911 1 42 118 LEU . 30911 1 43 119 TYR . 30911 1 44 120 HIS . 30911 1 45 121 ASN . 30911 1 46 122 THR . 30911 1 47 123 ARG . 30911 1 48 124 ASP . 30911 1 49 125 CYS . 30911 1 50 126 THR . 30911 1 51 127 ILE . 30911 1 52 128 PRO . 30911 1 53 129 ALA . 30911 1 54 130 TYR . 30911 1 55 131 TYR . 30911 1 56 132 LYS . 30911 1 57 133 ARG . 30911 1 58 134 CYS . 30911 1 59 135 ALA . 30911 1 60 136 ARG . 30911 1 61 137 LEU . 30911 1 62 138 LEU . 30911 1 63 139 THR . 30911 1 64 140 ARG . 30911 1 65 141 LEU . 30911 1 66 142 ALA . 30911 1 67 143 VAL . 30911 1 68 144 SER . 30911 1 69 145 PRO . 30911 1 70 146 VAL . 30911 1 71 147 CYS . 30911 1 72 148 MET . 30911 1 73 149 GLU . 30911 1 74 150 ASP . 30911 1 75 151 LYS . 30911 1 76 152 GLN . 30911 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30911 1 . PRO 2 2 30911 1 . SER 3 3 30911 1 . PRO 4 4 30911 1 . GLU 5 5 30911 1 . GLN 6 6 30911 1 . ARG 7 7 30911 1 . VAL 8 8 30911 1 . GLU 9 9 30911 1 . ILE 10 10 30911 1 . VAL 11 11 30911 1 . PRO 12 12 30911 1 . ARG 13 13 30911 1 . ASP 14 14 30911 1 . LEU 15 15 30911 1 . ARG 16 16 30911 1 . MET 17 17 30911 1 . LYS 18 18 30911 1 . ASP 19 19 30911 1 . LYS 20 20 30911 1 . PHE 21 21 30911 1 . LEU 22 22 30911 1 . LYS 23 23 30911 1 . HIS 24 24 30911 1 . LEU 25 25 30911 1 . THR 26 26 30911 1 . GLY 27 27 30911 1 . PRO 28 28 30911 1 . LEU 29 29 30911 1 . TYR 30 30 30911 1 . PHE 31 31 30911 1 . SER 32 32 30911 1 . PRO 33 33 30911 1 . LYS 34 34 30911 1 . CYS 35 35 30911 1 . SER 36 36 30911 1 . LYS 37 37 30911 1 . HIS 38 38 30911 1 . PHE 39 39 30911 1 . HIS 40 40 30911 1 . ARG 41 41 30911 1 . LEU 42 42 30911 1 . TYR 43 43 30911 1 . HIS 44 44 30911 1 . ASN 45 45 30911 1 . THR 46 46 30911 1 . ARG 47 47 30911 1 . ASP 48 48 30911 1 . CYS 49 49 30911 1 . THR 50 50 30911 1 . ILE 51 51 30911 1 . PRO 52 52 30911 1 . ALA 53 53 30911 1 . TYR 54 54 30911 1 . TYR 55 55 30911 1 . LYS 56 56 30911 1 . ARG 57 57 30911 1 . CYS 58 58 30911 1 . ALA 59 59 30911 1 . ARG 60 60 30911 1 . LEU 61 61 30911 1 . LEU 62 62 30911 1 . THR 63 63 30911 1 . ARG 64 64 30911 1 . LEU 65 65 30911 1 . ALA 66 66 30911 1 . VAL 67 67 30911 1 . SER 68 68 30911 1 . PRO 69 69 30911 1 . VAL 70 70 30911 1 . CYS 71 71 30911 1 . MET 72 72 30911 1 . GLU 73 73 30911 1 . ASP 74 74 30911 1 . LYS 75 75 30911 1 . GLN 76 76 30911 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 30911 _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 . . . . . . . . . . . 'ALKAL2, FAM150B, UNQ542/PRO1097' . 30911 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 30911 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30911 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30911 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-100% 13C; U-100% 15N] AUGalpha-FAM150B- residues 77-152, 150 mM sodium chloride, 20 mM sodium phosphate, 0.1 % sodium azide, 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 'AUGalpha-FAM150B- residues 77-152' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30911 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30911 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30911 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 30911 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30911 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM U-15N, U-1H,13C_CH3_AILMTV AUGalpha-FAM150B- residues 77-152, 150 mM sodium chloride, 20 mM sodium phosphate, 0.1 % sodium azide, 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 'AUGalpha-FAM150B- residues 77-152' '[U-15N; U-1H,13C_CH3_AILMTV]' . . 1 $entity_1 . . 300 . . uM . . . . 30911 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30911 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30911 2 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 30911 2 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 30911 _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' 170 . mM 30911 1 pH 7.0 . pH 30911 1 pressure 1 . atm 30911 1 temperature 298 . K 30911 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30911 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30911 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30911 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30911 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30911 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30911 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30911 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30911 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30911 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30911 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Markley et. al.' . . 30911 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30911 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30911 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version 4.06 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30911 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30911 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30911 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30911 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30911 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30911 _Software.ID 7 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30911 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30911 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30911 _Software.ID 8 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 30911 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 30911 8 stop_ save_ save_software_9 _Software.Sf_category software _Software.Sf_framecode software_9 _Software.Entry_ID 30911 _Software.ID 9 _Software.Type . _Software.Name PdbStat _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Tejero and Montelione' . . 30911 9 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30911 9 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 30911 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30911 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30911 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 700 . . . 30911 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 850 . . . 30911 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 30911 _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 . . . . . . . . . . . . . . . . . 30911 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30911 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30911 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30911 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30911 1 6 '3D CCH_TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 7 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 9 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 12 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 13 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 14 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 15 '3D sofast_HallNH_NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 16 '3D sofast_HallCmHm_NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 1 17 '3D sofast_CCH_NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30911 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 30911 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30911 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30911 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30911 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 30911 _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' . . . 30911 1 2 '2D 1H-13C HSQC aliphatic' . . . 30911 1 3 '2D 1H-13C HSQC aromatic' . . . 30911 1 4 '3D 1H-13C NOESY' . . . 30911 1 5 '3D 1H-15N NOESY' . . . 30911 1 6 '3D CCH_TOCSY' . . . 30911 1 7 '3D HNCACO' . . . 30911 1 8 '3D HCCH-TOCSY' . . . 30911 1 9 '3D HCCH-COSY' . . . 30911 1 10 '3D HBHA(CO)NH' . . . 30911 1 11 '3D CBCA(CO)NH' . . . 30911 1 12 '3D HNCO' . . . 30911 1 13 '3D HNCACB' . . . 30911 1 14 '3D HNCA' . . . 30911 1 15 '3D sofast_HallNH_NOESY' . . . 30911 1 16 '3D sofast_HallCmHm_NOESY' . . . 30911 1 17 '3D sofast_CCH_NOESY' . . . 30911 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 PRO HA H 1 4.572 0.00 . . . . . . A 78 PRO HA . 30911 1 2 . 1 . 1 2 2 PRO HB2 H 1 1.988 0.00 . . . . . . A 78 PRO HB2 . 30911 1 3 . 1 . 1 2 2 PRO HB3 H 1 2.163 0.14 . . . . . . A 78 PRO HB3 . 30911 1 4 . 1 . 1 2 2 PRO HG2 H 1 2.035 0.03 . . . . . . A 78 PRO HG2 . 30911 1 5 . 1 . 1 2 2 PRO HG3 H 1 2.023 0.04 . . . . . . A 78 PRO HG3 . 30911 1 6 . 1 . 1 2 2 PRO HD2 H 1 3.620 0.00 . . . . . . A 78 PRO HD2 . 30911 1 7 . 1 . 1 2 2 PRO HD3 H 1 3.624 0.01 . . . . . . A 78 PRO HD3 . 30911 1 8 . 1 . 1 2 2 PRO CA C 13 63.040 0.03 . . . . . . A 78 PRO CA . 30911 1 9 . 1 . 1 2 2 PRO CB C 13 32.389 0.01 . . . . . . A 78 PRO CB . 30911 1 10 . 1 . 1 2 2 PRO CG C 13 27.279 0.22 . . . . . . A 78 PRO CG . 30911 1 11 . 1 . 1 2 2 PRO CD C 13 49.802 0.02 . . . . . . A 78 PRO CD . 30911 1 12 . 1 . 1 3 3 SER H H 1 8.578 0.00 . . . . . . A 79 SER H . 30911 1 13 . 1 . 1 3 3 SER HA H 1 4.814 0.00 . . . . . . A 79 SER HA . 30911 1 14 . 1 . 1 3 3 SER HB2 H 1 3.949 0.00 . . . . . . A 79 SER HB2 . 30911 1 15 . 1 . 1 3 3 SER HB3 H 1 3.949 0.00 . . . . . . A 79 SER HB3 . 30911 1 16 . 1 . 1 3 3 SER CA C 13 56.594 0.03 . . . . . . A 79 SER CA . 30911 1 17 . 1 . 1 3 3 SER CB C 13 63.477 0.00 . . . . . . A 79 SER CB . 30911 1 18 . 1 . 1 3 3 SER N N 15 118.325 0.00 . . . . . . A 79 SER N . 30911 1 19 . 1 . 1 4 4 PRO HA H 1 4.408 0.00 . . . . . . A 80 PRO HA . 30911 1 20 . 1 . 1 4 4 PRO HB2 H 1 2.070 0.00 . . . . . . A 80 PRO HB2 . 30911 1 21 . 1 . 1 4 4 PRO HB3 H 1 2.000 0.00 . . . . . . A 80 PRO HB3 . 30911 1 22 . 1 . 1 4 4 PRO HG2 H 1 1.920 0.00 . . . . . . A 80 PRO HG2 . 30911 1 23 . 1 . 1 4 4 PRO HG3 H 1 1.890 0.00 . . . . . . A 80 PRO HG3 . 30911 1 24 . 1 . 1 4 4 PRO HD2 H 1 3.646 0.00 . . . . . . A 80 PRO HD2 . 30911 1 25 . 1 . 1 4 4 PRO HD3 H 1 3.611 0.00 . . . . . . A 80 PRO HD3 . 30911 1 26 . 1 . 1 4 4 PRO CA C 13 63.732 0.07 . . . . . . A 80 PRO CA . 30911 1 27 . 1 . 1 4 4 PRO CB C 13 32.104 0.00 . . . . . . A 80 PRO CB . 30911 1 28 . 1 . 1 4 4 PRO CG C 13 27.310 0.00 . . . . . . A 80 PRO CG . 30911 1 29 . 1 . 1 4 4 PRO CD C 13 49.980 0.02 . . . . . . A 80 PRO CD . 30911 1 30 . 1 . 1 5 5 GLU H H 1 8.523 0.00 . . . . . . A 81 GLU H . 30911 1 31 . 1 . 1 5 5 GLU HA H 1 4.267 0.00 . . . . . . A 81 GLU HA . 30911 1 32 . 1 . 1 5 5 GLU HB2 H 1 2.069 0.00 . . . . . . A 81 GLU HB2 . 30911 1 33 . 1 . 1 5 5 GLU HB3 H 1 1.979 0.00 . . . . . . A 81 GLU HB3 . 30911 1 34 . 1 . 1 5 5 GLU HG2 H 1 2.260 0.00 . . . . . . A 81 GLU HG2 . 30911 1 35 . 1 . 1 5 5 GLU HG3 H 1 2.240 0.00 . . . . . . A 81 GLU HG3 . 30911 1 36 . 1 . 1 5 5 GLU CA C 13 56.953 0.01 . . . . . . A 81 GLU CA . 30911 1 37 . 1 . 1 5 5 GLU CB C 13 30.019 0.10 . . . . . . A 81 GLU CB . 30911 1 38 . 1 . 1 5 5 GLU CG C 13 36.100 0.00 . . . . . . A 81 GLU CG . 30911 1 39 . 1 . 1 5 5 GLU N N 15 120.264 0.00 . . . . . . A 81 GLU N . 30911 1 40 . 1 . 1 6 6 GLN H H 1 8.292 0.00 . . . . . . A 82 GLN H . 30911 1 41 . 1 . 1 6 6 GLN HA H 1 4.373 0.00 . . . . . . A 82 GLN HA . 30911 1 42 . 1 . 1 6 6 GLN HB2 H 1 2.141 0.00 . . . . . . A 82 GLN HB2 . 30911 1 43 . 1 . 1 6 6 GLN HB3 H 1 2.040 0.00 . . . . . . A 82 GLN HB3 . 30911 1 44 . 1 . 1 6 6 GLN HG2 H 1 2.393 0.00 . . . . . . A 82 GLN HG2 . 30911 1 45 . 1 . 1 6 6 GLN HG3 H 1 2.393 0.00 . . . . . . A 82 GLN HG3 . 30911 1 46 . 1 . 1 6 6 GLN CA C 13 55.776 0.01 . . . . . . A 82 GLN CA . 30911 1 47 . 1 . 1 6 6 GLN CB C 13 29.605 0.06 . . . . . . A 82 GLN CB . 30911 1 48 . 1 . 1 6 6 GLN CG C 13 34.022 0.00 . . . . . . A 82 GLN CG . 30911 1 49 . 1 . 1 6 6 GLN N N 15 121.327 0.00 . . . . . . A 82 GLN N . 30911 1 50 . 1 . 1 7 7 ARG H H 1 8.362 0.00 . . . . . . A 83 ARG H . 30911 1 51 . 1 . 1 7 7 ARG HA H 1 4.300 0.00 . . . . . . A 83 ARG HA . 30911 1 52 . 1 . 1 7 7 ARG HB2 H 1 1.858 0.00 . . . . . . A 83 ARG HB2 . 30911 1 53 . 1 . 1 7 7 ARG HB3 H 1 1.801 0.00 . . . . . . A 83 ARG HB3 . 30911 1 54 . 1 . 1 7 7 ARG HG2 H 1 1.670 0.00 . . . . . . A 83 ARG HG2 . 30911 1 55 . 1 . 1 7 7 ARG HG3 H 1 1.614 0.00 . . . . . . A 83 ARG HG3 . 30911 1 56 . 1 . 1 7 7 ARG HD2 H 1 3.233 0.00 . . . . . . A 83 ARG HD2 . 30911 1 57 . 1 . 1 7 7 ARG HD3 H 1 3.233 0.00 . . . . . . A 83 ARG HD3 . 30911 1 58 . 1 . 1 7 7 ARG CA C 13 56.188 0.04 . . . . . . A 83 ARG CA . 30911 1 59 . 1 . 1 7 7 ARG CB C 13 30.939 0.02 . . . . . . A 83 ARG CB . 30911 1 60 . 1 . 1 7 7 ARG CG C 13 27.229 0.04 . . . . . . A 83 ARG CG . 30911 1 61 . 1 . 1 7 7 ARG CD C 13 43.458 0.00 . . . . . . A 83 ARG CD . 30911 1 62 . 1 . 1 7 7 ARG N N 15 123.035 0.00 . . . . . . A 83 ARG N . 30911 1 63 . 1 . 1 8 8 VAL H H 1 8.229 0.00 . . . . . . A 84 VAL H . 30911 1 64 . 1 . 1 8 8 VAL HA H 1 4.161 0.00 . . . . . . A 84 VAL HA . 30911 1 65 . 1 . 1 8 8 VAL HB H 1 2.084 0.00 . . . . . . A 84 VAL HB . 30911 1 66 . 1 . 1 8 8 VAL HG11 H 1 0.984 0.00 . . . . . . A 84 VAL HG11 . 30911 1 67 . 1 . 1 8 8 VAL HG12 H 1 0.984 0.00 . . . . . . A 84 VAL HG12 . 30911 1 68 . 1 . 1 8 8 VAL HG13 H 1 0.984 0.00 . . . . . . A 84 VAL HG13 . 30911 1 69 . 1 . 1 8 8 VAL HG21 H 1 0.967 0.01 . . . . . . A 84 VAL HG21 . 30911 1 70 . 1 . 1 8 8 VAL HG22 H 1 0.967 0.01 . . . . . . A 84 VAL HG22 . 30911 1 71 . 1 . 1 8 8 VAL HG23 H 1 0.967 0.01 . . . . . . A 84 VAL HG23 . 30911 1 72 . 1 . 1 8 8 VAL CA C 13 62.233 0.02 . . . . . . A 84 VAL CA . 30911 1 73 . 1 . 1 8 8 VAL CB C 13 32.918 0.09 . . . . . . A 84 VAL CB . 30911 1 74 . 1 . 1 8 8 VAL CG1 C 13 20.705 0.03 . . . . . . A 84 VAL CG1 . 30911 1 75 . 1 . 1 8 8 VAL CG2 C 13 21.323 0.02 . . . . . . A 84 VAL CG2 . 30911 1 76 . 1 . 1 8 8 VAL N N 15 121.993 0.00 . . . . . . A 84 VAL N . 30911 1 77 . 1 . 1 9 9 GLU H H 1 8.509 0.00 . . . . . . A 85 GLU H . 30911 1 78 . 1 . 1 9 9 GLU HA H 1 4.389 0.00 . . . . . . A 85 GLU HA . 30911 1 79 . 1 . 1 9 9 GLU HB2 H 1 2.034 0.00 . . . . . . A 85 GLU HB2 . 30911 1 80 . 1 . 1 9 9 GLU HB3 H 1 1.931 0.00 . . . . . . A 85 GLU HB3 . 30911 1 81 . 1 . 1 9 9 GLU HG2 H 1 2.289 0.00 . . . . . . A 85 GLU HG2 . 30911 1 82 . 1 . 1 9 9 GLU HG3 H 1 2.224 0.00 . . . . . . A 85 GLU HG3 . 30911 1 83 . 1 . 1 9 9 GLU CA C 13 56.273 0.01 . . . . . . A 85 GLU CA . 30911 1 84 . 1 . 1 9 9 GLU CB C 13 30.602 0.00 . . . . . . A 85 GLU CB . 30911 1 85 . 1 . 1 9 9 GLU CG C 13 36.303 0.02 . . . . . . A 85 GLU CG . 30911 1 86 . 1 . 1 9 9 GLU N N 15 125.187 0.00 . . . . . . A 85 GLU N . 30911 1 87 . 1 . 1 10 10 ILE H H 1 8.288 0.00 . . . . . . A 86 ILE H . 30911 1 88 . 1 . 1 10 10 ILE HA H 1 4.208 0.00 . . . . . . A 86 ILE HA . 30911 1 89 . 1 . 1 10 10 ILE HB H 1 1.873 0.00 . . . . . . A 86 ILE HB . 30911 1 90 . 1 . 1 10 10 ILE HG12 H 1 1.506 0.00 . . . . . . A 86 ILE HG12 . 30911 1 91 . 1 . 1 10 10 ILE HG13 H 1 1.215 0.00 . . . . . . A 86 ILE HG13 . 30911 1 92 . 1 . 1 10 10 ILE HG21 H 1 0.913 0.01 . . . . . . A 86 ILE HG21 . 30911 1 93 . 1 . 1 10 10 ILE HG22 H 1 0.913 0.01 . . . . . . A 86 ILE HG22 . 30911 1 94 . 1 . 1 10 10 ILE HG23 H 1 0.913 0.01 . . . . . . A 86 ILE HG23 . 30911 1 95 . 1 . 1 10 10 ILE HD11 H 1 0.879 0.00 . . . . . . A 86 ILE HD11 . 30911 1 96 . 1 . 1 10 10 ILE HD12 H 1 0.879 0.00 . . . . . . A 86 ILE HD12 . 30911 1 97 . 1 . 1 10 10 ILE HD13 H 1 0.879 0.00 . . . . . . A 86 ILE HD13 . 30911 1 98 . 1 . 1 10 10 ILE CA C 13 60.989 0.02 . . . . . . A 86 ILE CA . 30911 1 99 . 1 . 1 10 10 ILE CB C 13 38.681 0.01 . . . . . . A 86 ILE CB . 30911 1 100 . 1 . 1 10 10 ILE CG1 C 13 27.438 0.00 . . . . . . A 86 ILE CG1 . 30911 1 101 . 1 . 1 10 10 ILE CG2 C 13 17.669 0.01 . . . . . . A 86 ILE CG2 . 30911 1 102 . 1 . 1 10 10 ILE CD1 C 13 12.772 0.05 . . . . . . A 86 ILE CD1 . 30911 1 103 . 1 . 1 10 10 ILE N N 15 123.133 0.00 . . . . . . A 86 ILE N . 30911 1 104 . 1 . 1 11 11 VAL H H 1 8.274 0.00 . . . . . . A 87 VAL H . 30911 1 105 . 1 . 1 11 11 VAL HA H 1 4.449 0.00 . . . . . . A 87 VAL HA . 30911 1 106 . 1 . 1 11 11 VAL HB H 1 2.109 0.00 . . . . . . A 87 VAL HB . 30911 1 107 . 1 . 1 11 11 VAL HG11 H 1 0.993 0.01 . . . . . . A 87 VAL HG11 . 30911 1 108 . 1 . 1 11 11 VAL HG12 H 1 0.993 0.01 . . . . . . A 87 VAL HG12 . 30911 1 109 . 1 . 1 11 11 VAL HG13 H 1 0.993 0.01 . . . . . . A 87 VAL HG13 . 30911 1 110 . 1 . 1 11 11 VAL HG21 H 1 1.016 0.01 . . . . . . A 87 VAL HG21 . 30911 1 111 . 1 . 1 11 11 VAL HG22 H 1 1.016 0.01 . . . . . . A 87 VAL HG22 . 30911 1 112 . 1 . 1 11 11 VAL HG23 H 1 1.016 0.01 . . . . . . A 87 VAL HG23 . 30911 1 113 . 1 . 1 11 11 VAL CA C 13 59.836 0.03 . . . . . . A 87 VAL CA . 30911 1 114 . 1 . 1 11 11 VAL CB C 13 32.688 0.04 . . . . . . A 87 VAL CB . 30911 1 115 . 1 . 1 11 11 VAL CG1 C 13 20.708 0.03 . . . . . . A 87 VAL CG1 . 30911 1 116 . 1 . 1 11 11 VAL CG2 C 13 21.272 0.01 . . . . . . A 87 VAL CG2 . 30911 1 117 . 1 . 1 11 11 VAL N N 15 125.841 0.00 . . . . . . A 87 VAL N . 30911 1 118 . 1 . 1 12 12 PRO HA H 1 4.448 0.00 . . . . . . A 88 PRO HA . 30911 1 119 . 1 . 1 12 12 PRO HB2 H 1 2.358 0.00 . . . . . . A 88 PRO HB2 . 30911 1 120 . 1 . 1 12 12 PRO HB3 H 1 1.974 0.00 . . . . . . A 88 PRO HB3 . 30911 1 121 . 1 . 1 12 12 PRO HG2 H 1 2.083 0.00 . . . . . . A 88 PRO HG2 . 30911 1 122 . 1 . 1 12 12 PRO HG3 H 1 2.083 0.00 . . . . . . A 88 PRO HG3 . 30911 1 123 . 1 . 1 12 12 PRO HD2 H 1 3.878 0.00 . . . . . . A 88 PRO HD2 . 30911 1 124 . 1 . 1 12 12 PRO HD3 H 1 3.810 0.00 . . . . . . A 88 PRO HD3 . 30911 1 125 . 1 . 1 12 12 PRO CA C 13 63.679 0.10 . . . . . . A 88 PRO CA . 30911 1 126 . 1 . 1 12 12 PRO CB C 13 32.166 0.04 . . . . . . A 88 PRO CB . 30911 1 127 . 1 . 1 12 12 PRO CG C 13 27.491 0.00 . . . . . . A 88 PRO CG . 30911 1 128 . 1 . 1 12 12 PRO CD C 13 50.932 0.01 . . . . . . A 88 PRO CD . 30911 1 129 . 1 . 1 13 13 ARG H H 1 8.485 0.00 . . . . . . A 89 ARG H . 30911 1 130 . 1 . 1 13 13 ARG HA H 1 4.184 0.00 . . . . . . A 89 ARG HA . 30911 1 131 . 1 . 1 13 13 ARG HB2 H 1 1.866 0.00 . . . . . . A 89 ARG HB2 . 30911 1 132 . 1 . 1 13 13 ARG HB3 H 1 1.866 0.00 . . . . . . A 89 ARG HB3 . 30911 1 133 . 1 . 1 13 13 ARG HG2 H 1 1.720 0.00 . . . . . . A 89 ARG HG2 . 30911 1 134 . 1 . 1 13 13 ARG HG3 H 1 1.720 0.00 . . . . . . A 89 ARG HG3 . 30911 1 135 . 1 . 1 13 13 ARG HD2 H 1 3.245 0.00 . . . . . . A 89 ARG HD2 . 30911 1 136 . 1 . 1 13 13 ARG HD3 H 1 3.245 0.00 . . . . . . A 89 ARG HD3 . 30911 1 137 . 1 . 1 13 13 ARG CA C 13 57.475 0.02 . . . . . . A 89 ARG CA . 30911 1 138 . 1 . 1 13 13 ARG CB C 13 30.736 0.06 . . . . . . A 89 ARG CB . 30911 1 139 . 1 . 1 13 13 ARG CG C 13 27.260 0.00 . . . . . . A 89 ARG CG . 30911 1 140 . 1 . 1 13 13 ARG CD C 13 43.510 0.00 . . . . . . A 89 ARG CD . 30911 1 141 . 1 . 1 13 13 ARG N N 15 121.127 0.00 . . . . . . A 89 ARG N . 30911 1 142 . 1 . 1 14 14 ASP H H 1 8.309 0.00 . . . . . . A 90 ASP H . 30911 1 143 . 1 . 1 14 14 ASP HA H 1 4.600 0.00 . . . . . . A 90 ASP HA . 30911 1 144 . 1 . 1 14 14 ASP HB2 H 1 2.735 0.00 . . . . . . A 90 ASP HB2 . 30911 1 145 . 1 . 1 14 14 ASP HB3 H 1 2.735 0.00 . . . . . . A 90 ASP HB3 . 30911 1 146 . 1 . 1 14 14 ASP CA C 13 54.845 0.10 . . . . . . A 90 ASP CA . 30911 1 147 . 1 . 1 14 14 ASP CB C 13 41.101 0.09 . . . . . . A 90 ASP CB . 30911 1 148 . 1 . 1 14 14 ASP N N 15 119.302 0.00 . . . . . . A 90 ASP N . 30911 1 149 . 1 . 1 15 15 LEU H H 1 8.112 0.00 . . . . . . A 91 LEU H . 30911 1 150 . 1 . 1 15 15 LEU HA H 1 4.269 0.00 . . . . . . A 91 LEU HA . 30911 1 151 . 1 . 1 15 15 LEU HG H 1 1.687 0.00 . . . . . . A 91 LEU HG . 30911 1 152 . 1 . 1 15 15 LEU HD11 H 1 0.981 0.01 . . . . . . A 91 LEU HD11 . 30911 1 153 . 1 . 1 15 15 LEU HD12 H 1 0.981 0.01 . . . . . . A 91 LEU HD12 . 30911 1 154 . 1 . 1 15 15 LEU HD13 H 1 0.981 0.01 . . . . . . A 91 LEU HD13 . 30911 1 155 . 1 . 1 15 15 LEU HD21 H 1 0.910 0.01 . . . . . . A 91 LEU HD21 . 30911 1 156 . 1 . 1 15 15 LEU HD22 H 1 0.910 0.01 . . . . . . A 91 LEU HD22 . 30911 1 157 . 1 . 1 15 15 LEU HD23 H 1 0.910 0.01 . . . . . . A 91 LEU HD23 . 30911 1 158 . 1 . 1 15 15 LEU CA C 13 56.245 0.06 . . . . . . A 91 LEU CA . 30911 1 159 . 1 . 1 15 15 LEU CB C 13 42.026 0.06 . . . . . . A 91 LEU CB . 30911 1 160 . 1 . 1 15 15 LEU CG C 13 27.040 0.00 . . . . . . A 91 LEU CG . 30911 1 161 . 1 . 1 15 15 LEU CD1 C 13 25.188 0.03 . . . . . . A 91 LEU CD1 . 30911 1 162 . 1 . 1 15 15 LEU CD2 C 13 23.691 0.02 . . . . . . A 91 LEU CD2 . 30911 1 163 . 1 . 1 15 15 LEU N N 15 122.653 0.00 . . . . . . A 91 LEU N . 30911 1 164 . 1 . 1 16 16 ARG H H 1 8.222 0.00 . . . . . . A 92 ARG H . 30911 1 165 . 1 . 1 16 16 ARG HA H 1 4.263 0.00 . . . . . . A 92 ARG HA . 30911 1 166 . 1 . 1 16 16 ARG HB2 H 1 1.942 0.00 . . . . . . A 92 ARG HB2 . 30911 1 167 . 1 . 1 16 16 ARG HB3 H 1 1.942 0.00 . . . . . . A 92 ARG HB3 . 30911 1 168 . 1 . 1 16 16 ARG HG2 H 1 1.678 0.00 . . . . . . A 92 ARG HG2 . 30911 1 169 . 1 . 1 16 16 ARG HG3 H 1 1.678 0.00 . . . . . . A 92 ARG HG3 . 30911 1 170 . 1 . 1 16 16 ARG HD2 H 1 3.264 0.00 . . . . . . A 92 ARG HD2 . 30911 1 171 . 1 . 1 16 16 ARG HD3 H 1 3.264 0.00 . . . . . . A 92 ARG HD3 . 30911 1 172 . 1 . 1 16 16 ARG CA C 13 57.610 0.08 . . . . . . A 92 ARG CA . 30911 1 173 . 1 . 1 16 16 ARG CB C 13 30.364 0.08 . . . . . . A 92 ARG CB . 30911 1 174 . 1 . 1 16 16 ARG CG C 13 27.449 0.00 . . . . . . A 92 ARG CG . 30911 1 175 . 1 . 1 16 16 ARG CD C 13 43.575 0.00 . . . . . . A 92 ARG CD . 30911 1 176 . 1 . 1 16 16 ARG N N 15 119.679 0.00 . . . . . . A 92 ARG N . 30911 1 177 . 1 . 1 17 17 MET H H 1 8.194 0.00 . . . . . . A 93 MET H . 30911 1 178 . 1 . 1 17 17 MET HA H 1 4.412 0.00 . . . . . . A 93 MET HA . 30911 1 179 . 1 . 1 17 17 MET HB2 H 1 2.691 0.00 . . . . . . A 93 MET HB2 . 30911 1 180 . 1 . 1 17 17 MET HB3 H 1 2.574 0.00 . . . . . . A 93 MET HB3 . 30911 1 181 . 1 . 1 17 17 MET HG2 H 1 2.127 0.00 . . . . . . A 93 MET HG2 . 30911 1 182 . 1 . 1 17 17 MET HG3 H 1 2.127 0.00 . . . . . . A 93 MET HG3 . 30911 1 183 . 1 . 1 17 17 MET HE1 H 1 2.145 0.01 . . . . . . A 93 MET HE1 . 30911 1 184 . 1 . 1 17 17 MET HE2 H 1 2.145 0.01 . . . . . . A 93 MET HE2 . 30911 1 185 . 1 . 1 17 17 MET HE3 H 1 2.145 0.01 . . . . . . A 93 MET HE3 . 30911 1 186 . 1 . 1 17 17 MET CA C 13 56.588 0.06 . . . . . . A 93 MET CA . 30911 1 187 . 1 . 1 17 17 MET CB C 13 32.525 0.16 . . . . . . A 93 MET CB . 30911 1 188 . 1 . 1 17 17 MET CE C 13 17.537 0.06 . . . . . . A 93 MET CE . 30911 1 189 . 1 . 1 17 17 MET N N 15 118.975 0.00 . . . . . . A 93 MET N . 30911 1 190 . 1 . 1 18 18 LYS H H 1 8.093 0.00 . . . . . . A 94 LYS H . 30911 1 191 . 1 . 1 18 18 LYS HA H 1 4.072 0.01 . . . . . . A 94 LYS HA . 30911 1 192 . 1 . 1 18 18 LYS HB2 H 1 1.893 0.00 . . . . . . A 94 LYS HB2 . 30911 1 193 . 1 . 1 18 18 LYS HB3 H 1 1.893 0.00 . . . . . . A 94 LYS HB3 . 30911 1 194 . 1 . 1 18 18 LYS HG2 H 1 1.355 0.00 . . . . . . A 94 LYS HG2 . 30911 1 195 . 1 . 1 18 18 LYS HG3 H 1 1.355 0.00 . . . . . . A 94 LYS HG3 . 30911 1 196 . 1 . 1 18 18 LYS HD2 H 1 1.701 0.00 . . . . . . A 94 LYS HD2 . 30911 1 197 . 1 . 1 18 18 LYS HD3 H 1 1.701 0.00 . . . . . . A 94 LYS HD3 . 30911 1 198 . 1 . 1 18 18 LYS HE2 H 1 2.985 0.00 . . . . . . A 94 LYS HE2 . 30911 1 199 . 1 . 1 18 18 LYS HE3 H 1 2.985 0.00 . . . . . . A 94 LYS HE3 . 30911 1 200 . 1 . 1 18 18 LYS CA C 13 58.827 0.13 . . . . . . A 94 LYS CA . 30911 1 201 . 1 . 1 18 18 LYS CB C 13 32.667 0.04 . . . . . . A 94 LYS CB . 30911 1 202 . 1 . 1 18 18 LYS CG C 13 25.132 0.00 . . . . . . A 94 LYS CG . 30911 1 203 . 1 . 1 18 18 LYS CD C 13 29.471 0.00 . . . . . . A 94 LYS CD . 30911 1 204 . 1 . 1 18 18 LYS CE C 13 42.178 0.00 . . . . . . A 94 LYS CE . 30911 1 205 . 1 . 1 18 18 LYS N N 15 121.101 0.00 . . . . . . A 94 LYS N . 30911 1 206 . 1 . 1 19 19 ASP H H 1 8.177 0.00 . . . . . . A 95 ASP H . 30911 1 207 . 1 . 1 19 19 ASP HA H 1 4.484 0.00 . . . . . . A 95 ASP HA . 30911 1 208 . 1 . 1 19 19 ASP HB2 H 1 2.731 0.00 . . . . . . A 95 ASP HB2 . 30911 1 209 . 1 . 1 19 19 ASP HB3 H 1 2.731 0.00 . . . . . . A 95 ASP HB3 . 30911 1 210 . 1 . 1 19 19 ASP CA C 13 56.517 0.04 . . . . . . A 95 ASP CA . 30911 1 211 . 1 . 1 19 19 ASP CB C 13 41.118 0.03 . . . . . . A 95 ASP CB . 30911 1 212 . 1 . 1 19 19 ASP N N 15 118.865 0.00 . . . . . . A 95 ASP N . 30911 1 213 . 1 . 1 20 20 LYS H H 1 8.007 0.00 . . . . . . A 96 LYS H . 30911 1 214 . 1 . 1 20 20 LYS HA H 1 4.075 0.01 . . . . . . A 96 LYS HA . 30911 1 215 . 1 . 1 20 20 LYS HB2 H 1 1.830 0.00 . . . . . . A 96 LYS HB2 . 30911 1 216 . 1 . 1 20 20 LYS HB3 H 1 1.830 0.00 . . . . . . A 96 LYS HB3 . 30911 1 217 . 1 . 1 20 20 LYS HG2 H 1 1.372 0.00 . . . . . . A 96 LYS HG2 . 30911 1 218 . 1 . 1 20 20 LYS HG3 H 1 1.372 0.00 . . . . . . A 96 LYS HG3 . 30911 1 219 . 1 . 1 20 20 LYS HD2 H 1 1.663 0.00 . . . . . . A 96 LYS HD2 . 30911 1 220 . 1 . 1 20 20 LYS HD3 H 1 1.663 0.00 . . . . . . A 96 LYS HD3 . 30911 1 221 . 1 . 1 20 20 LYS HE2 H 1 2.991 0.00 . . . . . . A 96 LYS HE2 . 30911 1 222 . 1 . 1 20 20 LYS HE3 H 1 2.991 0.00 . . . . . . A 96 LYS HE3 . 30911 1 223 . 1 . 1 20 20 LYS CA C 13 58.662 0.16 . . . . . . A 96 LYS CA . 30911 1 224 . 1 . 1 20 20 LYS CB C 13 32.579 0.03 . . . . . . A 96 LYS CB . 30911 1 225 . 1 . 1 20 20 LYS CG C 13 25.096 0.01 . . . . . . A 96 LYS CG . 30911 1 226 . 1 . 1 20 20 LYS CD C 13 29.365 0.00 . . . . . . A 96 LYS CD . 30911 1 227 . 1 . 1 20 20 LYS CE C 13 42.126 0.00 . . . . . . A 96 LYS CE . 30911 1 228 . 1 . 1 20 20 LYS N N 15 119.743 0.00 . . . . . . A 96 LYS N . 30911 1 229 . 1 . 1 21 21 PHE H H 1 8.234 0.00 . . . . . . A 97 PHE H . 30911 1 230 . 1 . 1 21 21 PHE HA H 1 4.449 0.00 . . . . . . A 97 PHE HA . 30911 1 231 . 1 . 1 21 21 PHE HB2 H 1 3.168 0.00 . . . . . . A 97 PHE HB2 . 30911 1 232 . 1 . 1 21 21 PHE HB3 H 1 3.168 0.00 . . . . . . A 97 PHE HB3 . 30911 1 233 . 1 . 1 21 21 PHE HD1 H 1 7.151 0.02 . . . . . . A 97 PHE HD1 . 30911 1 234 . 1 . 1 21 21 PHE HD2 H 1 7.154 0.02 . . . . . . A 97 PHE HD2 . 30911 1 235 . 1 . 1 21 21 PHE HE1 H 1 7.335 0.01 . . . . . . A 97 PHE HE1 . 30911 1 236 . 1 . 1 21 21 PHE HE2 H 1 7.331 0.00 . . . . . . A 97 PHE HE2 . 30911 1 237 . 1 . 1 21 21 PHE HZ H 1 7.311 0.00 . . . . . . A 97 PHE HZ . 30911 1 238 . 1 . 1 21 21 PHE CA C 13 59.878 0.08 . . . . . . A 97 PHE CA . 30911 1 239 . 1 . 1 21 21 PHE CB C 13 39.414 0.04 . . . . . . A 97 PHE CB . 30911 1 240 . 1 . 1 21 21 PHE CD1 C 13 131.843 0.28 . . . . . . A 97 PHE CD1 . 30911 1 241 . 1 . 1 21 21 PHE CD2 C 13 131.853 0.27 . . . . . . A 97 PHE CD2 . 30911 1 242 . 1 . 1 21 21 PHE CE1 C 13 131.395 0.01 . . . . . . A 97 PHE CE1 . 30911 1 243 . 1 . 1 21 21 PHE CE2 C 13 131.388 0.00 . . . . . . A 97 PHE CE2 . 30911 1 244 . 1 . 1 21 21 PHE CZ C 13 129.790 0.11 . . . . . . A 97 PHE CZ . 30911 1 245 . 1 . 1 21 21 PHE N N 15 119.598 0.00 . . . . . . A 97 PHE N . 30911 1 246 . 1 . 1 22 22 LEU H H 1 8.056 0.00 . . . . . . A 98 LEU H . 30911 1 247 . 1 . 1 22 22 LEU HA H 1 4.310 0.00 . . . . . . A 98 LEU HA . 30911 1 248 . 1 . 1 22 22 LEU HB2 H 1 1.610 0.00 . . . . . . A 98 LEU HB2 . 30911 1 249 . 1 . 1 22 22 LEU HB3 H 1 1.520 0.00 . . . . . . A 98 LEU HB3 . 30911 1 250 . 1 . 1 22 22 LEU HG H 1 1.510 0.00 . . . . . . A 98 LEU HG . 30911 1 251 . 1 . 1 22 22 LEU HD11 H 1 0.881 0.00 . . . . . . A 98 LEU HD11 . 30911 1 252 . 1 . 1 22 22 LEU HD12 H 1 0.881 0.00 . . . . . . A 98 LEU HD12 . 30911 1 253 . 1 . 1 22 22 LEU HD13 H 1 0.881 0.00 . . . . . . A 98 LEU HD13 . 30911 1 254 . 1 . 1 22 22 LEU HD21 H 1 0.842 0.00 . . . . . . A 98 LEU HD21 . 30911 1 255 . 1 . 1 22 22 LEU HD22 H 1 0.842 0.00 . . . . . . A 98 LEU HD22 . 30911 1 256 . 1 . 1 22 22 LEU HD23 H 1 0.842 0.00 . . . . . . A 98 LEU HD23 . 30911 1 257 . 1 . 1 22 22 LEU CA C 13 56.249 0.00 . . . . . . A 98 LEU CA . 30911 1 258 . 1 . 1 22 22 LEU CB C 13 42.059 0.00 . . . . . . A 98 LEU CB . 30911 1 259 . 1 . 1 22 22 LEU CG C 13 26.860 0.00 . . . . . . A 98 LEU CG . 30911 1 260 . 1 . 1 22 22 LEU CD1 C 13 26.151 0.04 . . . . . . A 98 LEU CD1 . 30911 1 261 . 1 . 1 22 22 LEU CD2 C 13 23.901 0.00 . . . . . . A 98 LEU CD2 . 30911 1 262 . 1 . 1 22 22 LEU N N 15 119.117 0.00 . . . . . . A 98 LEU N . 30911 1 263 . 1 . 1 23 23 LYS H H 1 8.134 0.00 . . . . . . A 99 LYS H . 30911 1 264 . 1 . 1 23 23 LYS HA H 1 4.260 0.00 . . . . . . A 99 LYS HA . 30911 1 265 . 1 . 1 23 23 LYS HB2 H 1 1.780 0.00 . . . . . . A 99 LYS HB2 . 30911 1 266 . 1 . 1 23 23 LYS HB3 H 1 1.750 0.00 . . . . . . A 99 LYS HB3 . 30911 1 267 . 1 . 1 23 23 LYS HG2 H 1 1.360 0.00 . . . . . . A 99 LYS HG2 . 30911 1 268 . 1 . 1 23 23 LYS HG3 H 1 1.350 0.00 . . . . . . A 99 LYS HG3 . 30911 1 269 . 1 . 1 23 23 LYS HD2 H 1 1.610 0.00 . . . . . . A 99 LYS HD2 . 30911 1 270 . 1 . 1 23 23 LYS HD3 H 1 1.590 0.00 . . . . . . A 99 LYS HD3 . 30911 1 271 . 1 . 1 23 23 LYS HE2 H 1 2.888 0.00 . . . . . . A 99 LYS HE2 . 30911 1 272 . 1 . 1 23 23 LYS HE3 H 1 2.883 0.00 . . . . . . A 99 LYS HE3 . 30911 1 273 . 1 . 1 23 23 LYS CA C 13 57.622 0.00 . . . . . . A 99 LYS CA . 30911 1 274 . 1 . 1 23 23 LYS CB C 13 32.980 0.00 . . . . . . A 99 LYS CB . 30911 1 275 . 1 . 1 23 23 LYS CG C 13 24.960 0.00 . . . . . . A 99 LYS CG . 30911 1 276 . 1 . 1 23 23 LYS CD C 13 29.030 0.00 . . . . . . A 99 LYS CD . 30911 1 277 . 1 . 1 23 23 LYS CE C 13 42.213 0.02 . . . . . . A 99 LYS CE . 30911 1 278 . 1 . 1 23 23 LYS N N 15 118.593 0.00 . . . . . . A 99 LYS N . 30911 1 279 . 1 . 1 24 24 HIS H H 1 7.403 0.00 . . . . . . A 100 HIS H . 30911 1 280 . 1 . 1 24 24 HIS HA H 1 4.600 0.00 . . . . . . A 100 HIS HA . 30911 1 281 . 1 . 1 24 24 HIS HB2 H 1 3.274 0.00 . . . . . . A 100 HIS HB2 . 30911 1 282 . 1 . 1 24 24 HIS HB3 H 1 3.145 0.00 . . . . . . A 100 HIS HB3 . 30911 1 283 . 1 . 1 24 24 HIS HD2 H 1 6.910 0.00 . . . . . . A 100 HIS HD2 . 30911 1 284 . 1 . 1 24 24 HIS CA C 13 57.823 0.05 . . . . . . A 100 HIS CA . 30911 1 285 . 1 . 1 24 24 HIS CB C 13 30.251 0.00 . . . . . . A 100 HIS CB . 30911 1 286 . 1 . 1 24 24 HIS CD2 C 13 119.670 0.00 . . . . . . A 100 HIS CD2 . 30911 1 287 . 1 . 1 24 24 HIS N N 15 108.328 0.00 . . . . . . A 100 HIS N . 30911 1 288 . 1 . 1 25 25 LEU H H 1 7.974 0.00 . . . . . . A 101 LEU H . 30911 1 289 . 1 . 1 25 25 LEU HA H 1 4.110 0.00 . . . . . . A 101 LEU HA . 30911 1 290 . 1 . 1 25 25 LEU HB2 H 1 1.610 0.00 . . . . . . A 101 LEU HB2 . 30911 1 291 . 1 . 1 25 25 LEU HB3 H 1 1.520 0.00 . . . . . . A 101 LEU HB3 . 30911 1 292 . 1 . 1 25 25 LEU HG H 1 0.983 0.00 . . . . . . A 101 LEU HG . 30911 1 293 . 1 . 1 25 25 LEU HD11 H 1 0.837 0.10 . . . . . . A 101 LEU HD11 . 30911 1 294 . 1 . 1 25 25 LEU HD12 H 1 0.837 0.10 . . . . . . A 101 LEU HD12 . 30911 1 295 . 1 . 1 25 25 LEU HD13 H 1 0.837 0.10 . . . . . . A 101 LEU HD13 . 30911 1 296 . 1 . 1 25 25 LEU HD21 H 1 0.843 0.00 . . . . . . A 101 LEU HD21 . 30911 1 297 . 1 . 1 25 25 LEU HD22 H 1 0.843 0.00 . . . . . . A 101 LEU HD22 . 30911 1 298 . 1 . 1 25 25 LEU HD23 H 1 0.843 0.00 . . . . . . A 101 LEU HD23 . 30911 1 299 . 1 . 1 25 25 LEU CA C 13 58.230 0.20 . . . . . . A 101 LEU CA . 30911 1 300 . 1 . 1 25 25 LEU CB C 13 42.170 0.00 . . . . . . A 101 LEU CB . 30911 1 301 . 1 . 1 25 25 LEU CG C 13 27.280 0.26 . . . . . . A 101 LEU CG . 30911 1 302 . 1 . 1 25 25 LEU CD1 C 13 26.084 0.29 . . . . . . A 101 LEU CD1 . 30911 1 303 . 1 . 1 25 25 LEU CD2 C 13 23.295 0.14 . . . . . . A 101 LEU CD2 . 30911 1 304 . 1 . 1 25 25 LEU N N 15 123.542 0.00 . . . . . . A 101 LEU N . 30911 1 305 . 1 . 1 26 26 THR H H 1 8.043 0.19 . . . . . . A 102 THR H . 30911 1 306 . 1 . 1 26 26 THR HA H 1 4.299 0.00 . . . . . . A 102 THR HA . 30911 1 307 . 1 . 1 26 26 THR HB H 1 4.277 0.00 . . . . . . A 102 THR HB . 30911 1 308 . 1 . 1 26 26 THR HG21 H 1 1.265 0.01 . . . . . . A 102 THR HG21 . 30911 1 309 . 1 . 1 26 26 THR HG22 H 1 1.265 0.01 . . . . . . A 102 THR HG22 . 30911 1 310 . 1 . 1 26 26 THR HG23 H 1 1.265 0.01 . . . . . . A 102 THR HG23 . 30911 1 311 . 1 . 1 26 26 THR CA C 13 62.459 0.10 . . . . . . A 102 THR CA . 30911 1 312 . 1 . 1 26 26 THR CB C 13 70.028 0.24 . . . . . . A 102 THR CB . 30911 1 313 . 1 . 1 26 26 THR CG2 C 13 21.622 0.01 . . . . . . A 102 THR CG2 . 30911 1 314 . 1 . 1 26 26 THR N N 15 115.756 0.00 . . . . . . A 102 THR N . 30911 1 315 . 1 . 1 27 27 GLY H H 1 8.004 0.00 . . . . . . A 103 GLY H . 30911 1 316 . 1 . 1 27 27 GLY HA2 H 1 4.214 0.00 . . . . . . A 103 GLY HA2 . 30911 1 317 . 1 . 1 27 27 GLY HA3 H 1 4.062 0.00 . . . . . . A 103 GLY HA3 . 30911 1 318 . 1 . 1 27 27 GLY CA C 13 45.408 0.02 . . . . . . A 103 GLY CA . 30911 1 319 . 1 . 1 27 27 GLY N N 15 110.686 0.00 . . . . . . A 103 GLY N . 30911 1 320 . 1 . 1 28 28 PRO HA H 1 4.342 0.00 . . . . . . A 104 PRO HA . 30911 1 321 . 1 . 1 28 28 PRO HB2 H 1 2.070 0.00 . . . . . . A 104 PRO HB2 . 30911 1 322 . 1 . 1 28 28 PRO HB3 H 1 2.000 0.00 . . . . . . A 104 PRO HB3 . 30911 1 323 . 1 . 1 28 28 PRO HG2 H 1 1.920 0.00 . . . . . . A 104 PRO HG2 . 30911 1 324 . 1 . 1 28 28 PRO HG3 H 1 1.890 0.00 . . . . . . A 104 PRO HG3 . 30911 1 325 . 1 . 1 28 28 PRO HD2 H 1 3.643 0.00 . . . . . . A 104 PRO HD2 . 30911 1 326 . 1 . 1 28 28 PRO HD3 H 1 3.619 0.00 . . . . . . A 104 PRO HD3 . 30911 1 327 . 1 . 1 28 28 PRO CA C 13 60.533 0.14 . . . . . . A 104 PRO CA . 30911 1 328 . 1 . 1 28 28 PRO CB C 13 31.990 0.00 . . . . . . A 104 PRO CB . 30911 1 329 . 1 . 1 28 28 PRO CG C 13 27.310 0.00 . . . . . . A 104 PRO CG . 30911 1 330 . 1 . 1 28 28 PRO CD C 13 50.099 0.03 . . . . . . A 104 PRO CD . 30911 1 331 . 1 . 1 29 29 LEU H H 1 8.634 0.00 . . . . . . A 105 LEU H . 30911 1 332 . 1 . 1 29 29 LEU HA H 1 4.212 0.00 . . . . . . A 105 LEU HA . 30911 1 333 . 1 . 1 29 29 LEU HB2 H 1 1.610 0.00 . . . . . . A 105 LEU HB2 . 30911 1 334 . 1 . 1 29 29 LEU HB3 H 1 1.520 0.00 . . . . . . A 105 LEU HB3 . 30911 1 335 . 1 . 1 29 29 LEU HG H 1 1.510 0.00 . . . . . . A 105 LEU HG . 30911 1 336 . 1 . 1 29 29 LEU HD11 H 1 0.906 0.02 . . . . . . A 105 LEU HD11 . 30911 1 337 . 1 . 1 29 29 LEU HD12 H 1 0.906 0.02 . . . . . . A 105 LEU HD12 . 30911 1 338 . 1 . 1 29 29 LEU HD13 H 1 0.906 0.02 . . . . . . A 105 LEU HD13 . 30911 1 339 . 1 . 1 29 29 LEU HD21 H 1 0.820 0.04 . . . . . . A 105 LEU HD21 . 30911 1 340 . 1 . 1 29 29 LEU HD22 H 1 0.820 0.04 . . . . . . A 105 LEU HD22 . 30911 1 341 . 1 . 1 29 29 LEU HD23 H 1 0.820 0.04 . . . . . . A 105 LEU HD23 . 30911 1 342 . 1 . 1 29 29 LEU CA C 13 58.238 0.07 . . . . . . A 105 LEU CA . 30911 1 343 . 1 . 1 29 29 LEU CB C 13 42.138 0.04 . . . . . . A 105 LEU CB . 30911 1 344 . 1 . 1 29 29 LEU CG C 13 27.151 0.00 . . . . . . A 105 LEU CG . 30911 1 345 . 1 . 1 29 29 LEU CD1 C 13 25.610 0.11 . . . . . . A 105 LEU CD1 . 30911 1 346 . 1 . 1 29 29 LEU CD2 C 13 23.878 0.10 . . . . . . A 105 LEU CD2 . 30911 1 347 . 1 . 1 29 29 LEU N N 15 119.616 0.00 . . . . . . A 105 LEU N . 30911 1 348 . 1 . 1 30 30 TYR H H 1 8.031 0.00 . . . . . . A 106 TYR H . 30911 1 349 . 1 . 1 30 30 TYR HA H 1 4.623 0.00 . . . . . . A 106 TYR HA . 30911 1 350 . 1 . 1 30 30 TYR HB2 H 1 2.880 0.00 . . . . . . A 106 TYR HB2 . 30911 1 351 . 1 . 1 30 30 TYR HB3 H 1 2.820 0.00 . . . . . . A 106 TYR HB3 . 30911 1 352 . 1 . 1 30 30 TYR HD1 H 1 7.060 0.01 . . . . . . A 106 TYR HD1 . 30911 1 353 . 1 . 1 30 30 TYR HD2 H 1 7.059 0.01 . . . . . . A 106 TYR HD2 . 30911 1 354 . 1 . 1 30 30 TYR HE1 H 1 6.783 0.05 . . . . . . A 106 TYR HE1 . 30911 1 355 . 1 . 1 30 30 TYR HE2 H 1 6.782 0.04 . . . . . . A 106 TYR HE2 . 30911 1 356 . 1 . 1 30 30 TYR CA C 13 58.368 0.00 . . . . . . A 106 TYR CA . 30911 1 357 . 1 . 1 30 30 TYR CB C 13 39.500 0.00 . . . . . . A 106 TYR CB . 30911 1 358 . 1 . 1 30 30 TYR CD1 C 13 133.310 0.10 . . . . . . A 106 TYR CD1 . 30911 1 359 . 1 . 1 30 30 TYR CD2 C 13 133.310 0.10 . . . . . . A 106 TYR CD2 . 30911 1 360 . 1 . 1 30 30 TYR CE1 C 13 117.720 0.32 . . . . . . A 106 TYR CE1 . 30911 1 361 . 1 . 1 30 30 TYR CE2 C 13 117.726 0.32 . . . . . . A 106 TYR CE2 . 30911 1 362 . 1 . 1 30 30 TYR N N 15 116.664 0.00 . . . . . . A 106 TYR N . 30911 1 363 . 1 . 1 31 31 PHE H H 1 7.782 0.00 . . . . . . A 107 PHE H . 30911 1 364 . 1 . 1 31 31 PHE HA H 1 4.642 0.00 . . . . . . A 107 PHE HA . 30911 1 365 . 1 . 1 31 31 PHE HD1 H 1 7.138 0.01 . . . . . . A 107 PHE HD1 . 30911 1 366 . 1 . 1 31 31 PHE HD2 H 1 7.132 0.00 . . . . . . A 107 PHE HD2 . 30911 1 367 . 1 . 1 31 31 PHE HE1 H 1 7.292 0.00 . . . . . . A 107 PHE HE1 . 30911 1 368 . 1 . 1 31 31 PHE HE2 H 1 7.290 0.00 . . . . . . A 107 PHE HE2 . 30911 1 369 . 1 . 1 31 31 PHE HZ H 1 6.980 0.00 . . . . . . A 107 PHE HZ . 30911 1 370 . 1 . 1 31 31 PHE CA C 13 59.446 0.05 . . . . . . A 107 PHE CA . 30911 1 371 . 1 . 1 31 31 PHE CB C 13 37.505 0.00 . . . . . . A 107 PHE CB . 30911 1 372 . 1 . 1 31 31 PHE CD1 C 13 132.523 0.24 . . . . . . A 107 PHE CD1 . 30911 1 373 . 1 . 1 31 31 PHE CD2 C 13 132.531 0.26 . . . . . . A 107 PHE CD2 . 30911 1 374 . 1 . 1 31 31 PHE CE1 C 13 131.738 0.05 . . . . . . A 107 PHE CE1 . 30911 1 375 . 1 . 1 31 31 PHE CE2 C 13 131.722 0.06 . . . . . . A 107 PHE CE2 . 30911 1 376 . 1 . 1 31 31 PHE CZ C 13 128.990 0.00 . . . . . . A 107 PHE CZ . 30911 1 377 . 1 . 1 31 31 PHE N N 15 120.553 0.00 . . . . . . A 107 PHE N . 30911 1 378 . 1 . 1 33 33 PRO HA H 1 4.401 0.00 . . . . . . A 109 PRO HA . 30911 1 379 . 1 . 1 33 33 PRO HB2 H 1 2.070 0.00 . . . . . . A 109 PRO HB2 . 30911 1 380 . 1 . 1 33 33 PRO HB3 H 1 2.000 0.00 . . . . . . A 109 PRO HB3 . 30911 1 381 . 1 . 1 33 33 PRO HG2 H 1 1.920 0.00 . . . . . . A 109 PRO HG2 . 30911 1 382 . 1 . 1 33 33 PRO HG3 H 1 1.890 0.00 . . . . . . A 109 PRO HG3 . 30911 1 383 . 1 . 1 33 33 PRO HD2 H 1 3.689 0.00 . . . . . . A 109 PRO HD2 . 30911 1 384 . 1 . 1 33 33 PRO HD3 H 1 3.634 0.00 . . . . . . A 109 PRO HD3 . 30911 1 385 . 1 . 1 33 33 PRO CA C 13 65.688 0.06 . . . . . . A 109 PRO CA . 30911 1 386 . 1 . 1 33 33 PRO CB C 13 32.245 0.00 . . . . . . A 109 PRO CB . 30911 1 387 . 1 . 1 33 33 PRO CG C 13 27.310 0.00 . . . . . . A 109 PRO CG . 30911 1 388 . 1 . 1 33 33 PRO CD C 13 52.281 0.02 . . . . . . A 109 PRO CD . 30911 1 389 . 1 . 1 34 34 LYS H H 1 8.304 0.00 . . . . . . A 110 LYS H . 30911 1 390 . 1 . 1 34 34 LYS HA H 1 4.234 0.00 . . . . . . A 110 LYS HA . 30911 1 391 . 1 . 1 34 34 LYS HB2 H 1 1.780 0.00 . . . . . . A 110 LYS HB2 . 30911 1 392 . 1 . 1 34 34 LYS HB3 H 1 1.750 0.00 . . . . . . A 110 LYS HB3 . 30911 1 393 . 1 . 1 34 34 LYS HG2 H 1 1.360 0.00 . . . . . . A 110 LYS HG2 . 30911 1 394 . 1 . 1 34 34 LYS HG3 H 1 1.350 0.00 . . . . . . A 110 LYS HG3 . 30911 1 395 . 1 . 1 34 34 LYS HD2 H 1 1.610 0.00 . . . . . . A 110 LYS HD2 . 30911 1 396 . 1 . 1 34 34 LYS HD3 H 1 1.590 0.00 . . . . . . A 110 LYS HD3 . 30911 1 397 . 1 . 1 34 34 LYS HE2 H 1 2.964 0.00 . . . . . . A 110 LYS HE2 . 30911 1 398 . 1 . 1 34 34 LYS HE3 H 1 2.923 0.00 . . . . . . A 110 LYS HE3 . 30911 1 399 . 1 . 1 34 34 LYS CA C 13 59.093 0.07 . . . . . . A 110 LYS CA . 30911 1 400 . 1 . 1 34 34 LYS CB C 13 32.480 0.04 . . . . . . A 110 LYS CB . 30911 1 401 . 1 . 1 34 34 LYS CG C 13 24.992 0.05 . . . . . . A 110 LYS CG . 30911 1 402 . 1 . 1 34 34 LYS CD C 13 29.175 0.20 . . . . . . A 110 LYS CD . 30911 1 403 . 1 . 1 34 34 LYS CE C 13 42.196 0.06 . . . . . . A 110 LYS CE . 30911 1 404 . 1 . 1 34 34 LYS N N 15 117.165 0.00 . . . . . . A 110 LYS N . 30911 1 405 . 1 . 1 35 35 CYS H H 1 7.711 0.00 . . . . . . A 111 CYS H . 30911 1 406 . 1 . 1 35 35 CYS HA H 1 4.660 0.00 . . . . . . A 111 CYS HA . 30911 1 407 . 1 . 1 35 35 CYS CA C 13 58.000 0.00 . . . . . . A 111 CYS CA . 30911 1 408 . 1 . 1 35 35 CYS N N 15 120.185 0.00 . . . . . . A 111 CYS N . 30911 1 409 . 1 . 1 38 38 HIS H H 1 7.767 0.00 . . . . . . A 114 HIS H . 30911 1 410 . 1 . 1 38 38 HIS HA H 1 4.600 0.00 . . . . . . A 114 HIS HA . 30911 1 411 . 1 . 1 38 38 HIS HB2 H 1 3.110 0.00 . . . . . . A 114 HIS HB2 . 30911 1 412 . 1 . 1 38 38 HIS HD1 H 1 7.044 0.00 . . . . . . A 114 HIS HD1 . 30911 1 413 . 1 . 1 38 38 HIS HD2 H 1 6.910 0.00 . . . . . . A 114 HIS HD2 . 30911 1 414 . 1 . 1 38 38 HIS HE1 H 1 7.840 0.00 . . . . . . A 114 HIS HE1 . 30911 1 415 . 1 . 1 38 38 HIS CA C 13 56.570 0.00 . . . . . . A 114 HIS CA . 30911 1 416 . 1 . 1 38 38 HIS CB C 13 30.540 0.00 . . . . . . A 114 HIS CB . 30911 1 417 . 1 . 1 38 38 HIS CD2 C 13 119.670 0.00 . . . . . . A 114 HIS CD2 . 30911 1 418 . 1 . 1 38 38 HIS CE1 C 13 137.390 0.00 . . . . . . A 114 HIS CE1 . 30911 1 419 . 1 . 1 38 38 HIS N N 15 119.948 0.00 . . . . . . A 114 HIS N . 30911 1 420 . 1 . 1 38 38 HIS ND1 N 15 171.369 0.00 . . . . . . A 114 HIS ND1 . 30911 1 421 . 1 . 1 39 39 PHE H H 1 8.570 0.00 . . . . . . A 115 PHE H . 30911 1 422 . 1 . 1 39 39 PHE HA H 1 4.642 0.00 . . . . . . A 115 PHE HA . 30911 1 423 . 1 . 1 39 39 PHE HB2 H 1 3.032 0.00 . . . . . . A 115 PHE HB2 . 30911 1 424 . 1 . 1 39 39 PHE HB3 H 1 3.032 0.00 . . . . . . A 115 PHE HB3 . 30911 1 425 . 1 . 1 39 39 PHE HD1 H 1 7.063 0.14 . . . . . . A 115 PHE HD1 . 30911 1 426 . 1 . 1 39 39 PHE HD2 H 1 7.064 0.14 . . . . . . A 115 PHE HD2 . 30911 1 427 . 1 . 1 39 39 PHE HE1 H 1 7.037 0.01 . . . . . . A 115 PHE HE1 . 30911 1 428 . 1 . 1 39 39 PHE HE2 H 1 7.029 0.00 . . . . . . A 115 PHE HE2 . 30911 1 429 . 1 . 1 39 39 PHE HZ H 1 7.042 0.01 . . . . . . A 115 PHE HZ . 30911 1 430 . 1 . 1 39 39 PHE CA C 13 61.755 0.06 . . . . . . A 115 PHE CA . 30911 1 431 . 1 . 1 39 39 PHE CB C 13 39.451 0.00 . . . . . . A 115 PHE CB . 30911 1 432 . 1 . 1 39 39 PHE CD1 C 13 131.727 0.19 . . . . . . A 115 PHE CD1 . 30911 1 433 . 1 . 1 39 39 PHE CD2 C 13 131.733 0.19 . . . . . . A 115 PHE CD2 . 30911 1 434 . 1 . 1 39 39 PHE CE1 C 13 130.682 0.13 . . . . . . A 115 PHE CE1 . 30911 1 435 . 1 . 1 39 39 PHE CE2 C 13 130.582 0.00 . . . . . . A 115 PHE CE2 . 30911 1 436 . 1 . 1 39 39 PHE CZ C 13 129.116 0.12 . . . . . . A 115 PHE CZ . 30911 1 437 . 1 . 1 39 39 PHE N N 15 119.768 0.00 . . . . . . A 115 PHE N . 30911 1 438 . 1 . 1 40 40 HIS H H 1 8.416 0.00 . . . . . . A 116 HIS H . 30911 1 439 . 1 . 1 40 40 HIS HA H 1 4.626 0.00 . . . . . . A 116 HIS HA . 30911 1 440 . 1 . 1 40 40 HIS HB2 H 1 3.340 0.00 . . . . . . A 116 HIS HB2 . 30911 1 441 . 1 . 1 40 40 HIS HB3 H 1 3.326 0.01 . . . . . . A 116 HIS HB3 . 30911 1 442 . 1 . 1 40 40 HIS HD2 H 1 7.092 0.01 . . . . . . A 116 HIS HD2 . 30911 1 443 . 1 . 1 40 40 HIS HE1 H 1 7.840 0.00 . . . . . . A 116 HIS HE1 . 30911 1 444 . 1 . 1 40 40 HIS CA C 13 61.348 0.05 . . . . . . A 116 HIS CA . 30911 1 445 . 1 . 1 40 40 HIS CB C 13 30.971 0.02 . . . . . . A 116 HIS CB . 30911 1 446 . 1 . 1 40 40 HIS CD2 C 13 119.878 0.03 . . . . . . A 116 HIS CD2 . 30911 1 447 . 1 . 1 40 40 HIS CE1 C 13 137.390 0.00 . . . . . . A 116 HIS CE1 . 30911 1 448 . 1 . 1 40 40 HIS N N 15 117.893 0.00 . . . . . . A 116 HIS N . 30911 1 449 . 1 . 1 41 41 ARG H H 1 8.038 0.00 . . . . . . A 117 ARG H . 30911 1 450 . 1 . 1 41 41 ARG HA H 1 4.300 0.00 . . . . . . A 117 ARG HA . 30911 1 451 . 1 . 1 41 41 ARG HB2 H 1 1.790 0.00 . . . . . . A 117 ARG HB2 . 30911 1 452 . 1 . 1 41 41 ARG HB3 H 1 1.760 0.00 . . . . . . A 117 ARG HB3 . 30911 1 453 . 1 . 1 41 41 ARG HG2 H 1 1.560 0.00 . . . . . . A 117 ARG HG2 . 30911 1 454 . 1 . 1 41 41 ARG HG3 H 1 1.540 0.00 . . . . . . A 117 ARG HG3 . 30911 1 455 . 1 . 1 41 41 ARG HD2 H 1 3.110 0.00 . . . . . . A 117 ARG HD2 . 30911 1 456 . 1 . 1 41 41 ARG HD3 H 1 3.080 0.00 . . . . . . A 117 ARG HD3 . 30911 1 457 . 1 . 1 41 41 ARG CA C 13 59.403 0.00 . . . . . . A 117 ARG CA . 30911 1 458 . 1 . 1 41 41 ARG CB C 13 30.890 0.00 . . . . . . A 117 ARG CB . 30911 1 459 . 1 . 1 41 41 ARG CG C 13 27.260 0.00 . . . . . . A 117 ARG CG . 30911 1 460 . 1 . 1 41 41 ARG CD C 13 43.200 0.00 . . . . . . A 117 ARG CD . 30911 1 461 . 1 . 1 41 41 ARG N N 15 118.128 0.00 . . . . . . A 117 ARG N . 30911 1 462 . 1 . 1 42 42 LEU H H 1 8.020 0.00 . . . . . . A 118 LEU H . 30911 1 463 . 1 . 1 42 42 LEU HA H 1 4.114 0.01 . . . . . . A 118 LEU HA . 30911 1 464 . 1 . 1 42 42 LEU HB2 H 1 1.610 0.00 . . . . . . A 118 LEU HB2 . 30911 1 465 . 1 . 1 42 42 LEU HB3 H 1 1.520 0.00 . . . . . . A 118 LEU HB3 . 30911 1 466 . 1 . 1 42 42 LEU HG H 1 1.510 0.00 . . . . . . A 118 LEU HG . 30911 1 467 . 1 . 1 42 42 LEU HD11 H 1 0.979 0.02 . . . . . . A 118 LEU HD11 . 30911 1 468 . 1 . 1 42 42 LEU HD12 H 1 0.979 0.02 . . . . . . A 118 LEU HD12 . 30911 1 469 . 1 . 1 42 42 LEU HD13 H 1 0.979 0.02 . . . . . . A 118 LEU HD13 . 30911 1 470 . 1 . 1 42 42 LEU HD21 H 1 0.966 0.00 . . . . . . A 118 LEU HD21 . 30911 1 471 . 1 . 1 42 42 LEU HD22 H 1 0.966 0.00 . . . . . . A 118 LEU HD22 . 30911 1 472 . 1 . 1 42 42 LEU HD23 H 1 0.966 0.00 . . . . . . A 118 LEU HD23 . 30911 1 473 . 1 . 1 42 42 LEU CA C 13 58.229 0.07 . . . . . . A 118 LEU CA . 30911 1 474 . 1 . 1 42 42 LEU CB C 13 42.304 0.12 . . . . . . A 118 LEU CB . 30911 1 475 . 1 . 1 42 42 LEU CG C 13 26.860 0.00 . . . . . . A 118 LEU CG . 30911 1 476 . 1 . 1 42 42 LEU CD1 C 13 25.564 0.03 . . . . . . A 118 LEU CD1 . 30911 1 477 . 1 . 1 42 42 LEU CD2 C 13 23.647 0.04 . . . . . . A 118 LEU CD2 . 30911 1 478 . 1 . 1 42 42 LEU N N 15 121.317 0.00 . . . . . . A 118 LEU N . 30911 1 479 . 1 . 1 43 43 TYR H H 1 8.070 0.00 . . . . . . A 119 TYR H . 30911 1 480 . 1 . 1 43 43 TYR HA H 1 4.620 0.00 . . . . . . A 119 TYR HA . 30911 1 481 . 1 . 1 43 43 TYR HB2 H 1 2.880 0.00 . . . . . . A 119 TYR HB2 . 30911 1 482 . 1 . 1 43 43 TYR HB3 H 1 2.820 0.00 . . . . . . A 119 TYR HB3 . 30911 1 483 . 1 . 1 43 43 TYR HD1 H 1 6.242 0.03 . . . . . . A 119 TYR HD1 . 30911 1 484 . 1 . 1 43 43 TYR HD2 H 1 6.242 0.03 . . . . . . A 119 TYR HD2 . 30911 1 485 . 1 . 1 43 43 TYR HE1 H 1 6.610 0.01 . . . . . . A 119 TYR HE1 . 30911 1 486 . 1 . 1 43 43 TYR HE2 H 1 6.610 0.01 . . . . . . A 119 TYR HE2 . 30911 1 487 . 1 . 1 43 43 TYR CA C 13 58.417 0.00 . . . . . . A 119 TYR CA . 30911 1 488 . 1 . 1 43 43 TYR CB C 13 39.500 0.00 . . . . . . A 119 TYR CB . 30911 1 489 . 1 . 1 43 43 TYR CD1 C 13 132.462 0.10 . . . . . . A 119 TYR CD1 . 30911 1 490 . 1 . 1 43 43 TYR CD2 C 13 132.462 0.10 . . . . . . A 119 TYR CD2 . 30911 1 491 . 1 . 1 43 43 TYR CE1 C 13 118.250 0.07 . . . . . . A 119 TYR CE1 . 30911 1 492 . 1 . 1 43 43 TYR CE2 C 13 118.251 0.07 . . . . . . A 119 TYR CE2 . 30911 1 493 . 1 . 1 43 43 TYR N N 15 119.168 0.00 . . . . . . A 119 TYR N . 30911 1 494 . 1 . 1 44 44 HIS H H 1 7.874 0.00 . . . . . . A 120 HIS H . 30911 1 495 . 1 . 1 44 44 HIS HA H 1 4.600 0.00 . . . . . . A 120 HIS HA . 30911 1 496 . 1 . 1 44 44 HIS HB2 H 1 3.110 0.00 . . . . . . A 120 HIS HB2 . 30911 1 497 . 1 . 1 44 44 HIS HD2 H 1 7.036 0.01 . . . . . . A 120 HIS HD2 . 30911 1 498 . 1 . 1 44 44 HIS HE1 H 1 7.840 0.00 . . . . . . A 120 HIS HE1 . 30911 1 499 . 1 . 1 44 44 HIS CA C 13 57.867 0.03 . . . . . . A 120 HIS CA . 30911 1 500 . 1 . 1 44 44 HIS CB C 13 30.677 0.00 . . . . . . A 120 HIS CB . 30911 1 501 . 1 . 1 44 44 HIS CD2 C 13 118.834 0.07 . . . . . . A 120 HIS CD2 . 30911 1 502 . 1 . 1 44 44 HIS CE1 C 13 137.390 0.00 . . . . . . A 120 HIS CE1 . 30911 1 503 . 1 . 1 44 44 HIS N N 15 117.881 0.00 . . . . . . A 120 HIS N . 30911 1 504 . 1 . 1 45 45 ASN H H 1 7.826 0.00 . . . . . . A 121 ASN H . 30911 1 505 . 1 . 1 45 45 ASN HA H 1 5.071 0.01 . . . . . . A 121 ASN HA . 30911 1 506 . 1 . 1 45 45 ASN HB2 H 1 3.055 0.00 . . . . . . A 121 ASN HB2 . 30911 1 507 . 1 . 1 45 45 ASN HB3 H 1 2.884 0.00 . . . . . . A 121 ASN HB3 . 30911 1 508 . 1 . 1 45 45 ASN CA C 13 53.515 0.04 . . . . . . A 121 ASN CA . 30911 1 509 . 1 . 1 45 45 ASN CB C 13 40.316 0.01 . . . . . . A 121 ASN CB . 30911 1 510 . 1 . 1 45 45 ASN N N 15 115.066 0.00 . . . . . . A 121 ASN N . 30911 1 511 . 1 . 1 46 46 THR H H 1 8.384 0.00 . . . . . . A 122 THR H . 30911 1 512 . 1 . 1 46 46 THR HA H 1 4.633 0.01 . . . . . . A 122 THR HA . 30911 1 513 . 1 . 1 46 46 THR HB H 1 4.347 0.00 . . . . . . A 122 THR HB . 30911 1 514 . 1 . 1 46 46 THR HG21 H 1 1.409 0.01 . . . . . . A 122 THR HG21 . 30911 1 515 . 1 . 1 46 46 THR HG22 H 1 1.409 0.01 . . . . . . A 122 THR HG22 . 30911 1 516 . 1 . 1 46 46 THR HG23 H 1 1.409 0.01 . . . . . . A 122 THR HG23 . 30911 1 517 . 1 . 1 46 46 THR CA C 13 61.343 0.27 . . . . . . A 122 THR CA . 30911 1 518 . 1 . 1 46 46 THR CB C 13 71.072 0.10 . . . . . . A 122 THR CB . 30911 1 519 . 1 . 1 46 46 THR CG2 C 13 22.381 0.03 . . . . . . A 122 THR CG2 . 30911 1 520 . 1 . 1 46 46 THR N N 15 115.504 0.00 . . . . . . A 122 THR N . 30911 1 521 . 1 . 1 48 48 ASP H H 1 7.394 0.00 . . . . . . A 124 ASP H . 30911 1 522 . 1 . 1 48 48 ASP N N 15 108.368 0.00 . . . . . . A 124 ASP N . 30911 1 523 . 1 . 1 49 49 CYS H H 1 7.070 0.00 . . . . . . A 125 CYS H . 30911 1 524 . 1 . 1 49 49 CYS HA H 1 4.660 0.00 . . . . . . A 125 CYS HA . 30911 1 525 . 1 . 1 49 49 CYS CA C 13 54.413 0.00 . . . . . . A 125 CYS CA . 30911 1 526 . 1 . 1 49 49 CYS N N 15 111.263 0.00 . . . . . . A 125 CYS N . 30911 1 527 . 1 . 1 50 50 THR H H 1 8.044 0.18 . . . . . . A 126 THR H . 30911 1 528 . 1 . 1 50 50 THR HA H 1 4.641 0.00 . . . . . . A 126 THR HA . 30911 1 529 . 1 . 1 50 50 THR HB H 1 4.412 0.00 . . . . . . A 126 THR HB . 30911 1 530 . 1 . 1 50 50 THR HG21 H 1 1.162 0.00 . . . . . . A 126 THR HG21 . 30911 1 531 . 1 . 1 50 50 THR HG22 H 1 1.162 0.00 . . . . . . A 126 THR HG22 . 30911 1 532 . 1 . 1 50 50 THR HG23 H 1 1.162 0.00 . . . . . . A 126 THR HG23 . 30911 1 533 . 1 . 1 50 50 THR CA C 13 62.153 0.14 . . . . . . A 126 THR CA . 30911 1 534 . 1 . 1 50 50 THR CB C 13 70.455 0.05 . . . . . . A 126 THR CB . 30911 1 535 . 1 . 1 50 50 THR CG2 C 13 21.678 0.00 . . . . . . A 126 THR CG2 . 30911 1 536 . 1 . 1 50 50 THR N N 15 108.674 0.00 . . . . . . A 126 THR N . 30911 1 537 . 1 . 1 51 51 ILE H H 1 7.400 0.00 . . . . . . A 127 ILE H . 30911 1 538 . 1 . 1 51 51 ILE HA H 1 4.623 0.00 . . . . . . A 127 ILE HA . 30911 1 539 . 1 . 1 51 51 ILE HB H 1 1.999 0.00 . . . . . . A 127 ILE HB . 30911 1 540 . 1 . 1 51 51 ILE HG12 H 1 1.679 0.00 . . . . . . A 127 ILE HG12 . 30911 1 541 . 1 . 1 51 51 ILE HG13 H 1 1.240 0.00 . . . . . . A 127 ILE HG13 . 30911 1 542 . 1 . 1 51 51 ILE HG21 H 1 0.710 0.01 . . . . . . A 127 ILE HG21 . 30911 1 543 . 1 . 1 51 51 ILE HG22 H 1 0.710 0.01 . . . . . . A 127 ILE HG22 . 30911 1 544 . 1 . 1 51 51 ILE HG23 H 1 0.710 0.01 . . . . . . A 127 ILE HG23 . 30911 1 545 . 1 . 1 51 51 ILE HD11 H 1 0.887 0.00 . . . . . . A 127 ILE HD11 . 30911 1 546 . 1 . 1 51 51 ILE HD12 H 1 0.887 0.00 . . . . . . A 127 ILE HD12 . 30911 1 547 . 1 . 1 51 51 ILE HD13 H 1 0.887 0.00 . . . . . . A 127 ILE HD13 . 30911 1 548 . 1 . 1 51 51 ILE CA C 13 58.077 0.01 . . . . . . A 127 ILE CA . 30911 1 549 . 1 . 1 51 51 ILE CB C 13 39.158 0.08 . . . . . . A 127 ILE CB . 30911 1 550 . 1 . 1 51 51 ILE CG1 C 13 27.075 0.03 . . . . . . A 127 ILE CG1 . 30911 1 551 . 1 . 1 51 51 ILE CG2 C 13 17.185 0.03 . . . . . . A 127 ILE CG2 . 30911 1 552 . 1 . 1 51 51 ILE CD1 C 13 12.583 0.04 . . . . . . A 127 ILE CD1 . 30911 1 553 . 1 . 1 51 51 ILE N N 15 124.761 0.00 . . . . . . A 127 ILE N . 30911 1 554 . 1 . 1 52 52 PRO HA H 1 4.411 0.00 . . . . . . A 128 PRO HA . 30911 1 555 . 1 . 1 52 52 PRO HB2 H 1 2.070 0.00 . . . . . . A 128 PRO HB2 . 30911 1 556 . 1 . 1 52 52 PRO HB3 H 1 2.000 0.00 . . . . . . A 128 PRO HB3 . 30911 1 557 . 1 . 1 52 52 PRO HG2 H 1 1.920 0.00 . . . . . . A 128 PRO HG2 . 30911 1 558 . 1 . 1 52 52 PRO HG3 H 1 1.890 0.00 . . . . . . A 128 PRO HG3 . 30911 1 559 . 1 . 1 52 52 PRO HD2 H 1 3.700 0.00 . . . . . . A 128 PRO HD2 . 30911 1 560 . 1 . 1 52 52 PRO HD3 H 1 3.694 0.00 . . . . . . A 128 PRO HD3 . 30911 1 561 . 1 . 1 52 52 PRO CA C 13 65.359 0.13 . . . . . . A 128 PRO CA . 30911 1 562 . 1 . 1 52 52 PRO CB C 13 32.001 0.00 . . . . . . A 128 PRO CB . 30911 1 563 . 1 . 1 52 52 PRO CG C 13 27.310 0.00 . . . . . . A 128 PRO CG . 30911 1 564 . 1 . 1 52 52 PRO CD C 13 51.145 0.04 . . . . . . A 128 PRO CD . 30911 1 565 . 1 . 1 53 53 ALA H H 1 7.890 0.00 . . . . . . A 129 ALA H . 30911 1 566 . 1 . 1 53 53 ALA HA H 1 4.090 0.00 . . . . . . A 129 ALA HA . 30911 1 567 . 1 . 1 53 53 ALA HB1 H 1 1.086 0.00 . . . . . . A 129 ALA HB1 . 30911 1 568 . 1 . 1 53 53 ALA HB2 H 1 1.086 0.00 . . . . . . A 129 ALA HB2 . 30911 1 569 . 1 . 1 53 53 ALA HB3 H 1 1.086 0.00 . . . . . . A 129 ALA HB3 . 30911 1 570 . 1 . 1 53 53 ALA CA C 13 54.303 0.07 . . . . . . A 129 ALA CA . 30911 1 571 . 1 . 1 53 53 ALA CB C 13 18.400 0.03 . . . . . . A 129 ALA CB . 30911 1 572 . 1 . 1 53 53 ALA N N 15 117.292 0.00 . . . . . . A 129 ALA N . 30911 1 573 . 1 . 1 54 54 TYR H H 1 8.205 0.00 . . . . . . A 130 TYR H . 30911 1 574 . 1 . 1 54 54 TYR HA H 1 5.176 0.00 . . . . . . A 130 TYR HA . 30911 1 575 . 1 . 1 54 54 TYR HB2 H 1 3.718 0.00 . . . . . . A 130 TYR HB2 . 30911 1 576 . 1 . 1 54 54 TYR HB3 H 1 3.324 0.00 . . . . . . A 130 TYR HB3 . 30911 1 577 . 1 . 1 54 54 TYR HD1 H 1 7.044 0.01 . . . . . . A 130 TYR HD1 . 30911 1 578 . 1 . 1 54 54 TYR HD2 H 1 7.044 0.01 . . . . . . A 130 TYR HD2 . 30911 1 579 . 1 . 1 54 54 TYR HE1 H 1 6.768 0.04 . . . . . . A 130 TYR HE1 . 30911 1 580 . 1 . 1 54 54 TYR HE2 H 1 6.770 0.04 . . . . . . A 130 TYR HE2 . 30911 1 581 . 1 . 1 54 54 TYR CA C 13 55.428 0.05 . . . . . . A 130 TYR CA . 30911 1 582 . 1 . 1 54 54 TYR CB C 13 38.258 0.04 . . . . . . A 130 TYR CB . 30911 1 583 . 1 . 1 54 54 TYR CD1 C 13 131.790 0.07 . . . . . . A 130 TYR CD1 . 30911 1 584 . 1 . 1 54 54 TYR CD2 C 13 131.803 0.09 . . . . . . A 130 TYR CD2 . 30911 1 585 . 1 . 1 54 54 TYR CE1 C 13 117.987 0.06 . . . . . . A 130 TYR CE1 . 30911 1 586 . 1 . 1 54 54 TYR CE2 C 13 118.004 0.05 . . . . . . A 130 TYR CE2 . 30911 1 587 . 1 . 1 54 54 TYR N N 15 116.242 0.00 . . . . . . A 130 TYR N . 30911 1 588 . 1 . 1 55 55 TYR H H 1 7.782 0.00 . . . . . . A 131 TYR H . 30911 1 589 . 1 . 1 55 55 TYR HA H 1 4.610 0.00 . . . . . . A 131 TYR HA . 30911 1 590 . 1 . 1 55 55 TYR HB2 H 1 2.880 0.00 . . . . . . A 131 TYR HB2 . 30911 1 591 . 1 . 1 55 55 TYR HB3 H 1 2.820 0.00 . . . . . . A 131 TYR HB3 . 30911 1 592 . 1 . 1 55 55 TYR HD1 H 1 7.129 0.01 . . . . . . A 131 TYR HD1 . 30911 1 593 . 1 . 1 55 55 TYR HD2 H 1 7.128 0.01 . . . . . . A 131 TYR HD2 . 30911 1 594 . 1 . 1 55 55 TYR HE1 H 1 6.657 0.03 . . . . . . A 131 TYR HE1 . 30911 1 595 . 1 . 1 55 55 TYR HE2 H 1 6.659 0.03 . . . . . . A 131 TYR HE2 . 30911 1 596 . 1 . 1 55 55 TYR CA C 13 58.270 0.00 . . . . . . A 131 TYR CA . 30911 1 597 . 1 . 1 55 55 TYR CB C 13 39.500 0.00 . . . . . . A 131 TYR CB . 30911 1 598 . 1 . 1 55 55 TYR CD1 C 13 131.704 0.08 . . . . . . A 131 TYR CD1 . 30911 1 599 . 1 . 1 55 55 TYR CD2 C 13 131.686 0.06 . . . . . . A 131 TYR CD2 . 30911 1 600 . 1 . 1 55 55 TYR CE1 C 13 121.193 0.05 . . . . . . A 131 TYR CE1 . 30911 1 601 . 1 . 1 55 55 TYR CE2 C 13 121.210 0.07 . . . . . . A 131 TYR CE2 . 30911 1 602 . 1 . 1 55 55 TYR N N 15 120.361 0.00 . . . . . . A 131 TYR N . 30911 1 603 . 1 . 1 56 56 LYS H H 1 7.792 0.00 . . . . . . A 132 LYS H . 30911 1 604 . 1 . 1 56 56 LYS HA H 1 4.003 0.01 . . . . . . A 132 LYS HA . 30911 1 605 . 1 . 1 56 56 LYS HB2 H 1 1.780 0.00 . . . . . . A 132 LYS HB2 . 30911 1 606 . 1 . 1 56 56 LYS HB3 H 1 1.750 0.00 . . . . . . A 132 LYS HB3 . 30911 1 607 . 1 . 1 56 56 LYS HD2 H 1 1.610 0.00 . . . . . . A 132 LYS HD2 . 30911 1 608 . 1 . 1 56 56 LYS HD3 H 1 1.590 0.00 . . . . . . A 132 LYS HD3 . 30911 1 609 . 1 . 1 56 56 LYS HE2 H 1 3.082 0.00 . . . . . . A 132 LYS HE2 . 30911 1 610 . 1 . 1 56 56 LYS HE3 H 1 3.076 0.00 . . . . . . A 132 LYS HE3 . 30911 1 611 . 1 . 1 56 56 LYS CA C 13 60.567 0.05 . . . . . . A 132 LYS CA . 30911 1 612 . 1 . 1 56 56 LYS CB C 13 32.001 0.05 . . . . . . A 132 LYS CB . 30911 1 613 . 1 . 1 56 56 LYS CG C 13 25.920 0.00 . . . . . . A 132 LYS CG . 30911 1 614 . 1 . 1 56 56 LYS CD C 13 29.170 0.20 . . . . . . A 132 LYS CD . 30911 1 615 . 1 . 1 56 56 LYS CE C 13 42.208 0.01 . . . . . . A 132 LYS CE . 30911 1 616 . 1 . 1 56 56 LYS N N 15 110.312 0.00 . . . . . . A 132 LYS N . 30911 1 617 . 1 . 1 57 57 ARG H H 1 7.728 0.00 . . . . . . A 133 ARG H . 30911 1 618 . 1 . 1 57 57 ARG HA H 1 4.300 0.00 . . . . . . A 133 ARG HA . 30911 1 619 . 1 . 1 57 57 ARG HB2 H 1 1.790 0.00 . . . . . . A 133 ARG HB2 . 30911 1 620 . 1 . 1 57 57 ARG HB3 H 1 1.760 0.00 . . . . . . A 133 ARG HB3 . 30911 1 621 . 1 . 1 57 57 ARG HG2 H 1 1.560 0.00 . . . . . . A 133 ARG HG2 . 30911 1 622 . 1 . 1 57 57 ARG HG3 H 1 1.540 0.00 . . . . . . A 133 ARG HG3 . 30911 1 623 . 1 . 1 57 57 ARG HD2 H 1 3.110 0.00 . . . . . . A 133 ARG HD2 . 30911 1 624 . 1 . 1 57 57 ARG HD3 H 1 3.080 0.00 . . . . . . A 133 ARG HD3 . 30911 1 625 . 1 . 1 57 57 ARG CA C 13 59.556 0.07 . . . . . . A 133 ARG CA . 30911 1 626 . 1 . 1 57 57 ARG CB C 13 30.303 0.07 . . . . . . A 133 ARG CB . 30911 1 627 . 1 . 1 57 57 ARG CG C 13 27.260 0.00 . . . . . . A 133 ARG CG . 30911 1 628 . 1 . 1 57 57 ARG CD C 13 43.200 0.00 . . . . . . A 133 ARG CD . 30911 1 629 . 1 . 1 57 57 ARG N N 15 120.035 0.00 . . . . . . A 133 ARG N . 30911 1 630 . 1 . 1 58 58 CYS H H 1 7.968 0.00 . . . . . . A 134 CYS H . 30911 1 631 . 1 . 1 58 58 CYS HA H 1 4.038 0.02 . . . . . . A 134 CYS HA . 30911 1 632 . 1 . 1 58 58 CYS HB2 H 1 3.598 0.00 . . . . . . A 134 CYS HB2 . 30911 1 633 . 1 . 1 58 58 CYS HB3 H 1 3.155 0.00 . . . . . . A 134 CYS HB3 . 30911 1 634 . 1 . 1 58 58 CYS CA C 13 59.630 0.12 . . . . . . A 134 CYS CA . 30911 1 635 . 1 . 1 58 58 CYS CB C 13 41.673 0.01 . . . . . . A 134 CYS CB . 30911 1 636 . 1 . 1 58 58 CYS N N 15 118.787 0.00 . . . . . . A 134 CYS N . 30911 1 637 . 1 . 1 59 59 ALA H H 1 8.529 0.00 . . . . . . A 135 ALA H . 30911 1 638 . 1 . 1 59 59 ALA HA H 1 3.969 0.00 . . . . . . A 135 ALA HA . 30911 1 639 . 1 . 1 59 59 ALA HB1 H 1 1.550 0.01 . . . . . . A 135 ALA HB1 . 30911 1 640 . 1 . 1 59 59 ALA HB2 H 1 1.550 0.01 . . . . . . A 135 ALA HB2 . 30911 1 641 . 1 . 1 59 59 ALA HB3 H 1 1.550 0.01 . . . . . . A 135 ALA HB3 . 30911 1 642 . 1 . 1 59 59 ALA CA C 13 55.691 0.04 . . . . . . A 135 ALA CA . 30911 1 643 . 1 . 1 59 59 ALA CB C 13 18.810 0.09 . . . . . . A 135 ALA CB . 30911 1 644 . 1 . 1 59 59 ALA N N 15 119.229 0.00 . . . . . . A 135 ALA N . 30911 1 645 . 1 . 1 60 60 ARG H H 1 7.742 0.00 . . . . . . A 136 ARG H . 30911 1 646 . 1 . 1 60 60 ARG HA H 1 4.300 0.00 . . . . . . A 136 ARG HA . 30911 1 647 . 1 . 1 60 60 ARG HB2 H 1 2.024 0.00 . . . . . . A 136 ARG HB2 . 30911 1 648 . 1 . 1 60 60 ARG HB3 H 1 2.024 0.00 . . . . . . A 136 ARG HB3 . 30911 1 649 . 1 . 1 60 60 ARG HG2 H 1 1.879 0.00 . . . . . . A 136 ARG HG2 . 30911 1 650 . 1 . 1 60 60 ARG HG3 H 1 1.879 0.00 . . . . . . A 136 ARG HG3 . 30911 1 651 . 1 . 1 60 60 ARG HD2 H 1 3.300 0.00 . . . . . . A 136 ARG HD2 . 30911 1 652 . 1 . 1 60 60 ARG HD3 H 1 3.300 0.00 . . . . . . A 136 ARG HD3 . 30911 1 653 . 1 . 1 60 60 ARG CA C 13 59.616 0.07 . . . . . . A 136 ARG CA . 30911 1 654 . 1 . 1 60 60 ARG CB C 13 30.286 0.06 . . . . . . A 136 ARG CB . 30911 1 655 . 1 . 1 60 60 ARG CG C 13 27.615 0.00 . . . . . . A 136 ARG CG . 30911 1 656 . 1 . 1 60 60 ARG CD C 13 43.715 0.04 . . . . . . A 136 ARG CD . 30911 1 657 . 1 . 1 60 60 ARG N N 15 118.843 0.00 . . . . . . A 136 ARG N . 30911 1 658 . 1 . 1 61 61 LEU H H 1 8.038 0.00 . . . . . . A 137 LEU H . 30911 1 659 . 1 . 1 61 61 LEU HA H 1 4.310 0.00 . . . . . . A 137 LEU HA . 30911 1 660 . 1 . 1 61 61 LEU HB2 H 1 1.610 0.00 . . . . . . A 137 LEU HB2 . 30911 1 661 . 1 . 1 61 61 LEU HB3 H 1 1.520 0.00 . . . . . . A 137 LEU HB3 . 30911 1 662 . 1 . 1 61 61 LEU HG H 1 1.510 0.00 . . . . . . A 137 LEU HG . 30911 1 663 . 1 . 1 61 61 LEU HD11 H 1 0.916 0.01 . . . . . . A 137 LEU HD11 . 30911 1 664 . 1 . 1 61 61 LEU HD12 H 1 0.916 0.01 . . . . . . A 137 LEU HD12 . 30911 1 665 . 1 . 1 61 61 LEU HD13 H 1 0.916 0.01 . . . . . . A 137 LEU HD13 . 30911 1 666 . 1 . 1 61 61 LEU HD21 H 1 0.967 0.00 . . . . . . A 137 LEU HD21 . 30911 1 667 . 1 . 1 61 61 LEU HD22 H 1 0.967 0.00 . . . . . . A 137 LEU HD22 . 30911 1 668 . 1 . 1 61 61 LEU HD23 H 1 0.967 0.00 . . . . . . A 137 LEU HD23 . 30911 1 669 . 1 . 1 61 61 LEU CA C 13 58.019 0.19 . . . . . . A 137 LEU CA . 30911 1 670 . 1 . 1 61 61 LEU CB C 13 41.812 0.21 . . . . . . A 137 LEU CB . 30911 1 671 . 1 . 1 61 61 LEU CG C 13 26.860 0.00 . . . . . . A 137 LEU CG . 30911 1 672 . 1 . 1 61 61 LEU CD1 C 13 25.602 0.03 . . . . . . A 137 LEU CD1 . 30911 1 673 . 1 . 1 61 61 LEU CD2 C 13 25.219 0.01 . . . . . . A 137 LEU CD2 . 30911 1 674 . 1 . 1 61 61 LEU N N 15 120.801 0.00 . . . . . . A 137 LEU N . 30911 1 675 . 1 . 1 62 62 LEU H H 1 7.726 0.00 . . . . . . A 138 LEU H . 30911 1 676 . 1 . 1 62 62 LEU HA H 1 4.115 0.00 . . . . . . A 138 LEU HA . 30911 1 677 . 1 . 1 62 62 LEU HB2 H 1 2.065 0.00 . . . . . . A 138 LEU HB2 . 30911 1 678 . 1 . 1 62 62 LEU HB3 H 1 2.065 0.00 . . . . . . A 138 LEU HB3 . 30911 1 679 . 1 . 1 62 62 LEU HG H 1 1.020 0.01 . . . . . . A 138 LEU HG . 30911 1 680 . 1 . 1 62 62 LEU HD11 H 1 1.033 0.00 . . . . . . A 138 LEU HD11 . 30911 1 681 . 1 . 1 62 62 LEU HD12 H 1 1.033 0.00 . . . . . . A 138 LEU HD12 . 30911 1 682 . 1 . 1 62 62 LEU HD13 H 1 1.033 0.00 . . . . . . A 138 LEU HD13 . 30911 1 683 . 1 . 1 62 62 LEU HD21 H 1 0.950 0.03 . . . . . . A 138 LEU HD21 . 30911 1 684 . 1 . 1 62 62 LEU HD22 H 1 0.950 0.03 . . . . . . A 138 LEU HD22 . 30911 1 685 . 1 . 1 62 62 LEU HD23 H 1 0.950 0.03 . . . . . . A 138 LEU HD23 . 30911 1 686 . 1 . 1 62 62 LEU CA C 13 58.238 0.01 . . . . . . A 138 LEU CA . 30911 1 687 . 1 . 1 62 62 LEU CB C 13 42.160 0.04 . . . . . . A 138 LEU CB . 30911 1 688 . 1 . 1 62 62 LEU CG C 13 27.045 0.07 . . . . . . A 138 LEU CG . 30911 1 689 . 1 . 1 62 62 LEU CD1 C 13 27.241 0.08 . . . . . . A 138 LEU CD1 . 30911 1 690 . 1 . 1 62 62 LEU CD2 C 13 23.681 0.04 . . . . . . A 138 LEU CD2 . 30911 1 691 . 1 . 1 62 62 LEU N N 15 119.294 0.00 . . . . . . A 138 LEU N . 30911 1 692 . 1 . 1 63 63 THR H H 1 8.234 0.00 . . . . . . A 139 THR H . 30911 1 693 . 1 . 1 63 63 THR HA H 1 3.948 0.00 . . . . . . A 139 THR HA . 30911 1 694 . 1 . 1 63 63 THR HB H 1 4.369 0.00 . . . . . . A 139 THR HB . 30911 1 695 . 1 . 1 63 63 THR HG21 H 1 1.351 0.01 . . . . . . A 139 THR HG21 . 30911 1 696 . 1 . 1 63 63 THR HG22 H 1 1.351 0.01 . . . . . . A 139 THR HG22 . 30911 1 697 . 1 . 1 63 63 THR HG23 H 1 1.351 0.01 . . . . . . A 139 THR HG23 . 30911 1 698 . 1 . 1 63 63 THR CA C 13 67.074 0.09 . . . . . . A 139 THR CA . 30911 1 699 . 1 . 1 63 63 THR CB C 13 68.889 0.02 . . . . . . A 139 THR CB . 30911 1 700 . 1 . 1 63 63 THR CG2 C 13 21.695 0.01 . . . . . . A 139 THR CG2 . 30911 1 701 . 1 . 1 63 63 THR N N 15 114.697 0.00 . . . . . . A 139 THR N . 30911 1 702 . 1 . 1 64 64 ARG H H 1 7.858 0.00 . . . . . . A 140 ARG H . 30911 1 703 . 1 . 1 64 64 ARG HA H 1 4.152 0.01 . . . . . . A 140 ARG HA . 30911 1 704 . 1 . 1 64 64 ARG HB2 H 1 1.979 0.00 . . . . . . A 140 ARG HB2 . 30911 1 705 . 1 . 1 64 64 ARG HB3 H 1 1.979 0.00 . . . . . . A 140 ARG HB3 . 30911 1 706 . 1 . 1 64 64 ARG HG2 H 1 1.704 0.00 . . . . . . A 140 ARG HG2 . 30911 1 707 . 1 . 1 64 64 ARG HG3 H 1 1.704 0.00 . . . . . . A 140 ARG HG3 . 30911 1 708 . 1 . 1 64 64 ARG HD2 H 1 3.217 0.00 . . . . . . A 140 ARG HD2 . 30911 1 709 . 1 . 1 64 64 ARG HD3 H 1 3.217 0.00 . . . . . . A 140 ARG HD3 . 30911 1 710 . 1 . 1 64 64 ARG CA C 13 59.139 0.11 . . . . . . A 140 ARG CA . 30911 1 711 . 1 . 1 64 64 ARG CB C 13 30.291 0.07 . . . . . . A 140 ARG CB . 30911 1 712 . 1 . 1 64 64 ARG CG C 13 27.575 0.00 . . . . . . A 140 ARG CG . 30911 1 713 . 1 . 1 64 64 ARG CD C 13 43.623 0.00 . . . . . . A 140 ARG CD . 30911 1 714 . 1 . 1 64 64 ARG N N 15 119.539 0.00 . . . . . . A 140 ARG N . 30911 1 715 . 1 . 1 65 65 LEU H H 1 7.994 0.00 . . . . . . A 141 LEU H . 30911 1 716 . 1 . 1 65 65 LEU HA H 1 4.271 0.01 . . . . . . A 141 LEU HA . 30911 1 717 . 1 . 1 65 65 LEU HB2 H 1 1.610 0.00 . . . . . . A 141 LEU HB2 . 30911 1 718 . 1 . 1 65 65 LEU HB3 H 1 1.520 0.00 . . . . . . A 141 LEU HB3 . 30911 1 719 . 1 . 1 65 65 LEU HG H 1 1.456 0.00 . . . . . . A 141 LEU HG . 30911 1 720 . 1 . 1 65 65 LEU HD11 H 1 0.875 0.03 . . . . . . A 141 LEU HD11 . 30911 1 721 . 1 . 1 65 65 LEU HD12 H 1 0.875 0.03 . . . . . . A 141 LEU HD12 . 30911 1 722 . 1 . 1 65 65 LEU HD13 H 1 0.875 0.03 . . . . . . A 141 LEU HD13 . 30911 1 723 . 1 . 1 65 65 LEU HD21 H 1 0.964 0.03 . . . . . . A 141 LEU HD21 . 30911 1 724 . 1 . 1 65 65 LEU HD22 H 1 0.964 0.03 . . . . . . A 141 LEU HD22 . 30911 1 725 . 1 . 1 65 65 LEU HD23 H 1 0.964 0.03 . . . . . . A 141 LEU HD23 . 30911 1 726 . 1 . 1 65 65 LEU CA C 13 54.926 0.11 . . . . . . A 141 LEU CA . 30911 1 727 . 1 . 1 65 65 LEU CB C 13 43.464 0.03 . . . . . . A 141 LEU CB . 30911 1 728 . 1 . 1 65 65 LEU CG C 13 26.898 0.02 . . . . . . A 141 LEU CG . 30911 1 729 . 1 . 1 65 65 LEU CD1 C 13 23.873 0.03 . . . . . . A 141 LEU CD1 . 30911 1 730 . 1 . 1 65 65 LEU CD2 C 13 25.331 0.07 . . . . . . A 141 LEU CD2 . 30911 1 731 . 1 . 1 65 65 LEU N N 15 122.419 0.00 . . . . . . A 141 LEU N . 30911 1 732 . 1 . 1 66 66 ALA H H 1 8.225 0.00 . . . . . . A 142 ALA H . 30911 1 733 . 1 . 1 66 66 ALA HA H 1 4.173 0.00 . . . . . . A 142 ALA HA . 30911 1 734 . 1 . 1 66 66 ALA HB1 H 1 1.581 0.01 . . . . . . A 142 ALA HB1 . 30911 1 735 . 1 . 1 66 66 ALA HB2 H 1 1.581 0.01 . . . . . . A 142 ALA HB2 . 30911 1 736 . 1 . 1 66 66 ALA HB3 H 1 1.581 0.01 . . . . . . A 142 ALA HB3 . 30911 1 737 . 1 . 1 66 66 ALA CA C 13 55.393 0.02 . . . . . . A 142 ALA CA . 30911 1 738 . 1 . 1 66 66 ALA CB C 13 19.086 0.01 . . . . . . A 142 ALA CB . 30911 1 739 . 1 . 1 66 66 ALA N N 15 120.607 0.00 . . . . . . A 142 ALA N . 30911 1 740 . 1 . 1 67 67 VAL H H 1 7.283 0.00 . . . . . . A 143 VAL H . 30911 1 741 . 1 . 1 67 67 VAL HA H 1 4.678 0.00 . . . . . . A 143 VAL HA . 30911 1 742 . 1 . 1 67 67 VAL HB H 1 2.541 0.00 . . . . . . A 143 VAL HB . 30911 1 743 . 1 . 1 67 67 VAL HG11 H 1 1.045 0.00 . . . . . . A 143 VAL HG11 . 30911 1 744 . 1 . 1 67 67 VAL HG12 H 1 1.045 0.00 . . . . . . A 143 VAL HG12 . 30911 1 745 . 1 . 1 67 67 VAL HG13 H 1 1.045 0.00 . . . . . . A 143 VAL HG13 . 30911 1 746 . 1 . 1 67 67 VAL HG21 H 1 1.032 0.01 . . . . . . A 143 VAL HG21 . 30911 1 747 . 1 . 1 67 67 VAL HG22 H 1 1.032 0.01 . . . . . . A 143 VAL HG22 . 30911 1 748 . 1 . 1 67 67 VAL HG23 H 1 1.032 0.01 . . . . . . A 143 VAL HG23 . 30911 1 749 . 1 . 1 67 67 VAL CA C 13 60.307 0.37 . . . . . . A 143 VAL CA . 30911 1 750 . 1 . 1 67 67 VAL CB C 13 31.132 0.04 . . . . . . A 143 VAL CB . 30911 1 751 . 1 . 1 67 67 VAL CG1 C 13 18.624 0.01 . . . . . . A 143 VAL CG1 . 30911 1 752 . 1 . 1 67 67 VAL CG2 C 13 21.195 0.00 . . . . . . A 143 VAL CG2 . 30911 1 753 . 1 . 1 67 67 VAL N N 15 105.759 0.00 . . . . . . A 143 VAL N . 30911 1 754 . 1 . 1 68 68 SER H H 1 7.777 0.00 . . . . . . A 144 SER H . 30911 1 755 . 1 . 1 68 68 SER HA H 1 4.840 0.00 . . . . . . A 144 SER HA . 30911 1 756 . 1 . 1 68 68 SER HB2 H 1 4.314 0.00 . . . . . . A 144 SER HB2 . 30911 1 757 . 1 . 1 68 68 SER HB3 H 1 4.251 0.00 . . . . . . A 144 SER HB3 . 30911 1 758 . 1 . 1 68 68 SER CA C 13 57.477 0.02 . . . . . . A 144 SER CA . 30911 1 759 . 1 . 1 68 68 SER CB C 13 63.412 0.01 . . . . . . A 144 SER CB . 30911 1 760 . 1 . 1 68 68 SER N N 15 120.190 0.00 . . . . . . A 144 SER N . 30911 1 761 . 1 . 1 69 69 PRO HA H 1 4.420 0.00 . . . . . . A 145 PRO HA . 30911 1 762 . 1 . 1 69 69 PRO HB2 H 1 2.480 0.00 . . . . . . A 145 PRO HB2 . 30911 1 763 . 1 . 1 69 69 PRO HB3 H 1 2.485 0.00 . . . . . . A 145 PRO HB3 . 30911 1 764 . 1 . 1 69 69 PRO HG2 H 1 2.117 0.00 . . . . . . A 145 PRO HG2 . 30911 1 765 . 1 . 1 69 69 PRO HG3 H 1 2.117 0.00 . . . . . . A 145 PRO HG3 . 30911 1 766 . 1 . 1 69 69 PRO HD2 H 1 4.054 0.00 . . . . . . A 145 PRO HD2 . 30911 1 767 . 1 . 1 69 69 PRO HD3 H 1 4.047 0.01 . . . . . . A 145 PRO HD3 . 30911 1 768 . 1 . 1 69 69 PRO CA C 13 65.656 0.04 . . . . . . A 145 PRO CA . 30911 1 769 . 1 . 1 69 69 PRO CB C 13 32.074 0.01 . . . . . . A 145 PRO CB . 30911 1 770 . 1 . 1 69 69 PRO CG C 13 27.930 0.04 . . . . . . A 145 PRO CG . 30911 1 771 . 1 . 1 69 69 PRO CD C 13 51.007 0.05 . . . . . . A 145 PRO CD . 30911 1 772 . 1 . 1 70 70 VAL H H 1 7.445 0.00 . . . . . . A 146 VAL H . 30911 1 773 . 1 . 1 70 70 VAL HA H 1 3.983 0.00 . . . . . . A 146 VAL HA . 30911 1 774 . 1 . 1 70 70 VAL HB H 1 2.006 0.00 . . . . . . A 146 VAL HB . 30911 1 775 . 1 . 1 70 70 VAL HG11 H 1 0.853 0.00 . . . . . . A 146 VAL HG11 . 30911 1 776 . 1 . 1 70 70 VAL HG12 H 1 0.853 0.00 . . . . . . A 146 VAL HG12 . 30911 1 777 . 1 . 1 70 70 VAL HG13 H 1 0.853 0.00 . . . . . . A 146 VAL HG13 . 30911 1 778 . 1 . 1 70 70 VAL HG21 H 1 0.905 0.00 . . . . . . A 146 VAL HG21 . 30911 1 779 . 1 . 1 70 70 VAL HG22 H 1 0.905 0.00 . . . . . . A 146 VAL HG22 . 30911 1 780 . 1 . 1 70 70 VAL HG23 H 1 0.905 0.00 . . . . . . A 146 VAL HG23 . 30911 1 781 . 1 . 1 70 70 VAL CA C 13 64.230 0.05 . . . . . . A 146 VAL CA . 30911 1 782 . 1 . 1 70 70 VAL CB C 13 31.721 0.09 . . . . . . A 146 VAL CB . 30911 1 783 . 1 . 1 70 70 VAL CG1 C 13 21.004 0.01 . . . . . . A 146 VAL CG1 . 30911 1 784 . 1 . 1 70 70 VAL CG2 C 13 21.415 0.02 . . . . . . A 146 VAL CG2 . 30911 1 785 . 1 . 1 70 70 VAL N N 15 112.933 0.00 . . . . . . A 146 VAL N . 30911 1 786 . 1 . 1 71 71 CYS H H 1 7.999 0.00 . . . . . . A 147 CYS H . 30911 1 787 . 1 . 1 71 71 CYS HA H 1 4.372 0.00 . . . . . . A 147 CYS HA . 30911 1 788 . 1 . 1 71 71 CYS HB2 H 1 1.654 0.00 . . . . . . A 147 CYS HB2 . 30911 1 789 . 1 . 1 71 71 CYS HB3 H 1 1.542 0.00 . . . . . . A 147 CYS HB3 . 30911 1 790 . 1 . 1 71 71 CYS CA C 13 55.250 0.09 . . . . . . A 147 CYS CA . 30911 1 791 . 1 . 1 71 71 CYS CB C 13 41.868 0.18 . . . . . . A 147 CYS CB . 30911 1 792 . 1 . 1 71 71 CYS N N 15 122.416 0.00 . . . . . . A 147 CYS N . 30911 1 793 . 1 . 1 72 72 MET H H 1 7.859 0.00 . . . . . . A 148 MET H . 30911 1 794 . 1 . 1 72 72 MET HA H 1 4.649 0.00 . . . . . . A 148 MET HA . 30911 1 795 . 1 . 1 72 72 MET HB2 H 1 2.136 0.00 . . . . . . A 148 MET HB2 . 30911 1 796 . 1 . 1 72 72 MET HB3 H 1 2.036 0.00 . . . . . . A 148 MET HB3 . 30911 1 797 . 1 . 1 72 72 MET HG2 H 1 2.625 0.00 . . . . . . A 148 MET HG2 . 30911 1 798 . 1 . 1 72 72 MET HG3 H 1 2.625 0.00 . . . . . . A 148 MET HG3 . 30911 1 799 . 1 . 1 72 72 MET HE1 H 1 2.166 0.01 . . . . . . A 148 MET HE1 . 30911 1 800 . 1 . 1 72 72 MET HE2 H 1 2.166 0.01 . . . . . . A 148 MET HE2 . 30911 1 801 . 1 . 1 72 72 MET HE3 H 1 2.166 0.01 . . . . . . A 148 MET HE3 . 30911 1 802 . 1 . 1 72 72 MET CA C 13 55.811 0.04 . . . . . . A 148 MET CA . 30911 1 803 . 1 . 1 72 72 MET CB C 13 33.770 0.05 . . . . . . A 148 MET CB . 30911 1 804 . 1 . 1 72 72 MET CG C 13 32.156 0.03 . . . . . . A 148 MET CG . 30911 1 805 . 1 . 1 72 72 MET CE C 13 17.217 0.05 . . . . . . A 148 MET CE . 30911 1 806 . 1 . 1 72 72 MET N N 15 120.051 0.00 . . . . . . A 148 MET N . 30911 1 807 . 1 . 1 73 73 GLU H H 1 8.465 0.00 . . . . . . A 149 GLU H . 30911 1 808 . 1 . 1 73 73 GLU HA H 1 4.337 0.00 . . . . . . A 149 GLU HA . 30911 1 809 . 1 . 1 73 73 GLU HB2 H 1 2.096 0.00 . . . . . . A 149 GLU HB2 . 30911 1 810 . 1 . 1 73 73 GLU HB3 H 1 1.993 0.00 . . . . . . A 149 GLU HB3 . 30911 1 811 . 1 . 1 73 73 GLU HG2 H 1 2.297 0.00 . . . . . . A 149 GLU HG2 . 30911 1 812 . 1 . 1 73 73 GLU HG3 H 1 2.300 0.00 . . . . . . A 149 GLU HG3 . 30911 1 813 . 1 . 1 73 73 GLU CA C 13 56.779 0.02 . . . . . . A 149 GLU CA . 30911 1 814 . 1 . 1 73 73 GLU CB C 13 30.759 0.02 . . . . . . A 149 GLU CB . 30911 1 815 . 1 . 1 73 73 GLU CG C 13 36.486 0.00 . . . . . . A 149 GLU CG . 30911 1 816 . 1 . 1 73 73 GLU N N 15 122.336 0.00 . . . . . . A 149 GLU N . 30911 1 817 . 1 . 1 74 74 ASP H H 1 8.536 0.00 . . . . . . A 150 ASP H . 30911 1 818 . 1 . 1 74 74 ASP HA H 1 4.669 0.00 . . . . . . A 150 ASP HA . 30911 1 819 . 1 . 1 74 74 ASP HB2 H 1 2.765 0.00 . . . . . . A 150 ASP HB2 . 30911 1 820 . 1 . 1 74 74 ASP HB3 H 1 2.673 0.00 . . . . . . A 150 ASP HB3 . 30911 1 821 . 1 . 1 74 74 ASP CA C 13 54.383 0.01 . . . . . . A 150 ASP CA . 30911 1 822 . 1 . 1 74 74 ASP CB C 13 41.245 0.03 . . . . . . A 150 ASP CB . 30911 1 823 . 1 . 1 74 74 ASP N N 15 122.101 0.00 . . . . . . A 150 ASP N . 30911 1 824 . 1 . 1 75 75 LYS H H 1 8.241 0.00 . . . . . . A 151 LYS H . 30911 1 825 . 1 . 1 75 75 LYS HA H 1 4.374 0.00 . . . . . . A 151 LYS HA . 30911 1 826 . 1 . 1 75 75 LYS HB2 H 1 1.907 0.00 . . . . . . A 151 LYS HB2 . 30911 1 827 . 1 . 1 75 75 LYS HB3 H 1 1.785 0.00 . . . . . . A 151 LYS HB3 . 30911 1 828 . 1 . 1 75 75 LYS HG2 H 1 1.463 0.00 . . . . . . A 151 LYS HG2 . 30911 1 829 . 1 . 1 75 75 LYS HG3 H 1 1.463 0.00 . . . . . . A 151 LYS HG3 . 30911 1 830 . 1 . 1 75 75 LYS HD2 H 1 1.714 0.00 . . . . . . A 151 LYS HD2 . 30911 1 831 . 1 . 1 75 75 LYS HD3 H 1 1.714 0.00 . . . . . . A 151 LYS HD3 . 30911 1 832 . 1 . 1 75 75 LYS HE2 H 1 3.040 0.00 . . . . . . A 151 LYS HE2 . 30911 1 833 . 1 . 1 75 75 LYS HE3 H 1 3.040 0.00 . . . . . . A 151 LYS HE3 . 30911 1 834 . 1 . 1 75 75 LYS CA C 13 56.278 0.01 . . . . . . A 151 LYS CA . 30911 1 835 . 1 . 1 75 75 LYS CB C 13 33.162 0.03 . . . . . . A 151 LYS CB . 30911 1 836 . 1 . 1 75 75 LYS CG C 13 24.733 0.04 . . . . . . A 151 LYS CG . 30911 1 837 . 1 . 1 75 75 LYS CD C 13 29.140 0.00 . . . . . . A 151 LYS CD . 30911 1 838 . 1 . 1 75 75 LYS CE C 13 42.323 0.00 . . . . . . A 151 LYS CE . 30911 1 839 . 1 . 1 75 75 LYS N N 15 122.010 0.00 . . . . . . A 151 LYS N . 30911 1 840 . 1 . 1 76 76 GLN H H 1 8.068 0.00 . . . . . . A 152 GLN H . 30911 1 841 . 1 . 1 76 76 GLN HA H 1 4.185 0.00 . . . . . . A 152 GLN HA . 30911 1 842 . 1 . 1 76 76 GLN HB2 H 1 2.159 0.00 . . . . . . A 152 GLN HB2 . 30911 1 843 . 1 . 1 76 76 GLN HB3 H 1 1.965 0.00 . . . . . . A 152 GLN HB3 . 30911 1 844 . 1 . 1 76 76 GLN HG2 H 1 2.351 0.00 . . . . . . A 152 GLN HG2 . 30911 1 845 . 1 . 1 76 76 GLN HG3 H 1 2.351 0.00 . . . . . . A 152 GLN HG3 . 30911 1 846 . 1 . 1 76 76 GLN CA C 13 57.493 0.01 . . . . . . A 152 GLN CA . 30911 1 847 . 1 . 1 76 76 GLN CB C 13 30.443 0.00 . . . . . . A 152 GLN CB . 30911 1 848 . 1 . 1 76 76 GLN CG C 13 34.485 0.00 . . . . . . A 152 GLN CG . 30911 1 849 . 1 . 1 76 76 GLN N N 15 126.886 0.00 . . . . . . A 152 GLN N . 30911 1 stop_ save_