data_7395 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7395 _Entry.Title ; Solution Structure of RWD/GI domain of Saccharomyces cerevisiae GCN2 ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-08-30 _Entry.Last_release_date 2015-06-16 _Entry.Original_release_date 2015-06-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Ogura K. . . 7395 2 S. Torikai S. . . 7395 3 H. Kumeta H. . . 7395 4 F. Inagaki F. . . 7395 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Amino acid starvation signal response' . 7395 a-b-b-b-b-a-a . 7395 'eIF2alpha kinase' . 7395 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7395 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 7395 '15N chemical shifts' 130 7395 '1H chemical shifts' 919 7395 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-16 . original BMRB . 7395 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7395 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of RWD/GI domain of Saccharomyces cerevisiae GCN2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Ogura K. . . 7395 1 2 S. Torikai S. . . 7395 1 3 H. Kumeta H. . . 7395 1 4 F. Inagaki F. . . 7395 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7395 _Assembly.ID 1 _Assembly.Name 'RWD/GI domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'RWD/GI domain' 1 $Serine-threonine-protein_kinase_GCN2 A . yes native no no . . . 7395 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Serine-threonine-protein_kinase_GCN2 _Entity.Sf_category entity _Entity.Sf_framecode Serine-threonine-protein_kinase_GCN2 _Entity.Entry_ID 7395 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Serine-threonine-protein_kinase_GCN2 _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 ; MSLSHLTLDQYYEIQCNELE AIRSIYMDDFTDLTKRKSSW DKQPQIIFEITLRSVDKEPV ESSITLHFAMTPMYPYTAPE IEFKNVQNVMDSQLQMLKSE FKKIHNTSRGQEIIFEITSF TQEKLDEFQNVVNTQSLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not known' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RWD/GI domain(residues 1-138)' _Entity.Mutation . _Entity.EC_number 2.7.11.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 7395 1 ATP-binding SWS-KEYWORD 7395 1 'Amino-acid biosynthesis' SWS-KEYWORD 7395 1 'Aminoacyl-tRNA synthetase' SWS-KEYWORD 7395 1 'Complete proteome' SWS-KEYWORD 7395 1 'EC 2.7.11.1' SWS-SYNONYM 7395 1 Kinase SWS-KEYWORD 7395 1 Ligase SWS-KEYWORD 7395 1 Nucleotide-binding SWS-KEYWORD 7395 1 Phosphorylation SWS-KEYWORD 7395 1 'Protein biosynthesis' SWS-KEYWORD 7395 1 Repeat SWS-KEYWORD 7395 1 'Serine/threonine-protein kinase' SWS-KEYWORD 7395 1 'Serine/threonine-protein kinase GCN2' RCSB_NAME 7395 1 'Stress response' SWS-KEYWORD 7395 1 Transferase SWS-KEYWORD 7395 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 . MET . 7395 1 2 . SER . 7395 1 3 . LEU . 7395 1 4 . SER . 7395 1 5 . HIS . 7395 1 6 . LEU . 7395 1 7 . THR . 7395 1 8 . LEU . 7395 1 9 . ASP . 7395 1 10 . GLN . 7395 1 11 . TYR . 7395 1 12 . TYR . 7395 1 13 . GLU . 7395 1 14 . ILE . 7395 1 15 . GLN . 7395 1 16 . CYS . 7395 1 17 . ASN . 7395 1 18 . GLU . 7395 1 19 . LEU . 7395 1 20 . GLU . 7395 1 21 . ALA . 7395 1 22 . ILE . 7395 1 23 . ARG . 7395 1 24 . SER . 7395 1 25 . ILE . 7395 1 26 . TYR . 7395 1 27 . MET . 7395 1 28 . ASP . 7395 1 29 . ASP . 7395 1 30 . PHE . 7395 1 31 . THR . 7395 1 32 . ASP . 7395 1 33 . LEU . 7395 1 34 . THR . 7395 1 35 . LYS . 7395 1 36 . ARG . 7395 1 37 . LYS . 7395 1 38 . SER . 7395 1 39 . SER . 7395 1 40 . TRP . 7395 1 41 . ASP . 7395 1 42 . LYS . 7395 1 43 . GLN . 7395 1 44 . PRO . 7395 1 45 . GLN . 7395 1 46 . ILE . 7395 1 47 . ILE . 7395 1 48 . PHE . 7395 1 49 . GLU . 7395 1 50 . ILE . 7395 1 51 . THR . 7395 1 52 . LEU . 7395 1 53 . ARG . 7395 1 54 . SER . 7395 1 55 . VAL . 7395 1 56 . ASP . 7395 1 57 . LYS . 7395 1 58 . GLU . 7395 1 59 . PRO . 7395 1 60 . VAL . 7395 1 61 . GLU . 7395 1 62 . SER . 7395 1 63 . SER . 7395 1 64 . ILE . 7395 1 65 . THR . 7395 1 66 . LEU . 7395 1 67 . HIS . 7395 1 68 . PHE . 7395 1 69 . ALA . 7395 1 70 . MET . 7395 1 71 . THR . 7395 1 72 . PRO . 7395 1 73 . MET . 7395 1 74 . TYR . 7395 1 75 . PRO . 7395 1 76 . TYR . 7395 1 77 . THR . 7395 1 78 . ALA . 7395 1 79 . PRO . 7395 1 80 . GLU . 7395 1 81 . ILE . 7395 1 82 . GLU . 7395 1 83 . PHE . 7395 1 84 . LYS . 7395 1 85 . ASN . 7395 1 86 . VAL . 7395 1 87 . GLN . 7395 1 88 . ASN . 7395 1 89 . VAL . 7395 1 90 . MET . 7395 1 91 . ASP . 7395 1 92 . SER . 7395 1 93 . GLN . 7395 1 94 . LEU . 7395 1 95 . GLN . 7395 1 96 . MET . 7395 1 97 . LEU . 7395 1 98 . LYS . 7395 1 99 . SER . 7395 1 100 . GLU . 7395 1 101 . PHE . 7395 1 102 . LYS . 7395 1 103 . LYS . 7395 1 104 . ILE . 7395 1 105 . HIS . 7395 1 106 . ASN . 7395 1 107 . THR . 7395 1 108 . SER . 7395 1 109 . ARG . 7395 1 110 . GLY . 7395 1 111 . GLN . 7395 1 112 . GLU . 7395 1 113 . ILE . 7395 1 114 . ILE . 7395 1 115 . PHE . 7395 1 116 . GLU . 7395 1 117 . ILE . 7395 1 118 . THR . 7395 1 119 . SER . 7395 1 120 . PHE . 7395 1 121 . THR . 7395 1 122 . GLN . 7395 1 123 . GLU . 7395 1 124 . LYS . 7395 1 125 . LEU . 7395 1 126 . ASP . 7395 1 127 . GLU . 7395 1 128 . PHE . 7395 1 129 . GLN . 7395 1 130 . ASN . 7395 1 131 . VAL . 7395 1 132 . VAL . 7395 1 133 . ASN . 7395 1 134 . THR . 7395 1 135 . GLN . 7395 1 136 . SER . 7395 1 137 . LEU . 7395 1 138 . GLU . 7395 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 . MET 1 1 7395 1 . SER 2 2 7395 1 . LEU 3 3 7395 1 . SER 4 4 7395 1 . HIS 5 5 7395 1 . LEU 6 6 7395 1 . THR 7 7 7395 1 . LEU 8 8 7395 1 . ASP 9 9 7395 1 . GLN 10 10 7395 1 . TYR 11 11 7395 1 . TYR 12 12 7395 1 . GLU 13 13 7395 1 . ILE 14 14 7395 1 . GLN 15 15 7395 1 . CYS 16 16 7395 1 . ASN 17 17 7395 1 . GLU 18 18 7395 1 . LEU 19 19 7395 1 . GLU 20 20 7395 1 . ALA 21 21 7395 1 . ILE 22 22 7395 1 . ARG 23 23 7395 1 . SER 24 24 7395 1 . ILE 25 25 7395 1 . TYR 26 26 7395 1 . MET 27 27 7395 1 . ASP 28 28 7395 1 . ASP 29 29 7395 1 . PHE 30 30 7395 1 . THR 31 31 7395 1 . ASP 32 32 7395 1 . LEU 33 33 7395 1 . THR 34 34 7395 1 . LYS 35 35 7395 1 . ARG 36 36 7395 1 . LYS 37 37 7395 1 . SER 38 38 7395 1 . SER 39 39 7395 1 . TRP 40 40 7395 1 . ASP 41 41 7395 1 . LYS 42 42 7395 1 . GLN 43 43 7395 1 . PRO 44 44 7395 1 . GLN 45 45 7395 1 . ILE 46 46 7395 1 . ILE 47 47 7395 1 . PHE 48 48 7395 1 . GLU 49 49 7395 1 . ILE 50 50 7395 1 . THR 51 51 7395 1 . LEU 52 52 7395 1 . ARG 53 53 7395 1 . SER 54 54 7395 1 . VAL 55 55 7395 1 . ASP 56 56 7395 1 . LYS 57 57 7395 1 . GLU 58 58 7395 1 . PRO 59 59 7395 1 . VAL 60 60 7395 1 . GLU 61 61 7395 1 . SER 62 62 7395 1 . SER 63 63 7395 1 . ILE 64 64 7395 1 . THR 65 65 7395 1 . LEU 66 66 7395 1 . HIS 67 67 7395 1 . PHE 68 68 7395 1 . ALA 69 69 7395 1 . MET 70 70 7395 1 . THR 71 71 7395 1 . PRO 72 72 7395 1 . MET 73 73 7395 1 . TYR 74 74 7395 1 . PRO 75 75 7395 1 . TYR 76 76 7395 1 . THR 77 77 7395 1 . ALA 78 78 7395 1 . PRO 79 79 7395 1 . GLU 80 80 7395 1 . ILE 81 81 7395 1 . GLU 82 82 7395 1 . PHE 83 83 7395 1 . LYS 84 84 7395 1 . ASN 85 85 7395 1 . VAL 86 86 7395 1 . GLN 87 87 7395 1 . ASN 88 88 7395 1 . VAL 89 89 7395 1 . MET 90 90 7395 1 . ASP 91 91 7395 1 . SER 92 92 7395 1 . GLN 93 93 7395 1 . LEU 94 94 7395 1 . GLN 95 95 7395 1 . MET 96 96 7395 1 . LEU 97 97 7395 1 . LYS 98 98 7395 1 . SER 99 99 7395 1 . GLU 100 100 7395 1 . PHE 101 101 7395 1 . LYS 102 102 7395 1 . LYS 103 103 7395 1 . ILE 104 104 7395 1 . HIS 105 105 7395 1 . ASN 106 106 7395 1 . THR 107 107 7395 1 . SER 108 108 7395 1 . ARG 109 109 7395 1 . GLY 110 110 7395 1 . GLN 111 111 7395 1 . GLU 112 112 7395 1 . ILE 113 113 7395 1 . ILE 114 114 7395 1 . PHE 115 115 7395 1 . GLU 116 116 7395 1 . ILE 117 117 7395 1 . THR 118 118 7395 1 . SER 119 119 7395 1 . PHE 120 120 7395 1 . THR 121 121 7395 1 . GLN 122 122 7395 1 . GLU 123 123 7395 1 . LYS 124 124 7395 1 . LEU 125 125 7395 1 . ASP 126 126 7395 1 . GLU 127 127 7395 1 . PHE 128 128 7395 1 . GLN 129 129 7395 1 . ASN 130 130 7395 1 . VAL 131 131 7395 1 . VAL 132 132 7395 1 . ASN 133 133 7395 1 . THR 134 134 7395 1 . GLN 135 135 7395 1 . SER 136 136 7395 1 . LEU 137 137 7395 1 . GLU 138 138 7395 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 7395 _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 $Serine-threonine-protein_kinase_GCN2 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 7395 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 7395 _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 $Serine-threonine-protein_kinase_GCN2 . 'recombinant technology' . bacteria . . . . BL21 . . . RI . . . . . 7395 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 7395 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM RWD/GI domain U-15N, 13C; 20mM phosphate buffer; 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 'RWD/GI domain' '[U-15N; U-13C]' . . 1 $Serine-threonine-protein_kinase_GCN2 . . 1 . . mM . . . . 7395 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 7395 1 3 H2O . . . . . . . 90 . . % . . . . 7395 1 4 D2O . . . . . . . 10 . . % . . . . 7395 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7395 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 7395 1 pressure 1 . . 7395 1 temperature 298 . K 7395 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7395 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7395 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7395 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7395 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 7395 _Software.ID 3 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7395 3 'structure solution' 7395 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7395 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7395 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 7395 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Varian INOVA . 800 . . . 7395 1 2 spectrometer_2 Varian INOVA . 600 . . . 7395 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 7395 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7395 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7395 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7395 _Assigned_chem_shift_list.ID 1 _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 . _Assigned_chem_shift_list.Chem_shift_reference_label . _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_13C-separated_NOESY . . . 7395 1 2 3D_15N-separated_NOESY . . . 7395 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 THR H H 1 8.294 0.006 . . . . . . 7 THR HN . 7395 1 2 . 1 1 7 7 THR HA H 1 4.530 0.002 . . . . . . 7 THR HA . 7395 1 3 . 1 1 7 7 THR HB H 1 4.710 0.006 . . . . . . 7 THR HB . 7395 1 4 . 1 1 7 7 THR HG21 H 1 1.276 0.006 . . . . . . 7 THR QG2 . 7395 1 5 . 1 1 7 7 THR HG22 H 1 1.276 0.006 . . . . . . 7 THR QG2 . 7395 1 6 . 1 1 7 7 THR HG23 H 1 1.276 0.006 . . . . . . 7 THR QG2 . 7395 1 7 . 1 1 7 7 THR CA C 13 60.596 0.027 . . . . . . 7 THR CA . 7395 1 8 . 1 1 7 7 THR CB C 13 70.867 0.000 . . . . . . 7 THR CB . 7395 1 9 . 1 1 7 7 THR CG2 C 13 21.793 0.059 . . . . . . 7 THR CG2 . 7395 1 10 . 1 1 7 7 THR N N 15 109.667 0.023 . . . . . . 7 THR N . 7395 1 11 . 1 1 8 8 LEU H H 1 8.869 0.006 . . . . . . 8 LEU HN . 7395 1 12 . 1 1 8 8 LEU HA H 1 4.419 0.010 . . . . . . 8 LEU HA . 7395 1 13 . 1 1 8 8 LEU HB2 H 1 1.685 0.006 . . . . . . 8 LEU HB2 . 7395 1 14 . 1 1 8 8 LEU HB3 H 1 1.952 0.004 . . . . . . 8 LEU HB3 . 7395 1 15 . 1 1 8 8 LEU HD11 H 1 0.980 0.005 . . . . . . 8 LEU QD1 . 7395 1 16 . 1 1 8 8 LEU HD12 H 1 0.980 0.005 . . . . . . 8 LEU QD1 . 7395 1 17 . 1 1 8 8 LEU HD13 H 1 0.980 0.005 . . . . . . 8 LEU QD1 . 7395 1 18 . 1 1 8 8 LEU HD21 H 1 1.030 0.004 . . . . . . 8 LEU QD2 . 7395 1 19 . 1 1 8 8 LEU HD22 H 1 1.030 0.004 . . . . . . 8 LEU QD2 . 7395 1 20 . 1 1 8 8 LEU HD23 H 1 1.030 0.004 . . . . . . 8 LEU QD2 . 7395 1 21 . 1 1 8 8 LEU HG H 1 1.948 0.005 . . . . . . 8 LEU HG . 7395 1 22 . 1 1 8 8 LEU CA C 13 58.838 0.092 . . . . . . 8 LEU CA . 7395 1 23 . 1 1 8 8 LEU CB C 13 41.146 0.068 . . . . . . 8 LEU CB . 7395 1 24 . 1 1 8 8 LEU CD1 C 13 23.549 0.012 . . . . . . 8 LEU CD1 . 7395 1 25 . 1 1 8 8 LEU CD2 C 13 25.486 0.031 . . . . . . 8 LEU CD2 . 7395 1 26 . 1 1 8 8 LEU CG C 13 27.506 0.109 . . . . . . 8 LEU CG . 7395 1 27 . 1 1 8 8 LEU N N 15 119.723 0.015 . . . . . . 8 LEU N . 7395 1 28 . 1 1 9 9 ASP H H 1 8.356 0.004 . . . . . . 9 ASP HN . 7395 1 29 . 1 1 9 9 ASP HA H 1 4.434 0.007 . . . . . . 9 ASP HA . 7395 1 30 . 1 1 9 9 ASP HB2 H 1 2.560 0.008 . . . . . . 9 ASP HB2 . 7395 1 31 . 1 1 9 9 ASP HB3 H 1 2.715 0.010 . . . . . . 9 ASP HB3 . 7395 1 32 . 1 1 9 9 ASP CA C 13 57.285 0.069 . . . . . . 9 ASP CA . 7395 1 33 . 1 1 9 9 ASP CB C 13 40.155 0.080 . . . . . . 9 ASP CB . 7395 1 34 . 1 1 9 9 ASP N N 15 117.973 0.015 . . . . . . 9 ASP N . 7395 1 35 . 1 1 10 10 GLN H H 1 7.698 0.006 . . . . . . 10 GLN HN . 7395 1 36 . 1 1 10 10 GLN HA H 1 4.131 0.010 . . . . . . 10 GLN HA . 7395 1 37 . 1 1 10 10 GLN HB2 H 1 1.135 0.005 . . . . . . 10 GLN HB2 . 7395 1 38 . 1 1 10 10 GLN HB3 H 1 1.764 0.007 . . . . . . 10 GLN HB3 . 7395 1 39 . 1 1 10 10 GLN HE21 H 1 6.645 0.009 . . . . . . 10 GLN HE21 . 7395 1 40 . 1 1 10 10 GLN HE22 H 1 7.535 0.000 . . . . . . 10 GLN HE22 . 7395 1 41 . 1 1 10 10 GLN HG2 H 1 2.330 0.006 . . . . . . 10 GLN QG . 7395 1 42 . 1 1 10 10 GLN HG3 H 1 2.330 0.006 . . . . . . 10 GLN QG . 7395 1 43 . 1 1 10 10 GLN CA C 13 58.863 0.086 . . . . . . 10 GLN CA . 7395 1 44 . 1 1 10 10 GLN CB C 13 29.316 0.048 . . . . . . 10 GLN CB . 7395 1 45 . 1 1 10 10 GLN CG C 13 35.218 0.000 . . . . . . 10 GLN CG . 7395 1 46 . 1 1 10 10 GLN N N 15 120.883 0.009 . . . . . . 10 GLN N . 7395 1 47 . 1 1 11 11 TYR H H 1 8.349 0.008 . . . . . . 11 TYR HN . 7395 1 48 . 1 1 11 11 TYR HA H 1 4.488 0.007 . . . . . . 11 TYR HA . 7395 1 49 . 1 1 11 11 TYR HB2 H 1 3.023 0.007 . . . . . . 11 TYR HB2 . 7395 1 50 . 1 1 11 11 TYR HB3 H 1 3.756 0.011 . . . . . . 11 TYR HB3 . 7395 1 51 . 1 1 11 11 TYR HD1 H 1 7.099 0.007 . . . . . . 11 TYR QD . 7395 1 52 . 1 1 11 11 TYR HD2 H 1 7.099 0.007 . . . . . . 11 TYR QD . 7395 1 53 . 1 1 11 11 TYR HE1 H 1 6.673 0.008 . . . . . . 11 TYR QE . 7395 1 54 . 1 1 11 11 TYR HE2 H 1 6.673 0.008 . . . . . . 11 TYR QE . 7395 1 55 . 1 1 11 11 TYR CA C 13 62.829 0.062 . . . . . . 11 TYR CA . 7395 1 56 . 1 1 11 11 TYR CB C 13 37.992 0.045 . . . . . . 11 TYR CB . 7395 1 57 . 1 1 11 11 TYR CD1 C 13 133.043 0.045 . . . . . . 11 TYR CD1 . 7395 1 58 . 1 1 11 11 TYR CE1 C 13 118.165 0.000 . . . . . . 11 TYR CE1 . 7395 1 59 . 1 1 11 11 TYR N N 15 119.787 0.046 . . . . . . 11 TYR N . 7395 1 60 . 1 1 12 12 TYR H H 1 8.468 0.006 . . . . . . 12 TYR HN . 7395 1 61 . 1 1 12 12 TYR HA H 1 4.084 0.007 . . . . . . 12 TYR HA . 7395 1 62 . 1 1 12 12 TYR HB2 H 1 3.014 0.009 . . . . . . 12 TYR HB2 . 7395 1 63 . 1 1 12 12 TYR HB3 H 1 3.339 0.008 . . . . . . 12 TYR HB3 . 7395 1 64 . 1 1 12 12 TYR HD1 H 1 7.128 0.011 . . . . . . 12 TYR QD . 7395 1 65 . 1 1 12 12 TYR HD2 H 1 7.128 0.011 . . . . . . 12 TYR QD . 7395 1 66 . 1 1 12 12 TYR HE1 H 1 6.794 0.007 . . . . . . 12 TYR QE . 7395 1 67 . 1 1 12 12 TYR HE2 H 1 6.794 0.007 . . . . . . 12 TYR QE . 7395 1 68 . 1 1 12 12 TYR CA C 13 62.910 0.108 . . . . . . 12 TYR CA . 7395 1 69 . 1 1 12 12 TYR CB C 13 38.067 0.056 . . . . . . 12 TYR CB . 7395 1 70 . 1 1 12 12 TYR CD1 C 13 133.310 0.066 . . . . . . 12 TYR CD1 . 7395 1 71 . 1 1 12 12 TYR CE1 C 13 118.332 0.109 . . . . . . 12 TYR CE1 . 7395 1 72 . 1 1 12 12 TYR N N 15 120.282 0.037 . . . . . . 12 TYR N . 7395 1 73 . 1 1 13 13 GLU H H 1 7.832 0.005 . . . . . . 13 GLU HN . 7395 1 74 . 1 1 13 13 GLU HA H 1 4.034 0.007 . . . . . . 13 GLU HA . 7395 1 75 . 1 1 13 13 GLU HB2 H 1 2.202 0.006 . . . . . . 13 GLU QB . 7395 1 76 . 1 1 13 13 GLU HB3 H 1 2.202 0.006 . . . . . . 13 GLU QB . 7395 1 77 . 1 1 13 13 GLU HG2 H 1 2.297 0.004 . . . . . . 13 GLU HG2 . 7395 1 78 . 1 1 13 13 GLU HG3 H 1 2.425 0.007 . . . . . . 13 GLU HG3 . 7395 1 79 . 1 1 13 13 GLU CA C 13 59.862 0.138 . . . . . . 13 GLU CA . 7395 1 80 . 1 1 13 13 GLU CB C 13 29.575 0.167 . . . . . . 13 GLU CB . 7395 1 81 . 1 1 13 13 GLU CG C 13 36.071 0.073 . . . . . . 13 GLU CG . 7395 1 82 . 1 1 13 13 GLU N N 15 118.580 0.021 . . . . . . 13 GLU N . 7395 1 83 . 1 1 14 14 ILE H H 1 7.601 0.011 . . . . . . 14 ILE HN . 7395 1 84 . 1 1 14 14 ILE HA H 1 3.770 0.006 . . . . . . 14 ILE HA . 7395 1 85 . 1 1 14 14 ILE HB H 1 2.406 0.007 . . . . . . 14 ILE HB . 7395 1 86 . 1 1 14 14 ILE HD11 H 1 0.881 0.006 . . . . . . 14 ILE QD1 . 7395 1 87 . 1 1 14 14 ILE HD12 H 1 0.881 0.006 . . . . . . 14 ILE QD1 . 7395 1 88 . 1 1 14 14 ILE HD13 H 1 0.881 0.006 . . . . . . 14 ILE QD1 . 7395 1 89 . 1 1 14 14 ILE HG12 H 1 1.132 0.007 . . . . . . 14 ILE HG12 . 7395 1 90 . 1 1 14 14 ILE HG13 H 1 1.902 0.010 . . . . . . 14 ILE HG13 . 7395 1 91 . 1 1 14 14 ILE HG21 H 1 1.035 0.002 . . . . . . 14 ILE QG2 . 7395 1 92 . 1 1 14 14 ILE HG22 H 1 1.035 0.002 . . . . . . 14 ILE QG2 . 7395 1 93 . 1 1 14 14 ILE HG23 H 1 1.035 0.002 . . . . . . 14 ILE QG2 . 7395 1 94 . 1 1 14 14 ILE CA C 13 65.677 0.051 . . . . . . 14 ILE CA . 7395 1 95 . 1 1 14 14 ILE CB C 13 38.215 0.140 . . . . . . 14 ILE CB . 7395 1 96 . 1 1 14 14 ILE CD1 C 13 14.129 0.015 . . . . . . 14 ILE CD1 . 7395 1 97 . 1 1 14 14 ILE CG1 C 13 29.336 0.056 . . . . . . 14 ILE CG1 . 7395 1 98 . 1 1 14 14 ILE CG2 C 13 16.867 0.018 . . . . . . 14 ILE CG2 . 7395 1 99 . 1 1 14 14 ILE N N 15 120.097 0.067 . . . . . . 14 ILE N . 7395 1 100 . 1 1 15 15 GLN H H 1 8.365 0.006 . . . . . . 15 GLN HN . 7395 1 101 . 1 1 15 15 GLN HA H 1 3.906 0.009 . . . . . . 15 GLN HA . 7395 1 102 . 1 1 15 15 GLN HB2 H 1 2.374 0.007 . . . . . . 15 GLN QB . 7395 1 103 . 1 1 15 15 GLN HB3 H 1 2.374 0.007 . . . . . . 15 GLN QB . 7395 1 104 . 1 1 15 15 GLN HE21 H 1 6.226 0.004 . . . . . . 15 GLN HE21 . 7395 1 105 . 1 1 15 15 GLN HE22 H 1 7.880 0.006 . . . . . . 15 GLN HE22 . 7395 1 106 . 1 1 15 15 GLN CA C 13 59.829 0.111 . . . . . . 15 GLN CA . 7395 1 107 . 1 1 15 15 GLN N N 15 120.128 0.017 . . . . . . 15 GLN N . 7395 1 108 . 1 1 16 16 CYS H H 1 8.413 0.008 . . . . . . 16 CYS HN . 7395 1 109 . 1 1 16 16 CYS HA H 1 3.831 0.009 . . . . . . 16 CYS HA . 7395 1 110 . 1 1 16 16 CYS HB2 H 1 2.633 0.007 . . . . . . 16 CYS HB2 . 7395 1 111 . 1 1 16 16 CYS HB3 H 1 2.978 0.007 . . . . . . 16 CYS HB3 . 7395 1 112 . 1 1 16 16 CYS CA C 13 63.877 0.097 . . . . . . 16 CYS CA . 7395 1 113 . 1 1 16 16 CYS CB C 13 27.236 0.115 . . . . . . 16 CYS CB . 7395 1 114 . 1 1 16 16 CYS N N 15 116.179 0.020 . . . . . . 16 CYS N . 7395 1 115 . 1 1 17 17 ASN H H 1 8.201 0.007 . . . . . . 17 ASN HN . 7395 1 116 . 1 1 17 17 ASN HA H 1 4.415 0.005 . . . . . . 17 ASN HA . 7395 1 117 . 1 1 17 17 ASN HB2 H 1 2.765 0.005 . . . . . . 17 ASN HB2 . 7395 1 118 . 1 1 17 17 ASN HB3 H 1 2.906 0.003 . . . . . . 17 ASN HB3 . 7395 1 119 . 1 1 17 17 ASN HD21 H 1 6.988 0.004 . . . . . . 17 ASN HD21 . 7395 1 120 . 1 1 17 17 ASN HD22 H 1 7.786 0.010 . . . . . . 17 ASN HD22 . 7395 1 121 . 1 1 17 17 ASN CA C 13 55.907 0.124 . . . . . . 17 ASN CA . 7395 1 122 . 1 1 17 17 ASN CB C 13 37.861 0.116 . . . . . . 17 ASN CB . 7395 1 123 . 1 1 17 17 ASN N N 15 118.988 0.086 . . . . . . 17 ASN N . 7395 1 124 . 1 1 17 17 ASN ND2 N 15 112.699 0.021 . . . . . . 17 ASN ND2 . 7395 1 125 . 1 1 18 18 GLU H H 1 8.489 0.007 . . . . . . 18 GLU HN . 7395 1 126 . 1 1 18 18 GLU HA H 1 4.033 0.006 . . . . . . 18 GLU HA . 7395 1 127 . 1 1 18 18 GLU HB2 H 1 2.073 0.008 . . . . . . 18 GLU QB . 7395 1 128 . 1 1 18 18 GLU HB3 H 1 2.073 0.008 . . . . . . 18 GLU QB . 7395 1 129 . 1 1 18 18 GLU HG2 H 1 2.718 0.007 . . . . . . 18 GLU HG2 . 7395 1 130 . 1 1 18 18 GLU HG3 H 1 2.870 0.000 . . . . . . 18 GLU HG3 . 7395 1 131 . 1 1 18 18 GLU CA C 13 59.751 0.140 . . . . . . 18 GLU CA . 7395 1 132 . 1 1 18 18 GLU N N 15 124.574 0.006 . . . . . . 18 GLU N . 7395 1 133 . 1 1 19 19 LEU H H 1 8.209 0.006 . . . . . . 19 LEU HN . 7395 1 134 . 1 1 19 19 LEU HA H 1 3.314 0.006 . . . . . . 19 LEU HA . 7395 1 135 . 1 1 19 19 LEU HB2 H 1 1.371 0.011 . . . . . . 19 LEU HB2 . 7395 1 136 . 1 1 19 19 LEU HB3 H 1 1.874 0.008 . . . . . . 19 LEU HB3 . 7395 1 137 . 1 1 19 19 LEU HD11 H 1 0.393 0.006 . . . . . . 19 LEU QD1 . 7395 1 138 . 1 1 19 19 LEU HD12 H 1 0.393 0.006 . . . . . . 19 LEU QD1 . 7395 1 139 . 1 1 19 19 LEU HD13 H 1 0.393 0.006 . . . . . . 19 LEU QD1 . 7395 1 140 . 1 1 19 19 LEU HD21 H 1 0.778 0.006 . . . . . . 19 LEU QD2 . 7395 1 141 . 1 1 19 19 LEU HD22 H 1 0.778 0.006 . . . . . . 19 LEU QD2 . 7395 1 142 . 1 1 19 19 LEU HD23 H 1 0.778 0.006 . . . . . . 19 LEU QD2 . 7395 1 143 . 1 1 19 19 LEU HG H 1 1.352 0.008 . . . . . . 19 LEU HG . 7395 1 144 . 1 1 19 19 LEU CA C 13 58.161 0.033 . . . . . . 19 LEU CA . 7395 1 145 . 1 1 19 19 LEU CB C 13 41.937 0.057 . . . . . . 19 LEU CB . 7395 1 146 . 1 1 19 19 LEU CD1 C 13 24.886 0.024 . . . . . . 19 LEU CD1 . 7395 1 147 . 1 1 19 19 LEU CD2 C 13 25.102 0.043 . . . . . . 19 LEU CD2 . 7395 1 148 . 1 1 19 19 LEU CG C 13 26.475 0.157 . . . . . . 19 LEU CG . 7395 1 149 . 1 1 19 19 LEU N N 15 119.620 0.032 . . . . . . 19 LEU N . 7395 1 150 . 1 1 20 20 GLU H H 1 7.221 0.007 . . . . . . 20 GLU HN . 7395 1 151 . 1 1 20 20 GLU HA H 1 3.798 0.007 . . . . . . 20 GLU HA . 7395 1 152 . 1 1 20 20 GLU HB2 H 1 1.999 0.005 . . . . . . 20 GLU QB . 7395 1 153 . 1 1 20 20 GLU HB3 H 1 1.999 0.005 . . . . . . 20 GLU QB . 7395 1 154 . 1 1 20 20 GLU HG2 H 1 2.324 0.006 . . . . . . 20 GLU QG . 7395 1 155 . 1 1 20 20 GLU HG3 H 1 2.324 0.006 . . . . . . 20 GLU QG . 7395 1 156 . 1 1 20 20 GLU CA C 13 58.537 0.060 . . . . . . 20 GLU CA . 7395 1 157 . 1 1 20 20 GLU CB C 13 28.935 0.031 . . . . . . 20 GLU CB . 7395 1 158 . 1 1 20 20 GLU CG C 13 35.489 0.065 . . . . . . 20 GLU CG . 7395 1 159 . 1 1 20 20 GLU N N 15 114.976 0.077 . . . . . . 20 GLU N . 7395 1 160 . 1 1 21 21 ALA H H 1 7.403 0.008 . . . . . . 21 ALA HN . 7395 1 161 . 1 1 21 21 ALA HA H 1 4.015 0.008 . . . . . . 21 ALA HA . 7395 1 162 . 1 1 21 21 ALA HB1 H 1 1.459 0.005 . . . . . . 21 ALA QB . 7395 1 163 . 1 1 21 21 ALA HB2 H 1 1.459 0.005 . . . . . . 21 ALA QB . 7395 1 164 . 1 1 21 21 ALA HB3 H 1 1.459 0.005 . . . . . . 21 ALA QB . 7395 1 165 . 1 1 21 21 ALA CA C 13 54.972 0.054 . . . . . . 21 ALA CA . 7395 1 166 . 1 1 21 21 ALA CB C 13 18.010 0.032 . . . . . . 21 ALA CB . 7395 1 167 . 1 1 21 21 ALA N N 15 122.772 0.018 . . . . . . 21 ALA N . 7395 1 168 . 1 1 22 22 ILE H H 1 8.360 0.007 . . . . . . 22 ILE HN . 7395 1 169 . 1 1 22 22 ILE HA H 1 3.769 0.005 . . . . . . 22 ILE HA . 7395 1 170 . 1 1 22 22 ILE HB H 1 1.887 0.008 . . . . . . 22 ILE HB . 7395 1 171 . 1 1 22 22 ILE HD11 H 1 0.776 0.005 . . . . . . 22 ILE QD1 . 7395 1 172 . 1 1 22 22 ILE HD12 H 1 0.776 0.005 . . . . . . 22 ILE QD1 . 7395 1 173 . 1 1 22 22 ILE HD13 H 1 0.776 0.005 . . . . . . 22 ILE QD1 . 7395 1 174 . 1 1 22 22 ILE HG12 H 1 1.071 0.005 . . . . . . 22 ILE HG12 . 7395 1 175 . 1 1 22 22 ILE HG13 H 1 1.717 0.009 . . . . . . 22 ILE HG13 . 7395 1 176 . 1 1 22 22 ILE HG21 H 1 0.844 0.006 . . . . . . 22 ILE QG2 . 7395 1 177 . 1 1 22 22 ILE HG22 H 1 0.844 0.006 . . . . . . 22 ILE QG2 . 7395 1 178 . 1 1 22 22 ILE HG23 H 1 0.844 0.006 . . . . . . 22 ILE QG2 . 7395 1 179 . 1 1 22 22 ILE CA C 13 61.686 0.095 . . . . . . 22 ILE CA . 7395 1 180 . 1 1 22 22 ILE CB C 13 36.017 0.067 . . . . . . 22 ILE CB . 7395 1 181 . 1 1 22 22 ILE CD1 C 13 9.971 0.008 . . . . . . 22 ILE CD1 . 7395 1 182 . 1 1 22 22 ILE CG1 C 13 27.397 0.071 . . . . . . 22 ILE CG1 . 7395 1 183 . 1 1 22 22 ILE CG2 C 13 19.252 0.036 . . . . . . 22 ILE CG2 . 7395 1 184 . 1 1 22 22 ILE N N 15 119.327 0.029 . . . . . . 22 ILE N . 7395 1 185 . 1 1 23 23 ARG H H 1 8.189 0.011 . . . . . . 23 ARG HN . 7395 1 186 . 1 1 23 23 ARG HA H 1 2.657 0.005 . . . . . . 23 ARG HA . 7395 1 187 . 1 1 23 23 ARG HB2 H 1 0.903 0.009 . . . . . . 23 ARG HB2 . 7395 1 188 . 1 1 23 23 ARG HB3 H 1 1.265 0.010 . . . . . . 23 ARG HB3 . 7395 1 189 . 1 1 23 23 ARG HD2 H 1 3.078 0.009 . . . . . . 23 ARG QD . 7395 1 190 . 1 1 23 23 ARG HD3 H 1 3.078 0.009 . . . . . . 23 ARG QD . 7395 1 191 . 1 1 23 23 ARG HG2 H 1 1.235 0.008 . . . . . . 23 ARG HG2 . 7395 1 192 . 1 1 23 23 ARG HG3 H 1 1.333 0.005 . . . . . . 23 ARG HG3 . 7395 1 193 . 1 1 23 23 ARG CA C 13 59.327 0.062 . . . . . . 23 ARG CA . 7395 1 194 . 1 1 23 23 ARG CB C 13 29.696 0.051 . . . . . . 23 ARG CB . 7395 1 195 . 1 1 23 23 ARG CD C 13 43.553 0.024 . . . . . . 23 ARG CD . 7395 1 196 . 1 1 23 23 ARG CG C 13 25.923 0.126 . . . . . . 23 ARG CG . 7395 1 197 . 1 1 23 23 ARG N N 15 122.438 0.055 . . . . . . 23 ARG N . 7395 1 198 . 1 1 24 24 SER H H 1 7.203 0.013 . . . . . . 24 SER HN . 7395 1 199 . 1 1 24 24 SER HA H 1 4.116 0.007 . . . . . . 24 SER HA . 7395 1 200 . 1 1 24 24 SER HB2 H 1 3.840 0.009 . . . . . . 24 SER HB2 . 7395 1 201 . 1 1 24 24 SER HB3 H 1 3.895 0.004 . . . . . . 24 SER HB3 . 7395 1 202 . 1 1 24 24 SER CA C 13 61.071 0.058 . . . . . . 24 SER CA . 7395 1 203 . 1 1 24 24 SER CB C 13 63.227 0.051 . . . . . . 24 SER CB . 7395 1 204 . 1 1 24 24 SER N N 15 112.079 0.025 . . . . . . 24 SER N . 7395 1 205 . 1 1 25 25 ILE H H 1 7.221 0.007 . . . . . . 25 ILE HN . 7395 1 206 . 1 1 25 25 ILE HA H 1 3.669 0.007 . . . . . . 25 ILE HA . 7395 1 207 . 1 1 25 25 ILE HB H 1 1.471 0.005 . . . . . . 25 ILE HB . 7395 1 208 . 1 1 25 25 ILE HD11 H 1 0.428 0.003 . . . . . . 25 ILE QD1 . 7395 1 209 . 1 1 25 25 ILE HD12 H 1 0.428 0.003 . . . . . . 25 ILE QD1 . 7395 1 210 . 1 1 25 25 ILE HD13 H 1 0.428 0.003 . . . . . . 25 ILE QD1 . 7395 1 211 . 1 1 25 25 ILE HG12 H 1 0.787 0.007 . . . . . . 25 ILE HG12 . 7395 1 212 . 1 1 25 25 ILE HG13 H 1 1.508 0.005 . . . . . . 25 ILE HG13 . 7395 1 213 . 1 1 25 25 ILE HG21 H 1 0.073 0.005 . . . . . . 25 ILE QG2 . 7395 1 214 . 1 1 25 25 ILE HG22 H 1 0.073 0.005 . . . . . . 25 ILE QG2 . 7395 1 215 . 1 1 25 25 ILE HG23 H 1 0.073 0.005 . . . . . . 25 ILE QG2 . 7395 1 216 . 1 1 25 25 ILE CA C 13 63.700 0.058 . . . . . . 25 ILE CA . 7395 1 217 . 1 1 25 25 ILE CB C 13 39.237 0.052 . . . . . . 25 ILE CB . 7395 1 218 . 1 1 25 25 ILE CD1 C 13 13.048 0.027 . . . . . . 25 ILE CD1 . 7395 1 219 . 1 1 25 25 ILE CG1 C 13 28.109 0.029 . . . . . . 25 ILE CG1 . 7395 1 220 . 1 1 25 25 ILE CG2 C 13 16.407 0.061 . . . . . . 25 ILE CG2 . 7395 1 221 . 1 1 25 25 ILE N N 15 119.750 0.000 . . . . . . 25 ILE N . 7395 1 222 . 1 1 26 26 TYR H H 1 7.805 0.011 . . . . . . 26 TYR HN . 7395 1 223 . 1 1 26 26 TYR HA H 1 4.478 0.006 . . . . . . 26 TYR HA . 7395 1 224 . 1 1 26 26 TYR HB2 H 1 3.146 0.009 . . . . . . 26 TYR QB . 7395 1 225 . 1 1 26 26 TYR HB3 H 1 3.146 0.009 . . . . . . 26 TYR QB . 7395 1 226 . 1 1 26 26 TYR HD1 H 1 7.373 0.006 . . . . . . 26 TYR QD . 7395 1 227 . 1 1 26 26 TYR HD2 H 1 7.373 0.006 . . . . . . 26 TYR QD . 7395 1 228 . 1 1 26 26 TYR HE1 H 1 6.859 0.009 . . . . . . 26 TYR QE . 7395 1 229 . 1 1 26 26 TYR HE2 H 1 6.859 0.009 . . . . . . 26 TYR QE . 7395 1 230 . 1 1 26 26 TYR CA C 13 61.419 0.098 . . . . . . 26 TYR CA . 7395 1 231 . 1 1 26 26 TYR CB C 13 39.914 0.124 . . . . . . 26 TYR CB . 7395 1 232 . 1 1 26 26 TYR CD1 C 13 133.037 0.043 . . . . . . 26 TYR CD1 . 7395 1 233 . 1 1 26 26 TYR CE1 C 13 118.164 0.005 . . . . . . 26 TYR CE1 . 7395 1 234 . 1 1 26 26 TYR N N 15 114.466 0.056 . . . . . . 26 TYR N . 7395 1 235 . 1 1 27 27 MET H H 1 8.232 0.006 . . . . . . 27 MET HN . 7395 1 236 . 1 1 27 27 MET HA H 1 4.105 0.008 . . . . . . 27 MET HA . 7395 1 237 . 1 1 27 27 MET HB2 H 1 2.116 0.005 . . . . . . 27 MET HB2 . 7395 1 238 . 1 1 27 27 MET HB3 H 1 2.294 0.004 . . . . . . 27 MET HB3 . 7395 1 239 . 1 1 27 27 MET HE1 H 1 2.100 0.004 . . . . . . 27 MET QE . 7395 1 240 . 1 1 27 27 MET HE2 H 1 2.100 0.004 . . . . . . 27 MET QE . 7395 1 241 . 1 1 27 27 MET HE3 H 1 2.100 0.004 . . . . . . 27 MET QE . 7395 1 242 . 1 1 27 27 MET HG2 H 1 2.506 0.007 . . . . . . 27 MET QG . 7395 1 243 . 1 1 27 27 MET HG3 H 1 2.506 0.007 . . . . . . 27 MET QG . 7395 1 244 . 1 1 27 27 MET CA C 13 57.855 0.036 . . . . . . 27 MET CA . 7395 1 245 . 1 1 27 27 MET CB C 13 31.133 0.094 . . . . . . 27 MET CB . 7395 1 246 . 1 1 27 27 MET CE C 13 16.702 0.006 . . . . . . 27 MET CE . 7395 1 247 . 1 1 27 27 MET CG C 13 32.155 0.079 . . . . . . 27 MET CG . 7395 1 248 . 1 1 27 27 MET N N 15 118.599 0.034 . . . . . . 27 MET N . 7395 1 249 . 1 1 28 28 ASP H H 1 8.559 0.003 . . . . . . 28 ASP HN . 7395 1 250 . 1 1 28 28 ASP HA H 1 4.672 0.005 . . . . . . 28 ASP HA . 7395 1 251 . 1 1 28 28 ASP HB2 H 1 2.729 0.003 . . . . . . 28 ASP HB2 . 7395 1 252 . 1 1 28 28 ASP HB3 H 1 2.880 0.003 . . . . . . 28 ASP HB3 . 7395 1 253 . 1 1 28 28 ASP CA C 13 56.915 0.029 . . . . . . 28 ASP CA . 7395 1 254 . 1 1 28 28 ASP CB C 13 40.344 0.126 . . . . . . 28 ASP CB . 7395 1 255 . 1 1 28 28 ASP N N 15 121.211 0.021 . . . . . . 28 ASP N . 7395 1 256 . 1 1 29 29 ASP H H 1 8.444 0.010 . . . . . . 29 ASP HN . 7395 1 257 . 1 1 29 29 ASP HA H 1 4.979 0.007 . . . . . . 29 ASP HA . 7395 1 258 . 1 1 29 29 ASP HB2 H 1 2.869 0.009 . . . . . . 29 ASP HB2 . 7395 1 259 . 1 1 29 29 ASP HB3 H 1 3.773 0.008 . . . . . . 29 ASP HB3 . 7395 1 260 . 1 1 29 29 ASP CA C 13 55.397 0.090 . . . . . . 29 ASP CA . 7395 1 261 . 1 1 29 29 ASP CB C 13 41.737 0.121 . . . . . . 29 ASP CB . 7395 1 262 . 1 1 29 29 ASP N N 15 117.887 0.014 . . . . . . 29 ASP N . 7395 1 263 . 1 1 30 30 PHE H H 1 8.067 0.010 . . . . . . 30 PHE HN . 7395 1 264 . 1 1 30 30 PHE HA H 1 5.497 0.007 . . . . . . 30 PHE HA . 7395 1 265 . 1 1 30 30 PHE HB2 H 1 2.802 0.011 . . . . . . 30 PHE HB2 . 7395 1 266 . 1 1 30 30 PHE HB3 H 1 3.469 0.008 . . . . . . 30 PHE HB3 . 7395 1 267 . 1 1 30 30 PHE HD1 H 1 7.110 0.010 . . . . . . 30 PHE QD . 7395 1 268 . 1 1 30 30 PHE HD2 H 1 7.110 0.010 . . . . . . 30 PHE QD . 7395 1 269 . 1 1 30 30 PHE HE1 H 1 6.897 0.002 . . . . . . 30 PHE QE . 7395 1 270 . 1 1 30 30 PHE HE2 H 1 6.897 0.002 . . . . . . 30 PHE QE . 7395 1 271 . 1 1 30 30 PHE CA C 13 56.226 0.034 . . . . . . 30 PHE CA . 7395 1 272 . 1 1 30 30 PHE CB C 13 41.927 0.089 . . . . . . 30 PHE CB . 7395 1 273 . 1 1 30 30 PHE N N 15 123.670 0.023 . . . . . . 30 PHE N . 7395 1 274 . 1 1 31 31 THR H H 1 8.472 0.010 . . . . . . 31 THR HN . 7395 1 275 . 1 1 31 31 THR HA H 1 4.217 0.005 . . . . . . 31 THR HA . 7395 1 276 . 1 1 31 31 THR HB H 1 3.660 0.007 . . . . . . 31 THR HB . 7395 1 277 . 1 1 31 31 THR HG21 H 1 1.012 0.007 . . . . . . 31 THR QG2 . 7395 1 278 . 1 1 31 31 THR HG22 H 1 1.012 0.007 . . . . . . 31 THR QG2 . 7395 1 279 . 1 1 31 31 THR HG23 H 1 1.012 0.007 . . . . . . 31 THR QG2 . 7395 1 280 . 1 1 31 31 THR CA C 13 61.377 0.113 . . . . . . 31 THR CA . 7395 1 281 . 1 1 31 31 THR CB C 13 72.029 0.052 . . . . . . 31 THR CB . 7395 1 282 . 1 1 31 31 THR CG2 C 13 21.369 0.084 . . . . . . 31 THR CG2 . 7395 1 283 . 1 1 31 31 THR N N 15 123.205 0.010 . . . . . . 31 THR N . 7395 1 284 . 1 1 32 32 ASP H H 1 8.801 0.006 . . . . . . 32 ASP HN . 7395 1 285 . 1 1 32 32 ASP HA H 1 4.568 0.006 . . . . . . 32 ASP HA . 7395 1 286 . 1 1 32 32 ASP HB2 H 1 2.751 0.006 . . . . . . 32 ASP HB2 . 7395 1 287 . 1 1 32 32 ASP HB3 H 1 2.948 0.006 . . . . . . 32 ASP HB3 . 7395 1 288 . 1 1 32 32 ASP CA C 13 53.882 0.082 . . . . . . 32 ASP CA . 7395 1 289 . 1 1 32 32 ASP CB C 13 41.132 0.099 . . . . . . 32 ASP CB . 7395 1 290 . 1 1 32 32 ASP N N 15 126.596 0.023 . . . . . . 32 ASP N . 7395 1 291 . 1 1 33 33 LEU H H 1 9.180 0.008 . . . . . . 33 LEU HN . 7395 1 292 . 1 1 33 33 LEU HA H 1 4.489 0.006 . . . . . . 33 LEU HA . 7395 1 293 . 1 1 33 33 LEU HB2 H 1 1.098 0.009 . . . . . . 33 LEU QB . 7395 1 294 . 1 1 33 33 LEU HB3 H 1 1.098 0.009 . . . . . . 33 LEU QB . 7395 1 295 . 1 1 33 33 LEU HD11 H 1 0.763 0.009 . . . . . . 33 LEU QD1 . 7395 1 296 . 1 1 33 33 LEU HD12 H 1 0.763 0.009 . . . . . . 33 LEU QD1 . 7395 1 297 . 1 1 33 33 LEU HD13 H 1 0.763 0.009 . . . . . . 33 LEU QD1 . 7395 1 298 . 1 1 33 33 LEU HD21 H 1 0.709 0.003 . . . . . . 33 LEU QD2 . 7395 1 299 . 1 1 33 33 LEU HD22 H 1 0.709 0.003 . . . . . . 33 LEU QD2 . 7395 1 300 . 1 1 33 33 LEU HD23 H 1 0.709 0.003 . . . . . . 33 LEU QD2 . 7395 1 301 . 1 1 33 33 LEU HG H 1 1.344 0.004 . . . . . . 33 LEU HG . 7395 1 302 . 1 1 33 33 LEU CA C 13 54.124 0.028 . . . . . . 33 LEU CA . 7395 1 303 . 1 1 33 33 LEU CB C 13 41.876 0.093 . . . . . . 33 LEU CB . 7395 1 304 . 1 1 33 33 LEU CD1 C 13 23.229 0.032 . . . . . . 33 LEU CD1 . 7395 1 305 . 1 1 33 33 LEU CD2 C 13 25.962 0.045 . . . . . . 33 LEU CD2 . 7395 1 306 . 1 1 33 33 LEU CG C 13 27.370 0.099 . . . . . . 33 LEU CG . 7395 1 307 . 1 1 33 33 LEU N N 15 129.301 0.052 . . . . . . 33 LEU N . 7395 1 308 . 1 1 34 34 THR H H 1 8.525 0.005 . . . . . . 34 THR HN . 7395 1 309 . 1 1 34 34 THR HA H 1 3.895 0.006 . . . . . . 34 THR HA . 7395 1 310 . 1 1 34 34 THR HB H 1 4.043 0.007 . . . . . . 34 THR HB . 7395 1 311 . 1 1 34 34 THR HG21 H 1 1.351 0.005 . . . . . . 34 THR QG2 . 7395 1 312 . 1 1 34 34 THR HG22 H 1 1.351 0.005 . . . . . . 34 THR QG2 . 7395 1 313 . 1 1 34 34 THR HG23 H 1 1.351 0.005 . . . . . . 34 THR QG2 . 7395 1 314 . 1 1 34 34 THR CA C 13 65.408 0.071 . . . . . . 34 THR CA . 7395 1 315 . 1 1 34 34 THR CB C 13 69.339 0.039 . . . . . . 34 THR CB . 7395 1 316 . 1 1 34 34 THR CG2 C 13 20.500 0.045 . . . . . . 34 THR CG2 . 7395 1 317 . 1 1 34 34 THR N N 15 123.682 0.029 . . . . . . 34 THR N . 7395 1 318 . 1 1 35 35 LYS H H 1 9.018 0.007 . . . . . . 35 LYS HN . 7395 1 319 . 1 1 35 35 LYS HA H 1 4.233 0.008 . . . . . . 35 LYS HA . 7395 1 320 . 1 1 35 35 LYS HB2 H 1 1.699 0.004 . . . . . . 35 LYS HB2 . 7395 1 321 . 1 1 35 35 LYS HB3 H 1 1.853 0.005 . . . . . . 35 LYS HB3 . 7395 1 322 . 1 1 35 35 LYS HD2 H 1 1.729 0.009 . . . . . . 35 LYS QD . 7395 1 323 . 1 1 35 35 LYS HD3 H 1 1.729 0.009 . . . . . . 35 LYS QD . 7395 1 324 . 1 1 35 35 LYS HE2 H 1 3.044 0.007 . . . . . . 35 LYS QE . 7395 1 325 . 1 1 35 35 LYS HE3 H 1 3.044 0.007 . . . . . . 35 LYS QE . 7395 1 326 . 1 1 35 35 LYS HG2 H 1 1.522 0.006 . . . . . . 35 LYS HG2 . 7395 1 327 . 1 1 35 35 LYS HG3 H 1 1.597 0.003 . . . . . . 35 LYS HG3 . 7395 1 328 . 1 1 35 35 LYS CA C 13 56.290 0.041 . . . . . . 35 LYS CA . 7395 1 329 . 1 1 35 35 LYS CB C 13 33.130 0.054 . . . . . . 35 LYS CB . 7395 1 330 . 1 1 35 35 LYS CD C 13 29.093 0.095 . . . . . . 35 LYS CD . 7395 1 331 . 1 1 35 35 LYS CE C 13 42.221 0.099 . . . . . . 35 LYS CE . 7395 1 332 . 1 1 35 35 LYS CG C 13 24.970 0.051 . . . . . . 35 LYS CG . 7395 1 333 . 1 1 35 35 LYS N N 15 129.153 0.017 . . . . . . 35 LYS N . 7395 1 334 . 1 1 36 36 ARG H H 1 8.191 0.009 . . . . . . 36 ARG HN . 7395 1 335 . 1 1 36 36 ARG HA H 1 4.203 0.007 . . . . . . 36 ARG HA . 7395 1 336 . 1 1 36 36 ARG HB2 H 1 1.711 0.010 . . . . . . 36 ARG HB2 . 7395 1 337 . 1 1 36 36 ARG HB3 H 1 1.826 0.002 . . . . . . 36 ARG HB3 . 7395 1 338 . 1 1 36 36 ARG HD2 H 1 3.198 0.005 . . . . . . 36 ARG QD . 7395 1 339 . 1 1 36 36 ARG HD3 H 1 3.198 0.005 . . . . . . 36 ARG QD . 7395 1 340 . 1 1 36 36 ARG HG2 H 1 1.703 0.004 . . . . . . 36 ARG HG2 . 7395 1 341 . 1 1 36 36 ARG HG3 H 1 1.823 0.005 . . . . . . 36 ARG HG3 . 7395 1 342 . 1 1 36 36 ARG CA C 13 56.215 0.081 . . . . . . 36 ARG CA . 7395 1 343 . 1 1 36 36 ARG CB C 13 30.559 0.059 . . . . . . 36 ARG CB . 7395 1 344 . 1 1 36 36 ARG CD C 13 43.335 0.075 . . . . . . 36 ARG CD . 7395 1 345 . 1 1 36 36 ARG CG C 13 27.461 0.022 . . . . . . 36 ARG CG . 7395 1 346 . 1 1 36 36 ARG N N 15 119.979 0.008 . . . . . . 36 ARG N . 7395 1 347 . 1 1 37 37 LYS H H 1 8.710 0.004 . . . . . . 37 LYS HN . 7395 1 348 . 1 1 37 37 LYS HA H 1 4.145 0.007 . . . . . . 37 LYS HA . 7395 1 349 . 1 1 37 37 LYS HB2 H 1 1.762 0.005 . . . . . . 37 LYS QB . 7395 1 350 . 1 1 37 37 LYS HB3 H 1 1.762 0.005 . . . . . . 37 LYS QB . 7395 1 351 . 1 1 37 37 LYS HE2 H 1 3.084 0.005 . . . . . . 37 LYS QE . 7395 1 352 . 1 1 37 37 LYS HE3 H 1 3.084 0.005 . . . . . . 37 LYS QE . 7395 1 353 . 1 1 37 37 LYS HG2 H 1 1.356 0.005 . . . . . . 37 LYS HG2 . 7395 1 354 . 1 1 37 37 LYS HG3 H 1 1.561 0.008 . . . . . . 37 LYS HG3 . 7395 1 355 . 1 1 37 37 LYS CA C 13 57.440 0.032 . . . . . . 37 LYS CA . 7395 1 356 . 1 1 37 37 LYS CB C 13 33.223 0.007 . . . . . . 37 LYS CB . 7395 1 357 . 1 1 37 37 LYS CE C 13 41.913 0.082 . . . . . . 37 LYS CE . 7395 1 358 . 1 1 37 37 LYS CG C 13 25.066 0.056 . . . . . . 37 LYS CG . 7395 1 359 . 1 1 37 37 LYS N N 15 123.050 0.000 . . . . . . 37 LYS N . 7395 1 360 . 1 1 38 38 SER H H 1 7.956 0.006 . . . . . . 38 SER HN . 7395 1 361 . 1 1 38 38 SER HA H 1 4.546 0.010 . . . . . . 38 SER HA . 7395 1 362 . 1 1 38 38 SER HB2 H 1 3.514 0.004 . . . . . . 38 SER HB2 . 7395 1 363 . 1 1 38 38 SER HB3 H 1 3.593 0.007 . . . . . . 38 SER HB3 . 7395 1 364 . 1 1 38 38 SER CA C 13 56.897 0.032 . . . . . . 38 SER CA . 7395 1 365 . 1 1 38 38 SER CB C 13 66.007 0.014 . . . . . . 38 SER CB . 7395 1 366 . 1 1 38 38 SER N N 15 115.812 0.018 . . . . . . 38 SER N . 7395 1 367 . 1 1 39 39 SER HA H 1 4.029 0.004 . . . . . . 39 SER HA . 7395 1 368 . 1 1 39 39 SER HB2 H 1 3.630 0.003 . . . . . . 39 SER HB2 . 7395 1 369 . 1 1 39 39 SER HB3 H 1 3.664 0.003 . . . . . . 39 SER HB3 . 7395 1 370 . 1 1 39 39 SER CA C 13 60.630 0.066 . . . . . . 39 SER CA . 7395 1 371 . 1 1 39 39 SER CB C 13 62.627 0.031 . . . . . . 39 SER CB . 7395 1 372 . 1 1 40 40 TRP H H 1 7.360 0.004 . . . . . . 40 TRP HN . 7395 1 373 . 1 1 40 40 TRP HA H 1 4.671 0.004 . . . . . . 40 TRP HA . 7395 1 374 . 1 1 40 40 TRP HB2 H 1 3.201 0.003 . . . . . . 40 TRP HB2 . 7395 1 375 . 1 1 40 40 TRP HB3 H 1 3.282 0.003 . . . . . . 40 TRP HB3 . 7395 1 376 . 1 1 40 40 TRP HD1 H 1 7.205 0.003 . . . . . . 40 TRP HD1 . 7395 1 377 . 1 1 40 40 TRP HE1 H 1 10.166 0.002 . . . . . . 40 TRP HE1 . 7395 1 378 . 1 1 40 40 TRP HE3 H 1 7.615 0.005 . . . . . . 40 TRP HE3 . 7395 1 379 . 1 1 40 40 TRP HH2 H 1 7.228 0.005 . . . . . . 40 TRP HH2 . 7395 1 380 . 1 1 40 40 TRP HZ2 H 1 7.495 0.002 . . . . . . 40 TRP HZ2 . 7395 1 381 . 1 1 40 40 TRP CA C 13 57.051 0.094 . . . . . . 40 TRP CA . 7395 1 382 . 1 1 40 40 TRP CB C 13 29.260 0.036 . . . . . . 40 TRP CB . 7395 1 383 . 1 1 40 40 TRP CD1 C 13 127.048 0.030 . . . . . . 40 TRP CD1 . 7395 1 384 . 1 1 40 40 TRP CE3 C 13 120.787 0.000 . . . . . . 40 TRP CE3 . 7395 1 385 . 1 1 40 40 TRP CH2 C 13 124.724 0.006 . . . . . . 40 TRP CH2 . 7395 1 386 . 1 1 40 40 TRP CZ2 C 13 114.686 0.028 . . . . . . 40 TRP CZ2 . 7395 1 387 . 1 1 40 40 TRP N N 15 117.720 0.000 . . . . . . 40 TRP N . 7395 1 388 . 1 1 41 41 ASP H H 1 7.203 0.005 . . . . . . 41 ASP HN . 7395 1 389 . 1 1 41 41 ASP HA H 1 4.568 0.007 . . . . . . 41 ASP HA . 7395 1 390 . 1 1 41 41 ASP HB2 H 1 2.187 0.006 . . . . . . 41 ASP HB2 . 7395 1 391 . 1 1 41 41 ASP HB3 H 1 2.615 0.006 . . . . . . 41 ASP HB3 . 7395 1 392 . 1 1 41 41 ASP CA C 13 53.451 0.069 . . . . . . 41 ASP CA . 7395 1 393 . 1 1 41 41 ASP CB C 13 40.249 0.098 . . . . . . 41 ASP CB . 7395 1 394 . 1 1 41 41 ASP N N 15 121.932 0.007 . . . . . . 41 ASP N . 7395 1 395 . 1 1 42 42 LYS H H 1 8.274 0.008 . . . . . . 42 LYS HN . 7395 1 396 . 1 1 42 42 LYS HA H 1 4.147 0.007 . . . . . . 42 LYS HA . 7395 1 397 . 1 1 42 42 LYS HB2 H 1 1.694 0.007 . . . . . . 42 LYS HB2 . 7395 1 398 . 1 1 42 42 LYS HB3 H 1 1.853 0.005 . . . . . . 42 LYS HB3 . 7395 1 399 . 1 1 42 42 LYS HD2 H 1 1.617 0.008 . . . . . . 42 LYS HD2 . 7395 1 400 . 1 1 42 42 LYS HD3 H 1 1.643 0.006 . . . . . . 42 LYS HD3 . 7395 1 401 . 1 1 42 42 LYS HE2 H 1 2.959 0.005 . . . . . . 42 LYS QE . 7395 1 402 . 1 1 42 42 LYS HE3 H 1 2.959 0.005 . . . . . . 42 LYS QE . 7395 1 403 . 1 1 42 42 LYS HG2 H 1 1.399 0.009 . . . . . . 42 LYS HG2 . 7395 1 404 . 1 1 42 42 LYS HG3 H 1 1.428 0.010 . . . . . . 42 LYS HG3 . 7395 1 405 . 1 1 42 42 LYS CA C 13 57.352 0.074 . . . . . . 42 LYS CA . 7395 1 406 . 1 1 42 42 LYS CB C 13 33.145 0.052 . . . . . . 42 LYS CB . 7395 1 407 . 1 1 42 42 LYS CD C 13 29.153 0.055 . . . . . . 42 LYS CD . 7395 1 408 . 1 1 42 42 LYS CE C 13 42.091 0.052 . . . . . . 42 LYS CE . 7395 1 409 . 1 1 42 42 LYS CG C 13 25.140 0.129 . . . . . . 42 LYS CG . 7395 1 410 . 1 1 42 42 LYS N N 15 122.734 0.021 . . . . . . 42 LYS N . 7395 1 411 . 1 1 43 43 GLN H H 1 8.199 0.009 . . . . . . 43 GLN HN . 7395 1 412 . 1 1 43 43 GLN HA H 1 4.164 0.004 . . . . . . 43 GLN HA . 7395 1 413 . 1 1 43 43 GLN HB2 H 1 0.732 0.005 . . . . . . 43 GLN HB2 . 7395 1 414 . 1 1 43 43 GLN HB3 H 1 1.356 0.006 . . . . . . 43 GLN HB3 . 7395 1 415 . 1 1 43 43 GLN HE21 H 1 6.625 0.008 . . . . . . 43 GLN HE21 . 7395 1 416 . 1 1 43 43 GLN HE22 H 1 7.195 0.005 . . . . . . 43 GLN HE22 . 7395 1 417 . 1 1 43 43 GLN HG2 H 1 1.555 0.004 . . . . . . 43 GLN QG . 7395 1 418 . 1 1 43 43 GLN HG3 H 1 1.555 0.004 . . . . . . 43 GLN QG . 7395 1 419 . 1 1 43 43 GLN CA C 13 52.978 0.072 . . . . . . 43 GLN CA . 7395 1 420 . 1 1 43 43 GLN CB C 13 28.589 0.075 . . . . . . 43 GLN CB . 7395 1 421 . 1 1 43 43 GLN CG C 13 33.616 0.027 . . . . . . 43 GLN CG . 7395 1 422 . 1 1 43 43 GLN N N 15 117.887 0.029 . . . . . . 43 GLN N . 7395 1 423 . 1 1 43 43 GLN NE2 N 15 110.205 0.009 . . . . . . 43 GLN NE2 . 7395 1 424 . 1 1 44 44 PRO HA H 1 4.355 0.005 . . . . . . 44 PRO HA . 7395 1 425 . 1 1 44 44 PRO HB2 H 1 1.894 0.008 . . . . . . 44 PRO QB . 7395 1 426 . 1 1 44 44 PRO HB3 H 1 1.894 0.008 . . . . . . 44 PRO QB . 7395 1 427 . 1 1 44 44 PRO HD2 H 1 3.146 0.007 . . . . . . 44 PRO HD2 . 7395 1 428 . 1 1 44 44 PRO HD3 H 1 3.422 0.009 . . . . . . 44 PRO HD3 . 7395 1 429 . 1 1 44 44 PRO HG2 H 1 1.732 0.007 . . . . . . 44 PRO QG . 7395 1 430 . 1 1 44 44 PRO HG3 H 1 1.732 0.007 . . . . . . 44 PRO QG . 7395 1 431 . 1 1 44 44 PRO CA C 13 62.546 0.056 . . . . . . 44 PRO CA . 7395 1 432 . 1 1 44 44 PRO CB C 13 32.470 0.000 . . . . . . 44 PRO CB . 7395 1 433 . 1 1 44 44 PRO CD C 13 50.357 0.075 . . . . . . 44 PRO CD . 7395 1 434 . 1 1 44 44 PRO CG C 13 27.504 0.041 . . . . . . 44 PRO CG . 7395 1 435 . 1 1 45 45 GLN H H 1 8.302 0.005 . . . . . . 45 GLN HN . 7395 1 436 . 1 1 45 45 GLN HA H 1 4.050 0.009 . . . . . . 45 GLN HA . 7395 1 437 . 1 1 45 45 GLN HB2 H 1 1.960 0.011 . . . . . . 45 GLN QB . 7395 1 438 . 1 1 45 45 GLN HB3 H 1 1.960 0.011 . . . . . . 45 GLN QB . 7395 1 439 . 1 1 45 45 GLN HE21 H 1 6.980 0.007 . . . . . . 45 GLN HE21 . 7395 1 440 . 1 1 45 45 GLN HE22 H 1 7.301 0.010 . . . . . . 45 GLN HE22 . 7395 1 441 . 1 1 45 45 GLN HG2 H 1 2.565 0.007 . . . . . . 45 GLN QG . 7395 1 442 . 1 1 45 45 GLN HG3 H 1 2.565 0.007 . . . . . . 45 GLN QG . 7395 1 443 . 1 1 45 45 GLN CA C 13 56.762 0.066 . . . . . . 45 GLN CA . 7395 1 444 . 1 1 45 45 GLN CG C 13 33.013 0.035 . . . . . . 45 GLN CG . 7395 1 445 . 1 1 45 45 GLN N N 15 122.362 0.014 . . . . . . 45 GLN N . 7395 1 446 . 1 1 46 46 ILE H H 1 8.564 0.007 . . . . . . 46 ILE HN . 7395 1 447 . 1 1 46 46 ILE HA H 1 4.584 0.006 . . . . . . 46 ILE HA . 7395 1 448 . 1 1 46 46 ILE HB H 1 1.624 0.006 . . . . . . 46 ILE HB . 7395 1 449 . 1 1 46 46 ILE HD11 H 1 0.731 0.006 . . . . . . 46 ILE QD1 . 7395 1 450 . 1 1 46 46 ILE HD12 H 1 0.731 0.006 . . . . . . 46 ILE QD1 . 7395 1 451 . 1 1 46 46 ILE HD13 H 1 0.731 0.006 . . . . . . 46 ILE QD1 . 7395 1 452 . 1 1 46 46 ILE HG12 H 1 1.313 0.010 . . . . . . 46 ILE HG12 . 7395 1 453 . 1 1 46 46 ILE HG13 H 1 1.794 0.010 . . . . . . 46 ILE HG13 . 7395 1 454 . 1 1 46 46 ILE HG21 H 1 0.954 0.005 . . . . . . 46 ILE QG2 . 7395 1 455 . 1 1 46 46 ILE HG22 H 1 0.954 0.005 . . . . . . 46 ILE QG2 . 7395 1 456 . 1 1 46 46 ILE HG23 H 1 0.954 0.005 . . . . . . 46 ILE QG2 . 7395 1 457 . 1 1 46 46 ILE CA C 13 61.697 0.069 . . . . . . 46 ILE CA . 7395 1 458 . 1 1 46 46 ILE CB C 13 37.458 0.054 . . . . . . 46 ILE CB . 7395 1 459 . 1 1 46 46 ILE CD1 C 13 13.748 0.106 . . . . . . 46 ILE CD1 . 7395 1 460 . 1 1 46 46 ILE CG1 C 13 28.597 0.098 . . . . . . 46 ILE CG1 . 7395 1 461 . 1 1 46 46 ILE CG2 C 13 19.341 0.041 . . . . . . 46 ILE CG2 . 7395 1 462 . 1 1 46 46 ILE N N 15 129.662 0.021 . . . . . . 46 ILE N . 7395 1 463 . 1 1 47 47 ILE H H 1 7.952 0.008 . . . . . . 47 ILE HN . 7395 1 464 . 1 1 47 47 ILE HA H 1 5.006 0.006 . . . . . . 47 ILE HA . 7395 1 465 . 1 1 47 47 ILE HB H 1 1.220 0.008 . . . . . . 47 ILE HB . 7395 1 466 . 1 1 47 47 ILE HD11 H 1 0.815 0.004 . . . . . . 47 ILE QD1 . 7395 1 467 . 1 1 47 47 ILE HD12 H 1 0.815 0.004 . . . . . . 47 ILE QD1 . 7395 1 468 . 1 1 47 47 ILE HD13 H 1 0.815 0.004 . . . . . . 47 ILE QD1 . 7395 1 469 . 1 1 47 47 ILE HG12 H 1 1.344 0.003 . . . . . . 47 ILE HG12 . 7395 1 470 . 1 1 47 47 ILE HG13 H 1 1.625 0.009 . . . . . . 47 ILE HG13 . 7395 1 471 . 1 1 47 47 ILE HG21 H 1 0.584 0.004 . . . . . . 47 ILE QG2 . 7395 1 472 . 1 1 47 47 ILE HG22 H 1 0.584 0.004 . . . . . . 47 ILE QG2 . 7395 1 473 . 1 1 47 47 ILE HG23 H 1 0.584 0.004 . . . . . . 47 ILE QG2 . 7395 1 474 . 1 1 47 47 ILE CA C 13 59.336 0.041 . . . . . . 47 ILE CA . 7395 1 475 . 1 1 47 47 ILE CB C 13 42.297 0.075 . . . . . . 47 ILE CB . 7395 1 476 . 1 1 47 47 ILE CD1 C 13 13.762 0.009 . . . . . . 47 ILE CD1 . 7395 1 477 . 1 1 47 47 ILE CG1 C 13 27.388 0.097 . . . . . . 47 ILE CG1 . 7395 1 478 . 1 1 47 47 ILE CG2 C 13 18.073 0.033 . . . . . . 47 ILE CG2 . 7395 1 479 . 1 1 47 47 ILE N N 15 129.623 0.032 . . . . . . 47 ILE N . 7395 1 480 . 1 1 48 48 PHE H H 1 8.463 0.002 . . . . . . 48 PHE HN . 7395 1 481 . 1 1 48 48 PHE HA H 1 5.011 0.008 . . . . . . 48 PHE HA . 7395 1 482 . 1 1 48 48 PHE HB2 H 1 2.654 0.009 . . . . . . 48 PHE HB2 . 7395 1 483 . 1 1 48 48 PHE HB3 H 1 3.244 0.005 . . . . . . 48 PHE HB3 . 7395 1 484 . 1 1 48 48 PHE HD1 H 1 6.702 0.010 . . . . . . 48 PHE QD . 7395 1 485 . 1 1 48 48 PHE HD2 H 1 6.702 0.010 . . . . . . 48 PHE QD . 7395 1 486 . 1 1 48 48 PHE HE1 H 1 6.613 0.006 . . . . . . 48 PHE QE . 7395 1 487 . 1 1 48 48 PHE HE2 H 1 6.613 0.006 . . . . . . 48 PHE QE . 7395 1 488 . 1 1 48 48 PHE HZ H 1 6.303 0.010 . . . . . . 48 PHE HZ . 7395 1 489 . 1 1 48 48 PHE CA C 13 55.982 0.088 . . . . . . 48 PHE CA . 7395 1 490 . 1 1 48 48 PHE CB C 13 40.593 0.006 . . . . . . 48 PHE CB . 7395 1 491 . 1 1 48 48 PHE CD1 C 13 132.779 0.066 . . . . . . 48 PHE CD1 . 7395 1 492 . 1 1 48 48 PHE CE1 C 13 130.411 0.117 . . . . . . 48 PHE CE1 . 7395 1 493 . 1 1 48 48 PHE CZ C 13 127.858 0.068 . . . . . . 48 PHE CZ . 7395 1 494 . 1 1 48 48 PHE N N 15 119.246 0.039 . . . . . . 48 PHE N . 7395 1 495 . 1 1 49 49 GLU H H 1 8.919 0.007 . . . . . . 49 GLU HN . 7395 1 496 . 1 1 49 49 GLU HA H 1 5.675 0.005 . . . . . . 49 GLU HA . 7395 1 497 . 1 1 49 49 GLU HB2 H 1 1.681 0.010 . . . . . . 49 GLU QB . 7395 1 498 . 1 1 49 49 GLU HB3 H 1 1.681 0.010 . . . . . . 49 GLU QB . 7395 1 499 . 1 1 49 49 GLU HG2 H 1 2.096 0.007 . . . . . . 49 GLU QG . 7395 1 500 . 1 1 49 49 GLU HG3 H 1 2.096 0.007 . . . . . . 49 GLU QG . 7395 1 501 . 1 1 49 49 GLU CA C 13 53.178 0.013 . . . . . . 49 GLU CA . 7395 1 502 . 1 1 49 49 GLU CB C 13 33.672 0.128 . . . . . . 49 GLU CB . 7395 1 503 . 1 1 49 49 GLU CG C 13 37.015 0.000 . . . . . . 49 GLU CG . 7395 1 504 . 1 1 49 49 GLU N N 15 117.767 0.035 . . . . . . 49 GLU N . 7395 1 505 . 1 1 50 50 ILE H H 1 8.634 0.007 . . . . . . 50 ILE HN . 7395 1 506 . 1 1 50 50 ILE HA H 1 5.124 0.007 . . . . . . 50 ILE HA . 7395 1 507 . 1 1 50 50 ILE HB H 1 1.568 0.006 . . . . . . 50 ILE HB . 7395 1 508 . 1 1 50 50 ILE HD11 H 1 0.864 0.004 . . . . . . 50 ILE QD1 . 7395 1 509 . 1 1 50 50 ILE HD12 H 1 0.864 0.004 . . . . . . 50 ILE QD1 . 7395 1 510 . 1 1 50 50 ILE HD13 H 1 0.864 0.004 . . . . . . 50 ILE QD1 . 7395 1 511 . 1 1 50 50 ILE HG12 H 1 1.208 0.007 . . . . . . 50 ILE HG12 . 7395 1 512 . 1 1 50 50 ILE HG13 H 1 1.743 0.008 . . . . . . 50 ILE HG13 . 7395 1 513 . 1 1 50 50 ILE HG21 H 1 0.289 0.006 . . . . . . 50 ILE QG2 . 7395 1 514 . 1 1 50 50 ILE HG22 H 1 0.289 0.006 . . . . . . 50 ILE QG2 . 7395 1 515 . 1 1 50 50 ILE HG23 H 1 0.289 0.006 . . . . . . 50 ILE QG2 . 7395 1 516 . 1 1 50 50 ILE CA C 13 59.775 0.053 . . . . . . 50 ILE CA . 7395 1 517 . 1 1 50 50 ILE CB C 13 43.015 0.060 . . . . . . 50 ILE CB . 7395 1 518 . 1 1 50 50 ILE CD1 C 13 15.052 0.085 . . . . . . 50 ILE CD1 . 7395 1 519 . 1 1 50 50 ILE CG1 C 13 28.617 0.134 . . . . . . 50 ILE CG1 . 7395 1 520 . 1 1 50 50 ILE CG2 C 13 16.790 0.024 . . . . . . 50 ILE CG2 . 7395 1 521 . 1 1 50 50 ILE N N 15 119.083 0.035 . . . . . . 50 ILE N . 7395 1 522 . 1 1 51 51 THR H H 1 8.663 0.007 . . . . . . 51 THR HN . 7395 1 523 . 1 1 51 51 THR HA H 1 4.944 0.006 . . . . . . 51 THR HA . 7395 1 524 . 1 1 51 51 THR HB H 1 3.916 0.006 . . . . . . 51 THR HB . 7395 1 525 . 1 1 51 51 THR HG21 H 1 1.055 0.006 . . . . . . 51 THR QG2 . 7395 1 526 . 1 1 51 51 THR HG22 H 1 1.055 0.006 . . . . . . 51 THR QG2 . 7395 1 527 . 1 1 51 51 THR HG23 H 1 1.055 0.006 . . . . . . 51 THR QG2 . 7395 1 528 . 1 1 51 51 THR CA C 13 63.069 0.064 . . . . . . 51 THR CA . 7395 1 529 . 1 1 51 51 THR CB C 13 70.289 0.090 . . . . . . 51 THR CB . 7395 1 530 . 1 1 51 51 THR CG2 C 13 21.242 0.049 . . . . . . 51 THR CG2 . 7395 1 531 . 1 1 51 51 THR N N 15 125.541 0.036 . . . . . . 51 THR N . 7395 1 532 . 1 1 52 52 LEU H H 1 8.761 0.009 . . . . . . 52 LEU HN . 7395 1 533 . 1 1 52 52 LEU HA H 1 4.801 0.007 . . . . . . 52 LEU HA . 7395 1 534 . 1 1 52 52 LEU HB2 H 1 1.267 0.008 . . . . . . 52 LEU HB2 . 7395 1 535 . 1 1 52 52 LEU HB3 H 1 1.486 0.007 . . . . . . 52 LEU HB3 . 7395 1 536 . 1 1 52 52 LEU HD11 H 1 0.889 0.007 . . . . . . 52 LEU QD1 . 7395 1 537 . 1 1 52 52 LEU HD12 H 1 0.889 0.007 . . . . . . 52 LEU QD1 . 7395 1 538 . 1 1 52 52 LEU HD13 H 1 0.889 0.007 . . . . . . 52 LEU QD1 . 7395 1 539 . 1 1 52 52 LEU HD21 H 1 0.841 0.006 . . . . . . 52 LEU QD2 . 7395 1 540 . 1 1 52 52 LEU HD22 H 1 0.841 0.006 . . . . . . 52 LEU QD2 . 7395 1 541 . 1 1 52 52 LEU HD23 H 1 0.841 0.006 . . . . . . 52 LEU QD2 . 7395 1 542 . 1 1 52 52 LEU HG H 1 1.488 0.008 . . . . . . 52 LEU HG . 7395 1 543 . 1 1 52 52 LEU CA C 13 53.191 0.017 . . . . . . 52 LEU CA . 7395 1 544 . 1 1 52 52 LEU CB C 13 46.188 0.020 . . . . . . 52 LEU CB . 7395 1 545 . 1 1 52 52 LEU CD1 C 13 24.303 0.065 . . . . . . 52 LEU CD1 . 7395 1 546 . 1 1 52 52 LEU CD2 C 13 27.469 0.057 . . . . . . 52 LEU CD2 . 7395 1 547 . 1 1 52 52 LEU CG C 13 27.097 0.138 . . . . . . 52 LEU CG . 7395 1 548 . 1 1 52 52 LEU N N 15 125.483 0.015 . . . . . . 52 LEU N . 7395 1 549 . 1 1 53 53 ARG H H 1 9.186 0.008 . . . . . . 53 ARG HN . 7395 1 550 . 1 1 53 53 ARG HA H 1 5.158 0.010 . . . . . . 53 ARG HA . 7395 1 551 . 1 1 53 53 ARG HB2 H 1 1.518 0.005 . . . . . . 53 ARG HB2 . 7395 1 552 . 1 1 53 53 ARG HB3 H 1 1.692 0.010 . . . . . . 53 ARG HB3 . 7395 1 553 . 1 1 53 53 ARG HD2 H 1 3.127 0.003 . . . . . . 53 ARG HD2 . 7395 1 554 . 1 1 53 53 ARG HD3 H 1 3.316 0.005 . . . . . . 53 ARG HD3 . 7395 1 555 . 1 1 53 53 ARG HE H 1 7.351 0.010 . . . . . . 53 ARG HE . 7395 1 556 . 1 1 53 53 ARG HG2 H 1 1.322 0.006 . . . . . . 53 ARG HG2 . 7395 1 557 . 1 1 53 53 ARG HG3 H 1 1.510 0.009 . . . . . . 53 ARG HG3 . 7395 1 558 . 1 1 53 53 ARG CA C 13 53.649 0.063 . . . . . . 53 ARG CA . 7395 1 559 . 1 1 53 53 ARG CB C 13 33.756 0.031 . . . . . . 53 ARG CB . 7395 1 560 . 1 1 53 53 ARG CD C 13 42.384 0.028 . . . . . . 53 ARG CD . 7395 1 561 . 1 1 53 53 ARG CG C 13 26.775 0.081 . . . . . . 53 ARG CG . 7395 1 562 . 1 1 53 53 ARG N N 15 118.915 0.058 . . . . . . 53 ARG N . 7395 1 563 . 1 1 53 53 ARG NE N 15 111.050 0.016 . . . . . . 53 ARG NE . 7395 1 564 . 1 1 54 54 SER H H 1 9.186 0.009 . . . . . . 54 SER HN . 7395 1 565 . 1 1 54 54 SER HA H 1 4.251 0.012 . . . . . . 54 SER HA . 7395 1 566 . 1 1 54 54 SER HB2 H 1 3.852 0.006 . . . . . . 54 SER HB2 . 7395 1 567 . 1 1 54 54 SER HB3 H 1 4.488 0.014 . . . . . . 54 SER HB3 . 7395 1 568 . 1 1 54 54 SER CA C 13 57.999 0.067 . . . . . . 54 SER CA . 7395 1 569 . 1 1 54 54 SER CB C 13 63.751 0.073 . . . . . . 54 SER CB . 7395 1 570 . 1 1 54 54 SER N N 15 118.872 0.047 . . . . . . 54 SER N . 7395 1 571 . 1 1 55 55 VAL H H 1 9.326 0.007 . . . . . . 55 VAL HN . 7395 1 572 . 1 1 55 55 VAL HA H 1 3.743 0.005 . . . . . . 55 VAL HA . 7395 1 573 . 1 1 55 55 VAL HB H 1 2.053 0.008 . . . . . . 55 VAL HB . 7395 1 574 . 1 1 55 55 VAL HG11 H 1 0.952 0.008 . . . . . . 55 VAL QG1 . 7395 1 575 . 1 1 55 55 VAL HG12 H 1 0.952 0.008 . . . . . . 55 VAL QG1 . 7395 1 576 . 1 1 55 55 VAL HG13 H 1 0.952 0.008 . . . . . . 55 VAL QG1 . 7395 1 577 . 1 1 55 55 VAL HG21 H 1 1.081 0.005 . . . . . . 55 VAL QG2 . 7395 1 578 . 1 1 55 55 VAL HG22 H 1 1.081 0.005 . . . . . . 55 VAL QG2 . 7395 1 579 . 1 1 55 55 VAL HG23 H 1 1.081 0.005 . . . . . . 55 VAL QG2 . 7395 1 580 . 1 1 55 55 VAL CA C 13 65.658 0.019 . . . . . . 55 VAL CA . 7395 1 581 . 1 1 55 55 VAL CB C 13 31.789 0.101 . . . . . . 55 VAL CB . 7395 1 582 . 1 1 55 55 VAL CG1 C 13 20.724 0.022 . . . . . . 55 VAL CG1 . 7395 1 583 . 1 1 55 55 VAL CG2 C 13 22.379 0.016 . . . . . . 55 VAL CG2 . 7395 1 584 . 1 1 55 55 VAL N N 15 124.300 0.000 . . . . . . 55 VAL N . 7395 1 585 . 1 1 56 56 ASP H H 1 8.545 0.008 . . . . . . 56 ASP HN . 7395 1 586 . 1 1 56 56 ASP HA H 1 4.770 0.004 . . . . . . 56 ASP HA . 7395 1 587 . 1 1 56 56 ASP HB2 H 1 2.558 0.007 . . . . . . 56 ASP HB2 . 7395 1 588 . 1 1 56 56 ASP HB3 H 1 2.718 0.007 . . . . . . 56 ASP HB3 . 7395 1 589 . 1 1 56 56 ASP CA C 13 54.277 0.074 . . . . . . 56 ASP CA . 7395 1 590 . 1 1 56 56 ASP CB C 13 41.330 0.088 . . . . . . 56 ASP CB . 7395 1 591 . 1 1 56 56 ASP N N 15 119.545 0.012 . . . . . . 56 ASP N . 7395 1 592 . 1 1 57 57 LYS H H 1 8.426 0.010 . . . . . . 57 LYS HN . 7395 1 593 . 1 1 57 57 LYS HA H 1 4.268 0.007 . . . . . . 57 LYS HA . 7395 1 594 . 1 1 57 57 LYS HB2 H 1 1.613 0.006 . . . . . . 57 LYS HB2 . 7395 1 595 . 1 1 57 57 LYS HB3 H 1 1.953 0.004 . . . . . . 57 LYS HB3 . 7395 1 596 . 1 1 57 57 LYS HD2 H 1 1.517 0.006 . . . . . . 57 LYS HD2 . 7395 1 597 . 1 1 57 57 LYS HD3 H 1 1.560 0.007 . . . . . . 57 LYS HD3 . 7395 1 598 . 1 1 57 57 LYS HE2 H 1 2.991 0.007 . . . . . . 57 LYS QE . 7395 1 599 . 1 1 57 57 LYS HE3 H 1 2.991 0.007 . . . . . . 57 LYS QE . 7395 1 600 . 1 1 57 57 LYS HG2 H 1 1.354 0.004 . . . . . . 57 LYS HG2 . 7395 1 601 . 1 1 57 57 LYS HG3 H 1 1.395 0.008 . . . . . . 57 LYS HG3 . 7395 1 602 . 1 1 57 57 LYS CA C 13 54.447 0.033 . . . . . . 57 LYS CA . 7395 1 603 . 1 1 57 57 LYS CB C 13 33.548 0.103 . . . . . . 57 LYS CB . 7395 1 604 . 1 1 57 57 LYS CD C 13 28.664 0.061 . . . . . . 57 LYS CD . 7395 1 605 . 1 1 57 57 LYS CE C 13 42.577 0.019 . . . . . . 57 LYS CE . 7395 1 606 . 1 1 57 57 LYS CG C 13 24.760 0.156 . . . . . . 57 LYS CG . 7395 1 607 . 1 1 57 57 LYS N N 15 117.382 0.041 . . . . . . 57 LYS N . 7395 1 608 . 1 1 58 58 GLU H H 1 7.379 0.006 . . . . . . 58 GLU HN . 7395 1 609 . 1 1 58 58 GLU HA H 1 4.541 0.009 . . . . . . 58 GLU HA . 7395 1 610 . 1 1 58 58 GLU HB2 H 1 1.820 0.006 . . . . . . 58 GLU HB2 . 7395 1 611 . 1 1 58 58 GLU HB3 H 1 1.936 0.001 . . . . . . 58 GLU HB3 . 7395 1 612 . 1 1 58 58 GLU HG2 H 1 2.116 0.008 . . . . . . 58 GLU QG . 7395 1 613 . 1 1 58 58 GLU HG3 H 1 2.116 0.008 . . . . . . 58 GLU QG . 7395 1 614 . 1 1 58 58 GLU CA C 13 52.511 0.028 . . . . . . 58 GLU CA . 7395 1 615 . 1 1 58 58 GLU CB C 13 31.326 0.112 . . . . . . 58 GLU CB . 7395 1 616 . 1 1 58 58 GLU CG C 13 35.570 0.030 . . . . . . 58 GLU CG . 7395 1 617 . 1 1 58 58 GLU N N 15 116.871 0.006 . . . . . . 58 GLU N . 7395 1 618 . 1 1 59 59 PRO HA H 1 4.630 0.008 . . . . . . 59 PRO HA . 7395 1 619 . 1 1 59 59 PRO HB2 H 1 2.135 0.006 . . . . . . 59 PRO HB2 . 7395 1 620 . 1 1 59 59 PRO HB3 H 1 2.439 0.004 . . . . . . 59 PRO HB3 . 7395 1 621 . 1 1 59 59 PRO HD2 H 1 3.559 0.003 . . . . . . 59 PRO HD2 . 7395 1 622 . 1 1 59 59 PRO HD3 H 1 3.738 0.005 . . . . . . 59 PRO HD3 . 7395 1 623 . 1 1 59 59 PRO HG2 H 1 1.875 0.008 . . . . . . 59 PRO HG2 . 7395 1 624 . 1 1 59 59 PRO HG3 H 1 2.067 0.007 . . . . . . 59 PRO HG3 . 7395 1 625 . 1 1 59 59 PRO CA C 13 64.510 0.084 . . . . . . 59 PRO CA . 7395 1 626 . 1 1 59 59 PRO CB C 13 34.158 0.047 . . . . . . 59 PRO CB . 7395 1 627 . 1 1 59 59 PRO CD C 13 49.905 0.054 . . . . . . 59 PRO CD . 7395 1 628 . 1 1 59 59 PRO CG C 13 25.074 0.103 . . . . . . 59 PRO CG . 7395 1 629 . 1 1 60 60 VAL H H 1 6.790 0.008 . . . . . . 60 VAL HN . 7395 1 630 . 1 1 60 60 VAL HA H 1 4.409 0.006 . . . . . . 60 VAL HA . 7395 1 631 . 1 1 60 60 VAL HB H 1 2.070 0.009 . . . . . . 60 VAL HB . 7395 1 632 . 1 1 60 60 VAL HG11 H 1 0.861 0.004 . . . . . . 60 VAL QG1 . 7395 1 633 . 1 1 60 60 VAL HG12 H 1 0.861 0.004 . . . . . . 60 VAL QG1 . 7395 1 634 . 1 1 60 60 VAL HG13 H 1 0.861 0.004 . . . . . . 60 VAL QG1 . 7395 1 635 . 1 1 60 60 VAL HG21 H 1 0.660 0.009 . . . . . . 60 VAL QG2 . 7395 1 636 . 1 1 60 60 VAL HG22 H 1 0.660 0.009 . . . . . . 60 VAL QG2 . 7395 1 637 . 1 1 60 60 VAL HG23 H 1 0.660 0.009 . . . . . . 60 VAL QG2 . 7395 1 638 . 1 1 60 60 VAL CA C 13 58.854 0.017 . . . . . . 60 VAL CA . 7395 1 639 . 1 1 60 60 VAL CB C 13 36.032 0.105 . . . . . . 60 VAL CB . 7395 1 640 . 1 1 60 60 VAL CG1 C 13 21.908 0.009 . . . . . . 60 VAL CG1 . 7395 1 641 . 1 1 60 60 VAL CG2 C 13 18.728 0.032 . . . . . . 60 VAL CG2 . 7395 1 642 . 1 1 60 60 VAL N N 15 112.600 0.024 . . . . . . 60 VAL N . 7395 1 643 . 1 1 61 61 GLU H H 1 8.438 0.008 . . . . . . 61 GLU HN . 7395 1 644 . 1 1 61 61 GLU HA H 1 4.520 0.007 . . . . . . 61 GLU HA . 7395 1 645 . 1 1 61 61 GLU HG2 H 1 2.024 0.009 . . . . . . 61 GLU HG2 . 7395 1 646 . 1 1 61 61 GLU HG3 H 1 2.117 0.007 . . . . . . 61 GLU HG3 . 7395 1 647 . 1 1 61 61 GLU CA C 13 54.730 0.133 . . . . . . 61 GLU CA . 7395 1 648 . 1 1 61 61 GLU CG C 13 37.393 0.062 . . . . . . 61 GLU CG . 7395 1 649 . 1 1 61 61 GLU N N 15 121.370 0.023 . . . . . . 61 GLU N . 7395 1 650 . 1 1 62 62 SER H H 1 8.451 0.005 . . . . . . 62 SER HN . 7395 1 651 . 1 1 62 62 SER HA H 1 5.221 0.007 . . . . . . 62 SER HA . 7395 1 652 . 1 1 62 62 SER HB2 H 1 3.511 0.008 . . . . . . 62 SER HB2 . 7395 1 653 . 1 1 62 62 SER HB3 H 1 3.898 0.008 . . . . . . 62 SER HB3 . 7395 1 654 . 1 1 62 62 SER CA C 13 58.245 0.084 . . . . . . 62 SER CA . 7395 1 655 . 1 1 62 62 SER CB C 13 65.233 0.153 . . . . . . 62 SER CB . 7395 1 656 . 1 1 62 62 SER N N 15 125.216 0.026 . . . . . . 62 SER N . 7395 1 657 . 1 1 63 63 SER H H 1 9.196 0.004 . . . . . . 63 SER HN . 7395 1 658 . 1 1 63 63 SER HA H 1 5.246 0.007 . . . . . . 63 SER HA . 7395 1 659 . 1 1 63 63 SER HB2 H 1 3.687 0.006 . . . . . . 63 SER HB2 . 7395 1 660 . 1 1 63 63 SER HB3 H 1 3.853 0.005 . . . . . . 63 SER HB3 . 7395 1 661 . 1 1 63 63 SER CA C 13 57.535 0.085 . . . . . . 63 SER CA . 7395 1 662 . 1 1 63 63 SER CB C 13 65.620 0.081 . . . . . . 63 SER CB . 7395 1 663 . 1 1 63 63 SER N N 15 117.460 0.016 . . . . . . 63 SER N . 7395 1 664 . 1 1 64 64 ILE H H 1 8.609 0.009 . . . . . . 64 ILE HN . 7395 1 665 . 1 1 64 64 ILE HA H 1 4.308 0.008 . . . . . . 64 ILE HA . 7395 1 666 . 1 1 64 64 ILE HB H 1 1.524 0.004 . . . . . . 64 ILE HB . 7395 1 667 . 1 1 64 64 ILE HD11 H 1 0.583 0.007 . . . . . . 64 ILE QD1 . 7395 1 668 . 1 1 64 64 ILE HD12 H 1 0.583 0.007 . . . . . . 64 ILE QD1 . 7395 1 669 . 1 1 64 64 ILE HD13 H 1 0.583 0.007 . . . . . . 64 ILE QD1 . 7395 1 670 . 1 1 64 64 ILE HG12 H 1 0.986 0.007 . . . . . . 64 ILE HG12 . 7395 1 671 . 1 1 64 64 ILE HG13 H 1 1.630 0.006 . . . . . . 64 ILE HG13 . 7395 1 672 . 1 1 64 64 ILE HG21 H 1 0.890 0.008 . . . . . . 64 ILE QG2 . 7395 1 673 . 1 1 64 64 ILE HG22 H 1 0.890 0.008 . . . . . . 64 ILE QG2 . 7395 1 674 . 1 1 64 64 ILE HG23 H 1 0.890 0.008 . . . . . . 64 ILE QG2 . 7395 1 675 . 1 1 64 64 ILE CA C 13 61.705 0.056 . . . . . . 64 ILE CA . 7395 1 676 . 1 1 64 64 ILE CB C 13 44.901 0.010 . . . . . . 64 ILE CB . 7395 1 677 . 1 1 64 64 ILE CD1 C 13 15.401 0.129 . . . . . . 64 ILE CD1 . 7395 1 678 . 1 1 64 64 ILE CG1 C 13 28.497 0.146 . . . . . . 64 ILE CG1 . 7395 1 679 . 1 1 64 64 ILE CG2 C 13 17.961 0.033 . . . . . . 64 ILE CG2 . 7395 1 680 . 1 1 64 64 ILE N N 15 119.573 0.028 . . . . . . 64 ILE N . 7395 1 681 . 1 1 65 65 THR H H 1 8.373 0.008 . . . . . . 65 THR HN . 7395 1 682 . 1 1 65 65 THR HA H 1 5.133 0.007 . . . . . . 65 THR HA . 7395 1 683 . 1 1 65 65 THR HB H 1 3.768 0.006 . . . . . . 65 THR HB . 7395 1 684 . 1 1 65 65 THR HG21 H 1 0.911 0.010 . . . . . . 65 THR QG2 . 7395 1 685 . 1 1 65 65 THR HG22 H 1 0.911 0.010 . . . . . . 65 THR QG2 . 7395 1 686 . 1 1 65 65 THR HG23 H 1 0.911 0.010 . . . . . . 65 THR QG2 . 7395 1 687 . 1 1 65 65 THR CA C 13 61.942 0.086 . . . . . . 65 THR CA . 7395 1 688 . 1 1 65 65 THR CB C 13 69.382 0.080 . . . . . . 65 THR CB . 7395 1 689 . 1 1 65 65 THR CG2 C 13 21.129 0.042 . . . . . . 65 THR CG2 . 7395 1 690 . 1 1 65 65 THR N N 15 120.636 0.015 . . . . . . 65 THR N . 7395 1 691 . 1 1 66 66 LEU H H 1 9.207 0.005 . . . . . . 66 LEU HN . 7395 1 692 . 1 1 66 66 LEU HA H 1 4.373 0.009 . . . . . . 66 LEU HA . 7395 1 693 . 1 1 66 66 LEU HB2 H 1 0.567 0.006 . . . . . . 66 LEU HB2 . 7395 1 694 . 1 1 66 66 LEU HB3 H 1 1.727 0.008 . . . . . . 66 LEU HB3 . 7395 1 695 . 1 1 66 66 LEU HD11 H 1 0.827 0.004 . . . . . . 66 LEU QD1 . 7395 1 696 . 1 1 66 66 LEU HD12 H 1 0.827 0.004 . . . . . . 66 LEU QD1 . 7395 1 697 . 1 1 66 66 LEU HD13 H 1 0.827 0.004 . . . . . . 66 LEU QD1 . 7395 1 698 . 1 1 66 66 LEU HD21 H 1 0.934 0.004 . . . . . . 66 LEU QD2 . 7395 1 699 . 1 1 66 66 LEU HD22 H 1 0.934 0.004 . . . . . . 66 LEU QD2 . 7395 1 700 . 1 1 66 66 LEU HD23 H 1 0.934 0.004 . . . . . . 66 LEU QD2 . 7395 1 701 . 1 1 66 66 LEU HG H 1 1.644 0.006 . . . . . . 66 LEU HG . 7395 1 702 . 1 1 66 66 LEU CA C 13 53.745 0.117 . . . . . . 66 LEU CA . 7395 1 703 . 1 1 66 66 LEU CB C 13 44.207 0.068 . . . . . . 66 LEU CB . 7395 1 704 . 1 1 66 66 LEU CD1 C 13 24.424 0.037 . . . . . . 66 LEU CD1 . 7395 1 705 . 1 1 66 66 LEU CD2 C 13 26.699 0.047 . . . . . . 66 LEU CD2 . 7395 1 706 . 1 1 66 66 LEU CG C 13 27.606 0.130 . . . . . . 66 LEU CG . 7395 1 707 . 1 1 66 66 LEU N N 15 127.837 0.033 . . . . . . 66 LEU N . 7395 1 708 . 1 1 67 67 HIS H H 1 8.813 0.005 . . . . . . 67 HIS HN . 7395 1 709 . 1 1 67 67 HIS HA H 1 4.825 0.010 . . . . . . 67 HIS HA . 7395 1 710 . 1 1 67 67 HIS HB2 H 1 2.371 0.007 . . . . . . 67 HIS HB2 . 7395 1 711 . 1 1 67 67 HIS HB3 H 1 3.089 0.000 . . . . . . 67 HIS HB3 . 7395 1 712 . 1 1 67 67 HIS HD2 H 1 7.199 0.007 . . . . . . 67 HIS HD2 . 7395 1 713 . 1 1 67 67 HIS HE1 H 1 8.168 0.007 . . . . . . 67 HIS HE1 . 7395 1 714 . 1 1 67 67 HIS CA C 13 54.636 0.106 . . . . . . 67 HIS CA . 7395 1 715 . 1 1 67 67 HIS CB C 13 29.333 0.086 . . . . . . 67 HIS CB . 7395 1 716 . 1 1 67 67 HIS CD2 C 13 120.406 0.000 . . . . . . 67 HIS CD2 . 7395 1 717 . 1 1 67 67 HIS CE1 C 13 136.188 0.033 . . . . . . 67 HIS CE1 . 7395 1 718 . 1 1 67 67 HIS N N 15 123.357 0.041 . . . . . . 67 HIS N . 7395 1 719 . 1 1 68 68 PHE H H 1 8.877 0.009 . . . . . . 68 PHE HN . 7395 1 720 . 1 1 68 68 PHE HA H 1 4.697 0.008 . . . . . . 68 PHE HA . 7395 1 721 . 1 1 68 68 PHE HB2 H 1 1.058 0.011 . . . . . . 68 PHE HB2 . 7395 1 722 . 1 1 68 68 PHE HB3 H 1 1.663 0.010 . . . . . . 68 PHE HB3 . 7395 1 723 . 1 1 68 68 PHE HD1 H 1 6.458 0.008 . . . . . . 68 PHE QD . 7395 1 724 . 1 1 68 68 PHE HD2 H 1 6.458 0.008 . . . . . . 68 PHE QD . 7395 1 725 . 1 1 68 68 PHE HE1 H 1 6.810 0.010 . . . . . . 68 PHE QE . 7395 1 726 . 1 1 68 68 PHE HE2 H 1 6.810 0.010 . . . . . . 68 PHE QE . 7395 1 727 . 1 1 68 68 PHE CA C 13 56.216 0.045 . . . . . . 68 PHE CA . 7395 1 728 . 1 1 68 68 PHE CB C 13 41.841 0.095 . . . . . . 68 PHE CB . 7395 1 729 . 1 1 68 68 PHE CD1 C 13 133.042 0.144 . . . . . . 68 PHE CD1 . 7395 1 730 . 1 1 68 68 PHE CE1 C 13 130.159 0.075 . . . . . . 68 PHE CE1 . 7395 1 731 . 1 1 68 68 PHE N N 15 125.715 0.018 . . . . . . 68 PHE N . 7395 1 732 . 1 1 69 69 ALA H H 1 8.632 0.007 . . . . . . 69 ALA HN . 7395 1 733 . 1 1 69 69 ALA HA H 1 4.928 0.007 . . . . . . 69 ALA HA . 7395 1 734 . 1 1 69 69 ALA HB1 H 1 1.216 0.005 . . . . . . 69 ALA QB . 7395 1 735 . 1 1 69 69 ALA HB2 H 1 1.216 0.005 . . . . . . 69 ALA QB . 7395 1 736 . 1 1 69 69 ALA HB3 H 1 1.216 0.005 . . . . . . 69 ALA QB . 7395 1 737 . 1 1 69 69 ALA CA C 13 50.490 0.049 . . . . . . 69 ALA CA . 7395 1 738 . 1 1 69 69 ALA CB C 13 21.112 0.039 . . . . . . 69 ALA CB . 7395 1 739 . 1 1 69 69 ALA N N 15 121.342 0.017 . . . . . . 69 ALA N . 7395 1 740 . 1 1 70 70 MET H H 1 8.932 0.006 . . . . . . 70 MET HN . 7395 1 741 . 1 1 70 70 MET HA H 1 3.948 0.007 . . . . . . 70 MET HA . 7395 1 742 . 1 1 70 70 MET HB2 H 1 1.731 0.008 . . . . . . 70 MET HB2 . 7395 1 743 . 1 1 70 70 MET HB3 H 1 2.315 0.010 . . . . . . 70 MET HB3 . 7395 1 744 . 1 1 70 70 MET HE1 H 1 1.587 0.005 . . . . . . 70 MET QE . 7395 1 745 . 1 1 70 70 MET HE2 H 1 1.587 0.005 . . . . . . 70 MET QE . 7395 1 746 . 1 1 70 70 MET HE3 H 1 1.587 0.005 . . . . . . 70 MET QE . 7395 1 747 . 1 1 70 70 MET HG2 H 1 2.192 0.010 . . . . . . 70 MET HG2 . 7395 1 748 . 1 1 70 70 MET HG3 H 1 2.332 0.011 . . . . . . 70 MET HG3 . 7395 1 749 . 1 1 70 70 MET CA C 13 56.401 0.078 . . . . . . 70 MET CA . 7395 1 750 . 1 1 70 70 MET CB C 13 32.538 0.070 . . . . . . 70 MET CB . 7395 1 751 . 1 1 70 70 MET CE C 13 18.578 0.017 . . . . . . 70 MET CE . 7395 1 752 . 1 1 70 70 MET CG C 13 34.207 0.064 . . . . . . 70 MET CG . 7395 1 753 . 1 1 70 70 MET N N 15 121.418 0.038 . . . . . . 70 MET N . 7395 1 754 . 1 1 71 71 THR H H 1 6.313 0.009 . . . . . . 71 THR HN . 7395 1 755 . 1 1 71 71 THR HA H 1 4.577 0.009 . . . . . . 71 THR HA . 7395 1 756 . 1 1 71 71 THR HB H 1 4.541 0.011 . . . . . . 71 THR HB . 7395 1 757 . 1 1 71 71 THR HG21 H 1 1.446 0.007 . . . . . . 71 THR QG2 . 7395 1 758 . 1 1 71 71 THR HG22 H 1 1.446 0.007 . . . . . . 71 THR QG2 . 7395 1 759 . 1 1 71 71 THR HG23 H 1 1.446 0.007 . . . . . . 71 THR QG2 . 7395 1 760 . 1 1 71 71 THR CA C 13 58.038 0.033 . . . . . . 71 THR CA . 7395 1 761 . 1 1 71 71 THR CB C 13 68.707 0.076 . . . . . . 71 THR CB . 7395 1 762 . 1 1 71 71 THR CG2 C 13 23.013 0.052 . . . . . . 71 THR CG2 . 7395 1 763 . 1 1 71 71 THR N N 15 111.883 0.034 . . . . . . 71 THR N . 7395 1 764 . 1 1 72 72 PRO HA H 1 4.315 0.004 . . . . . . 72 PRO HA . 7395 1 765 . 1 1 72 72 PRO HB2 H 1 1.882 0.003 . . . . . . 72 PRO HB2 . 7395 1 766 . 1 1 72 72 PRO HB3 H 1 2.463 0.011 . . . . . . 72 PRO HB3 . 7395 1 767 . 1 1 72 72 PRO HD2 H 1 3.778 0.008 . . . . . . 72 PRO QD . 7395 1 768 . 1 1 72 72 PRO HD3 H 1 3.778 0.008 . . . . . . 72 PRO QD . 7395 1 769 . 1 1 72 72 PRO HG2 H 1 2.136 0.009 . . . . . . 72 PRO QG . 7395 1 770 . 1 1 72 72 PRO HG3 H 1 2.136 0.009 . . . . . . 72 PRO QG . 7395 1 771 . 1 1 72 72 PRO CA C 13 66.541 0.104 . . . . . . 72 PRO CA . 7395 1 772 . 1 1 72 72 PRO CB C 13 32.385 0.033 . . . . . . 72 PRO CB . 7395 1 773 . 1 1 72 72 PRO CD C 13 50.068 0.051 . . . . . . 72 PRO CD . 7395 1 774 . 1 1 72 72 PRO CG C 13 27.685 0.056 . . . . . . 72 PRO CG . 7395 1 775 . 1 1 73 73 MET H H 1 7.637 0.004 . . . . . . 73 MET HN . 7395 1 776 . 1 1 73 73 MET HA H 1 3.825 0.008 . . . . . . 73 MET HA . 7395 1 777 . 1 1 73 73 MET HB2 H 1 1.744 0.010 . . . . . . 73 MET HB2 . 7395 1 778 . 1 1 73 73 MET HB3 H 1 2.019 0.001 . . . . . . 73 MET HB3 . 7395 1 779 . 1 1 73 73 MET HE1 H 1 2.062 0.010 . . . . . . 73 MET QE . 7395 1 780 . 1 1 73 73 MET HE2 H 1 2.062 0.010 . . . . . . 73 MET QE . 7395 1 781 . 1 1 73 73 MET HE3 H 1 2.062 0.010 . . . . . . 73 MET QE . 7395 1 782 . 1 1 73 73 MET HG2 H 1 2.133 0.010 . . . . . . 73 MET HG2 . 7395 1 783 . 1 1 73 73 MET HG3 H 1 2.324 0.010 . . . . . . 73 MET HG3 . 7395 1 784 . 1 1 73 73 MET CA C 13 53.206 0.053 . . . . . . 73 MET CA . 7395 1 785 . 1 1 73 73 MET CB C 13 31.283 0.000 . . . . . . 73 MET CB . 7395 1 786 . 1 1 73 73 MET CE C 13 17.150 0.085 . . . . . . 73 MET CE . 7395 1 787 . 1 1 73 73 MET CG C 13 32.726 0.102 . . . . . . 73 MET CG . 7395 1 788 . 1 1 73 73 MET N N 15 107.550 0.014 . . . . . . 73 MET N . 7395 1 789 . 1 1 74 74 TYR H H 1 7.453 0.008 . . . . . . 74 TYR HN . 7395 1 790 . 1 1 74 74 TYR HA H 1 4.919 0.006 . . . . . . 74 TYR HA . 7395 1 791 . 1 1 74 74 TYR HB2 H 1 2.785 0.009 . . . . . . 74 TYR HB2 . 7395 1 792 . 1 1 74 74 TYR HB3 H 1 3.073 0.009 . . . . . . 74 TYR HB3 . 7395 1 793 . 1 1 74 74 TYR HD1 H 1 7.080 0.000 . . . . . . 74 TYR HD1 . 7395 1 794 . 1 1 74 74 TYR HD2 H 1 7.230 0.000 . . . . . . 74 TYR HD2 . 7395 1 795 . 1 1 74 74 TYR HE1 H 1 7.210 0.000 . . . . . . 74 TYR HE1 . 7395 1 796 . 1 1 74 74 TYR HE2 H 1 6.620 0.000 . . . . . . 74 TYR HE2 . 7395 1 797 . 1 1 74 74 TYR CA C 13 56.946 0.062 . . . . . . 74 TYR CA . 7395 1 798 . 1 1 74 74 TYR CB C 13 37.340 0.137 . . . . . . 74 TYR CB . 7395 1 799 . 1 1 74 74 TYR CD1 C 13 133.118 0.094 . . . . . . 74 TYR CD1 . 7395 1 800 . 1 1 74 74 TYR CE2 C 13 118.330 0.000 . . . . . . 74 TYR CE2 . 7395 1 801 . 1 1 74 74 TYR N N 15 124.900 0.052 . . . . . . 74 TYR N . 7395 1 802 . 1 1 75 75 PRO HA H 1 3.686 0.008 . . . . . . 75 PRO HA . 7395 1 803 . 1 1 75 75 PRO HB2 H 1 1.050 0.008 . . . . . . 75 PRO HB2 . 7395 1 804 . 1 1 75 75 PRO HB3 H 1 1.659 0.010 . . . . . . 75 PRO HB3 . 7395 1 805 . 1 1 75 75 PRO HD2 H 1 3.418 0.003 . . . . . . 75 PRO HD2 . 7395 1 806 . 1 1 75 75 PRO HD3 H 1 3.848 0.007 . . . . . . 75 PRO HD3 . 7395 1 807 . 1 1 75 75 PRO HG2 H 1 1.445 0.011 . . . . . . 75 PRO HG2 . 7395 1 808 . 1 1 75 75 PRO HG3 H 1 1.464 0.007 . . . . . . 75 PRO HG3 . 7395 1 809 . 1 1 75 75 PRO CA C 13 63.343 0.143 . . . . . . 75 PRO CA . 7395 1 810 . 1 1 75 75 PRO CB C 13 32.994 0.089 . . . . . . 75 PRO CB . 7395 1 811 . 1 1 75 75 PRO CD C 13 49.219 0.101 . . . . . . 75 PRO CD . 7395 1 812 . 1 1 75 75 PRO CG C 13 24.954 0.079 . . . . . . 75 PRO CG . 7395 1 813 . 1 1 76 76 TYR H H 1 9.316 0.009 . . . . . . 76 TYR HN . 7395 1 814 . 1 1 76 76 TYR HA H 1 4.269 0.008 . . . . . . 76 TYR HA . 7395 1 815 . 1 1 76 76 TYR HB2 H 1 3.261 0.010 . . . . . . 76 TYR HB2 . 7395 1 816 . 1 1 76 76 TYR HB3 H 1 3.396 0.008 . . . . . . 76 TYR HB3 . 7395 1 817 . 1 1 76 76 TYR HD1 H 1 7.083 0.007 . . . . . . 76 TYR QD . 7395 1 818 . 1 1 76 76 TYR HD2 H 1 7.083 0.007 . . . . . . 76 TYR QD . 7395 1 819 . 1 1 76 76 TYR HE1 H 1 6.794 0.004 . . . . . . 76 TYR QE . 7395 1 820 . 1 1 76 76 TYR HE2 H 1 6.794 0.004 . . . . . . 76 TYR QE . 7395 1 821 . 1 1 76 76 TYR CA C 13 62.319 0.076 . . . . . . 76 TYR CA . 7395 1 822 . 1 1 76 76 TYR CB C 13 38.103 0.137 . . . . . . 76 TYR CB . 7395 1 823 . 1 1 76 76 TYR CD1 C 13 132.987 0.036 . . . . . . 76 TYR CD1 . 7395 1 824 . 1 1 76 76 TYR CE1 C 13 118.200 0.137 . . . . . . 76 TYR CE1 . 7395 1 825 . 1 1 76 76 TYR N N 15 128.860 0.024 . . . . . . 76 TYR N . 7395 1 826 . 1 1 77 77 THR H H 1 7.231 0.007 . . . . . . 77 THR HN . 7395 1 827 . 1 1 77 77 THR HA H 1 4.289 0.008 . . . . . . 77 THR HA . 7395 1 828 . 1 1 77 77 THR HB H 1 4.239 0.011 . . . . . . 77 THR HB . 7395 1 829 . 1 1 77 77 THR HG21 H 1 1.114 0.006 . . . . . . 77 THR QG2 . 7395 1 830 . 1 1 77 77 THR HG22 H 1 1.114 0.006 . . . . . . 77 THR QG2 . 7395 1 831 . 1 1 77 77 THR HG23 H 1 1.114 0.006 . . . . . . 77 THR QG2 . 7395 1 832 . 1 1 77 77 THR CA C 13 59.354 0.024 . . . . . . 77 THR CA . 7395 1 833 . 1 1 77 77 THR CB C 13 70.168 0.021 . . . . . . 77 THR CB . 7395 1 834 . 1 1 77 77 THR CG2 C 13 22.343 0.034 . . . . . . 77 THR CG2 . 7395 1 835 . 1 1 77 77 THR N N 15 107.988 0.016 . . . . . . 77 THR N . 7395 1 836 . 1 1 78 78 ALA H H 1 7.853 0.010 . . . . . . 78 ALA HN . 7395 1 837 . 1 1 78 78 ALA HA H 1 3.628 0.008 . . . . . . 78 ALA HA . 7395 1 838 . 1 1 78 78 ALA HB1 H 1 0.894 0.006 . . . . . . 78 ALA QB . 7395 1 839 . 1 1 78 78 ALA HB2 H 1 0.894 0.006 . . . . . . 78 ALA QB . 7395 1 840 . 1 1 78 78 ALA HB3 H 1 0.894 0.006 . . . . . . 78 ALA QB . 7395 1 841 . 1 1 78 78 ALA CA C 13 50.512 0.063 . . . . . . 78 ALA CA . 7395 1 842 . 1 1 78 78 ALA CB C 13 16.794 0.081 . . . . . . 78 ALA CB . 7395 1 843 . 1 1 78 78 ALA N N 15 121.512 0.036 . . . . . . 78 ALA N . 7395 1 844 . 1 1 79 79 PRO HA H 1 4.687 0.005 . . . . . . 79 PRO HA . 7395 1 845 . 1 1 79 79 PRO HB2 H 1 1.682 0.011 . . . . . . 79 PRO QB . 7395 1 846 . 1 1 79 79 PRO HB3 H 1 1.682 0.011 . . . . . . 79 PRO QB . 7395 1 847 . 1 1 79 79 PRO HD2 H 1 3.735 0.003 . . . . . . 79 PRO HD2 . 7395 1 848 . 1 1 79 79 PRO HD3 H 1 3.846 0.002 . . . . . . 79 PRO HD3 . 7395 1 849 . 1 1 79 79 PRO HG2 H 1 1.865 0.001 . . . . . . 79 PRO HG2 . 7395 1 850 . 1 1 79 79 PRO HG3 H 1 1.947 0.008 . . . . . . 79 PRO HG3 . 7395 1 851 . 1 1 79 79 PRO CA C 13 62.736 0.077 . . . . . . 79 PRO CA . 7395 1 852 . 1 1 79 79 PRO CB C 13 30.981 0.000 . . . . . . 79 PRO CB . 7395 1 853 . 1 1 79 79 PRO CD C 13 48.837 0.102 . . . . . . 79 PRO CD . 7395 1 854 . 1 1 79 79 PRO CG C 13 25.681 0.132 . . . . . . 79 PRO CG . 7395 1 855 . 1 1 80 80 GLU H H 1 8.677 0.008 . . . . . . 80 GLU HN . 7395 1 856 . 1 1 80 80 GLU HA H 1 4.408 0.006 . . . . . . 80 GLU HA . 7395 1 857 . 1 1 80 80 GLU HB2 H 1 1.989 0.009 . . . . . . 80 GLU QB . 7395 1 858 . 1 1 80 80 GLU HB3 H 1 1.989 0.009 . . . . . . 80 GLU QB . 7395 1 859 . 1 1 80 80 GLU HG2 H 1 2.086 0.007 . . . . . . 80 GLU HG2 . 7395 1 860 . 1 1 80 80 GLU HG3 H 1 2.181 0.005 . . . . . . 80 GLU HG3 . 7395 1 861 . 1 1 80 80 GLU CA C 13 56.128 0.098 . . . . . . 80 GLU CA . 7395 1 862 . 1 1 80 80 GLU CB C 13 30.471 0.032 . . . . . . 80 GLU CB . 7395 1 863 . 1 1 80 80 GLU CG C 13 35.942 0.087 . . . . . . 80 GLU CG . 7395 1 864 . 1 1 80 80 GLU N N 15 120.455 0.011 . . . . . . 80 GLU N . 7395 1 865 . 1 1 81 81 ILE H H 1 8.294 0.005 . . . . . . 81 ILE HN . 7395 1 866 . 1 1 81 81 ILE HA H 1 4.659 0.008 . . . . . . 81 ILE HA . 7395 1 867 . 1 1 81 81 ILE HB H 1 1.328 0.007 . . . . . . 81 ILE HB . 7395 1 868 . 1 1 81 81 ILE HD11 H 1 0.579 0.007 . . . . . . 81 ILE QD1 . 7395 1 869 . 1 1 81 81 ILE HD12 H 1 0.579 0.007 . . . . . . 81 ILE QD1 . 7395 1 870 . 1 1 81 81 ILE HD13 H 1 0.579 0.007 . . . . . . 81 ILE QD1 . 7395 1 871 . 1 1 81 81 ILE HG12 H 1 0.401 0.008 . . . . . . 81 ILE HG12 . 7395 1 872 . 1 1 81 81 ILE HG13 H 1 1.235 0.006 . . . . . . 81 ILE HG13 . 7395 1 873 . 1 1 81 81 ILE HG21 H 1 0.015 0.006 . . . . . . 81 ILE QG2 . 7395 1 874 . 1 1 81 81 ILE HG22 H 1 0.015 0.006 . . . . . . 81 ILE QG2 . 7395 1 875 . 1 1 81 81 ILE HG23 H 1 0.015 0.006 . . . . . . 81 ILE QG2 . 7395 1 876 . 1 1 81 81 ILE CA C 13 60.498 0.047 . . . . . . 81 ILE CA . 7395 1 877 . 1 1 81 81 ILE CB C 13 40.984 0.097 . . . . . . 81 ILE CB . 7395 1 878 . 1 1 81 81 ILE CD1 C 13 15.323 0.155 . . . . . . 81 ILE CD1 . 7395 1 879 . 1 1 81 81 ILE CG1 C 13 27.317 0.116 . . . . . . 81 ILE CG1 . 7395 1 880 . 1 1 81 81 ILE CG2 C 13 16.901 0.031 . . . . . . 81 ILE CG2 . 7395 1 881 . 1 1 81 81 ILE N N 15 124.147 0.040 . . . . . . 81 ILE N . 7395 1 882 . 1 1 82 82 GLU H H 1 8.880 0.008 . . . . . . 82 GLU HN . 7395 1 883 . 1 1 82 82 GLU HA H 1 4.364 0.010 . . . . . . 82 GLU HA . 7395 1 884 . 1 1 82 82 GLU HB2 H 1 1.823 0.008 . . . . . . 82 GLU QB . 7395 1 885 . 1 1 82 82 GLU HB3 H 1 1.823 0.008 . . . . . . 82 GLU QB . 7395 1 886 . 1 1 82 82 GLU HG2 H 1 2.041 0.009 . . . . . . 82 GLU HG2 . 7395 1 887 . 1 1 82 82 GLU HG3 H 1 2.089 0.007 . . . . . . 82 GLU HG3 . 7395 1 888 . 1 1 82 82 GLU CA C 13 53.290 0.056 . . . . . . 82 GLU CA . 7395 1 889 . 1 1 82 82 GLU CB C 13 33.688 0.105 . . . . . . 82 GLU CB . 7395 1 890 . 1 1 82 82 GLU CG C 13 35.744 0.128 . . . . . . 82 GLU CG . 7395 1 891 . 1 1 82 82 GLU N N 15 126.105 0.019 . . . . . . 82 GLU N . 7395 1 892 . 1 1 83 83 PHE H H 1 8.679 0.008 . . . . . . 83 PHE HN . 7395 1 893 . 1 1 83 83 PHE HA H 1 5.109 0.010 . . . . . . 83 PHE HA . 7395 1 894 . 1 1 83 83 PHE HB2 H 1 2.755 0.006 . . . . . . 83 PHE HB2 . 7395 1 895 . 1 1 83 83 PHE HB3 H 1 2.965 0.011 . . . . . . 83 PHE HB3 . 7395 1 896 . 1 1 83 83 PHE HD1 H 1 7.225 0.010 . . . . . . 83 PHE QD . 7395 1 897 . 1 1 83 83 PHE HD2 H 1 7.225 0.010 . . . . . . 83 PHE QD . 7395 1 898 . 1 1 83 83 PHE HE1 H 1 7.220 0.010 . . . . . . 83 PHE QE . 7395 1 899 . 1 1 83 83 PHE HE2 H 1 7.220 0.010 . . . . . . 83 PHE QE . 7395 1 900 . 1 1 83 83 PHE CA C 13 55.762 0.049 . . . . . . 83 PHE CA . 7395 1 901 . 1 1 83 83 PHE CB C 13 40.013 0.058 . . . . . . 83 PHE CB . 7395 1 902 . 1 1 83 83 PHE CD1 C 13 132.130 0.098 . . . . . . 83 PHE CD1 . 7395 1 903 . 1 1 83 83 PHE CE1 C 13 130.564 0.093 . . . . . . 83 PHE CE1 . 7395 1 904 . 1 1 83 83 PHE N N 15 120.459 0.024 . . . . . . 83 PHE N . 7395 1 905 . 1 1 84 84 LYS H H 1 9.190 0.010 . . . . . . 84 LYS HN . 7395 1 906 . 1 1 84 84 LYS HA H 1 4.661 0.007 . . . . . . 84 LYS HA . 7395 1 907 . 1 1 84 84 LYS HB2 H 1 1.425 0.007 . . . . . . 84 LYS HB2 . 7395 1 908 . 1 1 84 84 LYS HB3 H 1 1.694 0.007 . . . . . . 84 LYS HB3 . 7395 1 909 . 1 1 84 84 LYS HD2 H 1 1.443 0.008 . . . . . . 84 LYS HD2 . 7395 1 910 . 1 1 84 84 LYS HD3 H 1 1.478 0.002 . . . . . . 84 LYS HD3 . 7395 1 911 . 1 1 84 84 LYS HE2 H 1 2.602 0.008 . . . . . . 84 LYS HE2 . 7395 1 912 . 1 1 84 84 LYS HE3 H 1 2.638 0.009 . . . . . . 84 LYS HE3 . 7395 1 913 . 1 1 84 84 LYS HG3 H 1 1.186 0.007 . . . . . . 84 LYS HG3 . 7395 1 914 . 1 1 84 84 LYS CA C 13 54.218 0.054 . . . . . . 84 LYS CA . 7395 1 915 . 1 1 84 84 LYS CB C 13 35.729 0.086 . . . . . . 84 LYS CB . 7395 1 916 . 1 1 84 84 LYS CD C 13 29.101 0.087 . . . . . . 84 LYS CD . 7395 1 917 . 1 1 84 84 LYS CE C 13 41.576 0.123 . . . . . . 84 LYS CE . 7395 1 918 . 1 1 84 84 LYS CG C 13 24.575 0.056 . . . . . . 84 LYS CG . 7395 1 919 . 1 1 84 84 LYS N N 15 121.683 0.039 . . . . . . 84 LYS N . 7395 1 920 . 1 1 85 85 ASN H H 1 8.883 0.005 . . . . . . 85 ASN HN . 7395 1 921 . 1 1 85 85 ASN HA H 1 4.284 0.008 . . . . . . 85 ASN HA . 7395 1 922 . 1 1 85 85 ASN HB2 H 1 2.791 0.009 . . . . . . 85 ASN QB . 7395 1 923 . 1 1 85 85 ASN HB3 H 1 2.791 0.009 . . . . . . 85 ASN QB . 7395 1 924 . 1 1 85 85 ASN HD21 H 1 6.971 0.012 . . . . . . 85 ASN HD21 . 7395 1 925 . 1 1 85 85 ASN HD22 H 1 7.462 0.010 . . . . . . 85 ASN HD22 . 7395 1 926 . 1 1 85 85 ASN CA C 13 53.306 0.028 . . . . . . 85 ASN CA . 7395 1 927 . 1 1 85 85 ASN CB C 13 37.352 0.062 . . . . . . 85 ASN CB . 7395 1 928 . 1 1 85 85 ASN N N 15 117.677 0.019 . . . . . . 85 ASN N . 7395 1 929 . 1 1 85 85 ASN ND2 N 15 112.784 0.040 . . . . . . 85 ASN ND2 . 7395 1 930 . 1 1 86 86 VAL H H 1 8.299 0.003 . . . . . . 86 VAL HN . 7395 1 931 . 1 1 86 86 VAL HA H 1 3.909 0.009 . . . . . . 86 VAL HA . 7395 1 932 . 1 1 86 86 VAL HB H 1 2.021 0.008 . . . . . . 86 VAL HB . 7395 1 933 . 1 1 86 86 VAL HG11 H 1 0.883 0.010 . . . . . . 86 VAL QG1 . 7395 1 934 . 1 1 86 86 VAL HG12 H 1 0.883 0.010 . . . . . . 86 VAL QG1 . 7395 1 935 . 1 1 86 86 VAL HG13 H 1 0.883 0.010 . . . . . . 86 VAL QG1 . 7395 1 936 . 1 1 86 86 VAL HG21 H 1 0.848 0.010 . . . . . . 86 VAL QG2 . 7395 1 937 . 1 1 86 86 VAL HG22 H 1 0.848 0.010 . . . . . . 86 VAL QG2 . 7395 1 938 . 1 1 86 86 VAL HG23 H 1 0.848 0.010 . . . . . . 86 VAL QG2 . 7395 1 939 . 1 1 86 86 VAL CA C 13 64.352 0.069 . . . . . . 86 VAL CA . 7395 1 940 . 1 1 86 86 VAL CB C 13 31.554 0.186 . . . . . . 86 VAL CB . 7395 1 941 . 1 1 86 86 VAL CG1 C 13 23.173 0.142 . . . . . . 86 VAL CG1 . 7395 1 942 . 1 1 86 86 VAL CG2 C 13 22.144 0.108 . . . . . . 86 VAL CG2 . 7395 1 943 . 1 1 86 86 VAL N N 15 118.562 0.049 . . . . . . 86 VAL N . 7395 1 944 . 1 1 87 87 GLN H H 1 9.035 0.008 . . . . . . 87 GLN HN . 7395 1 945 . 1 1 87 87 GLN HA H 1 4.731 0.006 . . . . . . 87 GLN HA . 7395 1 946 . 1 1 87 87 GLN HB2 H 1 1.984 0.006 . . . . . . 87 GLN HB2 . 7395 1 947 . 1 1 87 87 GLN HB3 H 1 2.067 0.008 . . . . . . 87 GLN HB3 . 7395 1 948 . 1 1 87 87 GLN HE21 H 1 6.848 0.004 . . . . . . 87 GLN HE21 . 7395 1 949 . 1 1 87 87 GLN HE22 H 1 7.205 0.011 . . . . . . 87 GLN HE22 . 7395 1 950 . 1 1 87 87 GLN HG2 H 1 2.220 0.009 . . . . . . 87 GLN HG2 . 7395 1 951 . 1 1 87 87 GLN HG3 H 1 2.270 0.005 . . . . . . 87 GLN HG3 . 7395 1 952 . 1 1 87 87 GLN CA C 13 54.460 0.000 . . . . . . 87 GLN CA . 7395 1 953 . 1 1 87 87 GLN CB C 13 31.355 0.052 . . . . . . 87 GLN CB . 7395 1 954 . 1 1 87 87 GLN CG C 13 33.419 0.090 . . . . . . 87 GLN CG . 7395 1 955 . 1 1 87 87 GLN N N 15 127.297 0.018 . . . . . . 87 GLN N . 7395 1 956 . 1 1 87 87 GLN NE2 N 15 111.427 0.006 . . . . . . 87 GLN NE2 . 7395 1 957 . 1 1 88 88 ASN H H 1 9.141 0.004 . . . . . . 88 ASN HN . 7395 1 958 . 1 1 88 88 ASN HA H 1 4.188 0.005 . . . . . . 88 ASN HA . 7395 1 959 . 1 1 88 88 ASN HB2 H 1 2.642 0.008 . . . . . . 88 ASN HB2 . 7395 1 960 . 1 1 88 88 ASN HB3 H 1 3.029 0.006 . . . . . . 88 ASN HB3 . 7395 1 961 . 1 1 88 88 ASN CA C 13 54.905 0.035 . . . . . . 88 ASN CA . 7395 1 962 . 1 1 88 88 ASN CB C 13 37.437 0.074 . . . . . . 88 ASN CB . 7395 1 963 . 1 1 88 88 ASN N N 15 119.252 0.023 . . . . . . 88 ASN N . 7395 1 964 . 1 1 89 89 VAL H H 1 7.077 0.007 . . . . . . 89 VAL HN . 7395 1 965 . 1 1 89 89 VAL HA H 1 3.982 0.007 . . . . . . 89 VAL HA . 7395 1 966 . 1 1 89 89 VAL HB H 1 1.526 0.005 . . . . . . 89 VAL HB . 7395 1 967 . 1 1 89 89 VAL HG11 H 1 0.841 0.007 . . . . . . 89 VAL QG1 . 7395 1 968 . 1 1 89 89 VAL HG12 H 1 0.841 0.007 . . . . . . 89 VAL QG1 . 7395 1 969 . 1 1 89 89 VAL HG13 H 1 0.841 0.007 . . . . . . 89 VAL QG1 . 7395 1 970 . 1 1 89 89 VAL HG21 H 1 0.693 0.006 . . . . . . 89 VAL QG2 . 7395 1 971 . 1 1 89 89 VAL HG22 H 1 0.693 0.006 . . . . . . 89 VAL QG2 . 7395 1 972 . 1 1 89 89 VAL HG23 H 1 0.693 0.006 . . . . . . 89 VAL QG2 . 7395 1 973 . 1 1 89 89 VAL CA C 13 62.518 0.051 . . . . . . 89 VAL CA . 7395 1 974 . 1 1 89 89 VAL CB C 13 35.447 0.100 . . . . . . 89 VAL CB . 7395 1 975 . 1 1 89 89 VAL CG1 C 13 21.996 0.096 . . . . . . 89 VAL CG1 . 7395 1 976 . 1 1 89 89 VAL CG2 C 13 22.492 0.043 . . . . . . 89 VAL CG2 . 7395 1 977 . 1 1 89 89 VAL N N 15 116.219 0.022 . . . . . . 89 VAL N . 7395 1 978 . 1 1 90 90 MET H H 1 8.511 0.006 . . . . . . 90 MET HN . 7395 1 979 . 1 1 90 90 MET HA H 1 4.352 0.009 . . . . . . 90 MET HA . 7395 1 980 . 1 1 90 90 MET HB2 H 1 1.547 0.006 . . . . . . 90 MET HB2 . 7395 1 981 . 1 1 90 90 MET HB3 H 1 2.206 0.010 . . . . . . 90 MET HB3 . 7395 1 982 . 1 1 90 90 MET HE1 H 1 1.963 0.004 . . . . . . 90 MET QE . 7395 1 983 . 1 1 90 90 MET HE2 H 1 1.963 0.004 . . . . . . 90 MET QE . 7395 1 984 . 1 1 90 90 MET HE3 H 1 1.963 0.004 . . . . . . 90 MET QE . 7395 1 985 . 1 1 90 90 MET HG2 H 1 2.412 0.007 . . . . . . 90 MET HG2 . 7395 1 986 . 1 1 90 90 MET HG3 H 1 2.459 0.003 . . . . . . 90 MET HG3 . 7395 1 987 . 1 1 90 90 MET CA C 13 55.428 0.084 . . . . . . 90 MET CA . 7395 1 988 . 1 1 90 90 MET CB C 13 34.319 0.096 . . . . . . 90 MET CB . 7395 1 989 . 1 1 90 90 MET CE C 13 16.873 0.008 . . . . . . 90 MET CE . 7395 1 990 . 1 1 90 90 MET CG C 13 31.976 0.067 . . . . . . 90 MET CG . 7395 1 991 . 1 1 90 90 MET N N 15 124.047 0.091 . . . . . . 90 MET N . 7395 1 992 . 1 1 91 91 ASP H H 1 9.088 0.003 . . . . . . 91 ASP HN . 7395 1 993 . 1 1 91 91 ASP HA H 1 4.208 0.007 . . . . . . 91 ASP HA . 7395 1 994 . 1 1 91 91 ASP HB2 H 1 2.616 0.005 . . . . . . 91 ASP HB2 . 7395 1 995 . 1 1 91 91 ASP HB3 H 1 2.656 0.007 . . . . . . 91 ASP HB3 . 7395 1 996 . 1 1 91 91 ASP CA C 13 58.550 0.064 . . . . . . 91 ASP CA . 7395 1 997 . 1 1 91 91 ASP CB C 13 40.154 0.070 . . . . . . 91 ASP CB . 7395 1 998 . 1 1 91 91 ASP N N 15 123.856 0.031 . . . . . . 91 ASP N . 7395 1 999 . 1 1 92 92 SER H H 1 8.671 0.009 . . . . . . 92 SER HN . 7395 1 1000 . 1 1 92 92 SER HA H 1 4.023 0.008 . . . . . . 92 SER HA . 7395 1 1001 . 1 1 92 92 SER CA C 13 60.523 0.106 . . . . . . 92 SER CA . 7395 1 1002 . 1 1 92 92 SER N N 15 113.242 0.020 . . . . . . 92 SER N . 7395 1 1003 . 1 1 93 93 GLN H H 1 6.689 0.009 . . . . . . 93 GLN HN . 7395 1 1004 . 1 1 93 93 GLN HA H 1 3.863 0.007 . . . . . . 93 GLN HA . 7395 1 1005 . 1 1 93 93 GLN HE21 H 1 6.416 0.007 . . . . . . 93 GLN HE21 . 7395 1 1006 . 1 1 93 93 GLN HE22 H 1 7.444 0.007 . . . . . . 93 GLN HE22 . 7395 1 1007 . 1 1 93 93 GLN HG2 H 1 1.711 0.007 . . . . . . 93 GLN HG2 . 7395 1 1008 . 1 1 93 93 GLN HG3 H 1 1.882 0.004 . . . . . . 93 GLN HG3 . 7395 1 1009 . 1 1 93 93 GLN CA C 13 58.046 0.050 . . . . . . 93 GLN CA . 7395 1 1010 . 1 1 93 93 GLN CG C 13 33.709 0.104 . . . . . . 93 GLN CG . 7395 1 1011 . 1 1 93 93 GLN N N 15 123.955 0.038 . . . . . . 93 GLN N . 7395 1 1012 . 1 1 93 93 GLN NE2 N 15 110.398 0.032 . . . . . . 93 GLN NE2 . 7395 1 1013 . 1 1 94 94 LEU H H 1 7.586 0.006 . . . . . . 94 LEU HN . 7395 1 1014 . 1 1 94 94 LEU HA H 1 3.589 0.008 . . . . . . 94 LEU HA . 7395 1 1015 . 1 1 94 94 LEU HB2 H 1 1.183 0.009 . . . . . . 94 LEU HB2 . 7395 1 1016 . 1 1 94 94 LEU HB3 H 1 1.917 0.009 . . . . . . 94 LEU HB3 . 7395 1 1017 . 1 1 94 94 LEU HD11 H 1 -0.028 0.005 . . . . . . 94 LEU QD1 . 7395 1 1018 . 1 1 94 94 LEU HD12 H 1 -0.028 0.005 . . . . . . 94 LEU QD1 . 7395 1 1019 . 1 1 94 94 LEU HD13 H 1 -0.028 0.005 . . . . . . 94 LEU QD1 . 7395 1 1020 . 1 1 94 94 LEU HD21 H 1 0.741 0.005 . . . . . . 94 LEU QD2 . 7395 1 1021 . 1 1 94 94 LEU HD22 H 1 0.741 0.005 . . . . . . 94 LEU QD2 . 7395 1 1022 . 1 1 94 94 LEU HD23 H 1 0.741 0.005 . . . . . . 94 LEU QD2 . 7395 1 1023 . 1 1 94 94 LEU CA C 13 57.773 0.099 . . . . . . 94 LEU CA . 7395 1 1024 . 1 1 94 94 LEU CB C 13 40.072 0.044 . . . . . . 94 LEU CB . 7395 1 1025 . 1 1 94 94 LEU CD1 C 13 21.768 0.029 . . . . . . 94 LEU CD1 . 7395 1 1026 . 1 1 94 94 LEU CD2 C 13 25.621 0.046 . . . . . . 94 LEU CD2 . 7395 1 1027 . 1 1 94 94 LEU N N 15 118.993 0.015 . . . . . . 94 LEU N . 7395 1 1028 . 1 1 95 95 GLN H H 1 7.929 0.006 . . . . . . 95 GLN HN . 7395 1 1029 . 1 1 95 95 GLN HA H 1 3.955 0.008 . . . . . . 95 GLN HA . 7395 1 1030 . 1 1 95 95 GLN HB2 H 1 2.036 0.011 . . . . . . 95 GLN HB2 . 7395 1 1031 . 1 1 95 95 GLN HB3 H 1 2.076 0.010 . . . . . . 95 GLN HB3 . 7395 1 1032 . 1 1 95 95 GLN HE21 H 1 6.825 0.007 . . . . . . 95 GLN HE21 . 7395 1 1033 . 1 1 95 95 GLN HE22 H 1 7.463 0.006 . . . . . . 95 GLN HE22 . 7395 1 1034 . 1 1 95 95 GLN HG2 H 1 2.431 0.003 . . . . . . 95 GLN QG . 7395 1 1035 . 1 1 95 95 GLN HG3 H 1 2.431 0.003 . . . . . . 95 GLN QG . 7395 1 1036 . 1 1 95 95 GLN CA C 13 58.639 0.063 . . . . . . 95 GLN CA . 7395 1 1037 . 1 1 95 95 GLN CB C 13 27.731 0.103 . . . . . . 95 GLN CB . 7395 1 1038 . 1 1 95 95 GLN CG C 13 33.457 0.080 . . . . . . 95 GLN CG . 7395 1 1039 . 1 1 95 95 GLN N N 15 116.279 0.037 . . . . . . 95 GLN N . 7395 1 1040 . 1 1 95 95 GLN NE2 N 15 111.917 0.070 . . . . . . 95 GLN NE2 . 7395 1 1041 . 1 1 96 96 MET H H 1 7.374 0.010 . . . . . . 96 MET HN . 7395 1 1042 . 1 1 96 96 MET HA H 1 4.159 0.007 . . . . . . 96 MET HA . 7395 1 1043 . 1 1 96 96 MET HB2 H 1 2.341 0.007 . . . . . . 96 MET HB2 . 7395 1 1044 . 1 1 96 96 MET HB3 H 1 2.399 0.006 . . . . . . 96 MET HB3 . 7395 1 1045 . 1 1 96 96 MET HE1 H 1 2.261 0.003 . . . . . . 96 MET QE . 7395 1 1046 . 1 1 96 96 MET HE2 H 1 2.261 0.003 . . . . . . 96 MET QE . 7395 1 1047 . 1 1 96 96 MET HE3 H 1 2.261 0.003 . . . . . . 96 MET QE . 7395 1 1048 . 1 1 96 96 MET HG2 H 1 2.659 0.007 . . . . . . 96 MET HG2 . 7395 1 1049 . 1 1 96 96 MET HG3 H 1 2.956 0.005 . . . . . . 96 MET HG3 . 7395 1 1050 . 1 1 96 96 MET CA C 13 59.046 0.057 . . . . . . 96 MET CA . 7395 1 1051 . 1 1 96 96 MET CB C 13 31.092 0.040 . . . . . . 96 MET CB . 7395 1 1052 . 1 1 96 96 MET CE C 13 17.031 0.015 . . . . . . 96 MET CE . 7395 1 1053 . 1 1 96 96 MET CG C 13 31.727 0.042 . . . . . . 96 MET CG . 7395 1 1054 . 1 1 96 96 MET N N 15 120.626 0.033 . . . . . . 96 MET N . 7395 1 1055 . 1 1 97 97 LEU H H 1 7.875 0.009 . . . . . . 97 LEU HN . 7395 1 1056 . 1 1 97 97 LEU HA H 1 3.741 0.009 . . . . . . 97 LEU HA . 7395 1 1057 . 1 1 97 97 LEU HB2 H 1 1.109 0.009 . . . . . . 97 LEU HB2 . 7395 1 1058 . 1 1 97 97 LEU HB3 H 1 2.104 0.010 . . . . . . 97 LEU HB3 . 7395 1 1059 . 1 1 97 97 LEU HD11 H 1 1.014 0.007 . . . . . . 97 LEU QD1 . 7395 1 1060 . 1 1 97 97 LEU HD12 H 1 1.014 0.007 . . . . . . 97 LEU QD1 . 7395 1 1061 . 1 1 97 97 LEU HD13 H 1 1.014 0.007 . . . . . . 97 LEU QD1 . 7395 1 1062 . 1 1 97 97 LEU HD21 H 1 0.873 0.009 . . . . . . 97 LEU QD2 . 7395 1 1063 . 1 1 97 97 LEU HD22 H 1 0.873 0.009 . . . . . . 97 LEU QD2 . 7395 1 1064 . 1 1 97 97 LEU HD23 H 1 0.873 0.009 . . . . . . 97 LEU QD2 . 7395 1 1065 . 1 1 97 97 LEU HG H 1 2.059 0.009 . . . . . . 97 LEU HG . 7395 1 1066 . 1 1 97 97 LEU CA C 13 58.256 0.109 . . . . . . 97 LEU CA . 7395 1 1067 . 1 1 97 97 LEU CB C 13 41.719 0.030 . . . . . . 97 LEU CB . 7395 1 1068 . 1 1 97 97 LEU CD1 C 13 23.226 0.045 . . . . . . 97 LEU CD1 . 7395 1 1069 . 1 1 97 97 LEU CD2 C 13 26.708 0.036 . . . . . . 97 LEU CD2 . 7395 1 1070 . 1 1 97 97 LEU CG C 13 26.791 0.012 . . . . . . 97 LEU CG . 7395 1 1071 . 1 1 97 97 LEU N N 15 119.806 0.031 . . . . . . 97 LEU N . 7395 1 1072 . 1 1 98 98 LYS H H 1 7.865 0.011 . . . . . . 98 LYS HN . 7395 1 1073 . 1 1 98 98 LYS HA H 1 3.527 0.007 . . . . . . 98 LYS HA . 7395 1 1074 . 1 1 98 98 LYS HB2 H 1 1.876 0.009 . . . . . . 98 LYS HB2 . 7395 1 1075 . 1 1 98 98 LYS HB3 H 1 1.906 0.010 . . . . . . 98 LYS HB3 . 7395 1 1076 . 1 1 98 98 LYS HD2 H 1 1.682 0.008 . . . . . . 98 LYS QD . 7395 1 1077 . 1 1 98 98 LYS HD3 H 1 1.682 0.008 . . . . . . 98 LYS QD . 7395 1 1078 . 1 1 98 98 LYS HE2 H 1 2.822 0.005 . . . . . . 98 LYS QE . 7395 1 1079 . 1 1 98 98 LYS HE3 H 1 2.822 0.005 . . . . . . 98 LYS QE . 7395 1 1080 . 1 1 98 98 LYS HG2 H 1 1.447 0.008 . . . . . . 98 LYS HG2 . 7395 1 1081 . 1 1 98 98 LYS HG3 H 1 1.675 0.005 . . . . . . 98 LYS HG3 . 7395 1 1082 . 1 1 98 98 LYS CA C 13 60.100 0.114 . . . . . . 98 LYS CA . 7395 1 1083 . 1 1 98 98 LYS CB C 13 32.525 0.042 . . . . . . 98 LYS CB . 7395 1 1084 . 1 1 98 98 LYS CD C 13 29.343 0.108 . . . . . . 98 LYS CD . 7395 1 1085 . 1 1 98 98 LYS CE C 13 41.804 0.045 . . . . . . 98 LYS CE . 7395 1 1086 . 1 1 98 98 LYS CG C 13 25.646 0.078 . . . . . . 98 LYS CG . 7395 1 1087 . 1 1 98 98 LYS N N 15 115.079 0.016 . . . . . . 98 LYS N . 7395 1 1088 . 1 1 99 99 SER H H 1 7.873 0.006 . . . . . . 99 SER HN . 7395 1 1089 . 1 1 99 99 SER HA H 1 4.217 0.005 . . . . . . 99 SER HA . 7395 1 1090 . 1 1 99 99 SER HB2 H 1 4.033 0.007 . . . . . . 99 SER QB . 7395 1 1091 . 1 1 99 99 SER HB3 H 1 4.033 0.007 . . . . . . 99 SER QB . 7395 1 1092 . 1 1 99 99 SER CA C 13 61.575 0.083 . . . . . . 99 SER CA . 7395 1 1093 . 1 1 99 99 SER CB C 13 62.756 0.077 . . . . . . 99 SER CB . 7395 1 1094 . 1 1 99 99 SER N N 15 113.933 0.020 . . . . . . 99 SER N . 7395 1 1095 . 1 1 100 100 GLU H H 1 8.135 0.008 . . . . . . 100 GLU HN . 7395 1 1096 . 1 1 100 100 GLU HA H 1 4.046 0.005 . . . . . . 100 GLU HA . 7395 1 1097 . 1 1 100 100 GLU HB2 H 1 1.677 0.005 . . . . . . 100 GLU HB2 . 7395 1 1098 . 1 1 100 100 GLU HB3 H 1 1.943 0.007 . . . . . . 100 GLU HB3 . 7395 1 1099 . 1 1 100 100 GLU HG2 H 1 1.765 0.008 . . . . . . 100 GLU HG2 . 7395 1 1100 . 1 1 100 100 GLU HG3 H 1 2.196 0.007 . . . . . . 100 GLU HG3 . 7395 1 1101 . 1 1 100 100 GLU CA C 13 58.647 0.022 . . . . . . 100 GLU CA . 7395 1 1102 . 1 1 100 100 GLU CB C 13 29.226 0.112 . . . . . . 100 GLU CB . 7395 1 1103 . 1 1 100 100 GLU CG C 13 34.851 0.118 . . . . . . 100 GLU CG . 7395 1 1104 . 1 1 100 100 GLU N N 15 123.643 0.011 . . . . . . 100 GLU N . 7395 1 1105 . 1 1 101 101 PHE H H 1 8.888 0.009 . . . . . . 101 PHE HN . 7395 1 1106 . 1 1 101 101 PHE HA H 1 4.455 0.007 . . . . . . 101 PHE HA . 7395 1 1107 . 1 1 101 101 PHE HB2 H 1 3.201 0.009 . . . . . . 101 PHE HB2 . 7395 1 1108 . 1 1 101 101 PHE HB3 H 1 3.430 0.011 . . . . . . 101 PHE HB3 . 7395 1 1109 . 1 1 101 101 PHE HD1 H 1 7.024 0.011 . . . . . . 101 PHE QD . 7395 1 1110 . 1 1 101 101 PHE HD2 H 1 7.024 0.011 . . . . . . 101 PHE QD . 7395 1 1111 . 1 1 101 101 PHE HE1 H 1 7.037 0.000 . . . . . . 101 PHE QE . 7395 1 1112 . 1 1 101 101 PHE HE2 H 1 7.037 0.000 . . . . . . 101 PHE QE . 7395 1 1113 . 1 1 101 101 PHE CA C 13 57.380 0.041 . . . . . . 101 PHE CA . 7395 1 1114 . 1 1 101 101 PHE CB C 13 36.239 0.087 . . . . . . 101 PHE CB . 7395 1 1115 . 1 1 101 101 PHE CE1 C 13 130.360 0.000 . . . . . . 101 PHE CE1 . 7395 1 1116 . 1 1 101 101 PHE N N 15 119.316 0.022 . . . . . . 101 PHE N . 7395 1 1117 . 1 1 102 102 LYS H H 1 7.384 0.005 . . . . . . 102 LYS HN . 7395 1 1118 . 1 1 102 102 LYS HA H 1 4.228 0.007 . . . . . . 102 LYS HA . 7395 1 1119 . 1 1 102 102 LYS HB2 H 1 2.006 0.008 . . . . . . 102 LYS QB . 7395 1 1120 . 1 1 102 102 LYS HB3 H 1 2.006 0.008 . . . . . . 102 LYS QB . 7395 1 1121 . 1 1 102 102 LYS HE2 H 1 3.034 0.004 . . . . . . 102 LYS QE . 7395 1 1122 . 1 1 102 102 LYS HE3 H 1 3.034 0.004 . . . . . . 102 LYS QE . 7395 1 1123 . 1 1 102 102 LYS HG2 H 1 1.518 0.009 . . . . . . 102 LYS HG2 . 7395 1 1124 . 1 1 102 102 LYS HG3 H 1 1.671 0.006 . . . . . . 102 LYS HG3 . 7395 1 1125 . 1 1 102 102 LYS CA C 13 59.432 0.056 . . . . . . 102 LYS CA . 7395 1 1126 . 1 1 102 102 LYS CB C 13 32.119 0.166 . . . . . . 102 LYS CB . 7395 1 1127 . 1 1 102 102 LYS CE C 13 42.071 0.064 . . . . . . 102 LYS CE . 7395 1 1128 . 1 1 102 102 LYS CG C 13 24.855 0.065 . . . . . . 102 LYS CG . 7395 1 1129 . 1 1 102 102 LYS N N 15 119.338 0.036 . . . . . . 102 LYS N . 7395 1 1130 . 1 1 103 103 LYS H H 1 7.301 0.007 . . . . . . 103 LYS HN . 7395 1 1131 . 1 1 103 103 LYS HA H 1 4.074 0.007 . . . . . . 103 LYS HA . 7395 1 1132 . 1 1 103 103 LYS HB2 H 1 1.923 0.012 . . . . . . 103 LYS HB2 . 7395 1 1133 . 1 1 103 103 LYS HB3 H 1 1.989 0.009 . . . . . . 103 LYS HB3 . 7395 1 1134 . 1 1 103 103 LYS HE2 H 1 2.878 0.007 . . . . . . 103 LYS QE . 7395 1 1135 . 1 1 103 103 LYS HE3 H 1 2.878 0.007 . . . . . . 103 LYS QE . 7395 1 1136 . 1 1 103 103 LYS HG2 H 1 1.357 0.005 . . . . . . 103 LYS HG2 . 7395 1 1137 . 1 1 103 103 LYS HG3 H 1 1.577 0.009 . . . . . . 103 LYS HG3 . 7395 1 1138 . 1 1 103 103 LYS CA C 13 59.913 0.066 . . . . . . 103 LYS CA . 7395 1 1139 . 1 1 103 103 LYS CB C 13 32.343 0.072 . . . . . . 103 LYS CB . 7395 1 1140 . 1 1 103 103 LYS CE C 13 41.879 0.004 . . . . . . 103 LYS CE . 7395 1 1141 . 1 1 103 103 LYS CG C 13 24.930 0.059 . . . . . . 103 LYS CG . 7395 1 1142 . 1 1 103 103 LYS N N 15 120.596 0.031 . . . . . . 103 LYS N . 7395 1 1143 . 1 1 104 104 ILE H H 1 8.632 0.007 . . . . . . 104 ILE HN . 7395 1 1144 . 1 1 104 104 ILE HA H 1 3.618 0.006 . . . . . . 104 ILE HA . 7395 1 1145 . 1 1 104 104 ILE HB H 1 1.907 0.006 . . . . . . 104 ILE HB . 7395 1 1146 . 1 1 104 104 ILE HD11 H 1 0.586 0.008 . . . . . . 104 ILE QD1 . 7395 1 1147 . 1 1 104 104 ILE HD12 H 1 0.586 0.008 . . . . . . 104 ILE QD1 . 7395 1 1148 . 1 1 104 104 ILE HD13 H 1 0.586 0.008 . . . . . . 104 ILE QD1 . 7395 1 1149 . 1 1 104 104 ILE HG21 H 1 0.894 0.007 . . . . . . 104 ILE QG2 . 7395 1 1150 . 1 1 104 104 ILE HG22 H 1 0.894 0.007 . . . . . . 104 ILE QG2 . 7395 1 1151 . 1 1 104 104 ILE HG23 H 1 0.894 0.007 . . . . . . 104 ILE QG2 . 7395 1 1152 . 1 1 104 104 ILE CA C 13 65.626 0.020 . . . . . . 104 ILE CA . 7395 1 1153 . 1 1 104 104 ILE CB C 13 38.290 0.108 . . . . . . 104 ILE CB . 7395 1 1154 . 1 1 104 104 ILE CD1 C 13 13.836 0.020 . . . . . . 104 ILE CD1 . 7395 1 1155 . 1 1 104 104 ILE CG2 C 13 16.795 0.067 . . . . . . 104 ILE CG2 . 7395 1 1156 . 1 1 104 104 ILE N N 15 121.314 0.030 . . . . . . 104 ILE N . 7395 1 1157 . 1 1 105 105 HIS H H 1 7.783 0.009 . . . . . . 105 HIS HN . 7395 1 1158 . 1 1 105 105 HIS HA H 1 4.150 0.007 . . . . . . 105 HIS HA . 7395 1 1159 . 1 1 105 105 HIS HB2 H 1 3.208 0.007 . . . . . . 105 HIS QB . 7395 1 1160 . 1 1 105 105 HIS HB3 H 1 3.208 0.007 . . . . . . 105 HIS QB . 7395 1 1161 . 1 1 105 105 HIS HE1 H 1 7.553 0.007 . . . . . . 105 HIS HE1 . 7395 1 1162 . 1 1 105 105 HIS CA C 13 61.330 0.107 . . . . . . 105 HIS CA . 7395 1 1163 . 1 1 105 105 HIS CB C 13 30.113 0.024 . . . . . . 105 HIS CB . 7395 1 1164 . 1 1 105 105 HIS CE1 C 13 137.881 0.087 . . . . . . 105 HIS CE1 . 7395 1 1165 . 1 1 105 105 HIS N N 15 117.887 0.068 . . . . . . 105 HIS N . 7395 1 1166 . 1 1 106 106 ASN H H 1 8.516 0.005 . . . . . . 106 ASN HN . 7395 1 1167 . 1 1 106 106 ASN HA H 1 4.192 0.007 . . . . . . 106 ASN HA . 7395 1 1168 . 1 1 106 106 ASN HB2 H 1 2.826 0.003 . . . . . . 106 ASN HB2 . 7395 1 1169 . 1 1 106 106 ASN HB3 H 1 2.985 0.006 . . . . . . 106 ASN HB3 . 7395 1 1170 . 1 1 106 106 ASN HD21 H 1 6.884 0.008 . . . . . . 106 ASN HD21 . 7395 1 1171 . 1 1 106 106 ASN HD22 H 1 7.659 0.007 . . . . . . 106 ASN HD22 . 7395 1 1172 . 1 1 106 106 ASN CA C 13 56.156 0.014 . . . . . . 106 ASN CA . 7395 1 1173 . 1 1 106 106 ASN CB C 13 38.798 0.038 . . . . . . 106 ASN CB . 7395 1 1174 . 1 1 106 106 ASN N N 15 115.391 0.014 . . . . . . 106 ASN N . 7395 1 1175 . 1 1 106 106 ASN ND2 N 15 111.835 0.013 . . . . . . 106 ASN ND2 . 7395 1 1176 . 1 1 107 107 THR H H 1 8.024 0.009 . . . . . . 107 THR HN . 7395 1 1177 . 1 1 107 107 THR HA H 1 4.224 0.006 . . . . . . 107 THR HA . 7395 1 1178 . 1 1 107 107 THR HB H 1 4.337 0.004 . . . . . . 107 THR HB . 7395 1 1179 . 1 1 107 107 THR HG21 H 1 1.266 0.003 . . . . . . 107 THR QG2 . 7395 1 1180 . 1 1 107 107 THR HG22 H 1 1.266 0.003 . . . . . . 107 THR QG2 . 7395 1 1181 . 1 1 107 107 THR HG23 H 1 1.266 0.003 . . . . . . 107 THR QG2 . 7395 1 1182 . 1 1 107 107 THR CA C 13 63.751 0.035 . . . . . . 107 THR CA . 7395 1 1183 . 1 1 107 107 THR CB C 13 69.908 0.054 . . . . . . 107 THR CB . 7395 1 1184 . 1 1 107 107 THR CG2 C 13 21.571 0.095 . . . . . . 107 THR CG2 . 7395 1 1185 . 1 1 107 107 THR N N 15 110.242 0.016 . . . . . . 107 THR N . 7395 1 1186 . 1 1 108 108 SER H H 1 7.470 0.007 . . . . . . 108 SER HN . 7395 1 1187 . 1 1 108 108 SER HA H 1 4.538 0.006 . . . . . . 108 SER HA . 7395 1 1188 . 1 1 108 108 SER HB2 H 1 3.774 0.007 . . . . . . 108 SER HB2 . 7395 1 1189 . 1 1 108 108 SER HB3 H 1 3.934 0.007 . . . . . . 108 SER HB3 . 7395 1 1190 . 1 1 108 108 SER CA C 13 58.012 0.083 . . . . . . 108 SER CA . 7395 1 1191 . 1 1 108 108 SER CB C 13 63.746 0.028 . . . . . . 108 SER CB . 7395 1 1192 . 1 1 108 108 SER N N 15 117.230 0.000 . . . . . . 108 SER N . 7395 1 1193 . 1 1 109 109 ARG H H 1 7.583 0.006 . . . . . . 109 ARG HN . 7395 1 1194 . 1 1 109 109 ARG HA H 1 3.751 0.009 . . . . . . 109 ARG HA . 7395 1 1195 . 1 1 109 109 ARG HB2 H 1 1.744 0.012 . . . . . . 109 ARG HB2 . 7395 1 1196 . 1 1 109 109 ARG HB3 H 1 1.766 0.010 . . . . . . 109 ARG HB3 . 7395 1 1197 . 1 1 109 109 ARG HD2 H 1 3.052 0.011 . . . . . . 109 ARG QD . 7395 1 1198 . 1 1 109 109 ARG HD3 H 1 3.052 0.011 . . . . . . 109 ARG QD . 7395 1 1199 . 1 1 109 109 ARG HG2 H 1 1.398 0.007 . . . . . . 109 ARG HG2 . 7395 1 1200 . 1 1 109 109 ARG HG3 H 1 1.523 0.005 . . . . . . 109 ARG HG3 . 7395 1 1201 . 1 1 109 109 ARG CA C 13 58.155 0.053 . . . . . . 109 ARG CA . 7395 1 1202 . 1 1 109 109 ARG CB C 13 29.323 0.078 . . . . . . 109 ARG CB . 7395 1 1203 . 1 1 109 109 ARG CD C 13 43.538 0.018 . . . . . . 109 ARG CD . 7395 1 1204 . 1 1 109 109 ARG CG C 13 27.335 0.079 . . . . . . 109 ARG CG . 7395 1 1205 . 1 1 109 109 ARG N N 15 119.847 0.053 . . . . . . 109 ARG N . 7395 1 1206 . 1 1 110 110 GLY H H 1 8.306 0.009 . . . . . . 110 GLY HN . 7395 1 1207 . 1 1 110 110 GLY HA2 H 1 4.254 0.007 . . . . . . 110 GLY HA1 . 7395 1 1208 . 1 1 110 110 GLY HA3 H 1 3.222 0.003 . . . . . . 110 GLY HA2 . 7395 1 1209 . 1 1 110 110 GLY CA C 13 45.409 0.053 . . . . . . 110 GLY CA . 7395 1 1210 . 1 1 110 110 GLY N N 15 110.547 0.026 . . . . . . 110 GLY N . 7395 1 1211 . 1 1 111 111 GLN H H 1 7.675 0.006 . . . . . . 111 GLN HN . 7395 1 1212 . 1 1 111 111 GLN HA H 1 4.434 0.009 . . . . . . 111 GLN HA . 7395 1 1213 . 1 1 111 111 GLN HB2 H 1 2.005 0.010 . . . . . . 111 GLN HB2 . 7395 1 1214 . 1 1 111 111 GLN HB3 H 1 2.184 0.007 . . . . . . 111 GLN HB3 . 7395 1 1215 . 1 1 111 111 GLN HE21 H 1 6.833 0.002 . . . . . . 111 GLN HE21 . 7395 1 1216 . 1 1 111 111 GLN HE22 H 1 7.530 0.003 . . . . . . 111 GLN HE22 . 7395 1 1217 . 1 1 111 111 GLN HG2 H 1 2.286 0.007 . . . . . . 111 GLN HG2 . 7395 1 1218 . 1 1 111 111 GLN HG3 H 1 2.333 0.005 . . . . . . 111 GLN HG3 . 7395 1 1219 . 1 1 111 111 GLN CA C 13 54.062 0.018 . . . . . . 111 GLN CA . 7395 1 1220 . 1 1 111 111 GLN CB C 13 31.203 0.108 . . . . . . 111 GLN CB . 7395 1 1221 . 1 1 111 111 GLN CG C 13 34.231 0.066 . . . . . . 111 GLN CG . 7395 1 1222 . 1 1 111 111 GLN N N 15 117.680 0.000 . . . . . . 111 GLN N . 7395 1 1223 . 1 1 111 111 GLN NE2 N 15 111.985 0.013 . . . . . . 111 GLN NE2 . 7395 1 1224 . 1 1 112 112 GLU H H 1 9.475 0.004 . . . . . . 112 GLU HN . 7395 1 1225 . 1 1 112 112 GLU HA H 1 3.990 0.009 . . . . . . 112 GLU HA . 7395 1 1226 . 1 1 112 112 GLU HB2 H 1 1.945 0.009 . . . . . . 112 GLU HB2 . 7395 1 1227 . 1 1 112 112 GLU HB3 H 1 2.406 0.007 . . . . . . 112 GLU HB3 . 7395 1 1228 . 1 1 112 112 GLU HG2 H 1 2.114 0.007 . . . . . . 112 GLU HG2 . 7395 1 1229 . 1 1 112 112 GLU HG3 H 1 2.444 0.005 . . . . . . 112 GLU HG3 . 7395 1 1230 . 1 1 112 112 GLU CA C 13 59.468 0.043 . . . . . . 112 GLU CA . 7395 1 1231 . 1 1 112 112 GLU CB C 13 28.669 0.036 . . . . . . 112 GLU CB . 7395 1 1232 . 1 1 112 112 GLU CG C 13 37.393 0.112 . . . . . . 112 GLU CG . 7395 1 1233 . 1 1 112 112 GLU N N 15 120.409 0.008 . . . . . . 112 GLU N . 7395 1 1234 . 1 1 113 113 ILE H H 1 8.404 0.011 . . . . . . 113 ILE HN . 7395 1 1235 . 1 1 113 113 ILE HA H 1 4.906 0.005 . . . . . . 113 ILE HA . 7395 1 1236 . 1 1 113 113 ILE HB H 1 2.418 0.008 . . . . . . 113 ILE HB . 7395 1 1237 . 1 1 113 113 ILE HD11 H 1 1.109 0.003 . . . . . . 113 ILE QD1 . 7395 1 1238 . 1 1 113 113 ILE HD12 H 1 1.109 0.003 . . . . . . 113 ILE QD1 . 7395 1 1239 . 1 1 113 113 ILE HD13 H 1 1.109 0.003 . . . . . . 113 ILE QD1 . 7395 1 1240 . 1 1 113 113 ILE HG12 H 1 1.460 0.013 . . . . . . 113 ILE HG12 . 7395 1 1241 . 1 1 113 113 ILE HG13 H 1 1.691 0.009 . . . . . . 113 ILE HG13 . 7395 1 1242 . 1 1 113 113 ILE HG21 H 1 1.019 0.006 . . . . . . 113 ILE QG2 . 7395 1 1243 . 1 1 113 113 ILE HG22 H 1 1.019 0.006 . . . . . . 113 ILE QG2 . 7395 1 1244 . 1 1 113 113 ILE HG23 H 1 1.019 0.006 . . . . . . 113 ILE QG2 . 7395 1 1245 . 1 1 113 113 ILE CA C 13 61.844 0.067 . . . . . . 113 ILE CA . 7395 1 1246 . 1 1 113 113 ILE CB C 13 42.326 0.139 . . . . . . 113 ILE CB . 7395 1 1247 . 1 1 113 113 ILE CD1 C 13 14.942 0.018 . . . . . . 113 ILE CD1 . 7395 1 1248 . 1 1 113 113 ILE CG2 C 13 18.294 0.081 . . . . . . 113 ILE CG2 . 7395 1 1249 . 1 1 113 113 ILE N N 15 115.576 0.038 . . . . . . 113 ILE N . 7395 1 1250 . 1 1 114 114 ILE H H 1 9.644 0.009 . . . . . . 114 ILE HN . 7395 1 1251 . 1 1 114 114 ILE HA H 1 3.512 0.006 . . . . . . 114 ILE HA . 7395 1 1252 . 1 1 114 114 ILE HB H 1 2.034 0.011 . . . . . . 114 ILE HB . 7395 1 1253 . 1 1 114 114 ILE HD11 H 1 0.212 0.006 . . . . . . 114 ILE QD1 . 7395 1 1254 . 1 1 114 114 ILE HD12 H 1 0.212 0.006 . . . . . . 114 ILE QD1 . 7395 1 1255 . 1 1 114 114 ILE HD13 H 1 0.212 0.006 . . . . . . 114 ILE QD1 . 7395 1 1256 . 1 1 114 114 ILE HG12 H 1 0.932 0.006 . . . . . . 114 ILE HG12 . 7395 1 1257 . 1 1 114 114 ILE HG13 H 1 2.070 0.011 . . . . . . 114 ILE HG13 . 7395 1 1258 . 1 1 114 114 ILE HG21 H 1 0.395 0.005 . . . . . . 114 ILE QG2 . 7395 1 1259 . 1 1 114 114 ILE HG22 H 1 0.395 0.005 . . . . . . 114 ILE QG2 . 7395 1 1260 . 1 1 114 114 ILE HG23 H 1 0.395 0.005 . . . . . . 114 ILE QG2 . 7395 1 1261 . 1 1 114 114 ILE CA C 13 64.754 0.129 . . . . . . 114 ILE CA . 7395 1 1262 . 1 1 114 114 ILE CB C 13 33.821 0.111 . . . . . . 114 ILE CB . 7395 1 1263 . 1 1 114 114 ILE CD1 C 13 8.711 0.025 . . . . . . 114 ILE CD1 . 7395 1 1264 . 1 1 114 114 ILE CG1 C 13 26.705 0.069 . . . . . . 114 ILE CG1 . 7395 1 1265 . 1 1 114 114 ILE CG2 C 13 17.609 0.041 . . . . . . 114 ILE CG2 . 7395 1 1266 . 1 1 114 114 ILE N N 15 125.283 0.012 . . . . . . 114 ILE N . 7395 1 1267 . 1 1 115 115 PHE H H 1 9.386 0.005 . . . . . . 115 PHE HN . 7395 1 1268 . 1 1 115 115 PHE HA H 1 4.845 0.005 . . . . . . 115 PHE HA . 7395 1 1269 . 1 1 115 115 PHE HB2 H 1 2.884 0.010 . . . . . . 115 PHE HB2 . 7395 1 1270 . 1 1 115 115 PHE HB3 H 1 3.104 0.008 . . . . . . 115 PHE HB3 . 7395 1 1271 . 1 1 115 115 PHE HD1 H 1 7.230 0.007 . . . . . . 115 PHE QD . 7395 1 1272 . 1 1 115 115 PHE HD2 H 1 7.230 0.007 . . . . . . 115 PHE QD . 7395 1 1273 . 1 1 115 115 PHE HE1 H 1 7.295 0.009 . . . . . . 115 PHE QE . 7395 1 1274 . 1 1 115 115 PHE HE2 H 1 7.295 0.009 . . . . . . 115 PHE QE . 7395 1 1275 . 1 1 115 115 PHE HZ H 1 6.850 0.003 . . . . . . 115 PHE HZ . 7395 1 1276 . 1 1 115 115 PHE CA C 13 60.104 0.037 . . . . . . 115 PHE CA . 7395 1 1277 . 1 1 115 115 PHE CB C 13 38.535 0.032 . . . . . . 115 PHE CB . 7395 1 1278 . 1 1 115 115 PHE CD1 C 13 131.300 0.150 . . . . . . 115 PHE CD1 . 7395 1 1279 . 1 1 115 115 PHE CE1 C 13 131.750 0.000 . . . . . . 115 PHE CE1 . 7395 1 1280 . 1 1 115 115 PHE N N 15 118.450 0.082 . . . . . . 115 PHE N . 7395 1 1281 . 1 1 116 116 GLU H H 1 7.852 0.009 . . . . . . 116 GLU HN . 7395 1 1282 . 1 1 116 116 GLU HA H 1 3.915 0.008 . . . . . . 116 GLU HA . 7395 1 1283 . 1 1 116 116 GLU HB2 H 1 2.104 0.009 . . . . . . 116 GLU HB2 . 7395 1 1284 . 1 1 116 116 GLU HB3 H 1 2.212 0.008 . . . . . . 116 GLU HB3 . 7395 1 1285 . 1 1 116 116 GLU HG2 H 1 2.380 0.006 . . . . . . 116 GLU HG2 . 7395 1 1286 . 1 1 116 116 GLU HG3 H 1 2.434 0.011 . . . . . . 116 GLU HG3 . 7395 1 1287 . 1 1 116 116 GLU CA C 13 60.011 0.065 . . . . . . 116 GLU CA . 7395 1 1288 . 1 1 116 116 GLU CB C 13 29.177 0.133 . . . . . . 116 GLU CB . 7395 1 1289 . 1 1 116 116 GLU CG C 13 36.161 0.069 . . . . . . 116 GLU CG . 7395 1 1290 . 1 1 116 116 GLU N N 15 121.367 0.027 . . . . . . 116 GLU N . 7395 1 1291 . 1 1 117 117 ILE H H 1 8.244 0.007 . . . . . . 117 ILE HN . 7395 1 1292 . 1 1 117 117 ILE HA H 1 3.621 0.006 . . . . . . 117 ILE HA . 7395 1 1293 . 1 1 117 117 ILE HB H 1 2.243 0.008 . . . . . . 117 ILE HB . 7395 1 1294 . 1 1 117 117 ILE HD11 H 1 0.728 0.007 . . . . . . 117 ILE QD1 . 7395 1 1295 . 1 1 117 117 ILE HD12 H 1 0.728 0.007 . . . . . . 117 ILE QD1 . 7395 1 1296 . 1 1 117 117 ILE HD13 H 1 0.728 0.007 . . . . . . 117 ILE QD1 . 7395 1 1297 . 1 1 117 117 ILE HG12 H 1 0.964 0.012 . . . . . . 117 ILE HG12 . 7395 1 1298 . 1 1 117 117 ILE HG13 H 1 1.775 0.006 . . . . . . 117 ILE HG13 . 7395 1 1299 . 1 1 117 117 ILE HG21 H 1 0.173 0.004 . . . . . . 117 ILE QG2 . 7395 1 1300 . 1 1 117 117 ILE HG22 H 1 0.173 0.004 . . . . . . 117 ILE QG2 . 7395 1 1301 . 1 1 117 117 ILE HG23 H 1 0.173 0.004 . . . . . . 117 ILE QG2 . 7395 1 1302 . 1 1 117 117 ILE CA C 13 65.573 0.072 . . . . . . 117 ILE CA . 7395 1 1303 . 1 1 117 117 ILE CB C 13 37.525 0.098 . . . . . . 117 ILE CB . 7395 1 1304 . 1 1 117 117 ILE CD1 C 13 13.096 0.121 . . . . . . 117 ILE CD1 . 7395 1 1305 . 1 1 117 117 ILE CG1 C 13 29.380 0.109 . . . . . . 117 ILE CG1 . 7395 1 1306 . 1 1 117 117 ILE CG2 C 13 15.582 0.032 . . . . . . 117 ILE CG2 . 7395 1 1307 . 1 1 117 117 ILE N N 15 119.656 0.033 . . . . . . 117 ILE N . 7395 1 1308 . 1 1 118 118 THR H H 1 9.388 0.006 . . . . . . 118 THR HN . 7395 1 1309 . 1 1 118 118 THR HA H 1 4.157 0.010 . . . . . . 118 THR HA . 7395 1 1310 . 1 1 118 118 THR HB H 1 3.727 0.008 . . . . . . 118 THR HB . 7395 1 1311 . 1 1 118 118 THR HG1 H 1 5.178 0.000 . . . . . . 118 THR HG1 . 7395 1 1312 . 1 1 118 118 THR HG21 H 1 1.203 0.004 . . . . . . 118 THR QG2 . 7395 1 1313 . 1 1 118 118 THR HG22 H 1 1.203 0.004 . . . . . . 118 THR QG2 . 7395 1 1314 . 1 1 118 118 THR HG23 H 1 1.203 0.004 . . . . . . 118 THR QG2 . 7395 1 1315 . 1 1 118 118 THR CA C 13 66.906 0.042 . . . . . . 118 THR CA . 7395 1 1316 . 1 1 118 118 THR CB C 13 66.906 0.024 . . . . . . 118 THR CB . 7395 1 1317 . 1 1 118 118 THR CG2 C 13 23.707 0.075 . . . . . . 118 THR CG2 . 7395 1 1318 . 1 1 118 118 THR N N 15 117.199 0.046 . . . . . . 118 THR N . 7395 1 1319 . 1 1 119 119 SER H H 1 8.558 0.006 . . . . . . 119 SER HN . 7395 1 1320 . 1 1 119 119 SER HA H 1 4.094 0.007 . . . . . . 119 SER HA . 7395 1 1321 . 1 1 119 119 SER HB2 H 1 3.369 0.005 . . . . . . 119 SER HB2 . 7395 1 1322 . 1 1 119 119 SER HB3 H 1 3.618 0.008 . . . . . . 119 SER HB3 . 7395 1 1323 . 1 1 119 119 SER CA C 13 62.205 0.121 . . . . . . 119 SER CA . 7395 1 1324 . 1 1 119 119 SER CB C 13 62.439 0.086 . . . . . . 119 SER CB . 7395 1 1325 . 1 1 119 119 SER N N 15 118.986 0.018 . . . . . . 119 SER N . 7395 1 1326 . 1 1 120 120 PHE H H 1 7.815 0.011 . . . . . . 120 PHE HN . 7395 1 1327 . 1 1 120 120 PHE HA H 1 4.268 0.005 . . . . . . 120 PHE HA . 7395 1 1328 . 1 1 120 120 PHE HB2 H 1 3.158 0.007 . . . . . . 120 PHE HB2 . 7395 1 1329 . 1 1 120 120 PHE HB3 H 1 3.479 0.009 . . . . . . 120 PHE HB3 . 7395 1 1330 . 1 1 120 120 PHE HD1 H 1 7.270 0.009 . . . . . . 120 PHE QD . 7395 1 1331 . 1 1 120 120 PHE HD2 H 1 7.270 0.009 . . . . . . 120 PHE QD . 7395 1 1332 . 1 1 120 120 PHE CA C 13 61.712 0.097 . . . . . . 120 PHE CA . 7395 1 1333 . 1 1 120 120 PHE CB C 13 39.617 0.121 . . . . . . 120 PHE CB . 7395 1 1334 . 1 1 120 120 PHE CD1 C 13 132.130 0.090 . . . . . . 120 PHE CD1 . 7395 1 1335 . 1 1 120 120 PHE N N 15 123.880 0.000 . . . . . . 120 PHE N . 7395 1 1336 . 1 1 121 121 THR H H 1 8.167 0.008 . . . . . . 121 THR HN . 7395 1 1337 . 1 1 121 121 THR HA H 1 3.493 0.009 . . . . . . 121 THR HA . 7395 1 1338 . 1 1 121 121 THR HB H 1 4.298 0.011 . . . . . . 121 THR HB . 7395 1 1339 . 1 1 121 121 THR HG1 H 1 4.634 0.000 . . . . . . 121 THR HG1 . 7395 1 1340 . 1 1 121 121 THR HG21 H 1 1.174 0.004 . . . . . . 121 THR QG2 . 7395 1 1341 . 1 1 121 121 THR HG22 H 1 1.174 0.004 . . . . . . 121 THR QG2 . 7395 1 1342 . 1 1 121 121 THR HG23 H 1 1.174 0.004 . . . . . . 121 THR QG2 . 7395 1 1343 . 1 1 121 121 THR CA C 13 68.204 0.053 . . . . . . 121 THR CA . 7395 1 1344 . 1 1 121 121 THR CB C 13 67.350 0.046 . . . . . . 121 THR CB . 7395 1 1345 . 1 1 121 121 THR CG2 C 13 21.896 0.042 . . . . . . 121 THR CG2 . 7395 1 1346 . 1 1 121 121 THR N N 15 115.567 0.027 . . . . . . 121 THR N . 7395 1 1347 . 1 1 122 122 GLN H H 1 8.500 0.010 . . . . . . 122 GLN HN . 7395 1 1348 . 1 1 122 122 GLN HA H 1 3.644 0.008 . . . . . . 122 GLN HA . 7395 1 1349 . 1 1 122 122 GLN HB2 H 1 2.276 0.010 . . . . . . 122 GLN QB . 7395 1 1350 . 1 1 122 122 GLN HB3 H 1 2.276 0.010 . . . . . . 122 GLN QB . 7395 1 1351 . 1 1 122 122 GLN CA C 13 58.904 0.064 . . . . . . 122 GLN CA . 7395 1 1352 . 1 1 122 122 GLN CB C 13 29.290 0.050 . . . . . . 122 GLN CB . 7395 1 1353 . 1 1 122 122 GLN N N 15 120.631 0.015 . . . . . . 122 GLN N . 7395 1 1354 . 1 1 123 123 GLU H H 1 7.420 0.009 . . . . . . 123 GLU HN . 7395 1 1355 . 1 1 123 123 GLU HA H 1 4.051 0.007 . . . . . . 123 GLU HA . 7395 1 1356 . 1 1 123 123 GLU HB2 H 1 1.943 0.005 . . . . . . 123 GLU HB2 . 7395 1 1357 . 1 1 123 123 GLU HB3 H 1 2.060 0.009 . . . . . . 123 GLU HB3 . 7395 1 1358 . 1 1 123 123 GLU HG2 H 1 2.069 0.010 . . . . . . 123 GLU HG2 . 7395 1 1359 . 1 1 123 123 GLU HG3 H 1 2.343 0.002 . . . . . . 123 GLU HG3 . 7395 1 1360 . 1 1 123 123 GLU CA C 13 59.094 0.053 . . . . . . 123 GLU CA . 7395 1 1361 . 1 1 123 123 GLU CB C 13 29.275 0.097 . . . . . . 123 GLU CB . 7395 1 1362 . 1 1 123 123 GLU CG C 13 36.179 0.064 . . . . . . 123 GLU CG . 7395 1 1363 . 1 1 123 123 GLU N N 15 116.788 0.043 . . . . . . 123 GLU N . 7395 1 1364 . 1 1 124 124 LYS H H 1 7.721 0.011 . . . . . . 124 LYS HN . 7395 1 1365 . 1 1 124 124 LYS HA H 1 3.510 0.007 . . . . . . 124 LYS HA . 7395 1 1366 . 1 1 124 124 LYS HB2 H 1 0.864 0.007 . . . . . . 124 LYS HB2 . 7395 1 1367 . 1 1 124 124 LYS HB3 H 1 1.367 0.009 . . . . . . 124 LYS HB3 . 7395 1 1368 . 1 1 124 124 LYS HD2 H 1 1.215 0.009 . . . . . . 124 LYS HD2 . 7395 1 1369 . 1 1 124 124 LYS HD3 H 1 1.274 0.006 . . . . . . 124 LYS HD3 . 7395 1 1370 . 1 1 124 124 LYS HE2 H 1 2.411 0.004 . . . . . . 124 LYS HE2 . 7395 1 1371 . 1 1 124 124 LYS HE3 H 1 2.590 0.008 . . . . . . 124 LYS HE3 . 7395 1 1372 . 1 1 124 124 LYS HG2 H 1 0.559 0.011 . . . . . . 124 LYS HG2 . 7395 1 1373 . 1 1 124 124 LYS HG3 H 1 0.666 0.010 . . . . . . 124 LYS HG3 . 7395 1 1374 . 1 1 124 124 LYS CA C 13 56.242 0.033 . . . . . . 124 LYS CA . 7395 1 1375 . 1 1 124 124 LYS CB C 13 30.655 0.071 . . . . . . 124 LYS CB . 7395 1 1376 . 1 1 124 124 LYS CD C 13 26.627 0.127 . . . . . . 124 LYS CD . 7395 1 1377 . 1 1 124 124 LYS CE C 13 42.401 0.066 . . . . . . 124 LYS CE . 7395 1 1378 . 1 1 124 124 LYS CG C 13 23.143 0.005 . . . . . . 124 LYS CG . 7395 1 1379 . 1 1 124 124 LYS N N 15 117.284 0.015 . . . . . . 124 LYS N . 7395 1 1380 . 1 1 125 125 LEU H H 1 8.537 0.009 . . . . . . 125 LEU HN . 7395 1 1381 . 1 1 125 125 LEU HA H 1 3.612 0.007 . . . . . . 125 LEU HA . 7395 1 1382 . 1 1 125 125 LEU HB2 H 1 1.159 0.009 . . . . . . 125 LEU HB2 . 7395 1 1383 . 1 1 125 125 LEU HB3 H 1 1.693 0.006 . . . . . . 125 LEU HB3 . 7395 1 1384 . 1 1 125 125 LEU HD11 H 1 0.647 0.007 . . . . . . 125 LEU QD1 . 7395 1 1385 . 1 1 125 125 LEU HD12 H 1 0.647 0.007 . . . . . . 125 LEU QD1 . 7395 1 1386 . 1 1 125 125 LEU HD13 H 1 0.647 0.007 . . . . . . 125 LEU QD1 . 7395 1 1387 . 1 1 125 125 LEU HD21 H 1 0.636 0.006 . . . . . . 125 LEU QD2 . 7395 1 1388 . 1 1 125 125 LEU HD22 H 1 0.636 0.006 . . . . . . 125 LEU QD2 . 7395 1 1389 . 1 1 125 125 LEU HD23 H 1 0.636 0.006 . . . . . . 125 LEU QD2 . 7395 1 1390 . 1 1 125 125 LEU HG H 1 1.564 0.009 . . . . . . 125 LEU HG . 7395 1 1391 . 1 1 125 125 LEU CA C 13 58.185 0.081 . . . . . . 125 LEU CA . 7395 1 1392 . 1 1 125 125 LEU CB C 13 41.887 0.063 . . . . . . 125 LEU CB . 7395 1 1393 . 1 1 125 125 LEU CD1 C 13 24.156 0.063 . . . . . . 125 LEU CD1 . 7395 1 1394 . 1 1 125 125 LEU CD2 C 13 26.903 0.034 . . . . . . 125 LEU CD2 . 7395 1 1395 . 1 1 125 125 LEU CG C 13 26.886 0.085 . . . . . . 125 LEU CG . 7395 1 1396 . 1 1 125 125 LEU N N 15 119.529 0.021 . . . . . . 125 LEU N . 7395 1 1397 . 1 1 126 126 ASP H H 1 7.468 0.011 . . . . . . 126 ASP HN . 7395 1 1398 . 1 1 126 126 ASP HA H 1 4.522 0.007 . . . . . . 126 ASP HA . 7395 1 1399 . 1 1 126 126 ASP HB2 H 1 2.682 0.004 . . . . . . 126 ASP QB . 7395 1 1400 . 1 1 126 126 ASP HB3 H 1 2.682 0.004 . . . . . . 126 ASP QB . 7395 1 1401 . 1 1 126 126 ASP CA C 13 57.444 0.068 . . . . . . 126 ASP CA . 7395 1 1402 . 1 1 126 126 ASP N N 15 116.673 0.033 . . . . . . 126 ASP N . 7395 1 1403 . 1 1 127 127 GLU H H 1 7.318 0.009 . . . . . . 127 GLU HN . 7395 1 1404 . 1 1 127 127 GLU HA H 1 4.137 0.007 . . . . . . 127 GLU HA . 7395 1 1405 . 1 1 127 127 GLU HB2 H 1 2.025 0.005 . . . . . . 127 GLU HB2 . 7395 1 1406 . 1 1 127 127 GLU HB3 H 1 2.068 0.010 . . . . . . 127 GLU HB3 . 7395 1 1407 . 1 1 127 127 GLU HG2 H 1 2.132 0.006 . . . . . . 127 GLU HG2 . 7395 1 1408 . 1 1 127 127 GLU HG3 H 1 2.394 0.006 . . . . . . 127 GLU HG3 . 7395 1 1409 . 1 1 127 127 GLU CA C 13 58.769 0.029 . . . . . . 127 GLU CA . 7395 1 1410 . 1 1 127 127 GLU CB C 13 29.851 0.111 . . . . . . 127 GLU CB . 7395 1 1411 . 1 1 127 127 GLU CG C 13 36.148 0.080 . . . . . . 127 GLU CG . 7395 1 1412 . 1 1 128 128 PHE H H 1 8.980 0.010 . . . . . . 128 PHE HN . 7395 1 1413 . 1 1 128 128 PHE HA H 1 4.533 0.011 . . . . . . 128 PHE HA . 7395 1 1414 . 1 1 128 128 PHE HB2 H 1 3.226 0.003 . . . . . . 128 PHE HB2 . 7395 1 1415 . 1 1 128 128 PHE HB3 H 1 3.314 0.005 . . . . . . 128 PHE HB3 . 7395 1 1416 . 1 1 128 128 PHE HD1 H 1 7.033 0.009 . . . . . . 128 PHE QD . 7395 1 1417 . 1 1 128 128 PHE HD2 H 1 7.033 0.009 . . . . . . 128 PHE QD . 7395 1 1418 . 1 1 128 128 PHE CA C 13 56.877 0.053 . . . . . . 128 PHE CA . 7395 1 1419 . 1 1 128 128 PHE CB C 13 37.428 0.092 . . . . . . 128 PHE CB . 7395 1 1420 . 1 1 128 128 PHE CD1 C 13 131.559 0.000 . . . . . . 128 PHE CD1 . 7395 1 1421 . 1 1 128 128 PHE N N 15 119.512 0.015 . . . . . . 128 PHE N . 7395 1 1422 . 1 1 129 129 GLN H H 1 8.197 0.003 . . . . . . 129 GLN HN . 7395 1 1423 . 1 1 129 129 GLN HA H 1 4.017 0.007 . . . . . . 129 GLN HA . 7395 1 1424 . 1 1 129 129 GLN HB2 H 1 2.063 0.000 . . . . . . 129 GLN HB2 . 7395 1 1425 . 1 1 129 129 GLN HB3 H 1 2.426 0.000 . . . . . . 129 GLN HB3 . 7395 1 1426 . 1 1 129 129 GLN HE21 H 1 6.262 0.005 . . . . . . 129 GLN HE21 . 7395 1 1427 . 1 1 129 129 GLN HE22 H 1 7.382 0.006 . . . . . . 129 GLN HE22 . 7395 1 1428 . 1 1 129 129 GLN HG2 H 1 2.434 0.008 . . . . . . 129 GLN HG2 . 7395 1 1429 . 1 1 129 129 GLN HG3 H 1 2.804 0.007 . . . . . . 129 GLN HG3 . 7395 1 1430 . 1 1 129 129 GLN CA C 13 58.879 0.072 . . . . . . 129 GLN CA . 7395 1 1431 . 1 1 129 129 GLN CB C 13 27.658 0.098 . . . . . . 129 GLN CB . 7395 1 1432 . 1 1 129 129 GLN CG C 13 33.209 0.109 . . . . . . 129 GLN CG . 7395 1 1433 . 1 1 129 129 GLN N N 15 118.686 0.090 . . . . . . 129 GLN N . 7395 1 1434 . 1 1 129 129 GLN NE2 N 15 107.775 0.014 . . . . . . 129 GLN NE2 . 7395 1 1435 . 1 1 130 130 ASN H H 1 7.528 0.007 . . . . . . 130 ASN HN . 7395 1 1436 . 1 1 130 130 ASN HA H 1 4.523 0.007 . . . . . . 130 ASN HA . 7395 1 1437 . 1 1 130 130 ASN HB2 H 1 2.872 0.006 . . . . . . 130 ASN HB2 . 7395 1 1438 . 1 1 130 130 ASN HB3 H 1 2.925 0.002 . . . . . . 130 ASN HB3 . 7395 1 1439 . 1 1 130 130 ASN HD21 H 1 7.060 0.008 . . . . . . 130 ASN HD21 . 7395 1 1440 . 1 1 130 130 ASN HD22 H 1 7.719 0.008 . . . . . . 130 ASN HD22 . 7395 1 1441 . 1 1 130 130 ASN CA C 13 54.631 0.067 . . . . . . 130 ASN CA . 7395 1 1442 . 1 1 130 130 ASN CB C 13 39.467 0.074 . . . . . . 130 ASN CB . 7395 1 1443 . 1 1 130 130 ASN N N 15 115.021 0.025 . . . . . . 130 ASN N . 7395 1 1444 . 1 1 130 130 ASN ND2 N 15 112.272 0.027 . . . . . . 130 ASN ND2 . 7395 1 1445 . 1 1 131 131 VAL H H 1 7.740 0.006 . . . . . . 131 VAL HN . 7395 1 1446 . 1 1 131 131 VAL HA H 1 4.152 0.005 . . . . . . 131 VAL HA . 7395 1 1447 . 1 1 131 131 VAL HB H 1 2.228 0.003 . . . . . . 131 VAL HB . 7395 1 1448 . 1 1 131 131 VAL HG11 H 1 1.022 0.002 . . . . . . 131 VAL QG1 . 7395 1 1449 . 1 1 131 131 VAL HG12 H 1 1.022 0.002 . . . . . . 131 VAL QG1 . 7395 1 1450 . 1 1 131 131 VAL HG13 H 1 1.022 0.002 . . . . . . 131 VAL QG1 . 7395 1 1451 . 1 1 131 131 VAL HG21 H 1 0.938 0.011 . . . . . . 131 VAL QG2 . 7395 1 1452 . 1 1 131 131 VAL HG22 H 1 0.938 0.011 . . . . . . 131 VAL QG2 . 7395 1 1453 . 1 1 131 131 VAL HG23 H 1 0.938 0.011 . . . . . . 131 VAL QG2 . 7395 1 1454 . 1 1 131 131 VAL CA C 13 62.942 0.041 . . . . . . 131 VAL CA . 7395 1 1455 . 1 1 131 131 VAL CB C 13 32.394 0.008 . . . . . . 131 VAL CB . 7395 1 1456 . 1 1 131 131 VAL CG1 C 13 20.685 0.074 . . . . . . 131 VAL CG1 . 7395 1 1457 . 1 1 131 131 VAL CG2 C 13 21.119 0.116 . . . . . . 131 VAL CG2 . 7395 1 1458 . 1 1 131 131 VAL N N 15 116.461 0.017 . . . . . . 131 VAL N . 7395 1 1459 . 1 1 132 132 VAL H H 1 7.773 0.004 . . . . . . 132 VAL HN . 7395 1 1460 . 1 1 132 132 VAL HA H 1 3.932 0.008 . . . . . . 132 VAL HA . 7395 1 1461 . 1 1 132 132 VAL HB H 1 2.065 0.010 . . . . . . 132 VAL HB . 7395 1 1462 . 1 1 132 132 VAL HG11 H 1 0.886 0.006 . . . . . . 132 VAL QG1 . 7395 1 1463 . 1 1 132 132 VAL HG12 H 1 0.886 0.006 . . . . . . 132 VAL QG1 . 7395 1 1464 . 1 1 132 132 VAL HG13 H 1 0.886 0.006 . . . . . . 132 VAL QG1 . 7395 1 1465 . 1 1 132 132 VAL HG21 H 1 0.945 0.008 . . . . . . 132 VAL QG2 . 7395 1 1466 . 1 1 132 132 VAL HG22 H 1 0.945 0.008 . . . . . . 132 VAL QG2 . 7395 1 1467 . 1 1 132 132 VAL HG23 H 1 0.945 0.008 . . . . . . 132 VAL QG2 . 7395 1 1468 . 1 1 132 132 VAL CA C 13 63.730 0.004 . . . . . . 132 VAL CA . 7395 1 1469 . 1 1 132 132 VAL CB C 13 31.887 0.093 . . . . . . 132 VAL CB . 7395 1 1470 . 1 1 132 132 VAL CG1 C 13 21.236 0.037 . . . . . . 132 VAL CG1 . 7395 1 1471 . 1 1 132 132 VAL CG2 C 13 21.133 0.113 . . . . . . 132 VAL CG2 . 7395 1 1472 . 1 1 132 132 VAL N N 15 121.475 0.033 . . . . . . 132 VAL N . 7395 1 1473 . 1 1 133 133 ASN H H 1 8.291 0.000 . . . . . . 133 ASN HN . 7395 1 stop_ save_