data_16957 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16957 _Entry.Title ; Solution structure of the voltage-sensing domain of KvAP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-26 _Entry.Accession_date 2010-05-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Joel Butterwick . A. . 16957 2 Roderick MacKinnon . . . 16957 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16957 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ion channel' . 16957 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 16957 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 16957 '15N chemical shifts' 231 16957 '1H chemical shifts' 233 16957 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-26 2010-05-26 update BMRB 'update entry citation' 16957 1 . . 2010-09-24 2010-05-26 original author 'original release' 16957 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KYH 'BMRB Entry Tracking System' 16957 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16957 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20851706 _Citation.Full_citation . _Citation.Title 'Solution structure and phospholipid interactions of the isolated voltage-sensor domain from KvAP.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 403 _Citation.Journal_issue 4 _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 591 _Citation.Page_last 606 _Citation.Year 2010 _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 Joel Butterwick . A. . 16957 1 2 Roderick MacKinnon . . . 16957 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16957 _Assembly.ID 1 _Assembly.Name KvAP _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 'voltage-sensor domain of KvAP' 1 $entity A . yes native no no . . . 16957 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16957 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KvAP _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 ; LRGLSDLGGRVRNIGDVMEH PLVELGVSYAALLSVIVVVV EYTMQLSGEYLVRLYLVDLI LVIILWADYAYRAYKSGDPA GYVKKTLYEIPALVPAGLLA LIEGHLAGLGLFRLVRLLRF LRILLIISRGSKFLSAIADA ADKLVPR ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16197.432 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ORQ . "X-Ray Structure Of A Voltage-Dependent Potassium Channel In Complex With An Fab" . . . . . 89.12 223 98.47 99.24 3.73e-79 . . . . 16957 1 2 no PDB 1ORS . "X-Ray Structure Of The Kvap Potassium Channel Voltage Sensor In Complex With An Fab" . . . . . 89.80 132 100.00 100.00 2.14e-82 . . . . 16957 1 3 no PDB 2A0L . "Crystal Structure Of Kvap-33h1 Fv Complex" . . . . . 96.60 241 99.30 100.00 1.60e-88 . . . . 16957 1 4 no PDB 2KYH . "Solution Structure Of The Voltage-Sensing Domain Of Kvap" . . . . . 100.00 147 100.00 100.00 2.32e-93 . . . . 16957 1 5 no DBJ BAA79939 . "voltage-gated potassium channel [Aeropyrum pernix K1]" . . . . . 97.28 295 99.30 100.00 3.42e-89 . . . . 16957 1 6 no SP Q9YDF8 . "RecName: Full=Voltage-gated potassium channel; AltName: Full=KvAP" . . . . . 97.28 295 99.30 100.00 3.42e-89 . . . . 16957 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 . LEU . 16957 1 2 . ARG . 16957 1 3 . GLY . 16957 1 4 . LEU . 16957 1 5 . SER . 16957 1 6 . ASP . 16957 1 7 . LEU . 16957 1 8 . GLY . 16957 1 9 . GLY . 16957 1 10 . ARG . 16957 1 11 . VAL . 16957 1 12 . ARG . 16957 1 13 . ASN . 16957 1 14 . ILE . 16957 1 15 . GLY . 16957 1 16 . ASP . 16957 1 17 . VAL . 16957 1 18 . MET . 16957 1 19 . GLU . 16957 1 20 . HIS . 16957 1 21 . PRO . 16957 1 22 . LEU . 16957 1 23 . VAL . 16957 1 24 . GLU . 16957 1 25 . LEU . 16957 1 26 . GLY . 16957 1 27 . VAL . 16957 1 28 . SER . 16957 1 29 . TYR . 16957 1 30 . ALA . 16957 1 31 . ALA . 16957 1 32 . LEU . 16957 1 33 . LEU . 16957 1 34 . SER . 16957 1 35 . VAL . 16957 1 36 . ILE . 16957 1 37 . VAL . 16957 1 38 . VAL . 16957 1 39 . VAL . 16957 1 40 . VAL . 16957 1 41 . GLU . 16957 1 42 . TYR . 16957 1 43 . THR . 16957 1 44 . MET . 16957 1 45 . GLN . 16957 1 46 . LEU . 16957 1 47 . SER . 16957 1 48 . GLY . 16957 1 49 . GLU . 16957 1 50 . TYR . 16957 1 51 . LEU . 16957 1 52 . VAL . 16957 1 53 . ARG . 16957 1 54 . LEU . 16957 1 55 . TYR . 16957 1 56 . LEU . 16957 1 57 . VAL . 16957 1 58 . ASP . 16957 1 59 . LEU . 16957 1 60 . ILE . 16957 1 61 . LEU . 16957 1 62 . VAL . 16957 1 63 . ILE . 16957 1 64 . ILE . 16957 1 65 . LEU . 16957 1 66 . TRP . 16957 1 67 . ALA . 16957 1 68 . ASP . 16957 1 69 . TYR . 16957 1 70 . ALA . 16957 1 71 . TYR . 16957 1 72 . ARG . 16957 1 73 . ALA . 16957 1 74 . TYR . 16957 1 75 . LYS . 16957 1 76 . SER . 16957 1 77 . GLY . 16957 1 78 . ASP . 16957 1 79 . PRO . 16957 1 80 . ALA . 16957 1 81 . GLY . 16957 1 82 . TYR . 16957 1 83 . VAL . 16957 1 84 . LYS . 16957 1 85 . LYS . 16957 1 86 . THR . 16957 1 87 . LEU . 16957 1 88 . TYR . 16957 1 89 . GLU . 16957 1 90 . ILE . 16957 1 91 . PRO . 16957 1 92 . ALA . 16957 1 93 . LEU . 16957 1 94 . VAL . 16957 1 95 . PRO . 16957 1 96 . ALA . 16957 1 97 . GLY . 16957 1 98 . LEU . 16957 1 99 . LEU . 16957 1 100 . ALA . 16957 1 101 . LEU . 16957 1 102 . ILE . 16957 1 103 . GLU . 16957 1 104 . GLY . 16957 1 105 . HIS . 16957 1 106 . LEU . 16957 1 107 . ALA . 16957 1 108 . GLY . 16957 1 109 . LEU . 16957 1 110 . GLY . 16957 1 111 . LEU . 16957 1 112 . PHE . 16957 1 113 . ARG . 16957 1 114 . LEU . 16957 1 115 . VAL . 16957 1 116 . ARG . 16957 1 117 . LEU . 16957 1 118 . LEU . 16957 1 119 . ARG . 16957 1 120 . PHE . 16957 1 121 . LEU . 16957 1 122 . ARG . 16957 1 123 . ILE . 16957 1 124 . LEU . 16957 1 125 . LEU . 16957 1 126 . ILE . 16957 1 127 . ILE . 16957 1 128 . SER . 16957 1 129 . ARG . 16957 1 130 . GLY . 16957 1 131 . SER . 16957 1 132 . LYS . 16957 1 133 . PHE . 16957 1 134 . LEU . 16957 1 135 . SER . 16957 1 136 . ALA . 16957 1 137 . ILE . 16957 1 138 . ALA . 16957 1 139 . ASP . 16957 1 140 . ALA . 16957 1 141 . ALA . 16957 1 142 . ASP . 16957 1 143 . LYS . 16957 1 144 . LEU . 16957 1 145 . VAL . 16957 1 146 . PRO . 16957 1 147 . ARG . 16957 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 . LEU 1 1 16957 1 . ARG 2 2 16957 1 . GLY 3 3 16957 1 . LEU 4 4 16957 1 . SER 5 5 16957 1 . ASP 6 6 16957 1 . LEU 7 7 16957 1 . GLY 8 8 16957 1 . GLY 9 9 16957 1 . ARG 10 10 16957 1 . VAL 11 11 16957 1 . ARG 12 12 16957 1 . ASN 13 13 16957 1 . ILE 14 14 16957 1 . GLY 15 15 16957 1 . ASP 16 16 16957 1 . VAL 17 17 16957 1 . MET 18 18 16957 1 . GLU 19 19 16957 1 . HIS 20 20 16957 1 . PRO 21 21 16957 1 . LEU 22 22 16957 1 . VAL 23 23 16957 1 . GLU 24 24 16957 1 . LEU 25 25 16957 1 . GLY 26 26 16957 1 . VAL 27 27 16957 1 . SER 28 28 16957 1 . TYR 29 29 16957 1 . ALA 30 30 16957 1 . ALA 31 31 16957 1 . LEU 32 32 16957 1 . LEU 33 33 16957 1 . SER 34 34 16957 1 . VAL 35 35 16957 1 . ILE 36 36 16957 1 . VAL 37 37 16957 1 . VAL 38 38 16957 1 . VAL 39 39 16957 1 . VAL 40 40 16957 1 . GLU 41 41 16957 1 . TYR 42 42 16957 1 . THR 43 43 16957 1 . MET 44 44 16957 1 . GLN 45 45 16957 1 . LEU 46 46 16957 1 . SER 47 47 16957 1 . GLY 48 48 16957 1 . GLU 49 49 16957 1 . TYR 50 50 16957 1 . LEU 51 51 16957 1 . VAL 52 52 16957 1 . ARG 53 53 16957 1 . LEU 54 54 16957 1 . TYR 55 55 16957 1 . LEU 56 56 16957 1 . VAL 57 57 16957 1 . ASP 58 58 16957 1 . LEU 59 59 16957 1 . ILE 60 60 16957 1 . LEU 61 61 16957 1 . VAL 62 62 16957 1 . ILE 63 63 16957 1 . ILE 64 64 16957 1 . LEU 65 65 16957 1 . TRP 66 66 16957 1 . ALA 67 67 16957 1 . ASP 68 68 16957 1 . TYR 69 69 16957 1 . ALA 70 70 16957 1 . TYR 71 71 16957 1 . ARG 72 72 16957 1 . ALA 73 73 16957 1 . TYR 74 74 16957 1 . LYS 75 75 16957 1 . SER 76 76 16957 1 . GLY 77 77 16957 1 . ASP 78 78 16957 1 . PRO 79 79 16957 1 . ALA 80 80 16957 1 . GLY 81 81 16957 1 . TYR 82 82 16957 1 . VAL 83 83 16957 1 . LYS 84 84 16957 1 . LYS 85 85 16957 1 . THR 86 86 16957 1 . LEU 87 87 16957 1 . TYR 88 88 16957 1 . GLU 89 89 16957 1 . ILE 90 90 16957 1 . PRO 91 91 16957 1 . ALA 92 92 16957 1 . LEU 93 93 16957 1 . VAL 94 94 16957 1 . PRO 95 95 16957 1 . ALA 96 96 16957 1 . GLY 97 97 16957 1 . LEU 98 98 16957 1 . LEU 99 99 16957 1 . ALA 100 100 16957 1 . LEU 101 101 16957 1 . ILE 102 102 16957 1 . GLU 103 103 16957 1 . GLY 104 104 16957 1 . HIS 105 105 16957 1 . LEU 106 106 16957 1 . ALA 107 107 16957 1 . GLY 108 108 16957 1 . LEU 109 109 16957 1 . GLY 110 110 16957 1 . LEU 111 111 16957 1 . PHE 112 112 16957 1 . ARG 113 113 16957 1 . LEU 114 114 16957 1 . VAL 115 115 16957 1 . ARG 116 116 16957 1 . LEU 117 117 16957 1 . LEU 118 118 16957 1 . ARG 119 119 16957 1 . PHE 120 120 16957 1 . LEU 121 121 16957 1 . ARG 122 122 16957 1 . ILE 123 123 16957 1 . LEU 124 124 16957 1 . LEU 125 125 16957 1 . ILE 126 126 16957 1 . ILE 127 127 16957 1 . SER 128 128 16957 1 . ARG 129 129 16957 1 . GLY 130 130 16957 1 . SER 131 131 16957 1 . LYS 132 132 16957 1 . PHE 133 133 16957 1 . LEU 134 134 16957 1 . SER 135 135 16957 1 . ALA 136 136 16957 1 . ILE 137 137 16957 1 . ALA 138 138 16957 1 . ASP 139 139 16957 1 . ALA 140 140 16957 1 . ALA 141 141 16957 1 . ASP 142 142 16957 1 . LYS 143 143 16957 1 . LEU 144 144 16957 1 . VAL 145 145 16957 1 . PRO 146 146 16957 1 . ARG 147 147 16957 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 16957 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 56636 organism . 'Aeropyrum pernix' 'Aeropyrum pernix' . . Archaea . Aeropyrum pernix . . . . . . . . . . . . . . . . . . . . . 16957 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 16957 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE60 . . . . . . 16957 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_N _Sample.Sf_category sample _Sample.Sf_framecode sample_N _Sample.Entry_ID 16957 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 KvAP '[U-98% 15N]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 1 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 1 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 1 stop_ save_ save_sample_Nd2o _Sample.Sf_category sample _Sample.Sf_framecode sample_Nd2o _Sample.Entry_ID 16957 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% 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 KvAP '[U-98% 15N]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 2 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 2 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 2 5 D2O 'natural abundance' . . . . . . 99 . . % . . . . 16957 2 stop_ save_ save_sample_DCN _Sample.Sf_category sample _Sample.Sf_framecode sample_DCN _Sample.Entry_ID 16957 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 KvAP '[U-100% 13C; U-100% 15N; U-50% 2H]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 3 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 3 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 3 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 3 stop_ save_ save_sample_CN _Sample.Sf_category sample _Sample.Sf_framecode sample_CN _Sample.Entry_ID 16957 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% 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 KvAP '[U-98% 13C; U-98% 15N]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 4 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 4 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 4 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 4 5 D2O 'natural abundance' . . . . . . 99 . . % . . . . 16957 4 stop_ save_ save_sample_methyl _Sample.Sf_category sample _Sample.Sf_framecode sample_methyl _Sample.Entry_ID 16957 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 KvAP [13CH3/12CD2]-Leu,Val;[13CH3]-Ile . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 5 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 5 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 5 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 5 stop_ save_ save_sample_Arg _Sample.Sf_category sample _Sample.Sf_framecode sample_Arg _Sample.Entry_ID 16957 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 KvAP '[U-98% 13C; U-98% 15N]-Arg' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 6 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 6 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 6 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 6 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 6 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 6 stop_ save_ save_sample_LGA _Sample.Sf_category sample _Sample.Sf_framecode sample_LGA _Sample.Entry_ID 16957 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 KvAP '[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 7 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 7 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 7 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 7 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 7 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 7 stop_ save_ save_sample_ILV _Sample.Sf_category sample _Sample.Sf_framecode sample_ILV _Sample.Entry_ID 16957 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 KvAP '[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 8 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 8 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 8 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 8 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 8 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 8 stop_ save_ save_sample_10C _Sample.Sf_category sample _Sample.Sf_framecode sample_10C _Sample.Entry_ID 16957 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% 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 KvAP '[U-10% 13C]' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 9 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 9 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 9 4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 9 5 D2O 'natural abundance' . . . . . . 99 . . % . . . . 16957 9 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 16957 _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 'ionic strength' 40 . mM 16957 1 pH 7.0 . pH 16957 1 pressure 1 . atm 16957 1 temperature 318 . K 16957 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16957 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16957 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16957 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16957 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16957 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16957 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16957 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16957 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16957 3 'peak picking' 16957 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 16957 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16957 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16957 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16957 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16957 _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 Bruker DMX . 900 . . . 16957 1 2 spectrometer_2 Bruker DMX . 800 . . . 16957 1 3 spectrometer_3 Bruker DMX . 700 . . . 16957 1 4 spectrometer_4 Bruker DMX . 600 . . . 16957 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 16957 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 2 '3D TROSY HNCO' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 3 '3D TROSY HNCA' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 4 '3D TROSY HN(CO)CA' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 5 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 6 '3D TROSY HNCACB' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_methyl isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_Nd2o isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 12 '2D HN(CO)' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 13 '2D H(N)CO' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 14 '2D HN(CA)' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 15 '2D H(N)CA' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 16 '2D HN(CO)' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 17 '2D H(N)CO' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 18 '2D HN(CA)' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 19 '2D H(N)CA' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 22 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_Arg isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 23 '2D HN(CA)' no . . . . . . . . . . 6 $sample_Arg isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 24 '2D H(N)CA' no . . . . . . . . . . 6 $sample_Arg isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 25 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 26 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_Nd2o isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 27 '3D 1H-13C NOESYaro' no . . . . . . . . . . 4 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 28 '2D 1H-13C HSQC' no . . . . . . . . . . 9 $sample_10C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16957 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16957 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16957 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16957 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 16957 _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 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 2 '3D TROSY HNCO' . . . 16957 1 3 '3D TROSY HNCA' . . . 16957 1 4 '3D TROSY HN(CO)CA' . . . 16957 1 6 '3D TROSY HNCACB' . . . 16957 1 10 '2D 1H-15N HSQC' . . . 16957 1 26 '3D 1H-15N NOESY' . . . 16957 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16957 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 6 6 ASP C C 13 176.663 0.2 . 1 . . . . 10 D C . 16957 1 2 . 1 1 6 6 ASP CA C 13 54.380 0.2 . 1 . . . . 10 D CA . 16957 1 3 . 1 1 6 6 ASP CB C 13 40.673 0.2 . 1 . . . . 10 D CB . 16957 1 4 . 1 1 7 7 LEU H H 1 7.983 0.05 . 1 . . . . 11 L H . 16957 1 5 . 1 1 7 7 LEU C C 13 178.032 0.2 . 1 . . . . 11 L C . 16957 1 6 . 1 1 7 7 LEU CA C 13 55.649 0.2 . 1 . . . . 11 L CA . 16957 1 7 . 1 1 7 7 LEU CB C 13 41.040 0.2 . 1 . . . . 11 L CB . 16957 1 8 . 1 1 7 7 LEU N N 15 121.525 0.1 . 1 . . . . 11 L N . 16957 1 9 . 1 1 8 8 GLY H H 1 8.241 0.05 . 1 . . . . 12 G H . 16957 1 10 . 1 1 8 8 GLY C C 13 174.993 0.2 . 1 . . . . 12 G C . 16957 1 11 . 1 1 8 8 GLY CA C 13 45.573 0.2 . 1 . . . . 12 G CA . 16957 1 12 . 1 1 8 8 GLY N N 15 107.867 0.1 . 1 . . . . 12 G N . 16957 1 13 . 1 1 9 9 GLY H H 1 8.086 0.05 . 1 . . . . 13 G H . 16957 1 14 . 1 1 9 9 GLY C C 13 174.501 0.2 . 1 . . . . 13 G C . 16957 1 15 . 1 1 9 9 GLY CA C 13 45.298 0.2 . 1 . . . . 13 G CA . 16957 1 16 . 1 1 9 9 GLY N N 15 108.442 0.1 . 1 . . . . 13 G N . 16957 1 17 . 1 1 10 10 ARG H H 1 7.965 0.05 . 1 . . . . 14 R H . 16957 1 18 . 1 1 10 10 ARG C C 13 176.518 0.2 . 1 . . . . 14 R C . 16957 1 19 . 1 1 10 10 ARG CA C 13 56.092 0.2 . 1 . . . . 14 R CA . 16957 1 20 . 1 1 10 10 ARG CB C 13 29.995 0.2 . 1 . . . . 14 R CB . 16957 1 21 . 1 1 10 10 ARG N N 15 120.077 0.1 . 1 . . . . 14 R N . 16957 1 22 . 1 1 11 11 VAL H H 1 7.911 0.05 . 1 . . . . 15 V H . 16957 1 23 . 1 1 11 11 VAL C C 13 175.952 0.2 . 1 . . . . 15 V C . 16957 1 24 . 1 1 11 11 VAL CA C 13 62.222 0.2 . 1 . . . . 15 V CA . 16957 1 25 . 1 1 11 11 VAL CB C 13 31.634 0.2 . 1 . . . . 15 V CB . 16957 1 26 . 1 1 11 11 VAL N N 15 119.482 0.1 . 1 . . . . 15 V N . 16957 1 27 . 1 1 12 12 ARG H H 1 8.405 0.05 . 1 . . . . 16 R H . 16957 1 28 . 1 1 12 12 ARG C C 13 176.036 0.2 . 1 . . . . 16 R C . 16957 1 29 . 1 1 12 12 ARG CA C 13 56.275 0.2 . 1 . . . . 16 R CA . 16957 1 30 . 1 1 12 12 ARG CB C 13 30.226 0.2 . 1 . . . . 16 R CB . 16957 1 31 . 1 1 12 12 ARG N N 15 123.794 0.1 . 1 . . . . 16 R N . 16957 1 32 . 1 1 13 13 ASN H H 1 8.199 0.05 . 1 . . . . 17 N H . 16957 1 33 . 1 1 13 13 ASN HD21 H 1 6.802 0.05 . 2 . . . . 17 N HD21 . 16957 1 34 . 1 1 13 13 ASN HD22 H 1 7.597 0.05 . 2 . . . . 17 N HD22 . 16957 1 35 . 1 1 13 13 ASN C C 13 175.827 0.2 . 1 . . . . 17 N C . 16957 1 36 . 1 1 13 13 ASN CA C 13 52.742 0.2 . 1 . . . . 17 N CA . 16957 1 37 . 1 1 13 13 ASN CB C 13 39.126 0.2 . 1 . . . . 17 N CB . 16957 1 38 . 1 1 13 13 ASN CG C 13 176.971 0.2 . 1 . . . . 17 N CG . 16957 1 39 . 1 1 13 13 ASN N N 15 118.195 0.1 . 1 . . . . 17 N N . 16957 1 40 . 1 1 13 13 ASN ND2 N 15 113.453 0.1 . 1 . . . . 17 N ND2 . 16957 1 41 . 1 1 14 14 ILE H H 1 8.341 0.05 . 1 . . . . 18 I H . 16957 1 42 . 1 1 14 14 ILE C C 13 176.812 0.2 . 1 . . . . 18 I C . 16957 1 43 . 1 1 14 14 ILE CA C 13 62.289 0.2 . 1 . . . . 18 I CA . 16957 1 44 . 1 1 14 14 ILE CB C 13 39.060 0.2 . 1 . . . . 18 I CB . 16957 1 45 . 1 1 14 14 ILE N N 15 120.723 0.1 . 1 . . . . 18 I N . 16957 1 46 . 1 1 15 15 GLY H H 1 8.463 0.05 . 1 . . . . 19 G H . 16957 1 47 . 1 1 15 15 GLY C C 13 174.591 0.2 . 1 . . . . 19 G C . 16957 1 48 . 1 1 15 15 GLY CA C 13 46.252 0.2 . 1 . . . . 19 G CA . 16957 1 49 . 1 1 15 15 GLY N N 15 110.784 0.1 . 1 . . . . 19 G N . 16957 1 50 . 1 1 16 16 ASP H H 1 7.791 0.05 . 1 . . . . 20 D H . 16957 1 51 . 1 1 16 16 ASP C C 13 177.662 0.2 . 1 . . . . 20 D C . 16957 1 52 . 1 1 16 16 ASP CA C 13 55.494 0.2 . 1 . . . . 20 D CA . 16957 1 53 . 1 1 16 16 ASP CB C 13 40.630 0.2 . 1 . . . . 20 D CB . 16957 1 54 . 1 1 16 16 ASP N N 15 119.798 0.1 . 1 . . . . 20 D N . 16957 1 55 . 1 1 17 17 VAL H H 1 7.521 0.05 . 1 . . . . 21 V H . 16957 1 56 . 1 1 17 17 VAL CA C 13 63.803 0.2 . 1 . . . . 21 V CA . 16957 1 57 . 1 1 17 17 VAL CB C 13 31.629 0.2 . 1 . . . . 21 V CB . 16957 1 58 . 1 1 17 17 VAL N N 15 117.871 0.1 . 1 . . . . 21 V N . 16957 1 59 . 1 1 18 18 MET H H 1 7.799 0.05 . 1 . . . . 22 M H . 16957 1 60 . 1 1 18 18 MET C C 13 176.676 0.2 . 1 . . . . 22 M C . 16957 1 61 . 1 1 18 18 MET CA C 13 54.822 0.2 . 1 . . . . 22 M CA . 16957 1 62 . 1 1 18 18 MET N N 15 115.784 0.1 . 1 . . . . 22 M N . 16957 1 63 . 1 1 19 19 GLU H H 1 7.678 0.05 . 1 . . . . 23 E H . 16957 1 64 . 1 1 19 19 GLU C C 13 176.192 0.2 . 1 . . . . 23 E C . 16957 1 65 . 1 1 19 19 GLU CA C 13 55.214 0.2 . 1 . . . . 23 E CA . 16957 1 66 . 1 1 19 19 GLU N N 15 116.127 0.1 . 1 . . . . 23 E N . 16957 1 67 . 1 1 20 20 HIS H H 1 7.799 0.05 . 1 . . . . 24 H H . 16957 1 68 . 1 1 20 20 HIS CA C 13 55.621 0.2 . 1 . . . . 24 H CA . 16957 1 69 . 1 1 20 20 HIS N N 15 123.218 0.1 . 1 . . . . 24 H N . 16957 1 70 . 1 1 22 22 LEU C C 13 179.381 0.2 . 1 . . . . 26 L C . 16957 1 71 . 1 1 23 23 VAL H H 1 7.686 0.05 . 1 . . . . 27 V H . 16957 1 72 . 1 1 23 23 VAL C C 13 177.500 0.2 . 1 . . . . 27 V C . 16957 1 73 . 1 1 23 23 VAL CA C 13 66.238 0.2 . 1 . . . . 27 V CA . 16957 1 74 . 1 1 23 23 VAL N N 15 120.396 0.1 . 1 . . . . 27 V N . 16957 1 75 . 1 1 24 24 GLU H H 1 8.221 0.05 . 1 . . . . 28 E H . 16957 1 76 . 1 1 24 24 GLU C C 13 180.029 0.2 . 1 . . . . 28 E C . 16957 1 77 . 1 1 24 24 GLU CA C 13 59.488 0.2 . 1 . . . . 28 E CA . 16957 1 78 . 1 1 24 24 GLU N N 15 119.291 0.1 . 1 . . . . 28 E N . 16957 1 79 . 1 1 25 25 LEU H H 1 8.078 0.05 . 1 . . . . 29 L H . 16957 1 80 . 1 1 25 25 LEU C C 13 178.763 0.2 . 1 . . . . 29 L C . 16957 1 81 . 1 1 25 25 LEU CA C 13 57.191 0.2 . 1 . . . . 29 L CA . 16957 1 82 . 1 1 25 25 LEU N N 15 120.200 0.1 . 1 . . . . 29 L N . 16957 1 83 . 1 1 26 26 GLY H H 1 8.299 0.05 . 1 . . . . 30 G H . 16957 1 84 . 1 1 26 26 GLY CA C 13 47.501 0.2 . 1 . . . . 30 G CA . 16957 1 85 . 1 1 26 26 GLY N N 15 108.552 0.1 . 1 . . . . 30 G N . 16957 1 86 . 1 1 27 27 VAL H H 1 8.773 0.05 . 1 . . . . 31 V H . 16957 1 87 . 1 1 27 27 VAL C C 13 178.041 0.2 . 1 . . . . 31 V C . 16957 1 88 . 1 1 27 27 VAL CA C 13 66.745 0.2 . 1 . . . . 31 V CA . 16957 1 89 . 1 1 27 27 VAL N N 15 122.413 0.1 . 1 . . . . 31 V N . 16957 1 90 . 1 1 28 28 SER H H 1 7.979 0.05 . 1 . . . . 32 S H . 16957 1 91 . 1 1 28 28 SER C C 13 176.438 0.2 . 1 . . . . 32 S C . 16957 1 92 . 1 1 28 28 SER CA C 13 62.847 0.2 . 1 . . . . 32 S CA . 16957 1 93 . 1 1 28 28 SER N N 15 117.074 0.1 . 1 . . . . 32 S N . 16957 1 94 . 1 1 29 29 TYR H H 1 8.409 0.05 . 1 . . . . 33 Y H . 16957 1 95 . 1 1 29 29 TYR C C 13 178.160 0.2 . 1 . . . . 33 Y C . 16957 1 96 . 1 1 29 29 TYR CA C 13 60.159 0.2 . 1 . . . . 33 Y CA . 16957 1 97 . 1 1 29 29 TYR CB C 13 37.356 0.2 . 1 . . . . 33 Y CB . 16957 1 98 . 1 1 29 29 TYR N N 15 122.022 0.1 . 1 . . . . 33 Y N . 16957 1 99 . 1 1 30 30 ALA H H 1 8.654 0.05 . 1 . . . . 34 A H . 16957 1 100 . 1 1 30 30 ALA C C 13 179.483 0.2 . 1 . . . . 34 A C . 16957 1 101 . 1 1 30 30 ALA CA C 13 55.043 0.2 . 1 . . . . 34 A CA . 16957 1 102 . 1 1 30 30 ALA N N 15 122.169 0.1 . 1 . . . . 34 A N . 16957 1 103 . 1 1 31 31 ALA H H 1 8.808 0.05 . 1 . . . . 35 A H . 16957 1 104 . 1 1 31 31 ALA CA C 13 54.646 0.2 . 1 . . . . 35 A CA . 16957 1 105 . 1 1 31 31 ALA N N 15 120.414 0.1 . 1 . . . . 35 A N . 16957 1 106 . 1 1 32 32 LEU H H 1 8.251 0.05 . 1 . . . . 36 L H . 16957 1 107 . 1 1 32 32 LEU C C 13 179.080 0.2 . 1 . . . . 36 L C . 16957 1 108 . 1 1 32 32 LEU CA C 13 57.889 0.2 . 1 . . . . 36 L CA . 16957 1 109 . 1 1 32 32 LEU N N 15 121.083 0.1 . 1 . . . . 36 L N . 16957 1 110 . 1 1 33 33 LEU H H 1 8.677 0.05 . 1 . . . . 37 L H . 16957 1 111 . 1 1 33 33 LEU C C 13 178.095 0.2 . 1 . . . . 37 L C . 16957 1 112 . 1 1 33 33 LEU CA C 13 57.577 0.2 . 1 . . . . 37 L CA . 16957 1 113 . 1 1 33 33 LEU N N 15 119.096 0.1 . 1 . . . . 37 L N . 16957 1 114 . 1 1 35 35 VAL H H 1 7.537 0.05 . 1 . . . . 39 V H . 16957 1 115 . 1 1 35 35 VAL N N 15 122.668 0.1 . 1 . . . . 39 V N . 16957 1 116 . 1 1 36 36 ILE H H 1 7.521 0.05 . 1 . . . . 40 I H . 16957 1 117 . 1 1 36 36 ILE N N 15 119.341 0.1 . 1 . . . . 40 I N . 16957 1 118 . 1 1 37 37 VAL H H 1 8.362 0.05 . 1 . . . . 41 V H . 16957 1 119 . 1 1 37 37 VAL CA C 13 66.987 0.2 . 1 . . . . 41 V CA . 16957 1 120 . 1 1 37 37 VAL N N 15 116.305 0.1 . 1 . . . . 41 V N . 16957 1 121 . 1 1 38 38 VAL C C 13 178.007 0.2 . 1 . . . . 42 V C . 16957 1 122 . 1 1 39 39 VAL H H 1 7.832 0.05 . 1 . . . . 43 V H . 16957 1 123 . 1 1 39 39 VAL C C 13 179.365 0.2 . 1 . . . . 43 V C . 16957 1 124 . 1 1 39 39 VAL CA C 13 66.790 0.2 . 1 . . . . 43 V CA . 16957 1 125 . 1 1 39 39 VAL CB C 13 31.002 0.2 . 1 . . . . 43 V CB . 16957 1 126 . 1 1 39 39 VAL N N 15 121.119 0.1 . 1 . . . . 43 V N . 16957 1 127 . 1 1 40 40 VAL H H 1 8.550 0.05 . 1 . . . . 44 V H . 16957 1 128 . 1 1 40 40 VAL C C 13 177.155 0.2 . 1 . . . . 44 V C . 16957 1 129 . 1 1 40 40 VAL CA C 13 66.675 0.2 . 1 . . . . 44 V CA . 16957 1 130 . 1 1 40 40 VAL CB C 13 30.408 0.2 . 1 . . . . 44 V CB . 16957 1 131 . 1 1 40 40 VAL N N 15 121.874 0.1 . 1 . . . . 44 V N . 16957 1 132 . 1 1 41 41 GLU H H 1 8.134 0.05 . 1 . . . . 45 E H . 16957 1 133 . 1 1 41 41 GLU C C 13 177.820 0.2 . 1 . . . . 45 E C . 16957 1 134 . 1 1 41 41 GLU CA C 13 59.088 0.2 . 1 . . . . 45 E CA . 16957 1 135 . 1 1 41 41 GLU CB C 13 28.674 0.2 . 1 . . . . 45 E CB . 16957 1 136 . 1 1 41 41 GLU N N 15 120.039 0.1 . 1 . . . . 45 E N . 16957 1 137 . 1 1 42 42 TYR H H 1 7.772 0.05 . 1 . . . . 46 Y H . 16957 1 138 . 1 1 42 42 TYR C C 13 177.155 0.2 . 1 . . . . 46 Y C . 16957 1 139 . 1 1 42 42 TYR CA C 13 60.030 0.2 . 1 . . . . 46 Y CA . 16957 1 140 . 1 1 42 42 TYR N N 15 114.765 0.1 . 1 . . . . 46 Y N . 16957 1 141 . 1 1 43 43 THR H H 1 7.846 0.05 . 1 . . . . 47 T H . 16957 1 142 . 1 1 43 43 THR C C 13 175.592 0.2 . 1 . . . . 47 T C . 16957 1 143 . 1 1 43 43 THR CA C 13 63.191 0.2 . 1 . . . . 47 T CA . 16957 1 144 . 1 1 43 43 THR N N 15 106.985 0.1 . 1 . . . . 47 T N . 16957 1 145 . 1 1 44 44 MET H H 1 7.968 0.05 . 1 . . . . 48 M H . 16957 1 146 . 1 1 44 44 MET C C 13 175.042 0.2 . 1 . . . . 48 M C . 16957 1 147 . 1 1 44 44 MET CA C 13 55.334 0.2 . 1 . . . . 48 M CA . 16957 1 148 . 1 1 44 44 MET CB C 13 32.875 0.2 . 1 . . . . 48 M CB . 16957 1 149 . 1 1 44 44 MET N N 15 119.555 0.1 . 1 . . . . 48 M N . 16957 1 150 . 1 1 45 45 GLN H H 1 8.267 0.05 . 1 . . . . 49 Q H . 16957 1 151 . 1 1 45 45 GLN HE21 H 1 6.666 0.05 . 2 . . . . 49 Q HE21 . 16957 1 152 . 1 1 45 45 GLN HE22 H 1 7.386 0.05 . 2 . . . . 49 Q HE22 . 16957 1 153 . 1 1 45 45 GLN C C 13 175.402 0.2 . 1 . . . . 49 Q C . 16957 1 154 . 1 1 45 45 GLN CA C 13 55.297 0.2 . 1 . . . . 49 Q CA . 16957 1 155 . 1 1 45 45 GLN CD C 13 180.796 0.2 . 1 . . . . 49 Q CD . 16957 1 156 . 1 1 45 45 GLN CG C 13 33.376 0.2 . 1 . . . . 49 Q CG . 16957 1 157 . 1 1 45 45 GLN N N 15 120.335 0.1 . 1 . . . . 49 Q N . 16957 1 158 . 1 1 45 45 GLN NE2 N 15 112.253 0.1 . 1 . . . . 49 Q NE2 . 16957 1 159 . 1 1 46 46 LEU H H 1 8.111 0.05 . 1 . . . . 50 L H . 16957 1 160 . 1 1 46 46 LEU C C 13 176.395 0.2 . 1 . . . . 50 L C . 16957 1 161 . 1 1 46 46 LEU CA C 13 53.989 0.2 . 1 . . . . 50 L CA . 16957 1 162 . 1 1 46 46 LEU N N 15 122.962 0.1 . 1 . . . . 50 L N . 16957 1 163 . 1 1 47 47 SER H H 1 8.171 0.05 . 1 . . . . 51 S H . 16957 1 164 . 1 1 47 47 SER C C 13 175.209 0.2 . 1 . . . . 51 S C . 16957 1 165 . 1 1 47 47 SER CA C 13 56.868 0.2 . 1 . . . . 51 S CA . 16957 1 166 . 1 1 47 47 SER CB C 13 64.649 0.2 . 1 . . . . 51 S CB . 16957 1 167 . 1 1 47 47 SER N N 15 114.752 0.1 . 1 . . . . 51 S N . 16957 1 168 . 1 1 48 48 GLY H H 1 8.870 0.05 . 1 . . . . 52 G H . 16957 1 169 . 1 1 48 48 GLY C C 13 175.559 0.2 . 1 . . . . 52 G C . 16957 1 170 . 1 1 48 48 GLY CA C 13 47.221 0.2 . 1 . . . . 52 G CA . 16957 1 171 . 1 1 48 48 GLY N N 15 109.495 0.1 . 1 . . . . 52 G N . 16957 1 172 . 1 1 49 49 GLU H H 1 8.898 0.05 . 1 . . . . 53 E H . 16957 1 173 . 1 1 49 49 GLU C C 13 178.541 0.2 . 1 . . . . 53 E C . 16957 1 174 . 1 1 49 49 GLU CA C 13 59.008 0.2 . 1 . . . . 53 E CA . 16957 1 175 . 1 1 49 49 GLU N N 15 121.960 0.1 . 1 . . . . 53 E N . 16957 1 176 . 1 1 50 50 TYR H H 1 7.741 0.05 . 1 . . . . 54 Y H . 16957 1 177 . 1 1 50 50 TYR C C 13 177.540 0.2 . 1 . . . . 54 Y C . 16957 1 178 . 1 1 50 50 TYR CA C 13 60.347 0.2 . 1 . . . . 54 Y CA . 16957 1 179 . 1 1 50 50 TYR CB C 13 37.310 0.2 . 1 . . . . 54 Y CB . 16957 1 180 . 1 1 50 50 TYR N N 15 118.511 0.1 . 1 . . . . 54 Y N . 16957 1 181 . 1 1 51 51 LEU H H 1 7.763 0.05 . 1 . . . . 55 L H . 16957 1 182 . 1 1 51 51 LEU C C 13 177.764 0.2 . 1 . . . . 55 L C . 16957 1 183 . 1 1 51 51 LEU CA C 13 57.137 0.2 . 1 . . . . 55 L CA . 16957 1 184 . 1 1 51 51 LEU CB C 13 40.504 0.2 . 1 . . . . 55 L CB . 16957 1 185 . 1 1 51 51 LEU N N 15 121.528 0.1 . 1 . . . . 55 L N . 16957 1 186 . 1 1 52 52 VAL H H 1 7.771 0.05 . 1 . . . . 56 V H . 16957 1 187 . 1 1 52 52 VAL C C 13 177.835 0.2 . 1 . . . . 56 V C . 16957 1 188 . 1 1 52 52 VAL CA C 13 67.079 0.2 . 1 . . . . 56 V CA . 16957 1 189 . 1 1 52 52 VAL CB C 13 30.540 0.2 . 1 . . . . 56 V CB . 16957 1 190 . 1 1 52 52 VAL N N 15 116.624 0.1 . 1 . . . . 56 V N . 16957 1 191 . 1 1 53 53 ARG H H 1 7.461 0.05 . 1 . . . . 57 R H . 16957 1 192 . 1 1 53 53 ARG C C 13 177.779 0.2 . 1 . . . . 57 R C . 16957 1 193 . 1 1 53 53 ARG CA C 13 60.013 0.2 . 1 . . . . 57 R CA . 16957 1 194 . 1 1 53 53 ARG CB C 13 29.366 0.2 . 1 . . . . 57 R CB . 16957 1 195 . 1 1 53 53 ARG N N 15 116.740 0.1 . 1 . . . . 57 R N . 16957 1 196 . 1 1 54 54 LEU H H 1 7.957 0.05 . 1 . . . . 58 L H . 16957 1 197 . 1 1 54 54 LEU C C 13 178.828 0.2 . 1 . . . . 58 L C . 16957 1 198 . 1 1 54 54 LEU CA C 13 58.516 0.2 . 1 . . . . 58 L CA . 16957 1 199 . 1 1 54 54 LEU CB C 13 40.782 0.2 . 1 . . . . 58 L CB . 16957 1 200 . 1 1 54 54 LEU N N 15 120.427 0.1 . 1 . . . . 58 L N . 16957 1 201 . 1 1 55 55 TYR H H 1 8.311 0.05 . 1 . . . . 59 Y H . 16957 1 202 . 1 1 55 55 TYR C C 13 179.668 0.2 . 1 . . . . 59 Y C . 16957 1 203 . 1 1 55 55 TYR CA C 13 58.283 0.2 . 1 . . . . 59 Y CA . 16957 1 204 . 1 1 55 55 TYR CB C 13 35.587 0.2 . 1 . . . . 59 Y CB . 16957 1 205 . 1 1 55 55 TYR N N 15 116.695 0.1 . 1 . . . . 59 Y N . 16957 1 206 . 1 1 56 56 LEU H H 1 8.433 0.05 . 1 . . . . 60 L H . 16957 1 207 . 1 1 56 56 LEU C C 13 177.988 0.2 . 1 . . . . 60 L C . 16957 1 208 . 1 1 56 56 LEU CA C 13 57.783 0.2 . 1 . . . . 60 L CA . 16957 1 209 . 1 1 56 56 LEU CB C 13 40.736 0.2 . 1 . . . . 60 L CB . 16957 1 210 . 1 1 56 56 LEU N N 15 123.646 0.1 . 1 . . . . 60 L N . 16957 1 211 . 1 1 57 57 VAL H H 1 8.175 0.05 . 1 . . . . 61 V H . 16957 1 212 . 1 1 57 57 VAL C C 13 177.540 0.2 . 1 . . . . 61 V C . 16957 1 213 . 1 1 57 57 VAL CA C 13 66.940 0.2 . 1 . . . . 61 V CA . 16957 1 214 . 1 1 57 57 VAL CB C 13 30.164 0.2 . 1 . . . . 61 V CB . 16957 1 215 . 1 1 57 57 VAL N N 15 119.714 0.1 . 1 . . . . 61 V N . 16957 1 216 . 1 1 58 58 ASP H H 1 8.444 0.05 . 1 . . . . 62 D H . 16957 1 217 . 1 1 58 58 ASP C C 13 176.369 0.2 . 1 . . . . 62 D C . 16957 1 218 . 1 1 58 58 ASP CA C 13 58.065 0.2 . 1 . . . . 62 D CA . 16957 1 219 . 1 1 58 58 ASP CB C 13 42.653 0.2 . 1 . . . . 62 D CB . 16957 1 220 . 1 1 58 58 ASP N N 15 118.064 0.1 . 1 . . . . 62 D N . 16957 1 221 . 1 1 59 59 LEU H H 1 7.724 0.05 . 1 . . . . 63 L H . 16957 1 222 . 1 1 59 59 LEU CA C 13 57.861 0.2 . 1 . . . . 63 L CA . 16957 1 223 . 1 1 59 59 LEU CB C 13 41.001 0.2 . 1 . . . . 63 L CB . 16957 1 224 . 1 1 59 59 LEU N N 15 117.345 0.1 . 1 . . . . 63 L N . 16957 1 225 . 1 1 60 60 ILE H H 1 7.740 0.05 . 1 . . . . 64 I H . 16957 1 226 . 1 1 60 60 ILE N N 15 117.213 0.1 . 1 . . . . 64 I N . 16957 1 227 . 1 1 61 61 LEU H H 1 8.013 0.05 . 1 . . . . 65 L H . 16957 1 228 . 1 1 61 61 LEU N N 15 117.362 0.1 . 1 . . . . 65 L N . 16957 1 229 . 1 1 62 62 VAL H H 1 8.747 0.05 . 1 . . . . 66 V H . 16957 1 230 . 1 1 62 62 VAL N N 15 116.751 0.1 . 1 . . . . 66 V N . 16957 1 231 . 1 1 63 63 ILE H H 1 8.084 0.05 . 1 . . . . 67 I H . 16957 1 232 . 1 1 63 63 ILE N N 15 121.694 0.1 . 1 . . . . 67 I N . 16957 1 233 . 1 1 64 64 ILE H H 1 7.564 0.05 . 1 . . . . 68 I H . 16957 1 234 . 1 1 64 64 ILE N N 15 119.428 0.1 . 1 . . . . 68 I N . 16957 1 235 . 1 1 65 65 LEU H H 1 8.082 0.05 . 1 . . . . 69 L H . 16957 1 236 . 1 1 65 65 LEU N N 15 118.286 0.1 . 1 . . . . 69 L N . 16957 1 237 . 1 1 66 66 TRP H H 1 9.662 0.05 . 1 . . . . 70 W H . 16957 1 238 . 1 1 66 66 TRP HE1 H 1 10.236 0.05 . 1 . . . . 70 W HE1 . 16957 1 239 . 1 1 66 66 TRP C C 13 178.158 0.2 . 1 . . . . 70 W C . 16957 1 240 . 1 1 66 66 TRP CA C 13 60.421 0.2 . 1 . . . . 70 W CA . 16957 1 241 . 1 1 66 66 TRP CB C 13 32.202 0.2 . 1 . . . . 70 W CB . 16957 1 242 . 1 1 66 66 TRP N N 15 124.059 0.1 . 1 . . . . 70 W N . 16957 1 243 . 1 1 66 66 TRP NE1 N 15 127.938 0.1 . 1 . . . . 70 W NE1 . 16957 1 244 . 1 1 67 67 ALA H H 1 8.297 0.05 . 1 . . . . 71 A H . 16957 1 245 . 1 1 67 67 ALA C C 13 178.810 0.2 . 1 . . . . 71 A C . 16957 1 246 . 1 1 67 67 ALA CA C 13 55.346 0.2 . 1 . . . . 71 A CA . 16957 1 247 . 1 1 67 67 ALA CB C 13 16.792 0.2 . 1 . . . . 71 A CB . 16957 1 248 . 1 1 67 67 ALA N N 15 121.805 0.1 . 1 . . . . 71 A N . 16957 1 249 . 1 1 68 68 ASP H H 1 7.771 0.05 . 1 . . . . 72 D H . 16957 1 250 . 1 1 68 68 ASP C C 13 176.605 0.2 . 1 . . . . 72 D C . 16957 1 251 . 1 1 68 68 ASP CA C 13 57.377 0.2 . 1 . . . . 72 D CA . 16957 1 252 . 1 1 68 68 ASP CB C 13 43.238 0.2 . 1 . . . . 72 D CB . 16957 1 253 . 1 1 68 68 ASP N N 15 116.246 0.1 . 1 . . . . 72 D N . 16957 1 254 . 1 1 69 69 TYR H H 1 8.262 0.05 . 1 . . . . 73 Y H . 16957 1 255 . 1 1 69 69 TYR C C 13 177.119 0.2 . 1 . . . . 73 Y C . 16957 1 256 . 1 1 69 69 TYR CA C 13 61.900 0.2 . 1 . . . . 73 Y CA . 16957 1 257 . 1 1 69 69 TYR CB C 13 39.518 0.2 . 1 . . . . 73 Y CB . 16957 1 258 . 1 1 69 69 TYR N N 15 120.892 0.1 . 1 . . . . 73 Y N . 16957 1 259 . 1 1 70 70 ALA H H 1 9.115 0.05 . 1 . . . . 74 A H . 16957 1 260 . 1 1 70 70 ALA C C 13 179.298 0.2 . 1 . . . . 74 A C . 16957 1 261 . 1 1 70 70 ALA CA C 13 54.503 0.2 . 1 . . . . 74 A CA . 16957 1 262 . 1 1 70 70 ALA CB C 13 17.434 0.2 . 1 . . . . 74 A CB . 16957 1 263 . 1 1 70 70 ALA N N 15 118.861 0.1 . 1 . . . . 74 A N . 16957 1 264 . 1 1 71 71 TYR H H 1 8.360 0.05 . 1 . . . . 75 Y H . 16957 1 265 . 1 1 71 71 TYR C C 13 177.262 0.2 . 1 . . . . 75 Y C . 16957 1 266 . 1 1 71 71 TYR CA C 13 61.717 0.2 . 1 . . . . 75 Y CA . 16957 1 267 . 1 1 71 71 TYR CB C 13 37.626 0.2 . 1 . . . . 75 Y CB . 16957 1 268 . 1 1 71 71 TYR N N 15 118.186 0.1 . 1 . . . . 75 Y N . 16957 1 269 . 1 1 72 72 ARG H H 1 8.165 0.05 . 1 . . . . 76 R H . 16957 1 270 . 1 1 72 72 ARG C C 13 179.322 0.2 . 1 . . . . 76 R C . 16957 1 271 . 1 1 72 72 ARG CA C 13 59.686 0.2 . 1 . . . . 76 R CA . 16957 1 272 . 1 1 72 72 ARG CB C 13 27.937 0.2 . 1 . . . . 76 R CB . 16957 1 273 . 1 1 72 72 ARG N N 15 119.408 0.1 . 1 . . . . 76 R N . 16957 1 274 . 1 1 73 73 ALA H H 1 8.106 0.05 . 1 . . . . 77 A H . 16957 1 275 . 1 1 73 73 ALA C C 13 180.987 0.2 . 1 . . . . 77 A C . 16957 1 276 . 1 1 73 73 ALA CA C 13 54.225 0.2 . 1 . . . . 77 A CA . 16957 1 277 . 1 1 73 73 ALA CB C 13 16.212 0.2 . 1 . . . . 77 A CB . 16957 1 278 . 1 1 73 73 ALA N N 15 122.026 0.1 . 1 . . . . 77 A N . 16957 1 279 . 1 1 74 74 TYR H H 1 8.403 0.05 . 1 . . . . 78 Y H . 16957 1 280 . 1 1 74 74 TYR C C 13 178.912 0.2 . 1 . . . . 78 Y C . 16957 1 281 . 1 1 74 74 TYR CA C 13 61.462 0.2 . 1 . . . . 78 Y CA . 16957 1 282 . 1 1 74 74 TYR CB C 13 37.523 0.2 . 1 . . . . 78 Y CB . 16957 1 283 . 1 1 74 74 TYR N N 15 120.196 0.1 . 1 . . . . 78 Y N . 16957 1 284 . 1 1 75 75 LYS H H 1 8.591 0.05 . 1 . . . . 79 K H . 16957 1 285 . 1 1 75 75 LYS C C 13 177.804 0.2 . 1 . . . . 79 K C . 16957 1 286 . 1 1 75 75 LYS CA C 13 57.175 0.2 . 1 . . . . 79 K CA . 16957 1 287 . 1 1 75 75 LYS CB C 13 30.233 0.2 . 1 . . . . 79 K CB . 16957 1 288 . 1 1 75 75 LYS N N 15 121.661 0.1 . 1 . . . . 79 K N . 16957 1 289 . 1 1 76 76 SER H H 1 7.089 0.05 . 1 . . . . 80 S H . 16957 1 290 . 1 1 76 76 SER C C 13 175.495 0.2 . 1 . . . . 80 S C . 16957 1 291 . 1 1 76 76 SER CA C 13 60.323 0.2 . 1 . . . . 80 S CA . 16957 1 292 . 1 1 76 76 SER CB C 13 63.702 0.2 . 1 . . . . 80 S CB . 16957 1 293 . 1 1 76 76 SER N N 15 113.542 0.1 . 1 . . . . 80 S N . 16957 1 294 . 1 1 77 77 GLY H H 1 7.265 0.05 . 1 . . . . 81 G H . 16957 1 295 . 1 1 77 77 GLY C C 13 173.328 0.2 . 1 . . . . 81 G C . 16957 1 296 . 1 1 77 77 GLY CA C 13 44.928 0.2 . 1 . . . . 81 G CA . 16957 1 297 . 1 1 77 77 GLY N N 15 109.521 0.1 . 1 . . . . 81 G N . 16957 1 298 . 1 1 78 78 ASP H H 1 7.736 0.05 . 1 . . . . 82 D H . 16957 1 299 . 1 1 78 78 ASP CA C 13 51.192 0.2 . 1 . . . . 82 D CA . 16957 1 300 . 1 1 78 78 ASP CB C 13 39.791 0.2 . 1 . . . . 82 D CB . 16957 1 301 . 1 1 78 78 ASP N N 15 116.612 0.1 . 1 . . . . 82 D N . 16957 1 302 . 1 1 79 79 PRO C C 13 177.467 0.2 . 1 . . . . 83 P C . 16957 1 303 . 1 1 79 79 PRO CA C 13 65.097 0.2 . 1 . . . . 83 P CA . 16957 1 304 . 1 1 79 79 PRO CB C 13 30.968 0.2 . 1 . . . . 83 P CB . 16957 1 305 . 1 1 80 80 ALA H H 1 8.168 0.05 . 1 . . . . 84 A H . 16957 1 306 . 1 1 80 80 ALA C C 13 180.295 0.2 . 1 . . . . 84 A C . 16957 1 307 . 1 1 80 80 ALA CA C 13 55.005 0.2 . 1 . . . . 84 A CA . 16957 1 308 . 1 1 80 80 ALA CB C 13 17.584 0.2 . 1 . . . . 84 A CB . 16957 1 309 . 1 1 80 80 ALA N N 15 118.273 0.1 . 1 . . . . 84 A N . 16957 1 310 . 1 1 81 81 GLY H H 1 7.694 0.05 . 1 . . . . 85 G H . 16957 1 311 . 1 1 81 81 GLY C C 13 176.532 0.2 . 1 . . . . 85 G C . 16957 1 312 . 1 1 81 81 GLY CA C 13 46.810 0.2 . 1 . . . . 85 G CA . 16957 1 313 . 1 1 81 81 GLY N N 15 106.781 0.1 . 1 . . . . 85 G N . 16957 1 314 . 1 1 82 82 TYR H H 1 8.605 0.05 . 1 . . . . 86 Y H . 16957 1 315 . 1 1 82 82 TYR C C 13 179.467 0.2 . 1 . . . . 86 Y C . 16957 1 316 . 1 1 82 82 TYR CA C 13 62.086 0.2 . 1 . . . . 86 Y CA . 16957 1 317 . 1 1 82 82 TYR CB C 13 38.263 0.2 . 1 . . . . 86 Y CB . 16957 1 318 . 1 1 82 82 TYR N N 15 124.586 0.1 . 1 . . . . 86 Y N . 16957 1 319 . 1 1 83 83 VAL H H 1 8.099 0.05 . 1 . . . . 87 V H . 16957 1 320 . 1 1 83 83 VAL C C 13 177.434 0.2 . 1 . . . . 87 V C . 16957 1 321 . 1 1 83 83 VAL CA C 13 64.823 0.2 . 1 . . . . 87 V CA . 16957 1 322 . 1 1 83 83 VAL CB C 13 30.864 0.2 . 1 . . . . 87 V CB . 16957 1 323 . 1 1 83 83 VAL N N 15 121.152 0.1 . 1 . . . . 87 V N . 16957 1 324 . 1 1 84 84 LYS H H 1 7.231 0.05 . 1 . . . . 88 K H . 16957 1 325 . 1 1 84 84 LYS C C 13 178.465 0.2 . 1 . . . . 88 K C . 16957 1 326 . 1 1 84 84 LYS CA C 13 59.375 0.2 . 1 . . . . 88 K CA . 16957 1 327 . 1 1 84 84 LYS CB C 13 31.444 0.2 . 1 . . . . 88 K CB . 16957 1 328 . 1 1 84 84 LYS N N 15 115.366 0.1 . 1 . . . . 88 K N . 16957 1 329 . 1 1 85 85 LYS H H 1 7.323 0.05 . 1 . . . . 89 K H . 16957 1 330 . 1 1 85 85 LYS C C 13 177.599 0.2 . 1 . . . . 89 K C . 16957 1 331 . 1 1 85 85 LYS CA C 13 57.151 0.2 . 1 . . . . 89 K CA . 16957 1 332 . 1 1 85 85 LYS CB C 13 32.342 0.2 . 1 . . . . 89 K CB . 16957 1 333 . 1 1 85 85 LYS N N 15 115.808 0.1 . 1 . . . . 89 K N . 16957 1 334 . 1 1 86 86 THR H H 1 7.520 0.05 . 1 . . . . 90 T H . 16957 1 335 . 1 1 86 86 THR C C 13 175.212 0.2 . 1 . . . . 90 T C . 16957 1 336 . 1 1 86 86 THR CA C 13 60.374 0.2 . 1 . . . . 90 T CA . 16957 1 337 . 1 1 86 86 THR CB C 13 67.994 0.2 . 1 . . . . 90 T CB . 16957 1 338 . 1 1 86 86 THR N N 15 110.103 0.1 . 1 . . . . 90 T N . 16957 1 339 . 1 1 87 87 LEU H H 1 7.186 0.05 . 1 . . . . 91 L H . 16957 1 340 . 1 1 87 87 LEU C C 13 177.919 0.2 . 1 . . . . 91 L C . 16957 1 341 . 1 1 87 87 LEU CA C 13 57.806 0.2 . 1 . . . . 91 L CA . 16957 1 342 . 1 1 87 87 LEU CB C 13 41.599 0.2 . 1 . . . . 91 L CB . 16957 1 343 . 1 1 87 87 LEU N N 15 122.360 0.1 . 1 . . . . 91 L N . 16957 1 344 . 1 1 88 88 TYR H H 1 7.223 0.05 . 1 . . . . 92 Y H . 16957 1 345 . 1 1 88 88 TYR C C 13 175.882 0.2 . 1 . . . . 92 Y C . 16957 1 346 . 1 1 88 88 TYR CA C 13 58.755 0.2 . 1 . . . . 92 Y CA . 16957 1 347 . 1 1 88 88 TYR CB C 13 36.343 0.2 . 1 . . . . 92 Y CB . 16957 1 348 . 1 1 88 88 TYR N N 15 110.812 0.1 . 1 . . . . 92 Y N . 16957 1 349 . 1 1 89 89 GLU H H 1 7.838 0.05 . 1 . . . . 93 E H . 16957 1 350 . 1 1 89 89 GLU C C 13 177.047 0.2 . 1 . . . . 93 E C . 16957 1 351 . 1 1 89 89 GLU CA C 13 57.942 0.2 . 1 . . . . 93 E CA . 16957 1 352 . 1 1 89 89 GLU CB C 13 29.997 0.2 . 1 . . . . 93 E CB . 16957 1 353 . 1 1 89 89 GLU N N 15 120.109 0.1 . 1 . . . . 93 E N . 16957 1 354 . 1 1 90 90 ILE H H 1 7.274 0.05 . 1 . . . . 94 I H . 16957 1 355 . 1 1 90 90 ILE CA C 13 64.666 0.2 . 1 . . . . 94 I CA . 16957 1 356 . 1 1 90 90 ILE CB C 13 33.777 0.2 . 1 . . . . 94 I CB . 16957 1 357 . 1 1 90 90 ILE N N 15 117.284 0.1 . 1 . . . . 94 I N . 16957 1 358 . 1 1 91 91 PRO C C 13 175.514 0.2 . 1 . . . . 95 P C . 16957 1 359 . 1 1 91 91 PRO CA C 13 65.418 0.2 . 1 . . . . 95 P CA . 16957 1 360 . 1 1 92 92 ALA H H 1 7.050 0.05 . 1 . . . . 96 A H . 16957 1 361 . 1 1 92 92 ALA CA C 13 53.641 0.2 . 1 . . . . 96 A CA . 16957 1 362 . 1 1 92 92 ALA N N 15 112.531 0.1 . 1 . . . . 96 A N . 16957 1 363 . 1 1 93 93 LEU H H 1 7.548 0.05 . 1 . . . . 97 L H . 16957 1 364 . 1 1 93 93 LEU C C 13 175.819 0.2 . 1 . . . . 97 L C . 16957 1 365 . 1 1 93 93 LEU CA C 13 53.571 0.2 . 1 . . . . 97 L CA . 16957 1 366 . 1 1 93 93 LEU N N 15 113.448 0.1 . 1 . . . . 97 L N . 16957 1 367 . 1 1 94 94 VAL H H 1 7.055 0.05 . 1 . . . . 98 V H . 16957 1 368 . 1 1 94 94 VAL CA C 13 59.645 0.2 . 1 . . . . 98 V CA . 16957 1 369 . 1 1 94 94 VAL CB C 13 32.170 0.2 . 1 . . . . 98 V CB . 16957 1 370 . 1 1 94 94 VAL N N 15 119.556 0.1 . 1 . . . . 98 V N . 16957 1 371 . 1 1 96 96 ALA H H 1 9.888 0.05 . 1 . . . . 100 A H . 16957 1 372 . 1 1 96 96 ALA C C 13 180.405 0.2 . 1 . . . . 100 A C . 16957 1 373 . 1 1 96 96 ALA CA C 13 54.959 0.2 . 1 . . . . 100 A CA . 16957 1 374 . 1 1 96 96 ALA N N 15 132.456 0.1 . 1 . . . . 100 A N . 16957 1 375 . 1 1 97 97 GLY H H 1 9.540 0.05 . 1 . . . . 101 G H . 16957 1 376 . 1 1 97 97 GLY C C 13 174.901 0.2 . 1 . . . . 101 G C . 16957 1 377 . 1 1 97 97 GLY CA C 13 45.065 0.2 . 1 . . . . 101 G CA . 16957 1 378 . 1 1 97 97 GLY N N 15 105.054 0.1 . 1 . . . . 101 G N . 16957 1 379 . 1 1 98 98 LEU H H 1 7.071 0.05 . 1 . . . . 102 L H . 16957 1 380 . 1 1 98 98 LEU C C 13 177.920 0.2 . 1 . . . . 102 L C . 16957 1 381 . 1 1 98 98 LEU CA C 13 56.930 0.2 . 1 . . . . 102 L CA . 16957 1 382 . 1 1 98 98 LEU CB C 13 41.395 0.2 . 1 . . . . 102 L CB . 16957 1 383 . 1 1 98 98 LEU N N 15 118.446 0.1 . 1 . . . . 102 L N . 16957 1 384 . 1 1 99 99 LEU H H 1 6.837 0.05 . 1 . . . . 103 L H . 16957 1 385 . 1 1 99 99 LEU C C 13 178.209 0.2 . 1 . . . . 103 L C . 16957 1 386 . 1 1 99 99 LEU CA C 13 57.653 0.2 . 1 . . . . 103 L CA . 16957 1 387 . 1 1 99 99 LEU CB C 13 39.520 0.2 . 1 . . . . 103 L CB . 16957 1 388 . 1 1 99 99 LEU N N 15 116.742 0.1 . 1 . . . . 103 L N . 16957 1 389 . 1 1 100 100 ALA H H 1 7.574 0.05 . 1 . . . . 104 A H . 16957 1 390 . 1 1 100 100 ALA C C 13 180.462 0.2 . 1 . . . . 104 A C . 16957 1 391 . 1 1 100 100 ALA CA C 13 54.773 0.2 . 1 . . . . 104 A CA . 16957 1 392 . 1 1 100 100 ALA CB C 13 17.516 0.2 . 1 . . . . 104 A CB . 16957 1 393 . 1 1 100 100 ALA N N 15 120.338 0.1 . 1 . . . . 104 A N . 16957 1 394 . 1 1 101 101 LEU H H 1 7.603 0.05 . 1 . . . . 105 L H . 16957 1 395 . 1 1 101 101 LEU C C 13 178.955 0.2 . 1 . . . . 105 L C . 16957 1 396 . 1 1 101 101 LEU CA C 13 57.512 0.2 . 1 . . . . 105 L CA . 16957 1 397 . 1 1 101 101 LEU N N 15 119.161 0.1 . 1 . . . . 105 L N . 16957 1 398 . 1 1 102 102 ILE H H 1 7.793 0.05 . 1 . . . . 106 I H . 16957 1 399 . 1 1 102 102 ILE C C 13 177.604 0.2 . 1 . . . . 106 I C . 16957 1 400 . 1 1 102 102 ILE CA C 13 64.958 0.2 . 1 . . . . 106 I CA . 16957 1 401 . 1 1 102 102 ILE N N 15 118.433 0.1 . 1 . . . . 106 I N . 16957 1 402 . 1 1 103 103 GLU H H 1 8.625 0.05 . 1 . . . . 107 E H . 16957 1 403 . 1 1 103 103 GLU C C 13 178.449 0.2 . 1 . . . . 107 E C . 16957 1 404 . 1 1 103 103 GLU CA C 13 60.387 0.2 . 1 . . . . 107 E CA . 16957 1 405 . 1 1 103 103 GLU CB C 13 29.199 0.2 . 1 . . . . 107 E CB . 16957 1 406 . 1 1 103 103 GLU N N 15 120.763 0.1 . 1 . . . . 107 E N . 16957 1 407 . 1 1 104 104 GLY H H 1 8.116 0.05 . 1 . . . . 108 G H . 16957 1 408 . 1 1 104 104 GLY C C 13 176.772 0.2 . 1 . . . . 108 G C . 16957 1 409 . 1 1 104 104 GLY CA C 13 46.781 0.2 . 1 . . . . 108 G CA . 16957 1 410 . 1 1 104 104 GLY N N 15 104.583 0.1 . 1 . . . . 108 G N . 16957 1 411 . 1 1 105 105 HIS H H 1 7.899 0.05 . 1 . . . . 109 H H . 16957 1 412 . 1 1 105 105 HIS C C 13 177.993 0.2 . 1 . . . . 109 H C . 16957 1 413 . 1 1 105 105 HIS CA C 13 59.177 0.2 . 1 . . . . 109 H CA . 16957 1 414 . 1 1 105 105 HIS N N 15 122.627 0.1 . 1 . . . . 109 H N . 16957 1 415 . 1 1 106 106 LEU H H 1 8.327 0.05 . 1 . . . . 110 L H . 16957 1 416 . 1 1 106 106 LEU C C 13 179.199 0.2 . 1 . . . . 110 L C . 16957 1 417 . 1 1 106 106 LEU CA C 13 57.251 0.2 . 1 . . . . 110 L CA . 16957 1 418 . 1 1 106 106 LEU N N 15 118.265 0.1 . 1 . . . . 110 L N . 16957 1 419 . 1 1 107 107 ALA H H 1 8.562 0.05 . 1 . . . . 111 A H . 16957 1 420 . 1 1 107 107 ALA C C 13 181.636 0.2 . 1 . . . . 111 A C . 16957 1 421 . 1 1 107 107 ALA CA C 13 54.803 0.2 . 1 . . . . 111 A CA . 16957 1 422 . 1 1 107 107 ALA CB C 13 17.260 0.2 . 1 . . . . 111 A CB . 16957 1 423 . 1 1 107 107 ALA N N 15 122.346 0.1 . 1 . . . . 111 A N . 16957 1 424 . 1 1 108 108 GLY H H 1 7.881 0.05 . 1 . . . . 112 G H . 16957 1 425 . 1 1 108 108 GLY C C 13 175.342 0.2 . 1 . . . . 112 G C . 16957 1 426 . 1 1 108 108 GLY CA C 13 46.227 0.2 . 1 . . . . 112 G CA . 16957 1 427 . 1 1 108 108 GLY N N 15 107.483 0.1 . 1 . . . . 112 G N . 16957 1 428 . 1 1 109 109 LEU H H 1 7.149 0.05 . 1 . . . . 113 L H . 16957 1 429 . 1 1 109 109 LEU C C 13 177.360 0.2 . 1 . . . . 113 L C . 16957 1 430 . 1 1 109 109 LEU CA C 13 54.476 0.2 . 1 . . . . 113 L CA . 16957 1 431 . 1 1 109 109 LEU N N 15 119.171 0.1 . 1 . . . . 113 L N . 16957 1 432 . 1 1 110 110 GLY H H 1 7.737 0.05 . 1 . . . . 114 G H . 16957 1 433 . 1 1 110 110 GLY C C 13 175.588 0.2 . 1 . . . . 114 G C . 16957 1 434 . 1 1 110 110 GLY CA C 13 45.177 0.2 . 1 . . . . 114 G CA . 16957 1 435 . 1 1 110 110 GLY N N 15 107.626 0.1 . 1 . . . . 114 G N . 16957 1 436 . 1 1 111 111 LEU H H 1 7.548 0.05 . 1 . . . . 115 L H . 16957 1 437 . 1 1 111 111 LEU C C 13 178.041 0.2 . 1 . . . . 115 L C . 16957 1 438 . 1 1 111 111 LEU N N 15 122.567 0.1 . 1 . . . . 115 L N . 16957 1 439 . 1 1 112 112 PHE H H 1 7.570 0.05 . 1 . . . . 116 F H . 16957 1 440 . 1 1 112 112 PHE CA C 13 61.194 0.2 . 1 . . . . 116 F CA . 16957 1 441 . 1 1 112 112 PHE CB C 13 37.959 0.2 . 1 . . . . 116 F CB . 16957 1 442 . 1 1 112 112 PHE N N 15 119.946 0.1 . 1 . . . . 116 F N . 16957 1 443 . 1 1 113 113 ARG C C 13 178.521 0.2 . 1 . . . . 117 R C . 16957 1 444 . 1 1 113 113 ARG CA C 13 59.404 0.2 . 1 . . . . 117 R CA . 16957 1 445 . 1 1 114 114 LEU H H 1 7.312 0.05 . 1 . . . . 118 L H . 16957 1 446 . 1 1 114 114 LEU C C 13 178.906 0.2 . 1 . . . . 118 L C . 16957 1 447 . 1 1 114 114 LEU CA C 13 56.677 0.2 . 1 . . . . 118 L CA . 16957 1 448 . 1 1 114 114 LEU N N 15 117.674 0.1 . 1 . . . . 118 L N . 16957 1 449 . 1 1 115 115 VAL H H 1 7.807 0.05 . 1 . . . . 119 V H . 16957 1 450 . 1 1 115 115 VAL C C 13 177.650 0.2 . 1 . . . . 119 V C . 16957 1 451 . 1 1 115 115 VAL CA C 13 67.068 0.2 . 1 . . . . 119 V CA . 16957 1 452 . 1 1 115 115 VAL N N 15 120.141 0.1 . 1 . . . . 119 V N . 16957 1 453 . 1 1 116 116 ARG H H 1 7.672 0.05 . 1 . . . . 120 R H . 16957 1 454 . 1 1 116 116 ARG C C 13 178.466 0.2 . 1 . . . . 120 R C . 16957 1 455 . 1 1 116 116 ARG CA C 13 59.521 0.2 . 1 . . . . 120 R CA . 16957 1 456 . 1 1 116 116 ARG CB C 13 29.103 0.2 . 1 . . . . 120 R CB . 16957 1 457 . 1 1 116 116 ARG N N 15 118.048 0.1 . 1 . . . . 120 R N . 16957 1 458 . 1 1 117 117 LEU H H 1 7.452 0.05 . 1 . . . . 121 L H . 16957 1 459 . 1 1 117 117 LEU C C 13 178.300 0.2 . 1 . . . . 121 L C . 16957 1 460 . 1 1 117 117 LEU CA C 13 57.825 0.2 . 1 . . . . 121 L CA . 16957 1 461 . 1 1 117 117 LEU CB C 13 40.713 0.2 . 1 . . . . 121 L CB . 16957 1 462 . 1 1 117 117 LEU N N 15 118.674 0.1 . 1 . . . . 121 L N . 16957 1 463 . 1 1 118 118 LEU H H 1 8.073 0.05 . 1 . . . . 122 L H . 16957 1 464 . 1 1 118 118 LEU CA C 13 57.222 0.2 . 1 . . . . 122 L CA . 16957 1 465 . 1 1 118 118 LEU N N 15 120.916 0.1 . 1 . . . . 122 L N . 16957 1 466 . 1 1 119 119 ARG H H 1 8.283 0.05 . 1 . . . . 123 R H . 16957 1 467 . 1 1 119 119 ARG C C 13 179.065 0.2 . 1 . . . . 123 R C . 16957 1 468 . 1 1 119 119 ARG CA C 13 59.349 0.2 . 1 . . . . 123 R CA . 16957 1 469 . 1 1 119 119 ARG N N 15 119.331 0.1 . 1 . . . . 123 R N . 16957 1 470 . 1 1 120 120 PHE H H 1 8.000 0.05 . 1 . . . . 124 F H . 16957 1 471 . 1 1 120 120 PHE C C 13 177.458 0.2 . 1 . . . . 124 F C . 16957 1 472 . 1 1 120 120 PHE CA C 13 60.398 0.2 . 1 . . . . 124 F CA . 16957 1 473 . 1 1 120 120 PHE N N 15 119.695 0.1 . 1 . . . . 124 F N . 16957 1 474 . 1 1 121 121 LEU H H 1 8.315 0.05 . 1 . . . . 125 L H . 16957 1 475 . 1 1 121 121 LEU C C 13 178.615 0.2 . 1 . . . . 125 L C . 16957 1 476 . 1 1 121 121 LEU CA C 13 57.538 0.2 . 1 . . . . 125 L CA . 16957 1 477 . 1 1 121 121 LEU N N 15 118.651 0.1 . 1 . . . . 125 L N . 16957 1 478 . 1 1 122 122 ARG H H 1 8.076 0.05 . 1 . . . . 126 R H . 16957 1 479 . 1 1 122 122 ARG C C 13 178.174 0.2 . 1 . . . . 126 R C . 16957 1 480 . 1 1 122 122 ARG CA C 13 59.820 0.2 . 1 . . . . 126 R CA . 16957 1 481 . 1 1 122 122 ARG N N 15 118.448 0.1 . 1 . . . . 126 R N . 16957 1 482 . 1 1 123 123 ILE H H 1 7.681 0.05 . 1 . . . . 127 I H . 16957 1 483 . 1 1 123 123 ILE CA C 13 64.286 0.2 . 1 . . . . 127 I CA . 16957 1 484 . 1 1 123 123 ILE N N 15 118.362 0.1 . 1 . . . . 127 I N . 16957 1 485 . 1 1 124 124 LEU H H 1 7.484 0.05 . 1 . . . . 128 L H . 16957 1 486 . 1 1 124 124 LEU CA C 13 57.661 0.2 . 1 . . . . 128 L CA . 16957 1 487 . 1 1 124 124 LEU N N 15 118.609 0.1 . 1 . . . . 128 L N . 16957 1 488 . 1 1 125 125 LEU H H 1 8.066 0.05 . 1 . . . . 129 L H . 16957 1 489 . 1 1 125 125 LEU N N 15 121.058 0.1 . 1 . . . . 129 L N . 16957 1 490 . 1 1 126 126 ILE H H 1 8.049 0.05 . 1 . . . . 130 I H . 16957 1 491 . 1 1 126 126 ILE N N 15 119.402 0.1 . 1 . . . . 130 I N . 16957 1 492 . 1 1 127 127 ILE H H 1 8.085 0.05 . 1 . . . . 131 I H . 16957 1 493 . 1 1 127 127 ILE CA C 13 64.934 0.2 . 1 . . . . 131 I CA . 16957 1 494 . 1 1 127 127 ILE N N 15 119.538 0.1 . 1 . . . . 131 I N . 16957 1 495 . 1 1 128 128 SER H H 1 8.558 0.05 . 1 . . . . 132 S H . 16957 1 496 . 1 1 128 128 SER C C 13 178.056 0.2 . 1 . . . . 132 S C . 16957 1 497 . 1 1 128 128 SER CA C 13 62.106 0.2 . 1 . . . . 132 S CA . 16957 1 498 . 1 1 128 128 SER CB C 13 62.858 0.2 . 1 . . . . 132 S CB . 16957 1 499 . 1 1 128 128 SER N N 15 115.960 0.1 . 1 . . . . 132 S N . 16957 1 500 . 1 1 129 129 ARG H H 1 8.682 0.05 . 1 . . . . 133 R H . 16957 1 501 . 1 1 129 129 ARG C C 13 178.929 0.2 . 1 . . . . 133 R C . 16957 1 502 . 1 1 129 129 ARG N N 15 120.571 0.1 . 1 . . . . 133 R N . 16957 1 503 . 1 1 130 130 GLY H H 1 8.666 0.05 . 1 . . . . 134 G H . 16957 1 504 . 1 1 130 130 GLY C C 13 174.841 0.2 . 1 . . . . 134 G C . 16957 1 505 . 1 1 130 130 GLY CA C 13 47.114 0.2 . 1 . . . . 134 G CA . 16957 1 506 . 1 1 130 130 GLY N N 15 107.484 0.1 . 1 . . . . 134 G N . 16957 1 507 . 1 1 131 131 SER H H 1 8.492 0.05 . 1 . . . . 135 S H . 16957 1 508 . 1 1 131 131 SER C C 13 176.581 0.2 . 1 . . . . 135 S C . 16957 1 509 . 1 1 131 131 SER CA C 13 61.905 0.2 . 1 . . . . 135 S CA . 16957 1 510 . 1 1 131 131 SER N N 15 117.624 0.1 . 1 . . . . 135 S N . 16957 1 511 . 1 1 132 132 LYS H H 1 8.034 0.05 . 1 . . . . 136 K H . 16957 1 512 . 1 1 132 132 LYS C C 13 178.785 0.2 . 1 . . . . 136 K C . 16957 1 513 . 1 1 132 132 LYS CA C 13 58.558 0.2 . 1 . . . . 136 K CA . 16957 1 514 . 1 1 132 132 LYS N N 15 122.378 0.1 . 1 . . . . 136 K N . 16957 1 515 . 1 1 133 133 PHE H H 1 7.940 0.05 . 1 . . . . 137 F H . 16957 1 516 . 1 1 133 133 PHE C C 13 175.809 0.2 . 1 . . . . 137 F C . 16957 1 517 . 1 1 133 133 PHE CA C 13 60.457 0.2 . 1 . . . . 137 F CA . 16957 1 518 . 1 1 133 133 PHE N N 15 119.228 0.1 . 1 . . . . 137 F N . 16957 1 519 . 1 1 134 134 LEU H H 1 7.903 0.05 . 1 . . . . 138 L H . 16957 1 520 . 1 1 134 134 LEU C C 13 178.939 0.2 . 1 . . . . 138 L C . 16957 1 521 . 1 1 134 134 LEU CA C 13 57.322 0.2 . 1 . . . . 138 L CA . 16957 1 522 . 1 1 134 134 LEU N N 15 118.378 0.1 . 1 . . . . 138 L N . 16957 1 523 . 1 1 135 135 SER H H 1 8.263 0.05 . 1 . . . . 139 S H . 16957 1 524 . 1 1 135 135 SER C C 13 176.288 0.2 . 1 . . . . 139 S C . 16957 1 525 . 1 1 135 135 SER CA C 13 61.203 0.2 . 1 . . . . 139 S CA . 16957 1 526 . 1 1 135 135 SER CB C 13 62.512 0.2 . 1 . . . . 139 S CB . 16957 1 527 . 1 1 135 135 SER N N 15 114.150 0.1 . 1 . . . . 139 S N . 16957 1 528 . 1 1 136 136 ALA H H 1 7.956 0.05 . 1 . . . . 140 A H . 16957 1 529 . 1 1 136 136 ALA C C 13 180.348 0.2 . 1 . . . . 140 A C . 16957 1 530 . 1 1 136 136 ALA CA C 13 54.468 0.2 . 1 . . . . 140 A CA . 16957 1 531 . 1 1 136 136 ALA N N 15 124.280 0.1 . 1 . . . . 140 A N . 16957 1 532 . 1 1 137 137 ILE H H 1 7.860 0.05 . 1 . . . . 141 I H . 16957 1 533 . 1 1 137 137 ILE C C 13 177.045 0.2 . 1 . . . . 141 I C . 16957 1 534 . 1 1 137 137 ILE CA C 13 62.570 0.2 . 1 . . . . 141 I CA . 16957 1 535 . 1 1 137 137 ILE CB C 13 39.769 0.2 . 1 . . . . 141 I CB . 16957 1 536 . 1 1 137 137 ILE N N 15 116.964 0.1 . 1 . . . . 141 I N . 16957 1 537 . 1 1 138 138 ALA H H 1 7.693 0.05 . 1 . . . . 142 A H . 16957 1 538 . 1 1 138 138 ALA C C 13 179.802 0.2 . 1 . . . . 142 A C . 16957 1 539 . 1 1 138 138 ALA CA C 13 54.650 0.2 . 1 . . . . 142 A CA . 16957 1 540 . 1 1 138 138 ALA N N 15 123.933 0.1 . 1 . . . . 142 A N . 16957 1 541 . 1 1 139 139 ASP H H 1 7.867 0.05 . 1 . . . . 143 D H . 16957 1 542 . 1 1 139 139 ASP C C 13 178.059 0.2 . 1 . . . . 143 D C . 16957 1 543 . 1 1 139 139 ASP CA C 13 56.403 0.2 . 1 . . . . 143 D CA . 16957 1 544 . 1 1 139 139 ASP CB C 13 40.659 0.2 . 1 . . . . 143 D CB . 16957 1 545 . 1 1 139 139 ASP N N 15 118.233 0.1 . 1 . . . . 143 D N . 16957 1 546 . 1 1 140 140 ALA H H 1 7.903 0.05 . 1 . . . . 144 A H . 16957 1 547 . 1 1 140 140 ALA C C 13 179.302 0.2 . 1 . . . . 144 A C . 16957 1 548 . 1 1 140 140 ALA CA C 13 54.028 0.2 . 1 . . . . 144 A CA . 16957 1 549 . 1 1 140 140 ALA N N 15 121.325 0.1 . 1 . . . . 144 A N . 16957 1 550 . 1 1 141 141 ALA H H 1 8.247 0.05 . 1 . . . . 145 A H . 16957 1 551 . 1 1 141 141 ALA C C 13 179.008 0.2 . 1 . . . . 145 A C . 16957 1 552 . 1 1 141 141 ALA CA C 13 54.639 0.2 . 1 . . . . 145 A CA . 16957 1 553 . 1 1 141 141 ALA CB C 13 17.521 0.2 . 1 . . . . 145 A CB . 16957 1 554 . 1 1 141 141 ALA N N 15 119.704 0.1 . 1 . . . . 145 A N . 16957 1 555 . 1 1 142 142 ASP H H 1 7.779 0.05 . 1 . . . . 146 D H . 16957 1 556 . 1 1 142 142 ASP C C 13 177.615 0.2 . 1 . . . . 146 D C . 16957 1 557 . 1 1 142 142 ASP CA C 13 56.110 0.2 . 1 . . . . 146 D CA . 16957 1 558 . 1 1 142 142 ASP CB C 13 41.038 0.2 . 1 . . . . 146 D CB . 16957 1 559 . 1 1 142 142 ASP N N 15 116.554 0.1 . 1 . . . . 146 D N . 16957 1 560 . 1 1 143 143 LYS H H 1 7.555 0.05 . 1 . . . . 147 K H . 16957 1 561 . 1 1 143 143 LYS C C 13 177.528 0.2 . 1 . . . . 147 K C . 16957 1 562 . 1 1 143 143 LYS CA C 13 56.765 0.2 . 1 . . . . 147 K CA . 16957 1 563 . 1 1 143 143 LYS CB C 13 32.210 0.2 . 1 . . . . 147 K CB . 16957 1 564 . 1 1 143 143 LYS N N 15 116.472 0.1 . 1 . . . . 147 K N . 16957 1 565 . 1 1 144 144 LEU H H 1 7.738 0.05 . 1 . . . . 148 L H . 16957 1 566 . 1 1 144 144 LEU C C 13 176.725 0.2 . 1 . . . . 148 L C . 16957 1 567 . 1 1 144 144 LEU CA C 13 55.331 0.2 . 1 . . . . 148 L CA . 16957 1 568 . 1 1 144 144 LEU CB C 13 42.389 0.2 . 1 . . . . 148 L CB . 16957 1 569 . 1 1 144 144 LEU N N 15 118.854 0.1 . 1 . . . . 148 L N . 16957 1 570 . 1 1 145 145 VAL H H 1 7.569 0.05 . 1 . . . . 149 V H . 16957 1 571 . 1 1 145 145 VAL CA C 13 59.661 0.2 . 1 . . . . 149 V CA . 16957 1 572 . 1 1 145 145 VAL CB C 13 31.699 0.2 . 1 . . . . 149 V CB . 16957 1 573 . 1 1 145 145 VAL N N 15 119.646 0.1 . 1 . . . . 149 V N . 16957 1 574 . 1 1 146 146 PRO C C 13 176.048 0.2 . 1 . . . . 150 P C . 16957 1 575 . 1 1 146 146 PRO CA C 13 63.069 0.2 . 1 . . . . 150 P CA . 16957 1 576 . 1 1 146 146 PRO CB C 13 30.992 0.2 . 1 . . . . 150 P CB . 16957 1 577 . 1 1 147 147 ARG H H 1 7.832 0.05 . 1 . . . . 151 R H . 16957 1 578 . 1 1 147 147 ARG CA C 13 56.912 0.2 . 1 . . . . 151 R CA . 16957 1 579 . 1 1 147 147 ARG N N 15 127.098 0.1 . 1 . . . . 151 R N . 16957 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16957 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16957 2 5 '3D HCCH-COSY' . . . 16957 2 7 '3D 1H-15N NOESY' . . . 16957 2 8 '3D 1H-13C NOESY' . . . 16957 2 9 '3D 1H-13C NOESY' . . . 16957 2 11 '2D 1H-15N HSQC' . . . 16957 2 26 '3D 1H-15N NOESY' . . . 16957 2 27 '3D 1H-13C NOESYaro' . . . 16957 2 28 '2D 1H-13C HSQC' . . . 16957 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16957 2 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 3 3 GLY HA2 H 1 4.014 0.05 . 2 . . . . 7 G HA . 16957 2 2 . 1 1 3 3 GLY HA3 H 1 4.014 0.05 . 2 . . . . 7 G HA . 16957 2 3 . 1 1 3 3 GLY CA C 13 44.937 0.2 . 1 . . . . 7 G CA . 16957 2 4 . 1 1 4 4 LEU HA H 1 4.079 0.05 . 1 . . . . 8 L HA . 16957 2 5 . 1 1 4 4 LEU HB2 H 1 1.840 0.05 . 2 . . . . 8 L HB2 . 16957 2 6 . 1 1 4 4 LEU HB3 H 1 1.636 0.05 . 2 . . . . 8 L HB3 . 16957 2 7 . 1 1 4 4 LEU HD11 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2 8 . 1 1 4 4 LEU HD12 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2 9 . 1 1 4 4 LEU HD13 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2 10 . 1 1 4 4 LEU HD21 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2 11 . 1 1 4 4 LEU HD22 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2 12 . 1 1 4 4 LEU HD23 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2 13 . 1 1 4 4 LEU CA C 13 57.629 0.2 . 1 . . . . 8 L CA . 16957 2 14 . 1 1 4 4 LEU CB C 13 42.326 0.2 . 1 . . . . 8 L CB . 16957 2 15 . 1 1 5 5 SER HA H 1 4.341 0.05 . 1 . . . . 9 S HA . 16957 2 16 . 1 1 5 5 SER HB2 H 1 3.894 0.05 . 2 . . . . 9 S HB2 . 16957 2 17 . 1 1 5 5 SER HB3 H 1 3.828 0.05 . 2 . . . . 9 S HB3 . 16957 2 18 . 1 1 5 5 SER CA C 13 59.050 0.2 . 1 . . . . 9 S CA . 16957 2 19 . 1 1 5 5 SER CB C 13 63.240 0.2 . 1 . . . . 9 S CB . 16957 2 20 . 1 1 6 6 ASP HA H 1 4.599 0.05 . 1 . . . . 10 D HA . 16957 2 21 . 1 1 6 6 ASP HB2 H 1 2.693 0.05 . 2 . . . . 10 D HB . 16957 2 22 . 1 1 6 6 ASP HB3 H 1 2.693 0.05 . 2 . . . . 10 D HB . 16957 2 23 . 1 1 6 6 ASP CA C 13 54.450 0.2 . 1 . . . . 10 D CA . 16957 2 24 . 1 1 6 6 ASP CB C 13 41.052 0.2 . 1 . . . . 10 D CB . 16957 2 25 . 1 1 7 7 LEU H H 1 8.033 0.05 . 1 . . . . 11 L H . 16957 2 26 . 1 1 7 7 LEU HA H 1 4.220 0.05 . 1 . . . . 11 L HA . 16957 2 27 . 1 1 7 7 LEU HB2 H 1 1.704 0.05 . 2 . . . . 11 L HB2 . 16957 2 28 . 1 1 7 7 LEU HB3 H 1 1.624 0.05 . 2 . . . . 11 L HB3 . 16957 2 29 . 1 1 7 7 LEU HD11 H 1 0.885 0.05 . 1 . . . . 11 L HD1 . 16957 2 30 . 1 1 7 7 LEU HD12 H 1 0.885 0.05 . 1 . . . . 11 L HD1 . 16957 2 31 . 1 1 7 7 LEU HD13 H 1 0.885 0.05 . 1 . . . . 11 L HD1 . 16957 2 32 . 1 1 7 7 LEU HD21 H 1 0.833 0.05 . 1 . . . . 11 L HD2 . 16957 2 33 . 1 1 7 7 LEU HD22 H 1 0.833 0.05 . 1 . . . . 11 L HD2 . 16957 2 34 . 1 1 7 7 LEU HD23 H 1 0.833 0.05 . 1 . . . . 11 L HD2 . 16957 2 35 . 1 1 7 7 LEU HG H 1 1.635 0.05 . 1 . . . . 11 L HG . 16957 2 36 . 1 1 7 7 LEU CA C 13 55.776 0.2 . 1 . . . . 11 L CA . 16957 2 37 . 1 1 7 7 LEU CB C 13 41.908 0.2 . 1 . . . . 11 L CB . 16957 2 38 . 1 1 7 7 LEU CD1 C 13 25.017 0.2 . 1 . . . . 11 L CD1 . 16957 2 39 . 1 1 7 7 LEU CD2 C 13 23.540 0.2 . 1 . . . . 11 L CD2 . 16957 2 40 . 1 1 7 7 LEU CG C 13 26.991 0.2 . 1 . . . . 11 L CG . 16957 2 41 . 1 1 7 7 LEU N N 15 121.116 0.1 . 1 . . . . 11 L N . 16957 2 42 . 1 1 8 8 GLY H H 1 8.300 0.05 . 1 . . . . 12 G H . 16957 2 43 . 1 1 8 8 GLY HA2 H 1 3.907 0.05 . 2 . . . . 12 G HA . 16957 2 44 . 1 1 8 8 GLY HA3 H 1 3.907 0.05 . 2 . . . . 12 G HA . 16957 2 45 . 1 1 8 8 GLY CA C 13 45.769 0.2 . 1 . . . . 12 G CA . 16957 2 46 . 1 1 8 8 GLY N N 15 107.475 0.1 . 1 . . . . 12 G N . 16957 2 47 . 1 1 9 9 GLY H H 1 8.144 0.05 . 1 . . . . 13 G H . 16957 2 48 . 1 1 9 9 GLY HA2 H 1 3.936 0.05 . 2 . . . . 13 G HA . 16957 2 49 . 1 1 9 9 GLY HA3 H 1 3.936 0.05 . 2 . . . . 13 G HA . 16957 2 50 . 1 1 9 9 GLY CA C 13 45.394 0.2 . 1 . . . . 13 G CA . 16957 2 51 . 1 1 9 9 GLY N N 15 108.139 0.1 . 1 . . . . 13 G N . 16957 2 52 . 1 1 10 10 ARG H H 1 8.010 0.05 . 1 . . . . 14 R H . 16957 2 53 . 1 1 10 10 ARG HA H 1 4.336 0.05 . 1 . . . . 14 R HA . 16957 2 54 . 1 1 10 10 ARG HB2 H 1 1.859 0.05 . 2 . . . . 14 R HB2 . 16957 2 55 . 1 1 10 10 ARG HB3 H 1 1.783 0.05 . 2 . . . . 14 R HB3 . 16957 2 56 . 1 1 10 10 ARG HD2 H 1 3.175 0.05 . 2 . . . . 14 R HD . 16957 2 57 . 1 1 10 10 ARG HD3 H 1 3.175 0.05 . 2 . . . . 14 R HD . 16957 2 58 . 1 1 10 10 ARG HG2 H 1 1.644 0.05 . 2 . . . . 14 R HG . 16957 2 59 . 1 1 10 10 ARG HG3 H 1 1.644 0.05 . 2 . . . . 14 R HG . 16957 2 60 . 1 1 10 10 ARG CA C 13 56.267 0.2 . 1 . . . . 14 R CA . 16957 2 61 . 1 1 10 10 ARG CB C 13 30.862 0.2 . 1 . . . . 14 R CB . 16957 2 62 . 1 1 10 10 ARG CD C 13 43.187 0.2 . 1 . . . . 14 R CD . 16957 2 63 . 1 1 10 10 ARG CG C 13 26.731 0.2 . 1 . . . . 14 R CG . 16957 2 64 . 1 1 10 10 ARG N N 15 119.856 0.1 . 1 . . . . 14 R N . 16957 2 65 . 1 1 11 11 VAL H H 1 7.953 0.05 . 1 . . . . 15 V H . 16957 2 66 . 1 1 11 11 VAL HA H 1 4.082 0.05 . 1 . . . . 15 V HA . 16957 2 67 . 1 1 11 11 VAL HB H 1 2.078 0.05 . 1 . . . . 15 V HB . 16957 2 68 . 1 1 11 11 VAL HG11 H 1 0.897 0.05 . 1 . . . . 15 V HG1 . 16957 2 69 . 1 1 11 11 VAL HG12 H 1 0.897 0.05 . 1 . . . . 15 V HG1 . 16957 2 70 . 1 1 11 11 VAL HG13 H 1 0.897 0.05 . 1 . . . . 15 V HG1 . 16957 2 71 . 1 1 11 11 VAL HG21 H 1 0.907 0.05 . 1 . . . . 15 V HG2 . 16957 2 72 . 1 1 11 11 VAL HG22 H 1 0.907 0.05 . 1 . . . . 15 V HG2 . 16957 2 73 . 1 1 11 11 VAL HG23 H 1 0.907 0.05 . 1 . . . . 15 V HG2 . 16957 2 74 . 1 1 11 11 VAL CA C 13 62.233 0.2 . 1 . . . . 15 V CA . 16957 2 75 . 1 1 11 11 VAL CB C 13 32.339 0.2 . 1 . . . . 15 V CB . 16957 2 76 . 1 1 11 11 VAL CG1 C 13 21.468 0.2 . 1 . . . . 15 V CG1 . 16957 2 77 . 1 1 11 11 VAL CG2 C 13 20.933 0.2 . 1 . . . . 15 V CG2 . 16957 2 78 . 1 1 11 11 VAL N N 15 119.042 0.1 . 1 . . . . 15 V N . 16957 2 79 . 1 1 12 12 ARG H H 1 8.450 0.05 . 1 . . . . 16 R H . 16957 2 80 . 1 1 12 12 ARG HA H 1 4.328 0.05 . 1 . . . . 16 R HA . 16957 2 81 . 1 1 12 12 ARG HB2 H 1 1.840 0.05 . 2 . . . . 16 R HB2 . 16957 2 82 . 1 1 12 12 ARG HB3 H 1 1.773 0.05 . 2 . . . . 16 R HB3 . 16957 2 83 . 1 1 12 12 ARG HG2 H 1 1.643 0.05 . 2 . . . . 16 R HG . 16957 2 84 . 1 1 12 12 ARG HG3 H 1 1.643 0.05 . 2 . . . . 16 R HG . 16957 2 85 . 1 1 12 12 ARG CB C 13 31.145 0.2 . 1 . . . . 16 R CB . 16957 2 86 . 1 1 12 12 ARG N N 15 123.495 0.1 . 1 . . . . 16 R N . 16957 2 87 . 1 1 13 13 ASN H H 1 8.226 0.05 . 1 . . . . 17 N H . 16957 2 88 . 1 1 13 13 ASN HA H 1 4.798 0.05 . 1 . . . . 17 N HA . 16957 2 89 . 1 1 13 13 ASN HB2 H 1 2.930 0.05 . 2 . . . . 17 N HB2 . 16957 2 90 . 1 1 13 13 ASN HB3 H 1 2.845 0.05 . 2 . . . . 17 N HB3 . 16957 2 91 . 1 1 13 13 ASN HD21 H 1 7.644 0.05 . 2 . . . . 17 N HD21 . 16957 2 92 . 1 1 13 13 ASN HD22 H 1 6.849 0.05 . 2 . . . . 17 N HD22 . 16957 2 93 . 1 1 13 13 ASN CA C 13 52.647 0.2 . 1 . . . . 17 N CA . 16957 2 94 . 1 1 13 13 ASN CB C 13 39.623 0.2 . 1 . . . . 17 N CB . 16957 2 95 . 1 1 13 13 ASN N N 15 117.760 0.1 . 1 . . . . 17 N N . 16957 2 96 . 1 1 13 13 ASN ND2 N 15 113.086 0.1 . 1 . . . . 17 N ND2 . 16957 2 97 . 1 1 14 14 ILE H H 1 8.391 0.05 . 1 . . . . 18 I H . 16957 2 98 . 1 1 14 14 ILE HA H 1 3.989 0.05 . 1 . . . . 18 I HA . 16957 2 99 . 1 1 14 14 ILE HB H 1 1.913 0.05 . 1 . . . . 18 I HB . 16957 2 100 . 1 1 14 14 ILE HD11 H 1 0.871 0.05 . 1 . . . . 18 I HD1 . 16957 2 101 . 1 1 14 14 ILE HD12 H 1 0.871 0.05 . 1 . . . . 18 I HD1 . 16957 2 102 . 1 1 14 14 ILE HD13 H 1 0.871 0.05 . 1 . . . . 18 I HD1 . 16957 2 103 . 1 1 14 14 ILE HG12 H 1 1.497 0.05 . 2 . . . . 18 I HG12 . 16957 2 104 . 1 1 14 14 ILE HG13 H 1 1.240 0.05 . 2 . . . . 18 I HG13 . 16957 2 105 . 1 1 14 14 ILE HG21 H 1 0.948 0.05 . 1 . . . . 18 I HG2 . 16957 2 106 . 1 1 14 14 ILE HG22 H 1 0.948 0.05 . 1 . . . . 18 I HG2 . 16957 2 107 . 1 1 14 14 ILE HG23 H 1 0.948 0.05 . 1 . . . . 18 I HG2 . 16957 2 108 . 1 1 14 14 ILE CA C 13 62.639 0.2 . 1 . . . . 18 I CA . 16957 2 109 . 1 1 14 14 ILE CB C 13 38.174 0.2 . 1 . . . . 18 I CB . 16957 2 110 . 1 1 14 14 ILE CD1 C 13 13.522 0.2 . 1 . . . . 18 I CD1 . 16957 2 111 . 1 1 14 14 ILE CG1 C 13 28.493 0.2 . 1 . . . . 18 I CG1 . 16957 2 112 . 1 1 14 14 ILE CG2 C 13 17.948 0.2 . 1 . . . . 18 I CG2 . 16957 2 113 . 1 1 14 14 ILE N N 15 120.395 0.1 . 1 . . . . 18 I N . 16957 2 114 . 1 1 15 15 GLY H H 1 8.527 0.05 . 1 . . . . 19 G H . 16957 2 115 . 1 1 15 15 GLY HA2 H 1 3.950 0.05 . 2 . . . . 19 G HA2 . 16957 2 116 . 1 1 15 15 GLY HA3 H 1 3.794 0.05 . 2 . . . . 19 G HA3 . 16957 2 117 . 1 1 15 15 GLY CA C 13 46.579 0.2 . 1 . . . . 19 G CA . 16957 2 118 . 1 1 15 15 GLY N N 15 110.549 0.1 . 1 . . . . 19 G N . 16957 2 119 . 1 1 16 16 ASP H H 1 7.848 0.05 . 1 . . . . 20 D H . 16957 2 120 . 1 1 16 16 ASP HA H 1 4.493 0.05 . 1 . . . . 20 D HA . 16957 2 121 . 1 1 16 16 ASP HB2 H 1 2.780 0.05 . 2 . . . . 20 D HB . 16957 2 122 . 1 1 16 16 ASP HB3 H 1 2.780 0.05 . 2 . . . . 20 D HB . 16957 2 123 . 1 1 16 16 ASP CA C 13 55.777 0.2 . 1 . . . . 20 D CA . 16957 2 124 . 1 1 16 16 ASP CB C 13 40.974 0.2 . 1 . . . . 20 D CB . 16957 2 125 . 1 1 16 16 ASP N N 15 119.494 0.1 . 1 . . . . 20 D N . 16957 2 126 . 1 1 17 17 VAL H H 1 7.561 0.05 . 1 . . . . 21 V H . 16957 2 127 . 1 1 17 17 VAL HA H 1 3.922 0.05 . 1 . . . . 21 V HA . 16957 2 128 . 1 1 17 17 VAL HB H 1 2.144 0.05 . 1 . . . . 21 V HB . 16957 2 129 . 1 1 17 17 VAL HG11 H 1 0.900 0.05 . 1 . . . . 21 V HG1 . 16957 2 130 . 1 1 17 17 VAL HG12 H 1 0.900 0.05 . 1 . . . . 21 V HG1 . 16957 2 131 . 1 1 17 17 VAL HG13 H 1 0.900 0.05 . 1 . . . . 21 V HG1 . 16957 2 132 . 1 1 17 17 VAL HG21 H 1 0.951 0.05 . 1 . . . . 21 V HG2 . 16957 2 133 . 1 1 17 17 VAL HG22 H 1 0.951 0.05 . 1 . . . . 21 V HG2 . 16957 2 134 . 1 1 17 17 VAL HG23 H 1 0.951 0.05 . 1 . . . . 21 V HG2 . 16957 2 135 . 1 1 17 17 VAL CA C 13 64.313 0.2 . 1 . . . . 21 V CA . 16957 2 136 . 1 1 17 17 VAL CB C 13 32.282 0.2 . 1 . . . . 21 V CB . 16957 2 137 . 1 1 17 17 VAL CG1 C 13 21.369 0.2 . 1 . . . . 21 V CG1 . 16957 2 138 . 1 1 17 17 VAL CG2 C 13 21.608 0.2 . 1 . . . . 21 V CG2 . 16957 2 139 . 1 1 17 17 VAL N N 15 117.535 0.1 . 1 . . . . 21 V N . 16957 2 140 . 1 1 18 18 MET H H 1 7.830 0.05 . 1 . . . . 22 M H . 16957 2 141 . 1 1 18 18 MET HA H 1 4.369 0.05 . 1 . . . . 22 M HA . 16957 2 142 . 1 1 18 18 MET HB2 H 1 2.292 0.05 . 2 . . . . 22 M HB2 . 16957 2 143 . 1 1 18 18 MET HB3 H 1 2.121 0.05 . 2 . . . . 22 M HB3 . 16957 2 144 . 1 1 18 18 MET HE1 H 1 1.856 0.05 . 1 . . . . 22 M HE . 16957 2 145 . 1 1 18 18 MET HE2 H 1 1.856 0.05 . 1 . . . . 22 M HE . 16957 2 146 . 1 1 18 18 MET HE3 H 1 1.856 0.05 . 1 . . . . 22 M HE . 16957 2 147 . 1 1 18 18 MET HG2 H 1 1.658 0.05 . 2 . . . . 22 M HG2 . 16957 2 148 . 1 1 18 18 MET HG3 H 1 1.277 0.05 . 2 . . . . 22 M HG3 . 16957 2 149 . 1 1 18 18 MET CA C 13 55.197 0.2 . 1 . . . . 22 M CA . 16957 2 150 . 1 1 18 18 MET CE C 13 15.268 0.2 . 1 . . . . 22 M CE . 16957 2 151 . 1 1 18 18 MET N N 15 115.526 0.1 . 1 . . . . 22 M N . 16957 2 152 . 1 1 19 19 GLU H H 1 7.718 0.05 . 1 . . . . 23 E H . 16957 2 153 . 1 1 19 19 GLU HA H 1 4.393 0.05 . 1 . . . . 23 E HA . 16957 2 154 . 1 1 19 19 GLU HB2 H 1 2.206 0.05 . 2 . . . . 23 E HB2 . 16957 2 155 . 1 1 19 19 GLU HB3 H 1 1.887 0.05 . 2 . . . . 23 E HB3 . 16957 2 156 . 1 1 19 19 GLU HG2 H 1 2.321 0.05 . 2 . . . . 23 E HG2 . 16957 2 157 . 1 1 19 19 GLU HG3 H 1 2.278 0.05 . 2 . . . . 23 E HG3 . 16957 2 158 . 1 1 19 19 GLU CA C 13 55.234 0.2 . 1 . . . . 23 E CA . 16957 2 159 . 1 1 19 19 GLU CB C 13 29.214 0.2 . 1 . . . . 23 E CB . 16957 2 160 . 1 1 19 19 GLU CG C 13 36.436 0.2 . 1 . . . . 23 E CG . 16957 2 161 . 1 1 19 19 GLU N N 15 115.647 0.1 . 1 . . . . 23 E N . 16957 2 162 . 1 1 20 20 HIS H H 1 7.847 0.05 . 1 . . . . 24 H H . 16957 2 163 . 1 1 20 20 HIS HA H 1 4.647 0.05 . 1 . . . . 24 H HA . 16957 2 164 . 1 1 20 20 HIS HB2 H 1 3.275 0.05 . 2 . . . . 24 H HB2 . 16957 2 165 . 1 1 20 20 HIS HB3 H 1 3.118 0.05 . 2 . . . . 24 H HB3 . 16957 2 166 . 1 1 20 20 HIS HD2 H 1 7.049 0.05 . 1 . . . . 24 H HD2 . 16957 2 167 . 1 1 20 20 HIS HE1 H 1 7.739 0.05 . 1 . . . . 24 H HE1 . 16957 2 168 . 1 1 20 20 HIS CB C 13 31.654 0.2 . 1 . . . . 24 H CB . 16957 2 169 . 1 1 20 20 HIS CD2 C 13 119.095 0.2 . 1 . . . . 24 H CD2 . 16957 2 170 . 1 1 20 20 HIS CE1 C 13 138.652 0.2 . 1 . . . . 24 H CE1 . 16957 2 171 . 1 1 20 20 HIS N N 15 122.866 0.1 . 1 . . . . 24 H N . 16957 2 172 . 1 1 21 21 PRO HA H 1 4.384 0.05 . 1 . . . . 25 P HA . 16957 2 173 . 1 1 21 21 PRO HB2 H 1 2.295 0.05 . 2 . . . . 25 P HB2 . 16957 2 174 . 1 1 21 21 PRO HB3 H 1 1.875 0.05 . 2 . . . . 25 P HB3 . 16957 2 175 . 1 1 21 21 PRO CA C 13 65.097 0.2 . 1 . . . . 25 P CA . 16957 2 176 . 1 1 21 21 PRO CB C 13 32.074 0.2 . 1 . . . . 25 P CB . 16957 2 177 . 1 1 22 22 LEU H H 1 8.147 0.05 . 1 . . . . 26 L H . 16957 2 178 . 1 1 22 22 LEU HA H 1 4.260 0.05 . 1 . . . . 26 L HA . 16957 2 179 . 1 1 22 22 LEU HB2 H 1 1.932 0.05 . 2 . . . . 26 L HB2 . 16957 2 180 . 1 1 22 22 LEU HB3 H 1 1.611 0.05 . 2 . . . . 26 L HB3 . 16957 2 181 . 1 1 22 22 LEU HD11 H 1 0.987 0.05 . 1 . . . . 26 L HD1 . 16957 2 182 . 1 1 22 22 LEU HD12 H 1 0.987 0.05 . 1 . . . . 26 L HD1 . 16957 2 183 . 1 1 22 22 LEU HD13 H 1 0.987 0.05 . 1 . . . . 26 L HD1 . 16957 2 184 . 1 1 22 22 LEU HD21 H 1 0.917 0.05 . 1 . . . . 26 L HD2 . 16957 2 185 . 1 1 22 22 LEU HD22 H 1 0.917 0.05 . 1 . . . . 26 L HD2 . 16957 2 186 . 1 1 22 22 LEU HD23 H 1 0.917 0.05 . 1 . . . . 26 L HD2 . 16957 2 187 . 1 1 22 22 LEU HG H 1 1.840 0.05 . 1 . . . . 26 L HG . 16957 2 188 . 1 1 22 22 LEU CA C 13 57.444 0.2 . 1 . . . . 26 L CA . 16957 2 189 . 1 1 22 22 LEU CD1 C 13 25.173 0.2 . 1 . . . . 26 L CD1 . 16957 2 190 . 1 1 22 22 LEU CD2 C 13 23.703 0.2 . 1 . . . . 26 L CD2 . 16957 2 191 . 1 1 22 22 LEU CG C 13 27.366 0.2 . 1 . . . . 26 L CG . 16957 2 192 . 1 1 23 23 VAL H H 1 7.697 0.05 . 1 . . . . 27 V H . 16957 2 193 . 1 1 23 23 VAL HA H 1 3.629 0.05 . 1 . . . . 27 V HA . 16957 2 194 . 1 1 23 23 VAL HB H 1 2.414 0.05 . 1 . . . . 27 V HB . 16957 2 195 . 1 1 23 23 VAL HG11 H 1 0.960 0.05 . 1 . . . . 27 V HG1 . 16957 2 196 . 1 1 23 23 VAL HG12 H 1 0.960 0.05 . 1 . . . . 27 V HG1 . 16957 2 197 . 1 1 23 23 VAL HG13 H 1 0.960 0.05 . 1 . . . . 27 V HG1 . 16957 2 198 . 1 1 23 23 VAL HG21 H 1 0.999 0.05 . 1 . . . . 27 V HG2 . 16957 2 199 . 1 1 23 23 VAL HG22 H 1 0.999 0.05 . 1 . . . . 27 V HG2 . 16957 2 200 . 1 1 23 23 VAL HG23 H 1 0.999 0.05 . 1 . . . . 27 V HG2 . 16957 2 201 . 1 1 23 23 VAL CA C 13 66.401 0.2 . 1 . . . . 27 V CA . 16957 2 202 . 1 1 23 23 VAL CB C 13 31.218 0.2 . 1 . . . . 27 V CB . 16957 2 203 . 1 1 23 23 VAL CG1 C 13 21.280 0.2 . 1 . . . . 27 V CG1 . 16957 2 204 . 1 1 23 23 VAL CG2 C 13 23.519 0.2 . 1 . . . . 27 V CG2 . 16957 2 205 . 1 1 23 23 VAL N N 15 120.135 0.1 . 1 . . . . 27 V N . 16957 2 206 . 1 1 24 24 GLU H H 1 8.273 0.05 . 1 . . . . 28 E H . 16957 2 207 . 1 1 24 24 GLU HA H 1 4.054 0.05 . 1 . . . . 28 E HA . 16957 2 208 . 1 1 24 24 GLU HB2 H 1 2.085 0.05 . 2 . . . . 28 E HB . 16957 2 209 . 1 1 24 24 GLU HB3 H 1 2.085 0.05 . 2 . . . . 28 E HB . 16957 2 210 . 1 1 24 24 GLU HG2 H 1 2.368 0.05 . 2 . . . . 28 E HG2 . 16957 2 211 . 1 1 24 24 GLU HG3 H 1 2.323 0.05 . 2 . . . . 28 E HG3 . 16957 2 212 . 1 1 24 24 GLU CA C 13 59.665 0.2 . 1 . . . . 28 E CA . 16957 2 213 . 1 1 24 24 GLU CB C 13 28.789 0.2 . 1 . . . . 28 E CB . 16957 2 214 . 1 1 24 24 GLU CG C 13 35.746 0.2 . 1 . . . . 28 E CG . 16957 2 215 . 1 1 24 24 GLU N N 15 119.079 0.1 . 1 . . . . 28 E N . 16957 2 216 . 1 1 25 25 LEU H H 1 8.174 0.05 . 1 . . . . 29 L H . 16957 2 217 . 1 1 25 25 LEU HA H 1 4.095 0.05 . 1 . . . . 29 L HA . 16957 2 218 . 1 1 25 25 LEU HB2 H 1 1.771 0.05 . 2 . . . . 29 L HB . 16957 2 219 . 1 1 25 25 LEU HB3 H 1 1.771 0.05 . 2 . . . . 29 L HB . 16957 2 220 . 1 1 25 25 LEU HD11 H 1 0.895 0.05 . 2 . . . . 29 L HD1 . 16957 2 221 . 1 1 25 25 LEU HD12 H 1 0.895 0.05 . 2 . . . . 29 L HD1 . 16957 2 222 . 1 1 25 25 LEU HD13 H 1 0.895 0.05 . 2 . . . . 29 L HD1 . 16957 2 223 . 1 1 25 25 LEU HD21 H 1 1.024 0.05 . 2 . . . . 29 L HD2 . 16957 2 224 . 1 1 25 25 LEU HD22 H 1 1.024 0.05 . 2 . . . . 29 L HD2 . 16957 2 225 . 1 1 25 25 LEU HD23 H 1 1.024 0.05 . 2 . . . . 29 L HD2 . 16957 2 226 . 1 1 25 25 LEU HG H 1 1.640 0.05 . 1 . . . . 29 L HG . 16957 2 227 . 1 1 25 25 LEU CD1 C 13 24.402 0.2 . 2 . . . . 29 L CD1 . 16957 2 228 . 1 1 25 25 LEU N N 15 119.949 0.1 . 1 . . . . 29 L N . 16957 2 229 . 1 1 26 26 GLY H H 1 8.343 0.05 . 1 . . . . 30 G H . 16957 2 230 . 1 1 26 26 GLY HA2 H 1 3.758 0.05 . 2 . . . . 30 G HA . 16957 2 231 . 1 1 26 26 GLY HA3 H 1 3.758 0.05 . 2 . . . . 30 G HA . 16957 2 232 . 1 1 26 26 GLY CA C 13 47.747 0.2 . 1 . . . . 30 G CA . 16957 2 233 . 1 1 26 26 GLY N N 15 108.456 0.1 . 1 . . . . 30 G N . 16957 2 234 . 1 1 27 27 VAL H H 1 8.833 0.05 . 1 . . . . 31 V H . 16957 2 235 . 1 1 27 27 VAL HA H 1 3.530 0.05 . 1 . . . . 31 V HA . 16957 2 236 . 1 1 27 27 VAL HB H 1 2.192 0.05 . 1 . . . . 31 V HB . 16957 2 237 . 1 1 27 27 VAL HG11 H 1 0.903 0.05 . 1 . . . . 31 V HG1 . 16957 2 238 . 1 1 27 27 VAL HG12 H 1 0.903 0.05 . 1 . . . . 31 V HG1 . 16957 2 239 . 1 1 27 27 VAL HG13 H 1 0.903 0.05 . 1 . . . . 31 V HG1 . 16957 2 240 . 1 1 27 27 VAL HG21 H 1 1.016 0.05 . 1 . . . . 31 V HG2 . 16957 2 241 . 1 1 27 27 VAL HG22 H 1 1.016 0.05 . 1 . . . . 31 V HG2 . 16957 2 242 . 1 1 27 27 VAL HG23 H 1 1.016 0.05 . 1 . . . . 31 V HG2 . 16957 2 243 . 1 1 27 27 VAL CB C 13 31.292 0.2 . 1 . . . . 31 V CB . 16957 2 244 . 1 1 27 27 VAL CG1 C 13 20.965 0.2 . 1 . . . . 31 V CG1 . 16957 2 245 . 1 1 27 27 VAL CG2 C 13 22.875 0.2 . 1 . . . . 31 V CG2 . 16957 2 246 . 1 1 27 27 VAL N N 15 122.275 0.1 . 1 . . . . 31 V N . 16957 2 247 . 1 1 28 28 SER H H 1 8.063 0.05 . 1 . . . . 32 S H . 16957 2 248 . 1 1 28 28 SER HA H 1 3.828 0.05 . 1 . . . . 32 S HA . 16957 2 249 . 1 1 28 28 SER HB2 H 1 4.162 0.05 . 2 . . . . 32 S HB . 16957 2 250 . 1 1 28 28 SER HB3 H 1 4.162 0.05 . 2 . . . . 32 S HB . 16957 2 251 . 1 1 28 28 SER CA C 13 62.716 0.2 . 1 . . . . 32 S CA . 16957 2 252 . 1 1 28 28 SER CB C 13 62.690 0.2 . 1 . . . . 32 S CB . 16957 2 253 . 1 1 28 28 SER N N 15 116.961 0.1 . 1 . . . . 32 S N . 16957 2 254 . 1 1 29 29 TYR H H 1 8.466 0.05 . 1 . . . . 33 Y H . 16957 2 255 . 1 1 29 29 TYR HA H 1 4.334 0.05 . 1 . . . . 33 Y HA . 16957 2 256 . 1 1 29 29 TYR HB2 H 1 3.214 0.05 . 2 . . . . 33 Y HB2 . 16957 2 257 . 1 1 29 29 TYR HB3 H 1 3.075 0.05 . 2 . . . . 33 Y HB3 . 16957 2 258 . 1 1 29 29 TYR HD1 H 1 6.930 0.05 . 3 . . . . 33 Y HD1 . 16957 2 259 . 1 1 29 29 TYR HE1 H 1 6.632 0.05 . 3 . . . . 33 Y HE1 . 16957 2 260 . 1 1 29 29 TYR CA C 13 60.162 0.2 . 1 . . . . 33 Y CA . 16957 2 261 . 1 1 29 29 TYR CB C 13 39.861 0.2 . 1 . . . . 33 Y CB . 16957 2 262 . 1 1 29 29 TYR CD1 C 13 131.970 0.2 . 3 . . . . 33 Y CD1 . 16957 2 263 . 1 1 29 29 TYR CE1 C 13 118.393 0.2 . 3 . . . . 33 Y CE1 . 16957 2 264 . 1 1 29 29 TYR N N 15 121.970 0.1 . 1 . . . . 33 Y N . 16957 2 265 . 1 1 30 30 ALA H H 1 8.706 0.05 . 1 . . . . 34 A H . 16957 2 266 . 1 1 30 30 ALA HA H 1 4.070 0.05 . 1 . . . . 34 A HA . 16957 2 267 . 1 1 30 30 ALA HB1 H 1 1.579 0.05 . 1 . . . . 34 A HB . 16957 2 268 . 1 1 30 30 ALA HB2 H 1 1.579 0.05 . 1 . . . . 34 A HB . 16957 2 269 . 1 1 30 30 ALA HB3 H 1 1.579 0.05 . 1 . . . . 34 A HB . 16957 2 270 . 1 1 30 30 ALA N N 15 122.022 0.1 . 1 . . . . 34 A N . 16957 2 271 . 1 1 31 31 ALA H H 1 8.894 0.05 . 1 . . . . 35 A H . 16957 2 272 . 1 1 31 31 ALA HA H 1 4.104 0.05 . 1 . . . . 35 A HA . 16957 2 273 . 1 1 31 31 ALA HB1 H 1 1.623 0.05 . 1 . . . . 35 A HB . 16957 2 274 . 1 1 31 31 ALA HB2 H 1 1.623 0.05 . 1 . . . . 35 A HB . 16957 2 275 . 1 1 31 31 ALA HB3 H 1 1.623 0.05 . 1 . . . . 35 A HB . 16957 2 276 . 1 1 31 31 ALA CA C 13 54.873 0.2 . 1 . . . . 35 A CA . 16957 2 277 . 1 1 31 31 ALA CB C 13 17.212 0.2 . 1 . . . . 35 A CB . 16957 2 278 . 1 1 31 31 ALA N N 15 120.169 0.1 . 1 . . . . 35 A N . 16957 2 279 . 1 1 32 32 LEU H H 1 8.254 0.05 . 1 . . . . 36 L H . 16957 2 280 . 1 1 32 32 LEU HA H 1 3.858 0.05 . 1 . . . . 36 L HA . 16957 2 281 . 1 1 32 32 LEU HB2 H 1 1.932 0.05 . 2 . . . . 36 L HB2 . 16957 2 282 . 1 1 32 32 LEU HB3 H 1 1.788 0.05 . 2 . . . . 36 L HB3 . 16957 2 283 . 1 1 32 32 LEU HD11 H 1 0.735 0.05 . 1 . . . . 36 L HD1 . 16957 2 284 . 1 1 32 32 LEU HD12 H 1 0.735 0.05 . 1 . . . . 36 L HD1 . 16957 2 285 . 1 1 32 32 LEU HD13 H 1 0.735 0.05 . 1 . . . . 36 L HD1 . 16957 2 286 . 1 1 32 32 LEU HD21 H 1 0.686 0.05 . 1 . . . . 36 L HD2 . 16957 2 287 . 1 1 32 32 LEU HD22 H 1 0.686 0.05 . 1 . . . . 36 L HD2 . 16957 2 288 . 1 1 32 32 LEU HD23 H 1 0.686 0.05 . 1 . . . . 36 L HD2 . 16957 2 289 . 1 1 32 32 LEU HG H 1 1.525 0.05 . 1 . . . . 36 L HG . 16957 2 290 . 1 1 32 32 LEU CD1 C 13 24.929 0.2 . 1 . . . . 36 L CD1 . 16957 2 291 . 1 1 32 32 LEU CD2 C 13 22.965 0.2 . 1 . . . . 36 L CD2 . 16957 2 292 . 1 1 32 32 LEU CG C 13 26.719 0.2 . 1 . . . . 36 L CG . 16957 2 293 . 1 1 32 32 LEU N N 15 120.956 0.1 . 1 . . . . 36 L N . 16957 2 294 . 1 1 33 33 LEU H H 1 8.736 0.05 . 1 . . . . 37 L H . 16957 2 295 . 1 1 33 33 LEU HA H 1 3.855 0.05 . 1 . . . . 37 L HA . 16957 2 296 . 1 1 33 33 LEU HB2 H 1 1.818 0.05 . 2 . . . . 37 L HB2 . 16957 2 297 . 1 1 33 33 LEU HB3 H 1 1.445 0.05 . 2 . . . . 37 L HB3 . 16957 2 298 . 1 1 33 33 LEU HD11 H 1 0.691 0.05 . 1 . . . . 37 L HD1 . 16957 2 299 . 1 1 33 33 LEU HD12 H 1 0.691 0.05 . 1 . . . . 37 L HD1 . 16957 2 300 . 1 1 33 33 LEU HD13 H 1 0.691 0.05 . 1 . . . . 37 L HD1 . 16957 2 301 . 1 1 33 33 LEU HD21 H 1 0.874 0.05 . 1 . . . . 37 L HD2 . 16957 2 302 . 1 1 33 33 LEU HD22 H 1 0.874 0.05 . 1 . . . . 37 L HD2 . 16957 2 303 . 1 1 33 33 LEU HD23 H 1 0.874 0.05 . 1 . . . . 37 L HD2 . 16957 2 304 . 1 1 33 33 LEU HG H 1 1.714 0.05 . 1 . . . . 37 L HG . 16957 2 305 . 1 1 33 33 LEU CB C 13 41.000 0.2 . 1 . . . . 37 L CB . 16957 2 306 . 1 1 33 33 LEU CD1 C 13 25.234 0.2 . 1 . . . . 37 L CD1 . 16957 2 307 . 1 1 33 33 LEU CD2 C 13 24.579 0.2 . 1 . . . . 37 L CD2 . 16957 2 308 . 1 1 33 33 LEU N N 15 118.915 0.1 . 1 . . . . 37 L N . 16957 2 309 . 1 1 34 34 SER HA H 1 4.087 0.05 . 1 . . . . 38 S HA . 16957 2 310 . 1 1 34 34 SER HB2 H 1 3.832 0.05 . 2 . . . . 38 S HB . 16957 2 311 . 1 1 34 34 SER HB3 H 1 3.832 0.05 . 2 . . . . 38 S HB . 16957 2 312 . 1 1 34 34 SER CA C 13 62.325 0.2 . 1 . . . . 38 S CA . 16957 2 313 . 1 1 34 34 SER CB C 13 62.306 0.2 . 1 . . . . 38 S CB . 16957 2 314 . 1 1 35 35 VAL H H 1 7.757 0.05 . 1 . . . . 39 V H . 16957 2 315 . 1 1 35 35 VAL HA H 1 3.666 0.05 . 1 . . . . 39 V HA . 16957 2 316 . 1 1 35 35 VAL HB H 1 2.347 0.05 . 1 . . . . 39 V HB . 16957 2 317 . 1 1 35 35 VAL HG11 H 1 0.785 0.05 . 1 . . . . 39 V HG1 . 16957 2 318 . 1 1 35 35 VAL HG12 H 1 0.785 0.05 . 1 . . . . 39 V HG1 . 16957 2 319 . 1 1 35 35 VAL HG13 H 1 0.785 0.05 . 1 . . . . 39 V HG1 . 16957 2 320 . 1 1 35 35 VAL HG21 H 1 0.991 0.05 . 1 . . . . 39 V HG2 . 16957 2 321 . 1 1 35 35 VAL HG22 H 1 0.991 0.05 . 1 . . . . 39 V HG2 . 16957 2 322 . 1 1 35 35 VAL HG23 H 1 0.991 0.05 . 1 . . . . 39 V HG2 . 16957 2 323 . 1 1 35 35 VAL CA C 13 65.865 0.2 . 1 . . . . 39 V CA . 16957 2 324 . 1 1 35 35 VAL CB C 13 31.471 0.2 . 1 . . . . 39 V CB . 16957 2 325 . 1 1 35 35 VAL CG1 C 13 21.118 0.2 . 1 . . . . 39 V CG1 . 16957 2 326 . 1 1 35 35 VAL CG2 C 13 22.984 0.2 . 1 . . . . 39 V CG2 . 16957 2 327 . 1 1 35 35 VAL N N 15 120.200 0.1 . 1 . . . . 39 V N . 16957 2 328 . 1 1 36 36 ILE H H 1 7.552 0.05 . 1 . . . . 40 I H . 16957 2 329 . 1 1 36 36 ILE HA H 1 3.431 0.05 . 1 . . . . 40 I HA . 16957 2 330 . 1 1 36 36 ILE HB H 1 2.111 0.05 . 1 . . . . 40 I HB . 16957 2 331 . 1 1 36 36 ILE HD11 H 1 0.685 0.05 . 1 . . . . 40 I HD1 . 16957 2 332 . 1 1 36 36 ILE HD12 H 1 0.685 0.05 . 1 . . . . 40 I HD1 . 16957 2 333 . 1 1 36 36 ILE HD13 H 1 0.685 0.05 . 1 . . . . 40 I HD1 . 16957 2 334 . 1 1 36 36 ILE HG12 H 1 1.632 0.05 . 2 . . . . 40 I HG12 . 16957 2 335 . 1 1 36 36 ILE HG13 H 1 1.083 0.05 . 2 . . . . 40 I HG13 . 16957 2 336 . 1 1 36 36 ILE HG21 H 1 0.786 0.05 . 1 . . . . 40 I HG2 . 16957 2 337 . 1 1 36 36 ILE HG22 H 1 0.786 0.05 . 1 . . . . 40 I HG2 . 16957 2 338 . 1 1 36 36 ILE HG23 H 1 0.786 0.05 . 1 . . . . 40 I HG2 . 16957 2 339 . 1 1 36 36 ILE CA C 13 65.055 0.2 . 1 . . . . 40 I CA . 16957 2 340 . 1 1 36 36 ILE CB C 13 36.823 0.2 . 1 . . . . 40 I CB . 16957 2 341 . 1 1 36 36 ILE CD1 C 13 11.955 0.2 . 1 . . . . 40 I CD1 . 16957 2 342 . 1 1 36 36 ILE CG1 C 13 28.874 0.2 . 1 . . . . 40 I CG1 . 16957 2 343 . 1 1 36 36 ILE CG2 C 13 17.148 0.2 . 1 . . . . 40 I CG2 . 16957 2 344 . 1 1 36 36 ILE N N 15 119.331 0.1 . 1 . . . . 40 I N . 16957 2 345 . 1 1 37 37 VAL H H 1 8.412 0.05 . 1 . . . . 41 V H . 16957 2 346 . 1 1 37 37 VAL HA H 1 3.474 0.05 . 1 . . . . 41 V HA . 16957 2 347 . 1 1 37 37 VAL HB H 1 2.176 0.05 . 1 . . . . 41 V HB . 16957 2 348 . 1 1 37 37 VAL HG11 H 1 1.072 0.05 . 1 . . . . 41 V HG1 . 16957 2 349 . 1 1 37 37 VAL HG12 H 1 1.072 0.05 . 1 . . . . 41 V HG1 . 16957 2 350 . 1 1 37 37 VAL HG13 H 1 1.072 0.05 . 1 . . . . 41 V HG1 . 16957 2 351 . 1 1 37 37 VAL HG21 H 1 0.965 0.05 . 1 . . . . 41 V HG2 . 16957 2 352 . 1 1 37 37 VAL HG22 H 1 0.965 0.05 . 1 . . . . 41 V HG2 . 16957 2 353 . 1 1 37 37 VAL HG23 H 1 0.965 0.05 . 1 . . . . 41 V HG2 . 16957 2 354 . 1 1 37 37 VAL CA C 13 67.289 0.2 . 1 . . . . 41 V CA . 16957 2 355 . 1 1 37 37 VAL CB C 13 31.253 0.2 . 1 . . . . 41 V CB . 16957 2 356 . 1 1 37 37 VAL CG1 C 13 22.125 0.2 . 1 . . . . 41 V CG1 . 16957 2 357 . 1 1 37 37 VAL CG2 C 13 20.666 0.2 . 1 . . . . 41 V CG2 . 16957 2 358 . 1 1 37 37 VAL N N 15 116.095 0.1 . 1 . . . . 41 V N . 16957 2 359 . 1 1 38 38 VAL H H 1 7.543 0.05 . 1 . . . . 42 V H . 16957 2 360 . 1 1 38 38 VAL HA H 1 4.192 0.05 . 1 . . . . 42 V HA . 16957 2 361 . 1 1 38 38 VAL HB H 1 2.248 0.05 . 1 . . . . 42 V HB . 16957 2 362 . 1 1 38 38 VAL HG11 H 1 1.167 0.05 . 1 . . . . 42 V HG1 . 16957 2 363 . 1 1 38 38 VAL HG12 H 1 1.167 0.05 . 1 . . . . 42 V HG1 . 16957 2 364 . 1 1 38 38 VAL HG13 H 1 1.167 0.05 . 1 . . . . 42 V HG1 . 16957 2 365 . 1 1 38 38 VAL HG21 H 1 1.124 0.05 . 1 . . . . 42 V HG2 . 16957 2 366 . 1 1 38 38 VAL HG22 H 1 1.124 0.05 . 1 . . . . 42 V HG2 . 16957 2 367 . 1 1 38 38 VAL HG23 H 1 1.124 0.05 . 1 . . . . 42 V HG2 . 16957 2 368 . 1 1 38 38 VAL CA C 13 64.572 0.2 . 1 . . . . 42 V CA . 16957 2 369 . 1 1 38 38 VAL CB C 13 31.360 0.2 . 1 . . . . 42 V CB . 16957 2 370 . 1 1 38 38 VAL CG1 C 13 22.384 0.2 . 1 . . . . 42 V CG1 . 16957 2 371 . 1 1 38 38 VAL CG2 C 13 22.849 0.2 . 1 . . . . 42 V CG2 . 16957 2 372 . 1 1 38 38 VAL N N 15 123.550 0.1 . 1 . . . . 42 V N . 16957 2 373 . 1 1 39 39 VAL H H 1 7.868 0.05 . 1 . . . . 43 V H . 16957 2 374 . 1 1 39 39 VAL HA H 1 3.674 0.05 . 1 . . . . 43 V HA . 16957 2 375 . 1 1 39 39 VAL HB H 1 2.270 0.05 . 1 . . . . 43 V HB . 16957 2 376 . 1 1 39 39 VAL HG11 H 1 0.911 0.05 . 1 . . . . 43 V HG1 . 16957 2 377 . 1 1 39 39 VAL HG12 H 1 0.911 0.05 . 1 . . . . 43 V HG1 . 16957 2 378 . 1 1 39 39 VAL HG13 H 1 0.911 0.05 . 1 . . . . 43 V HG1 . 16957 2 379 . 1 1 39 39 VAL HG21 H 1 0.995 0.05 . 1 . . . . 43 V HG2 . 16957 2 380 . 1 1 39 39 VAL HG22 H 1 0.995 0.05 . 1 . . . . 43 V HG2 . 16957 2 381 . 1 1 39 39 VAL HG23 H 1 0.995 0.05 . 1 . . . . 43 V HG2 . 16957 2 382 . 1 1 39 39 VAL CB C 13 31.251 0.2 . 1 . . . . 43 V CB . 16957 2 383 . 1 1 39 39 VAL CG1 C 13 21.750 0.2 . 1 . . . . 43 V CG1 . 16957 2 384 . 1 1 39 39 VAL CG2 C 13 22.964 0.2 . 1 . . . . 43 V CG2 . 16957 2 385 . 1 1 39 39 VAL N N 15 120.868 0.1 . 1 . . . . 43 V N . 16957 2 386 . 1 1 40 40 VAL H H 1 8.592 0.05 . 1 . . . . 44 V H . 16957 2 387 . 1 1 40 40 VAL HA H 1 3.478 0.05 . 1 . . . . 44 V HA . 16957 2 388 . 1 1 40 40 VAL HB H 1 2.254 0.05 . 1 . . . . 44 V HB . 16957 2 389 . 1 1 40 40 VAL HG11 H 1 0.877 0.05 . 1 . . . . 44 V HG1 . 16957 2 390 . 1 1 40 40 VAL HG12 H 1 0.877 0.05 . 1 . . . . 44 V HG1 . 16957 2 391 . 1 1 40 40 VAL HG13 H 1 0.877 0.05 . 1 . . . . 44 V HG1 . 16957 2 392 . 1 1 40 40 VAL HG21 H 1 0.973 0.05 . 1 . . . . 44 V HG2 . 16957 2 393 . 1 1 40 40 VAL HG22 H 1 0.973 0.05 . 1 . . . . 44 V HG2 . 16957 2 394 . 1 1 40 40 VAL HG23 H 1 0.973 0.05 . 1 . . . . 44 V HG2 . 16957 2 395 . 1 1 40 40 VAL CA C 13 67.219 0.2 . 1 . . . . 44 V CA . 16957 2 396 . 1 1 40 40 VAL CB C 13 31.171 0.2 . 1 . . . . 44 V CB . 16957 2 397 . 1 1 40 40 VAL CG1 C 13 22.173 0.2 . 1 . . . . 44 V CG1 . 16957 2 398 . 1 1 40 40 VAL CG2 C 13 23.217 0.2 . 1 . . . . 44 V CG2 . 16957 2 399 . 1 1 40 40 VAL N N 15 121.611 0.1 . 1 . . . . 44 V N . 16957 2 400 . 1 1 41 41 GLU H H 1 8.191 0.05 . 1 . . . . 45 E H . 16957 2 401 . 1 1 41 41 GLU HA H 1 3.662 0.05 . 1 . . . . 45 E HA . 16957 2 402 . 1 1 41 41 GLU HB2 H 1 2.020 0.05 . 2 . . . . 45 E HB . 16957 2 403 . 1 1 41 41 GLU HB3 H 1 2.020 0.05 . 2 . . . . 45 E HB . 16957 2 404 . 1 1 41 41 GLU HG2 H 1 2.415 0.05 . 2 . . . . 45 E HG2 . 16957 2 405 . 1 1 41 41 GLU HG3 H 1 2.151 0.05 . 2 . . . . 45 E HG3 . 16957 2 406 . 1 1 41 41 GLU CA C 13 59.332 0.2 . 1 . . . . 45 E CA . 16957 2 407 . 1 1 41 41 GLU N N 15 119.878 0.1 . 1 . . . . 45 E N . 16957 2 408 . 1 1 42 42 TYR H H 1 7.828 0.05 . 1 . . . . 46 Y H . 16957 2 409 . 1 1 42 42 TYR HA H 1 4.340 0.05 . 1 . . . . 46 Y HA . 16957 2 410 . 1 1 42 42 TYR HB2 H 1 3.127 0.05 . 2 . . . . 46 Y HB . 16957 2 411 . 1 1 42 42 TYR HB3 H 1 3.127 0.05 . 2 . . . . 46 Y HB . 16957 2 412 . 1 1 42 42 TYR HD1 H 1 7.090 0.05 . 3 . . . . 46 Y HD1 . 16957 2 413 . 1 1 42 42 TYR HE1 H 1 6.729 0.05 . 3 . . . . 46 Y HE1 . 16957 2 414 . 1 1 42 42 TYR CA C 13 60.183 0.2 . 1 . . . . 46 Y CA . 16957 2 415 . 1 1 42 42 TYR CB C 13 39.764 0.2 . 1 . . . . 46 Y CB . 16957 2 416 . 1 1 42 42 TYR CD1 C 13 133.160 0.2 . 3 . . . . 46 Y CD1 . 16957 2 417 . 1 1 42 42 TYR CE1 C 13 118.567 0.2 . 3 . . . . 46 Y CE1 . 16957 2 418 . 1 1 42 42 TYR N N 15 114.467 0.1 . 1 . . . . 46 Y N . 16957 2 419 . 1 1 43 43 THR H H 1 7.894 0.05 . 1 . . . . 47 T H . 16957 2 420 . 1 1 43 43 THR HA H 1 4.310 0.05 . 1 . . . . 47 T HA . 16957 2 421 . 1 1 43 43 THR HB H 1 4.162 0.05 . 1 . . . . 47 T HB . 16957 2 422 . 1 1 43 43 THR HG21 H 1 1.317 0.05 . 1 . . . . 47 T HG2 . 16957 2 423 . 1 1 43 43 THR HG22 H 1 1.317 0.05 . 1 . . . . 47 T HG2 . 16957 2 424 . 1 1 43 43 THR HG23 H 1 1.317 0.05 . 1 . . . . 47 T HG2 . 16957 2 425 . 1 1 43 43 THR CA C 13 63.214 0.2 . 1 . . . . 47 T CA . 16957 2 426 . 1 1 43 43 THR CB C 13 70.910 0.2 . 1 . . . . 47 T CB . 16957 2 427 . 1 1 43 43 THR CG2 C 13 22.349 0.2 . 1 . . . . 47 T CG2 . 16957 2 428 . 1 1 43 43 THR N N 15 106.644 0.1 . 1 . . . . 47 T N . 16957 2 429 . 1 1 44 44 MET H H 1 8.024 0.05 . 1 . . . . 48 M H . 16957 2 430 . 1 1 44 44 MET HA H 1 4.599 0.05 . 1 . . . . 48 M HA . 16957 2 431 . 1 1 44 44 MET HB2 H 1 2.613 0.05 . 2 . . . . 48 M HB2 . 16957 2 432 . 1 1 44 44 MET HB3 H 1 2.524 0.05 . 2 . . . . 48 M HB3 . 16957 2 433 . 1 1 44 44 MET HE1 H 1 1.998 0.05 . 1 . . . . 48 M HE . 16957 2 434 . 1 1 44 44 MET HE2 H 1 1.998 0.05 . 1 . . . . 48 M HE . 16957 2 435 . 1 1 44 44 MET HE3 H 1 1.998 0.05 . 1 . . . . 48 M HE . 16957 2 436 . 1 1 44 44 MET HG2 H 1 3.174 0.05 . 2 . . . . 48 M HG . 16957 2 437 . 1 1 44 44 MET HG3 H 1 3.174 0.05 . 2 . . . . 48 M HG . 16957 2 438 . 1 1 44 44 MET CA C 13 55.486 0.2 . 1 . . . . 48 M CA . 16957 2 439 . 1 1 44 44 MET CB C 13 33.100 0.2 . 1 . . . . 48 M CB . 16957 2 440 . 1 1 44 44 MET CE C 13 17.193 0.2 . 1 . . . . 48 M CE . 16957 2 441 . 1 1 44 44 MET N N 15 119.317 0.1 . 1 . . . . 48 M N . 16957 2 442 . 1 1 45 45 GLN H H 1 8.321 0.05 . 1 . . . . 49 Q H . 16957 2 443 . 1 1 45 45 GLN HA H 1 4.282 0.05 . 1 . . . . 49 Q HA . 16957 2 444 . 1 1 45 45 GLN HB2 H 1 2.052 0.05 . 2 . . . . 49 Q HB2 . 16957 2 445 . 1 1 45 45 GLN HB3 H 1 1.948 0.05 . 2 . . . . 49 Q HB3 . 16957 2 446 . 1 1 45 45 GLN HE21 H 1 7.434 0.05 . 2 . . . . 49 Q HE21 . 16957 2 447 . 1 1 45 45 GLN HE22 H 1 6.718 0.05 . 2 . . . . 49 Q HE22 . 16957 2 448 . 1 1 45 45 GLN HG2 H 1 2.245 0.05 . 2 . . . . 49 Q HG . 16957 2 449 . 1 1 45 45 GLN HG3 H 1 2.245 0.05 . 2 . . . . 49 Q HG . 16957 2 450 . 1 1 45 45 GLN CA C 13 55.425 0.2 . 1 . . . . 49 Q CA . 16957 2 451 . 1 1 45 45 GLN CB C 13 27.683 0.2 . 1 . . . . 49 Q CB . 16957 2 452 . 1 1 45 45 GLN CG C 13 33.864 0.2 . 1 . . . . 49 Q CG . 16957 2 453 . 1 1 45 45 GLN N N 15 120.159 0.1 . 1 . . . . 49 Q N . 16957 2 454 . 1 1 45 45 GLN NE2 N 15 111.753 0.1 . 1 . . . . 49 Q NE2 . 16957 2 455 . 1 1 46 46 LEU H H 1 8.159 0.05 . 1 . . . . 50 L H . 16957 2 456 . 1 1 46 46 LEU HA H 1 4.428 0.05 . 1 . . . . 50 L HA . 16957 2 457 . 1 1 46 46 LEU HB2 H 1 1.663 0.05 . 2 . . . . 50 L HB2 . 16957 2 458 . 1 1 46 46 LEU HB3 H 1 1.302 0.05 . 2 . . . . 50 L HB3 . 16957 2 459 . 1 1 46 46 LEU HD11 H 1 0.712 0.05 . 1 . . . . 50 L HD1 . 16957 2 460 . 1 1 46 46 LEU HD12 H 1 0.712 0.05 . 1 . . . . 50 L HD1 . 16957 2 461 . 1 1 46 46 LEU HD13 H 1 0.712 0.05 . 1 . . . . 50 L HD1 . 16957 2 462 . 1 1 46 46 LEU HD21 H 1 0.746 0.05 . 1 . . . . 50 L HD2 . 16957 2 463 . 1 1 46 46 LEU HD22 H 1 0.746 0.05 . 1 . . . . 50 L HD2 . 16957 2 464 . 1 1 46 46 LEU HD23 H 1 0.746 0.05 . 1 . . . . 50 L HD2 . 16957 2 465 . 1 1 46 46 LEU HG H 1 1.524 0.05 . 1 . . . . 50 L HG . 16957 2 466 . 1 1 46 46 LEU CA C 13 54.094 0.2 . 1 . . . . 50 L CA . 16957 2 467 . 1 1 46 46 LEU CB C 13 44.052 0.2 . 1 . . . . 50 L CB . 16957 2 468 . 1 1 46 46 LEU CD1 C 13 26.226 0.2 . 1 . . . . 50 L CD1 . 16957 2 469 . 1 1 46 46 LEU CD2 C 13 23.319 0.2 . 1 . . . . 50 L CD2 . 16957 2 470 . 1 1 46 46 LEU N N 15 122.762 0.1 . 1 . . . . 50 L N . 16957 2 471 . 1 1 47 47 SER H H 1 8.223 0.05 . 1 . . . . 51 S H . 16957 2 472 . 1 1 47 47 SER HA H 1 4.535 0.05 . 1 . . . . 51 S HA . 16957 2 473 . 1 1 47 47 SER HB2 H 1 4.084 0.05 . 2 . . . . 51 S HB2 . 16957 2 474 . 1 1 47 47 SER HB3 H 1 3.915 0.05 . 2 . . . . 51 S HB3 . 16957 2 475 . 1 1 47 47 SER CA C 13 56.932 0.2 . 1 . . . . 51 S CA . 16957 2 476 . 1 1 47 47 SER CB C 13 64.939 0.2 . 1 . . . . 51 S CB . 16957 2 477 . 1 1 47 47 SER N N 15 114.557 0.1 . 1 . . . . 51 S N . 16957 2 478 . 1 1 48 48 GLY H H 1 8.931 0.05 . 1 . . . . 52 G H . 16957 2 479 . 1 1 48 48 GLY HA2 H 1 4.023 0.05 . 2 . . . . 52 G HA2 . 16957 2 480 . 1 1 48 48 GLY HA3 H 1 3.791 0.05 . 2 . . . . 52 G HA3 . 16957 2 481 . 1 1 48 48 GLY CA C 13 47.431 0.2 . 1 . . . . 52 G CA . 16957 2 482 . 1 1 48 48 GLY N N 15 109.287 0.1 . 1 . . . . 52 G N . 16957 2 483 . 1 1 49 49 GLU H H 1 8.952 0.05 . 1 . . . . 53 E H . 16957 2 484 . 1 1 49 49 GLU HA H 1 3.972 0.05 . 1 . . . . 53 E HA . 16957 2 485 . 1 1 49 49 GLU HB2 H 1 1.949 0.05 . 2 . . . . 53 E HB2 . 16957 2 486 . 1 1 49 49 GLU HB3 H 1 1.836 0.05 . 2 . . . . 53 E HB3 . 16957 2 487 . 1 1 49 49 GLU HG2 H 1 2.058 0.05 . 2 . . . . 53 E HG . 16957 2 488 . 1 1 49 49 GLU HG3 H 1 2.058 0.05 . 2 . . . . 53 E HG . 16957 2 489 . 1 1 49 49 GLU CA C 13 59.220 0.2 . 1 . . . . 53 E CA . 16957 2 490 . 1 1 49 49 GLU CB C 13 29.220 0.2 . 1 . . . . 53 E CB . 16957 2 491 . 1 1 49 49 GLU CG C 13 36.044 0.2 . 1 . . . . 53 E CG . 16957 2 492 . 1 1 49 49 GLU N N 15 121.710 0.1 . 1 . . . . 53 E N . 16957 2 493 . 1 1 50 50 TYR H H 1 7.786 0.05 . 1 . . . . 54 Y H . 16957 2 494 . 1 1 50 50 TYR HA H 1 4.225 0.05 . 1 . . . . 54 Y HA . 16957 2 495 . 1 1 50 50 TYR HB2 H 1 3.159 0.05 . 2 . . . . 54 Y HB2 . 16957 2 496 . 1 1 50 50 TYR HB3 H 1 2.952 0.05 . 2 . . . . 54 Y HB3 . 16957 2 497 . 1 1 50 50 TYR HD1 H 1 7.072 0.05 . 3 . . . . 54 Y HD1 . 16957 2 498 . 1 1 50 50 TYR HE1 H 1 6.816 0.05 . 3 . . . . 54 Y HE1 . 16957 2 499 . 1 1 50 50 TYR CA C 13 60.512 0.2 . 1 . . . . 54 Y CA . 16957 2 500 . 1 1 50 50 TYR CB C 13 37.866 0.2 . 1 . . . . 54 Y CB . 16957 2 501 . 1 1 50 50 TYR CD1 C 13 132.417 0.2 . 3 . . . . 54 Y CD1 . 16957 2 502 . 1 1 50 50 TYR CE1 C 13 119.009 0.2 . 3 . . . . 54 Y CE1 . 16957 2 503 . 1 1 50 50 TYR N N 15 118.283 0.1 . 1 . . . . 54 Y N . 16957 2 504 . 1 1 51 51 LEU H H 1 7.838 0.05 . 1 . . . . 55 L H . 16957 2 505 . 1 1 51 51 LEU HA H 1 3.794 0.05 . 1 . . . . 55 L HA . 16957 2 506 . 1 1 51 51 LEU HB2 H 1 1.644 0.05 . 2 . . . . 55 L HB2 . 16957 2 507 . 1 1 51 51 LEU HB3 H 1 1.436 0.05 . 2 . . . . 55 L HB3 . 16957 2 508 . 1 1 51 51 LEU HD11 H 1 0.768 0.05 . 1 . . . . 55 L HD1 . 16957 2 509 . 1 1 51 51 LEU HD12 H 1 0.768 0.05 . 1 . . . . 55 L HD1 . 16957 2 510 . 1 1 51 51 LEU HD13 H 1 0.768 0.05 . 1 . . . . 55 L HD1 . 16957 2 511 . 1 1 51 51 LEU HD21 H 1 0.898 0.05 . 1 . . . . 55 L HD2 . 16957 2 512 . 1 1 51 51 LEU HD22 H 1 0.898 0.05 . 1 . . . . 55 L HD2 . 16957 2 513 . 1 1 51 51 LEU HD23 H 1 0.898 0.05 . 1 . . . . 55 L HD2 . 16957 2 514 . 1 1 51 51 LEU HG H 1 1.390 0.05 . 1 . . . . 55 L HG . 16957 2 515 . 1 1 51 51 LEU CA C 13 57.444 0.2 . 1 . . . . 55 L CA . 16957 2 516 . 1 1 51 51 LEU CD1 C 13 23.790 0.2 . 1 . . . . 55 L CD1 . 16957 2 517 . 1 1 51 51 LEU CD2 C 13 24.384 0.2 . 1 . . . . 55 L CD2 . 16957 2 518 . 1 1 51 51 LEU CG C 13 26.598 0.2 . 1 . . . . 55 L CG . 16957 2 519 . 1 1 51 51 LEU N N 15 121.296 0.1 . 1 . . . . 55 L N . 16957 2 520 . 1 1 52 52 VAL H H 1 7.817 0.05 . 1 . . . . 56 V H . 16957 2 521 . 1 1 52 52 VAL HA H 1 3.600 0.05 . 1 . . . . 56 V HA . 16957 2 522 . 1 1 52 52 VAL HB H 1 2.184 0.05 . 1 . . . . 56 V HB . 16957 2 523 . 1 1 52 52 VAL HG11 H 1 0.968 0.05 . 1 . . . . 56 V HG1 . 16957 2 524 . 1 1 52 52 VAL HG12 H 1 0.968 0.05 . 1 . . . . 56 V HG1 . 16957 2 525 . 1 1 52 52 VAL HG13 H 1 0.968 0.05 . 1 . . . . 56 V HG1 . 16957 2 526 . 1 1 52 52 VAL HG21 H 1 1.100 0.05 . 1 . . . . 56 V HG2 . 16957 2 527 . 1 1 52 52 VAL HG22 H 1 1.100 0.05 . 1 . . . . 56 V HG2 . 16957 2 528 . 1 1 52 52 VAL HG23 H 1 1.100 0.05 . 1 . . . . 56 V HG2 . 16957 2 529 . 1 1 52 52 VAL CA C 13 67.453 0.2 . 1 . . . . 56 V CA . 16957 2 530 . 1 1 52 52 VAL CB C 13 31.229 0.2 . 1 . . . . 56 V CB . 16957 2 531 . 1 1 52 52 VAL CG1 C 13 21.475 0.2 . 1 . . . . 56 V CG1 . 16957 2 532 . 1 1 52 52 VAL CG2 C 13 23.097 0.2 . 1 . . . . 56 V CG2 . 16957 2 533 . 1 1 52 52 VAL N N 15 116.403 0.1 . 1 . . . . 56 V N . 16957 2 534 . 1 1 53 53 ARG H H 1 7.519 0.05 . 1 . . . . 57 R H . 16957 2 535 . 1 1 53 53 ARG HA H 1 3.868 0.05 . 1 . . . . 57 R HA . 16957 2 536 . 1 1 53 53 ARG HB2 H 1 2.002 0.05 . 2 . . . . 57 R HB2 . 16957 2 537 . 1 1 53 53 ARG HB3 H 1 1.559 0.05 . 2 . . . . 57 R HB3 . 16957 2 538 . 1 1 53 53 ARG HD2 H 1 3.115 0.05 . 2 . . . . 57 R HD2 . 16957 2 539 . 1 1 53 53 ARG HD3 H 1 2.957 0.05 . 2 . . . . 57 R HD3 . 16957 2 540 . 1 1 53 53 ARG HG2 H 1 1.769 0.05 . 2 . . . . 57 R HG . 16957 2 541 . 1 1 53 53 ARG HG3 H 1 1.769 0.05 . 2 . . . . 57 R HG . 16957 2 542 . 1 1 53 53 ARG CA C 13 60.152 0.2 . 1 . . . . 57 R CA . 16957 2 543 . 1 1 53 53 ARG CB C 13 28.718 0.2 . 1 . . . . 57 R CB . 16957 2 544 . 1 1 53 53 ARG CD C 13 43.681 0.2 . 1 . . . . 57 R CD . 16957 2 545 . 1 1 53 53 ARG N N 15 116.562 0.1 . 1 . . . . 57 R N . 16957 2 546 . 1 1 54 54 LEU H H 1 8.022 0.05 . 1 . . . . 58 L H . 16957 2 547 . 1 1 54 54 LEU HA H 1 3.798 0.05 . 1 . . . . 58 L HA . 16957 2 548 . 1 1 54 54 LEU HB2 H 1 1.871 0.05 . 2 . . . . 58 L HB . 16957 2 549 . 1 1 54 54 LEU HB3 H 1 1.871 0.05 . 2 . . . . 58 L HB . 16957 2 550 . 1 1 54 54 LEU HD11 H 1 0.848 0.05 . 1 . . . . 58 L HD1 . 16957 2 551 . 1 1 54 54 LEU HD12 H 1 0.848 0.05 . 1 . . . . 58 L HD1 . 16957 2 552 . 1 1 54 54 LEU HD13 H 1 0.848 0.05 . 1 . . . . 58 L HD1 . 16957 2 553 . 1 1 54 54 LEU HD21 H 1 0.625 0.05 . 1 . . . . 58 L HD2 . 16957 2 554 . 1 1 54 54 LEU HD22 H 1 0.625 0.05 . 1 . . . . 58 L HD2 . 16957 2 555 . 1 1 54 54 LEU HD23 H 1 0.625 0.05 . 1 . . . . 58 L HD2 . 16957 2 556 . 1 1 54 54 LEU HG H 1 1.429 0.05 . 1 . . . . 58 L HG . 16957 2 557 . 1 1 54 54 LEU CA C 13 58.727 0.2 . 1 . . . . 58 L CA . 16957 2 558 . 1 1 54 54 LEU CD1 C 13 24.863 0.2 . 1 . . . . 58 L CD1 . 16957 2 559 . 1 1 54 54 LEU CD2 C 13 24.801 0.2 . 1 . . . . 58 L CD2 . 16957 2 560 . 1 1 54 54 LEU CG C 13 26.613 0.2 . 1 . . . . 58 L CG . 16957 2 561 . 1 1 54 54 LEU N N 15 120.281 0.1 . 1 . . . . 58 L N . 16957 2 562 . 1 1 55 55 TYR H H 1 8.376 0.05 . 1 . . . . 59 Y H . 16957 2 563 . 1 1 55 55 TYR HA H 1 4.650 0.05 . 1 . . . . 59 Y HA . 16957 2 564 . 1 1 55 55 TYR HB2 H 1 3.133 0.05 . 2 . . . . 59 Y HB2 . 16957 2 565 . 1 1 55 55 TYR HB3 H 1 2.979 0.05 . 2 . . . . 59 Y HB3 . 16957 2 566 . 1 1 55 55 TYR HD1 H 1 6.796 0.05 . 3 . . . . 59 Y HD1 . 16957 2 567 . 1 1 55 55 TYR HE1 H 1 6.525 0.05 . 3 . . . . 59 Y HE1 . 16957 2 568 . 1 1 55 55 TYR CA C 13 58.500 0.2 . 1 . . . . 59 Y CA . 16957 2 569 . 1 1 55 55 TYR CD1 C 13 131.451 0.2 . 3 . . . . 59 Y CD1 . 16957 2 570 . 1 1 55 55 TYR CE1 C 13 118.085 0.2 . 3 . . . . 59 Y CE1 . 16957 2 571 . 1 1 55 55 TYR N N 15 116.514 0.1 . 1 . . . . 59 Y N . 16957 2 572 . 1 1 56 56 LEU H H 1 8.478 0.05 . 1 . . . . 60 L H . 16957 2 573 . 1 1 56 56 LEU HA H 1 4.283 0.05 . 1 . . . . 60 L HA . 16957 2 574 . 1 1 56 56 LEU HB2 H 1 1.980 0.05 . 2 . . . . 60 L HB2 . 16957 2 575 . 1 1 56 56 LEU HB3 H 1 1.627 0.05 . 2 . . . . 60 L HB3 . 16957 2 576 . 1 1 56 56 LEU HD11 H 1 0.869 0.05 . 1 . . . . 60 L HD1 . 16957 2 577 . 1 1 56 56 LEU HD12 H 1 0.869 0.05 . 1 . . . . 60 L HD1 . 16957 2 578 . 1 1 56 56 LEU HD13 H 1 0.869 0.05 . 1 . . . . 60 L HD1 . 16957 2 579 . 1 1 56 56 LEU HD21 H 1 0.857 0.05 . 1 . . . . 60 L HD2 . 16957 2 580 . 1 1 56 56 LEU HD22 H 1 0.857 0.05 . 1 . . . . 60 L HD2 . 16957 2 581 . 1 1 56 56 LEU HD23 H 1 0.857 0.05 . 1 . . . . 60 L HD2 . 16957 2 582 . 1 1 56 56 LEU HG H 1 1.899 0.05 . 1 . . . . 60 L HG . 16957 2 583 . 1 1 56 56 LEU CA C 13 57.825 0.2 . 1 . . . . 60 L CA . 16957 2 584 . 1 1 56 56 LEU CB C 13 41.499 0.2 . 1 . . . . 60 L CB . 16957 2 585 . 1 1 56 56 LEU CD1 C 13 25.047 0.2 . 1 . . . . 60 L CD1 . 16957 2 586 . 1 1 56 56 LEU CD2 C 13 23.564 0.2 . 1 . . . . 60 L CD2 . 16957 2 587 . 1 1 56 56 LEU CG C 13 26.922 0.2 . 1 . . . . 60 L CG . 16957 2 588 . 1 1 56 56 LEU N N 15 123.375 0.1 . 1 . . . . 60 L N . 16957 2 589 . 1 1 57 57 VAL H H 1 8.227 0.05 . 1 . . . . 61 V H . 16957 2 590 . 1 1 57 57 VAL HA H 1 3.511 0.05 . 1 . . . . 61 V HA . 16957 2 591 . 1 1 57 57 VAL HB H 1 2.318 0.05 . 1 . . . . 61 V HB . 16957 2 592 . 1 1 57 57 VAL HG11 H 1 0.865 0.05 . 1 . . . . 61 V HG1 . 16957 2 593 . 1 1 57 57 VAL HG12 H 1 0.865 0.05 . 1 . . . . 61 V HG1 . 16957 2 594 . 1 1 57 57 VAL HG13 H 1 0.865 0.05 . 1 . . . . 61 V HG1 . 16957 2 595 . 1 1 57 57 VAL HG21 H 1 1.031 0.05 . 1 . . . . 61 V HG2 . 16957 2 596 . 1 1 57 57 VAL HG22 H 1 1.031 0.05 . 1 . . . . 61 V HG2 . 16957 2 597 . 1 1 57 57 VAL HG23 H 1 1.031 0.05 . 1 . . . . 61 V HG2 . 16957 2 598 . 1 1 57 57 VAL CA C 13 67.226 0.2 . 1 . . . . 61 V CA . 16957 2 599 . 1 1 57 57 VAL CB C 13 31.022 0.2 . 1 . . . . 61 V CB . 16957 2 600 . 1 1 57 57 VAL CG1 C 13 20.992 0.2 . 1 . . . . 61 V CG1 . 16957 2 601 . 1 1 57 57 VAL CG2 C 13 23.551 0.2 . 1 . . . . 61 V CG2 . 16957 2 602 . 1 1 57 57 VAL N N 15 119.547 0.1 . 1 . . . . 61 V N . 16957 2 603 . 1 1 58 58 ASP H H 1 8.509 0.05 . 1 . . . . 62 D H . 16957 2 604 . 1 1 58 58 ASP HA H 1 4.269 0.05 . 1 . . . . 62 D HA . 16957 2 605 . 1 1 58 58 ASP HB2 H 1 2.876 0.05 . 2 . . . . 62 D HB2 . 16957 2 606 . 1 1 58 58 ASP HB3 H 1 2.746 0.05 . 2 . . . . 62 D HB3 . 16957 2 607 . 1 1 58 58 ASP CA C 13 58.114 0.2 . 1 . . . . 62 D CA . 16957 2 608 . 1 1 58 58 ASP CB C 13 41.052 0.2 . 1 . . . . 62 D CB . 16957 2 609 . 1 1 58 58 ASP N N 15 117.960 0.1 . 1 . . . . 62 D N . 16957 2 610 . 1 1 59 59 LEU H H 1 7.771 0.05 . 1 . . . . 63 L H . 16957 2 611 . 1 1 59 59 LEU HA H 1 4.039 0.05 . 1 . . . . 63 L HA . 16957 2 612 . 1 1 59 59 LEU HB2 H 1 2.195 0.05 . 2 . . . . 63 L HB2 . 16957 2 613 . 1 1 59 59 LEU HB3 H 1 1.736 0.05 . 2 . . . . 63 L HB3 . 16957 2 614 . 1 1 59 59 LEU HD11 H 1 0.862 0.05 . 1 . . . . 63 L HD1 . 16957 2 615 . 1 1 59 59 LEU HD12 H 1 0.862 0.05 . 1 . . . . 63 L HD1 . 16957 2 616 . 1 1 59 59 LEU HD13 H 1 0.862 0.05 . 1 . . . . 63 L HD1 . 16957 2 617 . 1 1 59 59 LEU HD21 H 1 0.842 0.05 . 1 . . . . 63 L HD2 . 16957 2 618 . 1 1 59 59 LEU HD22 H 1 0.842 0.05 . 1 . . . . 63 L HD2 . 16957 2 619 . 1 1 59 59 LEU HD23 H 1 0.842 0.05 . 1 . . . . 63 L HD2 . 16957 2 620 . 1 1 59 59 LEU HG H 1 1.646 0.05 . 1 . . . . 63 L HG . 16957 2 621 . 1 1 59 59 LEU CB C 13 41.755 0.2 . 1 . . . . 63 L CB . 16957 2 622 . 1 1 59 59 LEU CD1 C 13 24.053 0.2 . 1 . . . . 63 L CD1 . 16957 2 623 . 1 1 59 59 LEU CD2 C 13 25.741 0.2 . 1 . . . . 63 L CD2 . 16957 2 624 . 1 1 59 59 LEU N N 15 117.155 0.1 . 1 . . . . 63 L N . 16957 2 625 . 1 1 60 60 ILE H H 1 7.733 0.05 . 1 . . . . 64 I H . 16957 2 626 . 1 1 60 60 ILE HA H 1 3.551 0.05 . 1 . . . . 64 I HA . 16957 2 627 . 1 1 60 60 ILE HB H 1 2.088 0.05 . 1 . . . . 64 I HB . 16957 2 628 . 1 1 60 60 ILE HD11 H 1 0.771 0.05 . 1 . . . . 64 I HD1 . 16957 2 629 . 1 1 60 60 ILE HD12 H 1 0.771 0.05 . 1 . . . . 64 I HD1 . 16957 2 630 . 1 1 60 60 ILE HD13 H 1 0.771 0.05 . 1 . . . . 64 I HD1 . 16957 2 631 . 1 1 60 60 ILE HG12 H 1 1.758 0.05 . 2 . . . . 64 I HG12 . 16957 2 632 . 1 1 60 60 ILE HG13 H 1 1.183 0.05 . 2 . . . . 64 I HG13 . 16957 2 633 . 1 1 60 60 ILE HG21 H 1 0.833 0.05 . 1 . . . . 64 I HG2 . 16957 2 634 . 1 1 60 60 ILE HG22 H 1 0.833 0.05 . 1 . . . . 64 I HG2 . 16957 2 635 . 1 1 60 60 ILE HG23 H 1 0.833 0.05 . 1 . . . . 64 I HG2 . 16957 2 636 . 1 1 60 60 ILE CA C 13 64.980 0.2 . 1 . . . . 64 I CA . 16957 2 637 . 1 1 60 60 ILE CB C 13 36.949 0.2 . 1 . . . . 64 I CB . 16957 2 638 . 1 1 60 60 ILE CD1 C 13 12.530 0.2 . 1 . . . . 64 I CD1 . 16957 2 639 . 1 1 60 60 ILE CG1 C 13 28.974 0.2 . 1 . . . . 64 I CG1 . 16957 2 640 . 1 1 60 60 ILE CG2 C 13 17.053 0.2 . 1 . . . . 64 I CG2 . 16957 2 641 . 1 1 60 60 ILE N N 15 117.203 0.1 . 1 . . . . 64 I N . 16957 2 642 . 1 1 61 61 LEU H H 1 8.066 0.05 . 1 . . . . 65 L H . 16957 2 643 . 1 1 61 61 LEU HA H 1 3.974 0.05 . 1 . . . . 65 L HA . 16957 2 644 . 1 1 61 61 LEU HB2 H 1 2.238 0.05 . 2 . . . . 65 L HB2 . 16957 2 645 . 1 1 61 61 LEU HB3 H 1 2.153 0.05 . 2 . . . . 65 L HB3 . 16957 2 646 . 1 1 61 61 LEU HD11 H 1 0.883 0.05 . 1 . . . . 65 L HD1 . 16957 2 647 . 1 1 61 61 LEU HD12 H 1 0.883 0.05 . 1 . . . . 65 L HD1 . 16957 2 648 . 1 1 61 61 LEU HD13 H 1 0.883 0.05 . 1 . . . . 65 L HD1 . 16957 2 649 . 1 1 61 61 LEU HD21 H 1 0.842 0.05 . 1 . . . . 65 L HD2 . 16957 2 650 . 1 1 61 61 LEU HD22 H 1 0.842 0.05 . 1 . . . . 65 L HD2 . 16957 2 651 . 1 1 61 61 LEU HD23 H 1 0.842 0.05 . 1 . . . . 65 L HD2 . 16957 2 652 . 1 1 61 61 LEU HG H 1 1.263 0.05 . 1 . . . . 65 L HG . 16957 2 653 . 1 1 61 61 LEU CD1 C 13 24.913 0.2 . 1 . . . . 65 L CD1 . 16957 2 654 . 1 1 61 61 LEU CD2 C 13 22.049 0.2 . 1 . . . . 65 L CD2 . 16957 2 655 . 1 1 61 61 LEU N N 15 117.168 0.1 . 1 . . . . 65 L N . 16957 2 656 . 1 1 62 62 VAL H H 1 8.762 0.05 . 1 . . . . 66 V H . 16957 2 657 . 1 1 62 62 VAL HA H 1 3.701 0.05 . 1 . . . . 66 V HA . 16957 2 658 . 1 1 62 62 VAL HB H 1 2.285 0.05 . 1 . . . . 66 V HB . 16957 2 659 . 1 1 62 62 VAL HG11 H 1 0.822 0.05 . 1 . . . . 66 V HG1 . 16957 2 660 . 1 1 62 62 VAL HG12 H 1 0.822 0.05 . 1 . . . . 66 V HG1 . 16957 2 661 . 1 1 62 62 VAL HG13 H 1 0.822 0.05 . 1 . . . . 66 V HG1 . 16957 2 662 . 1 1 62 62 VAL HG21 H 1 0.987 0.05 . 1 . . . . 66 V HG2 . 16957 2 663 . 1 1 62 62 VAL HG22 H 1 0.987 0.05 . 1 . . . . 66 V HG2 . 16957 2 664 . 1 1 62 62 VAL HG23 H 1 0.987 0.05 . 1 . . . . 66 V HG2 . 16957 2 665 . 1 1 62 62 VAL CA C 13 66.270 0.2 . 1 . . . . 66 V CA . 16957 2 666 . 1 1 62 62 VAL CB C 13 31.249 0.2 . 1 . . . . 66 V CB . 16957 2 667 . 1 1 62 62 VAL CG1 C 13 22.601 0.2 . 1 . . . . 66 V CG1 . 16957 2 668 . 1 1 62 62 VAL CG2 C 13 23.616 0.2 . 1 . . . . 66 V CG2 . 16957 2 669 . 1 1 62 62 VAL N N 15 116.626 0.1 . 1 . . . . 66 V N . 16957 2 670 . 1 1 63 63 ILE H H 1 8.096 0.05 . 1 . . . . 67 I H . 16957 2 671 . 1 1 63 63 ILE HA H 1 3.537 0.05 . 1 . . . . 67 I HA . 16957 2 672 . 1 1 63 63 ILE HB H 1 2.082 0.05 . 1 . . . . 67 I HB . 16957 2 673 . 1 1 63 63 ILE HD11 H 1 0.671 0.05 . 1 . . . . 67 I HD1 . 16957 2 674 . 1 1 63 63 ILE HD12 H 1 0.671 0.05 . 1 . . . . 67 I HD1 . 16957 2 675 . 1 1 63 63 ILE HD13 H 1 0.671 0.05 . 1 . . . . 67 I HD1 . 16957 2 676 . 1 1 63 63 ILE HG12 H 1 2.070 0.05 . 2 . . . . 67 I HG12 . 16957 2 677 . 1 1 63 63 ILE HG13 H 1 1.799 0.05 . 2 . . . . 67 I HG13 . 16957 2 678 . 1 1 63 63 ILE HG21 H 1 0.842 0.05 . 1 . . . . 67 I HG2 . 16957 2 679 . 1 1 63 63 ILE HG22 H 1 0.842 0.05 . 1 . . . . 67 I HG2 . 16957 2 680 . 1 1 63 63 ILE HG23 H 1 0.842 0.05 . 1 . . . . 67 I HG2 . 16957 2 681 . 1 1 63 63 ILE CB C 13 36.807 0.2 . 1 . . . . 67 I CB . 16957 2 682 . 1 1 63 63 ILE CD1 C 13 13.081 0.2 . 1 . . . . 67 I CD1 . 16957 2 683 . 1 1 63 63 ILE CG2 C 13 17.007 0.2 . 1 . . . . 67 I CG2 . 16957 2 684 . 1 1 63 63 ILE N N 15 121.594 0.1 . 1 . . . . 67 I N . 16957 2 685 . 1 1 64 64 ILE H H 1 7.565 0.05 . 1 . . . . 68 I H . 16957 2 686 . 1 1 64 64 ILE HA H 1 3.542 0.05 . 1 . . . . 68 I HA . 16957 2 687 . 1 1 64 64 ILE HB H 1 2.237 0.05 . 1 . . . . 68 I HB . 16957 2 688 . 1 1 64 64 ILE HD11 H 1 0.786 0.05 . 1 . . . . 68 I HD1 . 16957 2 689 . 1 1 64 64 ILE HD12 H 1 0.786 0.05 . 1 . . . . 68 I HD1 . 16957 2 690 . 1 1 64 64 ILE HD13 H 1 0.786 0.05 . 1 . . . . 68 I HD1 . 16957 2 691 . 1 1 64 64 ILE HG12 H 1 1.936 0.05 . 2 . . . . 68 I HG12 . 16957 2 692 . 1 1 64 64 ILE HG13 H 1 0.957 0.05 . 2 . . . . 68 I HG13 . 16957 2 693 . 1 1 64 64 ILE HG21 H 1 0.819 0.05 . 1 . . . . 68 I HG2 . 16957 2 694 . 1 1 64 64 ILE HG22 H 1 0.819 0.05 . 1 . . . . 68 I HG2 . 16957 2 695 . 1 1 64 64 ILE HG23 H 1 0.819 0.05 . 1 . . . . 68 I HG2 . 16957 2 696 . 1 1 64 64 ILE CA C 13 65.933 0.2 . 1 . . . . 68 I CA . 16957 2 697 . 1 1 64 64 ILE CB C 13 37.147 0.2 . 1 . . . . 68 I CB . 16957 2 698 . 1 1 64 64 ILE CD1 C 13 13.243 0.2 . 1 . . . . 68 I CD1 . 16957 2 699 . 1 1 64 64 ILE CG1 C 13 29.042 0.2 . 1 . . . . 68 I CG1 . 16957 2 700 . 1 1 64 64 ILE CG2 C 13 17.106 0.2 . 1 . . . . 68 I CG2 . 16957 2 701 . 1 1 64 64 ILE N N 15 119.433 0.1 . 1 . . . . 68 I N . 16957 2 702 . 1 1 65 65 LEU H H 1 8.123 0.05 . 1 . . . . 69 L H . 16957 2 703 . 1 1 65 65 LEU HA H 1 4.189 0.05 . 1 . . . . 69 L HA . 16957 2 704 . 1 1 65 65 LEU HB2 H 1 2.020 0.05 . 2 . . . . 69 L HB . 16957 2 705 . 1 1 65 65 LEU HB3 H 1 2.020 0.05 . 2 . . . . 69 L HB . 16957 2 706 . 1 1 65 65 LEU HD11 H 1 0.768 0.05 . 1 . . . . 69 L HD1 . 16957 2 707 . 1 1 65 65 LEU HD12 H 1 0.768 0.05 . 1 . . . . 69 L HD1 . 16957 2 708 . 1 1 65 65 LEU HD13 H 1 0.768 0.05 . 1 . . . . 69 L HD1 . 16957 2 709 . 1 1 65 65 LEU HD21 H 1 0.844 0.05 . 1 . . . . 69 L HD2 . 16957 2 710 . 1 1 65 65 LEU HD22 H 1 0.844 0.05 . 1 . . . . 69 L HD2 . 16957 2 711 . 1 1 65 65 LEU HD23 H 1 0.844 0.05 . 1 . . . . 69 L HD2 . 16957 2 712 . 1 1 65 65 LEU HG H 1 1.542 0.05 . 1 . . . . 69 L HG . 16957 2 713 . 1 1 65 65 LEU CA C 13 58.629 0.2 . 1 . . . . 69 L CA . 16957 2 714 . 1 1 65 65 LEU CD1 C 13 24.821 0.2 . 1 . . . . 69 L CD1 . 16957 2 715 . 1 1 65 65 LEU CD2 C 13 22.187 0.2 . 1 . . . . 69 L CD2 . 16957 2 716 . 1 1 65 65 LEU N N 15 118.166 0.1 . 1 . . . . 69 L N . 16957 2 717 . 1 1 66 66 TRP H H 1 9.686 0.05 . 1 . . . . 70 W H . 16957 2 718 . 1 1 66 66 TRP HA H 1 3.764 0.05 . 1 . . . . 70 W HA . 16957 2 719 . 1 1 66 66 TRP HB2 H 1 3.189 0.05 . 2 . . . . 70 W HB . 16957 2 720 . 1 1 66 66 TRP HB3 H 1 3.189 0.05 . 2 . . . . 70 W HB . 16957 2 721 . 1 1 66 66 TRP HD1 H 1 7.145 0.05 . 1 . . . . 70 W HD1 . 16957 2 722 . 1 1 66 66 TRP HE1 H 1 10.284 0.05 . 1 . . . . 70 W HE1 . 16957 2 723 . 1 1 66 66 TRP HE3 H 1 7.497 0.05 . 1 . . . . 70 W HE3 . 16957 2 724 . 1 1 66 66 TRP HH2 H 1 6.827 0.05 . 1 . . . . 70 W HH2 . 16957 2 725 . 1 1 66 66 TRP HZ2 H 1 7.032 0.05 . 1 . . . . 70 W HZ2 . 16957 2 726 . 1 1 66 66 TRP HZ3 H 1 6.844 0.05 . 1 . . . . 70 W HZ3 . 16957 2 727 . 1 1 66 66 TRP CD1 C 13 126.270 0.2 . 1 . . . . 70 W CD1 . 16957 2 728 . 1 1 66 66 TRP CE3 C 13 120.667 0.2 . 1 . . . . 70 W CE3 . 16957 2 729 . 1 1 66 66 TRP CH2 C 13 123.512 0.2 . 1 . . . . 70 W CH2 . 16957 2 730 . 1 1 66 66 TRP CZ2 C 13 114.223 0.2 . 1 . . . . 70 W CZ2 . 16957 2 731 . 1 1 66 66 TRP CZ3 C 13 121.518 0.2 . 1 . . . . 70 W CZ3 . 16957 2 732 . 1 1 66 66 TRP N N 15 123.968 0.1 . 1 . . . . 70 W N . 16957 2 733 . 1 1 66 66 TRP NE1 N 15 127.753 0.1 . 1 . . . . 70 W NE1 . 16957 2 734 . 1 1 67 67 ALA H H 1 8.360 0.05 . 1 . . . . 71 A H . 16957 2 735 . 1 1 67 67 ALA HA H 1 4.013 0.05 . 1 . . . . 71 A HA . 16957 2 736 . 1 1 67 67 ALA HB1 H 1 1.543 0.05 . 1 . . . . 71 A HB . 16957 2 737 . 1 1 67 67 ALA HB2 H 1 1.543 0.05 . 1 . . . . 71 A HB . 16957 2 738 . 1 1 67 67 ALA HB3 H 1 1.543 0.05 . 1 . . . . 71 A HB . 16957 2 739 . 1 1 67 67 ALA CA C 13 55.672 0.2 . 1 . . . . 71 A CA . 16957 2 740 . 1 1 67 67 ALA CB C 13 17.393 0.2 . 1 . . . . 71 A CB . 16957 2 741 . 1 1 67 67 ALA N N 15 121.656 0.1 . 1 . . . . 71 A N . 16957 2 742 . 1 1 68 68 ASP H H 1 7.801 0.05 . 1 . . . . 72 D H . 16957 2 743 . 1 1 68 68 ASP HA H 1 4.435 0.05 . 1 . . . . 72 D HA . 16957 2 744 . 1 1 68 68 ASP HB2 H 1 2.744 0.05 . 2 . . . . 72 D HB . 16957 2 745 . 1 1 68 68 ASP HB3 H 1 2.744 0.05 . 2 . . . . 72 D HB . 16957 2 746 . 1 1 68 68 ASP CA C 13 57.485 0.2 . 1 . . . . 72 D CA . 16957 2 747 . 1 1 68 68 ASP CB C 13 41.129 0.2 . 1 . . . . 72 D CB . 16957 2 748 . 1 1 68 68 ASP N N 15 116.132 0.1 . 1 . . . . 72 D N . 16957 2 749 . 1 1 69 69 TYR H H 1 8.316 0.05 . 1 . . . . 73 Y H . 16957 2 750 . 1 1 69 69 TYR HA H 1 4.037 0.05 . 1 . . . . 73 Y HA . 16957 2 751 . 1 1 69 69 TYR HB2 H 1 3.165 0.05 . 2 . . . . 73 Y HB2 . 16957 2 752 . 1 1 69 69 TYR HB3 H 1 2.981 0.05 . 2 . . . . 73 Y HB3 . 16957 2 753 . 1 1 69 69 TYR HD1 H 1 6.904 0.05 . 3 . . . . 73 Y HD1 . 16957 2 754 . 1 1 69 69 TYR HE1 H 1 6.517 0.05 . 3 . . . . 73 Y HE1 . 16957 2 755 . 1 1 69 69 TYR CA C 13 62.361 0.2 . 1 . . . . 73 Y CA . 16957 2 756 . 1 1 69 69 TYR CD1 C 13 132.855 0.2 . 3 . . . . 73 Y CD1 . 16957 2 757 . 1 1 69 69 TYR CE1 C 13 117.738 0.2 . 3 . . . . 73 Y CE1 . 16957 2 758 . 1 1 69 69 TYR N N 15 120.661 0.1 . 1 . . . . 73 Y N . 16957 2 759 . 1 1 70 70 ALA H H 1 9.183 0.05 . 1 . . . . 74 A H . 16957 2 760 . 1 1 70 70 ALA HA H 1 3.870 0.05 . 1 . . . . 74 A HA . 16957 2 761 . 1 1 70 70 ALA HB1 H 1 1.503 0.05 . 1 . . . . 74 A HB . 16957 2 762 . 1 1 70 70 ALA HB2 H 1 1.503 0.05 . 1 . . . . 74 A HB . 16957 2 763 . 1 1 70 70 ALA HB3 H 1 1.503 0.05 . 1 . . . . 74 A HB . 16957 2 764 . 1 1 70 70 ALA CA C 13 54.990 0.2 . 1 . . . . 74 A CA . 16957 2 765 . 1 1 70 70 ALA CB C 13 18.290 0.2 . 1 . . . . 74 A CB . 16957 2 766 . 1 1 70 70 ALA N N 15 118.700 0.1 . 1 . . . . 74 A N . 16957 2 767 . 1 1 71 71 TYR H H 1 8.403 0.05 . 1 . . . . 75 Y H . 16957 2 768 . 1 1 71 71 TYR HA H 1 4.123 0.05 . 1 . . . . 75 Y HA . 16957 2 769 . 1 1 71 71 TYR HB2 H 1 3.274 0.05 . 2 . . . . 75 Y HB2 . 16957 2 770 . 1 1 71 71 TYR HB3 H 1 3.156 0.05 . 2 . . . . 75 Y HB3 . 16957 2 771 . 1 1 71 71 TYR HD1 H 1 7.041 0.05 . 3 . . . . 75 Y HD1 . 16957 2 772 . 1 1 71 71 TYR HE1 H 1 6.747 0.05 . 3 . . . . 75 Y HE1 . 16957 2 773 . 1 1 71 71 TYR CA C 13 62.104 0.2 . 1 . . . . 75 Y CA . 16957 2 774 . 1 1 71 71 TYR CD1 C 13 133.515 0.2 . 3 . . . . 75 Y CD1 . 16957 2 775 . 1 1 71 71 TYR CE1 C 13 118.575 0.2 . 3 . . . . 75 Y CE1 . 16957 2 776 . 1 1 71 71 TYR N N 15 117.909 0.1 . 1 . . . . 75 Y N . 16957 2 777 . 1 1 72 72 ARG H H 1 8.204 0.05 . 1 . . . . 76 R H . 16957 2 778 . 1 1 72 72 ARG HA H 1 3.345 0.05 . 1 . . . . 76 R HA . 16957 2 779 . 1 1 72 72 ARG HB2 H 1 1.781 0.05 . 2 . . . . 76 R HB . 16957 2 780 . 1 1 72 72 ARG HB3 H 1 1.781 0.05 . 2 . . . . 76 R HB . 16957 2 781 . 1 1 72 72 ARG HD2 H 1 3.163 0.05 . 2 . . . . 76 R HD2 . 16957 2 782 . 1 1 72 72 ARG HD3 H 1 2.976 0.05 . 2 . . . . 76 R HD3 . 16957 2 783 . 1 1 72 72 ARG HG2 H 1 1.466 0.05 . 2 . . . . 76 R HG . 16957 2 784 . 1 1 72 72 ARG HG3 H 1 1.466 0.05 . 2 . . . . 76 R HG . 16957 2 785 . 1 1 72 72 ARG N N 15 119.279 0.1 . 1 . . . . 76 R N . 16957 2 786 . 1 1 73 73 ALA H H 1 8.168 0.05 . 1 . . . . 77 A H . 16957 2 787 . 1 1 73 73 ALA HA H 1 2.925 0.05 . 1 . . . . 77 A HA . 16957 2 788 . 1 1 73 73 ALA HB1 H 1 1.074 0.05 . 1 . . . . 77 A HB . 16957 2 789 . 1 1 73 73 ALA HB2 H 1 1.074 0.05 . 1 . . . . 77 A HB . 16957 2 790 . 1 1 73 73 ALA HB3 H 1 1.074 0.05 . 1 . . . . 77 A HB . 16957 2 791 . 1 1 73 73 ALA CA C 13 54.391 0.2 . 1 . . . . 77 A CA . 16957 2 792 . 1 1 73 73 ALA CB C 13 16.880 0.2 . 1 . . . . 77 A CB . 16957 2 793 . 1 1 73 73 ALA N N 15 121.818 0.1 . 1 . . . . 77 A N . 16957 2 794 . 1 1 74 74 TYR H H 1 8.453 0.05 . 1 . . . . 78 Y H . 16957 2 795 . 1 1 74 74 TYR HA H 1 3.919 0.05 . 1 . . . . 78 Y HA . 16957 2 796 . 1 1 74 74 TYR HB2 H 1 2.995 0.05 . 2 . . . . 78 Y HB2 . 16957 2 797 . 1 1 74 74 TYR HB3 H 1 2.943 0.05 . 2 . . . . 78 Y HB3 . 16957 2 798 . 1 1 74 74 TYR HD1 H 1 6.999 0.05 . 3 . . . . 78 Y HD1 . 16957 2 799 . 1 1 74 74 TYR HE1 H 1 6.885 0.05 . 3 . . . . 78 Y HE1 . 16957 2 800 . 1 1 74 74 TYR CA C 13 61.709 0.2 . 1 . . . . 78 Y CA . 16957 2 801 . 1 1 74 74 TYR CB C 13 38.009 0.2 . 1 . . . . 78 Y CB . 16957 2 802 . 1 1 74 74 TYR CD1 C 13 133.303 0.2 . 3 . . . . 78 Y CD1 . 16957 2 803 . 1 1 74 74 TYR CE1 C 13 119.586 0.2 . 3 . . . . 78 Y CE1 . 16957 2 804 . 1 1 74 74 TYR N N 15 119.929 0.1 . 1 . . . . 78 Y N . 16957 2 805 . 1 1 75 75 LYS H H 1 8.648 0.05 . 1 . . . . 79 K H . 16957 2 806 . 1 1 75 75 LYS HA H 1 3.607 0.05 . 1 . . . . 79 K HA . 16957 2 807 . 1 1 75 75 LYS HB2 H 1 1.381 0.05 . 2 . . . . 79 K HB2 . 16957 2 808 . 1 1 75 75 LYS HB3 H 1 1.333 0.05 . 2 . . . . 79 K HB3 . 16957 2 809 . 1 1 75 75 LYS HD2 H 1 1.444 0.05 . 2 . . . . 79 K HD2 . 16957 2 810 . 1 1 75 75 LYS HD3 H 1 1.385 0.05 . 2 . . . . 79 K HD3 . 16957 2 811 . 1 1 75 75 LYS HE2 H 1 2.853 0.05 . 2 . . . . 79 K HE2 . 16957 2 812 . 1 1 75 75 LYS HE3 H 1 2.792 0.05 . 2 . . . . 79 K HE3 . 16957 2 813 . 1 1 75 75 LYS HG2 H 1 1.112 0.05 . 2 . . . . 79 K HG2 . 16957 2 814 . 1 1 75 75 LYS HG3 H 1 1.058 0.05 . 2 . . . . 79 K HG3 . 16957 2 815 . 1 1 75 75 LYS CA C 13 57.422 0.2 . 1 . . . . 79 K CA . 16957 2 816 . 1 1 75 75 LYS CB C 13 31.154 0.2 . 1 . . . . 79 K CB . 16957 2 817 . 1 1 75 75 LYS CD C 13 28.482 0.2 . 1 . . . . 79 K CD . 16957 2 818 . 1 1 75 75 LYS CE C 13 41.522 0.2 . 1 . . . . 79 K CE . 16957 2 819 . 1 1 75 75 LYS CG C 13 24.223 0.2 . 1 . . . . 79 K CG . 16957 2 820 . 1 1 75 75 LYS N N 15 121.450 0.1 . 1 . . . . 79 K N . 16957 2 821 . 1 1 76 76 SER H H 1 7.147 0.05 . 1 . . . . 80 S H . 16957 2 822 . 1 1 76 76 SER HA H 1 4.013 0.05 . 1 . . . . 80 S HA . 16957 2 823 . 1 1 76 76 SER HB2 H 1 3.709 0.05 . 2 . . . . 80 S HB . 16957 2 824 . 1 1 76 76 SER HB3 H 1 3.709 0.05 . 2 . . . . 80 S HB . 16957 2 825 . 1 1 76 76 SER CA C 13 60.416 0.2 . 1 . . . . 80 S CA . 16957 2 826 . 1 1 76 76 SER CB C 13 63.990 0.2 . 1 . . . . 80 S CB . 16957 2 827 . 1 1 76 76 SER N N 15 113.299 0.1 . 1 . . . . 80 S N . 16957 2 828 . 1 1 77 77 GLY H H 1 7.327 0.05 . 1 . . . . 81 G H . 16957 2 829 . 1 1 77 77 GLY HA2 H 1 4.279 0.05 . 2 . . . . 81 G HA2 . 16957 2 830 . 1 1 77 77 GLY HA3 H 1 3.695 0.05 . 2 . . . . 81 G HA3 . 16957 2 831 . 1 1 77 77 GLY CA C 13 45.055 0.2 . 1 . . . . 81 G CA . 16957 2 832 . 1 1 77 77 GLY N N 15 109.246 0.1 . 1 . . . . 81 G N . 16957 2 833 . 1 1 78 78 ASP H H 1 7.798 0.05 . 1 . . . . 82 D H . 16957 2 834 . 1 1 78 78 ASP HA H 1 4.854 0.05 . 1 . . . . 82 D HA . 16957 2 835 . 1 1 78 78 ASP HB2 H 1 2.637 0.05 . 2 . . . . 82 D HB . 16957 2 836 . 1 1 78 78 ASP HB3 H 1 2.637 0.05 . 2 . . . . 82 D HB . 16957 2 837 . 1 1 78 78 ASP CA C 13 51.267 0.2 . 1 . . . . 82 D CA . 16957 2 838 . 1 1 78 78 ASP CB C 13 40.349 0.2 . 1 . . . . 82 D CB . 16957 2 839 . 1 1 78 78 ASP N N 15 116.273 0.1 . 1 . . . . 82 D N . 16957 2 840 . 1 1 79 79 PRO HA H 1 3.993 0.05 . 1 . . . . 83 P HA . 16957 2 841 . 1 1 79 79 PRO HB2 H 1 1.817 0.05 . 2 . . . . 83 P HB2 . 16957 2 842 . 1 1 79 79 PRO HB3 H 1 1.635 0.05 . 2 . . . . 83 P HB3 . 16957 2 843 . 1 1 79 79 PRO HD2 H 1 3.885 0.05 . 2 . . . . 83 P HD2 . 16957 2 844 . 1 1 79 79 PRO HD3 H 1 3.386 0.05 . 2 . . . . 83 P HD3 . 16957 2 845 . 1 1 79 79 PRO HG2 H 1 2.064 0.05 . 2 . . . . 83 P HG2 . 16957 2 846 . 1 1 79 79 PRO HG3 H 1 1.716 0.05 . 2 . . . . 83 P HG3 . 16957 2 847 . 1 1 79 79 PRO CA C 13 65.411 0.2 . 1 . . . . 83 P CA . 16957 2 848 . 1 1 79 79 PRO CB C 13 31.742 0.2 . 1 . . . . 83 P CB . 16957 2 849 . 1 1 79 79 PRO CD C 13 49.719 0.2 . 1 . . . . 83 P CD . 16957 2 850 . 1 1 79 79 PRO CG C 13 27.331 0.2 . 1 . . . . 83 P CG . 16957 2 851 . 1 1 80 80 ALA H H 1 8.233 0.05 . 1 . . . . 84 A H . 16957 2 852 . 1 1 80 80 ALA HA H 1 4.002 0.05 . 1 . . . . 84 A HA . 16957 2 853 . 1 1 80 80 ALA HB1 H 1 1.461 0.05 . 1 . . . . 84 A HB . 16957 2 854 . 1 1 80 80 ALA HB2 H 1 1.461 0.05 . 1 . . . . 84 A HB . 16957 2 855 . 1 1 80 80 ALA HB3 H 1 1.461 0.05 . 1 . . . . 84 A HB . 16957 2 856 . 1 1 80 80 ALA CA C 13 55.234 0.2 . 1 . . . . 84 A CA . 16957 2 857 . 1 1 80 80 ALA CB C 13 18.279 0.2 . 1 . . . . 84 A CB . 16957 2 858 . 1 1 80 80 ALA N N 15 118.073 0.1 . 1 . . . . 84 A N . 16957 2 859 . 1 1 81 81 GLY H H 1 7.756 0.05 . 1 . . . . 85 G H . 16957 2 860 . 1 1 81 81 GLY HA2 H 1 3.857 0.05 . 2 . . . . 85 G HA2 . 16957 2 861 . 1 1 81 81 GLY HA3 H 1 3.745 0.05 . 2 . . . . 85 G HA3 . 16957 2 862 . 1 1 81 81 GLY CA C 13 46.891 0.2 . 1 . . . . 85 G CA . 16957 2 863 . 1 1 81 81 GLY N N 15 106.529 0.1 . 1 . . . . 85 G N . 16957 2 864 . 1 1 82 82 TYR H H 1 8.662 0.05 . 1 . . . . 86 Y H . 16957 2 865 . 1 1 82 82 TYR HA H 1 3.829 0.05 . 1 . . . . 86 Y HA . 16957 2 866 . 1 1 82 82 TYR HB2 H 1 3.203 0.05 . 2 . . . . 86 Y HB2 . 16957 2 867 . 1 1 82 82 TYR HB3 H 1 2.921 0.05 . 2 . . . . 86 Y HB3 . 16957 2 868 . 1 1 82 82 TYR HD1 H 1 6.653 0.05 . 3 . . . . 86 Y HD1 . 16957 2 869 . 1 1 82 82 TYR HE1 H 1 6.447 0.05 . 3 . . . . 86 Y HE1 . 16957 2 870 . 1 1 82 82 TYR CA C 13 62.257 0.2 . 1 . . . . 86 Y CA . 16957 2 871 . 1 1 82 82 TYR CB C 13 38.945 0.2 . 1 . . . . 86 Y CB . 16957 2 872 . 1 1 82 82 TYR CD1 C 13 132.876 0.2 . 3 . . . . 86 Y CD1 . 16957 2 873 . 1 1 82 82 TYR CE1 C 13 119.007 0.2 . 3 . . . . 86 Y CE1 . 16957 2 874 . 1 1 82 82 TYR N N 15 124.312 0.1 . 1 . . . . 86 Y N . 16957 2 875 . 1 1 83 83 VAL H H 1 8.156 0.05 . 1 . . . . 87 V H . 16957 2 876 . 1 1 83 83 VAL HA H 1 3.730 0.05 . 1 . . . . 87 V HA . 16957 2 877 . 1 1 83 83 VAL HB H 1 2.152 0.05 . 1 . . . . 87 V HB . 16957 2 878 . 1 1 83 83 VAL HG11 H 1 0.927 0.05 . 1 . . . . 87 V HG1 . 16957 2 879 . 1 1 83 83 VAL HG12 H 1 0.927 0.05 . 1 . . . . 87 V HG1 . 16957 2 880 . 1 1 83 83 VAL HG13 H 1 0.927 0.05 . 1 . . . . 87 V HG1 . 16957 2 881 . 1 1 83 83 VAL HG21 H 1 1.155 0.05 . 1 . . . . 87 V HG2 . 16957 2 882 . 1 1 83 83 VAL HG22 H 1 1.155 0.05 . 1 . . . . 87 V HG2 . 16957 2 883 . 1 1 83 83 VAL HG23 H 1 1.155 0.05 . 1 . . . . 87 V HG2 . 16957 2 884 . 1 1 83 83 VAL CA C 13 65.059 0.2 . 1 . . . . 87 V CA . 16957 2 885 . 1 1 83 83 VAL CB C 13 31.538 0.2 . 1 . . . . 87 V CB . 16957 2 886 . 1 1 83 83 VAL CG1 C 13 21.179 0.2 . 1 . . . . 87 V CG1 . 16957 2 887 . 1 1 83 83 VAL CG2 C 13 22.314 0.2 . 1 . . . . 87 V CG2 . 16957 2 888 . 1 1 83 83 VAL N N 15 120.900 0.1 . 1 . . . . 87 V N . 16957 2 889 . 1 1 84 84 LYS H H 1 7.285 0.05 . 1 . . . . 88 K H . 16957 2 890 . 1 1 84 84 LYS HA H 1 3.799 0.05 . 1 . . . . 88 K HA . 16957 2 891 . 1 1 84 84 LYS HB2 H 1 1.902 0.05 . 2 . . . . 88 K HB . 16957 2 892 . 1 1 84 84 LYS HB3 H 1 1.902 0.05 . 2 . . . . 88 K HB . 16957 2 893 . 1 1 84 84 LYS HD2 H 1 1.695 0.05 . 2 . . . . 88 K HD . 16957 2 894 . 1 1 84 84 LYS HD3 H 1 1.695 0.05 . 2 . . . . 88 K HD . 16957 2 895 . 1 1 84 84 LYS HE2 H 1 2.923 0.05 . 2 . . . . 88 K HE . 16957 2 896 . 1 1 84 84 LYS HE3 H 1 2.923 0.05 . 2 . . . . 88 K HE . 16957 2 897 . 1 1 84 84 LYS HG2 H 1 1.647 0.05 . 2 . . . . 88 K HG2 . 16957 2 898 . 1 1 84 84 LYS HG3 H 1 1.427 0.05 . 2 . . . . 88 K HG3 . 16957 2 899 . 1 1 84 84 LYS CA C 13 59.685 0.2 . 1 . . . . 88 K CA . 16957 2 900 . 1 1 84 84 LYS CB C 13 32.208 0.2 . 1 . . . . 88 K CB . 16957 2 901 . 1 1 84 84 LYS CD C 13 29.199 0.2 . 1 . . . . 88 K CD . 16957 2 902 . 1 1 84 84 LYS CE C 13 41.752 0.2 . 1 . . . . 88 K CE . 16957 2 903 . 1 1 84 84 LYS CG C 13 25.776 0.2 . 1 . . . . 88 K CG . 16957 2 904 . 1 1 84 84 LYS N N 15 115.177 0.1 . 1 . . . . 88 K N . 16957 2 905 . 1 1 85 85 LYS H H 1 7.392 0.05 . 1 . . . . 89 K H . 16957 2 906 . 1 1 85 85 LYS HA H 1 4.315 0.05 . 1 . . . . 89 K HA . 16957 2 907 . 1 1 85 85 LYS HB2 H 1 1.841 0.05 . 2 . . . . 89 K HB2 . 16957 2 908 . 1 1 85 85 LYS HB3 H 1 1.805 0.05 . 2 . . . . 89 K HB3 . 16957 2 909 . 1 1 85 85 LYS HD2 H 1 1.594 0.05 . 2 . . . . 89 K HD . 16957 2 910 . 1 1 85 85 LYS HD3 H 1 1.594 0.05 . 2 . . . . 89 K HD . 16957 2 911 . 1 1 85 85 LYS HE2 H 1 2.882 0.05 . 2 . . . . 89 K HE . 16957 2 912 . 1 1 85 85 LYS HE3 H 1 2.882 0.05 . 2 . . . . 89 K HE . 16957 2 913 . 1 1 85 85 LYS HG2 H 1 1.486 0.05 . 2 . . . . 89 K HG2 . 16957 2 914 . 1 1 85 85 LYS HG3 H 1 1.455 0.05 . 2 . . . . 89 K HG3 . 16957 2 915 . 1 1 85 85 LYS CA C 13 57.341 0.2 . 1 . . . . 89 K CA . 16957 2 916 . 1 1 85 85 LYS CB C 13 33.122 0.2 . 1 . . . . 89 K CB . 16957 2 917 . 1 1 85 85 LYS CD C 13 29.214 0.2 . 1 . . . . 89 K CD . 16957 2 918 . 1 1 85 85 LYS CE C 13 41.753 0.2 . 1 . . . . 89 K CE . 16957 2 919 . 1 1 85 85 LYS CG C 13 24.927 0.2 . 1 . . . . 89 K CG . 16957 2 920 . 1 1 85 85 LYS N N 15 115.547 0.1 . 1 . . . . 89 K N . 16957 2 921 . 1 1 86 86 THR H H 1 7.571 0.05 . 1 . . . . 90 T H . 16957 2 922 . 1 1 86 86 THR HA H 1 4.308 0.05 . 1 . . . . 90 T HA . 16957 2 923 . 1 1 86 86 THR HB H 1 4.545 0.05 . 1 . . . . 90 T HB . 16957 2 924 . 1 1 86 86 THR HG21 H 1 0.602 0.05 . 1 . . . . 90 T HG2 . 16957 2 925 . 1 1 86 86 THR HG22 H 1 0.602 0.05 . 1 . . . . 90 T HG2 . 16957 2 926 . 1 1 86 86 THR HG23 H 1 0.602 0.05 . 1 . . . . 90 T HG2 . 16957 2 927 . 1 1 86 86 THR CA C 13 60.356 0.2 . 1 . . . . 90 T CA . 16957 2 928 . 1 1 86 86 THR CB C 13 68.343 0.2 . 1 . . . . 90 T CB . 16957 2 929 . 1 1 86 86 THR CG2 C 13 20.517 0.2 . 1 . . . . 90 T CG2 . 16957 2 930 . 1 1 86 86 THR N N 15 109.728 0.1 . 1 . . . . 90 T N . 16957 2 931 . 1 1 87 87 LEU H H 1 7.246 0.05 . 1 . . . . 91 L H . 16957 2 932 . 1 1 87 87 LEU HA H 1 3.927 0.05 . 1 . . . . 91 L HA . 16957 2 933 . 1 1 87 87 LEU HB2 H 1 1.791 0.05 . 2 . . . . 91 L HB2 . 16957 2 934 . 1 1 87 87 LEU HB3 H 1 1.414 0.05 . 2 . . . . 91 L HB3 . 16957 2 935 . 1 1 87 87 LEU HD11 H 1 0.840 0.05 . 1 . . . . 91 L HD1 . 16957 2 936 . 1 1 87 87 LEU HD12 H 1 0.840 0.05 . 1 . . . . 91 L HD1 . 16957 2 937 . 1 1 87 87 LEU HD13 H 1 0.840 0.05 . 1 . . . . 91 L HD1 . 16957 2 938 . 1 1 87 87 LEU HD21 H 1 0.905 0.05 . 1 . . . . 91 L HD2 . 16957 2 939 . 1 1 87 87 LEU HD22 H 1 0.905 0.05 . 1 . . . . 91 L HD2 . 16957 2 940 . 1 1 87 87 LEU HD23 H 1 0.905 0.05 . 1 . . . . 91 L HD2 . 16957 2 941 . 1 1 87 87 LEU HG H 1 1.959 0.05 . 1 . . . . 91 L HG . 16957 2 942 . 1 1 87 87 LEU CA C 13 57.900 0.2 . 1 . . . . 91 L CA . 16957 2 943 . 1 1 87 87 LEU CB C 13 42.492 0.2 . 1 . . . . 91 L CB . 16957 2 944 . 1 1 87 87 LEU CD1 C 13 27.300 0.2 . 1 . . . . 91 L CD1 . 16957 2 945 . 1 1 87 87 LEU CD2 C 13 25.341 0.2 . 1 . . . . 91 L CD2 . 16957 2 946 . 1 1 87 87 LEU CG C 13 26.377 0.2 . 1 . . . . 91 L CG . 16957 2 947 . 1 1 87 87 LEU N N 15 122.110 0.1 . 1 . . . . 91 L N . 16957 2 948 . 1 1 88 88 TYR H H 1 7.269 0.05 . 1 . . . . 92 Y H . 16957 2 949 . 1 1 88 88 TYR HA H 1 4.116 0.05 . 1 . . . . 92 Y HA . 16957 2 950 . 1 1 88 88 TYR HB2 H 1 3.137 0.05 . 1 . . . . 92 Y HB2 . 16957 2 951 . 1 1 88 88 TYR HB3 H 1 2.891 0.05 . 1 . . . . 92 Y HB3 . 16957 2 952 . 1 1 88 88 TYR HD1 H 1 7.024 0.05 . 3 . . . . 92 Y HD . 16957 2 953 . 1 1 88 88 TYR HD2 H 1 7.024 0.05 . 3 . . . . 92 Y HD . 16957 2 954 . 1 1 88 88 TYR HE1 H 1 6.751 0.05 . 3 . . . . 92 Y HE . 16957 2 955 . 1 1 88 88 TYR HE2 H 1 6.751 0.05 . 3 . . . . 92 Y HE . 16957 2 956 . 1 1 88 88 TYR CA C 13 57.936 0.2 . 1 . . . . 92 Y CA . 16957 2 957 . 1 1 88 88 TYR CB C 13 37.039 0.2 . 1 . . . . 92 Y CB . 16957 2 958 . 1 1 88 88 TYR CD1 C 13 133.382 0.2 . 3 . . . . 92 Y CD . 16957 2 959 . 1 1 88 88 TYR CD2 C 13 133.382 0.2 . 3 . . . . 92 Y CD . 16957 2 960 . 1 1 88 88 TYR CE1 C 13 118.549 0.2 . 3 . . . . 92 Y CE . 16957 2 961 . 1 1 88 88 TYR CE2 C 13 118.549 0.2 . 3 . . . . 92 Y CE . 16957 2 962 . 1 1 88 88 TYR N N 15 110.498 0.1 . 1 . . . . 92 Y N . 16957 2 963 . 1 1 89 89 GLU H H 1 7.901 0.05 . 1 . . . . 93 E H . 16957 2 964 . 1 1 89 89 GLU HA H 1 4.020 0.05 . 1 . . . . 93 E HA . 16957 2 965 . 1 1 89 89 GLU HB2 H 1 1.889 0.05 . 2 . . . . 93 E HB . 16957 2 966 . 1 1 89 89 GLU HB3 H 1 1.889 0.05 . 2 . . . . 93 E HB . 16957 2 967 . 1 1 89 89 GLU HG2 H 1 1.996 0.05 . 2 . . . . 93 E HG . 16957 2 968 . 1 1 89 89 GLU HG3 H 1 1.996 0.05 . 2 . . . . 93 E HG . 16957 2 969 . 1 1 89 89 GLU CA C 13 58.062 0.2 . 1 . . . . 93 E CA . 16957 2 970 . 1 1 89 89 GLU CB C 13 30.726 0.2 . 1 . . . . 93 E CB . 16957 2 971 . 1 1 89 89 GLU CG C 13 38.220 0.2 . 1 . . . . 93 E CG . 16957 2 972 . 1 1 89 89 GLU N N 15 119.929 0.1 . 1 . . . . 93 E N . 16957 2 973 . 1 1 90 90 ILE H H 1 7.336 0.05 . 1 . . . . 94 I H . 16957 2 974 . 1 1 90 90 ILE HA H 1 3.466 0.05 . 1 . . . . 94 I HA . 16957 2 975 . 1 1 90 90 ILE HB H 1 2.082 0.05 . 1 . . . . 94 I HB . 16957 2 976 . 1 1 90 90 ILE HD11 H 1 0.725 0.05 . 1 . . . . 94 I HD1 . 16957 2 977 . 1 1 90 90 ILE HD12 H 1 0.725 0.05 . 1 . . . . 94 I HD1 . 16957 2 978 . 1 1 90 90 ILE HD13 H 1 0.725 0.05 . 1 . . . . 94 I HD1 . 16957 2 979 . 1 1 90 90 ILE HG12 H 1 1.490 0.05 . 2 . . . . 94 I HG12 . 16957 2 980 . 1 1 90 90 ILE HG13 H 1 1.173 0.05 . 2 . . . . 94 I HG13 . 16957 2 981 . 1 1 90 90 ILE HG21 H 1 0.695 0.05 . 1 . . . . 94 I HG2 . 16957 2 982 . 1 1 90 90 ILE HG22 H 1 0.695 0.05 . 1 . . . . 94 I HG2 . 16957 2 983 . 1 1 90 90 ILE HG23 H 1 0.695 0.05 . 1 . . . . 94 I HG2 . 16957 2 984 . 1 1 90 90 ILE CA C 13 64.941 0.2 . 1 . . . . 94 I CA . 16957 2 985 . 1 1 90 90 ILE CB C 13 34.398 0.2 . 1 . . . . 94 I CB . 16957 2 986 . 1 1 90 90 ILE CD1 C 13 11.693 0.2 . 1 . . . . 94 I CD1 . 16957 2 987 . 1 1 90 90 ILE CG1 C 13 28.893 0.2 . 1 . . . . 94 I CG1 . 16957 2 988 . 1 1 90 90 ILE CG2 C 13 17.263 0.2 . 1 . . . . 94 I CG2 . 16957 2 989 . 1 1 90 90 ILE N N 15 117.084 0.1 . 1 . . . . 94 I N . 16957 2 990 . 1 1 91 91 PRO HA H 1 3.981 0.05 . 1 . . . . 95 P HA . 16957 2 991 . 1 1 91 91 PRO HB2 H 1 1.986 0.05 . 2 . . . . 95 P HB2 . 16957 2 992 . 1 1 91 91 PRO HB3 H 1 1.909 0.05 . 2 . . . . 95 P HB3 . 16957 2 993 . 1 1 91 91 PRO HD2 H 1 3.762 0.05 . 2 . . . . 95 P HD2 . 16957 2 994 . 1 1 91 91 PRO HD3 H 1 3.600 0.05 . 2 . . . . 95 P HD3 . 16957 2 995 . 1 1 91 91 PRO HG2 H 1 1.684 0.05 . 2 . . . . 95 P HG2 . 16957 2 996 . 1 1 91 91 PRO HG3 H 1 1.558 0.05 . 2 . . . . 95 P HG3 . 16957 2 997 . 1 1 91 91 PRO CA C 13 65.715 0.2 . 1 . . . . 95 P CA . 16957 2 998 . 1 1 92 92 ALA H H 1 7.117 0.05 . 1 . . . . 96 A H . 16957 2 999 . 1 1 92 92 ALA HA H 1 4.009 0.05 . 1 . . . . 96 A HA . 16957 2 1000 . 1 1 92 92 ALA HB1 H 1 1.332 0.05 . 1 . . . . 96 A HB . 16957 2 1001 . 1 1 92 92 ALA HB2 H 1 1.332 0.05 . 1 . . . . 96 A HB . 16957 2 1002 . 1 1 92 92 ALA HB3 H 1 1.332 0.05 . 1 . . . . 96 A HB . 16957 2 1003 . 1 1 92 92 ALA CA C 13 53.963 0.2 . 1 . . . . 96 A CA . 16957 2 1004 . 1 1 92 92 ALA CB C 13 19.616 0.2 . 1 . . . . 96 A CB . 16957 2 1005 . 1 1 92 92 ALA N N 15 112.345 0.1 . 1 . . . . 96 A N . 16957 2 1006 . 1 1 93 93 LEU H H 1 7.595 0.05 . 1 . . . . 97 L H . 16957 2 1007 . 1 1 93 93 LEU HA H 1 3.989 0.05 . 1 . . . . 97 L HA . 16957 2 1008 . 1 1 93 93 LEU HB2 H 1 1.545 0.05 . 2 . . . . 97 L HB . 16957 2 1009 . 1 1 93 93 LEU HB3 H 1 1.545 0.05 . 2 . . . . 97 L HB . 16957 2 1010 . 1 1 93 93 LEU HD11 H 1 -0.215 0.05 . 1 . . . . 97 L HD1 . 16957 2 1011 . 1 1 93 93 LEU HD12 H 1 -0.215 0.05 . 1 . . . . 97 L HD1 . 16957 2 1012 . 1 1 93 93 LEU HD13 H 1 -0.215 0.05 . 1 . . . . 97 L HD1 . 16957 2 1013 . 1 1 93 93 LEU HD21 H 1 0.343 0.05 . 1 . . . . 97 L HD2 . 16957 2 1014 . 1 1 93 93 LEU HD22 H 1 0.343 0.05 . 1 . . . . 97 L HD2 . 16957 2 1015 . 1 1 93 93 LEU HD23 H 1 0.343 0.05 . 1 . . . . 97 L HD2 . 16957 2 1016 . 1 1 93 93 LEU HG H 1 1.472 0.05 . 1 . . . . 97 L HG . 16957 2 1017 . 1 1 93 93 LEU CA C 13 53.785 0.2 . 1 . . . . 97 L CA . 16957 2 1018 . 1 1 93 93 LEU CD1 C 13 24.492 0.2 . 1 . . . . 97 L CD1 . 16957 2 1019 . 1 1 93 93 LEU CD2 C 13 22.548 0.2 . 1 . . . . 97 L CD2 . 16957 2 1020 . 1 1 93 93 LEU CG C 13 25.352 0.2 . 1 . . . . 97 L CG . 16957 2 1021 . 1 1 93 93 LEU N N 15 112.920 0.1 . 1 . . . . 97 L N . 16957 2 1022 . 1 1 94 94 VAL H H 1 7.108 0.05 . 1 . . . . 98 V H . 16957 2 1023 . 1 1 94 94 VAL HA H 1 4.122 0.05 . 1 . . . . 98 V HA . 16957 2 1024 . 1 1 94 94 VAL HB H 1 2.154 0.05 . 1 . . . . 98 V HB . 16957 2 1025 . 1 1 94 94 VAL HG11 H 1 0.849 0.05 . 1 . . . . 98 V HG1 . 16957 2 1026 . 1 1 94 94 VAL HG12 H 1 0.849 0.05 . 1 . . . . 98 V HG1 . 16957 2 1027 . 1 1 94 94 VAL HG13 H 1 0.849 0.05 . 1 . . . . 98 V HG1 . 16957 2 1028 . 1 1 94 94 VAL HG21 H 1 0.934 0.05 . 1 . . . . 98 V HG2 . 16957 2 1029 . 1 1 94 94 VAL HG22 H 1 0.934 0.05 . 1 . . . . 98 V HG2 . 16957 2 1030 . 1 1 94 94 VAL HG23 H 1 0.934 0.05 . 1 . . . . 98 V HG2 . 16957 2 1031 . 1 1 94 94 VAL CB C 13 32.948 0.2 . 1 . . . . 98 V CB . 16957 2 1032 . 1 1 94 94 VAL CG1 C 13 20.951 0.2 . 1 . . . . 98 V CG1 . 16957 2 1033 . 1 1 94 94 VAL CG2 C 13 22.110 0.2 . 1 . . . . 98 V CG2 . 16957 2 1034 . 1 1 94 94 VAL N N 15 119.307 0.1 . 1 . . . . 98 V N . 16957 2 1035 . 1 1 95 95 PRO HA H 1 4.534 0.05 . 1 . . . . 99 P HA . 16957 2 1036 . 1 1 95 95 PRO HD2 H 1 4.392 0.05 . 2 . . . . 99 P HD2 . 16957 2 1037 . 1 1 95 95 PRO HD3 H 1 3.518 0.05 . 2 . . . . 99 P HD3 . 16957 2 1038 . 1 1 95 95 PRO HG2 H 1 1.919 0.05 . 2 . . . . 99 P HG . 16957 2 1039 . 1 1 95 95 PRO HG3 H 1 1.919 0.05 . 2 . . . . 99 P HG . 16957 2 1040 . 1 1 95 95 PRO CA C 13 62.022 0.2 . 1 . . . . 99 P CA . 16957 2 1041 . 1 1 95 95 PRO CD C 13 50.296 0.2 . 1 . . . . 99 P CD . 16957 2 1042 . 1 1 95 95 PRO CG C 13 27.726 0.2 . 1 . . . . 99 P CG . 16957 2 1043 . 1 1 96 96 ALA H H 1 9.957 0.05 . 1 . . . . 100 A H . 16957 2 1044 . 1 1 96 96 ALA HA H 1 3.836 0.05 . 1 . . . . 100 A HA . 16957 2 1045 . 1 1 96 96 ALA HB1 H 1 1.461 0.05 . 1 . . . . 100 A HB . 16957 2 1046 . 1 1 96 96 ALA HB2 H 1 1.461 0.05 . 1 . . . . 100 A HB . 16957 2 1047 . 1 1 96 96 ALA HB3 H 1 1.461 0.05 . 1 . . . . 100 A HB . 16957 2 1048 . 1 1 96 96 ALA CA C 13 54.963 0.2 . 1 . . . . 100 A CA . 16957 2 1049 . 1 1 96 96 ALA CB C 13 17.247 0.2 . 1 . . . . 100 A CB . 16957 2 1050 . 1 1 96 96 ALA N N 15 132.320 0.1 . 1 . . . . 100 A N . 16957 2 1051 . 1 1 97 97 GLY H H 1 9.610 0.05 . 1 . . . . 101 G H . 16957 2 1052 . 1 1 97 97 GLY HA2 H 1 2.824 0.05 . 2 . . . . 101 G HA2 . 16957 2 1053 . 1 1 97 97 GLY HA3 H 1 2.505 0.05 . 2 . . . . 101 G HA3 . 16957 2 1054 . 1 1 97 97 GLY CA C 13 45.283 0.2 . 1 . . . . 101 G CA . 16957 2 1055 . 1 1 97 97 GLY N N 15 104.737 0.1 . 1 . . . . 101 G N . 16957 2 1056 . 1 1 98 98 LEU H H 1 7.130 0.05 . 1 . . . . 102 L H . 16957 2 1057 . 1 1 98 98 LEU HA H 1 4.062 0.05 . 1 . . . . 102 L HA . 16957 2 1058 . 1 1 98 98 LEU HB2 H 1 1.912 0.05 . 2 . . . . 102 L HB2 . 16957 2 1059 . 1 1 98 98 LEU HB3 H 1 1.324 0.05 . 2 . . . . 102 L HB3 . 16957 2 1060 . 1 1 98 98 LEU HD11 H 1 0.887 0.05 . 2 . . . . 102 L HD1 . 16957 2 1061 . 1 1 98 98 LEU HD12 H 1 0.887 0.05 . 2 . . . . 102 L HD1 . 16957 2 1062 . 1 1 98 98 LEU HD13 H 1 0.887 0.05 . 2 . . . . 102 L HD1 . 16957 2 1063 . 1 1 98 98 LEU HG H 1 1.554 0.05 . 1 . . . . 102 L HG . 16957 2 1064 . 1 1 98 98 LEU CA C 13 57.266 0.2 . 1 . . . . 102 L CA . 16957 2 1065 . 1 1 98 98 LEU CB C 13 42.155 0.2 . 1 . . . . 102 L CB . 16957 2 1066 . 1 1 98 98 LEU CD1 C 13 23.661 0.2 . 2 . . . . 102 L CD1 . 16957 2 1067 . 1 1 98 98 LEU N N 15 118.145 0.1 . 1 . . . . 102 L N . 16957 2 1068 . 1 1 99 99 LEU H H 1 6.888 0.05 . 1 . . . . 103 L H . 16957 2 1069 . 1 1 99 99 LEU HA H 1 3.891 0.05 . 1 . . . . 103 L HA . 16957 2 1070 . 1 1 99 99 LEU HB2 H 1 1.907 0.05 . 2 . . . . 103 L HB2 . 16957 2 1071 . 1 1 99 99 LEU HB3 H 1 1.518 0.05 . 2 . . . . 103 L HB3 . 16957 2 1072 . 1 1 99 99 LEU HD11 H 1 0.891 0.05 . 1 . . . . 103 L HD1 . 16957 2 1073 . 1 1 99 99 LEU HD12 H 1 0.891 0.05 . 1 . . . . 103 L HD1 . 16957 2 1074 . 1 1 99 99 LEU HD13 H 1 0.891 0.05 . 1 . . . . 103 L HD1 . 16957 2 1075 . 1 1 99 99 LEU HD21 H 1 0.771 0.05 . 1 . . . . 103 L HD2 . 16957 2 1076 . 1 1 99 99 LEU HD22 H 1 0.771 0.05 . 1 . . . . 103 L HD2 . 16957 2 1077 . 1 1 99 99 LEU HD23 H 1 0.771 0.05 . 1 . . . . 103 L HD2 . 16957 2 1078 . 1 1 99 99 LEU HG H 1 1.647 0.05 . 1 . . . . 103 L HG . 16957 2 1079 . 1 1 99 99 LEU CB C 13 40.077 0.2 . 1 . . . . 103 L CB . 16957 2 1080 . 1 1 99 99 LEU CD2 C 13 22.816 0.2 . 1 . . . . 103 L CD2 . 16957 2 1081 . 1 1 99 99 LEU N N 15 116.535 0.1 . 1 . . . . 103 L N . 16957 2 1082 . 1 1 100 100 ALA H H 1 7.639 0.05 . 1 . . . . 104 A H . 16957 2 1083 . 1 1 100 100 ALA HA H 1 4.077 0.05 . 1 . . . . 104 A HA . 16957 2 1084 . 1 1 100 100 ALA HB1 H 1 1.317 0.05 . 1 . . . . 104 A HB . 16957 2 1085 . 1 1 100 100 ALA HB2 H 1 1.317 0.05 . 1 . . . . 104 A HB . 16957 2 1086 . 1 1 100 100 ALA HB3 H 1 1.317 0.05 . 1 . . . . 104 A HB . 16957 2 1087 . 1 1 100 100 ALA CA C 13 55.018 0.2 . 1 . . . . 104 A CA . 16957 2 1088 . 1 1 100 100 ALA CB C 13 18.164 0.2 . 1 . . . . 104 A CB . 16957 2 1089 . 1 1 100 100 ALA N N 15 120.175 0.1 . 1 . . . . 104 A N . 16957 2 1090 . 1 1 101 101 LEU H H 1 7.653 0.05 . 1 . . . . 105 L H . 16957 2 1091 . 1 1 101 101 LEU HA H 1 4.130 0.05 . 1 . . . . 105 L HA . 16957 2 1092 . 1 1 101 101 LEU HB2 H 1 1.881 0.05 . 2 . . . . 105 L HB2 . 16957 2 1093 . 1 1 101 101 LEU HB3 H 1 1.707 0.05 . 2 . . . . 105 L HB3 . 16957 2 1094 . 1 1 101 101 LEU HD21 H 1 0.866 0.05 . 2 . . . . 105 L HD2 . 16957 2 1095 . 1 1 101 101 LEU HD22 H 1 0.866 0.05 . 2 . . . . 105 L HD2 . 16957 2 1096 . 1 1 101 101 LEU HD23 H 1 0.866 0.05 . 2 . . . . 105 L HD2 . 16957 2 1097 . 1 1 101 101 LEU HG H 1 1.771 0.05 . 1 . . . . 105 L HG . 16957 2 1098 . 1 1 101 101 LEU CD2 C 13 24.633 0.2 . 2 . . . . 105 L CD2 . 16957 2 1099 . 1 1 101 101 LEU N N 15 118.928 0.1 . 1 . . . . 105 L N . 16957 2 1100 . 1 1 102 102 ILE H H 1 7.837 0.05 . 1 . . . . 106 I H . 16957 2 1101 . 1 1 102 102 ILE HA H 1 3.688 0.05 . 1 . . . . 106 I HA . 16957 2 1102 . 1 1 102 102 ILE HB H 1 1.911 0.05 . 1 . . . . 106 I HB . 16957 2 1103 . 1 1 102 102 ILE HD11 H 1 0.746 0.05 . 1 . . . . 106 I HD1 . 16957 2 1104 . 1 1 102 102 ILE HD12 H 1 0.746 0.05 . 1 . . . . 106 I HD1 . 16957 2 1105 . 1 1 102 102 ILE HD13 H 1 0.746 0.05 . 1 . . . . 106 I HD1 . 16957 2 1106 . 1 1 102 102 ILE HG12 H 1 1.558 0.05 . 2 . . . . 106 I HG12 . 16957 2 1107 . 1 1 102 102 ILE HG13 H 1 1.281 0.05 . 2 . . . . 106 I HG13 . 16957 2 1108 . 1 1 102 102 ILE HG21 H 1 0.895 0.05 . 1 . . . . 106 I HG2 . 16957 2 1109 . 1 1 102 102 ILE HG22 H 1 0.895 0.05 . 1 . . . . 106 I HG2 . 16957 2 1110 . 1 1 102 102 ILE HG23 H 1 0.895 0.05 . 1 . . . . 106 I HG2 . 16957 2 1111 . 1 1 102 102 ILE CA C 13 65.197 0.2 . 1 . . . . 106 I CA . 16957 2 1112 . 1 1 102 102 ILE CB C 13 37.847 0.2 . 1 . . . . 106 I CB . 16957 2 1113 . 1 1 102 102 ILE CD1 C 13 13.261 0.2 . 1 . . . . 106 I CD1 . 16957 2 1114 . 1 1 102 102 ILE CG2 C 13 17.812 0.2 . 1 . . . . 106 I CG2 . 16957 2 1115 . 1 1 102 102 ILE N N 15 118.276 0.1 . 1 . . . . 106 I N . 16957 2 1116 . 1 1 103 103 GLU H H 1 8.706 0.05 . 1 . . . . 107 E H . 16957 2 1117 . 1 1 103 103 GLU HA H 1 3.697 0.05 . 1 . . . . 107 E HA . 16957 2 1118 . 1 1 103 103 GLU HB2 H 1 2.269 0.05 . 2 . . . . 107 E HB2 . 16957 2 1119 . 1 1 103 103 GLU HB3 H 1 2.097 0.05 . 2 . . . . 107 E HB3 . 16957 2 1120 . 1 1 103 103 GLU HG2 H 1 2.266 0.05 . 2 . . . . 107 E HG . 16957 2 1121 . 1 1 103 103 GLU HG3 H 1 2.266 0.05 . 2 . . . . 107 E HG . 16957 2 1122 . 1 1 103 103 GLU CA C 13 60.601 0.2 . 1 . . . . 107 E CA . 16957 2 1123 . 1 1 103 103 GLU CB C 13 29.570 0.2 . 1 . . . . 107 E CB . 16957 2 1124 . 1 1 103 103 GLU CG C 13 36.953 0.2 . 1 . . . . 107 E CG . 16957 2 1125 . 1 1 103 103 GLU N N 15 120.513 0.1 . 1 . . . . 107 E N . 16957 2 1126 . 1 1 104 104 GLY H H 1 8.193 0.05 . 1 . . . . 108 G H . 16957 2 1127 . 1 1 104 104 GLY HA2 H 1 3.978 0.05 . 2 . . . . 108 G HA . 16957 2 1128 . 1 1 104 104 GLY HA3 H 1 3.978 0.05 . 2 . . . . 108 G HA . 16957 2 1129 . 1 1 104 104 GLY N N 15 104.427 0.1 . 1 . . . . 108 G N . 16957 2 1130 . 1 1 105 105 HIS H H 1 7.945 0.05 . 1 . . . . 109 H H . 16957 2 1131 . 1 1 105 105 HIS HA H 1 4.436 0.05 . 1 . . . . 109 H HA . 16957 2 1132 . 1 1 105 105 HIS HB2 H 1 3.225 0.05 . 2 . . . . 109 H HB2 . 16957 2 1133 . 1 1 105 105 HIS HB3 H 1 3.101 0.05 . 2 . . . . 109 H HB3 . 16957 2 1134 . 1 1 105 105 HIS HD2 H 1 7.157 0.05 . 1 . . . . 109 H HD2 . 16957 2 1135 . 1 1 105 105 HIS HE1 H 1 7.701 0.05 . 1 . . . . 109 H HE1 . 16957 2 1136 . 1 1 105 105 HIS CA C 13 59.331 0.2 . 1 . . . . 109 H CA . 16957 2 1137 . 1 1 105 105 HIS CB C 13 31.136 0.2 . 1 . . . . 109 H CB . 16957 2 1138 . 1 1 105 105 HIS CD2 C 13 119.317 0.2 . 1 . . . . 109 H CD2 . 16957 2 1139 . 1 1 105 105 HIS CE1 C 13 139.664 0.2 . 1 . . . . 109 H CE1 . 16957 2 1140 . 1 1 105 105 HIS N N 15 122.340 0.1 . 1 . . . . 109 H N . 16957 2 1141 . 1 1 106 106 LEU H H 1 8.377 0.05 . 1 . . . . 110 L H . 16957 2 1142 . 1 1 106 106 LEU HA H 1 3.897 0.05 . 1 . . . . 110 L HA . 16957 2 1143 . 1 1 106 106 LEU HB2 H 1 2.074 0.05 . 2 . . . . 110 L HB2 . 16957 2 1144 . 1 1 106 106 LEU HB3 H 1 1.917 0.05 . 2 . . . . 110 L HB3 . 16957 2 1145 . 1 1 106 106 LEU HD11 H 1 0.803 0.05 . 1 . . . . 110 L HD1 . 16957 2 1146 . 1 1 106 106 LEU HD12 H 1 0.803 0.05 . 1 . . . . 110 L HD1 . 16957 2 1147 . 1 1 106 106 LEU HD13 H 1 0.803 0.05 . 1 . . . . 110 L HD1 . 16957 2 1148 . 1 1 106 106 LEU HD21 H 1 0.888 0.05 . 1 . . . . 110 L HD2 . 16957 2 1149 . 1 1 106 106 LEU HD22 H 1 0.888 0.05 . 1 . . . . 110 L HD2 . 16957 2 1150 . 1 1 106 106 LEU HD23 H 1 0.888 0.05 . 1 . . . . 110 L HD2 . 16957 2 1151 . 1 1 106 106 LEU HG H 1 1.376 0.05 . 1 . . . . 110 L HG . 16957 2 1152 . 1 1 106 106 LEU CD1 C 13 26.630 0.2 . 1 . . . . 110 L CD1 . 16957 2 1153 . 1 1 106 106 LEU CD2 C 13 23.032 0.2 . 1 . . . . 110 L CD2 . 16957 2 1154 . 1 1 106 106 LEU N N 15 117.930 0.1 . 1 . . . . 110 L N . 16957 2 1155 . 1 1 107 107 ALA H H 1 8.631 0.05 . 1 . . . . 111 A H . 16957 2 1156 . 1 1 107 107 ALA HA H 1 3.666 0.05 . 1 . . . . 111 A HA . 16957 2 1157 . 1 1 107 107 ALA HB1 H 1 1.549 0.05 . 1 . . . . 111 A HB . 16957 2 1158 . 1 1 107 107 ALA HB2 H 1 1.549 0.05 . 1 . . . . 111 A HB . 16957 2 1159 . 1 1 107 107 ALA HB3 H 1 1.549 0.05 . 1 . . . . 111 A HB . 16957 2 1160 . 1 1 107 107 ALA CA C 13 54.986 0.2 . 1 . . . . 111 A CA . 16957 2 1161 . 1 1 107 107 ALA CB C 13 17.799 0.2 . 1 . . . . 111 A CB . 16957 2 1162 . 1 1 107 107 ALA N N 15 122.293 0.1 . 1 . . . . 111 A N . 16957 2 1163 . 1 1 108 108 GLY H H 1 7.941 0.05 . 1 . . . . 112 G H . 16957 2 1164 . 1 1 108 108 GLY HA2 H 1 4.021 0.05 . 2 . . . . 112 G HA2 . 16957 2 1165 . 1 1 108 108 GLY HA3 H 1 3.893 0.05 . 2 . . . . 112 G HA3 . 16957 2 1166 . 1 1 108 108 GLY CA C 13 46.138 0.2 . 1 . . . . 112 G CA . 16957 2 1167 . 1 1 108 108 GLY N N 15 107.234 0.1 . 1 . . . . 112 G N . 16957 2 1168 . 1 1 109 109 LEU H H 1 7.188 0.05 . 1 . . . . 113 L H . 16957 2 1169 . 1 1 109 109 LEU HA H 1 4.314 0.05 . 1 . . . . 113 L HA . 16957 2 1170 . 1 1 109 109 LEU HB2 H 1 1.680 0.05 . 2 . . . . 113 L HB . 16957 2 1171 . 1 1 109 109 LEU HB3 H 1 1.680 0.05 . 2 . . . . 113 L HB . 16957 2 1172 . 1 1 109 109 LEU HD11 H 1 0.724 0.05 . 1 . . . . 113 L HD1 . 16957 2 1173 . 1 1 109 109 LEU HD12 H 1 0.724 0.05 . 1 . . . . 113 L HD1 . 16957 2 1174 . 1 1 109 109 LEU HD13 H 1 0.724 0.05 . 1 . . . . 113 L HD1 . 16957 2 1175 . 1 1 109 109 LEU HD21 H 1 0.822 0.05 . 1 . . . . 113 L HD2 . 16957 2 1176 . 1 1 109 109 LEU HD22 H 1 0.822 0.05 . 1 . . . . 113 L HD2 . 16957 2 1177 . 1 1 109 109 LEU HD23 H 1 0.822 0.05 . 1 . . . . 113 L HD2 . 16957 2 1178 . 1 1 109 109 LEU HG H 1 1.552 0.05 . 1 . . . . 113 L HG . 16957 2 1179 . 1 1 109 109 LEU CA C 13 54.577 0.2 . 1 . . . . 113 L CA . 16957 2 1180 . 1 1 109 109 LEU CD1 C 13 25.592 0.2 . 1 . . . . 113 L CD1 . 16957 2 1181 . 1 1 109 109 LEU CD2 C 13 22.399 0.2 . 1 . . . . 113 L CD2 . 16957 2 1182 . 1 1 109 109 LEU N N 15 118.851 0.1 . 1 . . . . 113 L N . 16957 2 1183 . 1 1 110 110 GLY H H 1 7.795 0.05 . 1 . . . . 114 G H . 16957 2 1184 . 1 1 110 110 GLY HA2 H 1 4.018 0.05 . 2 . . . . 114 G HA2 . 16957 2 1185 . 1 1 110 110 GLY HA3 H 1 3.440 0.05 . 2 . . . . 114 G HA3 . 16957 2 1186 . 1 1 110 110 GLY CA C 13 45.145 0.2 . 1 . . . . 114 G CA . 16957 2 1187 . 1 1 110 110 GLY N N 15 107.337 0.1 . 1 . . . . 114 G N . 16957 2 1188 . 1 1 111 111 LEU H H 1 7.596 0.05 . 1 . . . . 115 L H . 16957 2 1189 . 1 1 111 111 LEU HA H 1 4.685 0.05 . 1 . . . . 115 L HA . 16957 2 1190 . 1 1 111 111 LEU HB2 H 1 1.688 0.05 . 2 . . . . 115 L HB . 16957 2 1191 . 1 1 111 111 LEU HB3 H 1 1.688 0.05 . 2 . . . . 115 L HB . 16957 2 1192 . 1 1 111 111 LEU HD11 H 1 0.912 0.05 . 1 . . . . 115 L HD1 . 16957 2 1193 . 1 1 111 111 LEU HD12 H 1 0.912 0.05 . 1 . . . . 115 L HD1 . 16957 2 1194 . 1 1 111 111 LEU HD13 H 1 0.912 0.05 . 1 . . . . 115 L HD1 . 16957 2 1195 . 1 1 111 111 LEU HD21 H 1 0.832 0.05 . 1 . . . . 115 L HD2 . 16957 2 1196 . 1 1 111 111 LEU HD22 H 1 0.832 0.05 . 1 . . . . 115 L HD2 . 16957 2 1197 . 1 1 111 111 LEU HD23 H 1 0.832 0.05 . 1 . . . . 115 L HD2 . 16957 2 1198 . 1 1 111 111 LEU HG H 1 1.514 0.05 . 1 . . . . 115 L HG . 16957 2 1199 . 1 1 111 111 LEU CD1 C 13 26.463 0.2 . 1 . . . . 115 L CD1 . 16957 2 1200 . 1 1 111 111 LEU CD2 C 13 22.777 0.2 . 1 . . . . 115 L CD2 . 16957 2 1201 . 1 1 111 111 LEU CG C 13 26.036 0.2 . 1 . . . . 115 L CG . 16957 2 1202 . 1 1 111 111 LEU N N 15 122.290 0.1 . 1 . . . . 115 L N . 16957 2 1203 . 1 1 112 112 PHE H H 1 7.626 0.05 . 1 . . . . 116 F H . 16957 2 1204 . 1 1 112 112 PHE HA H 1 4.110 0.05 . 1 . . . . 116 F HA . 16957 2 1205 . 1 1 112 112 PHE HB2 H 1 3.262 0.05 . 2 . . . . 116 F HB2 . 16957 2 1206 . 1 1 112 112 PHE HB3 H 1 3.053 0.05 . 2 . . . . 116 F HB3 . 16957 2 1207 . 1 1 112 112 PHE HD1 H 1 7.247 0.05 . 3 . . . . 116 F HD . 16957 2 1208 . 1 1 112 112 PHE HD2 H 1 7.247 0.05 . 3 . . . . 116 F HD . 16957 2 1209 . 1 1 112 112 PHE HE1 H 1 7.465 0.05 . 3 . . . . 116 F HE . 16957 2 1210 . 1 1 112 112 PHE HE2 H 1 7.465 0.05 . 3 . . . . 116 F HE . 16957 2 1211 . 1 1 112 112 PHE HZ H 1 7.406 0.05 . 1 . . . . 116 F HZ . 16957 2 1212 . 1 1 112 112 PHE CA C 13 61.436 0.2 . 1 . . . . 116 F CA . 16957 2 1213 . 1 1 112 112 PHE CB C 13 38.464 0.2 . 1 . . . . 116 F CB . 16957 2 1214 . 1 1 112 112 PHE CD1 C 13 131.921 0.2 . 3 . . . . 116 F CD . 16957 2 1215 . 1 1 112 112 PHE CD2 C 13 131.921 0.2 . 3 . . . . 116 F CD . 16957 2 1216 . 1 1 112 112 PHE CE1 C 13 132.306 0.2 . 3 . . . . 116 F CE . 16957 2 1217 . 1 1 112 112 PHE CE2 C 13 132.306 0.2 . 3 . . . . 116 F CE . 16957 2 1218 . 1 1 112 112 PHE CZ C 13 131.005 0.2 . 1 . . . . 116 F CZ . 16957 2 1219 . 1 1 112 112 PHE N N 15 119.755 0.1 . 1 . . . . 116 F N . 16957 2 1220 . 1 1 113 113 ARG HA H 1 4.112 0.05 . 1 . . . . 117 R HA . 16957 2 1221 . 1 1 113 113 ARG HD2 H 1 3.203 0.05 . 2 . . . . 117 R HD . 16957 2 1222 . 1 1 113 113 ARG HD3 H 1 3.203 0.05 . 2 . . . . 117 R HD . 16957 2 1223 . 1 1 113 113 ARG HG2 H 1 1.579 0.05 . 4 . . . . 117 R HG . 16957 2 1224 . 1 1 113 113 ARG HG3 H 1 1.579 0.05 . 4 . . . . 117 R HG . 16957 2 1225 . 1 1 113 113 ARG CA C 13 59.548 0.2 . 1 . . . . 117 R CA . 16957 2 1226 . 1 1 114 114 LEU H H 1 7.360 0.05 . 1 . . . . 118 L H . 16957 2 1227 . 1 1 114 114 LEU HA H 1 4.184 0.05 . 1 . . . . 118 L HA . 16957 2 1228 . 1 1 114 114 LEU HB2 H 1 1.979 0.05 . 2 . . . . 118 L HB2 . 16957 2 1229 . 1 1 114 114 LEU HB3 H 1 1.569 0.05 . 2 . . . . 118 L HB3 . 16957 2 1230 . 1 1 114 114 LEU HD11 H 1 0.991 0.05 . 1 . . . . 118 L HD1 . 16957 2 1231 . 1 1 114 114 LEU HD12 H 1 0.991 0.05 . 1 . . . . 118 L HD1 . 16957 2 1232 . 1 1 114 114 LEU HD13 H 1 0.991 0.05 . 1 . . . . 118 L HD1 . 16957 2 1233 . 1 1 114 114 LEU HD21 H 1 0.888 0.05 . 1 . . . . 118 L HD2 . 16957 2 1234 . 1 1 114 114 LEU HD22 H 1 0.888 0.05 . 1 . . . . 118 L HD2 . 16957 2 1235 . 1 1 114 114 LEU HD23 H 1 0.888 0.05 . 1 . . . . 118 L HD2 . 16957 2 1236 . 1 1 114 114 LEU HG H 1 1.749 0.05 . 1 . . . . 118 L HG . 16957 2 1237 . 1 1 114 114 LEU CD1 C 13 25.524 0.2 . 1 . . . . 118 L CD1 . 16957 2 1238 . 1 1 114 114 LEU CD2 C 13 23.523 0.2 . 1 . . . . 118 L CD2 . 16957 2 1239 . 1 1 114 114 LEU N N 15 117.290 0.1 . 1 . . . . 118 L N . 16957 2 1240 . 1 1 115 115 VAL H H 1 7.837 0.05 . 1 . . . . 119 V H . 16957 2 1241 . 1 1 115 115 VAL HA H 1 3.479 0.05 . 1 . . . . 119 V HA . 16957 2 1242 . 1 1 115 115 VAL HB H 1 2.311 0.05 . 1 . . . . 119 V HB . 16957 2 1243 . 1 1 115 115 VAL HG11 H 1 0.995 0.05 . 1 . . . . 119 V HG1 . 16957 2 1244 . 1 1 115 115 VAL HG12 H 1 0.995 0.05 . 1 . . . . 119 V HG1 . 16957 2 1245 . 1 1 115 115 VAL HG13 H 1 0.995 0.05 . 1 . . . . 119 V HG1 . 16957 2 1246 . 1 1 115 115 VAL HG21 H 1 0.987 0.05 . 1 . . . . 119 V HG2 . 16957 2 1247 . 1 1 115 115 VAL HG22 H 1 0.987 0.05 . 1 . . . . 119 V HG2 . 16957 2 1248 . 1 1 115 115 VAL HG23 H 1 0.987 0.05 . 1 . . . . 119 V HG2 . 16957 2 1249 . 1 1 115 115 VAL CB C 13 31.236 0.2 . 1 . . . . 119 V CB . 16957 2 1250 . 1 1 115 115 VAL CG1 C 13 21.293 0.2 . 1 . . . . 119 V CG1 . 16957 2 1251 . 1 1 115 115 VAL CG2 C 13 23.629 0.2 . 1 . . . . 119 V CG2 . 16957 2 1252 . 1 1 115 115 VAL N N 15 119.991 0.1 . 1 . . . . 119 V N . 16957 2 1253 . 1 1 116 116 ARG H H 1 7.735 0.05 . 1 . . . . 120 R H . 16957 2 1254 . 1 1 116 116 ARG HA H 1 3.935 0.05 . 1 . . . . 120 R HA . 16957 2 1255 . 1 1 116 116 ARG HB2 H 1 1.992 0.05 . 2 . . . . 120 R HB2 . 16957 2 1256 . 1 1 116 116 ARG HB3 H 1 1.872 0.05 . 2 . . . . 120 R HB3 . 16957 2 1257 . 1 1 116 116 ARG HD2 H 1 3.197 0.05 . 2 . . . . 120 R HD . 16957 2 1258 . 1 1 116 116 ARG HD3 H 1 3.197 0.05 . 2 . . . . 120 R HD . 16957 2 1259 . 1 1 116 116 ARG HG2 H 1 1.842 0.05 . 2 . . . . 120 R HG2 . 16957 2 1260 . 1 1 116 116 ARG HG3 H 1 1.631 0.05 . 2 . . . . 120 R HG3 . 16957 2 1261 . 1 1 116 116 ARG CA C 13 59.546 0.2 . 1 . . . . 120 R CA . 16957 2 1262 . 1 1 116 116 ARG CB C 13 29.686 0.2 . 1 . . . . 120 R CB . 16957 2 1263 . 1 1 116 116 ARG CD C 13 43.308 0.2 . 1 . . . . 120 R CD . 16957 2 1264 . 1 1 116 116 ARG CG C 13 27.681 0.2 . 1 . . . . 120 R CG . 16957 2 1265 . 1 1 116 116 ARG N N 15 117.815 0.1 . 1 . . . . 120 R N . 16957 2 1266 . 1 1 117 117 LEU H H 1 7.485 0.05 . 1 . . . . 121 L H . 16957 2 1267 . 1 1 117 117 LEU HA H 1 4.171 0.05 . 1 . . . . 121 L HA . 16957 2 1268 . 1 1 117 117 LEU HB2 H 1 1.970 0.05 . 2 . . . . 121 L HB2 . 16957 2 1269 . 1 1 117 117 LEU HB3 H 1 1.788 0.05 . 2 . . . . 121 L HB3 . 16957 2 1270 . 1 1 117 117 LEU HD11 H 1 0.976 0.05 . 1 . . . . 121 L HD1 . 16957 2 1271 . 1 1 117 117 LEU HD12 H 1 0.976 0.05 . 1 . . . . 121 L HD1 . 16957 2 1272 . 1 1 117 117 LEU HD13 H 1 0.976 0.05 . 1 . . . . 121 L HD1 . 16957 2 1273 . 1 1 117 117 LEU HD21 H 1 0.901 0.05 . 1 . . . . 121 L HD2 . 16957 2 1274 . 1 1 117 117 LEU HD22 H 1 0.901 0.05 . 1 . . . . 121 L HD2 . 16957 2 1275 . 1 1 117 117 LEU HD23 H 1 0.901 0.05 . 1 . . . . 121 L HD2 . 16957 2 1276 . 1 1 117 117 LEU HG H 1 1.760 0.05 . 1 . . . . 121 L HG . 16957 2 1277 . 1 1 117 117 LEU CA C 13 57.957 0.2 . 1 . . . . 121 L CA . 16957 2 1278 . 1 1 117 117 LEU CB C 13 41.532 0.2 . 1 . . . . 121 L CB . 16957 2 1279 . 1 1 117 117 LEU CD1 C 13 24.296 0.2 . 1 . . . . 121 L CD1 . 16957 2 1280 . 1 1 117 117 LEU CD2 C 13 24.869 0.2 . 1 . . . . 121 L CD2 . 16957 2 1281 . 1 1 117 117 LEU CG C 13 27.244 0.2 . 1 . . . . 121 L CG . 16957 2 1282 . 1 1 117 117 LEU N N 15 118.372 0.1 . 1 . . . . 121 L N . 16957 2 1283 . 1 1 118 118 LEU H H 1 8.114 0.05 . 1 . . . . 122 L H . 16957 2 1284 . 1 1 118 118 LEU HA H 1 3.985 0.05 . 1 . . . . 122 L HA . 16957 2 1285 . 1 1 118 118 LEU HB2 H 1 2.042 0.05 . 2 . . . . 122 L HB2 . 16957 2 1286 . 1 1 118 118 LEU HB3 H 1 1.798 0.05 . 2 . . . . 122 L HB3 . 16957 2 1287 . 1 1 118 118 LEU HD11 H 1 0.933 0.05 . 1 . . . . 122 L HD1 . 16957 2 1288 . 1 1 118 118 LEU HD12 H 1 0.933 0.05 . 1 . . . . 122 L HD1 . 16957 2 1289 . 1 1 118 118 LEU HD13 H 1 0.933 0.05 . 1 . . . . 122 L HD1 . 16957 2 1290 . 1 1 118 118 LEU HD21 H 1 0.856 0.05 . 1 . . . . 122 L HD2 . 16957 2 1291 . 1 1 118 118 LEU HD22 H 1 0.856 0.05 . 1 . . . . 122 L HD2 . 16957 2 1292 . 1 1 118 118 LEU HD23 H 1 0.856 0.05 . 1 . . . . 122 L HD2 . 16957 2 1293 . 1 1 118 118 LEU HG H 1 1.832 0.05 . 1 . . . . 122 L HG . 16957 2 1294 . 1 1 118 118 LEU CA C 13 57.444 0.2 . 1 . . . . 122 L CA . 16957 2 1295 . 1 1 118 118 LEU CB C 13 40.708 0.2 . 1 . . . . 122 L CB . 16957 2 1296 . 1 1 118 118 LEU CD1 C 13 25.454 0.2 . 1 . . . . 122 L CD1 . 16957 2 1297 . 1 1 118 118 LEU CD2 C 13 23.289 0.2 . 1 . . . . 122 L CD2 . 16957 2 1298 . 1 1 118 118 LEU CG C 13 28.116 0.2 . 1 . . . . 122 L CG . 16957 2 1299 . 1 1 118 118 LEU N N 15 120.724 0.1 . 1 . . . . 122 L N . 16957 2 1300 . 1 1 119 119 ARG H H 1 8.319 0.05 . 1 . . . . 123 R H . 16957 2 1301 . 1 1 119 119 ARG HA H 1 3.858 0.05 . 1 . . . . 123 R HA . 16957 2 1302 . 1 1 119 119 ARG HB2 H 1 1.965 0.05 . 4 . . . . 123 R HB . 16957 2 1303 . 1 1 119 119 ARG HB3 H 1 1.965 0.05 . 4 . . . . 123 R HB . 16957 2 1304 . 1 1 119 119 ARG HD2 H 1 3.350 0.05 . 2 . . . . 123 R HD2 . 16957 2 1305 . 1 1 119 119 ARG HD3 H 1 3.184 0.05 . 2 . . . . 123 R HD3 . 16957 2 1306 . 1 1 119 119 ARG HG2 H 1 2.021 0.05 . 4 . . . . 123 R HG . 16957 2 1307 . 1 1 119 119 ARG HG3 H 1 2.021 0.05 . 4 . . . . 123 R HG . 16957 2 1308 . 1 1 119 119 ARG CA C 13 59.935 0.2 . 1 . . . . 123 R CA . 16957 2 1309 . 1 1 119 119 ARG N N 15 119.190 0.1 . 1 . . . . 123 R N . 16957 2 1310 . 1 1 120 120 PHE H H 1 8.044 0.05 . 1 . . . . 124 F H . 16957 2 1311 . 1 1 120 120 PHE HA H 1 4.370 0.05 . 1 . . . . 124 F HA . 16957 2 1312 . 1 1 120 120 PHE HB2 H 1 3.312 0.05 . 2 . . . . 124 F HB . 16957 2 1313 . 1 1 120 120 PHE HB3 H 1 3.312 0.05 . 2 . . . . 124 F HB . 16957 2 1314 . 1 1 120 120 PHE HD1 H 1 7.148 0.05 . 3 . . . . 124 F HD . 16957 2 1315 . 1 1 120 120 PHE HD2 H 1 7.148 0.05 . 3 . . . . 124 F HD . 16957 2 1316 . 1 1 120 120 PHE HE1 H 1 7.092 0.05 . 3 . . . . 124 F HE . 16957 2 1317 . 1 1 120 120 PHE HE2 H 1 7.092 0.05 . 3 . . . . 124 F HE . 16957 2 1318 . 1 1 120 120 PHE CA C 13 60.544 0.2 . 1 . . . . 124 F CA . 16957 2 1319 . 1 1 120 120 PHE CB C 13 38.583 0.2 . 1 . . . . 124 F CB . 16957 2 1320 . 1 1 120 120 PHE CD1 C 13 132.046 0.2 . 3 . . . . 124 F CD . 16957 2 1321 . 1 1 120 120 PHE CD2 C 13 132.046 0.2 . 3 . . . . 124 F CD . 16957 2 1322 . 1 1 120 120 PHE CE1 C 13 131.166 0.2 . 3 . . . . 124 F CE . 16957 2 1323 . 1 1 120 120 PHE CE2 C 13 131.166 0.2 . 3 . . . . 124 F CE . 16957 2 1324 . 1 1 120 120 PHE N N 15 119.309 0.1 . 1 . . . . 124 F N . 16957 2 1325 . 1 1 121 121 LEU H H 1 8.367 0.05 . 1 . . . . 125 L H . 16957 2 1326 . 1 1 121 121 LEU HA H 1 3.861 0.05 . 1 . . . . 125 L HA . 16957 2 1327 . 1 1 121 121 LEU HB2 H 1 2.027 0.05 . 2 . . . . 125 L HB2 . 16957 2 1328 . 1 1 121 121 LEU HB3 H 1 1.639 0.05 . 2 . . . . 125 L HB3 . 16957 2 1329 . 1 1 121 121 LEU HD11 H 1 0.885 0.05 . 1 . . . . 125 L HD1 . 16957 2 1330 . 1 1 121 121 LEU HD12 H 1 0.885 0.05 . 1 . . . . 125 L HD1 . 16957 2 1331 . 1 1 121 121 LEU HD13 H 1 0.885 0.05 . 1 . . . . 125 L HD1 . 16957 2 1332 . 1 1 121 121 LEU HD21 H 1 0.856 0.05 . 1 . . . . 125 L HD2 . 16957 2 1333 . 1 1 121 121 LEU HD22 H 1 0.856 0.05 . 1 . . . . 125 L HD2 . 16957 2 1334 . 1 1 121 121 LEU HD23 H 1 0.856 0.05 . 1 . . . . 125 L HD2 . 16957 2 1335 . 1 1 121 121 LEU HG H 1 1.624 0.05 . 1 . . . . 125 L HG . 16957 2 1336 . 1 1 121 121 LEU CB C 13 41.394 0.2 . 1 . . . . 125 L CB . 16957 2 1337 . 1 1 121 121 LEU CD1 C 13 24.349 0.2 . 1 . . . . 125 L CD1 . 16957 2 1338 . 1 1 121 121 LEU CD2 C 13 25.869 0.2 . 1 . . . . 125 L CD2 . 16957 2 1339 . 1 1 121 121 LEU N N 15 118.304 0.1 . 1 . . . . 125 L N . 16957 2 1340 . 1 1 122 122 ARG H H 1 8.122 0.05 . 1 . . . . 126 R H . 16957 2 1341 . 1 1 122 122 ARG HA H 1 3.888 0.05 . 1 . . . . 126 R HA . 16957 2 1342 . 1 1 122 122 ARG HB2 H 1 1.877 0.05 . 4 . . . . 126 R HB . 16957 2 1343 . 1 1 122 122 ARG HB3 H 1 1.877 0.05 . 4 . . . . 126 R HB . 16957 2 1344 . 1 1 122 122 ARG HD2 H 1 3.204 0.05 . 2 . . . . 126 R HD . 16957 2 1345 . 1 1 122 122 ARG HD3 H 1 3.204 0.05 . 2 . . . . 126 R HD . 16957 2 1346 . 1 1 122 122 ARG N N 15 118.229 0.1 . 1 . . . . 126 R N . 16957 2 1347 . 1 1 123 123 ILE H H 1 7.743 0.05 . 1 . . . . 127 I H . 16957 2 1348 . 1 1 123 123 ILE HA H 1 3.587 0.05 . 1 . . . . 127 I HA . 16957 2 1349 . 1 1 123 123 ILE HB H 1 1.980 0.05 . 1 . . . . 127 I HB . 16957 2 1350 . 1 1 123 123 ILE HD11 H 1 0.765 0.05 . 1 . . . . 127 I HD1 . 16957 2 1351 . 1 1 123 123 ILE HD12 H 1 0.765 0.05 . 1 . . . . 127 I HD1 . 16957 2 1352 . 1 1 123 123 ILE HD13 H 1 0.765 0.05 . 1 . . . . 127 I HD1 . 16957 2 1353 . 1 1 123 123 ILE HG12 H 1 1.677 0.05 . 2 . . . . 127 I HG12 . 16957 2 1354 . 1 1 123 123 ILE HG13 H 1 1.064 0.05 . 2 . . . . 127 I HG13 . 16957 2 1355 . 1 1 123 123 ILE HG21 H 1 0.885 0.05 . 1 . . . . 127 I HG2 . 16957 2 1356 . 1 1 123 123 ILE HG22 H 1 0.885 0.05 . 1 . . . . 127 I HG2 . 16957 2 1357 . 1 1 123 123 ILE HG23 H 1 0.885 0.05 . 1 . . . . 127 I HG2 . 16957 2 1358 . 1 1 123 123 ILE CA C 13 64.505 0.2 . 1 . . . . 127 I CA . 16957 2 1359 . 1 1 123 123 ILE CB C 13 36.818 0.2 . 1 . . . . 127 I CB . 16957 2 1360 . 1 1 123 123 ILE CD1 C 13 12.685 0.2 . 1 . . . . 127 I CD1 . 16957 2 1361 . 1 1 123 123 ILE CG1 C 13 28.967 0.2 . 1 . . . . 127 I CG1 . 16957 2 1362 . 1 1 123 123 ILE CG2 C 13 17.009 0.2 . 1 . . . . 127 I CG2 . 16957 2 1363 . 1 1 123 123 ILE N N 15 118.121 0.1 . 1 . . . . 127 I N . 16957 2 1364 . 1 1 124 124 LEU H H 1 7.511 0.05 . 1 . . . . 128 L H . 16957 2 1365 . 1 1 124 124 LEU HA H 1 3.893 0.05 . 1 . . . . 128 L HA . 16957 2 1366 . 1 1 124 124 LEU HD21 H 1 0.840 0.05 . 2 . . . . 128 L HD2 . 16957 2 1367 . 1 1 124 124 LEU HD22 H 1 0.840 0.05 . 2 . . . . 128 L HD2 . 16957 2 1368 . 1 1 124 124 LEU HD23 H 1 0.840 0.05 . 2 . . . . 128 L HD2 . 16957 2 1369 . 1 1 124 124 LEU HG H 1 1.835 0.05 . 1 . . . . 128 L HG . 16957 2 1370 . 1 1 124 124 LEU CD2 C 13 23.349 0.2 . 2 . . . . 128 L CD2 . 16957 2 1371 . 1 1 124 124 LEU CG C 13 27.992 0.2 . 1 . . . . 128 L CG . 16957 2 1372 . 1 1 124 124 LEU N N 15 118.388 0.1 . 1 . . . . 128 L N . 16957 2 1373 . 1 1 125 125 LEU H H 1 8.115 0.05 . 1 . . . . 129 L H . 16957 2 1374 . 1 1 125 125 LEU HA H 1 3.842 0.05 . 1 . . . . 129 L HA . 16957 2 1375 . 1 1 125 125 LEU HB2 H 1 1.916 0.05 . 2 . . . . 129 L HB . 16957 2 1376 . 1 1 125 125 LEU HB3 H 1 1.916 0.05 . 2 . . . . 129 L HB . 16957 2 1377 . 1 1 125 125 LEU HD11 H 1 0.937 0.05 . 2 . . . . 129 L HD1 . 16957 2 1378 . 1 1 125 125 LEU HD12 H 1 0.937 0.05 . 2 . . . . 129 L HD1 . 16957 2 1379 . 1 1 125 125 LEU HD13 H 1 0.937 0.05 . 2 . . . . 129 L HD1 . 16957 2 1380 . 1 1 125 125 LEU HG H 1 1.811 0.05 . 1 . . . . 129 L HG . 16957 2 1381 . 1 1 125 125 LEU CD1 C 13 26.137 0.2 . 2 . . . . 129 L CD1 . 16957 2 1382 . 1 1 125 125 LEU N N 15 120.876 0.1 . 1 . . . . 129 L N . 16957 2 1383 . 1 1 126 126 ILE H H 1 8.076 0.05 . 1 . . . . 130 I H . 16957 2 1384 . 1 1 126 126 ILE HA H 1 3.591 0.05 . 1 . . . . 130 I HA . 16957 2 1385 . 1 1 126 126 ILE HB H 1 1.976 0.05 . 1 . . . . 130 I HB . 16957 2 1386 . 1 1 126 126 ILE HD11 H 1 0.732 0.05 . 1 . . . . 130 I HD1 . 16957 2 1387 . 1 1 126 126 ILE HD12 H 1 0.732 0.05 . 1 . . . . 130 I HD1 . 16957 2 1388 . 1 1 126 126 ILE HD13 H 1 0.732 0.05 . 1 . . . . 130 I HD1 . 16957 2 1389 . 1 1 126 126 ILE HG12 H 1 1.808 0.05 . 2 . . . . 130 I HG12 . 16957 2 1390 . 1 1 126 126 ILE HG13 H 1 1.036 0.05 . 2 . . . . 130 I HG13 . 16957 2 1391 . 1 1 126 126 ILE HG21 H 1 0.824 0.05 . 1 . . . . 130 I HG2 . 16957 2 1392 . 1 1 126 126 ILE HG22 H 1 0.824 0.05 . 1 . . . . 130 I HG2 . 16957 2 1393 . 1 1 126 126 ILE HG23 H 1 0.824 0.05 . 1 . . . . 130 I HG2 . 16957 2 1394 . 1 1 126 126 ILE CB C 13 37.860 0.2 . 1 . . . . 130 I CB . 16957 2 1395 . 1 1 126 126 ILE CD1 C 13 13.766 0.2 . 1 . . . . 130 I CD1 . 16957 2 1396 . 1 1 126 126 ILE CG1 C 13 28.927 0.2 . 1 . . . . 130 I CG1 . 16957 2 1397 . 1 1 126 126 ILE CG2 C 13 17.183 0.2 . 1 . . . . 130 I CG2 . 16957 2 1398 . 1 1 126 126 ILE N N 15 119.344 0.1 . 1 . . . . 130 I N . 16957 2 1399 . 1 1 127 127 ILE H H 1 8.118 0.05 . 1 . . . . 131 I H . 16957 2 1400 . 1 1 127 127 ILE HA H 1 3.635 0.05 . 1 . . . . 131 I HA . 16957 2 1401 . 1 1 127 127 ILE HB H 1 1.865 0.05 . 1 . . . . 131 I HB . 16957 2 1402 . 1 1 127 127 ILE HD11 H 1 0.748 0.05 . 1 . . . . 131 I HD1 . 16957 2 1403 . 1 1 127 127 ILE HD12 H 1 0.748 0.05 . 1 . . . . 131 I HD1 . 16957 2 1404 . 1 1 127 127 ILE HD13 H 1 0.748 0.05 . 1 . . . . 131 I HD1 . 16957 2 1405 . 1 1 127 127 ILE HG12 H 1 1.866 0.05 . 2 . . . . 131 I HG12 . 16957 2 1406 . 1 1 127 127 ILE HG13 H 1 1.028 0.05 . 2 . . . . 131 I HG13 . 16957 2 1407 . 1 1 127 127 ILE HG21 H 1 0.867 0.05 . 1 . . . . 131 I HG2 . 16957 2 1408 . 1 1 127 127 ILE HG22 H 1 0.867 0.05 . 1 . . . . 131 I HG2 . 16957 2 1409 . 1 1 127 127 ILE HG23 H 1 0.867 0.05 . 1 . . . . 131 I HG2 . 16957 2 1410 . 1 1 127 127 ILE CA C 13 65.189 0.2 . 1 . . . . 131 I CA . 16957 2 1411 . 1 1 127 127 ILE CB C 13 37.652 0.2 . 1 . . . . 131 I CB . 16957 2 1412 . 1 1 127 127 ILE CD1 C 13 13.241 0.2 . 1 . . . . 131 I CD1 . 16957 2 1413 . 1 1 127 127 ILE CG1 C 13 29.668 0.2 . 1 . . . . 131 I CG1 . 16957 2 1414 . 1 1 127 127 ILE CG2 C 13 17.215 0.2 . 1 . . . . 131 I CG2 . 16957 2 1415 . 1 1 127 127 ILE N N 15 119.310 0.1 . 1 . . . . 131 I N . 16957 2 1416 . 1 1 128 128 SER H H 1 8.611 0.05 . 1 . . . . 132 S H . 16957 2 1417 . 1 1 128 128 SER HA H 1 3.866 0.05 . 1 . . . . 132 S HA . 16957 2 1418 . 1 1 128 128 SER HB2 H 1 4.167 0.05 . 2 . . . . 132 S HB . 16957 2 1419 . 1 1 128 128 SER HB3 H 1 4.167 0.05 . 2 . . . . 132 S HB . 16957 2 1420 . 1 1 128 128 SER CB C 13 62.023 0.2 . 1 . . . . 132 S CB . 16957 2 1421 . 1 1 128 128 SER N N 15 115.713 0.1 . 1 . . . . 132 S N . 16957 2 1422 . 1 1 129 129 ARG H H 1 8.741 0.05 . 1 . . . . 133 R H . 16957 2 1423 . 1 1 129 129 ARG HA H 1 4.055 0.05 . 1 . . . . 133 R HA . 16957 2 1424 . 1 1 129 129 ARG HB2 H 1 1.993 0.05 . 2 . . . . 133 R HB2 . 16957 2 1425 . 1 1 129 129 ARG HB3 H 1 1.894 0.05 . 2 . . . . 133 R HB3 . 16957 2 1426 . 1 1 129 129 ARG HD2 H 1 3.146 0.05 . 2 . . . . 133 R HD . 16957 2 1427 . 1 1 129 129 ARG HD3 H 1 3.146 0.05 . 2 . . . . 133 R HD . 16957 2 1428 . 1 1 129 129 ARG HG2 H 1 1.714 0.05 . 2 . . . . 133 R HG . 16957 2 1429 . 1 1 129 129 ARG HG3 H 1 1.714 0.05 . 2 . . . . 133 R HG . 16957 2 1430 . 1 1 129 129 ARG CB C 13 29.681 0.2 . 1 . . . . 133 R CB . 16957 2 1431 . 1 1 129 129 ARG CD C 13 43.073 0.2 . 1 . . . . 133 R CD . 16957 2 1432 . 1 1 129 129 ARG N N 15 120.374 0.1 . 1 . . . . 133 R N . 16957 2 1433 . 1 1 130 130 GLY H H 1 8.711 0.05 . 1 . . . . 134 G H . 16957 2 1434 . 1 1 130 130 GLY HA2 H 1 3.633 0.05 . 2 . . . . 134 G HA2 . 16957 2 1435 . 1 1 130 130 GLY HA3 H 1 3.745 0.05 . 2 . . . . 134 G HA3 . 16957 2 1436 . 1 1 130 130 GLY CA C 13 47.356 0.2 . 1 . . . . 134 G CA . 16957 2 1437 . 1 1 130 130 GLY N N 15 107.293 0.1 . 1 . . . . 134 G N . 16957 2 1438 . 1 1 131 131 SER H H 1 8.552 0.05 . 1 . . . . 135 S H . 16957 2 1439 . 1 1 131 131 SER HA H 1 4.028 0.05 . 1 . . . . 135 S HA . 16957 2 1440 . 1 1 131 131 SER HB2 H 1 4.191 0.05 . 2 . . . . 135 S HB . 16957 2 1441 . 1 1 131 131 SER HB3 H 1 4.191 0.05 . 2 . . . . 135 S HB . 16957 2 1442 . 1 1 131 131 SER CA C 13 62.727 0.2 . 1 . . . . 135 S CA . 16957 2 1443 . 1 1 131 131 SER CB C 13 62.251 0.2 . 1 . . . . 135 S CB . 16957 2 1444 . 1 1 131 131 SER N N 15 117.441 0.1 . 1 . . . . 135 S N . 16957 2 1445 . 1 1 132 132 LYS H H 1 8.097 0.05 . 1 . . . . 136 K H . 16957 2 1446 . 1 1 132 132 LYS HA H 1 4.023 0.05 . 1 . . . . 136 K HA . 16957 2 1447 . 1 1 132 132 LYS HB2 H 1 1.988 0.05 . 2 . . . . 136 K HB . 16957 2 1448 . 1 1 132 132 LYS HB3 H 1 1.988 0.05 . 2 . . . . 136 K HB . 16957 2 1449 . 1 1 132 132 LYS HD2 H 1 1.763 0.05 . 2 . . . . 136 K HD2 . 16957 2 1450 . 1 1 132 132 LYS HD3 H 1 1.667 0.05 . 2 . . . . 136 K HD3 . 16957 2 1451 . 1 1 132 132 LYS HE2 H 1 2.860 0.05 . 2 . . . . 136 K HE . 16957 2 1452 . 1 1 132 132 LYS HE3 H 1 2.860 0.05 . 2 . . . . 136 K HE . 16957 2 1453 . 1 1 132 132 LYS HG2 H 1 1.552 0.05 . 2 . . . . 136 K HG2 . 16957 2 1454 . 1 1 132 132 LYS HG3 H 1 1.468 0.05 . 2 . . . . 136 K HG3 . 16957 2 1455 . 1 1 132 132 LYS CD C 13 28.340 0.2 . 1 . . . . 136 K CD . 16957 2 1456 . 1 1 132 132 LYS CE C 13 41.692 0.2 . 1 . . . . 136 K CE . 16957 2 1457 . 1 1 132 132 LYS CG C 13 24.167 0.2 . 1 . . . . 136 K CG . 16957 2 1458 . 1 1 132 132 LYS N N 15 122.200 0.1 . 1 . . . . 136 K N . 16957 2 1459 . 1 1 133 133 PHE H H 1 7.990 0.05 . 1 . . . . 137 F H . 16957 2 1460 . 1 1 133 133 PHE HA H 1 4.344 0.05 . 1 . . . . 137 F HA . 16957 2 1461 . 1 1 133 133 PHE HB2 H 1 3.303 0.05 . 2 . . . . 137 F HB2 . 16957 2 1462 . 1 1 133 133 PHE HB3 H 1 3.149 0.05 . 2 . . . . 137 F HB3 . 16957 2 1463 . 1 1 133 133 PHE HD1 H 1 7.316 0.05 . 3 . . . . 137 F HD . 16957 2 1464 . 1 1 133 133 PHE HD2 H 1 7.316 0.05 . 3 . . . . 137 F HD . 16957 2 1465 . 1 1 133 133 PHE HE1 H 1 7.104 0.05 . 3 . . . . 137 F HE . 16957 2 1466 . 1 1 133 133 PHE HE2 H 1 7.104 0.05 . 3 . . . . 137 F HE . 16957 2 1467 . 1 1 133 133 PHE HZ H 1 7.042 0.05 . 1 . . . . 137 F HZ . 16957 2 1468 . 1 1 133 133 PHE CA C 13 60.493 0.2 . 1 . . . . 137 F CA . 16957 2 1469 . 1 1 133 133 PHE CD1 C 13 132.812 0.2 . 3 . . . . 137 F CD . 16957 2 1470 . 1 1 133 133 PHE CD2 C 13 132.812 0.2 . 3 . . . . 137 F CD . 16957 2 1471 . 1 1 133 133 PHE CE1 C 13 131.366 0.2 . 3 . . . . 137 F CE . 16957 2 1472 . 1 1 133 133 PHE CE2 C 13 131.366 0.2 . 3 . . . . 137 F CE . 16957 2 1473 . 1 1 133 133 PHE CZ C 13 129.419 0.2 . 1 . . . . 137 F CZ . 16957 2 1474 . 1 1 133 133 PHE N N 15 118.983 0.1 . 1 . . . . 137 F N . 16957 2 1475 . 1 1 134 134 LEU H H 1 7.930 0.05 . 1 . . . . 138 L H . 16957 2 1476 . 1 1 134 134 LEU HA H 1 3.637 0.05 . 1 . . . . 138 L HA . 16957 2 1477 . 1 1 134 134 LEU HB2 H 1 1.900 0.05 . 2 . . . . 138 L HB2 . 16957 2 1478 . 1 1 134 134 LEU HB3 H 1 1.467 0.05 . 2 . . . . 138 L HB3 . 16957 2 1479 . 1 1 134 134 LEU HD11 H 1 0.886 0.05 . 1 . . . . 138 L HD1 . 16957 2 1480 . 1 1 134 134 LEU HD12 H 1 0.886 0.05 . 1 . . . . 138 L HD1 . 16957 2 1481 . 1 1 134 134 LEU HD13 H 1 0.886 0.05 . 1 . . . . 138 L HD1 . 16957 2 1482 . 1 1 134 134 LEU HD21 H 1 0.811 0.05 . 1 . . . . 138 L HD2 . 16957 2 1483 . 1 1 134 134 LEU HD22 H 1 0.811 0.05 . 1 . . . . 138 L HD2 . 16957 2 1484 . 1 1 134 134 LEU HD23 H 1 0.811 0.05 . 1 . . . . 138 L HD2 . 16957 2 1485 . 1 1 134 134 LEU HG H 1 1.631 0.05 . 1 . . . . 138 L HG . 16957 2 1486 . 1 1 134 134 LEU CB C 13 41.392 0.2 . 1 . . . . 138 L CB . 16957 2 1487 . 1 1 134 134 LEU CD1 C 13 25.472 0.2 . 1 . . . . 138 L CD1 . 16957 2 1488 . 1 1 134 134 LEU CD2 C 13 23.111 0.2 . 1 . . . . 138 L CD2 . 16957 2 1489 . 1 1 134 134 LEU N N 15 118.078 0.1 . 1 . . . . 138 L N . 16957 2 1490 . 1 1 135 135 SER H H 1 8.342 0.05 . 1 . . . . 139 S H . 16957 2 1491 . 1 1 135 135 SER HA H 1 4.104 0.05 . 1 . . . . 139 S HA . 16957 2 1492 . 1 1 135 135 SER HB2 H 1 3.989 0.05 . 2 . . . . 139 S HB2 . 16957 2 1493 . 1 1 135 135 SER HB3 H 1 3.950 0.05 . 2 . . . . 139 S HB3 . 16957 2 1494 . 1 1 135 135 SER CA C 13 61.362 0.2 . 1 . . . . 139 S CA . 16957 2 1495 . 1 1 135 135 SER CB C 13 62.785 0.2 . 1 . . . . 139 S CB . 16957 2 1496 . 1 1 135 135 SER N N 15 113.914 0.1 . 1 . . . . 139 S N . 16957 2 1497 . 1 1 136 136 ALA H H 1 8.041 0.05 . 1 . . . . 140 A H . 16957 2 1498 . 1 1 136 136 ALA HA H 1 4.231 0.05 . 1 . . . . 140 A HA . 16957 2 1499 . 1 1 136 136 ALA HB1 H 1 1.480 0.05 . 1 . . . . 140 A HB . 16957 2 1500 . 1 1 136 136 ALA HB2 H 1 1.480 0.05 . 1 . . . . 140 A HB . 16957 2 1501 . 1 1 136 136 ALA HB3 H 1 1.480 0.05 . 1 . . . . 140 A HB . 16957 2 1502 . 1 1 136 136 ALA CA C 13 54.726 0.2 . 1 . . . . 140 A CA . 16957 2 1503 . 1 1 136 136 ALA CB C 13 17.927 0.2 . 1 . . . . 140 A CB . 16957 2 1504 . 1 1 136 136 ALA N N 15 124.117 0.1 . 1 . . . . 140 A N . 16957 2 1505 . 1 1 137 137 ILE H H 1 7.931 0.05 . 1 . . . . 141 I H . 16957 2 1506 . 1 1 137 137 ILE HA H 1 3.936 0.05 . 1 . . . . 141 I HA . 16957 2 1507 . 1 1 137 137 ILE HB H 1 1.700 0.05 . 1 . . . . 141 I HB . 16957 2 1508 . 1 1 137 137 ILE HD11 H 1 0.676 0.05 . 1 . . . . 141 I HD1 . 16957 2 1509 . 1 1 137 137 ILE HD12 H 1 0.676 0.05 . 1 . . . . 141 I HD1 . 16957 2 1510 . 1 1 137 137 ILE HD13 H 1 0.676 0.05 . 1 . . . . 141 I HD1 . 16957 2 1511 . 1 1 137 137 ILE HG12 H 1 1.285 0.05 . 2 . . . . 141 I HG12 . 16957 2 1512 . 1 1 137 137 ILE HG13 H 1 1.079 0.05 . 2 . . . . 141 I HG13 . 16957 2 1513 . 1 1 137 137 ILE HG21 H 1 0.692 0.05 . 1 . . . . 141 I HG2 . 16957 2 1514 . 1 1 137 137 ILE HG22 H 1 0.692 0.05 . 1 . . . . 141 I HG2 . 16957 2 1515 . 1 1 137 137 ILE HG23 H 1 0.692 0.05 . 1 . . . . 141 I HG2 . 16957 2 1516 . 1 1 137 137 ILE CA C 13 62.741 0.2 . 1 . . . . 141 I CA . 16957 2 1517 . 1 1 137 137 ILE CB C 13 37.000 0.2 . 1 . . . . 141 I CB . 16957 2 1518 . 1 1 137 137 ILE CD1 C 13 12.999 0.2 . 1 . . . . 141 I CD1 . 16957 2 1519 . 1 1 137 137 ILE CG1 C 13 28.351 0.2 . 1 . . . . 141 I CG1 . 16957 2 1520 . 1 1 137 137 ILE CG2 C 13 17.863 0.2 . 1 . . . . 141 I CG2 . 16957 2 1521 . 1 1 137 137 ILE N N 15 116.868 0.1 . 1 . . . . 141 I N . 16957 2 1522 . 1 1 138 138 ALA H H 1 7.722 0.05 . 1 . . . . 142 A H . 16957 2 1523 . 1 1 138 138 ALA HA H 1 3.997 0.05 . 1 . . . . 142 A HA . 16957 2 1524 . 1 1 138 138 ALA HB1 H 1 1.473 0.05 . 1 . . . . 142 A HB . 16957 2 1525 . 1 1 138 138 ALA HB2 H 1 1.473 0.05 . 1 . . . . 142 A HB . 16957 2 1526 . 1 1 138 138 ALA HB3 H 1 1.473 0.05 . 1 . . . . 142 A HB . 16957 2 1527 . 1 1 138 138 ALA CA C 13 55.065 0.2 . 1 . . . . 142 A CA . 16957 2 1528 . 1 1 138 138 ALA N N 15 123.760 0.1 . 1 . . . . 142 A N . 16957 2 1529 . 1 1 139 139 ASP H H 1 7.905 0.05 . 1 . . . . 143 D H . 16957 2 1530 . 1 1 139 139 ASP HA H 1 4.458 0.05 . 1 . . . . 143 D HA . 16957 2 1531 . 1 1 139 139 ASP HB2 H 1 2.777 0.05 . 2 . . . . 143 D HB2 . 16957 2 1532 . 1 1 139 139 ASP HB3 H 1 2.707 0.05 . 2 . . . . 143 D HB3 . 16957 2 1533 . 1 1 139 139 ASP CA C 13 56.565 0.2 . 1 . . . . 143 D CA . 16957 2 1534 . 1 1 139 139 ASP CB C 13 41.360 0.2 . 1 . . . . 143 D CB . 16957 2 1535 . 1 1 139 139 ASP N N 15 117.944 0.1 . 1 . . . . 143 D N . 16957 2 1536 . 1 1 140 140 ALA H H 1 7.977 0.05 . 1 . . . . 144 A H . 16957 2 1537 . 1 1 140 140 ALA HA H 1 4.079 0.05 . 1 . . . . 144 A HA . 16957 2 1538 . 1 1 140 140 ALA HB1 H 1 1.406 0.05 . 1 . . . . 144 A HB . 16957 2 1539 . 1 1 140 140 ALA HB2 H 1 1.406 0.05 . 1 . . . . 144 A HB . 16957 2 1540 . 1 1 140 140 ALA HB3 H 1 1.406 0.05 . 1 . . . . 144 A HB . 16957 2 1541 . 1 1 140 140 ALA CA C 13 54.328 0.2 . 1 . . . . 144 A CA . 16957 2 1542 . 1 1 140 140 ALA CB C 13 18.191 0.2 . 1 . . . . 144 A CB . 16957 2 1543 . 1 1 140 140 ALA N N 15 121.103 0.1 . 1 . . . . 144 A N . 16957 2 1544 . 1 1 141 141 ALA H H 1 8.330 0.05 . 1 . . . . 145 A H . 16957 2 1545 . 1 1 141 141 ALA HA H 1 3.944 0.05 . 1 . . . . 145 A HA . 16957 2 1546 . 1 1 141 141 ALA HB1 H 1 1.456 0.05 . 1 . . . . 145 A HB . 16957 2 1547 . 1 1 141 141 ALA HB2 H 1 1.456 0.05 . 1 . . . . 145 A HB . 16957 2 1548 . 1 1 141 141 ALA HB3 H 1 1.456 0.05 . 1 . . . . 145 A HB . 16957 2 1549 . 1 1 141 141 ALA CA C 13 54.988 0.2 . 1 . . . . 145 A CA . 16957 2 1550 . 1 1 141 141 ALA CB C 13 18.131 0.2 . 1 . . . . 145 A CB . 16957 2 1551 . 1 1 141 141 ALA N N 15 119.350 0.1 . 1 . . . . 145 A N . 16957 2 1552 . 1 1 142 142 ASP H H 1 7.816 0.05 . 1 . . . . 146 D H . 16957 2 1553 . 1 1 142 142 ASP HA H 1 4.439 0.05 . 1 . . . . 146 D HA . 16957 2 1554 . 1 1 142 142 ASP HB2 H 1 2.789 0.05 . 2 . . . . 146 D HB2 . 16957 2 1555 . 1 1 142 142 ASP HB3 H 1 2.745 0.05 . 2 . . . . 146 D HB3 . 16957 2 1556 . 1 1 142 142 ASP CA C 13 56.353 0.2 . 1 . . . . 146 D CA . 16957 2 1557 . 1 1 142 142 ASP CB C 13 41.133 0.2 . 1 . . . . 146 D CB . 16957 2 1558 . 1 1 142 142 ASP N N 15 116.321 0.1 . 1 . . . . 146 D N . 16957 2 1559 . 1 1 143 143 LYS H H 1 7.604 0.05 . 1 . . . . 147 K H . 16957 2 1560 . 1 1 143 143 LYS HA H 1 4.231 0.05 . 1 . . . . 147 K HA . 16957 2 1561 . 1 1 143 143 LYS HB2 H 1 1.901 0.05 . 2 . . . . 147 K HB2 . 16957 2 1562 . 1 1 143 143 LYS HB3 H 1 1.842 0.05 . 2 . . . . 147 K HB3 . 16957 2 1563 . 1 1 143 143 LYS HD2 H 1 1.654 0.05 . 2 . . . . 147 K HD2 . 16957 2 1564 . 1 1 143 143 LYS HD3 H 1 1.606 0.05 . 2 . . . . 147 K HD3 . 16957 2 1565 . 1 1 143 143 LYS HE2 H 1 2.993 0.05 . 2 . . . . 147 K HE . 16957 2 1566 . 1 1 143 143 LYS HE3 H 1 2.993 0.05 . 2 . . . . 147 K HE . 16957 2 1567 . 1 1 143 143 LYS HG2 H 1 1.589 0.05 . 2 . . . . 147 K HG2 . 16957 2 1568 . 1 1 143 143 LYS HG3 H 1 1.509 0.05 . 2 . . . . 147 K HG3 . 16957 2 1569 . 1 1 143 143 LYS CA C 13 56.976 0.2 . 1 . . . . 147 K CA . 16957 2 1570 . 1 1 143 143 LYS CB C 13 33.095 0.2 . 1 . . . . 147 K CB . 16957 2 1571 . 1 1 143 143 LYS CD C 13 28.739 0.2 . 1 . . . . 147 K CD . 16957 2 1572 . 1 1 143 143 LYS CE C 13 41.941 0.2 . 1 . . . . 147 K CE . 16957 2 1573 . 1 1 143 143 LYS CG C 13 25.357 0.2 . 1 . . . . 147 K CG . 16957 2 1574 . 1 1 143 143 LYS N N 15 116.140 0.1 . 1 . . . . 147 K N . 16957 2 1575 . 1 1 144 144 LEU H H 1 7.784 0.05 . 1 . . . . 148 L H . 16957 2 1576 . 1 1 144 144 LEU HA H 1 4.303 0.05 . 1 . . . . 148 L HA . 16957 2 1577 . 1 1 144 144 LEU HB2 H 1 1.760 0.05 . 2 . . . . 148 L HB2 . 16957 2 1578 . 1 1 144 144 LEU HB3 H 1 1.578 0.05 . 2 . . . . 148 L HB3 . 16957 2 1579 . 1 1 144 144 LEU HD11 H 1 0.859 0.05 . 1 . . . . 148 L HD1 . 16957 2 1580 . 1 1 144 144 LEU HD12 H 1 0.859 0.05 . 1 . . . . 148 L HD1 . 16957 2 1581 . 1 1 144 144 LEU HD13 H 1 0.859 0.05 . 1 . . . . 148 L HD1 . 16957 2 1582 . 1 1 144 144 LEU HD21 H 1 0.853 0.05 . 1 . . . . 148 L HD2 . 16957 2 1583 . 1 1 144 144 LEU HD22 H 1 0.853 0.05 . 1 . . . . 148 L HD2 . 16957 2 1584 . 1 1 144 144 LEU HD23 H 1 0.853 0.05 . 1 . . . . 148 L HD2 . 16957 2 1585 . 1 1 144 144 LEU HG H 1 1.753 0.05 . 1 . . . . 148 L HG . 16957 2 1586 . 1 1 144 144 LEU CA C 13 55.469 0.2 . 1 . . . . 148 L CA . 16957 2 1587 . 1 1 144 144 LEU CB C 13 43.257 0.2 . 1 . . . . 148 L CB . 16957 2 1588 . 1 1 144 144 LEU CD1 C 13 25.546 0.2 . 1 . . . . 148 L CD1 . 16957 2 1589 . 1 1 144 144 LEU CD2 C 13 23.289 0.2 . 1 . . . . 148 L CD2 . 16957 2 1590 . 1 1 144 144 LEU CG C 13 26.870 0.2 . 1 . . . . 148 L CG . 16957 2 1591 . 1 1 144 144 LEU N N 15 118.599 0.1 . 1 . . . . 148 L N . 16957 2 1592 . 1 1 145 145 VAL H H 1 7.618 0.05 . 1 . . . . 149 V H . 16957 2 1593 . 1 1 145 145 VAL HA H 1 4.327 0.05 . 1 . . . . 149 V HA . 16957 2 1594 . 1 1 145 145 VAL HB H 1 2.141 0.05 . 1 . . . . 149 V HB . 16957 2 1595 . 1 1 145 145 VAL HG11 H 1 0.960 0.05 . 1 . . . . 149 V HG1 . 16957 2 1596 . 1 1 145 145 VAL HG12 H 1 0.960 0.05 . 1 . . . . 149 V HG1 . 16957 2 1597 . 1 1 145 145 VAL HG13 H 1 0.960 0.05 . 1 . . . . 149 V HG1 . 16957 2 1598 . 1 1 145 145 VAL HG21 H 1 0.969 0.05 . 1 . . . . 149 V HG2 . 16957 2 1599 . 1 1 145 145 VAL HG22 H 1 0.969 0.05 . 1 . . . . 149 V HG2 . 16957 2 1600 . 1 1 145 145 VAL HG23 H 1 0.969 0.05 . 1 . . . . 149 V HG2 . 16957 2 1601 . 1 1 145 145 VAL CA C 13 59.881 0.2 . 1 . . . . 149 V CA . 16957 2 1602 . 1 1 145 145 VAL CB C 13 32.352 0.2 . 1 . . . . 149 V CB . 16957 2 1603 . 1 1 145 145 VAL CG1 C 13 21.171 0.2 . 1 . . . . 149 V CG1 . 16957 2 1604 . 1 1 145 145 VAL CG2 C 13 20.912 0.2 . 1 . . . . 149 V CG2 . 16957 2 1605 . 1 1 145 145 VAL N N 15 119.279 0.1 . 1 . . . . 149 V N . 16957 2 1606 . 1 1 146 146 PRO HA H 1 4.426 0.05 . 1 . . . . 150 P HA . 16957 2 1607 . 1 1 146 146 PRO HB2 H 1 2.256 0.05 . 2 . . . . 150 P HB2 . 16957 2 1608 . 1 1 146 146 PRO HB3 H 1 1.944 0.05 . 2 . . . . 150 P HB3 . 16957 2 1609 . 1 1 146 146 PRO HD2 H 1 3.849 0.05 . 2 . . . . 150 P HD2 . 16957 2 1610 . 1 1 146 146 PRO HD3 H 1 3.638 0.05 . 2 . . . . 150 P HD3 . 16957 2 1611 . 1 1 146 146 PRO HG2 H 1 2.060 0.05 . 2 . . . . 150 P HG2 . 16957 2 1612 . 1 1 146 146 PRO HG3 H 1 1.947 0.05 . 2 . . . . 150 P HG3 . 16957 2 1613 . 1 1 146 146 PRO CA C 13 63.255 0.2 . 1 . . . . 150 P CA . 16957 2 1614 . 1 1 146 146 PRO CB C 13 31.723 0.2 . 1 . . . . 150 P CB . 16957 2 1615 . 1 1 146 146 PRO CD C 13 50.816 0.2 . 1 . . . . 150 P CD . 16957 2 1616 . 1 1 146 146 PRO CG C 13 27.376 0.2 . 1 . . . . 150 P CG . 16957 2 1617 . 1 1 147 147 ARG H H 1 7.889 0.05 . 1 . . . . 151 R H . 16957 2 1618 . 1 1 147 147 ARG HA H 1 4.183 0.05 . 1 . . . . 151 R HA . 16957 2 1619 . 1 1 147 147 ARG HB2 H 1 1.856 0.05 . 2 . . . . 151 R HB2 . 16957 2 1620 . 1 1 147 147 ARG HB3 H 1 1.695 0.05 . 2 . . . . 151 R HB3 . 16957 2 1621 . 1 1 147 147 ARG HD2 H 1 3.177 0.05 . 2 . . . . 151 R HD . 16957 2 1622 . 1 1 147 147 ARG HD3 H 1 3.177 0.05 . 2 . . . . 151 R HD . 16957 2 1623 . 1 1 147 147 ARG HG2 H 1 1.653 0.05 . 2 . . . . 151 R HG . 16957 2 1624 . 1 1 147 147 ARG HG3 H 1 1.653 0.05 . 2 . . . . 151 R HG . 16957 2 1625 . 1 1 147 147 ARG CA C 13 57.091 0.2 . 1 . . . . 151 R CA . 16957 2 1626 . 1 1 147 147 ARG CB C 13 31.723 0.2 . 1 . . . . 151 R CB . 16957 2 1627 . 1 1 147 147 ARG CD C 13 43.257 0.2 . 1 . . . . 151 R CD . 16957 2 1628 . 1 1 147 147 ARG CG C 13 27.127 0.2 . 1 . . . . 151 R CG . 16957 2 1629 . 1 1 147 147 ARG N N 15 126.873 0.1 . 1 . . . . 151 R N . 16957 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 16957 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 12 '2D HN(CO)' . . . 16957 3 13 '2D H(N)CO' . . . 16957 3 14 '2D HN(CA)' . . . 16957 3 15 '2D H(N)CA' . . . 16957 3 16 '2D HN(CO)' . . . 16957 3 17 '2D H(N)CO' . . . 16957 3 18 '2D HN(CA)' . . . 16957 3 19 '2D H(N)CA' . . . 16957 3 20 '2D 1H-15N HSQC' . . . 16957 3 21 '2D 1H-15N HSQC' . . . 16957 3 22 '2D 1H-15N HSQC' . . . 16957 3 23 '2D HN(CA)' . . . 16957 3 24 '2D H(N)CA' . . . 16957 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16957 3 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 3 3 GLY CA C 13 45.261 0.2 . 1 . . . . 7 G CA . 16957 3 2 . 1 1 4 4 LEU H H 1 8.477 0.05 . 1 . . . . 8 L H . 16957 3 3 . 1 1 4 4 LEU N N 15 121.911 0.1 . 1 . . . . 8 L N . 16957 3 4 . 1 1 7 7 LEU H H 1 8.002 0.05 . 1 . . . . 11 L H . 16957 3 5 . 1 1 7 7 LEU C C 13 176.657 0.2 . 1 . . . . 11 L C . 16957 3 6 . 1 1 7 7 LEU CA C 13 56.060 0.2 . 1 . . . . 11 L CA . 16957 3 7 . 1 1 7 7 LEU N N 15 121.132 0.1 . 1 . . . . 11 L N . 16957 3 8 . 1 1 10 10 ARG H H 1 7.943 0.05 . 1 . . . . 14 R H . 16957 3 9 . 1 1 10 10 ARG CA C 13 56.331 0.2 . 1 . . . . 14 R CA . 16957 3 10 . 1 1 10 10 ARG N N 15 119.926 0.1 . 1 . . . . 14 R N . 16957 3 11 . 1 1 11 11 VAL H H 1 7.936 0.05 . 1 . . . . 15 V H . 16957 3 12 . 1 1 11 11 VAL N N 15 119.196 0.1 . 1 . . . . 15 V N . 16957 3 13 . 1 1 12 12 ARG H H 1 8.571 0.05 . 1 . . . . 16 R H . 16957 3 14 . 1 1 12 12 ARG CA C 13 56.507 0.2 . 1 . . . . 16 R CA . 16957 3 15 . 1 1 12 12 ARG N N 15 124.104 0.1 . 1 . . . . 16 R N . 16957 3 16 . 1 1 14 14 ILE H H 1 8.423 0.05 . 1 . . . . 18 I H . 16957 3 17 . 1 1 14 14 ILE N N 15 120.385 0.1 . 1 . . . . 18 I N . 16957 3 18 . 1 1 25 25 LEU H H 1 8.137 0.05 . 1 . . . . 29 L H . 16957 3 19 . 1 1 25 25 LEU N N 15 119.991 0.1 . 1 . . . . 29 L N . 16957 3 20 . 1 1 32 32 LEU H H 1 8.309 0.05 . 1 . . . . 36 L H . 16957 3 21 . 1 1 32 32 LEU C C 13 179.008 0.2 . 1 . . . . 36 L C . 16957 3 22 . 1 1 32 32 LEU N N 15 120.940 0.1 . 1 . . . . 36 L N . 16957 3 23 . 1 1 33 33 LEU H H 1 8.724 0.05 . 1 . . . . 37 L H . 16957 3 24 . 1 1 33 33 LEU N N 15 118.868 0.1 . 1 . . . . 37 L N . 16957 3 25 . 1 1 35 35 VAL C C 13 176.926 0.2 . 1 . . . . 39 V C . 16957 3 26 . 1 1 36 36 ILE H H 1 7.519 0.05 . 1 . . . . 40 I H . 16957 3 27 . 1 1 36 36 ILE N N 15 119.381 0.1 . 1 . . . . 40 I N . 16957 3 28 . 1 1 46 46 LEU H H 1 8.170 0.05 . 1 . . . . 50 L H . 16957 3 29 . 1 1 46 46 LEU N N 15 122.716 0.1 . 1 . . . . 50 L N . 16957 3 30 . 1 1 51 51 LEU H H 1 7.832 0.05 . 1 . . . . 55 L H . 16957 3 31 . 1 1 51 51 LEU N N 15 121.250 0.1 . 1 . . . . 55 L N . 16957 3 32 . 1 1 53 53 ARG H H 1 7.367 0.05 . 1 . . . . 57 R H . 16957 3 33 . 1 1 53 53 ARG CA C 13 60.434 0.2 . 1 . . . . 57 R CA . 16957 3 34 . 1 1 53 53 ARG N N 15 116.497 0.1 . 1 . . . . 57 R N . 16957 3 35 . 1 1 54 54 LEU H H 1 8.009 0.05 . 1 . . . . 58 L H . 16957 3 36 . 1 1 54 54 LEU N N 15 120.259 0.1 . 1 . . . . 58 L N . 16957 3 37 . 1 1 56 56 LEU H H 1 8.453 0.05 . 1 . . . . 60 L H . 16957 3 38 . 1 1 56 56 LEU N N 15 123.431 0.1 . 1 . . . . 60 L N . 16957 3 39 . 1 1 59 59 LEU H H 1 7.760 0.05 . 1 . . . . 63 L H . 16957 3 40 . 1 1 59 59 LEU CA C 13 58.295 0.2 . 1 . . . . 63 L CA . 16957 3 41 . 1 1 59 59 LEU N N 15 117.137 0.1 . 1 . . . . 63 L N . 16957 3 42 . 1 1 60 60 ILE H H 1 7.725 0.05 . 1 . . . . 64 I H . 16957 3 43 . 1 1 60 60 ILE N N 15 117.261 0.1 . 1 . . . . 64 I N . 16957 3 44 . 1 1 61 61 LEU H H 1 8.038 0.05 . 1 . . . . 65 L H . 16957 3 45 . 1 1 61 61 LEU N N 15 117.119 0.1 . 1 . . . . 65 L N . 16957 3 46 . 1 1 62 62 VAL C C 13 177.649 0.2 . 1 . . . . 66 V C . 16957 3 47 . 1 1 63 63 ILE H H 1 8.095 0.05 . 1 . . . . 67 I H . 16957 3 48 . 1 1 63 63 ILE N N 15 121.636 0.1 . 1 . . . . 67 I N . 16957 3 49 . 1 1 64 64 ILE H H 1 7.550 0.05 . 1 . . . . 68 I H . 16957 3 50 . 1 1 64 64 ILE N N 15 119.425 0.1 . 1 . . . . 68 I N . 16957 3 51 . 1 1 65 65 LEU H H 1 8.113 0.05 . 1 . . . . 69 L H . 16957 3 52 . 1 1 65 65 LEU N N 15 118.075 0.1 . 1 . . . . 69 L N . 16957 3 53 . 1 1 72 72 ARG H H 1 8.148 0.05 . 1 . . . . 76 R H . 16957 3 54 . 1 1 72 72 ARG CA C 13 60.151 0.2 . 1 . . . . 76 R CA . 16957 3 55 . 1 1 72 72 ARG N N 15 119.328 0.1 . 1 . . . . 76 R N . 16957 3 56 . 1 1 87 87 LEU H H 1 7.233 0.05 . 1 . . . . 91 L H . 16957 3 57 . 1 1 87 87 LEU N N 15 122.019 0.1 . 1 . . . . 91 L N . 16957 3 58 . 1 1 90 90 ILE H H 1 7.288 0.05 . 1 . . . . 94 I H . 16957 3 59 . 1 1 90 90 ILE N N 15 116.905 0.1 . 1 . . . . 94 I N . 16957 3 60 . 1 1 93 93 LEU H H 1 7.552 0.05 . 1 . . . . 97 L H . 16957 3 61 . 1 1 93 93 LEU N N 15 112.956 0.1 . 1 . . . . 97 L N . 16957 3 62 . 1 1 98 98 LEU H H 1 7.124 0.05 . 1 . . . . 102 L H . 16957 3 63 . 1 1 98 98 LEU C C 13 177.850 0.2 . 1 . . . . 102 L C . 16957 3 64 . 1 1 98 98 LEU N N 15 118.250 0.1 . 1 . . . . 102 L N . 16957 3 65 . 1 1 99 99 LEU H H 1 6.848 0.05 . 1 . . . . 103 L H . 16957 3 66 . 1 1 99 99 LEU N N 15 116.376 0.1 . 1 . . . . 103 L N . 16957 3 67 . 1 1 101 101 LEU H H 1 7.674 0.05 . 1 . . . . 105 L H . 16957 3 68 . 1 1 101 101 LEU CA C 13 57.998 0.2 . 1 . . . . 105 L CA . 16957 3 69 . 1 1 101 101 LEU N N 15 118.940 0.1 . 1 . . . . 105 L N . 16957 3 70 . 1 1 102 102 ILE H H 1 7.827 0.05 . 1 . . . . 106 I H . 16957 3 71 . 1 1 102 102 ILE N N 15 118.269 0.1 . 1 . . . . 106 I N . 16957 3 72 . 1 1 106 106 LEU H H 1 8.370 0.05 . 1 . . . . 110 L H . 16957 3 73 . 1 1 106 106 LEU N N 15 117.874 0.1 . 1 . . . . 110 L N . 16957 3 74 . 1 1 109 109 LEU H H 1 7.144 0.05 . 1 . . . . 113 L H . 16957 3 75 . 1 1 109 109 LEU N N 15 118.843 0.1 . 1 . . . . 113 L N . 16957 3 76 . 1 1 111 111 LEU H H 1 7.569 0.05 . 1 . . . . 115 L H . 16957 3 77 . 1 1 111 111 LEU N N 15 122.282 0.1 . 1 . . . . 115 L N . 16957 3 78 . 1 1 114 114 LEU H H 1 7.292 0.05 . 1 . . . . 118 L H . 16957 3 79 . 1 1 114 114 LEU N N 15 117.190 0.1 . 1 . . . . 118 L N . 16957 3 80 . 1 1 116 116 ARG H H 1 7.677 0.05 . 1 . . . . 120 R H . 16957 3 81 . 1 1 116 116 ARG CA C 13 59.671 0.2 . 1 . . . . 120 R CA . 16957 3 82 . 1 1 116 116 ARG N N 15 117.679 0.1 . 1 . . . . 120 R N . 16957 3 83 . 1 1 117 117 LEU C C 13 178.176 0.2 . 1 . . . . 121 L C . 16957 3 84 . 1 1 118 118 LEU H H 1 8.091 0.05 . 1 . . . . 122 L H . 16957 3 85 . 1 1 118 118 LEU N N 15 120.725 0.1 . 1 . . . . 122 L N . 16957 3 86 . 1 1 119 119 ARG H H 1 8.189 0.05 . 1 . . . . 123 R H . 16957 3 87 . 1 1 119 119 ARG CA C 13 59.537 0.2 . 1 . . . . 123 R CA . 16957 3 88 . 1 1 119 119 ARG N N 15 119.208 0.1 . 1 . . . . 123 R N . 16957 3 89 . 1 1 121 121 LEU H H 1 8.362 0.05 . 1 . . . . 125 L H . 16957 3 90 . 1 1 121 121 LEU N N 15 118.398 0.1 . 1 . . . . 125 L N . 16957 3 91 . 1 1 122 122 ARG H H 1 7.984 0.05 . 1 . . . . 126 R H . 16957 3 92 . 1 1 122 122 ARG CA C 13 59.832 0.2 . 1 . . . . 126 R CA . 16957 3 93 . 1 1 122 122 ARG N N 15 117.984 0.1 . 1 . . . . 126 R N . 16957 3 94 . 1 1 123 123 ILE H H 1 7.708 0.05 . 1 . . . . 127 I H . 16957 3 95 . 1 1 123 123 ILE N N 15 118.152 0.1 . 1 . . . . 127 I N . 16957 3 96 . 1 1 124 124 LEU C C 13 178.465 0.2 . 1 . . . . 128 L C . 16957 3 97 . 1 1 125 125 LEU H H 1 8.074 0.05 . 1 . . . . 129 L H . 16957 3 98 . 1 1 125 125 LEU CA C 13 59.682 0.2 . 1 . . . . 129 L CA . 16957 3 99 . 1 1 125 125 LEU N N 15 120.912 0.1 . 1 . . . . 129 L N . 16957 3 100 . 1 1 126 126 ILE H H 1 8.043 0.05 . 1 . . . . 130 I H . 16957 3 101 . 1 1 126 126 ILE N N 15 119.444 0.1 . 1 . . . . 130 I N . 16957 3 102 . 1 1 127 127 ILE H H 1 8.084 0.05 . 1 . . . . 131 I H . 16957 3 103 . 1 1 127 127 ILE N N 15 119.266 0.1 . 1 . . . . 131 I N . 16957 3 104 . 1 1 129 129 ARG H H 1 8.691 0.05 . 1 . . . . 133 R H . 16957 3 105 . 1 1 129 129 ARG CA C 13 60.531 0.2 . 1 . . . . 133 R CA . 16957 3 106 . 1 1 129 129 ARG N N 15 120.634 0.1 . 1 . . . . 133 R N . 16957 3 107 . 1 1 134 134 LEU H H 1 7.932 0.05 . 1 . . . . 138 L H . 16957 3 108 . 1 1 134 134 LEU N N 15 118.119 0.1 . 1 . . . . 138 L N . 16957 3 109 . 1 1 137 137 ILE H H 1 7.910 0.05 . 1 . . . . 141 I H . 16957 3 110 . 1 1 137 137 ILE N N 15 116.816 0.1 . 1 . . . . 141 I N . 16957 3 111 . 1 1 144 144 LEU H H 1 7.782 0.05 . 1 . . . . 148 L H . 16957 3 112 . 1 1 144 144 LEU C C 13 176.648 0.2 . 1 . . . . 148 L C . 16957 3 113 . 1 1 144 144 LEU CA C 13 55.753 0.2 . 1 . . . . 148 L CA . 16957 3 114 . 1 1 144 144 LEU N N 15 118.548 0.1 . 1 . . . . 148 L N . 16957 3 115 . 1 1 145 145 VAL H H 1 7.607 0.05 . 1 . . . . 149 V H . 16957 3 116 . 1 1 145 145 VAL N N 15 119.320 0.1 . 1 . . . . 149 V N . 16957 3 117 . 1 1 147 147 ARG H H 1 7.836 0.05 . 1 . . . . 151 R H . 16957 3 118 . 1 1 147 147 ARG CA C 13 57.133 0.2 . 1 . . . . 151 R CA . 16957 3 119 . 1 1 147 147 ARG N N 15 127.016 0.1 . 1 . . . . 151 R N . 16957 3 stop_ save_