data_16357 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16357 _Entry.Title ; Solution NMR Structure of a dimeric protein of unknown function from Methanobacterium thermoautotrophicum, Northeast Structural Genomics Consortium Target TR5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-17 _Entry.Accession_date 2009-06-17 _Entry.Last_release_date 2009-07-07 _Entry.Original_release_date 2009-07-07 _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 G.V.T. Swapna . . . 16357 2 K. Gunsalus . . . 16357 3 Y. Huang . . . 16357 4 R. Xiao . . . 16357 5 J. Everett . K. . 16357 6 T. Acton . B. . 16357 7 G. Montelione . T. . 16357 8 NESG NESG . . . 16357 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 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' NESG 16357 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Methanothermobacter thermautotrophicus' 'Methanothermobacter thermautotrophicus' 16357 NESG . 16357 'Northeast Structural Genomics Consortium' . 16357 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' 16357 O26567_METTH O26567_METTH 16357 'Protein NMR' 'Protein NMR' 16357 'Protein Structure Initiative' 'Protein Structure Initiative' 16357 PSI-2 PSI-2 16357 'Structural Genomics' . 16357 'Target TR5' 'Target TR5' 16357 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16357 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 16357 '15N chemical shifts' 100 16357 '1H chemical shifts' 750 16357 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-07-07 2009-06-17 original author . 16357 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KKE 'BMRB Entry Tracking System' 16357 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16357 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of a dimeric protein of unknown function from Methanobacterium thermoautotrophicum, Northeast Structural Genomics Consortium Target TR5' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Swapna S. . . 16357 1 2 X. Gunsalus X. . . 16357 1 3 L. Huang L. . . 16357 1 4 G. Xiao G. . . 16357 1 5 K. Everett K. . . 16357 1 6 A. Acton A. B. . 16357 1 7 G. Montelione G. T. . 16357 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Methanothermobacter thermautotrophicus' 16357 1 NESG 16357 1 O26567_METTH 16357 1 'Protein Structure Initiative' 16357 1 PSI-2 16357 1 TR5 16357 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16357 _Assembly.ID 1 _Assembly.Name TR5 _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 TR5 1 $TR5 A . yes native no no . . . 16357 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TR5 _Entity.Sf_category entity _Entity.Sf_framecode TR5 _Entity.Entry_ID 16357 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TR5 _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 ; MVGRRPGGGLKDTKPVVVRL YPDEIEALKSRVPANTSMSA YIRRIILNHLEDEMVGRRPG GGLKDTKPVVVRLYPDEIEA LKSRVPANTSMSAYIRRIIL NHLEDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,M _Entity.Polymer_author_seq_details 'Chain B of the dimer has been numbered from 201-253 with the first residue M at 201.' _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11927.964 _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 2KKE . "Solution Nmr Structure Of A Dimeric Protein Of Unknown Function From Methanobacterium Thermoautotrophicum, Northeast Structural" . . . . . 50.00 53 100.00 100.00 7.84e-28 . . . . 16357 1 2 no DBJ BAM69652 . "conserved hypothetical protein [Methanothermobacter sp. CaT2]" . . . . . 50.00 53 98.11 100.00 2.90e-27 . . . . 16357 1 3 no GB AAB84973 . "unknown [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 50.00 53 98.11 100.00 2.90e-27 . . . . 16357 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 1 MET . 16357 1 2 2 VAL . 16357 1 3 3 GLY . 16357 1 4 4 ARG . 16357 1 5 5 ARG . 16357 1 6 6 PRO . 16357 1 7 7 GLY . 16357 1 8 8 GLY . 16357 1 9 9 GLY . 16357 1 10 10 LEU . 16357 1 11 11 LYS . 16357 1 12 12 ASP . 16357 1 13 13 THR . 16357 1 14 14 LYS . 16357 1 15 15 PRO . 16357 1 16 16 VAL . 16357 1 17 17 VAL . 16357 1 18 18 VAL . 16357 1 19 19 ARG . 16357 1 20 20 LEU . 16357 1 21 21 TYR . 16357 1 22 22 PRO . 16357 1 23 23 ASP . 16357 1 24 24 GLU . 16357 1 25 25 ILE . 16357 1 26 26 GLU . 16357 1 27 27 ALA . 16357 1 28 28 LEU . 16357 1 29 29 LYS . 16357 1 30 30 SER . 16357 1 31 31 ARG . 16357 1 32 32 VAL . 16357 1 33 33 PRO . 16357 1 34 34 ALA . 16357 1 35 35 ASN . 16357 1 36 36 THR . 16357 1 37 37 SER . 16357 1 38 38 MET . 16357 1 39 39 SER . 16357 1 40 40 ALA . 16357 1 41 41 TYR . 16357 1 42 42 ILE . 16357 1 43 43 ARG . 16357 1 44 44 ARG . 16357 1 45 45 ILE . 16357 1 46 46 ILE . 16357 1 47 47 LEU . 16357 1 48 48 ASN . 16357 1 49 49 HIS . 16357 1 50 50 LEU . 16357 1 51 51 GLU . 16357 1 52 52 ASP . 16357 1 53 53 GLU . 16357 1 54 201 MET . 16357 1 55 202 VAL . 16357 1 56 203 GLY . 16357 1 57 204 ARG . 16357 1 58 205 ARG . 16357 1 59 206 PRO . 16357 1 60 207 GLY . 16357 1 61 208 GLY . 16357 1 62 209 GLY . 16357 1 63 210 LEU . 16357 1 64 211 LYS . 16357 1 65 212 ASP . 16357 1 66 213 THR . 16357 1 67 214 LYS . 16357 1 68 215 PRO . 16357 1 69 216 VAL . 16357 1 70 217 VAL . 16357 1 71 218 VAL . 16357 1 72 219 ARG . 16357 1 73 220 LEU . 16357 1 74 221 TYR . 16357 1 75 222 PRO . 16357 1 76 223 ASP . 16357 1 77 224 GLU . 16357 1 78 225 ILE . 16357 1 79 226 GLU . 16357 1 80 227 ALA . 16357 1 81 228 LEU . 16357 1 82 229 LYS . 16357 1 83 230 SER . 16357 1 84 231 ARG . 16357 1 85 232 VAL . 16357 1 86 233 PRO . 16357 1 87 234 ALA . 16357 1 88 235 ASN . 16357 1 89 236 THR . 16357 1 90 237 SER . 16357 1 91 238 MET . 16357 1 92 239 SER . 16357 1 93 240 ALA . 16357 1 94 241 TYR . 16357 1 95 242 ILE . 16357 1 96 243 ARG . 16357 1 97 244 ARG . 16357 1 98 245 ILE . 16357 1 99 246 ILE . 16357 1 100 247 LEU . 16357 1 101 248 ASN . 16357 1 102 249 HIS . 16357 1 103 250 LEU . 16357 1 104 251 GLU . 16357 1 105 252 ASP . 16357 1 106 253 GLU . 16357 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16357 1 . VAL 2 2 16357 1 . GLY 3 3 16357 1 . ARG 4 4 16357 1 . ARG 5 5 16357 1 . PRO 6 6 16357 1 . GLY 7 7 16357 1 . GLY 8 8 16357 1 . GLY 9 9 16357 1 . LEU 10 10 16357 1 . LYS 11 11 16357 1 . ASP 12 12 16357 1 . THR 13 13 16357 1 . LYS 14 14 16357 1 . PRO 15 15 16357 1 . VAL 16 16 16357 1 . VAL 17 17 16357 1 . VAL 18 18 16357 1 . ARG 19 19 16357 1 . LEU 20 20 16357 1 . TYR 21 21 16357 1 . PRO 22 22 16357 1 . ASP 23 23 16357 1 . GLU 24 24 16357 1 . ILE 25 25 16357 1 . GLU 26 26 16357 1 . ALA 27 27 16357 1 . LEU 28 28 16357 1 . LYS 29 29 16357 1 . SER 30 30 16357 1 . ARG 31 31 16357 1 . VAL 32 32 16357 1 . PRO 33 33 16357 1 . ALA 34 34 16357 1 . ASN 35 35 16357 1 . THR 36 36 16357 1 . SER 37 37 16357 1 . MET 38 38 16357 1 . SER 39 39 16357 1 . ALA 40 40 16357 1 . TYR 41 41 16357 1 . ILE 42 42 16357 1 . ARG 43 43 16357 1 . ARG 44 44 16357 1 . ILE 45 45 16357 1 . ILE 46 46 16357 1 . LEU 47 47 16357 1 . ASN 48 48 16357 1 . HIS 49 49 16357 1 . LEU 50 50 16357 1 . GLU 51 51 16357 1 . ASP 52 52 16357 1 . GLU 53 53 16357 1 . MET 54 54 16357 1 . VAL 55 55 16357 1 . GLY 56 56 16357 1 . ARG 57 57 16357 1 . ARG 58 58 16357 1 . PRO 59 59 16357 1 . GLY 60 60 16357 1 . GLY 61 61 16357 1 . GLY 62 62 16357 1 . LEU 63 63 16357 1 . LYS 64 64 16357 1 . ASP 65 65 16357 1 . THR 66 66 16357 1 . LYS 67 67 16357 1 . PRO 68 68 16357 1 . VAL 69 69 16357 1 . VAL 70 70 16357 1 . VAL 71 71 16357 1 . ARG 72 72 16357 1 . LEU 73 73 16357 1 . TYR 74 74 16357 1 . PRO 75 75 16357 1 . ASP 76 76 16357 1 . GLU 77 77 16357 1 . ILE 78 78 16357 1 . GLU 79 79 16357 1 . ALA 80 80 16357 1 . LEU 81 81 16357 1 . LYS 82 82 16357 1 . SER 83 83 16357 1 . ARG 84 84 16357 1 . VAL 85 85 16357 1 . PRO 86 86 16357 1 . ALA 87 87 16357 1 . ASN 88 88 16357 1 . THR 89 89 16357 1 . SER 90 90 16357 1 . MET 91 91 16357 1 . SER 92 92 16357 1 . ALA 93 93 16357 1 . TYR 94 94 16357 1 . ILE 95 95 16357 1 . ARG 96 96 16357 1 . ARG 97 97 16357 1 . ILE 98 98 16357 1 . ILE 99 99 16357 1 . LEU 100 100 16357 1 . ASN 101 101 16357 1 . HIS 102 102 16357 1 . LEU 103 103 16357 1 . GLU 104 104 16357 1 . ASP 105 105 16357 1 . GLU 106 106 16357 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 16357 _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 $TR5 . 145262 organism . 'Methanothermobacter thermoautotrophicum' 'Methanothermobacter thermoautotrophicum' . . Archaea . Methanothermobacter thermoautotrophicum . . . . . . . . . . . . . . . . MTH467 . . . . 16357 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 16357 _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 $TR5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . pET15b . . BL21 . . . . . . 16357 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16357 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM TR5,25 mM Na2HPO4, 300 mM NaCl, 5% D2O, 1 x protease inhibitor (Roch). The His teg was removed by thrombin.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TR5-1 '[U-100% 13C; U-100% 15N]' . . 1 $TR5 . . 0.4 . . mM . . . . 16357 1 2 Na2HPO4 'natural abundance' . . . . . . 25 . . mM . . . . 16357 1 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 16357 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16357 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16357 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16357 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.95 mM TR5,25 mM Na2HPO4, 300 mM NaCl, 5% D2O, 1 x protease inhibitor (Roch). The His teg was removed by thrombin.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TR5-2 '[U-10% 13C; U-100% 15N]' . . 1 $TR5 . . 0.95 . . mM . . . . 16357 2 2 Na2HPO4 'natural abundance' . . . . . . 25 . . mM . . . . 16357 2 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 16357 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16357 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16357 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16357 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.95 mM TR5,25 mM Na2HPO4, 300 mM NaCl, 5% D2O, 1 x protease inhibitor (Roch). The His teg was removed by thrombin.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TR5-3 '[U-10% 13C; U-100% 15N] + unlabeled TR5 protein' . . 1 $TR5 . . 0.4 . . mM . . . . 16357 3 2 Na2HPO4 'natural abundance' . . . . . . 25 . . mM . . . . 16357 3 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 16357 3 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16357 3 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16357 3 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 16357 _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' 0.300 . M 16357 1 pH 6.5 . pH 16357 1 pressure 1 . atm 16357 1 temperature 303 . K 16357 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16357 _Sample_condition_list.ID 2 _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' 0.300 . M 16357 2 pH 6.5 . pH 16357 2 pressure 1 . atm 16357 2 temperature 303 . K 16357 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 16357 _Sample_condition_list.ID 3 _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' 0.300 . M 16357 3 pH 6.5 . pH 16357 3 pressure 1 . atm 16357 3 temperature 303 . K 16357 3 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16357 _Software.ID 1 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16357 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16357 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16357 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16357 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16357 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16357 _Software.ID 3 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16357 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16357 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 16357 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16357 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16357 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16357 1 2 spectrometer_2 Varian Unity . 500 . . . 16357 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 16357 _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_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16357 1 10 '3D- X-filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 16357 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 16357 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 16357 1 13 '2D HNOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 16357 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1 and sample_2' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_2D_NHhsqc.fid 'Time-domain (raw spectral data)' . . . . . . . . 16357 1 TR5.018_2D_NHhsqc.fid 'Time-domain (raw spectral data)' . . . . . . . . 16357 1 stop_ save_ save_2D_1H-13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-13C_HSQC _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1 and sample_2' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_2D_CHhsqc_aliphatic.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 2 TR5.017_2D_CHhsqc_aromatic.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 2 TR5.018_2D_CHhsqc.fid 'Time-domain (raw spectral data)' . . . . . . . 'sample_2 ; Stereospecific assignments' 16357 2 stop_ save_ save_3D_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_CBCAcoNH.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 3 stop_ save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_HNCACB.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 4 stop_ save_ save_3D_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHA(CO)NH _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_HBHcoNH.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 5 stop_ save_ save_3D_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-TOCSY _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_HCCH-TOCSY.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 6 stop_ save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_HNCO.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 7 stop_ save_ save_3D_1H-13C_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H-13C_NOESY _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_13C-NOESY.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 8 stop_ save_ save_3D_1H-15N_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H-15N_NOESY _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_1' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_15N-NOESY.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 9 stop_ save_ save_3D-_X-filtered_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-_X-filtered_NOESY _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D- X-filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_3' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_3D_X-filtered_NOESY.fid 'Time-domain (raw spectral data)' . . . . . . . sample_1 16357 10 stop_ save_ save_2D_HNOE _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_HNOE _NMR_spec_expt.Entry_ID 16357 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D HNOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Data acquired using sample_2' loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID TR5.017_2D_HNOE=n.fid 'Time-domain (raw spectral data)' . . . . . . . sample_2 16357 11 TR5.017_2D_HNOE=y.fid 'Time-domain (raw spectral data)' . . . . . . . sample_2 16357 11 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 16357 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal DSS was used to reference proton spectrum' 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 0.0 external indirect 0.251449530 . . . 1 $citations . . 1 $citations 16357 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0000 . . . 1 $citations . . 1 $citations 16357 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . 1 $citations . . 1 $citations 16357 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 16357 _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 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 16357 1 2 '2D 1H-13C HSQC' . . . 16357 1 3 '3D CBCA(CO)NH' . . . 16357 1 4 '3D HNCACB' . . . 16357 1 5 '3D HBHA(CO)NH' . . . 16357 1 6 '3D HCCH-TOCSY' . . . 16357 1 7 '3D HNCO' . . . 16357 1 8 '3D 1H-13C NOESY' . . . 16357 1 9 '3D 1H-15N NOESY' . . . 16357 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 1 $AutoAssign . . 16357 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 1 1 MET HA H 1 4.562 0.05 . 1 . . . . 1 Met HA . 16357 1 2 . 1 1 1 1 MET HB2 H 1 2.060 0.05 . 2 . . . . 1 Met HB2 . 16357 1 3 . 1 1 1 1 MET HB3 H 1 2.147 0.05 . 2 . . . . 1 Met HB3 . 16357 1 4 . 1 1 1 1 MET HE1 H 1 2.166 0.05 . 1 . . . . 1 Met HE . 16357 1 5 . 1 1 1 1 MET HE2 H 1 2.166 0.05 . 1 . . . . 1 Met HE . 16357 1 6 . 1 1 1 1 MET HE3 H 1 2.166 0.05 . 1 . . . . 1 Met HE . 16357 1 7 . 1 1 1 1 MET HG2 H 1 2.53 0.05 . 2 . . . . 1 Met HG2 . 16357 1 8 . 1 1 1 1 MET HG3 H 1 2.61 0.05 . 2 . . . . 1 Met HG3 . 16357 1 9 . 1 1 1 1 MET C C 13 176.534 0.3 . 1 . . . . 1 Met C . 16357 1 10 . 1 1 1 1 MET CA C 13 55.75 0.3 . 1 . . . . 1 Met CA . 16357 1 11 . 1 1 1 1 MET CB C 13 33.026 0.3 . 1 . . . . 1 Met CB . 16357 1 12 . 1 1 1 1 MET CE C 13 17.265 0.3 . 1 . . . . 1 Met CE . 16357 1 13 . 1 1 1 1 MET CG C 13 32.138 0.3 . 1 . . . . 1 Met CG . 16357 1 14 . 1 1 2 2 VAL H H 1 8.215 0.05 . 1 . . . . 2 Val H . 16357 1 15 . 1 1 2 2 VAL HA H 1 4.189 0.05 . 1 . . . . 2 Val HA . 16357 1 16 . 1 1 2 2 VAL HB H 1 2.16 0.05 . 1 . . . . 2 Val HB . 16357 1 17 . 1 1 2 2 VAL HG11 H 1 1.037 0.05 . 2 . . . . 2 Val HG1 . 16357 1 18 . 1 1 2 2 VAL HG12 H 1 1.037 0.05 . 2 . . . . 2 Val HG1 . 16357 1 19 . 1 1 2 2 VAL HG13 H 1 1.037 0.05 . 2 . . . . 2 Val HG1 . 16357 1 20 . 1 1 2 2 VAL HG21 H 1 1.037 0.05 . 2 . . . . 2 Val HG2 . 16357 1 21 . 1 1 2 2 VAL HG22 H 1 1.037 0.05 . 2 . . . . 2 Val HG2 . 16357 1 22 . 1 1 2 2 VAL HG23 H 1 1.037 0.05 . 2 . . . . 2 Val HG2 . 16357 1 23 . 1 1 2 2 VAL C C 13 177.021 0.3 . 1 . . . . 2 Val C . 16357 1 24 . 1 1 2 2 VAL CA C 13 62.709 0.3 . 1 . . . . 2 Val CA . 16357 1 25 . 1 1 2 2 VAL CB C 13 32.822 0.3 . 1 . . . . 2 Val CB . 16357 1 26 . 1 1 2 2 VAL CG1 C 13 21.0 0.3 . 2 . . . . 2 Val CG1 . 16357 1 27 . 1 1 2 2 VAL CG2 C 13 21.0 0.3 . 2 . . . . 2 Val CG2 . 16357 1 28 . 1 1 2 2 VAL N N 15 121.358 0.3 . 1 . . . . 2 Val N . 16357 1 29 . 1 1 3 3 GLY H H 1 8.55 0.05 . 1 . . . . 3 Gly H . 16357 1 30 . 1 1 3 3 GLY HA2 H 1 4.051 0.05 . 2 . . . . 3 Gly HA2 . 16357 1 31 . 1 1 3 3 GLY HA3 H 1 4.05 0.05 . 2 . . . . 3 Gly HA3 . 16357 1 32 . 1 1 3 3 GLY CA C 13 45.39 0.3 . 1 . . . . 3 Gly CA . 16357 1 33 . 1 1 3 3 GLY N N 15 112.524 0.3 . 1 . . . . 3 Gly N . 16357 1 34 . 1 1 4 4 ARG H H 1 8.159 0.05 . 1 . . . . 4 Arg H . 16357 1 35 . 1 1 4 4 ARG HA H 1 4.44 0.05 . 1 . . . . 4 Arg HA . 16357 1 36 . 1 1 4 4 ARG HB2 H 1 1.900 0.05 . 2 . . . . 4 Arg HB2 . 16357 1 37 . 1 1 4 4 ARG HB3 H 1 1.838 0.05 . 2 . . . . 4 Arg HB3 . 16357 1 38 . 1 1 4 4 ARG HD2 H 1 3.224 0.05 . 2 . . . . 4 Arg HD2 . 16357 1 39 . 1 1 4 4 ARG HD3 H 1 3.224 0.05 . 2 . . . . 4 Arg HD3 . 16357 1 40 . 1 1 4 4 ARG HG2 H 1 1.665 0.05 . 2 . . . . 4 Arg HG2 . 16357 1 41 . 1 1 4 4 ARG HG3 H 1 1.665 0.05 . 2 . . . . 4 Arg HG3 . 16357 1 42 . 1 1 4 4 ARG C C 13 176.599 0.3 . 1 . . . . 4 Arg C . 16357 1 43 . 1 1 4 4 ARG CA C 13 55.82 0.3 . 1 . . . . 4 Arg CA . 16357 1 44 . 1 1 4 4 ARG CB C 13 31.179 0.3 . 1 . . . . 4 Arg CB . 16357 1 45 . 1 1 4 4 ARG CD C 13 43.419 0.3 . 1 . . . . 4 Arg CD . 16357 1 46 . 1 1 4 4 ARG CG C 13 27.15 0.3 . 1 . . . . 4 Arg CG . 16357 1 47 . 1 1 4 4 ARG N N 15 120.490 0.3 . 1 . . . . 4 Arg N . 16357 1 48 . 1 1 5 5 ARG H H 1 8.522 0.05 . 1 . . . . 5 Arg H . 16357 1 49 . 1 1 5 5 ARG HA H 1 4.594 0.05 . 1 . . . . 5 Arg HA . 16357 1 50 . 1 1 5 5 ARG HB2 H 1 2.007 0.05 . 2 . . . . 5 Arg HB2 . 16357 1 51 . 1 1 5 5 ARG HB3 H 1 2.081 0.05 . 2 . . . . 5 Arg HB3 . 16357 1 52 . 1 1 5 5 ARG HD2 H 1 3.354 0.05 . 2 . . . . 5 Arg HD2 . 16357 1 53 . 1 1 5 5 ARG CB C 13 29.728 0.3 . 1 . . . . 5 Arg CB . 16357 1 54 . 1 1 5 5 ARG CD C 13 43.676 0.3 . 1 . . . . 5 Arg CD . 16357 1 55 . 1 1 5 5 ARG CG C 13 26.489 0.3 . 1 . . . . 5 Arg CG . 16357 1 56 . 1 1 5 5 ARG N N 15 123.728 0.3 . 1 . . . . 5 Arg N . 16357 1 57 . 1 1 6 6 PRO HA H 1 4.550 0.05 . 1 . . . . 6 Pro HA . 16357 1 58 . 1 1 6 6 PRO HB2 H 1 2.054 0.05 . 2 . . . . 6 Pro HB2 . 16357 1 59 . 1 1 6 6 PRO HB3 H 1 2.408 0.05 . 2 . . . . 6 Pro HB3 . 16357 1 60 . 1 1 6 6 PRO HD2 H 1 4.330 0.05 . 2 . . . . 6 Pro HD2 . 16357 1 61 . 1 1 6 6 PRO HD3 H 1 4.204 0.05 . 2 . . . . 6 Pro HD3 . 16357 1 62 . 1 1 6 6 PRO HG2 H 1 2.05 0.05 . 2 . . . . 6 Pro HG2 . 16357 1 63 . 1 1 6 6 PRO HG3 H 1 2.05 0.05 . 2 . . . . 6 Pro HG3 . 16357 1 64 . 1 1 6 6 PRO C C 13 178.098 0.3 . 1 . . . . 6 Pro C . 16357 1 65 . 1 1 6 6 PRO CA C 13 63.632 0.3 . 1 . . . . 6 Pro CA . 16357 1 66 . 1 1 6 6 PRO CB C 13 32.259 0.3 . 1 . . . . 6 Pro CB . 16357 1 67 . 1 1 6 6 PRO CD C 13 50.879 0.3 . 1 . . . . 6 Pro CD . 16357 1 68 . 1 1 6 6 PRO CG C 13 27.751 0.3 . 1 . . . . 6 Pro CG . 16357 1 69 . 1 1 7 7 GLY H H 1 8.615 0.05 . 1 . . . . 7 Gly H . 16357 1 70 . 1 1 7 7 GLY HA2 H 1 4.09 0.05 . 2 . . . . 7 Gly HA2 . 16357 1 71 . 1 1 7 7 GLY HA3 H 1 4.09 0.05 . 2 . . . . 7 Gly HA3 . 16357 1 72 . 1 1 7 7 GLY C C 13 175.353 0.3 . 1 . . . . 7 Gly C . 16357 1 73 . 1 1 7 7 GLY CA C 13 45.26 0.3 . 1 . . . . 7 Gly CA . 16357 1 74 . 1 1 7 7 GLY N N 15 109.847 0.3 . 1 . . . . 7 Gly N . 16357 1 75 . 1 1 8 8 GLY H H 1 8.382 0.05 . 1 . . . . 8 Gly H . 16357 1 76 . 1 1 8 8 GLY HA2 H 1 4.07 0.05 . 2 . . . . 8 Gly HA2 . 16357 1 77 . 1 1 8 8 GLY HA3 H 1 4.13 0.05 . 2 . . . . 8 Gly HA3 . 16357 1 78 . 1 1 8 8 GLY C C 13 175.236 0.3 . 1 . . . . 8 Gly C . 16357 1 79 . 1 1 8 8 GLY CA C 13 45.46 0.3 . 1 . . . . 8 Gly CA . 16357 1 80 . 1 1 8 8 GLY N N 15 108.964 0.3 . 1 . . . . 8 Gly N . 16357 1 81 . 1 1 9 9 GLY H H 1 8.533 0.05 . 1 . . . . 9 Gly H . 16357 1 82 . 1 1 9 9 GLY HA2 H 1 4.03 0.05 . 2 . . . . 9 Gly HA2 . 16357 1 83 . 1 1 9 9 GLY HA3 H 1 4.03 0.05 . 2 . . . . 9 Gly HA3 . 16357 1 84 . 1 1 9 9 GLY CA C 13 45.5 0.3 . 1 . . . . 9 Gly CA . 16357 1 85 . 1 1 9 9 GLY N N 15 109.175 0.3 . 1 . . . . 9 Gly N . 16357 1 86 . 1 1 10 10 LEU H H 1 8.328 0.05 . 1 . . . . 10 Leu H . 16357 1 87 . 1 1 10 10 LEU HA H 1 4.312 0.05 . 1 . . . . 10 Leu HA . 16357 1 88 . 1 1 10 10 LEU HB2 H 1 1.762 0.05 . 2 . . . . 10 Leu HB2 . 16357 1 89 . 1 1 10 10 LEU HB3 H 1 1.647 0.05 . 2 . . . . 10 Leu HB3 . 16357 1 90 . 1 1 10 10 LEU HD11 H 1 0.98 0.05 . 2 . . . . 10 Leu HD1 . 16357 1 91 . 1 1 10 10 LEU HD12 H 1 0.98 0.05 . 2 . . . . 10 Leu HD1 . 16357 1 92 . 1 1 10 10 LEU HD13 H 1 0.98 0.05 . 2 . . . . 10 Leu HD1 . 16357 1 93 . 1 1 10 10 LEU HD21 H 1 0.907 0.05 . 2 . . . . 10 Leu HD2 . 16357 1 94 . 1 1 10 10 LEU HD22 H 1 0.907 0.05 . 2 . . . . 10 Leu HD2 . 16357 1 95 . 1 1 10 10 LEU HD23 H 1 0.907 0.05 . 2 . . . . 10 Leu HD2 . 16357 1 96 . 1 1 10 10 LEU HG H 1 1.712 0.05 . 1 . . . . 10 Leu HG . 16357 1 97 . 1 1 10 10 LEU CA C 13 56.244 0.3 . 1 . . . . 10 Leu CA . 16357 1 98 . 1 1 10 10 LEU CB C 13 42.353 0.3 . 1 . . . . 10 Leu CB . 16357 1 99 . 1 1 10 10 LEU CD1 C 13 25.09 0.3 . 2 . . . . 10 Leu CD1 . 16357 1 100 . 1 1 10 10 LEU CD2 C 13 23.3 0.3 . 2 . . . . 10 Leu CD2 . 16357 1 101 . 1 1 10 10 LEU CG C 13 27.117 0.3 . 1 . . . . 10 Leu CG . 16357 1 102 . 1 1 10 10 LEU N N 15 121.467 0.3 . 1 . . . . 10 Leu N . 16357 1 103 . 1 1 11 11 LYS H H 1 8.354 0.05 . 1 . . . . 11 Lys H . 16357 1 104 . 1 1 11 11 LYS HA H 1 4.415 0.05 . 1 . . . . 11 Lys HA . 16357 1 105 . 1 1 11 11 LYS HB2 H 1 1.93 0.05 . 2 . . . . 11 Lys HB2 . 16357 1 106 . 1 1 11 11 LYS HB3 H 1 1.99 0.05 . 2 . . . . 11 Lys HB3 . 16357 1 107 . 1 1 11 11 LYS HD2 H 1 1.778 0.05 . 2 . . . . 11 Lys HD2 . 16357 1 108 . 1 1 11 11 LYS HD3 H 1 1.778 0.05 . 2 . . . . 11 Lys HD3 . 16357 1 109 . 1 1 11 11 LYS HE2 H 1 3.08 0.05 . 2 . . . . 11 Lys HE2 . 16357 1 110 . 1 1 11 11 LYS HE3 H 1 3.080 0.05 . 2 . . . . 11 Lys HE3 . 16357 1 111 . 1 1 11 11 LYS HG2 H 1 1.550 0.05 . 2 . . . . 11 Lys HG2 . 16357 1 112 . 1 1 11 11 LYS HG3 H 1 1.550 0.05 . 2 . . . . 11 Lys HG3 . 16357 1 113 . 1 1 11 11 LYS CA C 13 57.220 0.3 . 1 . . . . 11 Lys CA . 16357 1 114 . 1 1 11 11 LYS CB C 13 32.929 0.3 . 1 . . . . 11 Lys CB . 16357 1 115 . 1 1 11 11 LYS CD C 13 29.350 0.3 . 1 . . . . 11 Lys CD . 16357 1 116 . 1 1 11 11 LYS CE C 13 42.421 0.3 . 1 . . . . 11 Lys CE . 16357 1 117 . 1 1 11 11 LYS CG C 13 24.870 0.3 . 1 . . . . 11 Lys CG . 16357 1 118 . 1 1 11 11 LYS N N 15 119.917 0.3 . 1 . . . . 11 Lys N . 16357 1 119 . 1 1 12 12 ASP H H 1 8.187 0.05 . 1 . . . . 12 Asp H . 16357 1 120 . 1 1 12 12 ASP HA H 1 4.85 0.05 . 1 . . . . 12 Asp HA . 16357 1 121 . 1 1 12 12 ASP HB2 H 1 2.86 0.05 . 2 . . . . 12 Asp HB2 . 16357 1 122 . 1 1 12 12 ASP HB3 H 1 3.01 0.05 . 2 . . . . 12 Asp HB3 . 16357 1 123 . 1 1 12 12 ASP C C 13 176.436 0.3 . 1 . . . . 12 Asp C . 16357 1 124 . 1 1 12 12 ASP CA C 13 54.4 0.3 . 1 . . . . 12 Asp CA . 16357 1 125 . 1 1 12 12 ASP CB C 13 41.82 0.3 . 1 . . . . 12 Asp CB . 16357 1 126 . 1 1 12 12 ASP N N 15 118.931 0.3 . 1 . . . . 12 Asp N . 16357 1 127 . 1 1 13 13 THR H H 1 7.615 0.05 . 1 . . . . 13 Thr H . 16357 1 128 . 1 1 13 13 THR HA H 1 4.256 0.05 . 1 . . . . 13 Thr HA . 16357 1 129 . 1 1 13 13 THR HB H 1 3.681 0.05 . 1 . . . . 13 Thr HB . 16357 1 130 . 1 1 13 13 THR HG21 H 1 0.317 0.05 . 1 . . . . 13 Thr HG2 . 16357 1 131 . 1 1 13 13 THR HG22 H 1 0.317 0.05 . 1 . . . . 13 Thr HG2 . 16357 1 132 . 1 1 13 13 THR HG23 H 1 0.317 0.05 . 1 . . . . 13 Thr HG2 . 16357 1 133 . 1 1 13 13 THR CA C 13 60.358 0.3 . 1 . . . . 13 Thr CA . 16357 1 134 . 1 1 13 13 THR CB C 13 72.453 0.3 . 1 . . . . 13 Thr CB . 16357 1 135 . 1 1 13 13 THR CG2 C 13 20.656 0.3 . 1 . . . . 13 Thr CG2 . 16357 1 136 . 1 1 13 13 THR N N 15 107.789 0.3 . 1 . . . . 13 Thr N . 16357 1 137 . 1 1 14 14 LYS H H 1 9.064 0.05 . 1 . . . . 14 Lys H . 16357 1 138 . 1 1 14 14 LYS HA H 1 4.952 0.05 . 1 . . . . 14 Lys HA . 16357 1 139 . 1 1 14 14 LYS HB2 H 1 1.909 0.05 . 2 . . . . 14 Lys HB2 . 16357 1 140 . 1 1 14 14 LYS HB3 H 1 1.657 0.05 . 2 . . . . 14 Lys HB3 . 16357 1 141 . 1 1 14 14 LYS HD2 H 1 1.780 0.05 . 2 . . . . 14 Lys HD2 . 16357 1 142 . 1 1 14 14 LYS HD3 H 1 1.775 0.05 . 2 . . . . 14 Lys HD3 . 16357 1 143 . 1 1 14 14 LYS HE2 H 1 3.119 0.05 . 2 . . . . 14 Lys HE2 . 16357 1 144 . 1 1 14 14 LYS HE3 H 1 3.059 0.05 . 2 . . . . 14 Lys HE3 . 16357 1 145 . 1 1 14 14 LYS HG2 H 1 1.563 0.05 . 2 . . . . 14 Lys HG2 . 16357 1 146 . 1 1 14 14 LYS HG3 H 1 1.465 0.05 . 2 . . . . 14 Lys HG3 . 16357 1 147 . 1 1 14 14 LYS CA C 13 52.486 0.3 . 1 . . . . 14 Lys CA . 16357 1 148 . 1 1 14 14 LYS CB C 13 34.372 0.3 . 1 . . . . 14 Lys CB . 16357 1 149 . 1 1 14 14 LYS CD C 13 29.114 0.3 . 1 . . . . 14 Lys CD . 16357 1 150 . 1 1 14 14 LYS CE C 13 42.416 0.3 . 1 . . . . 14 Lys CE . 16357 1 151 . 1 1 14 14 LYS CG C 13 24.732 0.3 . 1 . . . . 14 Lys CG . 16357 1 152 . 1 1 14 14 LYS N N 15 119.891 0.3 . 1 . . . . 14 Lys N . 16357 1 153 . 1 1 15 15 PRO HB2 H 1 1.867 0.05 . 2 . . . . 15 Pro HB2 . 16357 1 154 . 1 1 15 15 PRO HB3 H 1 1.932 0.05 . 2 . . . . 15 Pro HB3 . 16357 1 155 . 1 1 15 15 PRO HD2 H 1 3.747 0.05 . 2 . . . . 15 Pro HD2 . 16357 1 156 . 1 1 15 15 PRO HD3 H 1 3.861 0.05 . 2 . . . . 15 Pro HD3 . 16357 1 157 . 1 1 15 15 PRO HG2 H 1 2.325 0.05 . 2 . . . . 15 Pro HG2 . 16357 1 158 . 1 1 15 15 PRO HG3 H 1 2.130 0.05 . 2 . . . . 15 Pro HG3 . 16357 1 159 . 1 1 15 15 PRO C C 13 177.155 0.3 . 1 . . . . 15 Pro C . 16357 1 160 . 1 1 15 15 PRO CA C 13 62.351 0.3 . 1 . . . . 15 Pro CA . 16357 1 161 . 1 1 15 15 PRO CB C 13 33.036 0.3 . 1 . . . . 15 Pro CB . 16357 1 162 . 1 1 15 15 PRO CD C 13 50.446 0.3 . 1 . . . . 15 Pro CD . 16357 1 163 . 1 1 15 15 PRO CG C 13 26.933 0.3 . 1 . . . . 15 Pro CG . 16357 1 164 . 1 1 16 16 VAL H H 1 9.112 0.05 . 1 . . . . 16 Val H . 16357 1 165 . 1 1 16 16 VAL HA H 1 4.29 0.05 . 1 . . . . 16 Val HA . 16357 1 166 . 1 1 16 16 VAL HB H 1 2.054 0.05 . 1 . . . . 16 Val HB . 16357 1 167 . 1 1 16 16 VAL HG11 H 1 0.902 0.05 . 2 . . . . 16 Val HG1 . 16357 1 168 . 1 1 16 16 VAL HG12 H 1 0.902 0.05 . 2 . . . . 16 Val HG1 . 16357 1 169 . 1 1 16 16 VAL HG13 H 1 0.902 0.05 . 2 . . . . 16 Val HG1 . 16357 1 170 . 1 1 16 16 VAL HG21 H 1 0.865 0.05 . 2 . . . . 16 Val HG2 . 16357 1 171 . 1 1 16 16 VAL HG22 H 1 0.865 0.05 . 2 . . . . 16 Val HG2 . 16357 1 172 . 1 1 16 16 VAL HG23 H 1 0.865 0.05 . 2 . . . . 16 Val HG2 . 16357 1 173 . 1 1 16 16 VAL C C 13 174.696 0.3 . 1 . . . . 16 Val C . 16357 1 174 . 1 1 16 16 VAL CA C 13 61.845 0.3 . 1 . . . . 16 Val CA . 16357 1 175 . 1 1 16 16 VAL CB C 13 34.265 0.3 . 1 . . . . 16 Val CB . 16357 1 176 . 1 1 16 16 VAL CG1 C 13 21.088 0.3 . 2 . . . . 16 Val CG1 . 16357 1 177 . 1 1 16 16 VAL CG2 C 13 21.156 0.3 . 2 . . . . 16 Val CG2 . 16357 1 178 . 1 1 16 16 VAL N N 15 124.670 0.3 . 1 . . . . 16 Val N . 16357 1 179 . 1 1 17 17 VAL H H 1 8.338 0.05 . 1 . . . . 17 Val H . 16357 1 180 . 1 1 17 17 VAL HA H 1 4.496 0.05 . 1 . . . . 17 Val HA . 16357 1 181 . 1 1 17 17 VAL HB H 1 1.994 0.05 . 1 . . . . 17 Val HB . 16357 1 182 . 1 1 17 17 VAL HG11 H 1 0.830 0.05 . 2 . . . . 17 Val HG1 . 16357 1 183 . 1 1 17 17 VAL HG12 H 1 0.830 0.05 . 2 . . . . 17 Val HG1 . 16357 1 184 . 1 1 17 17 VAL HG13 H 1 0.830 0.05 . 2 . . . . 17 Val HG1 . 16357 1 185 . 1 1 17 17 VAL HG21 H 1 0.990 0.05 . 2 . . . . 17 Val HG2 . 16357 1 186 . 1 1 17 17 VAL HG22 H 1 0.990 0.05 . 2 . . . . 17 Val HG2 . 16357 1 187 . 1 1 17 17 VAL HG23 H 1 0.990 0.05 . 2 . . . . 17 Val HG2 . 16357 1 188 . 1 1 17 17 VAL C C 13 175.975 0.3 . 1 . . . . 17 Val C . 16357 1 189 . 1 1 17 17 VAL CA C 13 62.616 0.3 . 1 . . . . 17 Val CA . 16357 1 190 . 1 1 17 17 VAL CB C 13 32.841 0.3 . 1 . . . . 17 Val CB . 16357 1 191 . 1 1 17 17 VAL CG1 C 13 22.008 0.3 . 2 . . . . 17 Val CG1 . 16357 1 192 . 1 1 17 17 VAL CG2 C 13 21.976 0.3 . 2 . . . . 17 Val CG2 . 16357 1 193 . 1 1 17 17 VAL N N 15 125.650 0.3 . 1 . . . . 17 Val N . 16357 1 194 . 1 1 18 18 VAL H H 1 9.187 0.05 . 1 . . . . 18 Val H . 16357 1 195 . 1 1 18 18 VAL HA H 1 4.480 0.05 . 1 . . . . 18 Val HA . 16357 1 196 . 1 1 18 18 VAL HB H 1 1.949 0.05 . 1 . . . . 18 Val HB . 16357 1 197 . 1 1 18 18 VAL HG11 H 1 0.926 0.05 . 2 . . . . 18 Val HG1 . 16357 1 198 . 1 1 18 18 VAL HG12 H 1 0.926 0.05 . 2 . . . . 18 Val HG1 . 16357 1 199 . 1 1 18 18 VAL HG13 H 1 0.926 0.05 . 2 . . . . 18 Val HG1 . 16357 1 200 . 1 1 18 18 VAL HG21 H 1 0.985 0.05 . 2 . . . . 18 Val HG2 . 16357 1 201 . 1 1 18 18 VAL HG22 H 1 0.985 0.05 . 2 . . . . 18 Val HG2 . 16357 1 202 . 1 1 18 18 VAL HG23 H 1 0.985 0.05 . 2 . . . . 18 Val HG2 . 16357 1 203 . 1 1 18 18 VAL C C 13 174.240 0.3 . 1 . . . . 18 Val C . 16357 1 204 . 1 1 18 18 VAL CA C 13 59.832 0.3 . 1 . . . . 18 Val CA . 16357 1 205 . 1 1 18 18 VAL CB C 13 34.369 0.3 . 1 . . . . 18 Val CB . 16357 1 206 . 1 1 18 18 VAL CG1 C 13 20.135 0.3 . 2 . . . . 18 Val CG1 . 16357 1 207 . 1 1 18 18 VAL CG2 C 13 21.961 0.3 . 2 . . . . 18 Val CG2 . 16357 1 208 . 1 1 18 18 VAL N N 15 127.579 0.3 . 1 . . . . 18 Val N . 16357 1 209 . 1 1 19 19 ARG H H 1 8.173 0.05 . 1 . . . . 19 Arg H . 16357 1 210 . 1 1 19 19 ARG HA H 1 4.703 0.05 . 1 . . . . 19 Arg HA . 16357 1 211 . 1 1 19 19 ARG HB2 H 1 1.912 0.05 . 2 . . . . 19 Arg HB2 . 16357 1 212 . 1 1 19 19 ARG HB3 H 1 1.797 0.05 . 2 . . . . 19 Arg HB3 . 16357 1 213 . 1 1 19 19 ARG HD2 H 1 3.147 0.05 . 2 . . . . 19 Arg HD2 . 16357 1 214 . 1 1 19 19 ARG HG2 H 1 1.718 0.05 . 2 . . . . 19 Arg HG2 . 16357 1 215 . 1 1 19 19 ARG HG3 H 1 1.718 0.05 . 2 . . . . 19 Arg HG3 . 16357 1 216 . 1 1 19 19 ARG C C 13 175.687 0.3 . 1 . . . . 19 Arg C . 16357 1 217 . 1 1 19 19 ARG CA C 13 54.233 0.3 . 1 . . . . 19 Arg CA . 16357 1 218 . 1 1 19 19 ARG CB C 13 30.359 0.3 . 1 . . . . 19 Arg CB . 16357 1 219 . 1 1 19 19 ARG CD C 13 43.500 0.3 . 1 . . . . 19 Arg CD . 16357 1 220 . 1 1 19 19 ARG CG C 13 26.91 0.3 . 1 . . . . 19 Arg CG . 16357 1 221 . 1 1 19 19 ARG N N 15 125.708 0.3 . 1 . . . . 19 Arg N . 16357 1 222 . 1 1 20 20 LEU H H 1 8.255 0.05 . 1 . . . . 20 Leu H . 16357 1 223 . 1 1 20 20 LEU HB2 H 1 1.629 0.05 . 2 . . . . 20 Leu HB2 . 16357 1 224 . 1 1 20 20 LEU HB3 H 1 1.916 0.05 . 2 . . . . 20 Leu HB3 . 16357 1 225 . 1 1 20 20 LEU HD11 H 1 1.010 0.05 . 2 . . . . 20 Leu HD1 . 16357 1 226 . 1 1 20 20 LEU HD12 H 1 1.010 0.05 . 2 . . . . 20 Leu HD1 . 16357 1 227 . 1 1 20 20 LEU HD13 H 1 1.010 0.05 . 2 . . . . 20 Leu HD1 . 16357 1 228 . 1 1 20 20 LEU HD21 H 1 0.845 0.05 . 2 . . . . 20 Leu HD2 . 16357 1 229 . 1 1 20 20 LEU HD22 H 1 0.845 0.05 . 2 . . . . 20 Leu HD2 . 16357 1 230 . 1 1 20 20 LEU HD23 H 1 0.845 0.05 . 2 . . . . 20 Leu HD2 . 16357 1 231 . 1 1 20 20 LEU C C 13 176.680 0.3 . 1 . . . . 20 Leu C . 16357 1 232 . 1 1 20 20 LEU CA C 13 52.960 0.3 . 1 . . . . 20 Leu CA . 16357 1 233 . 1 1 20 20 LEU CB C 13 46.560 0.3 . 1 . . . . 20 Leu CB . 16357 1 234 . 1 1 20 20 LEU CD1 C 13 23.286 0.3 . 2 . . . . 20 Leu CD1 . 16357 1 235 . 1 1 20 20 LEU CD2 C 13 26.138 0.3 . 2 . . . . 20 Leu CD2 . 16357 1 236 . 1 1 20 20 LEU N N 15 122.019 0.3 . 1 . . . . 20 Leu N . 16357 1 237 . 1 1 21 21 TYR H H 1 8.915 0.05 . 1 . . . . 21 Tyr H . 16357 1 238 . 1 1 21 21 TYR HA H 1 4.65 0.05 . 1 . . . . 21 Tyr HA . 16357 1 239 . 1 1 21 21 TYR HB2 H 1 3.406 0.05 . 2 . . . . 21 Tyr HB2 . 16357 1 240 . 1 1 21 21 TYR HB3 H 1 2.604 0.05 . 2 . . . . 21 Tyr HB3 . 16357 1 241 . 1 1 21 21 TYR HD1 H 1 7.432 0.05 . 3 . . . . 21 Tyr HD1 . 16357 1 242 . 1 1 21 21 TYR HD2 H 1 7.432 0.05 . 3 . . . . 21 Tyr HD2 . 16357 1 243 . 1 1 21 21 TYR HE1 H 1 6.82 0.05 . 3 . . . . 21 Tyr HE1 . 16357 1 244 . 1 1 21 21 TYR HE2 H 1 6.82 0.05 . 3 . . . . 21 Tyr HE2 . 16357 1 245 . 1 1 21 21 TYR CA C 13 58.93 0.3 . 1 . . . . 21 Tyr CA . 16357 1 246 . 1 1 21 21 TYR CB C 13 37.2 0.3 . 1 . . . . 21 Tyr CB . 16357 1 247 . 1 1 21 21 TYR CD1 C 13 133.4 0.3 . 3 . . . . 21 Tyr CD1 . 16357 1 248 . 1 1 21 21 TYR CD2 C 13 133.4 0.3 . 3 . . . . 21 Tyr CD2 . 16357 1 249 . 1 1 21 21 TYR CE1 C 13 118.3 0.3 . 3 . . . . 21 Tyr CE1 . 16357 1 250 . 1 1 21 21 TYR CE2 C 13 118.3 0.3 . 3 . . . . 21 Tyr CE2 . 16357 1 251 . 1 1 21 21 TYR N N 15 120.637 0.3 . 1 . . . . 21 Tyr N . 16357 1 252 . 1 1 22 22 PRO HA H 1 4.295 0.05 . 1 . . . . 22 Pro HA . 16357 1 253 . 1 1 22 22 PRO HB2 H 1 2.479 0.05 . 2 . . . . 22 Pro HB2 . 16357 1 254 . 1 1 22 22 PRO HB3 H 1 2.05 0.05 . 2 . . . . 22 Pro HB3 . 16357 1 255 . 1 1 22 22 PRO HD2 H 1 3.747 0.05 . 2 . . . . 22 Pro HD2 . 16357 1 256 . 1 1 22 22 PRO HD3 H 1 3.945 0.05 . 2 . . . . 22 Pro HD3 . 16357 1 257 . 1 1 22 22 PRO HG2 H 1 2.527 0.05 . 2 . . . . 22 Pro HG2 . 16357 1 258 . 1 1 22 22 PRO HG3 H 1 2.117 0.05 . 2 . . . . 22 Pro HG3 . 16357 1 259 . 1 1 22 22 PRO C C 13 178.823 0.3 . 1 . . . . 22 Pro C . 16357 1 260 . 1 1 22 22 PRO CA C 13 67.002 0.3 . 1 . . . . 22 Pro CA . 16357 1 261 . 1 1 22 22 PRO CB C 13 32.334 0.3 . 1 . . . . 22 Pro CB . 16357 1 262 . 1 1 22 22 PRO CD C 13 51.15 0.3 . 1 . . . . 22 Pro CD . 16357 1 263 . 1 1 22 22 PRO CG C 13 28.589 0.3 . 1 . . . . 22 Pro CG . 16357 1 264 . 1 1 23 23 ASP H H 1 9.15 0.05 . 1 . . . . 23 Asp H . 16357 1 265 . 1 1 23 23 ASP HA H 1 4.50 0.05 . 1 . . . . 23 Asp HA . 16357 1 266 . 1 1 23 23 ASP HB2 H 1 2.86 0.05 . 2 . . . . 23 Asp HB2 . 16357 1 267 . 1 1 23 23 ASP HB3 H 1 2.723 0.05 . 2 . . . . 23 Asp HB3 . 16357 1 268 . 1 1 23 23 ASP C C 13 179.364 0.3 . 1 . . . . 23 Asp C . 16357 1 269 . 1 1 23 23 ASP CA C 13 56.871 0.3 . 1 . . . . 23 Asp CA . 16357 1 270 . 1 1 23 23 ASP CB C 13 39.34 0.3 . 1 . . . . 23 Asp CB . 16357 1 271 . 1 1 23 23 ASP N N 15 114.907 0.3 . 1 . . . . 23 Asp N . 16357 1 272 . 1 1 24 24 GLU H H 1 7.515 0.05 . 1 . . . . 24 Glu H . 16357 1 273 . 1 1 24 24 GLU HA H 1 4.11 0.05 . 1 . . . . 24 Glu HA . 16357 1 274 . 1 1 24 24 GLU HB2 H 1 1.87 0.05 . 2 . . . . 24 Glu HB2 . 16357 1 275 . 1 1 24 24 GLU HB3 H 1 1.84 0.05 . 2 . . . . 24 Glu HB3 . 16357 1 276 . 1 1 24 24 GLU HG2 H 1 2.42 0.05 . 2 . . . . 24 Glu HG2 . 16357 1 277 . 1 1 24 24 GLU HG3 H 1 2.42 0.05 . 2 . . . . 24 Glu HG3 . 16357 1 278 . 1 1 24 24 GLU C C 13 176.638 0.3 . 1 . . . . 24 Glu C . 16357 1 279 . 1 1 24 24 GLU CA C 13 58.5 0.3 . 1 . . . . 24 Glu CA . 16357 1 280 . 1 1 24 24 GLU CB C 13 29.4 0.3 . 1 . . . . 24 Glu CB . 16357 1 281 . 1 1 24 24 GLU CG C 13 36.88 0.3 . 1 . . . . 24 Glu CG . 16357 1 282 . 1 1 24 24 GLU N N 15 123.513 0.3 . 1 . . . . 24 Glu N . 16357 1 283 . 1 1 25 25 ILE H H 1 7.85 0.05 . 1 . . . . 25 Ile H . 16357 1 284 . 1 1 25 25 ILE HA H 1 3.605 0.05 . 1 . . . . 25 Ile HA . 16357 1 285 . 1 1 25 25 ILE HB H 1 2.071 0.05 . 1 . . . . 25 Ile HB . 16357 1 286 . 1 1 25 25 ILE HD11 H 1 0.85 0.05 . 1 . . . . 25 Ile HD1 . 16357 1 287 . 1 1 25 25 ILE HD12 H 1 0.85 0.05 . 1 . . . . 25 Ile HD1 . 16357 1 288 . 1 1 25 25 ILE HD13 H 1 0.85 0.05 . 1 . . . . 25 Ile HD1 . 16357 1 289 . 1 1 25 25 ILE HG12 H 1 1.796 0.05 . 2 . . . . 25 Ile HG12 . 16357 1 290 . 1 1 25 25 ILE HG13 H 1 0.859 0.05 . 2 . . . . 25 Ile HG13 . 16357 1 291 . 1 1 25 25 ILE HG21 H 1 0.98 0.05 . 1 . . . . 25 Ile HG2 . 16357 1 292 . 1 1 25 25 ILE HG22 H 1 0.98 0.05 . 1 . . . . 25 Ile HG2 . 16357 1 293 . 1 1 25 25 ILE HG23 H 1 0.98 0.05 . 1 . . . . 25 Ile HG2 . 16357 1 294 . 1 1 25 25 ILE C C 13 178.317 0.3 . 1 . . . . 25 Ile C . 16357 1 295 . 1 1 25 25 ILE CA C 13 66.024 0.3 . 1 . . . . 25 Ile CA . 16357 1 296 . 1 1 25 25 ILE CB C 13 37.613 0.3 . 1 . . . . 25 Ile CB . 16357 1 297 . 1 1 25 25 ILE CD1 C 13 13.64 0.3 . 1 . . . . 25 Ile CD1 . 16357 1 298 . 1 1 25 25 ILE CG1 C 13 30.95 0.3 . 1 . . . . 25 Ile CG1 . 16357 1 299 . 1 1 25 25 ILE CG2 C 13 17.32 0.3 . 1 . . . . 25 Ile CG2 . 16357 1 300 . 1 1 25 25 ILE N N 15 119.2 0.3 . 1 . . . . 25 Ile N . 16357 1 301 . 1 1 26 26 GLU H H 1 8.07 0.05 . 1 . . . . 26 Glu H . 16357 1 302 . 1 1 26 26 GLU HA H 1 4.056 0.05 . 1 . . . . 26 Glu HA . 16357 1 303 . 1 1 26 26 GLU HB2 H 1 2.165 0.05 . 2 . . . . 26 Glu HB2 . 16357 1 304 . 1 1 26 26 GLU HB3 H 1 2.167 0.05 . 2 . . . . 26 Glu HB3 . 16357 1 305 . 1 1 26 26 GLU HG2 H 1 2.457 0.05 . 2 . . . . 26 Glu HG2 . 16357 1 306 . 1 1 26 26 GLU HG3 H 1 2.457 0.05 . 2 . . . . 26 Glu HG3 . 16357 1 307 . 1 1 26 26 GLU C C 13 179.616 0.3 . 1 . . . . 26 Glu C . 16357 1 308 . 1 1 26 26 GLU CA C 13 59.550 0.3 . 1 . . . . 26 Glu CA . 16357 1 309 . 1 1 26 26 GLU CB C 13 29.411 0.3 . 1 . . . . 26 Glu CB . 16357 1 310 . 1 1 26 26 GLU CG C 13 36.011 0.3 . 1 . . . . 26 Glu CG . 16357 1 311 . 1 1 26 26 GLU N N 15 118.181 0.3 . 1 . . . . 26 Glu N . 16357 1 312 . 1 1 27 27 ALA H H 1 7.77 0.05 . 1 . . . . 27 Ala H . 16357 1 313 . 1 1 27 27 ALA HA H 1 4.26 0.05 . 1 . . . . 27 Ala HA . 16357 1 314 . 1 1 27 27 ALA HB1 H 1 1.656 0.05 . 1 . . . . 27 Ala HB . 16357 1 315 . 1 1 27 27 ALA HB2 H 1 1.656 0.05 . 1 . . . . 27 Ala HB . 16357 1 316 . 1 1 27 27 ALA HB3 H 1 1.656 0.05 . 1 . . . . 27 Ala HB . 16357 1 317 . 1 1 27 27 ALA CA C 13 55.27 0.3 . 1 . . . . 27 Ala CA . 16357 1 318 . 1 1 27 27 ALA CB C 13 18.527 0.3 . 1 . . . . 27 Ala CB . 16357 1 319 . 1 1 27 27 ALA N N 15 121.839 0.3 . 1 . . . . 27 Ala N . 16357 1 320 . 1 1 28 28 LEU H H 1 8.39 0.05 . 1 . . . . 28 Leu H . 16357 1 321 . 1 1 28 28 LEU HA H 1 4.126 0.05 . 1 . . . . 28 Leu HA . 16357 1 322 . 1 1 28 28 LEU HB2 H 1 1.958 0.05 . 2 . . . . 28 Leu HB2 . 16357 1 323 . 1 1 28 28 LEU HB3 H 1 1.817 0.05 . 2 . . . . 28 Leu HB3 . 16357 1 324 . 1 1 28 28 LEU HD11 H 1 1.031 0.05 . 2 . . . . 28 Leu HD1 . 16357 1 325 . 1 1 28 28 LEU HD12 H 1 1.031 0.05 . 2 . . . . 28 Leu HD1 . 16357 1 326 . 1 1 28 28 LEU HD13 H 1 1.031 0.05 . 2 . . . . 28 Leu HD1 . 16357 1 327 . 1 1 28 28 LEU HD21 H 1 1.093 0.05 . 2 . . . . 28 Leu HD2 . 16357 1 328 . 1 1 28 28 LEU HD22 H 1 1.093 0.05 . 2 . . . . 28 Leu HD2 . 16357 1 329 . 1 1 28 28 LEU HD23 H 1 1.093 0.05 . 2 . . . . 28 Leu HD2 . 16357 1 330 . 1 1 28 28 LEU HG H 1 1.771 0.05 . 1 . . . . 28 Leu HG . 16357 1 331 . 1 1 28 28 LEU C C 13 179.223 0.3 . 1 . . . . 28 Leu C . 16357 1 332 . 1 1 28 28 LEU CA C 13 58.251 0.3 . 1 . . . . 28 Leu CA . 16357 1 333 . 1 1 28 28 LEU CB C 13 42.454 0.3 . 1 . . . . 28 Leu CB . 16357 1 334 . 1 1 28 28 LEU CD1 C 13 25.302 0.3 . 1 . . . . 28 Leu CD1 . 16357 1 335 . 1 1 28 28 LEU CD2 C 13 24.676 0.3 . 1 . . . . 28 Leu CD2 . 16357 1 336 . 1 1 28 28 LEU CG C 13 27.2 0.3 . 1 . . . . 28 Leu CG . 16357 1 337 . 1 1 28 28 LEU N N 15 120.403 0.3 . 1 . . . . 28 Leu N . 16357 1 338 . 1 1 29 29 LYS H H 1 8.895 0.05 . 1 . . . . 29 Lys H . 16357 1 339 . 1 1 29 29 LYS HA H 1 3.858 0.05 . 1 . . . . 29 Lys HA . 16357 1 340 . 1 1 29 29 LYS HB2 H 1 1.994 0.05 . 2 . . . . 29 Lys HB2 . 16357 1 341 . 1 1 29 29 LYS HB3 H 1 1.994 0.05 . 2 . . . . 29 Lys HB3 . 16357 1 342 . 1 1 29 29 LYS HD2 H 1 1.785 0.05 . 2 . . . . 29 Lys HD2 . 16357 1 343 . 1 1 29 29 LYS HD3 H 1 1.745 0.05 . 2 . . . . 29 Lys HD3 . 16357 1 344 . 1 1 29 29 LYS HE2 H 1 2.985 0.05 . 2 . . . . 29 Lys HE2 . 16357 1 345 . 1 1 29 29 LYS HE3 H 1 3.073 0.05 . 2 . . . . 29 Lys HE3 . 16357 1 346 . 1 1 29 29 LYS HG2 H 1 1.519 0.05 . 2 . . . . 29 Lys HG2 . 16357 1 347 . 1 1 29 29 LYS HG3 H 1 1.754 0.05 . 2 . . . . 29 Lys HG3 . 16357 1 348 . 1 1 29 29 LYS C C 13 179.540 0.3 . 1 . . . . 29 Lys C . 16357 1 349 . 1 1 29 29 LYS CA C 13 60.333 0.3 . 1 . . . . 29 Lys CA . 16357 1 350 . 1 1 29 29 LYS CB C 13 32.712 0.3 . 1 . . . . 29 Lys CB . 16357 1 351 . 1 1 29 29 LYS CD C 13 29.875 0.3 . 1 . . . . 29 Lys CD . 16357 1 352 . 1 1 29 29 LYS CE C 13 42.050 0.3 . 1 . . . . 29 Lys CE . 16357 1 353 . 1 1 29 29 LYS CG C 13 26.135 0.3 . 1 . . . . 29 Lys CG . 16357 1 354 . 1 1 29 29 LYS N N 15 118.430 0.3 . 1 . . . . 29 Lys N . 16357 1 355 . 1 1 30 30 SER H H 1 7.558 0.05 . 1 . . . . 30 Ser H . 16357 1 356 . 1 1 30 30 SER HA H 1 4.383 0.05 . 1 . . . . 30 Ser HA . 16357 1 357 . 1 1 30 30 SER HB2 H 1 4.110 0.05 . 2 . . . . 30 Ser HB2 . 16357 1 358 . 1 1 30 30 SER HB3 H 1 4.110 0.05 . 2 . . . . 30 Ser HB3 . 16357 1 359 . 1 1 30 30 SER CA C 13 60.922 0.3 . 1 . . . . 30 Ser CA . 16357 1 360 . 1 1 30 30 SER CB C 13 63.599 0.3 . 1 . . . . 30 Ser CB . 16357 1 361 . 1 1 30 30 SER N N 15 111.985 0.3 . 1 . . . . 30 Ser N . 16357 1 362 . 1 1 31 31 ARG H H 1 7.763 0.05 . 1 . . . . 31 Arg H . 16357 1 363 . 1 1 31 31 ARG HA H 1 4.417 0.05 . 1 . . . . 31 Arg HA . 16357 1 364 . 1 1 31 31 ARG HB2 H 1 1.925 0.05 . 2 . . . . 31 Arg HB2 . 16357 1 365 . 1 1 31 31 ARG HB3 H 1 2.285 0.05 . 2 . . . . 31 Arg HB3 . 16357 1 366 . 1 1 31 31 ARG HD2 H 1 3.209 0.05 . 2 . . . . 31 Arg HD2 . 16357 1 367 . 1 1 31 31 ARG HD3 H 1 3.301 0.05 . 2 . . . . 31 Arg HD3 . 16357 1 368 . 1 1 31 31 ARG HG2 H 1 1.829 0.05 . 2 . . . . 31 Arg HG2 . 16357 1 369 . 1 1 31 31 ARG HG3 H 1 1.829 0.05 . 2 . . . . 31 Arg HG3 . 16357 1 370 . 1 1 31 31 ARG CA C 13 55.41 0.3 . 1 . . . . 31 Arg CA . 16357 1 371 . 1 1 31 31 ARG CB C 13 31.352 0.3 . 1 . . . . 31 Arg CB . 16357 1 372 . 1 1 31 31 ARG CD C 13 43.052 0.3 . 1 . . . . 31 Arg CD . 16357 1 373 . 1 1 31 31 ARG CG C 13 27.2 0.3 . 1 . . . . 31 Arg CG . 16357 1 374 . 1 1 31 31 ARG N N 15 119.557 0.3 . 1 . . . . 31 Arg N . 16357 1 375 . 1 1 32 32 VAL H H 1 7.034 0.05 . 1 . . . . 32 Val H . 16357 1 376 . 1 1 32 32 VAL HA H 1 3.280 0.05 . 1 . . . . 32 Val HA . 16357 1 377 . 1 1 32 32 VAL HB H 1 1.97 0.05 . 1 . . . . 32 Val HB . 16357 1 378 . 1 1 32 32 VAL HG11 H 1 0.867 0.05 . 2 . . . . 32 Val HG1 . 16357 1 379 . 1 1 32 32 VAL HG12 H 1 0.867 0.05 . 2 . . . . 32 Val HG1 . 16357 1 380 . 1 1 32 32 VAL HG13 H 1 0.867 0.05 . 2 . . . . 32 Val HG1 . 16357 1 381 . 1 1 32 32 VAL HG21 H 1 0.812 0.05 . 2 . . . . 32 Val HG2 . 16357 1 382 . 1 1 32 32 VAL HG22 H 1 0.812 0.05 . 2 . . . . 32 Val HG2 . 16357 1 383 . 1 1 32 32 VAL HG23 H 1 0.812 0.05 . 2 . . . . 32 Val HG2 . 16357 1 384 . 1 1 32 32 VAL CA C 13 61.133 0.3 . 1 . . . . 32 Val CA . 16357 1 385 . 1 1 32 32 VAL CB C 13 32.467 0.3 . 1 . . . . 32 Val CB . 16357 1 386 . 1 1 32 32 VAL CG1 C 13 21.79 0.3 . 2 . . . . 32 Val CG1 . 16357 1 387 . 1 1 32 32 VAL CG2 C 13 22.01 0.3 . 2 . . . . 32 Val CG2 . 16357 1 388 . 1 1 32 32 VAL N N 15 121.674 0.3 . 1 . . . . 32 Val N . 16357 1 389 . 1 1 33 33 PRO HA H 1 4.512 0.05 . 1 . . . . 33 Pro HA . 16357 1 390 . 1 1 33 33 PRO HB2 H 1 2.488 0.05 . 2 . . . . 33 Pro HB2 . 16357 1 391 . 1 1 33 33 PRO HB3 H 1 2.081 0.05 . 2 . . . . 33 Pro HB3 . 16357 1 392 . 1 1 33 33 PRO HD2 H 1 4.053 0.05 . 2 . . . . 33 Pro HD2 . 16357 1 393 . 1 1 33 33 PRO HD3 H 1 3.346 0.05 . 2 . . . . 33 Pro HD3 . 16357 1 394 . 1 1 33 33 PRO HG2 H 1 2.11 0.05 . 2 . . . . 33 Pro HG2 . 16357 1 395 . 1 1 33 33 PRO HG3 H 1 2.228 0.05 . 2 . . . . 33 Pro HG3 . 16357 1 396 . 1 1 33 33 PRO CA C 13 62.841 0.3 . 1 . . . . 33 Pro CA . 16357 1 397 . 1 1 33 33 PRO CB C 13 32.622 0.3 . 1 . . . . 33 Pro CB . 16357 1 398 . 1 1 33 33 PRO CD C 13 51.690 0.3 . 1 . . . . 33 Pro CD . 16357 1 399 . 1 1 33 33 PRO CG C 13 27.506 0.3 . 1 . . . . 33 Pro CG . 16357 1 400 . 1 1 34 34 ALA H H 1 8.436 0.05 . 1 . . . . 34 Ala H . 16357 1 401 . 1 1 34 34 ALA HA H 1 4.227 0.05 . 1 . . . . 34 Ala HA . 16357 1 402 . 1 1 34 34 ALA HB1 H 1 1.490 0.05 . 1 . . . . 34 Ala HB . 16357 1 403 . 1 1 34 34 ALA HB2 H 1 1.490 0.05 . 1 . . . . 34 Ala HB . 16357 1 404 . 1 1 34 34 ALA HB3 H 1 1.490 0.05 . 1 . . . . 34 Ala HB . 16357 1 405 . 1 1 34 34 ALA C C 13 179.218 0.3 . 1 . . . . 34 Ala C . 16357 1 406 . 1 1 34 34 ALA CA C 13 53.93 0.3 . 1 . . . . 34 Ala CA . 16357 1 407 . 1 1 34 34 ALA CB C 13 18.533 0.3 . 1 . . . . 34 Ala CB . 16357 1 408 . 1 1 34 34 ALA N N 15 121.917 0.3 . 1 . . . . 34 Ala N . 16357 1 409 . 1 1 35 35 ASN H H 1 8.684 0.05 . 1 . . . . 35 Asn H . 16357 1 410 . 1 1 35 35 ASN HA H 1 4.594 0.05 . 1 . . . . 35 Asn HA . 16357 1 411 . 1 1 35 35 ASN HB2 H 1 3.005 0.05 . 2 . . . . 35 Asn HB2 . 16357 1 412 . 1 1 35 35 ASN HB3 H 1 3.12 0.05 . 2 . . . . 35 Asn HB3 . 16357 1 413 . 1 1 35 35 ASN HD21 H 1 6.966 0.05 . 2 . . . . 35 Asn HD21 . 16357 1 414 . 1 1 35 35 ASN HD22 H 1 7.685 0.05 . 2 . . . . 35 Asn HD22 . 16357 1 415 . 1 1 35 35 ASN C C 13 174.797 0.3 . 1 . . . . 35 Asn C . 16357 1 416 . 1 1 35 35 ASN CA C 13 54.245 0.3 . 1 . . . . 35 Asn CA . 16357 1 417 . 1 1 35 35 ASN CB C 13 37.830 0.3 . 1 . . . . 35 Asn CB . 16357 1 418 . 1 1 35 35 ASN N N 15 114.379 0.3 . 1 . . . . 35 Asn N . 16357 1 419 . 1 1 35 35 ASN ND2 N 15 113.1 0.3 . 1 . . . . 35 Asn ND2 . 16357 1 420 . 1 1 36 36 THR H H 1 7.730 0.05 . 1 . . . . 36 Thr H . 16357 1 421 . 1 1 36 36 THR HA H 1 4.635 0.05 . 1 . . . . 36 Thr HA . 16357 1 422 . 1 1 36 36 THR HB H 1 4.121 0.05 . 1 . . . . 36 Thr HB . 16357 1 423 . 1 1 36 36 THR HG21 H 1 1.469 0.05 . 1 . . . . 36 Thr HG2 . 16357 1 424 . 1 1 36 36 THR HG22 H 1 1.469 0.05 . 1 . . . . 36 Thr HG2 . 16357 1 425 . 1 1 36 36 THR HG23 H 1 1.469 0.05 . 1 . . . . 36 Thr HG2 . 16357 1 426 . 1 1 36 36 THR CA C 13 61.487 0.3 . 1 . . . . 36 Thr CA . 16357 1 427 . 1 1 36 36 THR CB C 13 71.101 0.3 . 1 . . . . 36 Thr CB . 16357 1 428 . 1 1 36 36 THR CG2 C 13 20.573 0.3 . 1 . . . . 36 Thr CG2 . 16357 1 429 . 1 1 36 36 THR N N 15 114.490 0.3 . 1 . . . . 36 Thr N . 16357 1 430 . 1 1 37 37 SER H H 1 8.622 0.05 . 1 . . . . 37 Ser H . 16357 1 431 . 1 1 37 37 SER HA H 1 4.664 0.05 . 1 . . . . 37 Ser HA . 16357 1 432 . 1 1 37 37 SER HB2 H 1 4.476 0.05 . 2 . . . . 37 Ser HB2 . 16357 1 433 . 1 1 37 37 SER HB3 H 1 4.141 0.05 . 2 . . . . 37 Ser HB3 . 16357 1 434 . 1 1 37 37 SER CA C 13 56.974 0.3 . 1 . . . . 37 Ser CA . 16357 1 435 . 1 1 37 37 SER CB C 13 65.755 0.3 . 1 . . . . 37 Ser CB . 16357 1 436 . 1 1 37 37 SER N N 15 119.067 0.3 . 1 . . . . 37 Ser N . 16357 1 437 . 1 1 38 38 MET H H 1 9.125 0.05 . 1 . . . . 38 Met H . 16357 1 438 . 1 1 38 38 MET HA H 1 4.235 0.05 . 1 . . . . 38 Met HA . 16357 1 439 . 1 1 38 38 MET HB2 H 1 2.21 0.05 . 2 . . . . 38 Met HB2 . 16357 1 440 . 1 1 38 38 MET HB3 H 1 2.589 0.05 . 2 . . . . 38 Met HB3 . 16357 1 441 . 1 1 38 38 MET HE1 H 1 2.233 0.05 . 1 . . . . 38 Met HE . 16357 1 442 . 1 1 38 38 MET HE2 H 1 2.233 0.05 . 1 . . . . 38 Met HE . 16357 1 443 . 1 1 38 38 MET HE3 H 1 2.233 0.05 . 1 . . . . 38 Met HE . 16357 1 444 . 1 1 38 38 MET C C 13 178.508 0.3 . 1 . . . . 38 Met C . 16357 1 445 . 1 1 38 38 MET CA C 13 59.967 0.3 . 1 . . . . 38 Met CA . 16357 1 446 . 1 1 38 38 MET CB C 13 32.376 0.3 . 1 . . . . 38 Met CB . 16357 1 447 . 1 1 38 38 MET CE C 13 16.866 0.3 . 1 . . . . 38 Met CE . 16357 1 448 . 1 1 38 38 MET N N 15 122.400 0.3 . 1 . . . . 38 Met N . 16357 1 449 . 1 1 39 39 SER H H 1 8.626 0.05 . 1 . . . . 39 Ser H . 16357 1 450 . 1 1 39 39 SER HA H 1 4.18 0.05 . 1 . . . . 39 Ser HA . 16357 1 451 . 1 1 39 39 SER HB2 H 1 4.212 0.05 . 2 . . . . 39 Ser HB2 . 16357 1 452 . 1 1 39 39 SER HB3 H 1 4.076 0.05 . 2 . . . . 39 Ser HB3 . 16357 1 453 . 1 1 39 39 SER C C 13 177.583 0.3 . 1 . . . . 39 Ser C . 16357 1 454 . 1 1 39 39 SER CA C 13 62.0 0.3 . 1 . . . . 39 Ser CA . 16357 1 455 . 1 1 39 39 SER CB C 13 63.51 0.3 . 1 . . . . 39 Ser CB . 16357 1 456 . 1 1 39 39 SER N N 15 112.404 0.3 . 1 . . . . 39 Ser N . 16357 1 457 . 1 1 40 40 ALA H H 1 8.134 0.05 . 1 . . . . 40 Ala H . 16357 1 458 . 1 1 40 40 ALA HA H 1 4.289 0.05 . 1 . . . . 40 Ala HA . 16357 1 459 . 1 1 40 40 ALA HB1 H 1 1.700 0.05 . 1 . . . . 40 Ala HB . 16357 1 460 . 1 1 40 40 ALA HB2 H 1 1.700 0.05 . 1 . . . . 40 Ala HB . 16357 1 461 . 1 1 40 40 ALA HB3 H 1 1.700 0.05 . 1 . . . . 40 Ala HB . 16357 1 462 . 1 1 40 40 ALA CA C 13 55.240 0.3 . 1 . . . . 40 Ala CA . 16357 1 463 . 1 1 40 40 ALA CB C 13 18.761 0.3 . 1 . . . . 40 Ala CB . 16357 1 464 . 1 1 40 40 ALA N N 15 122.445 0.3 . 1 . . . . 40 Ala N . 16357 1 465 . 1 1 41 41 TYR H H 1 8.480 0.05 . 1 . . . . 41 Tyr H . 16357 1 466 . 1 1 41 41 TYR HA H 1 4.29 0.05 . 1 . . . . 41 Tyr HA . 16357 1 467 . 1 1 41 41 TYR HB2 H 1 3.251 0.05 . 2 . . . . 41 Tyr HB2 . 16357 1 468 . 1 1 41 41 TYR HB3 H 1 3.250 0.05 . 2 . . . . 41 Tyr HB3 . 16357 1 469 . 1 1 41 41 TYR HD1 H 1 6.99 0.05 . 3 . . . . 41 Tyr HD1 . 16357 1 470 . 1 1 41 41 TYR HD2 H 1 6.99 0.05 . 3 . . . . 41 Tyr HD2 . 16357 1 471 . 1 1 41 41 TYR HE1 H 1 6.798 0.05 . 3 . . . . 41 Tyr HE1 . 16357 1 472 . 1 1 41 41 TYR HE2 H 1 6.798 0.05 . 3 . . . . 41 Tyr HE2 . 16357 1 473 . 1 1 41 41 TYR C C 13 177.802 0.3 . 1 . . . . 41 Tyr C . 16357 1 474 . 1 1 41 41 TYR CA C 13 62.030 0.3 . 1 . . . . 41 Tyr CA . 16357 1 475 . 1 1 41 41 TYR CB C 13 39.893 0.3 . 1 . . . . 41 Tyr CB . 16357 1 476 . 1 1 41 41 TYR CD1 C 13 132.7 0.3 . 3 . . . . 41 Tyr CD1 . 16357 1 477 . 1 1 41 41 TYR CD2 C 13 132.7 0.3 . 3 . . . . 41 Tyr CD2 . 16357 1 478 . 1 1 41 41 TYR CE1 C 13 119.0 0.3 . 3 . . . . 41 Tyr CE1 . 16357 1 479 . 1 1 41 41 TYR CE2 C 13 119.0 0.3 . 3 . . . . 41 Tyr CE2 . 16357 1 480 . 1 1 41 41 TYR N N 15 121.110 0.3 . 1 . . . . 41 Tyr N . 16357 1 481 . 1 1 42 42 ILE H H 1 8.726 0.05 . 1 . . . . 42 Ile H . 16357 1 482 . 1 1 42 42 ILE HA H 1 3.501 0.05 . 1 . . . . 42 Ile HA . 16357 1 483 . 1 1 42 42 ILE HB H 1 1.950 0.05 . 1 . . . . 42 Ile HB . 16357 1 484 . 1 1 42 42 ILE HD11 H 1 0.803 0.05 . 1 . . . . 42 Ile HD1 . 16357 1 485 . 1 1 42 42 ILE HD12 H 1 0.803 0.05 . 1 . . . . 42 Ile HD1 . 16357 1 486 . 1 1 42 42 ILE HD13 H 1 0.803 0.05 . 1 . . . . 42 Ile HD1 . 16357 1 487 . 1 1 42 42 ILE HG12 H 1 2.227 0.05 . 2 . . . . 42 Ile HG12 . 16357 1 488 . 1 1 42 42 ILE HG13 H 1 0.808 0.05 . 2 . . . . 42 Ile HG13 . 16357 1 489 . 1 1 42 42 ILE HG21 H 1 0.875 0.05 . 1 . . . . 42 Ile HG2 . 16357 1 490 . 1 1 42 42 ILE HG22 H 1 0.875 0.05 . 1 . . . . 42 Ile HG2 . 16357 1 491 . 1 1 42 42 ILE HG23 H 1 0.875 0.05 . 1 . . . . 42 Ile HG2 . 16357 1 492 . 1 1 42 42 ILE C C 13 178.148 0.3 . 1 . . . . 42 Ile C . 16357 1 493 . 1 1 42 42 ILE CA C 13 66.02 0.3 . 1 . . . . 42 Ile CA . 16357 1 494 . 1 1 42 42 ILE CB C 13 37.624 0.3 . 1 . . . . 42 Ile CB . 16357 1 495 . 1 1 42 42 ILE CD1 C 13 14.07 0.3 . 1 . . . . 42 Ile CD1 . 16357 1 496 . 1 1 42 42 ILE CG1 C 13 29.985 0.3 . 1 . . . . 42 Ile CG1 . 16357 1 497 . 1 1 42 42 ILE CG2 C 13 18.327 0.3 . 1 . . . . 42 Ile CG2 . 16357 1 498 . 1 1 42 42 ILE N N 15 118.174 0.3 . 1 . . . . 42 Ile N . 16357 1 499 . 1 1 43 43 ARG H H 1 8.52 0.05 . 1 . . . . 43 Arg H . 16357 1 500 . 1 1 43 43 ARG HA H 1 3.77 0.05 . 1 . . . . 43 Arg HA . 16357 1 501 . 1 1 43 43 ARG HB2 H 1 1.746 0.05 . 2 . . . . 43 Arg HB2 . 16357 1 502 . 1 1 43 43 ARG HB3 H 1 2.11 0.05 . 2 . . . . 43 Arg HB3 . 16357 1 503 . 1 1 43 43 ARG HG2 H 1 1.716 0.05 . 2 . . . . 43 Arg HG2 . 16357 1 504 . 1 1 43 43 ARG HG3 H 1 1.716 0.05 . 2 . . . . 43 Arg HG3 . 16357 1 505 . 1 1 43 43 ARG C C 13 177.081 0.3 . 1 . . . . 43 Arg C . 16357 1 506 . 1 1 43 43 ARG CA C 13 60.97 0.3 . 1 . . . . 43 Arg CA . 16357 1 507 . 1 1 43 43 ARG CB C 13 28.36 0.3 . 1 . . . . 43 Arg CB . 16357 1 508 . 1 1 43 43 ARG CD C 13 43.059 0.3 . 1 . . . . 43 Arg CD . 16357 1 509 . 1 1 43 43 ARG N N 15 120.141 0.3 . 1 . . . . 43 Arg N . 16357 1 510 . 1 1 44 44 ARG H H 1 7.668 0.05 . 1 . . . . 44 Arg H . 16357 1 511 . 1 1 44 44 ARG HA H 1 3.956 0.05 . 1 . . . . 44 Arg HA . 16357 1 512 . 1 1 44 44 ARG HB2 H 1 2.06 0.05 . 2 . . . . 44 Arg HB2 . 16357 1 513 . 1 1 44 44 ARG HB3 H 1 1.98 0.05 . 2 . . . . 44 Arg HB3 . 16357 1 514 . 1 1 44 44 ARG HD2 H 1 3.245 0.05 . 2 . . . . 44 Arg HD2 . 16357 1 515 . 1 1 44 44 ARG HD3 H 1 3.35 0.05 . 2 . . . . 44 Arg HD3 . 16357 1 516 . 1 1 44 44 ARG HG2 H 1 1.762 0.05 . 2 . . . . 44 Arg HG2 . 16357 1 517 . 1 1 44 44 ARG HG3 H 1 1.762 0.05 . 2 . . . . 44 Arg HG3 . 16357 1 518 . 1 1 44 44 ARG C C 13 178.607 0.3 . 1 . . . . 44 Arg C . 16357 1 519 . 1 1 44 44 ARG CA C 13 59.609 0.3 . 1 . . . . 44 Arg CA . 16357 1 520 . 1 1 44 44 ARG CB C 13 29.760 0.3 . 1 . . . . 44 Arg CB . 16357 1 521 . 1 1 44 44 ARG CD C 13 43.787 0.3 . 1 . . . . 44 Arg CD . 16357 1 522 . 1 1 44 44 ARG CG C 13 26.530 0.3 . 1 . . . . 44 Arg CG . 16357 1 523 . 1 1 44 44 ARG N N 15 118.718 0.3 . 1 . . . . 44 Arg N . 16357 1 524 . 1 1 45 45 ILE H H 1 7.693 0.05 . 1 . . . . 45 Ile H . 16357 1 525 . 1 1 45 45 ILE HA H 1 3.612 0.05 . 1 . . . . 45 Ile HA . 16357 1 526 . 1 1 45 45 ILE HB H 1 1.884 0.05 . 1 . . . . 45 Ile HB . 16357 1 527 . 1 1 45 45 ILE HD11 H 1 0.388 0.05 . 1 . . . . 45 Ile HD1 . 16357 1 528 . 1 1 45 45 ILE HD12 H 1 0.388 0.05 . 1 . . . . 45 Ile HD1 . 16357 1 529 . 1 1 45 45 ILE HD13 H 1 0.388 0.05 . 1 . . . . 45 Ile HD1 . 16357 1 530 . 1 1 45 45 ILE HG12 H 1 1.156 0.05 . 2 . . . . 45 Ile HG12 . 16357 1 531 . 1 1 45 45 ILE HG13 H 1 0.398 0.05 . 2 . . . . 45 Ile HG13 . 16357 1 532 . 1 1 45 45 ILE HG21 H 1 0.576 0.05 . 1 . . . . 45 Ile HG2 . 16357 1 533 . 1 1 45 45 ILE HG22 H 1 0.576 0.05 . 1 . . . . 45 Ile HG2 . 16357 1 534 . 1 1 45 45 ILE HG23 H 1 0.576 0.05 . 1 . . . . 45 Ile HG2 . 16357 1 535 . 1 1 45 45 ILE C C 13 175.056 0.3 . 1 . . . . 45 Ile C . 16357 1 536 . 1 1 45 45 ILE CA C 13 65.095 0.3 . 1 . . . . 45 Ile CA . 16357 1 537 . 1 1 45 45 ILE CB C 13 37.634 0.3 . 1 . . . . 45 Ile CB . 16357 1 538 . 1 1 45 45 ILE CD1 C 13 13.836 0.3 . 1 . . . . 45 Ile CD1 . 16357 1 539 . 1 1 45 45 ILE CG1 C 13 27.38 0.3 . 1 . . . . 45 Ile CG1 . 16357 1 540 . 1 1 45 45 ILE CG2 C 13 17.699 0.3 . 1 . . . . 45 Ile CG2 . 16357 1 541 . 1 1 45 45 ILE N N 15 118.487 0.3 . 1 . . . . 45 Ile N . 16357 1 542 . 1 1 46 46 ILE H H 1 8.405 0.05 . 1 . . . . 46 Ile H . 16357 1 543 . 1 1 46 46 ILE HA H 1 3.625 0.05 . 1 . . . . 46 Ile HA . 16357 1 544 . 1 1 46 46 ILE HB H 1 2.196 0.05 . 1 . . . . 46 Ile HB . 16357 1 545 . 1 1 46 46 ILE HD11 H 1 0.925 0.05 . 1 . . . . 46 Ile HD1 . 16357 1 546 . 1 1 46 46 ILE HD12 H 1 0.925 0.05 . 1 . . . . 46 Ile HD1 . 16357 1 547 . 1 1 46 46 ILE HD13 H 1 0.925 0.05 . 1 . . . . 46 Ile HD1 . 16357 1 548 . 1 1 46 46 ILE HG12 H 1 1.943 0.05 . 2 . . . . 46 Ile HG12 . 16357 1 549 . 1 1 46 46 ILE HG13 H 1 0.931 0.05 . 2 . . . . 46 Ile HG13 . 16357 1 550 . 1 1 46 46 ILE HG21 H 1 0.993 0.05 . 1 . . . . 46 Ile HG2 . 16357 1 551 . 1 1 46 46 ILE HG22 H 1 0.993 0.05 . 1 . . . . 46 Ile HG2 . 16357 1 552 . 1 1 46 46 ILE HG23 H 1 0.993 0.05 . 1 . . . . 46 Ile HG2 . 16357 1 553 . 1 1 46 46 ILE C C 13 178.004 0.3 . 1 . . . . 46 Ile C . 16357 1 554 . 1 1 46 46 ILE CA C 13 66.129 0.3 . 1 . . . . 46 Ile CA . 16357 1 555 . 1 1 46 46 ILE CB C 13 38.012 0.3 . 1 . . . . 46 Ile CB . 16357 1 556 . 1 1 46 46 ILE CD1 C 13 15.948 0.3 . 1 . . . . 46 Ile CD1 . 16357 1 557 . 1 1 46 46 ILE CG1 C 13 29.426 0.3 . 1 . . . . 46 Ile CG1 . 16357 1 558 . 1 1 46 46 ILE CG2 C 13 17.660 0.3 . 1 . . . . 46 Ile CG2 . 16357 1 559 . 1 1 46 46 ILE N N 15 122.0 0.3 . 1 . . . . 46 Ile N . 16357 1 560 . 1 1 47 47 LEU H H 1 8.935 0.05 . 1 . . . . 47 Leu H . 16357 1 561 . 1 1 47 47 LEU HA H 1 4.054 0.05 . 1 . . . . 47 Leu HA . 16357 1 562 . 1 1 47 47 LEU HB2 H 1 1.56 0.05 . 2 . . . . 47 Leu HB2 . 16357 1 563 . 1 1 47 47 LEU HB3 H 1 1.929 0.05 . 2 . . . . 47 Leu HB3 . 16357 1 564 . 1 1 47 47 LEU HD11 H 1 0.937 0.05 . 2 . . . . 47 Leu HD1 . 16357 1 565 . 1 1 47 47 LEU HD12 H 1 0.937 0.05 . 2 . . . . 47 Leu HD1 . 16357 1 566 . 1 1 47 47 LEU HD13 H 1 0.937 0.05 . 2 . . . . 47 Leu HD1 . 16357 1 567 . 1 1 47 47 LEU HD21 H 1 0.948 0.05 . 2 . . . . 47 Leu HD2 . 16357 1 568 . 1 1 47 47 LEU HD22 H 1 0.948 0.05 . 2 . . . . 47 Leu HD2 . 16357 1 569 . 1 1 47 47 LEU HD23 H 1 0.948 0.05 . 2 . . . . 47 Leu HD2 . 16357 1 570 . 1 1 47 47 LEU HG H 1 2.009 0.05 . 1 . . . . 47 Leu HG . 16357 1 571 . 1 1 47 47 LEU C C 13 180.461 0.3 . 1 . . . . 47 Leu C . 16357 1 572 . 1 1 47 47 LEU CA C 13 58.596 0.3 . 1 . . . . 47 Leu CA . 16357 1 573 . 1 1 47 47 LEU CB C 13 40.633 0.3 . 1 . . . . 47 Leu CB . 16357 1 574 . 1 1 47 47 LEU CD1 C 13 24.895 0.3 . 2 . . . . 47 Leu CD1 . 16357 1 575 . 1 1 47 47 LEU CD2 C 13 21.560 0.3 . 2 . . . . 47 Leu CD2 . 16357 1 576 . 1 1 47 47 LEU CG C 13 26.917 0.3 . 1 . . . . 47 Leu CG . 16357 1 577 . 1 1 47 47 LEU N N 15 120.336 0.3 . 1 . . . . 47 Leu N . 16357 1 578 . 1 1 48 48 ASN H H 1 8.34 0.05 . 1 . . . . 48 Asn H . 16357 1 579 . 1 1 48 48 ASN HA H 1 4.524 0.05 . 1 . . . . 48 Asn HA . 16357 1 580 . 1 1 48 48 ASN HB2 H 1 2.912 0.05 . 2 . . . . 48 Asn HB2 . 16357 1 581 . 1 1 48 48 ASN HB3 H 1 2.95 0.05 . 2 . . . . 48 Asn HB3 . 16357 1 582 . 1 1 48 48 ASN HD21 H 1 6.915 0.05 . 2 . . . . 48 Asn HD21 . 16357 1 583 . 1 1 48 48 ASN HD22 H 1 7.787 0.05 . 2 . . . . 48 Asn HD22 . 16357 1 584 . 1 1 48 48 ASN C C 13 178.720 0.3 . 1 . . . . 48 Asn C . 16357 1 585 . 1 1 48 48 ASN CA C 13 56.083 0.3 . 1 . . . . 48 Asn CA . 16357 1 586 . 1 1 48 48 ASN CB C 13 38.129 0.3 . 1 . . . . 48 Asn CB . 16357 1 587 . 1 1 48 48 ASN N N 15 117.516 0.3 . 1 . . . . 48 Asn N . 16357 1 588 . 1 1 48 48 ASN ND2 N 15 111.00 0.3 . 1 . . . . 48 Asn ND2 . 16357 1 589 . 1 1 49 49 HIS H H 1 7.85 0.05 . 1 . . . . 49 His H . 16357 1 590 . 1 1 49 49 HIS HA H 1 4.544 0.05 . 1 . . . . 49 His HA . 16357 1 591 . 1 1 49 49 HIS HB2 H 1 3.218 0.05 . 2 . . . . 49 His HB2 . 16357 1 592 . 1 1 49 49 HIS HB3 H 1 3.714 0.05 . 2 . . . . 49 His HB3 . 16357 1 593 . 1 1 49 49 HIS HD2 H 1 6.727 0.05 . 1 . . . . 49 His HD2 . 16357 1 594 . 1 1 49 49 HIS C C 13 177.294 0.3 . 1 . . . . 49 His C . 16357 1 595 . 1 1 49 49 HIS CA C 13 59.101 0.3 . 1 . . . . 49 His CA . 16357 1 596 . 1 1 49 49 HIS CB C 13 29.310 0.3 . 1 . . . . 49 His CB . 16357 1 597 . 1 1 49 49 HIS CD2 C 13 123.4 0.3 . 1 . . . . 49 His CD2 . 16357 1 598 . 1 1 49 49 HIS N N 15 119.315 0.3 . 1 . . . . 49 His N . 16357 1 599 . 1 1 50 50 LEU H H 1 8.196 0.05 . 1 . . . . 50 Leu H . 16357 1 600 . 1 1 50 50 LEU HA H 1 4.055 0.05 . 1 . . . . 50 Leu HA . 16357 1 601 . 1 1 50 50 LEU HB2 H 1 1.617 0.05 . 2 . . . . 50 Leu HB2 . 16357 1 602 . 1 1 50 50 LEU HB3 H 1 2.069 0.05 . 2 . . . . 50 Leu HB3 . 16357 1 603 . 1 1 50 50 LEU HD11 H 1 0.89 0.05 . 2 . . . . 50 Leu HD1 . 16357 1 604 . 1 1 50 50 LEU HD12 H 1 0.89 0.05 . 2 . . . . 50 Leu HD1 . 16357 1 605 . 1 1 50 50 LEU HD13 H 1 0.89 0.05 . 2 . . . . 50 Leu HD1 . 16357 1 606 . 1 1 50 50 LEU HD21 H 1 1.000 0.05 . 2 . . . . 50 Leu HD2 . 16357 1 607 . 1 1 50 50 LEU HD22 H 1 1.000 0.05 . 2 . . . . 50 Leu HD2 . 16357 1 608 . 1 1 50 50 LEU HD23 H 1 1.000 0.05 . 2 . . . . 50 Leu HD2 . 16357 1 609 . 1 1 50 50 LEU C C 13 178.471 0.3 . 1 . . . . 50 Leu C . 16357 1 610 . 1 1 50 50 LEU CA C 13 56.577 0.3 . 1 . . . . 50 Leu CA . 16357 1 611 . 1 1 50 50 LEU CB C 13 42.060 0.3 . 1 . . . . 50 Leu CB . 16357 1 612 . 1 1 50 50 LEU CD1 C 13 22.47 0.3 . 2 . . . . 50 Leu CD1 . 16357 1 613 . 1 1 50 50 LEU CD2 C 13 25.659 0.3 . 2 . . . . 50 Leu CD2 . 16357 1 614 . 1 1 50 50 LEU N N 15 117.173 0.3 . 1 . . . . 50 Leu N . 16357 1 615 . 1 1 51 51 GLU H H 1 7.75 0.05 . 1 . . . . 51 Glu H . 16357 1 616 . 1 1 51 51 GLU HA H 1 4.312 0.05 . 1 . . . . 51 Glu HA . 16357 1 617 . 1 1 51 51 GLU HB2 H 1 2.204 0.05 . 2 . . . . 51 Glu HB2 . 16357 1 618 . 1 1 51 51 GLU HB3 H 1 2.139 0.05 . 2 . . . . 51 Glu HB3 . 16357 1 619 . 1 1 51 51 GLU HG2 H 1 2.396 0.05 . 2 . . . . 51 Glu HG2 . 16357 1 620 . 1 1 51 51 GLU HG3 H 1 2.53 0.05 . 2 . . . . 51 Glu HG3 . 16357 1 621 . 1 1 51 51 GLU CA C 13 57.23 0.3 . 1 . . . . 51 Glu CA . 16357 1 622 . 1 1 51 51 GLU CB C 13 30.26 0.3 . 1 . . . . 51 Glu CB . 16357 1 623 . 1 1 51 51 GLU CG C 13 36.32 0.3 . 1 . . . . 51 Glu CG . 16357 1 624 . 1 1 51 51 GLU N N 15 117.196 0.3 . 1 . . . . 51 Glu N . 16357 1 625 . 1 1 52 52 ASP H H 1 7.827 0.05 . 1 . . . . 52 Asp H . 16357 1 626 . 1 1 52 52 ASP HA H 1 4.658 0.05 . 1 . . . . 52 Asp HA . 16357 1 627 . 1 1 52 52 ASP HB2 H 1 2.77 0.05 . 2 . . . . 52 Asp HB2 . 16357 1 628 . 1 1 52 52 ASP HB3 H 1 2.88 0.05 . 2 . . . . 52 Asp HB3 . 16357 1 629 . 1 1 52 52 ASP C C 13 175.828 0.3 . 1 . . . . 52 Asp C . 16357 1 630 . 1 1 52 52 ASP CA C 13 54.871 0.3 . 1 . . . . 52 Asp CA . 16357 1 631 . 1 1 52 52 ASP CB C 13 41.57 0.3 . 1 . . . . 52 Asp CB . 16357 1 632 . 1 1 52 52 ASP N N 15 120.128 0.3 . 1 . . . . 52 Asp N . 16357 1 633 . 1 1 53 53 GLU H H 1 7.919 0.05 . 1 . . . . 53 Glu H . 16357 1 634 . 1 1 53 53 GLU HA H 1 4.22 0.05 . 1 . . . . 53 Glu HA . 16357 1 635 . 1 1 53 53 GLU HB2 H 1 1.969 0.05 . 2 . . . . 53 Glu HB2 . 16357 1 636 . 1 1 53 53 GLU HB3 H 1 2.118 0.05 . 2 . . . . 53 Glu HB3 . 16357 1 637 . 1 1 53 53 GLU HG2 H 1 2.306 0.05 . 2 . . . . 53 Glu HG2 . 16357 1 638 . 1 1 53 53 GLU HG3 H 1 2.306 0.05 . 2 . . . . 53 Glu HG3 . 16357 1 639 . 1 1 53 53 GLU CA C 13 58.02 0.3 . 1 . . . . 53 Glu CA . 16357 1 640 . 1 1 53 53 GLU CB C 13 31.43 0.3 . 1 . . . . 53 Glu CB . 16357 1 641 . 1 1 53 53 GLU CG C 13 36.72 0.3 . 1 . . . . 53 Glu CG . 16357 1 642 . 1 1 53 53 GLU N N 15 125.725 0.3 . 1 . . . . 53 Glu N . 16357 1 643 . 1 1 54 54 MET HA H 1 4.562 0.05 . 1 . . . . 201 Met HA . 16357 1 644 . 1 1 54 54 MET HB2 H 1 2.060 0.05 . 2 . . . . 201 Met HB2 . 16357 1 645 . 1 1 54 54 MET HB3 H 1 2.147 0.05 . 2 . . . . 201 Met HB3 . 16357 1 646 . 1 1 54 54 MET HE1 H 1 2.166 0.05 . 1 . . . . 201 Met HE . 16357 1 647 . 1 1 54 54 MET HE2 H 1 2.166 0.05 . 1 . . . . 201 Met HE . 16357 1 648 . 1 1 54 54 MET HE3 H 1 2.166 0.05 . 1 . . . . 201 Met HE . 16357 1 649 . 1 1 54 54 MET HG2 H 1 2.53 0.05 . 2 . . . . 201 Met HG2 . 16357 1 650 . 1 1 54 54 MET HG3 H 1 2.61 0.05 . 2 . . . . 201 Met HG3 . 16357 1 651 . 1 1 54 54 MET C C 13 176.534 0.3 . 1 . . . . 201 Met C . 16357 1 652 . 1 1 54 54 MET CA C 13 55.75 0.3 . 1 . . . . 201 Met CA . 16357 1 653 . 1 1 54 54 MET CB C 13 33.026 0.3 . 1 . . . . 201 Met CB . 16357 1 654 . 1 1 54 54 MET CE C 13 17.265 0.3 . 1 . . . . 201 Met CE . 16357 1 655 . 1 1 54 54 MET CG C 13 32.138 0.3 . 1 . . . . 201 Met CG . 16357 1 656 . 1 1 55 55 VAL H H 1 8.215 0.05 . 1 . . . . 202 Val H . 16357 1 657 . 1 1 55 55 VAL HA H 1 4.189 0.05 . 1 . . . . 202 Val HA . 16357 1 658 . 1 1 55 55 VAL HB H 1 2.16 0.05 . 1 . . . . 202 Val HB . 16357 1 659 . 1 1 55 55 VAL HG11 H 1 1.037 0.05 . 2 . . . . 202 Val HG1 . 16357 1 660 . 1 1 55 55 VAL HG12 H 1 1.037 0.05 . 2 . . . . 202 Val HG1 . 16357 1 661 . 1 1 55 55 VAL HG13 H 1 1.037 0.05 . 2 . . . . 202 Val HG1 . 16357 1 662 . 1 1 55 55 VAL HG21 H 1 1.037 0.05 . 2 . . . . 202 Val HG2 . 16357 1 663 . 1 1 55 55 VAL HG22 H 1 1.037 0.05 . 2 . . . . 202 Val HG2 . 16357 1 664 . 1 1 55 55 VAL HG23 H 1 1.037 0.05 . 2 . . . . 202 Val HG2 . 16357 1 665 . 1 1 55 55 VAL C C 13 177.021 0.3 . 1 . . . . 202 Val C . 16357 1 666 . 1 1 55 55 VAL CA C 13 62.709 0.3 . 1 . . . . 202 Val CA . 16357 1 667 . 1 1 55 55 VAL CB C 13 32.822 0.3 . 1 . . . . 202 Val CB . 16357 1 668 . 1 1 55 55 VAL CG1 C 13 21.0 0.3 . 2 . . . . 202 Val CG1 . 16357 1 669 . 1 1 55 55 VAL CG2 C 13 21.0 0.3 . 2 . . . . 202 Val CG2 . 16357 1 670 . 1 1 55 55 VAL N N 15 121.358 0.3 . 1 . . . . 202 Val N . 16357 1 671 . 1 1 56 56 GLY H H 1 8.55 0.05 . 1 . . . . 203 Gly H . 16357 1 672 . 1 1 56 56 GLY HA2 H 1 4.051 0.05 . 2 . . . . 203 Gly HA2 . 16357 1 673 . 1 1 56 56 GLY HA3 H 1 4.05 0.05 . 2 . . . . 203 Gly HA3 . 16357 1 674 . 1 1 56 56 GLY CA C 13 45.39 0.3 . 1 . . . . 203 Gly CA . 16357 1 675 . 1 1 56 56 GLY N N 15 112.524 0.3 . 1 . . . . 203 Gly N . 16357 1 676 . 1 1 57 57 ARG H H 1 8.159 0.05 . 1 . . . . 204 Arg H . 16357 1 677 . 1 1 57 57 ARG HA H 1 4.44 0.05 . 1 . . . . 204 Arg HA . 16357 1 678 . 1 1 57 57 ARG HB2 H 1 1.900 0.05 . 2 . . . . 204 Arg HB2 . 16357 1 679 . 1 1 57 57 ARG HB3 H 1 1.838 0.05 . 2 . . . . 204 Arg HB3 . 16357 1 680 . 1 1 57 57 ARG HD2 H 1 3.224 0.05 . 2 . . . . 204 Arg HD2 . 16357 1 681 . 1 1 57 57 ARG HD3 H 1 3.224 0.05 . 2 . . . . 204 Arg HD3 . 16357 1 682 . 1 1 57 57 ARG HG2 H 1 1.665 0.05 . 2 . . . . 204 Arg HG2 . 16357 1 683 . 1 1 57 57 ARG HG3 H 1 1.665 0.05 . 2 . . . . 204 Arg HG3 . 16357 1 684 . 1 1 57 57 ARG C C 13 176.599 0.3 . 1 . . . . 204 Arg C . 16357 1 685 . 1 1 57 57 ARG CA C 13 55.82 0.3 . 1 . . . . 204 Arg CA . 16357 1 686 . 1 1 57 57 ARG CB C 13 31.179 0.3 . 1 . . . . 204 Arg CB . 16357 1 687 . 1 1 57 57 ARG CD C 13 43.419 0.3 . 1 . . . . 204 Arg CD . 16357 1 688 . 1 1 57 57 ARG CG C 13 27.15 0.3 . 1 . . . . 204 Arg CG . 16357 1 689 . 1 1 57 57 ARG N N 15 120.490 0.3 . 1 . . . . 204 Arg N . 16357 1 690 . 1 1 58 58 ARG H H 1 8.522 0.05 . 1 . . . . 205 Arg H . 16357 1 691 . 1 1 58 58 ARG HA H 1 4.594 0.05 . 1 . . . . 205 Arg HA . 16357 1 692 . 1 1 58 58 ARG HB2 H 1 2.007 0.05 . 2 . . . . 205 Arg HB2 . 16357 1 693 . 1 1 58 58 ARG HB3 H 1 2.081 0.05 . 2 . . . . 205 Arg HB3 . 16357 1 694 . 1 1 58 58 ARG HD2 H 1 3.354 0.05 . 2 . . . . 205 Arg HD2 . 16357 1 695 . 1 1 58 58 ARG CB C 13 29.728 0.3 . 1 . . . . 205 Arg CB . 16357 1 696 . 1 1 58 58 ARG CD C 13 43.676 0.3 . 1 . . . . 205 Arg CD . 16357 1 697 . 1 1 58 58 ARG CG C 13 26.489 0.3 . 1 . . . . 205 Arg CG . 16357 1 698 . 1 1 58 58 ARG N N 15 123.728 0.3 . 1 . . . . 205 Arg N . 16357 1 699 . 1 1 59 59 PRO HA H 1 4.550 0.05 . 1 . . . . 206 Pro HA . 16357 1 700 . 1 1 59 59 PRO HB2 H 1 2.054 0.05 . 2 . . . . 206 Pro HB2 . 16357 1 701 . 1 1 59 59 PRO HB3 H 1 2.408 0.05 . 2 . . . . 206 Pro HB3 . 16357 1 702 . 1 1 59 59 PRO HD2 H 1 4.330 0.05 . 2 . . . . 206 Pro HD2 . 16357 1 703 . 1 1 59 59 PRO HD3 H 1 4.204 0.05 . 2 . . . . 206 Pro HD3 . 16357 1 704 . 1 1 59 59 PRO HG2 H 1 2.05 0.05 . 2 . . . . 206 Pro HG2 . 16357 1 705 . 1 1 59 59 PRO HG3 H 1 2.05 0.05 . 2 . . . . 206 Pro HG3 . 16357 1 706 . 1 1 59 59 PRO C C 13 178.098 0.3 . 1 . . . . 206 Pro C . 16357 1 707 . 1 1 59 59 PRO CA C 13 63.632 0.3 . 1 . . . . 206 Pro CA . 16357 1 708 . 1 1 59 59 PRO CB C 13 32.259 0.3 . 1 . . . . 206 Pro CB . 16357 1 709 . 1 1 59 59 PRO CD C 13 50.879 0.3 . 1 . . . . 206 Pro CD . 16357 1 710 . 1 1 59 59 PRO CG C 13 27.751 0.3 . 1 . . . . 206 Pro CG . 16357 1 711 . 1 1 60 60 GLY H H 1 8.615 0.05 . 1 . . . . 207 Gly H . 16357 1 712 . 1 1 60 60 GLY HA2 H 1 4.09 0.05 . 2 . . . . 207 Gly HA2 . 16357 1 713 . 1 1 60 60 GLY HA3 H 1 4.09 0.05 . 2 . . . . 207 Gly HA3 . 16357 1 714 . 1 1 60 60 GLY C C 13 175.353 0.3 . 1 . . . . 207 Gly C . 16357 1 715 . 1 1 60 60 GLY CA C 13 45.26 0.3 . 1 . . . . 207 Gly CA . 16357 1 716 . 1 1 60 60 GLY N N 15 109.847 0.3 . 1 . . . . 207 Gly N . 16357 1 717 . 1 1 61 61 GLY H H 1 8.382 0.05 . 1 . . . . 208 Gly H . 16357 1 718 . 1 1 61 61 GLY HA2 H 1 4.07 0.05 . 2 . . . . 208 Gly HA2 . 16357 1 719 . 1 1 61 61 GLY HA3 H 1 4.13 0.05 . 2 . . . . 208 Gly HA3 . 16357 1 720 . 1 1 61 61 GLY C C 13 175.236 0.3 . 1 . . . . 208 Gly C . 16357 1 721 . 1 1 61 61 GLY CA C 13 45.46 0.3 . 1 . . . . 208 Gly CA . 16357 1 722 . 1 1 61 61 GLY N N 15 108.964 0.3 . 1 . . . . 208 Gly N . 16357 1 723 . 1 1 62 62 GLY H H 1 8.533 0.05 . 1 . . . . 209 Gly H . 16357 1 724 . 1 1 62 62 GLY HA2 H 1 4.03 0.05 . 2 . . . . 209 Gly HA2 . 16357 1 725 . 1 1 62 62 GLY HA3 H 1 4.03 0.05 . 2 . . . . 209 Gly HA3 . 16357 1 726 . 1 1 62 62 GLY CA C 13 45.5 0.3 . 1 . . . . 209 Gly CA . 16357 1 727 . 1 1 62 62 GLY N N 15 109.175 0.3 . 1 . . . . 209 Gly N . 16357 1 728 . 1 1 63 63 LEU H H 1 8.328 0.05 . 1 . . . . 210 Leu H . 16357 1 729 . 1 1 63 63 LEU HA H 1 4.312 0.05 . 1 . . . . 210 Leu HA . 16357 1 730 . 1 1 63 63 LEU HB2 H 1 1.762 0.05 . 2 . . . . 210 Leu HB2 . 16357 1 731 . 1 1 63 63 LEU HB3 H 1 1.647 0.05 . 2 . . . . 210 Leu HB3 . 16357 1 732 . 1 1 63 63 LEU HD11 H 1 0.98 0.05 . 2 . . . . 210 Leu HD1 . 16357 1 733 . 1 1 63 63 LEU HD12 H 1 0.98 0.05 . 2 . . . . 210 Leu HD1 . 16357 1 734 . 1 1 63 63 LEU HD13 H 1 0.98 0.05 . 2 . . . . 210 Leu HD1 . 16357 1 735 . 1 1 63 63 LEU HD21 H 1 0.907 0.05 . 2 . . . . 210 Leu HD2 . 16357 1 736 . 1 1 63 63 LEU HD22 H 1 0.907 0.05 . 2 . . . . 210 Leu HD2 . 16357 1 737 . 1 1 63 63 LEU HD23 H 1 0.907 0.05 . 2 . . . . 210 Leu HD2 . 16357 1 738 . 1 1 63 63 LEU HG H 1 1.712 0.05 . 1 . . . . 210 Leu HG . 16357 1 739 . 1 1 63 63 LEU CA C 13 56.244 0.3 . 1 . . . . 210 Leu CA . 16357 1 740 . 1 1 63 63 LEU CB C 13 42.353 0.3 . 1 . . . . 210 Leu CB . 16357 1 741 . 1 1 63 63 LEU CD1 C 13 25.09 0.3 . 2 . . . . 210 Leu CD1 . 16357 1 742 . 1 1 63 63 LEU CD2 C 13 23.3 0.3 . 2 . . . . 210 Leu CD2 . 16357 1 743 . 1 1 63 63 LEU CG C 13 27.117 0.3 . 1 . . . . 210 Leu CG . 16357 1 744 . 1 1 63 63 LEU N N 15 121.467 0.3 . 1 . . . . 210 Leu N . 16357 1 745 . 1 1 64 64 LYS H H 1 8.354 0.05 . 1 . . . . 211 Lys H . 16357 1 746 . 1 1 64 64 LYS HA H 1 4.415 0.05 . 1 . . . . 211 Lys HA . 16357 1 747 . 1 1 64 64 LYS HB2 H 1 1.93 0.05 . 2 . . . . 211 Lys HB2 . 16357 1 748 . 1 1 64 64 LYS HB3 H 1 1.99 0.05 . 2 . . . . 211 Lys HB3 . 16357 1 749 . 1 1 64 64 LYS HD2 H 1 1.778 0.05 . 2 . . . . 211 Lys HD2 . 16357 1 750 . 1 1 64 64 LYS HD3 H 1 1.778 0.05 . 2 . . . . 211 Lys HD3 . 16357 1 751 . 1 1 64 64 LYS HE2 H 1 3.08 0.05 . 2 . . . . 211 Lys HE2 . 16357 1 752 . 1 1 64 64 LYS HE3 H 1 3.080 0.05 . 2 . . . . 211 Lys HE3 . 16357 1 753 . 1 1 64 64 LYS HG2 H 1 1.550 0.05 . 2 . . . . 211 Lys HG2 . 16357 1 754 . 1 1 64 64 LYS HG3 H 1 1.550 0.05 . 2 . . . . 211 Lys HG3 . 16357 1 755 . 1 1 64 64 LYS CA C 13 57.220 0.3 . 1 . . . . 211 Lys CA . 16357 1 756 . 1 1 64 64 LYS CB C 13 32.929 0.3 . 1 . . . . 211 Lys CB . 16357 1 757 . 1 1 64 64 LYS CD C 13 29.350 0.3 . 1 . . . . 211 Lys CD . 16357 1 758 . 1 1 64 64 LYS CE C 13 42.421 0.3 . 1 . . . . 211 Lys CE . 16357 1 759 . 1 1 64 64 LYS CG C 13 24.870 0.3 . 1 . . . . 211 Lys CG . 16357 1 760 . 1 1 64 64 LYS N N 15 119.917 0.3 . 1 . . . . 211 Lys N . 16357 1 761 . 1 1 65 65 ASP H H 1 8.187 0.05 . 1 . . . . 212 Asp H . 16357 1 762 . 1 1 65 65 ASP HA H 1 4.85 0.05 . 1 . . . . 212 Asp HA . 16357 1 763 . 1 1 65 65 ASP HB2 H 1 2.86 0.05 . 2 . . . . 212 Asp HB2 . 16357 1 764 . 1 1 65 65 ASP HB3 H 1 3.01 0.05 . 2 . . . . 212 Asp HB3 . 16357 1 765 . 1 1 65 65 ASP C C 13 176.436 0.3 . 1 . . . . 212 Asp C . 16357 1 766 . 1 1 65 65 ASP CA C 13 54.4 0.3 . 1 . . . . 212 Asp CA . 16357 1 767 . 1 1 65 65 ASP CB C 13 41.82 0.3 . 1 . . . . 212 Asp CB . 16357 1 768 . 1 1 65 65 ASP N N 15 118.931 0.3 . 1 . . . . 212 Asp N . 16357 1 769 . 1 1 66 66 THR H H 1 7.615 0.05 . 1 . . . . 213 Thr H . 16357 1 770 . 1 1 66 66 THR HA H 1 4.256 0.05 . 1 . . . . 213 Thr HA . 16357 1 771 . 1 1 66 66 THR HB H 1 3.681 0.05 . 1 . . . . 213 Thr HB . 16357 1 772 . 1 1 66 66 THR HG21 H 1 0.317 0.05 . 1 . . . . 213 Thr HG2 . 16357 1 773 . 1 1 66 66 THR HG22 H 1 0.317 0.05 . 1 . . . . 213 Thr HG2 . 16357 1 774 . 1 1 66 66 THR HG23 H 1 0.317 0.05 . 1 . . . . 213 Thr HG2 . 16357 1 775 . 1 1 66 66 THR CA C 13 60.358 0.3 . 1 . . . . 213 Thr CA . 16357 1 776 . 1 1 66 66 THR CB C 13 72.453 0.3 . 1 . . . . 213 Thr CB . 16357 1 777 . 1 1 66 66 THR CG2 C 13 20.656 0.3 . 1 . . . . 213 Thr CG2 . 16357 1 778 . 1 1 66 66 THR N N 15 107.789 0.3 . 1 . . . . 213 Thr N . 16357 1 779 . 1 1 67 67 LYS H H 1 9.064 0.05 . 1 . . . . 214 Lys H . 16357 1 780 . 1 1 67 67 LYS HA H 1 4.952 0.05 . 1 . . . . 214 Lys HA . 16357 1 781 . 1 1 67 67 LYS HB2 H 1 1.909 0.05 . 2 . . . . 214 Lys HB2 . 16357 1 782 . 1 1 67 67 LYS HB3 H 1 1.657 0.05 . 2 . . . . 214 Lys HB3 . 16357 1 783 . 1 1 67 67 LYS HD2 H 1 1.780 0.05 . 2 . . . . 214 Lys HD2 . 16357 1 784 . 1 1 67 67 LYS HD3 H 1 1.775 0.05 . 2 . . . . 214 Lys HD3 . 16357 1 785 . 1 1 67 67 LYS HE2 H 1 3.119 0.05 . 2 . . . . 214 Lys HE2 . 16357 1 786 . 1 1 67 67 LYS HE3 H 1 3.059 0.05 . 2 . . . . 214 Lys HE3 . 16357 1 787 . 1 1 67 67 LYS HG2 H 1 1.563 0.05 . 2 . . . . 214 Lys HG2 . 16357 1 788 . 1 1 67 67 LYS HG3 H 1 1.465 0.05 . 2 . . . . 214 Lys HG3 . 16357 1 789 . 1 1 67 67 LYS CA C 13 52.486 0.3 . 1 . . . . 214 Lys CA . 16357 1 790 . 1 1 67 67 LYS CB C 13 34.372 0.3 . 1 . . . . 214 Lys CB . 16357 1 791 . 1 1 67 67 LYS CD C 13 29.114 0.3 . 1 . . . . 214 Lys CD . 16357 1 792 . 1 1 67 67 LYS CE C 13 42.416 0.3 . 1 . . . . 214 Lys CE . 16357 1 793 . 1 1 67 67 LYS CG C 13 24.732 0.3 . 1 . . . . 214 Lys CG . 16357 1 794 . 1 1 67 67 LYS N N 15 119.891 0.3 . 1 . . . . 214 Lys N . 16357 1 795 . 1 1 68 68 PRO HB2 H 1 1.867 0.05 . 2 . . . . 215 Pro HB2 . 16357 1 796 . 1 1 68 68 PRO HB3 H 1 1.932 0.05 . 2 . . . . 215 Pro HB3 . 16357 1 797 . 1 1 68 68 PRO HD2 H 1 3.747 0.05 . 2 . . . . 215 Pro HD2 . 16357 1 798 . 1 1 68 68 PRO HD3 H 1 3.861 0.05 . 2 . . . . 215 Pro HD3 . 16357 1 799 . 1 1 68 68 PRO HG2 H 1 2.325 0.05 . 2 . . . . 215 Pro HG2 . 16357 1 800 . 1 1 68 68 PRO HG3 H 1 2.130 0.05 . 2 . . . . 215 Pro HG3 . 16357 1 801 . 1 1 68 68 PRO C C 13 177.155 0.3 . 1 . . . . 215 Pro C . 16357 1 802 . 1 1 68 68 PRO CA C 13 62.351 0.3 . 1 . . . . 215 Pro CA . 16357 1 803 . 1 1 68 68 PRO CB C 13 33.036 0.3 . 1 . . . . 215 Pro CB . 16357 1 804 . 1 1 68 68 PRO CD C 13 50.446 0.3 . 1 . . . . 215 Pro CD . 16357 1 805 . 1 1 68 68 PRO CG C 13 26.933 0.3 . 1 . . . . 215 Pro CG . 16357 1 806 . 1 1 69 69 VAL H H 1 9.112 0.05 . 1 . . . . 216 Val H . 16357 1 807 . 1 1 69 69 VAL HA H 1 4.29 0.05 . 1 . . . . 216 Val HA . 16357 1 808 . 1 1 69 69 VAL HB H 1 2.054 0.05 . 1 . . . . 216 Val HB . 16357 1 809 . 1 1 69 69 VAL HG11 H 1 0.902 0.05 . 2 . . . . 216 Val HG1 . 16357 1 810 . 1 1 69 69 VAL HG12 H 1 0.902 0.05 . 2 . . . . 216 Val HG1 . 16357 1 811 . 1 1 69 69 VAL HG13 H 1 0.902 0.05 . 2 . . . . 216 Val HG1 . 16357 1 812 . 1 1 69 69 VAL HG21 H 1 0.865 0.05 . 2 . . . . 216 Val HG2 . 16357 1 813 . 1 1 69 69 VAL HG22 H 1 0.865 0.05 . 2 . . . . 216 Val HG2 . 16357 1 814 . 1 1 69 69 VAL HG23 H 1 0.865 0.05 . 2 . . . . 216 Val HG2 . 16357 1 815 . 1 1 69 69 VAL C C 13 174.696 0.3 . 1 . . . . 216 Val C . 16357 1 816 . 1 1 69 69 VAL CA C 13 61.845 0.3 . 1 . . . . 216 Val CA . 16357 1 817 . 1 1 69 69 VAL CB C 13 34.265 0.3 . 1 . . . . 216 Val CB . 16357 1 818 . 1 1 69 69 VAL CG1 C 13 21.088 0.3 . 2 . . . . 216 Val CG1 . 16357 1 819 . 1 1 69 69 VAL CG2 C 13 21.156 0.3 . 2 . . . . 216 Val CG2 . 16357 1 820 . 1 1 69 69 VAL N N 15 124.670 0.3 . 1 . . . . 216 Val N . 16357 1 821 . 1 1 70 70 VAL H H 1 8.338 0.05 . 1 . . . . 217 Val H . 16357 1 822 . 1 1 70 70 VAL HA H 1 4.496 0.05 . 1 . . . . 217 Val HA . 16357 1 823 . 1 1 70 70 VAL HB H 1 1.994 0.05 . 1 . . . . 217 Val HB . 16357 1 824 . 1 1 70 70 VAL HG11 H 1 0.830 0.05 . 2 . . . . 217 Val HG1 . 16357 1 825 . 1 1 70 70 VAL HG12 H 1 0.830 0.05 . 2 . . . . 217 Val HG1 . 16357 1 826 . 1 1 70 70 VAL HG13 H 1 0.830 0.05 . 2 . . . . 217 Val HG1 . 16357 1 827 . 1 1 70 70 VAL HG21 H 1 0.990 0.05 . 2 . . . . 217 Val HG2 . 16357 1 828 . 1 1 70 70 VAL HG22 H 1 0.990 0.05 . 2 . . . . 217 Val HG2 . 16357 1 829 . 1 1 70 70 VAL HG23 H 1 0.990 0.05 . 2 . . . . 217 Val HG2 . 16357 1 830 . 1 1 70 70 VAL C C 13 175.975 0.3 . 1 . . . . 217 Val C . 16357 1 831 . 1 1 70 70 VAL CA C 13 62.616 0.3 . 1 . . . . 217 Val CA . 16357 1 832 . 1 1 70 70 VAL CB C 13 32.841 0.3 . 1 . . . . 217 Val CB . 16357 1 833 . 1 1 70 70 VAL CG1 C 13 22.008 0.3 . 2 . . . . 217 Val CG1 . 16357 1 834 . 1 1 70 70 VAL CG2 C 13 21.976 0.3 . 2 . . . . 217 Val CG2 . 16357 1 835 . 1 1 70 70 VAL N N 15 125.650 0.3 . 1 . . . . 217 Val N . 16357 1 836 . 1 1 71 71 VAL H H 1 9.187 0.05 . 1 . . . . 218 Val H . 16357 1 837 . 1 1 71 71 VAL HA H 1 4.480 0.05 . 1 . . . . 218 Val HA . 16357 1 838 . 1 1 71 71 VAL HB H 1 1.949 0.05 . 1 . . . . 218 Val HB . 16357 1 839 . 1 1 71 71 VAL HG11 H 1 0.926 0.05 . 2 . . . . 218 Val HG1 . 16357 1 840 . 1 1 71 71 VAL HG12 H 1 0.926 0.05 . 2 . . . . 218 Val HG1 . 16357 1 841 . 1 1 71 71 VAL HG13 H 1 0.926 0.05 . 2 . . . . 218 Val HG1 . 16357 1 842 . 1 1 71 71 VAL HG21 H 1 0.985 0.05 . 2 . . . . 218 Val HG2 . 16357 1 843 . 1 1 71 71 VAL HG22 H 1 0.985 0.05 . 2 . . . . 218 Val HG2 . 16357 1 844 . 1 1 71 71 VAL HG23 H 1 0.985 0.05 . 2 . . . . 218 Val HG2 . 16357 1 845 . 1 1 71 71 VAL C C 13 174.240 0.3 . 1 . . . . 218 Val C . 16357 1 846 . 1 1 71 71 VAL CA C 13 59.832 0.3 . 1 . . . . 218 Val CA . 16357 1 847 . 1 1 71 71 VAL CB C 13 34.369 0.3 . 1 . . . . 218 Val CB . 16357 1 848 . 1 1 71 71 VAL CG1 C 13 20.135 0.3 . 2 . . . . 218 Val CG1 . 16357 1 849 . 1 1 71 71 VAL CG2 C 13 21.961 0.3 . 2 . . . . 218 Val CG2 . 16357 1 850 . 1 1 71 71 VAL N N 15 127.579 0.3 . 1 . . . . 218 Val N . 16357 1 851 . 1 1 72 72 ARG H H 1 8.173 0.05 . 1 . . . . 219 Arg H . 16357 1 852 . 1 1 72 72 ARG HA H 1 4.703 0.05 . 1 . . . . 219 Arg HA . 16357 1 853 . 1 1 72 72 ARG HB2 H 1 1.912 0.05 . 2 . . . . 219 Arg HB2 . 16357 1 854 . 1 1 72 72 ARG HB3 H 1 1.797 0.05 . 2 . . . . 219 Arg HB3 . 16357 1 855 . 1 1 72 72 ARG HD2 H 1 3.147 0.05 . 2 . . . . 219 Arg HD2 . 16357 1 856 . 1 1 72 72 ARG HG2 H 1 1.718 0.05 . 2 . . . . 219 Arg HG2 . 16357 1 857 . 1 1 72 72 ARG HG3 H 1 1.718 0.05 . 2 . . . . 219 Arg HG3 . 16357 1 858 . 1 1 72 72 ARG C C 13 175.687 0.3 . 1 . . . . 219 Arg C . 16357 1 859 . 1 1 72 72 ARG CA C 13 54.233 0.3 . 1 . . . . 219 Arg CA . 16357 1 860 . 1 1 72 72 ARG CB C 13 30.359 0.3 . 1 . . . . 219 Arg CB . 16357 1 861 . 1 1 72 72 ARG CD C 13 43.500 0.3 . 1 . . . . 219 Arg CD . 16357 1 862 . 1 1 72 72 ARG CG C 13 26.91 0.3 . 1 . . . . 219 Arg CG . 16357 1 863 . 1 1 72 72 ARG N N 15 125.708 0.3 . 1 . . . . 219 Arg N . 16357 1 864 . 1 1 73 73 LEU H H 1 8.255 0.05 . 1 . . . . 220 Leu H . 16357 1 865 . 1 1 73 73 LEU HB2 H 1 1.629 0.05 . 2 . . . . 220 Leu HB2 . 16357 1 866 . 1 1 73 73 LEU HB3 H 1 1.916 0.05 . 2 . . . . 220 Leu HB3 . 16357 1 867 . 1 1 73 73 LEU HD11 H 1 1.010 0.05 . 2 . . . . 220 Leu HD1 . 16357 1 868 . 1 1 73 73 LEU HD12 H 1 1.010 0.05 . 2 . . . . 220 Leu HD1 . 16357 1 869 . 1 1 73 73 LEU HD13 H 1 1.010 0.05 . 2 . . . . 220 Leu HD1 . 16357 1 870 . 1 1 73 73 LEU HD21 H 1 0.845 0.05 . 2 . . . . 220 Leu HD2 . 16357 1 871 . 1 1 73 73 LEU HD22 H 1 0.845 0.05 . 2 . . . . 220 Leu HD2 . 16357 1 872 . 1 1 73 73 LEU HD23 H 1 0.845 0.05 . 2 . . . . 220 Leu HD2 . 16357 1 873 . 1 1 73 73 LEU C C 13 176.680 0.3 . 1 . . . . 220 Leu C . 16357 1 874 . 1 1 73 73 LEU CA C 13 52.960 0.3 . 1 . . . . 220 Leu CA . 16357 1 875 . 1 1 73 73 LEU CB C 13 46.560 0.3 . 1 . . . . 220 Leu CB . 16357 1 876 . 1 1 73 73 LEU CD1 C 13 23.286 0.3 . 2 . . . . 220 Leu CD1 . 16357 1 877 . 1 1 73 73 LEU CD2 C 13 26.138 0.3 . 2 . . . . 220 Leu CD2 . 16357 1 878 . 1 1 73 73 LEU N N 15 122.019 0.3 . 1 . . . . 220 Leu N . 16357 1 879 . 1 1 74 74 TYR H H 1 8.915 0.05 . 1 . . . . 221 Tyr H . 16357 1 880 . 1 1 74 74 TYR HA H 1 4.65 0.05 . 1 . . . . 221 Tyr HA . 16357 1 881 . 1 1 74 74 TYR HB2 H 1 3.406 0.05 . 2 . . . . 221 Tyr HB2 . 16357 1 882 . 1 1 74 74 TYR HB3 H 1 2.604 0.05 . 2 . . . . 221 Tyr HB3 . 16357 1 883 . 1 1 74 74 TYR HD1 H 1 7.432 0.05 . 3 . . . . 221 Tyr HD1 . 16357 1 884 . 1 1 74 74 TYR HD2 H 1 7.432 0.05 . 3 . . . . 221 Tyr HD2 . 16357 1 885 . 1 1 74 74 TYR HE1 H 1 6.82 0.05 . 3 . . . . 221 Tyr HE1 . 16357 1 886 . 1 1 74 74 TYR HE2 H 1 6.82 0.05 . 3 . . . . 221 Tyr HE2 . 16357 1 887 . 1 1 74 74 TYR CA C 13 58.93 0.3 . 1 . . . . 221 Tyr CA . 16357 1 888 . 1 1 74 74 TYR CB C 13 37.2 0.3 . 1 . . . . 221 Tyr CB . 16357 1 889 . 1 1 74 74 TYR CD1 C 13 133.4 0.3 . 3 . . . . 221 Tyr CD1 . 16357 1 890 . 1 1 74 74 TYR CD2 C 13 133.4 0.3 . 3 . . . . 221 Tyr CD2 . 16357 1 891 . 1 1 74 74 TYR CE1 C 13 118.3 0.3 . 3 . . . . 221 Tyr CE1 . 16357 1 892 . 1 1 74 74 TYR CE2 C 13 118.3 0.3 . 3 . . . . 221 Tyr CE2 . 16357 1 893 . 1 1 74 74 TYR N N 15 120.637 0.3 . 1 . . . . 221 Tyr N . 16357 1 894 . 1 1 75 75 PRO HA H 1 4.295 0.05 . 1 . . . . 222 Pro HA . 16357 1 895 . 1 1 75 75 PRO HB2 H 1 2.479 0.05 . 2 . . . . 222 Pro HB2 . 16357 1 896 . 1 1 75 75 PRO HB3 H 1 2.05 0.05 . 2 . . . . 222 Pro HB3 . 16357 1 897 . 1 1 75 75 PRO HD2 H 1 3.747 0.05 . 2 . . . . 222 Pro HD2 . 16357 1 898 . 1 1 75 75 PRO HD3 H 1 3.945 0.05 . 2 . . . . 222 Pro HD3 . 16357 1 899 . 1 1 75 75 PRO HG2 H 1 2.527 0.05 . 2 . . . . 222 Pro HG2 . 16357 1 900 . 1 1 75 75 PRO HG3 H 1 2.117 0.05 . 2 . . . . 222 Pro HG3 . 16357 1 901 . 1 1 75 75 PRO C C 13 178.823 0.3 . 1 . . . . 222 Pro C . 16357 1 902 . 1 1 75 75 PRO CA C 13 67.002 0.3 . 1 . . . . 222 Pro CA . 16357 1 903 . 1 1 75 75 PRO CB C 13 32.334 0.3 . 1 . . . . 222 Pro CB . 16357 1 904 . 1 1 75 75 PRO CD C 13 51.15 0.3 . 1 . . . . 222 Pro CD . 16357 1 905 . 1 1 75 75 PRO CG C 13 28.589 0.3 . 1 . . . . 222 Pro CG . 16357 1 906 . 1 1 76 76 ASP H H 1 9.15 0.05 . 1 . . . . 223 Asp H . 16357 1 907 . 1 1 76 76 ASP HA H 1 4.50 0.05 . 1 . . . . 223 Asp HA . 16357 1 908 . 1 1 76 76 ASP HB2 H 1 2.86 0.05 . 2 . . . . 223 Asp HB2 . 16357 1 909 . 1 1 76 76 ASP HB3 H 1 2.723 0.05 . 2 . . . . 223 Asp HB3 . 16357 1 910 . 1 1 76 76 ASP C C 13 179.364 0.3 . 1 . . . . 223 Asp C . 16357 1 911 . 1 1 76 76 ASP CA C 13 56.871 0.3 . 1 . . . . 223 Asp CA . 16357 1 912 . 1 1 76 76 ASP CB C 13 39.34 0.3 . 1 . . . . 223 Asp CB . 16357 1 913 . 1 1 76 76 ASP N N 15 114.907 0.3 . 1 . . . . 223 Asp N . 16357 1 914 . 1 1 77 77 GLU H H 1 7.515 0.05 . 1 . . . . 224 Glu H . 16357 1 915 . 1 1 77 77 GLU HA H 1 4.11 0.05 . 1 . . . . 224 Glu HA . 16357 1 916 . 1 1 77 77 GLU HB2 H 1 1.87 0.05 . 2 . . . . 224 Glu HB2 . 16357 1 917 . 1 1 77 77 GLU HB3 H 1 1.84 0.05 . 2 . . . . 224 Glu HB3 . 16357 1 918 . 1 1 77 77 GLU HG2 H 1 2.42 0.05 . 2 . . . . 224 Glu HG2 . 16357 1 919 . 1 1 77 77 GLU HG3 H 1 2.42 0.05 . 2 . . . . 224 Glu HG3 . 16357 1 920 . 1 1 77 77 GLU C C 13 176.638 0.3 . 1 . . . . 224 Glu C . 16357 1 921 . 1 1 77 77 GLU CA C 13 58.5 0.3 . 1 . . . . 224 Glu CA . 16357 1 922 . 1 1 77 77 GLU CB C 13 29.4 0.3 . 1 . . . . 224 Glu CB . 16357 1 923 . 1 1 77 77 GLU CG C 13 36.88 0.3 . 1 . . . . 224 Glu CG . 16357 1 924 . 1 1 77 77 GLU N N 15 123.513 0.3 . 1 . . . . 224 Glu N . 16357 1 925 . 1 1 78 78 ILE H H 1 7.85 0.05 . 1 . . . . 225 Ile H . 16357 1 926 . 1 1 78 78 ILE HA H 1 3.605 0.05 . 1 . . . . 225 Ile HA . 16357 1 927 . 1 1 78 78 ILE HB H 1 2.071 0.05 . 1 . . . . 225 Ile HB . 16357 1 928 . 1 1 78 78 ILE HD11 H 1 0.85 0.05 . 1 . . . . 225 Ile HD1 . 16357 1 929 . 1 1 78 78 ILE HD12 H 1 0.85 0.05 . 1 . . . . 225 Ile HD1 . 16357 1 930 . 1 1 78 78 ILE HD13 H 1 0.85 0.05 . 1 . . . . 225 Ile HD1 . 16357 1 931 . 1 1 78 78 ILE HG12 H 1 1.796 0.05 . 2 . . . . 225 Ile HG12 . 16357 1 932 . 1 1 78 78 ILE HG13 H 1 0.859 0.05 . 2 . . . . 225 Ile HG13 . 16357 1 933 . 1 1 78 78 ILE HG21 H 1 0.98 0.05 . 1 . . . . 225 Ile HG2 . 16357 1 934 . 1 1 78 78 ILE HG22 H 1 0.98 0.05 . 1 . . . . 225 Ile HG2 . 16357 1 935 . 1 1 78 78 ILE HG23 H 1 0.98 0.05 . 1 . . . . 225 Ile HG2 . 16357 1 936 . 1 1 78 78 ILE C C 13 178.317 0.3 . 1 . . . . 225 Ile C . 16357 1 937 . 1 1 78 78 ILE CA C 13 66.024 0.3 . 1 . . . . 225 Ile CA . 16357 1 938 . 1 1 78 78 ILE CB C 13 37.613 0.3 . 1 . . . . 225 Ile CB . 16357 1 939 . 1 1 78 78 ILE CD1 C 13 13.64 0.3 . 1 . . . . 225 Ile CD1 . 16357 1 940 . 1 1 78 78 ILE CG1 C 13 30.95 0.3 . 1 . . . . 225 Ile CG1 . 16357 1 941 . 1 1 78 78 ILE CG2 C 13 17.32 0.3 . 1 . . . . 225 Ile CG2 . 16357 1 942 . 1 1 78 78 ILE N N 15 119.2 0.3 . 1 . . . . 225 Ile N . 16357 1 943 . 1 1 79 79 GLU H H 1 8.07 0.05 . 1 . . . . 226 Glu H . 16357 1 944 . 1 1 79 79 GLU HA H 1 4.056 0.05 . 1 . . . . 226 Glu HA . 16357 1 945 . 1 1 79 79 GLU HB2 H 1 2.165 0.05 . 2 . . . . 226 Glu HB2 . 16357 1 946 . 1 1 79 79 GLU HB3 H 1 2.167 0.05 . 2 . . . . 226 Glu HB3 . 16357 1 947 . 1 1 79 79 GLU HG2 H 1 2.457 0.05 . 2 . . . . 226 Glu HG2 . 16357 1 948 . 1 1 79 79 GLU HG3 H 1 2.457 0.05 . 2 . . . . 226 Glu HG3 . 16357 1 949 . 1 1 79 79 GLU C C 13 179.616 0.3 . 1 . . . . 226 Glu C . 16357 1 950 . 1 1 79 79 GLU CA C 13 59.550 0.3 . 1 . . . . 226 Glu CA . 16357 1 951 . 1 1 79 79 GLU CB C 13 29.411 0.3 . 1 . . . . 226 Glu CB . 16357 1 952 . 1 1 79 79 GLU CG C 13 36.011 0.3 . 1 . . . . 226 Glu CG . 16357 1 953 . 1 1 79 79 GLU N N 15 118.181 0.3 . 1 . . . . 226 Glu N . 16357 1 954 . 1 1 80 80 ALA H H 1 7.77 0.05 . 1 . . . . 227 Ala H . 16357 1 955 . 1 1 80 80 ALA HA H 1 4.26 0.05 . 1 . . . . 227 Ala HA . 16357 1 956 . 1 1 80 80 ALA HB1 H 1 1.656 0.05 . 1 . . . . 227 Ala HB . 16357 1 957 . 1 1 80 80 ALA HB2 H 1 1.656 0.05 . 1 . . . . 227 Ala HB . 16357 1 958 . 1 1 80 80 ALA HB3 H 1 1.656 0.05 . 1 . . . . 227 Ala HB . 16357 1 959 . 1 1 80 80 ALA CA C 13 55.27 0.3 . 1 . . . . 227 Ala CA . 16357 1 960 . 1 1 80 80 ALA CB C 13 18.527 0.3 . 1 . . . . 227 Ala CB . 16357 1 961 . 1 1 80 80 ALA N N 15 121.839 0.3 . 1 . . . . 227 Ala N . 16357 1 962 . 1 1 81 81 LEU H H 1 8.39 0.05 . 1 . . . . 228 Leu H . 16357 1 963 . 1 1 81 81 LEU HA H 1 4.126 0.05 . 1 . . . . 228 Leu HA . 16357 1 964 . 1 1 81 81 LEU HB2 H 1 1.958 0.05 . 2 . . . . 228 Leu HB2 . 16357 1 965 . 1 1 81 81 LEU HB3 H 1 1.817 0.05 . 2 . . . . 228 Leu HB3 . 16357 1 966 . 1 1 81 81 LEU HD11 H 1 1.031 0.05 . 2 . . . . 228 Leu HD1 . 16357 1 967 . 1 1 81 81 LEU HD12 H 1 1.031 0.05 . 2 . . . . 228 Leu HD1 . 16357 1 968 . 1 1 81 81 LEU HD13 H 1 1.031 0.05 . 2 . . . . 228 Leu HD1 . 16357 1 969 . 1 1 81 81 LEU HD21 H 1 1.093 0.05 . 2 . . . . 228 Leu HD2 . 16357 1 970 . 1 1 81 81 LEU HD22 H 1 1.093 0.05 . 2 . . . . 228 Leu HD2 . 16357 1 971 . 1 1 81 81 LEU HD23 H 1 1.093 0.05 . 2 . . . . 228 Leu HD2 . 16357 1 972 . 1 1 81 81 LEU HG H 1 1.771 0.05 . 1 . . . . 228 Leu HG . 16357 1 973 . 1 1 81 81 LEU C C 13 179.223 0.3 . 1 . . . . 228 Leu C . 16357 1 974 . 1 1 81 81 LEU CA C 13 58.251 0.3 . 1 . . . . 228 Leu CA . 16357 1 975 . 1 1 81 81 LEU CB C 13 42.454 0.3 . 1 . . . . 228 Leu CB . 16357 1 976 . 1 1 81 81 LEU CD1 C 13 25.302 0.3 . 1 . . . . 228 Leu CD1 . 16357 1 977 . 1 1 81 81 LEU CD2 C 13 24.676 0.3 . 1 . . . . 228 Leu CD2 . 16357 1 978 . 1 1 81 81 LEU CG C 13 27.2 0.3 . 1 . . . . 228 Leu CG . 16357 1 979 . 1 1 81 81 LEU N N 15 120.403 0.3 . 1 . . . . 228 Leu N . 16357 1 980 . 1 1 82 82 LYS H H 1 8.895 0.05 . 1 . . . . 229 Lys H . 16357 1 981 . 1 1 82 82 LYS HA H 1 3.858 0.05 . 1 . . . . 229 Lys HA . 16357 1 982 . 1 1 82 82 LYS HB2 H 1 1.994 0.05 . 2 . . . . 229 Lys HB2 . 16357 1 983 . 1 1 82 82 LYS HB3 H 1 1.994 0.05 . 2 . . . . 229 Lys HB3 . 16357 1 984 . 1 1 82 82 LYS HD2 H 1 1.785 0.05 . 2 . . . . 229 Lys HD2 . 16357 1 985 . 1 1 82 82 LYS HD3 H 1 1.745 0.05 . 2 . . . . 229 Lys HD3 . 16357 1 986 . 1 1 82 82 LYS HE2 H 1 2.985 0.05 . 2 . . . . 229 Lys HE2 . 16357 1 987 . 1 1 82 82 LYS HE3 H 1 3.073 0.05 . 2 . . . . 229 Lys HE3 . 16357 1 988 . 1 1 82 82 LYS HG2 H 1 1.519 0.05 . 2 . . . . 229 Lys HG2 . 16357 1 989 . 1 1 82 82 LYS HG3 H 1 1.754 0.05 . 2 . . . . 229 Lys HG3 . 16357 1 990 . 1 1 82 82 LYS C C 13 179.540 0.3 . 1 . . . . 229 Lys C . 16357 1 991 . 1 1 82 82 LYS CA C 13 60.333 0.3 . 1 . . . . 229 Lys CA . 16357 1 992 . 1 1 82 82 LYS CB C 13 32.712 0.3 . 1 . . . . 229 Lys CB . 16357 1 993 . 1 1 82 82 LYS CD C 13 29.875 0.3 . 1 . . . . 229 Lys CD . 16357 1 994 . 1 1 82 82 LYS CE C 13 42.050 0.3 . 1 . . . . 229 Lys CE . 16357 1 995 . 1 1 82 82 LYS CG C 13 26.135 0.3 . 1 . . . . 229 Lys CG . 16357 1 996 . 1 1 82 82 LYS N N 15 118.430 0.3 . 1 . . . . 229 Lys N . 16357 1 997 . 1 1 83 83 SER H H 1 7.558 0.05 . 1 . . . . 230 Ser H . 16357 1 998 . 1 1 83 83 SER HA H 1 4.383 0.05 . 1 . . . . 230 Ser HA . 16357 1 999 . 1 1 83 83 SER HB2 H 1 4.110 0.05 . 2 . . . . 230 Ser HB2 . 16357 1 1000 . 1 1 83 83 SER HB3 H 1 4.110 0.05 . 2 . . . . 230 Ser HB3 . 16357 1 1001 . 1 1 83 83 SER CA C 13 60.922 0.3 . 1 . . . . 230 Ser CA . 16357 1 1002 . 1 1 83 83 SER CB C 13 63.599 0.3 . 1 . . . . 230 Ser CB . 16357 1 1003 . 1 1 83 83 SER N N 15 111.985 0.3 . 1 . . . . 230 Ser N . 16357 1 1004 . 1 1 84 84 ARG H H 1 7.763 0.05 . 1 . . . . 231 Arg H . 16357 1 1005 . 1 1 84 84 ARG HA H 1 4.417 0.05 . 1 . . . . 231 Arg HA . 16357 1 1006 . 1 1 84 84 ARG HB2 H 1 1.925 0.05 . 2 . . . . 231 Arg HB2 . 16357 1 1007 . 1 1 84 84 ARG HB3 H 1 2.285 0.05 . 2 . . . . 231 Arg HB3 . 16357 1 1008 . 1 1 84 84 ARG HD2 H 1 3.209 0.05 . 2 . . . . 231 Arg HD2 . 16357 1 1009 . 1 1 84 84 ARG HD3 H 1 3.301 0.05 . 2 . . . . 231 Arg HD3 . 16357 1 1010 . 1 1 84 84 ARG HG2 H 1 1.829 0.05 . 2 . . . . 231 Arg HG2 . 16357 1 1011 . 1 1 84 84 ARG HG3 H 1 1.829 0.05 . 2 . . . . 231 Arg HG3 . 16357 1 1012 . 1 1 84 84 ARG CA C 13 55.41 0.3 . 1 . . . . 231 Arg CA . 16357 1 1013 . 1 1 84 84 ARG CB C 13 31.352 0.3 . 1 . . . . 231 Arg CB . 16357 1 1014 . 1 1 84 84 ARG CD C 13 43.052 0.3 . 1 . . . . 231 Arg CD . 16357 1 1015 . 1 1 84 84 ARG CG C 13 27.2 0.3 . 1 . . . . 231 Arg CG . 16357 1 1016 . 1 1 84 84 ARG N N 15 119.557 0.3 . 1 . . . . 231 Arg N . 16357 1 1017 . 1 1 85 85 VAL H H 1 7.034 0.05 . 1 . . . . 232 Val H . 16357 1 1018 . 1 1 85 85 VAL HA H 1 3.280 0.05 . 1 . . . . 232 Val HA . 16357 1 1019 . 1 1 85 85 VAL HB H 1 1.97 0.05 . 1 . . . . 232 Val HB . 16357 1 1020 . 1 1 85 85 VAL HG11 H 1 0.867 0.05 . 2 . . . . 232 Val HG1 . 16357 1 1021 . 1 1 85 85 VAL HG12 H 1 0.867 0.05 . 2 . . . . 232 Val HG1 . 16357 1 1022 . 1 1 85 85 VAL HG13 H 1 0.867 0.05 . 2 . . . . 232 Val HG1 . 16357 1 1023 . 1 1 85 85 VAL HG21 H 1 0.812 0.05 . 2 . . . . 232 Val HG2 . 16357 1 1024 . 1 1 85 85 VAL HG22 H 1 0.812 0.05 . 2 . . . . 232 Val HG2 . 16357 1 1025 . 1 1 85 85 VAL HG23 H 1 0.812 0.05 . 2 . . . . 232 Val HG2 . 16357 1 1026 . 1 1 85 85 VAL CA C 13 61.133 0.3 . 1 . . . . 232 Val CA . 16357 1 1027 . 1 1 85 85 VAL CB C 13 32.467 0.3 . 1 . . . . 232 Val CB . 16357 1 1028 . 1 1 85 85 VAL CG1 C 13 21.79 0.3 . 2 . . . . 232 Val CG1 . 16357 1 1029 . 1 1 85 85 VAL CG2 C 13 22.01 0.3 . 2 . . . . 232 Val CG2 . 16357 1 1030 . 1 1 85 85 VAL N N 15 121.674 0.3 . 1 . . . . 232 Val N . 16357 1 1031 . 1 1 86 86 PRO HA H 1 4.512 0.05 . 1 . . . . 233 Pro HA . 16357 1 1032 . 1 1 86 86 PRO HB2 H 1 2.488 0.05 . 2 . . . . 233 Pro HB2 . 16357 1 1033 . 1 1 86 86 PRO HB3 H 1 2.081 0.05 . 2 . . . . 233 Pro HB3 . 16357 1 1034 . 1 1 86 86 PRO HD2 H 1 4.053 0.05 . 2 . . . . 233 Pro HD2 . 16357 1 1035 . 1 1 86 86 PRO HD3 H 1 3.346 0.05 . 2 . . . . 233 Pro HD3 . 16357 1 1036 . 1 1 86 86 PRO HG2 H 1 2.11 0.05 . 2 . . . . 233 Pro HG2 . 16357 1 1037 . 1 1 86 86 PRO HG3 H 1 2.228 0.05 . 2 . . . . 233 Pro HG3 . 16357 1 1038 . 1 1 86 86 PRO CA C 13 62.841 0.3 . 1 . . . . 233 Pro CA . 16357 1 1039 . 1 1 86 86 PRO CB C 13 32.622 0.3 . 1 . . . . 233 Pro CB . 16357 1 1040 . 1 1 86 86 PRO CD C 13 51.690 0.3 . 1 . . . . 233 Pro CD . 16357 1 1041 . 1 1 86 86 PRO CG C 13 27.506 0.3 . 1 . . . . 233 Pro CG . 16357 1 1042 . 1 1 87 87 ALA H H 1 8.436 0.05 . 1 . . . . 234 Ala H . 16357 1 1043 . 1 1 87 87 ALA HA H 1 4.227 0.05 . 1 . . . . 234 Ala HA . 16357 1 1044 . 1 1 87 87 ALA HB1 H 1 1.490 0.05 . 1 . . . . 234 Ala HB . 16357 1 1045 . 1 1 87 87 ALA HB2 H 1 1.490 0.05 . 1 . . . . 234 Ala HB . 16357 1 1046 . 1 1 87 87 ALA HB3 H 1 1.490 0.05 . 1 . . . . 234 Ala HB . 16357 1 1047 . 1 1 87 87 ALA C C 13 179.218 0.3 . 1 . . . . 234 Ala C . 16357 1 1048 . 1 1 87 87 ALA CA C 13 53.93 0.3 . 1 . . . . 234 Ala CA . 16357 1 1049 . 1 1 87 87 ALA CB C 13 18.533 0.3 . 1 . . . . 234 Ala CB . 16357 1 1050 . 1 1 87 87 ALA N N 15 121.917 0.3 . 1 . . . . 234 Ala N . 16357 1 1051 . 1 1 88 88 ASN H H 1 8.684 0.05 . 1 . . . . 235 Asn H . 16357 1 1052 . 1 1 88 88 ASN HA H 1 4.594 0.05 . 1 . . . . 235 Asn HA . 16357 1 1053 . 1 1 88 88 ASN HB2 H 1 3.005 0.05 . 2 . . . . 235 Asn HB2 . 16357 1 1054 . 1 1 88 88 ASN HB3 H 1 3.12 0.05 . 2 . . . . 235 Asn HB3 . 16357 1 1055 . 1 1 88 88 ASN HD21 H 1 6.966 0.05 . 2 . . . . 235 Asn HD21 . 16357 1 1056 . 1 1 88 88 ASN HD22 H 1 7.685 0.05 . 2 . . . . 235 Asn HD22 . 16357 1 1057 . 1 1 88 88 ASN C C 13 174.797 0.3 . 1 . . . . 235 Asn C . 16357 1 1058 . 1 1 88 88 ASN CA C 13 54.245 0.3 . 1 . . . . 235 Asn CA . 16357 1 1059 . 1 1 88 88 ASN CB C 13 37.830 0.3 . 1 . . . . 235 Asn CB . 16357 1 1060 . 1 1 88 88 ASN N N 15 114.379 0.3 . 1 . . . . 235 Asn N . 16357 1 1061 . 1 1 88 88 ASN ND2 N 15 113.1 0.3 . 1 . . . . 235 Asn ND2 . 16357 1 1062 . 1 1 89 89 THR H H 1 7.730 0.05 . 1 . . . . 236 Thr H . 16357 1 1063 . 1 1 89 89 THR HA H 1 4.635 0.05 . 1 . . . . 236 Thr HA . 16357 1 1064 . 1 1 89 89 THR HB H 1 4.121 0.05 . 1 . . . . 236 Thr HB . 16357 1 1065 . 1 1 89 89 THR HG21 H 1 1.469 0.05 . 1 . . . . 236 Thr HG2 . 16357 1 1066 . 1 1 89 89 THR HG22 H 1 1.469 0.05 . 1 . . . . 236 Thr HG2 . 16357 1 1067 . 1 1 89 89 THR HG23 H 1 1.469 0.05 . 1 . . . . 236 Thr HG2 . 16357 1 1068 . 1 1 89 89 THR CA C 13 61.487 0.3 . 1 . . . . 236 Thr CA . 16357 1 1069 . 1 1 89 89 THR CB C 13 71.101 0.3 . 1 . . . . 236 Thr CB . 16357 1 1070 . 1 1 89 89 THR CG2 C 13 20.573 0.3 . 1 . . . . 236 Thr CG2 . 16357 1 1071 . 1 1 89 89 THR N N 15 114.490 0.3 . 1 . . . . 236 Thr N . 16357 1 1072 . 1 1 90 90 SER H H 1 8.622 0.05 . 1 . . . . 237 Ser H . 16357 1 1073 . 1 1 90 90 SER HA H 1 4.664 0.05 . 1 . . . . 237 Ser HA . 16357 1 1074 . 1 1 90 90 SER HB2 H 1 4.476 0.05 . 2 . . . . 237 Ser HB2 . 16357 1 1075 . 1 1 90 90 SER HB3 H 1 4.141 0.05 . 2 . . . . 237 Ser HB3 . 16357 1 1076 . 1 1 90 90 SER CA C 13 56.974 0.3 . 1 . . . . 237 Ser CA . 16357 1 1077 . 1 1 90 90 SER CB C 13 65.755 0.3 . 1 . . . . 237 Ser CB . 16357 1 1078 . 1 1 90 90 SER N N 15 119.067 0.3 . 1 . . . . 237 Ser N . 16357 1 1079 . 1 1 91 91 MET H H 1 9.125 0.05 . 1 . . . . 238 Met H . 16357 1 1080 . 1 1 91 91 MET HA H 1 4.235 0.05 . 1 . . . . 238 Met HA . 16357 1 1081 . 1 1 91 91 MET HB2 H 1 2.21 0.05 . 2 . . . . 238 Met HB2 . 16357 1 1082 . 1 1 91 91 MET HB3 H 1 2.589 0.05 . 2 . . . . 238 Met HB3 . 16357 1 1083 . 1 1 91 91 MET HE1 H 1 2.233 0.05 . 1 . . . . 238 Met HE . 16357 1 1084 . 1 1 91 91 MET HE2 H 1 2.233 0.05 . 1 . . . . 238 Met HE . 16357 1 1085 . 1 1 91 91 MET HE3 H 1 2.233 0.05 . 1 . . . . 238 Met HE . 16357 1 1086 . 1 1 91 91 MET C C 13 178.508 0.3 . 1 . . . . 238 Met C . 16357 1 1087 . 1 1 91 91 MET CA C 13 59.967 0.3 . 1 . . . . 238 Met CA . 16357 1 1088 . 1 1 91 91 MET CB C 13 32.376 0.3 . 1 . . . . 238 Met CB . 16357 1 1089 . 1 1 91 91 MET CE C 13 16.866 0.3 . 1 . . . . 238 Met CE . 16357 1 1090 . 1 1 91 91 MET N N 15 122.400 0.3 . 1 . . . . 238 Met N . 16357 1 1091 . 1 1 92 92 SER H H 1 8.626 0.05 . 1 . . . . 239 Ser H . 16357 1 1092 . 1 1 92 92 SER HA H 1 4.18 0.05 . 1 . . . . 239 Ser HA . 16357 1 1093 . 1 1 92 92 SER HB2 H 1 4.212 0.05 . 2 . . . . 239 Ser HB2 . 16357 1 1094 . 1 1 92 92 SER HB3 H 1 4.076 0.05 . 2 . . . . 239 Ser HB3 . 16357 1 1095 . 1 1 92 92 SER C C 13 177.583 0.3 . 1 . . . . 239 Ser C . 16357 1 1096 . 1 1 92 92 SER CA C 13 62.0 0.3 . 1 . . . . 239 Ser CA . 16357 1 1097 . 1 1 92 92 SER CB C 13 63.51 0.3 . 1 . . . . 239 Ser CB . 16357 1 1098 . 1 1 92 92 SER N N 15 112.404 0.3 . 1 . . . . 239 Ser N . 16357 1 1099 . 1 1 93 93 ALA H H 1 8.134 0.05 . 1 . . . . 240 Ala H . 16357 1 1100 . 1 1 93 93 ALA HA H 1 4.289 0.05 . 1 . . . . 240 Ala HA . 16357 1 1101 . 1 1 93 93 ALA HB1 H 1 1.700 0.05 . 1 . . . . 240 Ala HB . 16357 1 1102 . 1 1 93 93 ALA HB2 H 1 1.700 0.05 . 1 . . . . 240 Ala HB . 16357 1 1103 . 1 1 93 93 ALA HB3 H 1 1.700 0.05 . 1 . . . . 240 Ala HB . 16357 1 1104 . 1 1 93 93 ALA CA C 13 55.240 0.3 . 1 . . . . 240 Ala CA . 16357 1 1105 . 1 1 93 93 ALA CB C 13 18.761 0.3 . 1 . . . . 240 Ala CB . 16357 1 1106 . 1 1 93 93 ALA N N 15 122.445 0.3 . 1 . . . . 240 Ala N . 16357 1 1107 . 1 1 94 94 TYR H H 1 8.480 0.05 . 1 . . . . 241 Tyr H . 16357 1 1108 . 1 1 94 94 TYR HA H 1 4.29 0.05 . 1 . . . . 241 Tyr HA . 16357 1 1109 . 1 1 94 94 TYR HB2 H 1 3.251 0.05 . 2 . . . . 241 Tyr HB2 . 16357 1 1110 . 1 1 94 94 TYR HB3 H 1 3.250 0.05 . 2 . . . . 241 Tyr HB3 . 16357 1 1111 . 1 1 94 94 TYR HD1 H 1 6.99 0.05 . 3 . . . . 241 Tyr HD1 . 16357 1 1112 . 1 1 94 94 TYR HD2 H 1 6.99 0.05 . 3 . . . . 241 Tyr HD2 . 16357 1 1113 . 1 1 94 94 TYR HE1 H 1 6.798 0.05 . 3 . . . . 241 Tyr HE1 . 16357 1 1114 . 1 1 94 94 TYR HE2 H 1 6.798 0.05 . 3 . . . . 241 Tyr HE2 . 16357 1 1115 . 1 1 94 94 TYR C C 13 177.802 0.3 . 1 . . . . 241 Tyr C . 16357 1 1116 . 1 1 94 94 TYR CA C 13 62.030 0.3 . 1 . . . . 241 Tyr CA . 16357 1 1117 . 1 1 94 94 TYR CB C 13 39.893 0.3 . 1 . . . . 241 Tyr CB . 16357 1 1118 . 1 1 94 94 TYR CD1 C 13 132.7 0.3 . 3 . . . . 241 Tyr CD1 . 16357 1 1119 . 1 1 94 94 TYR CD2 C 13 132.7 0.3 . 3 . . . . 241 Tyr CD2 . 16357 1 1120 . 1 1 94 94 TYR CE1 C 13 119.0 0.3 . 3 . . . . 241 Tyr CE1 . 16357 1 1121 . 1 1 94 94 TYR CE2 C 13 119.0 0.3 . 3 . . . . 241 Tyr CE2 . 16357 1 1122 . 1 1 94 94 TYR N N 15 121.110 0.3 . 1 . . . . 241 Tyr N . 16357 1 1123 . 1 1 95 95 ILE H H 1 8.726 0.05 . 1 . . . . 242 Ile H . 16357 1 1124 . 1 1 95 95 ILE HA H 1 3.501 0.05 . 1 . . . . 242 Ile HA . 16357 1 1125 . 1 1 95 95 ILE HB H 1 1.950 0.05 . 1 . . . . 242 Ile HB . 16357 1 1126 . 1 1 95 95 ILE HD11 H 1 0.803 0.05 . 1 . . . . 242 Ile HD1 . 16357 1 1127 . 1 1 95 95 ILE HD12 H 1 0.803 0.05 . 1 . . . . 242 Ile HD1 . 16357 1 1128 . 1 1 95 95 ILE HD13 H 1 0.803 0.05 . 1 . . . . 242 Ile HD1 . 16357 1 1129 . 1 1 95 95 ILE HG12 H 1 2.227 0.05 . 2 . . . . 242 Ile HG12 . 16357 1 1130 . 1 1 95 95 ILE HG13 H 1 0.808 0.05 . 2 . . . . 242 Ile HG13 . 16357 1 1131 . 1 1 95 95 ILE HG21 H 1 0.875 0.05 . 1 . . . . 242 Ile HG2 . 16357 1 1132 . 1 1 95 95 ILE HG22 H 1 0.875 0.05 . 1 . . . . 242 Ile HG2 . 16357 1 1133 . 1 1 95 95 ILE HG23 H 1 0.875 0.05 . 1 . . . . 242 Ile HG2 . 16357 1 1134 . 1 1 95 95 ILE C C 13 178.148 0.3 . 1 . . . . 242 Ile C . 16357 1 1135 . 1 1 95 95 ILE CA C 13 66.02 0.3 . 1 . . . . 242 Ile CA . 16357 1 1136 . 1 1 95 95 ILE CB C 13 37.624 0.3 . 1 . . . . 242 Ile CB . 16357 1 1137 . 1 1 95 95 ILE CD1 C 13 14.07 0.3 . 1 . . . . 242 Ile CD1 . 16357 1 1138 . 1 1 95 95 ILE CG1 C 13 29.985 0.3 . 1 . . . . 242 Ile CG1 . 16357 1 1139 . 1 1 95 95 ILE CG2 C 13 18.327 0.3 . 1 . . . . 242 Ile CG2 . 16357 1 1140 . 1 1 95 95 ILE N N 15 118.174 0.3 . 1 . . . . 242 Ile N . 16357 1 1141 . 1 1 96 96 ARG H H 1 8.52 0.05 . 1 . . . . 243 Arg H . 16357 1 1142 . 1 1 96 96 ARG HA H 1 3.77 0.05 . 1 . . . . 243 Arg HA . 16357 1 1143 . 1 1 96 96 ARG HB2 H 1 1.746 0.05 . 2 . . . . 243 Arg HB2 . 16357 1 1144 . 1 1 96 96 ARG HB3 H 1 2.11 0.05 . 2 . . . . 243 Arg HB3 . 16357 1 1145 . 1 1 96 96 ARG HG2 H 1 1.716 0.05 . 2 . . . . 243 Arg HG2 . 16357 1 1146 . 1 1 96 96 ARG HG3 H 1 1.716 0.05 . 2 . . . . 243 Arg HG3 . 16357 1 1147 . 1 1 96 96 ARG C C 13 177.081 0.3 . 1 . . . . 243 Arg C . 16357 1 1148 . 1 1 96 96 ARG CA C 13 60.97 0.3 . 1 . . . . 243 Arg CA . 16357 1 1149 . 1 1 96 96 ARG CB C 13 28.36 0.3 . 1 . . . . 243 Arg CB . 16357 1 1150 . 1 1 96 96 ARG CD C 13 43.059 0.3 . 1 . . . . 243 Arg CD . 16357 1 1151 . 1 1 96 96 ARG N N 15 120.141 0.3 . 1 . . . . 243 Arg N . 16357 1 1152 . 1 1 97 97 ARG H H 1 7.668 0.05 . 1 . . . . 244 Arg H . 16357 1 1153 . 1 1 97 97 ARG HA H 1 3.956 0.05 . 1 . . . . 244 Arg HA . 16357 1 1154 . 1 1 97 97 ARG HB2 H 1 2.06 0.05 . 2 . . . . 244 Arg HB2 . 16357 1 1155 . 1 1 97 97 ARG HB3 H 1 1.98 0.05 . 2 . . . . 244 Arg HB3 . 16357 1 1156 . 1 1 97 97 ARG HD2 H 1 3.245 0.05 . 2 . . . . 244 Arg HD2 . 16357 1 1157 . 1 1 97 97 ARG HD3 H 1 3.35 0.05 . 2 . . . . 244 Arg HD3 . 16357 1 1158 . 1 1 97 97 ARG HG2 H 1 1.762 0.05 . 2 . . . . 244 Arg HG2 . 16357 1 1159 . 1 1 97 97 ARG HG3 H 1 1.762 0.05 . 2 . . . . 244 Arg HG3 . 16357 1 1160 . 1 1 97 97 ARG C C 13 178.607 0.3 . 1 . . . . 244 Arg C . 16357 1 1161 . 1 1 97 97 ARG CA C 13 59.609 0.3 . 1 . . . . 244 Arg CA . 16357 1 1162 . 1 1 97 97 ARG CB C 13 29.760 0.3 . 1 . . . . 244 Arg CB . 16357 1 1163 . 1 1 97 97 ARG CD C 13 43.787 0.3 . 1 . . . . 244 Arg CD . 16357 1 1164 . 1 1 97 97 ARG CG C 13 26.530 0.3 . 1 . . . . 244 Arg CG . 16357 1 1165 . 1 1 97 97 ARG N N 15 118.718 0.3 . 1 . . . . 244 Arg N . 16357 1 1166 . 1 1 98 98 ILE H H 1 7.693 0.05 . 1 . . . . 245 Ile H . 16357 1 1167 . 1 1 98 98 ILE HA H 1 3.612 0.05 . 1 . . . . 245 Ile HA . 16357 1 1168 . 1 1 98 98 ILE HB H 1 1.884 0.05 . 1 . . . . 245 Ile HB . 16357 1 1169 . 1 1 98 98 ILE HD11 H 1 0.388 0.05 . 1 . . . . 245 Ile HD1 . 16357 1 1170 . 1 1 98 98 ILE HD12 H 1 0.388 0.05 . 1 . . . . 245 Ile HD1 . 16357 1 1171 . 1 1 98 98 ILE HD13 H 1 0.388 0.05 . 1 . . . . 245 Ile HD1 . 16357 1 1172 . 1 1 98 98 ILE HG12 H 1 1.156 0.05 . 2 . . . . 245 Ile HG12 . 16357 1 1173 . 1 1 98 98 ILE HG13 H 1 0.398 0.05 . 2 . . . . 245 Ile HG13 . 16357 1 1174 . 1 1 98 98 ILE HG21 H 1 0.576 0.05 . 1 . . . . 245 Ile HG2 . 16357 1 1175 . 1 1 98 98 ILE HG22 H 1 0.576 0.05 . 1 . . . . 245 Ile HG2 . 16357 1 1176 . 1 1 98 98 ILE HG23 H 1 0.576 0.05 . 1 . . . . 245 Ile HG2 . 16357 1 1177 . 1 1 98 98 ILE C C 13 175.056 0.3 . 1 . . . . 245 Ile C . 16357 1 1178 . 1 1 98 98 ILE CA C 13 65.095 0.3 . 1 . . . . 245 Ile CA . 16357 1 1179 . 1 1 98 98 ILE CB C 13 37.634 0.3 . 1 . . . . 245 Ile CB . 16357 1 1180 . 1 1 98 98 ILE CD1 C 13 13.836 0.3 . 1 . . . . 245 Ile CD1 . 16357 1 1181 . 1 1 98 98 ILE CG1 C 13 27.38 0.3 . 1 . . . . 245 Ile CG1 . 16357 1 1182 . 1 1 98 98 ILE CG2 C 13 17.699 0.3 . 1 . . . . 245 Ile CG2 . 16357 1 1183 . 1 1 98 98 ILE N N 15 118.487 0.3 . 1 . . . . 245 Ile N . 16357 1 1184 . 1 1 99 99 ILE H H 1 8.405 0.05 . 1 . . . . 246 Ile H . 16357 1 1185 . 1 1 99 99 ILE HA H 1 3.625 0.05 . 1 . . . . 246 Ile HA . 16357 1 1186 . 1 1 99 99 ILE HB H 1 2.196 0.05 . 1 . . . . 246 Ile HB . 16357 1 1187 . 1 1 99 99 ILE HD11 H 1 0.925 0.05 . 1 . . . . 246 Ile HD1 . 16357 1 1188 . 1 1 99 99 ILE HD12 H 1 0.925 0.05 . 1 . . . . 246 Ile HD1 . 16357 1 1189 . 1 1 99 99 ILE HD13 H 1 0.925 0.05 . 1 . . . . 246 Ile HD1 . 16357 1 1190 . 1 1 99 99 ILE HG12 H 1 1.943 0.05 . 2 . . . . 246 Ile HG12 . 16357 1 1191 . 1 1 99 99 ILE HG13 H 1 0.931 0.05 . 2 . . . . 246 Ile HG13 . 16357 1 1192 . 1 1 99 99 ILE HG21 H 1 0.993 0.05 . 1 . . . . 246 Ile HG2 . 16357 1 1193 . 1 1 99 99 ILE HG22 H 1 0.993 0.05 . 1 . . . . 246 Ile HG2 . 16357 1 1194 . 1 1 99 99 ILE HG23 H 1 0.993 0.05 . 1 . . . . 246 Ile HG2 . 16357 1 1195 . 1 1 99 99 ILE C C 13 178.004 0.3 . 1 . . . . 246 Ile C . 16357 1 1196 . 1 1 99 99 ILE CA C 13 66.129 0.3 . 1 . . . . 246 Ile CA . 16357 1 1197 . 1 1 99 99 ILE CB C 13 38.012 0.3 . 1 . . . . 246 Ile CB . 16357 1 1198 . 1 1 99 99 ILE CD1 C 13 15.948 0.3 . 1 . . . . 246 Ile CD1 . 16357 1 1199 . 1 1 99 99 ILE CG1 C 13 29.426 0.3 . 1 . . . . 246 Ile CG1 . 16357 1 1200 . 1 1 99 99 ILE CG2 C 13 17.660 0.3 . 1 . . . . 246 Ile CG2 . 16357 1 1201 . 1 1 99 99 ILE N N 15 122.0 0.3 . 1 . . . . 246 Ile N . 16357 1 1202 . 1 1 100 100 LEU H H 1 8.935 0.05 . 1 . . . . 247 Leu H . 16357 1 1203 . 1 1 100 100 LEU HA H 1 4.054 0.05 . 1 . . . . 247 Leu HA . 16357 1 1204 . 1 1 100 100 LEU HB2 H 1 1.56 0.05 . 2 . . . . 247 Leu HB2 . 16357 1 1205 . 1 1 100 100 LEU HB3 H 1 1.929 0.05 . 2 . . . . 247 Leu HB3 . 16357 1 1206 . 1 1 100 100 LEU HD11 H 1 0.937 0.05 . 2 . . . . 247 Leu HD1 . 16357 1 1207 . 1 1 100 100 LEU HD12 H 1 0.937 0.05 . 2 . . . . 247 Leu HD1 . 16357 1 1208 . 1 1 100 100 LEU HD13 H 1 0.937 0.05 . 2 . . . . 247 Leu HD1 . 16357 1 1209 . 1 1 100 100 LEU HD21 H 1 0.948 0.05 . 2 . . . . 247 Leu HD2 . 16357 1 1210 . 1 1 100 100 LEU HD22 H 1 0.948 0.05 . 2 . . . . 247 Leu HD2 . 16357 1 1211 . 1 1 100 100 LEU HD23 H 1 0.948 0.05 . 2 . . . . 247 Leu HD2 . 16357 1 1212 . 1 1 100 100 LEU HG H 1 2.009 0.05 . 1 . . . . 247 Leu HG . 16357 1 1213 . 1 1 100 100 LEU C C 13 180.461 0.3 . 1 . . . . 247 Leu C . 16357 1 1214 . 1 1 100 100 LEU CA C 13 58.596 0.3 . 1 . . . . 247 Leu CA . 16357 1 1215 . 1 1 100 100 LEU CB C 13 40.633 0.3 . 1 . . . . 247 Leu CB . 16357 1 1216 . 1 1 100 100 LEU CD1 C 13 24.895 0.3 . 2 . . . . 247 Leu CD1 . 16357 1 1217 . 1 1 100 100 LEU CD2 C 13 21.560 0.3 . 2 . . . . 247 Leu CD2 . 16357 1 1218 . 1 1 100 100 LEU CG C 13 26.917 0.3 . 1 . . . . 247 Leu CG . 16357 1 1219 . 1 1 100 100 LEU N N 15 120.336 0.3 . 1 . . . . 247 Leu N . 16357 1 1220 . 1 1 101 101 ASN H H 1 8.34 0.05 . 1 . . . . 248 Asn H . 16357 1 1221 . 1 1 101 101 ASN HA H 1 4.524 0.05 . 1 . . . . 248 Asn HA . 16357 1 1222 . 1 1 101 101 ASN HB2 H 1 2.912 0.05 . 2 . . . . 248 Asn HB2 . 16357 1 1223 . 1 1 101 101 ASN HB3 H 1 2.95 0.05 . 2 . . . . 248 Asn HB3 . 16357 1 1224 . 1 1 101 101 ASN HD21 H 1 6.915 0.05 . 2 . . . . 248 Asn HD21 . 16357 1 1225 . 1 1 101 101 ASN HD22 H 1 7.787 0.05 . 2 . . . . 248 Asn HD22 . 16357 1 1226 . 1 1 101 101 ASN C C 13 178.720 0.3 . 1 . . . . 248 Asn C . 16357 1 1227 . 1 1 101 101 ASN CA C 13 56.083 0.3 . 1 . . . . 248 Asn CA . 16357 1 1228 . 1 1 101 101 ASN CB C 13 38.129 0.3 . 1 . . . . 248 Asn CB . 16357 1 1229 . 1 1 101 101 ASN N N 15 117.516 0.3 . 1 . . . . 248 Asn N . 16357 1 1230 . 1 1 101 101 ASN ND2 N 15 111.00 0.3 . 1 . . . . 248 Asn ND2 . 16357 1 1231 . 1 1 102 102 HIS H H 1 7.85 0.05 . 1 . . . . 249 His H . 16357 1 1232 . 1 1 102 102 HIS HA H 1 4.544 0.05 . 1 . . . . 249 His HA . 16357 1 1233 . 1 1 102 102 HIS HB2 H 1 3.218 0.05 . 2 . . . . 249 His HB2 . 16357 1 1234 . 1 1 102 102 HIS HB3 H 1 3.714 0.05 . 2 . . . . 249 His HB3 . 16357 1 1235 . 1 1 102 102 HIS HD2 H 1 6.727 0.05 . 1 . . . . 249 His HD2 . 16357 1 1236 . 1 1 102 102 HIS C C 13 177.294 0.3 . 1 . . . . 249 His C . 16357 1 1237 . 1 1 102 102 HIS CA C 13 59.101 0.3 . 1 . . . . 249 His CA . 16357 1 1238 . 1 1 102 102 HIS CB C 13 29.310 0.3 . 1 . . . . 249 His CB . 16357 1 1239 . 1 1 102 102 HIS CD2 C 13 123.4 0.3 . 1 . . . . 249 His CD2 . 16357 1 1240 . 1 1 102 102 HIS N N 15 119.315 0.3 . 1 . . . . 249 His N . 16357 1 1241 . 1 1 103 103 LEU H H 1 8.196 0.05 . 1 . . . . 250 Leu H . 16357 1 1242 . 1 1 103 103 LEU HA H 1 4.055 0.05 . 1 . . . . 250 Leu HA . 16357 1 1243 . 1 1 103 103 LEU HB2 H 1 1.617 0.05 . 2 . . . . 250 Leu HB2 . 16357 1 1244 . 1 1 103 103 LEU HB3 H 1 2.069 0.05 . 2 . . . . 250 Leu HB3 . 16357 1 1245 . 1 1 103 103 LEU HD11 H 1 0.89 0.05 . 2 . . . . 250 Leu HD1 . 16357 1 1246 . 1 1 103 103 LEU HD12 H 1 0.89 0.05 . 2 . . . . 250 Leu HD1 . 16357 1 1247 . 1 1 103 103 LEU HD13 H 1 0.89 0.05 . 2 . . . . 250 Leu HD1 . 16357 1 1248 . 1 1 103 103 LEU HD21 H 1 1.000 0.05 . 2 . . . . 250 Leu HD2 . 16357 1 1249 . 1 1 103 103 LEU HD22 H 1 1.000 0.05 . 2 . . . . 250 Leu HD2 . 16357 1 1250 . 1 1 103 103 LEU HD23 H 1 1.000 0.05 . 2 . . . . 250 Leu HD2 . 16357 1 1251 . 1 1 103 103 LEU C C 13 178.471 0.3 . 1 . . . . 250 Leu C . 16357 1 1252 . 1 1 103 103 LEU CA C 13 56.577 0.3 . 1 . . . . 250 Leu CA . 16357 1 1253 . 1 1 103 103 LEU CB C 13 42.060 0.3 . 1 . . . . 250 Leu CB . 16357 1 1254 . 1 1 103 103 LEU CD1 C 13 22.47 0.3 . 2 . . . . 250 Leu CD1 . 16357 1 1255 . 1 1 103 103 LEU CD2 C 13 25.659 0.3 . 2 . . . . 250 Leu CD2 . 16357 1 1256 . 1 1 103 103 LEU N N 15 117.173 0.3 . 1 . . . . 250 Leu N . 16357 1 1257 . 1 1 104 104 GLU H H 1 7.75 0.05 . 1 . . . . 251 Glu H . 16357 1 1258 . 1 1 104 104 GLU HA H 1 4.312 0.05 . 1 . . . . 251 Glu HA . 16357 1 1259 . 1 1 104 104 GLU HB2 H 1 2.204 0.05 . 2 . . . . 251 Glu HB2 . 16357 1 1260 . 1 1 104 104 GLU HB3 H 1 2.139 0.05 . 2 . . . . 251 Glu HB3 . 16357 1 1261 . 1 1 104 104 GLU HG2 H 1 2.396 0.05 . 2 . . . . 251 Glu HG2 . 16357 1 1262 . 1 1 104 104 GLU HG3 H 1 2.53 0.05 . 2 . . . . 251 Glu HG3 . 16357 1 1263 . 1 1 104 104 GLU CA C 13 57.23 0.3 . 1 . . . . 251 Glu CA . 16357 1 1264 . 1 1 104 104 GLU CB C 13 30.26 0.3 . 1 . . . . 251 Glu CB . 16357 1 1265 . 1 1 104 104 GLU CG C 13 36.32 0.3 . 1 . . . . 251 Glu CG . 16357 1 1266 . 1 1 104 104 GLU N N 15 117.196 0.3 . 1 . . . . 251 Glu N . 16357 1 1267 . 1 1 105 105 ASP H H 1 7.827 0.05 . 1 . . . . 252 Asp H . 16357 1 1268 . 1 1 105 105 ASP HA H 1 4.658 0.05 . 1 . . . . 252 Asp HA . 16357 1 1269 . 1 1 105 105 ASP HB2 H 1 2.77 0.05 . 2 . . . . 252 Asp HB2 . 16357 1 1270 . 1 1 105 105 ASP HB3 H 1 2.88 0.05 . 2 . . . . 252 Asp HB3 . 16357 1 1271 . 1 1 105 105 ASP C C 13 175.828 0.3 . 1 . . . . 252 Asp C . 16357 1 1272 . 1 1 105 105 ASP CA C 13 54.871 0.3 . 1 . . . . 252 Asp CA . 16357 1 1273 . 1 1 105 105 ASP CB C 13 41.57 0.3 . 1 . . . . 252 Asp CB . 16357 1 1274 . 1 1 105 105 ASP N N 15 120.128 0.3 . 1 . . . . 252 Asp N . 16357 1 1275 . 1 1 106 106 GLU H H 1 7.919 0.05 . 1 . . . . 253 Glu H . 16357 1 1276 . 1 1 106 106 GLU HA H 1 4.22 0.05 . 1 . . . . 253 Glu HA . 16357 1 1277 . 1 1 106 106 GLU HB2 H 1 1.969 0.05 . 2 . . . . 253 Glu HB2 . 16357 1 1278 . 1 1 106 106 GLU HB3 H 1 2.118 0.05 . 2 . . . . 253 Glu HB3 . 16357 1 1279 . 1 1 106 106 GLU HG2 H 1 2.306 0.05 . 2 . . . . 253 Glu HG2 . 16357 1 1280 . 1 1 106 106 GLU HG3 H 1 2.306 0.05 . 2 . . . . 253 Glu HG3 . 16357 1 1281 . 1 1 106 106 GLU CA C 13 58.02 0.3 . 1 . . . . 253 Glu CA . 16357 1 1282 . 1 1 106 106 GLU CB C 13 31.43 0.3 . 1 . . . . 253 Glu CB . 16357 1 1283 . 1 1 106 106 GLU CG C 13 36.72 0.3 . 1 . . . . 253 Glu CG . 16357 1 1284 . 1 1 106 106 GLU N N 15 125.725 0.3 . 1 . . . . 253 Glu N . 16357 1 stop_ save_