data_16623 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16623 _Entry.Title ; The U-box domain of mus musculus E4B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-03 _Entry.Accession_date 2009-12-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The U-box domain of mus musculus E4B' _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 Kyle Nordquist . . . 16623 2 Sarah Soss . . . 16623 3 Walter Chazin . . . 16623 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16623 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 Ligase' . 16623 E4B . 16623 RING . 16623 Ubiquitin . 16623 U-box . 16623 Ufd2 . 16623 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16623 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 16623 '15N chemical shifts' 76 16623 '1H chemical shifts' 555 16623 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2009-12-03 update BMRB 'edit entity/assembly name' 16623 1 . . 2010-01-28 2009-12-03 original author 'original release' 16623 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16623 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20017557 _Citation.Full_citation . _Citation.Title 'Structural and functional characterization of the monomeric U-box domain from E4B.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 2 _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 347 _Citation.Page_last 355 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kyle Nordquist . A. . 16623 1 2 Yoana Dimitrova . N. . 16623 1 3 Peter Brzovic . S. . 16623 1 4 Whitney Ridenour . B. . 16623 1 5 Kim Munro . A. . 16623 1 6 Sarah Soss . E. . 16623 1 7 Richard Caprioli . M. . 16623 1 8 Rachel Klevit . E. . 16623 1 9 Walter Chazin . J. . 16623 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E3 Ligase' 16623 1 E4B 16623 1 Ubiquitin 16623 1 U-box 16623 1 Ufd2 16623 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16623 _Assembly.ID 1 _Assembly.Name E4B _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 E4B 1 $entity A . yes native no no . . . 16623 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16623 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E4B _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 ; PGSAEIDYSDAPDEFRDPLM DTLMTDPVRLPSGTVMDRSI ILRHLLNSPTDPFNRQMLTE SMLEPVPELKEQIQAWMREK QSSDH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9779.069 _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 2KR4 . "U-Box Domain Of The E3 Ubiquitin Ligase E4b" . . . . . 100.00 85 100.00 100.00 1.99e-53 . . . . 16623 1 2 no DBJ BAC26672 . "unnamed protein product [Mus musculus]" . . . . . 96.47 1173 100.00 100.00 6.03e-47 . . . . 16623 1 3 no DBJ BAC56586 . "U-box-type ubiquitin ligase UFD2a [Mus musculus]" . . . . . 96.47 1173 100.00 100.00 6.72e-47 . . . . 16623 1 4 no DBJ BAC65627 . "mKIAA0684 protein [Mus musculus]" . . . . . 96.47 1186 100.00 100.00 6.67e-47 . . . . 16623 1 5 no GB AAG17287 . "ubiquitin fusion degradation protein 2 [Mus musculus]" . . . . . 96.47 1173 100.00 100.00 7.05e-47 . . . . 16623 1 6 no GB AAH67402 . "Ubiquitination factor E4B, UFD2 homolog (S. cerevisiae) [Mus musculus]" . . . . . 96.47 1173 100.00 100.00 6.33e-47 . . . . 16623 1 7 no GB AAH75620 . "Ubiquitination factor E4B, UFD2 homolog (S. cerevisiae) [Mus musculus]" . . . . . 96.47 1173 100.00 100.00 5.74e-47 . . . . 16623 1 8 no REF NP_001258127 . "ubiquitin conjugation factor E4 B [Rattus norvegicus]" . . . . . 96.47 1173 98.78 100.00 1.07e-46 . . . . 16623 1 9 no REF NP_071305 . "ubiquitin conjugation factor E4 B [Mus musculus]" . . . . . 96.47 1173 100.00 100.00 5.74e-47 . . . . 16623 1 10 no REF XP_005353748 . "PREDICTED: ubiquitin conjugation factor E4 B isoform X2 [Microtus ochrogaster]" . . . . . 96.47 1307 98.78 100.00 2.63e-46 . . . . 16623 1 11 no REF XP_005353749 . "PREDICTED: ubiquitin conjugation factor E4 B isoform X1 [Microtus ochrogaster]" . . . . . 96.47 1173 98.78 100.00 1.23e-46 . . . . 16623 1 12 no REF XP_006239449 . "PREDICTED: ubiquitin conjugation factor E4 B isoform X1 [Rattus norvegicus]" . . . . . 96.47 1388 98.78 100.00 2.34e-46 . . . . 16623 1 13 no SP Q9ES00 . "RecName: Full=Ubiquitin conjugation factor E4 B; AltName: Full=Ubiquitin fusion degradation protein 2" . . . . . 96.47 1173 100.00 100.00 5.74e-47 . . . . 16623 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E2 conjugating enzyme interaction domain' 16623 1 'E3 ubiquitin ligase' 16623 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 1089 PRO . 16623 1 2 1090 GLY . 16623 1 3 1091 SER . 16623 1 4 1092 ALA . 16623 1 5 1093 GLU . 16623 1 6 1094 ILE . 16623 1 7 1095 ASP . 16623 1 8 1096 TYR . 16623 1 9 1097 SER . 16623 1 10 1098 ASP . 16623 1 11 1099 ALA . 16623 1 12 1100 PRO . 16623 1 13 1101 ASP . 16623 1 14 1102 GLU . 16623 1 15 1103 PHE . 16623 1 16 1104 ARG . 16623 1 17 1105 ASP . 16623 1 18 1106 PRO . 16623 1 19 1107 LEU . 16623 1 20 1108 MET . 16623 1 21 1109 ASP . 16623 1 22 1110 THR . 16623 1 23 1111 LEU . 16623 1 24 1112 MET . 16623 1 25 1113 THR . 16623 1 26 1114 ASP . 16623 1 27 1115 PRO . 16623 1 28 1116 VAL . 16623 1 29 1117 ARG . 16623 1 30 1118 LEU . 16623 1 31 1119 PRO . 16623 1 32 1120 SER . 16623 1 33 1121 GLY . 16623 1 34 1122 THR . 16623 1 35 1123 VAL . 16623 1 36 1124 MET . 16623 1 37 1125 ASP . 16623 1 38 1126 ARG . 16623 1 39 1127 SER . 16623 1 40 1128 ILE . 16623 1 41 1129 ILE . 16623 1 42 1130 LEU . 16623 1 43 1131 ARG . 16623 1 44 1132 HIS . 16623 1 45 1133 LEU . 16623 1 46 1134 LEU . 16623 1 47 1135 ASN . 16623 1 48 1136 SER . 16623 1 49 1137 PRO . 16623 1 50 1138 THR . 16623 1 51 1139 ASP . 16623 1 52 1140 PRO . 16623 1 53 1141 PHE . 16623 1 54 1142 ASN . 16623 1 55 1143 ARG . 16623 1 56 1144 GLN . 16623 1 57 1145 MET . 16623 1 58 1146 LEU . 16623 1 59 1147 THR . 16623 1 60 1148 GLU . 16623 1 61 1149 SER . 16623 1 62 1150 MET . 16623 1 63 1151 LEU . 16623 1 64 1152 GLU . 16623 1 65 1153 PRO . 16623 1 66 1154 VAL . 16623 1 67 1155 PRO . 16623 1 68 1156 GLU . 16623 1 69 1157 LEU . 16623 1 70 1158 LYS . 16623 1 71 1159 GLU . 16623 1 72 1160 GLN . 16623 1 73 1161 ILE . 16623 1 74 1162 GLN . 16623 1 75 1163 ALA . 16623 1 76 1164 TRP . 16623 1 77 1165 MET . 16623 1 78 1166 ARG . 16623 1 79 1167 GLU . 16623 1 80 1168 LYS . 16623 1 81 1169 GLN . 16623 1 82 1170 SER . 16623 1 83 1171 SER . 16623 1 84 1172 ASP . 16623 1 85 1173 HIS . 16623 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 . PRO 1 1 16623 1 . GLY 2 2 16623 1 . SER 3 3 16623 1 . ALA 4 4 16623 1 . GLU 5 5 16623 1 . ILE 6 6 16623 1 . ASP 7 7 16623 1 . TYR 8 8 16623 1 . SER 9 9 16623 1 . ASP 10 10 16623 1 . ALA 11 11 16623 1 . PRO 12 12 16623 1 . ASP 13 13 16623 1 . GLU 14 14 16623 1 . PHE 15 15 16623 1 . ARG 16 16 16623 1 . ASP 17 17 16623 1 . PRO 18 18 16623 1 . LEU 19 19 16623 1 . MET 20 20 16623 1 . ASP 21 21 16623 1 . THR 22 22 16623 1 . LEU 23 23 16623 1 . MET 24 24 16623 1 . THR 25 25 16623 1 . ASP 26 26 16623 1 . PRO 27 27 16623 1 . VAL 28 28 16623 1 . ARG 29 29 16623 1 . LEU 30 30 16623 1 . PRO 31 31 16623 1 . SER 32 32 16623 1 . GLY 33 33 16623 1 . THR 34 34 16623 1 . VAL 35 35 16623 1 . MET 36 36 16623 1 . ASP 37 37 16623 1 . ARG 38 38 16623 1 . SER 39 39 16623 1 . ILE 40 40 16623 1 . ILE 41 41 16623 1 . LEU 42 42 16623 1 . ARG 43 43 16623 1 . HIS 44 44 16623 1 . LEU 45 45 16623 1 . LEU 46 46 16623 1 . ASN 47 47 16623 1 . SER 48 48 16623 1 . PRO 49 49 16623 1 . THR 50 50 16623 1 . ASP 51 51 16623 1 . PRO 52 52 16623 1 . PHE 53 53 16623 1 . ASN 54 54 16623 1 . ARG 55 55 16623 1 . GLN 56 56 16623 1 . MET 57 57 16623 1 . LEU 58 58 16623 1 . THR 59 59 16623 1 . GLU 60 60 16623 1 . SER 61 61 16623 1 . MET 62 62 16623 1 . LEU 63 63 16623 1 . GLU 64 64 16623 1 . PRO 65 65 16623 1 . VAL 66 66 16623 1 . PRO 67 67 16623 1 . GLU 68 68 16623 1 . LEU 69 69 16623 1 . LYS 70 70 16623 1 . GLU 71 71 16623 1 . GLN 72 72 16623 1 . ILE 73 73 16623 1 . GLN 74 74 16623 1 . ALA 75 75 16623 1 . TRP 76 76 16623 1 . MET 77 77 16623 1 . ARG 78 78 16623 1 . GLU 79 79 16623 1 . LYS 80 80 16623 1 . GLN 81 81 16623 1 . SER 82 82 16623 1 . SER 83 83 16623 1 . ASP 84 84 16623 1 . HIS 85 85 16623 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 16623 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16623 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 16623 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pBG102 . . . '6xHIS-SUMO tag with H3C protease cleavage site' . . 16623 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16623 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'U-box domain of E4B' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 750 . . uM . . . . 16623 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16623 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16623 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16623 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'U-box domain of E4B' 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 16623 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16623 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16623 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16623 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 16623 1 pressure 1 . atm 16623 1 temperature 298 . K 16623 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16623 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2009.015.15.35 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16623 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16623 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16623 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16623 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16623 2 'peak picking' 16623 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16623 _Software.ID 3 _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' . . 16623 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16623 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16623 _Software.ID 4 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16623 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16623 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_602 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 602 _NMR_spectrometer.Entry_ID 16623 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryoprobe 5mm TXI-Z, #Z44866-0009' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 16623 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; 5mm CP-TCI-Z, #44909-0018, CP-TCI 800SG H-C/N-D-05-Z ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16623 _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 1 602 Bruker Avance . 600 'Cryoprobe 5mm TXI-Z, #Z44866-0009' . . 16623 1 2 800 Bruker Avance . 800 ; 5mm CP-TCI-Z, #44909-0018, CP-TCI 800SG H-C/N-D-05-Z ; . . 16623 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 16623 _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 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 2 '2D 1H-13C HSQC' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 3 '2D DQF-COSY' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 4 '2D 1H-1H NOESY' no 1 $2D_1H-15N_HSQC . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $800 . . . . . . . . . . . . . . . . 16623 1 5 '3D CBCA(CO)NH' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 6 '3D HNCACB' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 7 '3D HN(CO)CA' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 8 '3D H(CCO)NH' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 9 '3D HCCH-TOCSY' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 10 '3D 1H-15N NOESY' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 11 '3D 1H-13C NOESY' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 1 12 '3D HCCH-COSY' no 1 $2D_1H-15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $602 . . . . . . . . . . . . . . . . 16623 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 16623 _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 1 _NMR_spec_expt.NMR_spectrometer_label $602 _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 . 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 2 'NMR experiment directory' . . . . . . . . 16623 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16623 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16623 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16623 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16623 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 16623 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 16623 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16623 1 4 '2D 1H-1H NOESY' . . . 16623 1 10 '3D 1H-15N NOESY' . . . 16623 1 11 '3D 1H-13C NOESY' . . . 16623 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 PRO HA H 1 4.456 0.000 . . . . . . 1089 PRO HA . 16623 1 2 . 1 1 1 1 PRO HB2 H 1 2.299 0.000 . . . . . . 1089 PRO HB . 16623 1 3 . 1 1 1 1 PRO HB3 H 1 2.299 0.000 . . . . . . 1089 PRO HB . 16623 1 4 . 1 1 1 1 PRO HD2 H 1 3.566 0.001 . . . . . . 1089 PRO HD . 16623 1 5 . 1 1 1 1 PRO HD3 H 1 3.566 0.001 . . . . . . 1089 PRO HD . 16623 1 6 . 1 1 1 1 PRO HG2 H 1 2.015 0.000 . . . . . . 1089 PRO HG . 16623 1 7 . 1 1 1 1 PRO HG3 H 1 2.015 0.000 . . . . . . 1089 PRO HG . 16623 1 8 . 1 1 1 1 PRO CA C 13 63.575 0.000 . . . . . . 1089 PRO CA . 16623 1 9 . 1 1 1 1 PRO CD C 13 49.709 0.000 . . . . . . 1089 PRO CD . 16623 1 10 . 1 1 1 1 PRO CG C 13 27.195 0.000 . . . . . . 1089 PRO CG . 16623 1 11 . 1 1 2 2 GLY H H 1 8.639 0.000 . . . . . . 1090 GLY H . 16623 1 12 . 1 1 2 2 GLY HA2 H 1 3.962 0.002 . . . . . . 1090 GLY HA . 16623 1 13 . 1 1 2 2 GLY HA3 H 1 3.962 0.002 . . . . . . 1090 GLY HA . 16623 1 14 . 1 1 2 2 GLY CA C 13 44.365 0.000 . . . . . . 1090 GLY CA . 16623 1 15 . 1 1 2 2 GLY N N 15 110.206 0.000 . . . . . . 1090 GLY N . 16623 1 16 . 1 1 3 3 SER H H 1 8.128 0.001 . . . . . . 1091 SER H . 16623 1 17 . 1 1 3 3 SER HA H 1 4.731 0.010 . . . . . . 1091 SER HA . 16623 1 18 . 1 1 3 3 SER HB2 H 1 3.916 0.000 . . . . . . 1091 SER HB . 16623 1 19 . 1 1 3 3 SER HB3 H 1 3.916 0.000 . . . . . . 1091 SER HB . 16623 1 20 . 1 1 3 3 SER CB C 13 63.095 0.000 . . . . . . 1091 SER CB . 16623 1 21 . 1 1 3 3 SER N N 15 115.614 0.010 . . . . . . 1091 SER N . 16623 1 22 . 1 1 4 4 ALA H H 1 8.377 0.002 . . . . . . 1092 ALA H . 16623 1 23 . 1 1 4 4 ALA HA H 1 4.264 0.000 . . . . . . 1092 ALA HA . 16623 1 24 . 1 1 4 4 ALA HB1 H 1 1.363 0.002 . . . . . . 1092 ALA HB . 16623 1 25 . 1 1 4 4 ALA HB2 H 1 1.363 0.002 . . . . . . 1092 ALA HB . 16623 1 26 . 1 1 4 4 ALA HB3 H 1 1.363 0.002 . . . . . . 1092 ALA HB . 16623 1 27 . 1 1 4 4 ALA CA C 13 52.648 0.000 . . . . . . 1092 ALA CA . 16623 1 28 . 1 1 4 4 ALA CB C 13 19.304 0.000 . . . . . . 1092 ALA CB . 16623 1 29 . 1 1 4 4 ALA N N 15 125.743 0.006 . . . . . . 1092 ALA N . 16623 1 30 . 1 1 5 5 GLU H H 1 8.249 0.018 . . . . . . 1093 GLU H . 16623 1 31 . 1 1 5 5 GLU HA H 1 4.246 0.004 . . . . . . 1093 GLU HA . 16623 1 32 . 1 1 5 5 GLU HB2 H 1 1.994 0.005 . . . . . . 1093 GLU HB2 . 16623 1 33 . 1 1 5 5 GLU HB3 H 1 1.885 0.007 . . . . . . 1093 GLU HB3 . 16623 1 34 . 1 1 5 5 GLU HG2 H 1 2.219 0.012 . . . . . . 1093 GLU HG . 16623 1 35 . 1 1 5 5 GLU HG3 H 1 2.219 0.012 . . . . . . 1093 GLU HG . 16623 1 36 . 1 1 5 5 GLU CA C 13 56.397 0.093 . . . . . . 1093 GLU CA . 16623 1 37 . 1 1 5 5 GLU CB C 13 30.285 0.105 . . . . . . 1093 GLU CB . 16623 1 38 . 1 1 5 5 GLU CG C 13 36.305 0.000 . . . . . . 1093 GLU CG . 16623 1 39 . 1 1 5 5 GLU N N 15 120.000 0.026 . . . . . . 1093 GLU N . 16623 1 40 . 1 1 6 6 ILE H H 1 7.984 0.011 . . . . . . 1094 ILE H . 16623 1 41 . 1 1 6 6 ILE HA H 1 3.884 0.003 . . . . . . 1094 ILE HA . 16623 1 42 . 1 1 6 6 ILE HB H 1 1.542 0.008 . . . . . . 1094 ILE HB . 16623 1 43 . 1 1 6 6 ILE HD11 H 1 0.739 0.011 . . . . . . 1094 ILE HD1 . 16623 1 44 . 1 1 6 6 ILE HD12 H 1 0.739 0.011 . . . . . . 1094 ILE HD1 . 16623 1 45 . 1 1 6 6 ILE HD13 H 1 0.739 0.011 . . . . . . 1094 ILE HD1 . 16623 1 46 . 1 1 6 6 ILE HG12 H 1 1.324 0.010 . . . . . . 1094 ILE HG12 . 16623 1 47 . 1 1 6 6 ILE HG13 H 1 1.037 0.008 . . . . . . 1094 ILE HG13 . 16623 1 48 . 1 1 6 6 ILE HG21 H 1 0.378 0.010 . . . . . . 1094 ILE HG2 . 16623 1 49 . 1 1 6 6 ILE HG22 H 1 0.378 0.010 . . . . . . 1094 ILE HG2 . 16623 1 50 . 1 1 6 6 ILE HG23 H 1 0.378 0.010 . . . . . . 1094 ILE HG2 . 16623 1 51 . 1 1 6 6 ILE CA C 13 60.739 0.142 . . . . . . 1094 ILE CA . 16623 1 52 . 1 1 6 6 ILE CB C 13 38.766 0.000 . . . . . . 1094 ILE CB . 16623 1 53 . 1 1 6 6 ILE CD1 C 13 12.855 0.061 . . . . . . 1094 ILE CD1 . 16623 1 54 . 1 1 6 6 ILE CG1 C 13 27.579 0.078 . . . . . . 1094 ILE CG1 . 16623 1 55 . 1 1 6 6 ILE CG2 C 13 17.576 0.028 . . . . . . 1094 ILE CG2 . 16623 1 56 . 1 1 6 6 ILE N N 15 122.648 0.027 . . . . . . 1094 ILE N . 16623 1 57 . 1 1 7 7 ASP H H 1 8.224 0.010 . . . . . . 1095 ASP H . 16623 1 58 . 1 1 7 7 ASP HA H 1 4.561 0.003 . . . . . . 1095 ASP HA . 16623 1 59 . 1 1 7 7 ASP HB2 H 1 2.713 0.007 . . . . . . 1095 ASP HB2 . 16623 1 60 . 1 1 7 7 ASP HB3 H 1 2.545 0.008 . . . . . . 1095 ASP HB3 . 16623 1 61 . 1 1 7 7 ASP CA C 13 54.728 0.000 . . . . . . 1095 ASP CA . 16623 1 62 . 1 1 7 7 ASP CB C 13 41.689 0.113 . . . . . . 1095 ASP CB . 16623 1 63 . 1 1 7 7 ASP N N 15 125.098 0.008 . . . . . . 1095 ASP N . 16623 1 64 . 1 1 8 8 TYR H H 1 8.538 0.002 . . . . . . 1096 TYR H . 16623 1 65 . 1 1 8 8 TYR HA H 1 5.007 0.011 . . . . . . 1096 TYR HA . 16623 1 66 . 1 1 8 8 TYR HB2 H 1 3.648 0.004 . . . . . . 1096 TYR HB2 . 16623 1 67 . 1 1 8 8 TYR HB3 H 1 2.972 0.004 . . . . . . 1096 TYR HB3 . 16623 1 68 . 1 1 8 8 TYR HD1 H 1 7.132 0.011 . . . . . . 1096 TYR HD . 16623 1 69 . 1 1 8 8 TYR HD2 H 1 7.132 0.011 . . . . . . 1096 TYR HD . 16623 1 70 . 1 1 8 8 TYR HE1 H 1 6.674 0.002 . . . . . . 1096 TYR HE . 16623 1 71 . 1 1 8 8 TYR HE2 H 1 6.674 0.002 . . . . . . 1096 TYR HE . 16623 1 72 . 1 1 8 8 TYR CA C 13 57.288 0.072 . . . . . . 1096 TYR CA . 16623 1 73 . 1 1 8 8 TYR CB C 13 38.216 0.080 . . . . . . 1096 TYR CB . 16623 1 74 . 1 1 8 8 TYR N N 15 122.892 0.039 . . . . . . 1096 TYR N . 16623 1 75 . 1 1 9 9 SER H H 1 8.674 0.001 . . . . . . 1097 SER H . 16623 1 76 . 1 1 9 9 SER HA H 1 4.222 0.002 . . . . . . 1097 SER HA . 16623 1 77 . 1 1 9 9 SER HB2 H 1 4.012 0.010 . . . . . . 1097 SER HB . 16623 1 78 . 1 1 9 9 SER HB3 H 1 4.012 0.010 . . . . . . 1097 SER HB . 16623 1 79 . 1 1 9 9 SER CA C 13 61.538 0.026 . . . . . . 1097 SER CA . 16623 1 80 . 1 1 9 9 SER CB C 13 63.174 0.000 . . . . . . 1097 SER CB . 16623 1 81 . 1 1 9 9 SER N N 15 117.350 0.076 . . . . . . 1097 SER N . 16623 1 82 . 1 1 10 10 ASP H H 1 8.807 0.001 . . . . . . 1098 ASP H . 16623 1 83 . 1 1 10 10 ASP HA H 1 4.634 0.004 . . . . . . 1098 ASP HA . 16623 1 84 . 1 1 10 10 ASP HB2 H 1 2.959 0.001 . . . . . . 1098 ASP HB2 . 16623 1 85 . 1 1 10 10 ASP HB3 H 1 2.654 0.006 . . . . . . 1098 ASP HB3 . 16623 1 86 . 1 1 10 10 ASP CA C 13 53.104 0.222 . . . . . . 1098 ASP CA . 16623 1 87 . 1 1 10 10 ASP CB C 13 39.344 0.040 . . . . . . 1098 ASP CB . 16623 1 88 . 1 1 10 10 ASP N N 15 119.557 0.050 . . . . . . 1098 ASP N . 16623 1 89 . 1 1 11 11 ALA H H 1 7.650 0.004 . . . . . . 1099 ALA H . 16623 1 90 . 1 1 11 11 ALA HA H 1 3.811 0.006 . . . . . . 1099 ALA HA . 16623 1 91 . 1 1 11 11 ALA HB1 H 1 1.001 0.004 . . . . . . 1099 ALA HB . 16623 1 92 . 1 1 11 11 ALA HB2 H 1 1.001 0.004 . . . . . . 1099 ALA HB . 16623 1 93 . 1 1 11 11 ALA HB3 H 1 1.001 0.004 . . . . . . 1099 ALA HB . 16623 1 94 . 1 1 11 11 ALA CA C 13 50.891 0.021 . . . . . . 1099 ALA CA . 16623 1 95 . 1 1 11 11 ALA CB C 13 17.951 0.067 . . . . . . 1099 ALA CB . 16623 1 96 . 1 1 11 11 ALA N N 15 123.447 0.018 . . . . . . 1099 ALA N . 16623 1 97 . 1 1 12 12 PRO HA H 1 4.070 0.004 . . . . . . 1100 PRO HA . 16623 1 98 . 1 1 12 12 PRO HB2 H 1 0.807 0.006 . . . . . . 1100 PRO HB2 . 16623 1 99 . 1 1 12 12 PRO HB3 H 1 1.802 0.001 . . . . . . 1100 PRO HB3 . 16623 1 100 . 1 1 12 12 PRO HD2 H 1 3.004 0.005 . . . . . . 1100 PRO HD2 . 16623 1 101 . 1 1 12 12 PRO HD3 H 1 2.023 0.001 . . . . . . 1100 PRO HD3 . 16623 1 102 . 1 1 12 12 PRO HG2 H 1 1.227 0.009 . . . . . . 1100 PRO HG2 . 16623 1 103 . 1 1 12 12 PRO HG3 H 1 0.568 0.005 . . . . . . 1100 PRO HG3 . 16623 1 104 . 1 1 12 12 PRO CA C 13 62.103 0.000 . . . . . . 1100 PRO CA . 16623 1 105 . 1 1 12 12 PRO CB C 13 31.890 0.074 . . . . . . 1100 PRO CB . 16623 1 106 . 1 1 12 12 PRO CD C 13 50.196 0.110 . . . . . . 1100 PRO CD . 16623 1 107 . 1 1 12 12 PRO CG C 13 26.423 0.063 . . . . . . 1100 PRO CG . 16623 1 108 . 1 1 13 13 ASP H H 1 8.360 0.005 . . . . . . 1101 ASP H . 16623 1 109 . 1 1 13 13 ASP HA H 1 3.948 0.006 . . . . . . 1101 ASP HA . 16623 1 110 . 1 1 13 13 ASP HB2 H 1 2.568 0.006 . . . . . . 1101 ASP HB2 . 16623 1 111 . 1 1 13 13 ASP HB3 H 1 2.418 0.003 . . . . . . 1101 ASP HB3 . 16623 1 112 . 1 1 13 13 ASP CA C 13 58.167 0.108 . . . . . . 1101 ASP CA . 16623 1 113 . 1 1 13 13 ASP CB C 13 40.562 0.108 . . . . . . 1101 ASP CB . 16623 1 114 . 1 1 13 13 ASP N N 15 122.413 0.029 . . . . . . 1101 ASP N . 16623 1 115 . 1 1 14 14 GLU H H 1 9.225 0.013 . . . . . . 1102 GLU H . 16623 1 116 . 1 1 14 14 GLU HA H 1 4.114 0.005 . . . . . . 1102 GLU HA . 16623 1 117 . 1 1 14 14 GLU HB2 H 1 2.034 0.000 . . . . . . 1102 GLU HB2 . 16623 1 118 . 1 1 14 14 GLU HB3 H 1 1.974 0.000 . . . . . . 1102 GLU HB3 . 16623 1 119 . 1 1 14 14 GLU HG2 H 1 2.188 0.002 . . . . . . 1102 GLU HG . 16623 1 120 . 1 1 14 14 GLU HG3 H 1 2.188 0.002 . . . . . . 1102 GLU HG . 16623 1 121 . 1 1 14 14 GLU CA C 13 58.105 0.104 . . . . . . 1102 GLU CA . 16623 1 122 . 1 1 14 14 GLU CB C 13 29.349 0.023 . . . . . . 1102 GLU CB . 16623 1 123 . 1 1 14 14 GLU CG C 13 36.220 0.000 . . . . . . 1102 GLU CG . 16623 1 124 . 1 1 14 14 GLU N N 15 116.487 0.030 . . . . . . 1102 GLU N . 16623 1 125 . 1 1 15 15 PHE H H 1 7.614 0.004 . . . . . . 1103 PHE H . 16623 1 126 . 1 1 15 15 PHE HA H 1 4.700 0.001 . . . . . . 1103 PHE HA . 16623 1 127 . 1 1 15 15 PHE HB2 H 1 3.335 0.006 . . . . . . 1103 PHE HB2 . 16623 1 128 . 1 1 15 15 PHE HB3 H 1 2.723 0.006 . . . . . . 1103 PHE HB3 . 16623 1 129 . 1 1 15 15 PHE HD1 H 1 6.309 0.004 . . . . . . 1103 PHE HD . 16623 1 130 . 1 1 15 15 PHE HD2 H 1 6.309 0.004 . . . . . . 1103 PHE HD . 16623 1 131 . 1 1 15 15 PHE HE1 H 1 6.905 0.007 . . . . . . 1103 PHE HE . 16623 1 132 . 1 1 15 15 PHE HE2 H 1 6.905 0.007 . . . . . . 1103 PHE HE . 16623 1 133 . 1 1 15 15 PHE HZ H 1 6.994 0.001 . . . . . . 1103 PHE HZ . 16623 1 134 . 1 1 15 15 PHE CB C 13 37.674 0.095 . . . . . . 1103 PHE CB . 16623 1 135 . 1 1 15 15 PHE N N 15 114.965 0.068 . . . . . . 1103 PHE N . 16623 1 136 . 1 1 16 16 ARG H H 1 7.542 0.006 . . . . . . 1104 ARG H . 16623 1 137 . 1 1 16 16 ARG HA H 1 4.711 0.004 . . . . . . 1104 ARG HA . 16623 1 138 . 1 1 16 16 ARG HB2 H 1 1.688 0.015 . . . . . . 1104 ARG HB2 . 16623 1 139 . 1 1 16 16 ARG HB3 H 1 1.376 0.009 . . . . . . 1104 ARG HB3 . 16623 1 140 . 1 1 16 16 ARG HD2 H 1 3.062 0.006 . . . . . . 1104 ARG HD . 16623 1 141 . 1 1 16 16 ARG HD3 H 1 3.062 0.006 . . . . . . 1104 ARG HD . 16623 1 142 . 1 1 16 16 ARG HG2 H 1 0.844 0.004 . . . . . . 1104 ARG HG . 16623 1 143 . 1 1 16 16 ARG HG3 H 1 0.844 0.004 . . . . . . 1104 ARG HG . 16623 1 144 . 1 1 16 16 ARG CB C 13 32.344 0.201 . . . . . . 1104 ARG CB . 16623 1 145 . 1 1 16 16 ARG CD C 13 43.155 0.000 . . . . . . 1104 ARG CD . 16623 1 146 . 1 1 16 16 ARG CG C 13 27.884 0.061 . . . . . . 1104 ARG CG . 16623 1 147 . 1 1 16 16 ARG N N 15 118.825 0.056 . . . . . . 1104 ARG N . 16623 1 148 . 1 1 17 17 ASP H H 1 9.302 0.012 . . . . . . 1105 ASP H . 16623 1 149 . 1 1 17 17 ASP HA H 1 5.010 0.012 . . . . . . 1105 ASP HA . 16623 1 150 . 1 1 17 17 ASP HB2 H 1 2.476 0.004 . . . . . . 1105 ASP HB . 16623 1 151 . 1 1 17 17 ASP HB3 H 1 2.476 0.004 . . . . . . 1105 ASP HB . 16623 1 152 . 1 1 17 17 ASP CA C 13 52.286 0.000 . . . . . . 1105 ASP CA . 16623 1 153 . 1 1 17 17 ASP CB C 13 46.968 0.079 . . . . . . 1105 ASP CB . 16623 1 154 . 1 1 17 17 ASP N N 15 125.899 0.028 . . . . . . 1105 ASP N . 16623 1 155 . 1 1 18 18 PRO HA H 1 4.510 0.004 . . . . . . 1106 PRO HA . 16623 1 156 . 1 1 18 18 PRO HB2 H 1 2.288 0.009 . . . . . . 1106 PRO HB2 . 16623 1 157 . 1 1 18 18 PRO HB3 H 1 1.871 0.012 . . . . . . 1106 PRO HB3 . 16623 1 158 . 1 1 18 18 PRO HD2 H 1 4.203 0.008 . . . . . . 1106 PRO HD2 . 16623 1 159 . 1 1 18 18 PRO HD3 H 1 4.078 0.002 . . . . . . 1106 PRO HD3 . 16623 1 160 . 1 1 18 18 PRO HG2 H 1 2.099 0.001 . . . . . . 1106 PRO HG . 16623 1 161 . 1 1 18 18 PRO HG3 H 1 2.099 0.001 . . . . . . 1106 PRO HG . 16623 1 162 . 1 1 18 18 PRO CA C 13 64.935 0.153 . . . . . . 1106 PRO CA . 16623 1 163 . 1 1 18 18 PRO CB C 13 31.635 0.003 . . . . . . 1106 PRO CB . 16623 1 164 . 1 1 18 18 PRO CD C 13 52.246 0.056 . . . . . . 1106 PRO CD . 16623 1 165 . 1 1 18 18 PRO CG C 13 27.960 0.000 . . . . . . 1106 PRO CG . 16623 1 166 . 1 1 19 19 LEU H H 1 9.275 0.002 . . . . . . 1107 LEU H . 16623 1 167 . 1 1 19 19 LEU HA H 1 4.654 0.006 . . . . . . 1107 LEU HA . 16623 1 168 . 1 1 19 19 LEU HB2 H 1 2.070 0.003 . . . . . . 1107 LEU HB2 . 16623 1 169 . 1 1 19 19 LEU HB3 H 1 1.444 0.003 . . . . . . 1107 LEU HB3 . 16623 1 170 . 1 1 19 19 LEU HD11 H 1 0.653 0.003 . . . . . . 1107 LEU HD1 . 16623 1 171 . 1 1 19 19 LEU HD12 H 1 0.653 0.003 . . . . . . 1107 LEU HD1 . 16623 1 172 . 1 1 19 19 LEU HD13 H 1 0.653 0.003 . . . . . . 1107 LEU HD1 . 16623 1 173 . 1 1 19 19 LEU HD21 H 1 0.645 0.000 . . . . . . 1107 LEU HD2 . 16623 1 174 . 1 1 19 19 LEU HD22 H 1 0.645 0.000 . . . . . . 1107 LEU HD2 . 16623 1 175 . 1 1 19 19 LEU HD23 H 1 0.645 0.000 . . . . . . 1107 LEU HD2 . 16623 1 176 . 1 1 19 19 LEU HG H 1 1.467 0.000 . . . . . . 1107 LEU HG . 16623 1 177 . 1 1 19 19 LEU CB C 13 44.079 0.116 . . . . . . 1107 LEU CB . 16623 1 178 . 1 1 19 19 LEU CD1 C 13 23.793 0.000 . . . . . . 1107 LEU CD1 . 16623 1 179 . 1 1 19 19 LEU CG C 13 27.120 0.000 . . . . . . 1107 LEU CG . 16623 1 180 . 1 1 19 19 LEU N N 15 122.714 0.016 . . . . . . 1107 LEU N . 16623 1 181 . 1 1 20 20 MET H H 1 9.602 0.074 . . . . . . 1108 MET H . 16623 1 182 . 1 1 20 20 MET HA H 1 4.751 0.010 . . . . . . 1108 MET HA . 16623 1 183 . 1 1 20 20 MET HB2 H 1 2.380 0.005 . . . . . . 1108 MET HB2 . 16623 1 184 . 1 1 20 20 MET HB3 H 1 1.980 0.027 . . . . . . 1108 MET HB3 . 16623 1 185 . 1 1 20 20 MET HG2 H 1 2.733 0.005 . . . . . . 1108 MET HG . 16623 1 186 . 1 1 20 20 MET HG3 H 1 2.733 0.005 . . . . . . 1108 MET HG . 16623 1 187 . 1 1 20 20 MET CB C 13 33.555 0.155 . . . . . . 1108 MET CB . 16623 1 188 . 1 1 20 20 MET CG C 13 33.494 0.058 . . . . . . 1108 MET CG . 16623 1 189 . 1 1 20 20 MET N N 15 116.375 0.042 . . . . . . 1108 MET N . 16623 1 190 . 1 1 21 21 ASP H H 1 8.604 0.001 . . . . . . 1109 ASP H . 16623 1 191 . 1 1 21 21 ASP HA H 1 4.639 0.003 . . . . . . 1109 ASP HA . 16623 1 192 . 1 1 21 21 ASP HB2 H 1 3.142 0.010 . . . . . . 1109 ASP HB2 . 16623 1 193 . 1 1 21 21 ASP HB3 H 1 2.432 0.009 . . . . . . 1109 ASP HB3 . 16623 1 194 . 1 1 21 21 ASP CB C 13 41.032 0.067 . . . . . . 1109 ASP CB . 16623 1 195 . 1 1 21 21 ASP N N 15 118.697 0.022 . . . . . . 1109 ASP N . 16623 1 196 . 1 1 22 22 THR H H 1 6.920 0.009 . . . . . . 1110 THR H . 16623 1 197 . 1 1 22 22 THR HA H 1 4.391 0.002 . . . . . . 1110 THR HA . 16623 1 198 . 1 1 22 22 THR HB H 1 4.139 0.002 . . . . . . 1110 THR HB . 16623 1 199 . 1 1 22 22 THR HG21 H 1 1.119 0.003 . . . . . . 1110 THR HG2 . 16623 1 200 . 1 1 22 22 THR HG22 H 1 1.119 0.003 . . . . . . 1110 THR HG2 . 16623 1 201 . 1 1 22 22 THR HG23 H 1 1.119 0.003 . . . . . . 1110 THR HG2 . 16623 1 202 . 1 1 22 22 THR CA C 13 58.999 0.052 . . . . . . 1110 THR CA . 16623 1 203 . 1 1 22 22 THR CB C 13 70.257 0.029 . . . . . . 1110 THR CB . 16623 1 204 . 1 1 22 22 THR CG2 C 13 22.436 0.000 . . . . . . 1110 THR CG2 . 16623 1 205 . 1 1 22 22 THR N N 15 105.517 0.023 . . . . . . 1110 THR N . 16623 1 206 . 1 1 23 23 LEU H H 1 8.418 0.018 . . . . . . 1111 LEU H . 16623 1 207 . 1 1 23 23 LEU HA H 1 4.069 0.007 . . . . . . 1111 LEU HA . 16623 1 208 . 1 1 23 23 LEU HB2 H 1 1.590 0.003 . . . . . . 1111 LEU HB2 . 16623 1 209 . 1 1 23 23 LEU HB3 H 1 1.326 0.003 . . . . . . 1111 LEU HB3 . 16623 1 210 . 1 1 23 23 LEU HD11 H 1 0.865 0.000 . . . . . . 1111 LEU HD1 . 16623 1 211 . 1 1 23 23 LEU HD12 H 1 0.865 0.000 . . . . . . 1111 LEU HD1 . 16623 1 212 . 1 1 23 23 LEU HD13 H 1 0.865 0.000 . . . . . . 1111 LEU HD1 . 16623 1 213 . 1 1 23 23 LEU HG H 1 0.713 0.000 . . . . . . 1111 LEU HG . 16623 1 214 . 1 1 23 23 LEU CA C 13 56.781 0.000 . . . . . . 1111 LEU CA . 16623 1 215 . 1 1 23 23 LEU CB C 13 42.441 0.068 . . . . . . 1111 LEU CB . 16623 1 216 . 1 1 23 23 LEU CD1 C 13 24.990 0.000 . . . . . . 1111 LEU CD1 . 16623 1 217 . 1 1 23 23 LEU CG C 13 25.550 0.000 . . . . . . 1111 LEU CG . 16623 1 218 . 1 1 23 23 LEU N N 15 122.956 0.011 . . . . . . 1111 LEU N . 16623 1 219 . 1 1 24 24 MET H H 1 8.784 0.008 . . . . . . 1112 MET H . 16623 1 220 . 1 1 24 24 MET HA H 1 4.168 0.008 . . . . . . 1112 MET HA . 16623 1 221 . 1 1 24 24 MET HB2 H 1 1.384 0.006 . . . . . . 1112 MET HB2 . 16623 1 222 . 1 1 24 24 MET HB3 H 1 2.073 0.005 . . . . . . 1112 MET HB3 . 16623 1 223 . 1 1 24 24 MET HE1 H 1 1.803 0.003 . . . . . . 1112 MET HE . 16623 1 224 . 1 1 24 24 MET HE2 H 1 1.803 0.003 . . . . . . 1112 MET HE . 16623 1 225 . 1 1 24 24 MET HE3 H 1 1.803 0.003 . . . . . . 1112 MET HE . 16623 1 226 . 1 1 24 24 MET HG2 H 1 2.629 0.000 . . . . . . 1112 MET HG2 . 16623 1 227 . 1 1 24 24 MET HG3 H 1 2.201 0.008 . . . . . . 1112 MET HG3 . 16623 1 228 . 1 1 24 24 MET CB C 13 35.413 0.017 . . . . . . 1112 MET CB . 16623 1 229 . 1 1 24 24 MET CG C 13 33.269 0.007 . . . . . . 1112 MET CG . 16623 1 230 . 1 1 24 24 MET N N 15 127.712 0.075 . . . . . . 1112 MET N . 16623 1 231 . 1 1 25 25 THR H H 1 8.013 0.008 . . . . . . 1113 THR H . 16623 1 232 . 1 1 25 25 THR HA H 1 4.397 0.003 . . . . . . 1113 THR HA . 16623 1 233 . 1 1 25 25 THR HB H 1 4.206 0.004 . . . . . . 1113 THR HB . 16623 1 234 . 1 1 25 25 THR HG21 H 1 1.139 0.002 . . . . . . 1113 THR HG2 . 16623 1 235 . 1 1 25 25 THR HG22 H 1 1.139 0.002 . . . . . . 1113 THR HG2 . 16623 1 236 . 1 1 25 25 THR HG23 H 1 1.139 0.002 . . . . . . 1113 THR HG2 . 16623 1 237 . 1 1 25 25 THR CA C 13 62.185 0.000 . . . . . . 1113 THR CA . 16623 1 238 . 1 1 25 25 THR CB C 13 70.070 0.209 . . . . . . 1113 THR CB . 16623 1 239 . 1 1 25 25 THR CG2 C 13 21.818 0.000 . . . . . . 1113 THR CG2 . 16623 1 240 . 1 1 25 25 THR N N 15 108.684 0.030 . . . . . . 1113 THR N . 16623 1 241 . 1 1 26 26 ASP H H 1 8.672 0.001 . . . . . . 1114 ASP H . 16623 1 242 . 1 1 26 26 ASP HA H 1 5.018 0.006 . . . . . . 1114 ASP HA . 16623 1 243 . 1 1 26 26 ASP HB2 H 1 3.024 0.008 . . . . . . 1114 ASP HB2 . 16623 1 244 . 1 1 26 26 ASP HB3 H 1 2.407 0.002 . . . . . . 1114 ASP HB3 . 16623 1 245 . 1 1 26 26 ASP CB C 13 41.309 0.193 . . . . . . 1114 ASP CB . 16623 1 246 . 1 1 26 26 ASP N N 15 121.296 0.057 . . . . . . 1114 ASP N . 16623 1 247 . 1 1 27 27 PRO HA H 1 4.787 0.006 . . . . . . 1115 PRO HA . 16623 1 248 . 1 1 27 27 PRO HB2 H 1 2.132 0.004 . . . . . . 1115 PRO HB2 . 16623 1 249 . 1 1 27 27 PRO HB3 H 1 1.743 0.013 . . . . . . 1115 PRO HB3 . 16623 1 250 . 1 1 27 27 PRO HD2 H 1 3.622 0.007 . . . . . . 1115 PRO HD2 . 16623 1 251 . 1 1 27 27 PRO HD3 H 1 3.157 0.003 . . . . . . 1115 PRO HD3 . 16623 1 252 . 1 1 27 27 PRO HG2 H 1 1.564 0.010 . . . . . . 1115 PRO HG . 16623 1 253 . 1 1 27 27 PRO HG3 H 1 1.564 0.010 . . . . . . 1115 PRO HG . 16623 1 254 . 1 1 27 27 PRO CB C 13 33.217 0.218 . . . . . . 1115 PRO CB . 16623 1 255 . 1 1 27 27 PRO CD C 13 49.391 0.040 . . . . . . 1115 PRO CD . 16623 1 256 . 1 1 27 27 PRO CG C 13 27.639 0.067 . . . . . . 1115 PRO CG . 16623 1 257 . 1 1 28 28 VAL H H 1 9.674 0.004 . . . . . . 1116 VAL H . 16623 1 258 . 1 1 28 28 VAL HA H 1 5.021 0.004 . . . . . . 1116 VAL HA . 16623 1 259 . 1 1 28 28 VAL HB H 1 1.746 0.005 . . . . . . 1116 VAL HB . 16623 1 260 . 1 1 28 28 VAL HG11 H 1 0.842 0.047 . . . . . . 1116 VAL HG1 . 16623 1 261 . 1 1 28 28 VAL HG12 H 1 0.842 0.047 . . . . . . 1116 VAL HG1 . 16623 1 262 . 1 1 28 28 VAL HG13 H 1 0.842 0.047 . . . . . . 1116 VAL HG1 . 16623 1 263 . 1 1 28 28 VAL HG21 H 1 0.783 0.008 . . . . . . 1116 VAL HG2 . 16623 1 264 . 1 1 28 28 VAL HG22 H 1 0.783 0.008 . . . . . . 1116 VAL HG2 . 16623 1 265 . 1 1 28 28 VAL HG23 H 1 0.783 0.008 . . . . . . 1116 VAL HG2 . 16623 1 266 . 1 1 28 28 VAL CA C 13 58.530 0.108 . . . . . . 1116 VAL CA . 16623 1 267 . 1 1 28 28 VAL CB C 13 35.602 0.013 . . . . . . 1116 VAL CB . 16623 1 268 . 1 1 28 28 VAL CG1 C 13 21.128 0.000 . . . . . . 1116 VAL CG1 . 16623 1 269 . 1 1 28 28 VAL CG2 C 13 19.305 0.122 . . . . . . 1116 VAL CG2 . 16623 1 270 . 1 1 28 28 VAL N N 15 117.416 0.051 . . . . . . 1116 VAL N . 16623 1 271 . 1 1 29 29 ARG H H 1 9.782 0.012 . . . . . . 1117 ARG H . 16623 1 272 . 1 1 29 29 ARG HA H 1 4.868 0.031 . . . . . . 1117 ARG HA . 16623 1 273 . 1 1 29 29 ARG HB2 H 1 1.754 0.007 . . . . . . 1117 ARG HB2 . 16623 1 274 . 1 1 29 29 ARG HB3 H 1 1.435 0.011 . . . . . . 1117 ARG HB3 . 16623 1 275 . 1 1 29 29 ARG HD2 H 1 3.193 0.013 . . . . . . 1117 ARG HD . 16623 1 276 . 1 1 29 29 ARG HD3 H 1 3.193 0.013 . . . . . . 1117 ARG HD . 16623 1 277 . 1 1 29 29 ARG HG2 H 1 1.810 0.000 . . . . . . 1117 ARG HG2 . 16623 1 278 . 1 1 29 29 ARG HG3 H 1 1.298 0.018 . . . . . . 1117 ARG HG3 . 16623 1 279 . 1 1 29 29 ARG CA C 13 54.591 0.000 . . . . . . 1117 ARG CA . 16623 1 280 . 1 1 29 29 ARG CB C 13 33.058 0.206 . . . . . . 1117 ARG CB . 16623 1 281 . 1 1 29 29 ARG CD C 13 43.599 0.106 . . . . . . 1117 ARG CD . 16623 1 282 . 1 1 29 29 ARG CG C 13 27.572 0.053 . . . . . . 1117 ARG CG . 16623 1 283 . 1 1 29 29 ARG N N 15 122.897 0.038 . . . . . . 1117 ARG N . 16623 1 284 . 1 1 30 30 LEU H H 1 8.934 0.006 . . . . . . 1118 LEU H . 16623 1 285 . 1 1 30 30 LEU HA H 1 4.508 0.005 . . . . . . 1118 LEU HA . 16623 1 286 . 1 1 30 30 LEU HB2 H 1 2.274 0.008 . . . . . . 1118 LEU HB2 . 16623 1 287 . 1 1 30 30 LEU HB3 H 1 1.647 0.005 . . . . . . 1118 LEU HB3 . 16623 1 288 . 1 1 30 30 LEU HD11 H 1 0.897 0.002 . . . . . . 1118 LEU HD1 . 16623 1 289 . 1 1 30 30 LEU HD12 H 1 0.897 0.002 . . . . . . 1118 LEU HD1 . 16623 1 290 . 1 1 30 30 LEU HD13 H 1 0.897 0.002 . . . . . . 1118 LEU HD1 . 16623 1 291 . 1 1 30 30 LEU CA C 13 55.279 0.036 . . . . . . 1118 LEU CA . 16623 1 292 . 1 1 30 30 LEU CB C 13 40.124 0.119 . . . . . . 1118 LEU CB . 16623 1 293 . 1 1 30 30 LEU N N 15 130.504 0.011 . . . . . . 1118 LEU N . 16623 1 294 . 1 1 31 31 PRO HA H 1 4.296 0.006 . . . . . . 1119 PRO HA . 16623 1 295 . 1 1 31 31 PRO HB2 H 1 2.447 0.000 . . . . . . 1119 PRO HB2 . 16623 1 296 . 1 1 31 31 PRO HB3 H 1 1.989 0.000 . . . . . . 1119 PRO HB3 . 16623 1 297 . 1 1 31 31 PRO HD2 H 1 3.966 0.004 . . . . . . 1119 PRO HD2 . 16623 1 298 . 1 1 31 31 PRO HD3 H 1 3.615 0.009 . . . . . . 1119 PRO HD3 . 16623 1 299 . 1 1 31 31 PRO HG2 H 1 2.127 0.000 . . . . . . 1119 PRO HG2 . 16623 1 300 . 1 1 31 31 PRO HG3 H 1 2.369 0.002 . . . . . . 1119 PRO HG3 . 16623 1 301 . 1 1 31 31 PRO CA C 13 64.942 0.093 . . . . . . 1119 PRO CA . 16623 1 302 . 1 1 31 31 PRO CB C 13 32.177 0.032 . . . . . . 1119 PRO CB . 16623 1 303 . 1 1 31 31 PRO CD C 13 50.430 0.118 . . . . . . 1119 PRO CD . 16623 1 304 . 1 1 31 31 PRO CG C 13 28.795 0.057 . . . . . . 1119 PRO CG . 16623 1 305 . 1 1 32 32 SER H H 1 8.050 0.006 . . . . . . 1120 SER H . 16623 1 306 . 1 1 32 32 SER HA H 1 4.126 0.004 . . . . . . 1120 SER HA . 16623 1 307 . 1 1 32 32 SER HB2 H 1 3.941 0.010 . . . . . . 1120 SER HB . 16623 1 308 . 1 1 32 32 SER HB3 H 1 3.941 0.010 . . . . . . 1120 SER HB . 16623 1 309 . 1 1 32 32 SER CB C 13 64.807 0.000 . . . . . . 1120 SER CB . 16623 1 310 . 1 1 32 32 SER N N 15 109.704 0.037 . . . . . . 1120 SER N . 16623 1 311 . 1 1 33 33 GLY H H 1 8.594 0.002 . . . . . . 1121 GLY H . 16623 1 312 . 1 1 33 33 GLY HA2 H 1 4.522 0.007 . . . . . . 1121 GLY HA2 . 16623 1 313 . 1 1 33 33 GLY HA3 H 1 3.425 0.003 . . . . . . 1121 GLY HA3 . 16623 1 314 . 1 1 33 33 GLY CA C 13 44.701 0.024 . . . . . . 1121 GLY CA . 16623 1 315 . 1 1 33 33 GLY N N 15 111.835 0.009 . . . . . . 1121 GLY N . 16623 1 316 . 1 1 34 34 THR H H 1 7.346 0.009 . . . . . . 1122 THR H . 16623 1 317 . 1 1 34 34 THR HA H 1 3.903 0.007 . . . . . . 1122 THR HA . 16623 1 318 . 1 1 34 34 THR HB H 1 3.649 0.006 . . . . . . 1122 THR HB . 16623 1 319 . 1 1 34 34 THR HG21 H 1 0.909 0.001 . . . . . . 1122 THR HG2 . 16623 1 320 . 1 1 34 34 THR HG22 H 1 0.909 0.001 . . . . . . 1122 THR HG2 . 16623 1 321 . 1 1 34 34 THR HG23 H 1 0.909 0.001 . . . . . . 1122 THR HG2 . 16623 1 322 . 1 1 34 34 THR CA C 13 63.893 0.072 . . . . . . 1122 THR CA . 16623 1 323 . 1 1 34 34 THR CB C 13 69.571 0.256 . . . . . . 1122 THR CB . 16623 1 324 . 1 1 34 34 THR CG2 C 13 22.565 0.084 . . . . . . 1122 THR CG2 . 16623 1 325 . 1 1 34 34 THR N N 15 119.145 0.034 . . . . . . 1122 THR N . 16623 1 326 . 1 1 35 35 VAL H H 1 8.256 0.005 . . . . . . 1123 VAL H . 16623 1 327 . 1 1 35 35 VAL HA H 1 5.048 0.006 . . . . . . 1123 VAL HA . 16623 1 328 . 1 1 35 35 VAL HB H 1 1.831 0.000 . . . . . . 1123 VAL HB . 16623 1 329 . 1 1 35 35 VAL HG11 H 1 0.749 0.021 . . . . . . 1123 VAL HG1 . 16623 1 330 . 1 1 35 35 VAL HG12 H 1 0.749 0.021 . . . . . . 1123 VAL HG1 . 16623 1 331 . 1 1 35 35 VAL HG13 H 1 0.749 0.021 . . . . . . 1123 VAL HG1 . 16623 1 332 . 1 1 35 35 VAL HG21 H 1 0.904 0.005 . . . . . . 1123 VAL HG2 . 16623 1 333 . 1 1 35 35 VAL HG22 H 1 0.904 0.005 . . . . . . 1123 VAL HG2 . 16623 1 334 . 1 1 35 35 VAL HG23 H 1 0.904 0.005 . . . . . . 1123 VAL HG2 . 16623 1 335 . 1 1 35 35 VAL N N 15 128.368 0.036 . . . . . . 1123 VAL N . 16623 1 336 . 1 1 36 36 MET H H 1 9.034 0.006 . . . . . . 1124 MET H . 16623 1 337 . 1 1 36 36 MET HA H 1 4.920 0.004 . . . . . . 1124 MET HA . 16623 1 338 . 1 1 36 36 MET HB2 H 1 2.491 0.009 . . . . . . 1124 MET HB2 . 16623 1 339 . 1 1 36 36 MET HB3 H 1 1.535 0.004 . . . . . . 1124 MET HB3 . 16623 1 340 . 1 1 36 36 MET HE1 H 1 1.808 0.000 . . . . . . 1124 MET HE . 16623 1 341 . 1 1 36 36 MET HE2 H 1 1.808 0.000 . . . . . . 1124 MET HE . 16623 1 342 . 1 1 36 36 MET HE3 H 1 1.808 0.000 . . . . . . 1124 MET HE . 16623 1 343 . 1 1 36 36 MET HG2 H 1 2.224 0.014 . . . . . . 1124 MET HG . 16623 1 344 . 1 1 36 36 MET HG3 H 1 2.224 0.014 . . . . . . 1124 MET HG . 16623 1 345 . 1 1 36 36 MET CB C 13 38.661 0.025 . . . . . . 1124 MET CB . 16623 1 346 . 1 1 36 36 MET N N 15 123.216 0.027 . . . . . . 1124 MET N . 16623 1 347 . 1 1 37 37 ASP H H 1 10.015 0.006 . . . . . . 1125 ASP H . 16623 1 348 . 1 1 37 37 ASP HA H 1 4.182 0.005 . . . . . . 1125 ASP HA . 16623 1 349 . 1 1 37 37 ASP HB2 H 1 2.668 0.009 . . . . . . 1125 ASP HB2 . 16623 1 350 . 1 1 37 37 ASP HB3 H 1 2.570 0.007 . . . . . . 1125 ASP HB3 . 16623 1 351 . 1 1 37 37 ASP CB C 13 43.966 0.065 . . . . . . 1125 ASP CB . 16623 1 352 . 1 1 37 37 ASP N N 15 120.553 0.049 . . . . . . 1125 ASP N . 16623 1 353 . 1 1 38 38 ARG H H 1 8.977 0.006 . . . . . . 1126 ARG H . 16623 1 354 . 1 1 38 38 ARG HA H 1 3.711 0.005 . . . . . . 1126 ARG HA . 16623 1 355 . 1 1 38 38 ARG HB2 H 1 2.256 0.025 . . . . . . 1126 ARG HB2 . 16623 1 356 . 1 1 38 38 ARG HB3 H 1 1.847 0.012 . . . . . . 1126 ARG HB3 . 16623 1 357 . 1 1 38 38 ARG HD2 H 1 3.328 0.005 . . . . . . 1126 ARG HD2 . 16623 1 358 . 1 1 38 38 ARG HD3 H 1 3.055 0.013 . . . . . . 1126 ARG HD3 . 16623 1 359 . 1 1 38 38 ARG HG2 H 1 1.489 0.011 . . . . . . 1126 ARG HG2 . 16623 1 360 . 1 1 38 38 ARG HG3 H 1 1.277 0.012 . . . . . . 1126 ARG HG3 . 16623 1 361 . 1 1 38 38 ARG CA C 13 60.751 0.000 . . . . . . 1126 ARG CA . 16623 1 362 . 1 1 38 38 ARG CB C 13 31.656 0.051 . . . . . . 1126 ARG CB . 16623 1 363 . 1 1 38 38 ARG CD C 13 43.132 0.097 . . . . . . 1126 ARG CD . 16623 1 364 . 1 1 38 38 ARG CG C 13 27.801 0.175 . . . . . . 1126 ARG CG . 16623 1 365 . 1 1 38 38 ARG N N 15 128.530 0.048 . . . . . . 1126 ARG N . 16623 1 366 . 1 1 39 39 SER H H 1 8.849 0.004 . . . . . . 1127 SER H . 16623 1 367 . 1 1 39 39 SER HA H 1 3.965 0.014 . . . . . . 1127 SER HA . 16623 1 368 . 1 1 39 39 SER HB2 H 1 3.829 0.003 . . . . . . 1127 SER HB . 16623 1 369 . 1 1 39 39 SER HB3 H 1 3.829 0.003 . . . . . . 1127 SER HB . 16623 1 370 . 1 1 39 39 SER CA C 13 61.502 0.000 . . . . . . 1127 SER CA . 16623 1 371 . 1 1 39 39 SER CB C 13 62.579 0.000 . . . . . . 1127 SER CB . 16623 1 372 . 1 1 39 39 SER N N 15 110.485 0.018 . . . . . . 1127 SER N . 16623 1 373 . 1 1 40 40 ILE H H 1 7.025 0.007 . . . . . . 1128 ILE H . 16623 1 374 . 1 1 40 40 ILE HA H 1 3.783 0.010 . . . . . . 1128 ILE HA . 16623 1 375 . 1 1 40 40 ILE HB H 1 2.167 0.012 . . . . . . 1128 ILE HB . 16623 1 376 . 1 1 40 40 ILE HD11 H 1 0.832 0.006 . . . . . . 1128 ILE HD1 . 16623 1 377 . 1 1 40 40 ILE HD12 H 1 0.832 0.006 . . . . . . 1128 ILE HD1 . 16623 1 378 . 1 1 40 40 ILE HD13 H 1 0.832 0.006 . . . . . . 1128 ILE HD1 . 16623 1 379 . 1 1 40 40 ILE HG12 H 1 1.639 0.014 . . . . . . 1128 ILE HG12 . 16623 1 380 . 1 1 40 40 ILE HG13 H 1 1.247 0.006 . . . . . . 1128 ILE HG13 . 16623 1 381 . 1 1 40 40 ILE HG21 H 1 1.002 0.011 . . . . . . 1128 ILE HG2 . 16623 1 382 . 1 1 40 40 ILE HG22 H 1 1.002 0.011 . . . . . . 1128 ILE HG2 . 16623 1 383 . 1 1 40 40 ILE HG23 H 1 1.002 0.011 . . . . . . 1128 ILE HG2 . 16623 1 384 . 1 1 40 40 ILE CA C 13 64.010 0.063 . . . . . . 1128 ILE CA . 16623 1 385 . 1 1 40 40 ILE CB C 13 37.319 0.225 . . . . . . 1128 ILE CB . 16623 1 386 . 1 1 40 40 ILE CD1 C 13 12.060 0.123 . . . . . . 1128 ILE CD1 . 16623 1 387 . 1 1 40 40 ILE CG1 C 13 28.773 0.025 . . . . . . 1128 ILE CG1 . 16623 1 388 . 1 1 40 40 ILE CG2 C 13 18.006 0.148 . . . . . . 1128 ILE CG2 . 16623 1 389 . 1 1 40 40 ILE N N 15 122.380 0.047 . . . . . . 1128 ILE N . 16623 1 390 . 1 1 41 41 ILE H H 1 8.055 0.003 . . . . . . 1129 ILE H . 16623 1 391 . 1 1 41 41 ILE HA H 1 4.536 0.010 . . . . . . 1129 ILE HA . 16623 1 392 . 1 1 41 41 ILE HB H 1 2.138 0.006 . . . . . . 1129 ILE HB . 16623 1 393 . 1 1 41 41 ILE HD11 H 1 1.094 0.012 . . . . . . 1129 ILE HD1 . 16623 1 394 . 1 1 41 41 ILE HD12 H 1 1.094 0.012 . . . . . . 1129 ILE HD1 . 16623 1 395 . 1 1 41 41 ILE HD13 H 1 1.094 0.012 . . . . . . 1129 ILE HD1 . 16623 1 396 . 1 1 41 41 ILE HG12 H 1 1.411 0.003 . . . . . . 1129 ILE HG12 . 16623 1 397 . 1 1 41 41 ILE HG13 H 1 1.296 0.024 . . . . . . 1129 ILE HG13 . 16623 1 398 . 1 1 41 41 ILE HG21 H 1 1.115 0.003 . . . . . . 1129 ILE HG2 . 16623 1 399 . 1 1 41 41 ILE HG22 H 1 1.115 0.003 . . . . . . 1129 ILE HG2 . 16623 1 400 . 1 1 41 41 ILE HG23 H 1 1.115 0.003 . . . . . . 1129 ILE HG2 . 16623 1 401 . 1 1 41 41 ILE CA C 13 60.043 0.013 . . . . . . 1129 ILE CA . 16623 1 402 . 1 1 41 41 ILE CB C 13 36.986 0.166 . . . . . . 1129 ILE CB . 16623 1 403 . 1 1 41 41 ILE CD1 C 13 14.248 0.007 . . . . . . 1129 ILE CD1 . 16623 1 404 . 1 1 41 41 ILE CG1 C 13 30.515 0.198 . . . . . . 1129 ILE CG1 . 16623 1 405 . 1 1 41 41 ILE CG2 C 13 21.110 0.000 . . . . . . 1129 ILE CG2 . 16623 1 406 . 1 1 41 41 ILE N N 15 119.282 0.040 . . . . . . 1129 ILE N . 16623 1 407 . 1 1 42 42 LEU H H 1 8.575 0.004 . . . . . . 1130 LEU H . 16623 1 408 . 1 1 42 42 LEU HA H 1 4.052 0.008 . . . . . . 1130 LEU HA . 16623 1 409 . 1 1 42 42 LEU HB2 H 1 1.813 0.012 . . . . . . 1130 LEU HB2 . 16623 1 410 . 1 1 42 42 LEU HB3 H 1 1.408 0.002 . . . . . . 1130 LEU HB3 . 16623 1 411 . 1 1 42 42 LEU HD11 H 1 0.802 0.010 . . . . . . 1130 LEU HD1 . 16623 1 412 . 1 1 42 42 LEU HD12 H 1 0.802 0.010 . . . . . . 1130 LEU HD1 . 16623 1 413 . 1 1 42 42 LEU HD13 H 1 0.802 0.010 . . . . . . 1130 LEU HD1 . 16623 1 414 . 1 1 42 42 LEU HD21 H 1 0.812 0.001 . . . . . . 1130 LEU HD2 . 16623 1 415 . 1 1 42 42 LEU HD22 H 1 0.812 0.001 . . . . . . 1130 LEU HD2 . 16623 1 416 . 1 1 42 42 LEU HD23 H 1 0.812 0.001 . . . . . . 1130 LEU HD2 . 16623 1 417 . 1 1 42 42 LEU HG H 1 1.859 0.006 . . . . . . 1130 LEU HG . 16623 1 418 . 1 1 42 42 LEU CA C 13 58.703 0.022 . . . . . . 1130 LEU CA . 16623 1 419 . 1 1 42 42 LEU CB C 13 40.738 0.103 . . . . . . 1130 LEU CB . 16623 1 420 . 1 1 42 42 LEU CD1 C 13 22.489 0.043 . . . . . . 1130 LEU CD1 . 16623 1 421 . 1 1 42 42 LEU CG C 13 26.764 0.061 . . . . . . 1130 LEU CG . 16623 1 422 . 1 1 42 42 LEU N N 15 123.315 0.024 . . . . . . 1130 LEU N . 16623 1 423 . 1 1 43 43 ARG H H 1 7.278 0.001 . . . . . . 1131 ARG H . 16623 1 424 . 1 1 43 43 ARG HA H 1 4.041 0.007 . . . . . . 1131 ARG HA . 16623 1 425 . 1 1 43 43 ARG HB2 H 1 1.982 0.006 . . . . . . 1131 ARG HB2 . 16623 1 426 . 1 1 43 43 ARG HB3 H 1 1.793 0.004 . . . . . . 1131 ARG HB3 . 16623 1 427 . 1 1 43 43 ARG HD2 H 1 3.213 0.008 . . . . . . 1131 ARG HD . 16623 1 428 . 1 1 43 43 ARG HD3 H 1 3.213 0.008 . . . . . . 1131 ARG HD . 16623 1 429 . 1 1 43 43 ARG HG2 H 1 1.650 0.005 . . . . . . 1131 ARG HG . 16623 1 430 . 1 1 43 43 ARG HG3 H 1 1.650 0.005 . . . . . . 1131 ARG HG . 16623 1 431 . 1 1 43 43 ARG CB C 13 29.936 0.000 . . . . . . 1131 ARG CB . 16623 1 432 . 1 1 43 43 ARG CD C 13 43.657 0.018 . . . . . . 1131 ARG CD . 16623 1 433 . 1 1 43 43 ARG CG C 13 27.615 0.198 . . . . . . 1131 ARG CG . 16623 1 434 . 1 1 43 43 ARG N N 15 118.110 0.012 . . . . . . 1131 ARG N . 16623 1 435 . 1 1 44 44 HIS H H 1 7.679 0.005 . . . . . . 1132 HIS H . 16623 1 436 . 1 1 44 44 HIS HA H 1 4.301 0.003 . . . . . . 1132 HIS HA . 16623 1 437 . 1 1 44 44 HIS HB2 H 1 3.490 0.009 . . . . . . 1132 HIS HB2 . 16623 1 438 . 1 1 44 44 HIS HB3 H 1 2.988 0.006 . . . . . . 1132 HIS HB3 . 16623 1 439 . 1 1 44 44 HIS CA C 13 60.820 0.130 . . . . . . 1132 HIS CA . 16623 1 440 . 1 1 44 44 HIS CB C 13 30.649 0.051 . . . . . . 1132 HIS CB . 16623 1 441 . 1 1 44 44 HIS N N 15 120.192 0.031 . . . . . . 1132 HIS N . 16623 1 442 . 1 1 45 45 LEU H H 1 8.462 0.003 . . . . . . 1133 LEU H . 16623 1 443 . 1 1 45 45 LEU HA H 1 4.574 0.006 . . . . . . 1133 LEU HA . 16623 1 444 . 1 1 45 45 LEU HB2 H 1 1.930 0.002 . . . . . . 1133 LEU HB2 . 16623 1 445 . 1 1 45 45 LEU HB3 H 1 1.420 0.005 . . . . . . 1133 LEU HB3 . 16623 1 446 . 1 1 45 45 LEU HD11 H 1 0.984 0.007 . . . . . . 1133 LEU HD1 . 16623 1 447 . 1 1 45 45 LEU HD12 H 1 0.984 0.007 . . . . . . 1133 LEU HD1 . 16623 1 448 . 1 1 45 45 LEU HD13 H 1 0.984 0.007 . . . . . . 1133 LEU HD1 . 16623 1 449 . 1 1 45 45 LEU HD21 H 1 0.715 0.002 . . . . . . 1133 LEU HD2 . 16623 1 450 . 1 1 45 45 LEU HD22 H 1 0.715 0.002 . . . . . . 1133 LEU HD2 . 16623 1 451 . 1 1 45 45 LEU HD23 H 1 0.715 0.002 . . . . . . 1133 LEU HD2 . 16623 1 452 . 1 1 45 45 LEU HG H 1 2.026 0.004 . . . . . . 1133 LEU HG . 16623 1 453 . 1 1 45 45 LEU CB C 13 42.026 0.079 . . . . . . 1133 LEU CB . 16623 1 454 . 1 1 45 45 LEU CD1 C 13 23.755 0.000 . . . . . . 1133 LEU CD1 . 16623 1 455 . 1 1 45 45 LEU CG C 13 27.219 0.047 . . . . . . 1133 LEU CG . 16623 1 456 . 1 1 45 45 LEU N N 15 118.413 0.014 . . . . . . 1133 LEU N . 16623 1 457 . 1 1 46 46 LEU H H 1 7.249 0.008 . . . . . . 1134 LEU H . 16623 1 458 . 1 1 46 46 LEU HA H 1 4.029 0.013 . . . . . . 1134 LEU HA . 16623 1 459 . 1 1 46 46 LEU HB2 H 1 1.788 0.007 . . . . . . 1134 LEU HB2 . 16623 1 460 . 1 1 46 46 LEU HB3 H 1 1.464 0.008 . . . . . . 1134 LEU HB3 . 16623 1 461 . 1 1 46 46 LEU HD11 H 1 0.885 0.013 . . . . . . 1134 LEU HD1 . 16623 1 462 . 1 1 46 46 LEU HD12 H 1 0.885 0.013 . . . . . . 1134 LEU HD1 . 16623 1 463 . 1 1 46 46 LEU HD13 H 1 0.885 0.013 . . . . . . 1134 LEU HD1 . 16623 1 464 . 1 1 46 46 LEU HG H 1 1.851 0.001 . . . . . . 1134 LEU HG . 16623 1 465 . 1 1 46 46 LEU CA C 13 59.081 0.000 . . . . . . 1134 LEU CA . 16623 1 466 . 1 1 46 46 LEU CB C 13 42.169 0.101 . . . . . . 1134 LEU CB . 16623 1 467 . 1 1 46 46 LEU CD1 C 13 23.202 0.000 . . . . . . 1134 LEU CD1 . 16623 1 468 . 1 1 46 46 LEU CG C 13 25.986 0.351 . . . . . . 1134 LEU CG . 16623 1 469 . 1 1 46 46 LEU N N 15 117.954 0.034 . . . . . . 1134 LEU N . 16623 1 470 . 1 1 47 47 ASN H H 1 7.370 0.002 . . . . . . 1135 ASN H . 16623 1 471 . 1 1 47 47 ASN HB2 H 1 2.703 0.003 . . . . . . 1135 ASN HB . 16623 1 472 . 1 1 47 47 ASN HB3 H 1 2.703 0.003 . . . . . . 1135 ASN HB . 16623 1 473 . 1 1 47 47 ASN CB C 13 40.797 0.007 . . . . . . 1135 ASN CB . 16623 1 474 . 1 1 47 47 ASN N N 15 113.858 0.026 . . . . . . 1135 ASN N . 16623 1 475 . 1 1 48 48 SER H H 1 7.795 0.009 . . . . . . 1136 SER H . 16623 1 476 . 1 1 48 48 SER HA H 1 4.747 0.005 . . . . . . 1136 SER HA . 16623 1 477 . 1 1 48 48 SER HB2 H 1 3.485 0.005 . . . . . . 1136 SER HB2 . 16623 1 478 . 1 1 48 48 SER HB3 H 1 3.083 0.004 . . . . . . 1136 SER HB3 . 16623 1 479 . 1 1 48 48 SER CB C 13 64.339 0.053 . . . . . . 1136 SER CB . 16623 1 480 . 1 1 48 48 SER N N 15 114.643 0.035 . . . . . . 1136 SER N . 16623 1 481 . 1 1 49 49 PRO HA H 1 5.024 0.003 . . . . . . 1137 PRO HA . 16623 1 482 . 1 1 49 49 PRO HB2 H 1 2.507 0.002 . . . . . . 1137 PRO HB2 . 16623 1 483 . 1 1 49 49 PRO HB3 H 1 1.912 0.021 . . . . . . 1137 PRO HB3 . 16623 1 484 . 1 1 49 49 PRO HD2 H 1 3.686 0.003 . . . . . . 1137 PRO HD2 . 16623 1 485 . 1 1 49 49 PRO HD3 H 1 3.590 0.000 . . . . . . 1137 PRO HD3 . 16623 1 486 . 1 1 49 49 PRO HG2 H 1 2.063 0.001 . . . . . . 1137 PRO HG . 16623 1 487 . 1 1 49 49 PRO HG3 H 1 2.063 0.001 . . . . . . 1137 PRO HG . 16623 1 488 . 1 1 49 49 PRO CB C 13 27.867 0.242 . . . . . . 1137 PRO CB . 16623 1 489 . 1 1 49 49 PRO CD C 13 50.211 0.137 . . . . . . 1137 PRO CD . 16623 1 490 . 1 1 50 50 THR H H 1 8.574 0.003 . . . . . . 1138 THR H . 16623 1 491 . 1 1 50 50 THR HA H 1 5.083 0.003 . . . . . . 1138 THR HA . 16623 1 492 . 1 1 50 50 THR HB H 1 3.712 0.007 . . . . . . 1138 THR HB . 16623 1 493 . 1 1 50 50 THR HG21 H 1 0.868 0.005 . . . . . . 1138 THR HG2 . 16623 1 494 . 1 1 50 50 THR HG22 H 1 0.868 0.005 . . . . . . 1138 THR HG2 . 16623 1 495 . 1 1 50 50 THR HG23 H 1 0.868 0.005 . . . . . . 1138 THR HG2 . 16623 1 496 . 1 1 50 50 THR CA C 13 59.192 0.147 . . . . . . 1138 THR CA . 16623 1 497 . 1 1 50 50 THR CB C 13 73.675 0.169 . . . . . . 1138 THR CB . 16623 1 498 . 1 1 50 50 THR CG2 C 13 22.270 0.000 . . . . . . 1138 THR CG2 . 16623 1 499 . 1 1 50 50 THR N N 15 111.868 0.021 . . . . . . 1138 THR N . 16623 1 500 . 1 1 51 51 ASP H H 1 8.684 0.014 . . . . . . 1139 ASP H . 16623 1 501 . 1 1 51 51 ASP HA H 1 4.525 0.003 . . . . . . 1139 ASP HA . 16623 1 502 . 1 1 51 51 ASP HB2 H 1 3.258 0.014 . . . . . . 1139 ASP HB2 . 16623 1 503 . 1 1 51 51 ASP HB3 H 1 2.363 0.006 . . . . . . 1139 ASP HB3 . 16623 1 504 . 1 1 51 51 ASP CA C 13 51.513 0.089 . . . . . . 1139 ASP CA . 16623 1 505 . 1 1 51 51 ASP CB C 13 43.180 0.121 . . . . . . 1139 ASP CB . 16623 1 506 . 1 1 51 51 ASP N N 15 122.617 0.021 . . . . . . 1139 ASP N . 16623 1 507 . 1 1 52 52 PRO HA H 1 3.846 0.002 . . . . . . 1140 PRO HA . 16623 1 508 . 1 1 52 52 PRO HB2 H 1 0.920 0.006 . . . . . . 1140 PRO HB2 . 16623 1 509 . 1 1 52 52 PRO HB3 H 1 0.702 0.008 . . . . . . 1140 PRO HB3 . 16623 1 510 . 1 1 52 52 PRO HD2 H 1 3.502 0.005 . . . . . . 1140 PRO HD2 . 16623 1 511 . 1 1 52 52 PRO HD3 H 1 3.283 0.004 . . . . . . 1140 PRO HD3 . 16623 1 512 . 1 1 52 52 PRO HG2 H 1 1.100 0.009 . . . . . . 1140 PRO HG2 . 16623 1 513 . 1 1 52 52 PRO HG3 H 1 0.679 0.000 . . . . . . 1140 PRO HG3 . 16623 1 514 . 1 1 52 52 PRO CA C 13 63.640 0.050 . . . . . . 1140 PRO CA . 16623 1 515 . 1 1 52 52 PRO CB C 13 30.709 0.180 . . . . . . 1140 PRO CB . 16623 1 516 . 1 1 52 52 PRO CD C 13 50.089 0.043 . . . . . . 1140 PRO CD . 16623 1 517 . 1 1 52 52 PRO CG C 13 25.804 0.007 . . . . . . 1140 PRO CG . 16623 1 518 . 1 1 53 53 PHE H H 1 9.160 0.004 . . . . . . 1141 PHE H . 16623 1 519 . 1 1 53 53 PHE HA H 1 4.496 0.007 . . . . . . 1141 PHE HA . 16623 1 520 . 1 1 53 53 PHE HB2 H 1 3.101 0.013 . . . . . . 1141 PHE HB . 16623 1 521 . 1 1 53 53 PHE HB3 H 1 3.101 0.013 . . . . . . 1141 PHE HB . 16623 1 522 . 1 1 53 53 PHE HD1 H 1 7.267 0.002 . . . . . . 1141 PHE HD . 16623 1 523 . 1 1 53 53 PHE HD2 H 1 7.267 0.002 . . . . . . 1141 PHE HD . 16623 1 524 . 1 1 53 53 PHE HE1 H 1 7.317 0.002 . . . . . . 1141 PHE HE . 16623 1 525 . 1 1 53 53 PHE HE2 H 1 7.317 0.002 . . . . . . 1141 PHE HE . 16623 1 526 . 1 1 53 53 PHE HZ H 1 6.809 0.002 . . . . . . 1141 PHE HZ . 16623 1 527 . 1 1 53 53 PHE CA C 13 59.744 0.000 . . . . . . 1141 PHE CA . 16623 1 528 . 1 1 53 53 PHE CB C 13 38.968 0.031 . . . . . . 1141 PHE CB . 16623 1 529 . 1 1 53 53 PHE N N 15 117.115 0.030 . . . . . . 1141 PHE N . 16623 1 530 . 1 1 54 54 ASN H H 1 8.436 0.002 . . . . . . 1142 ASN H . 16623 1 531 . 1 1 54 54 ASN HA H 1 4.846 0.012 . . . . . . 1142 ASN HA . 16623 1 532 . 1 1 54 54 ASN HB2 H 1 3.201 0.004 . . . . . . 1142 ASN HB2 . 16623 1 533 . 1 1 54 54 ASN HB3 H 1 2.624 0.008 . . . . . . 1142 ASN HB3 . 16623 1 534 . 1 1 54 54 ASN CA C 13 52.080 0.148 . . . . . . 1142 ASN CA . 16623 1 535 . 1 1 54 54 ASN CB C 13 39.276 0.074 . . . . . . 1142 ASN CB . 16623 1 536 . 1 1 54 54 ASN N N 15 116.621 0.017 . . . . . . 1142 ASN N . 16623 1 537 . 1 1 55 55 ARG H H 1 8.088 0.004 . . . . . . 1143 ARG H . 16623 1 538 . 1 1 55 55 ARG HA H 1 3.971 0.009 . . . . . . 1143 ARG HA . 16623 1 539 . 1 1 55 55 ARG HB2 H 1 2.057 0.005 . . . . . . 1143 ARG HB2 . 16623 1 540 . 1 1 55 55 ARG HB3 H 1 1.503 0.006 . . . . . . 1143 ARG HB3 . 16623 1 541 . 1 1 55 55 ARG HD2 H 1 3.131 0.003 . . . . . . 1143 ARG HD . 16623 1 542 . 1 1 55 55 ARG HD3 H 1 3.131 0.003 . . . . . . 1143 ARG HD . 16623 1 543 . 1 1 55 55 ARG HG2 H 1 1.509 0.008 . . . . . . 1143 ARG HG . 16623 1 544 . 1 1 55 55 ARG HG3 H 1 1.509 0.008 . . . . . . 1143 ARG HG . 16623 1 545 . 1 1 55 55 ARG CA C 13 58.925 0.037 . . . . . . 1143 ARG CA . 16623 1 546 . 1 1 55 55 ARG CB C 13 27.608 0.198 . . . . . . 1143 ARG CB . 16623 1 547 . 1 1 55 55 ARG CD C 13 43.067 0.000 . . . . . . 1143 ARG CD . 16623 1 548 . 1 1 55 55 ARG CG C 13 27.784 0.063 . . . . . . 1143 ARG CG . 16623 1 549 . 1 1 55 55 ARG N N 15 113.377 0.020 . . . . . . 1143 ARG N . 16623 1 550 . 1 1 56 56 GLN H H 1 8.201 0.010 . . . . . . 1144 GLN H . 16623 1 551 . 1 1 56 56 GLN HA H 1 4.279 0.034 . . . . . . 1144 GLN HA . 16623 1 552 . 1 1 56 56 GLN HB2 H 1 2.085 0.015 . . . . . . 1144 GLN HB . 16623 1 553 . 1 1 56 56 GLN HB3 H 1 2.085 0.015 . . . . . . 1144 GLN HB . 16623 1 554 . 1 1 56 56 GLN HG2 H 1 2.407 0.000 . . . . . . 1144 GLN HG2 . 16623 1 555 . 1 1 56 56 GLN HG3 H 1 2.329 0.019 . . . . . . 1144 GLN HG3 . 16623 1 556 . 1 1 56 56 GLN CA C 13 55.891 0.000 . . . . . . 1144 GLN CA . 16623 1 557 . 1 1 56 56 GLN CB C 13 29.195 0.000 . . . . . . 1144 GLN CB . 16623 1 558 . 1 1 56 56 GLN CG C 13 35.703 0.000 . . . . . . 1144 GLN CG . 16623 1 559 . 1 1 56 56 GLN N N 15 118.754 0.041 . . . . . . 1144 GLN N . 16623 1 560 . 1 1 57 57 MET H H 1 8.387 0.001 . . . . . . 1145 MET H . 16623 1 561 . 1 1 57 57 MET HA H 1 4.371 0.011 . . . . . . 1145 MET HA . 16623 1 562 . 1 1 57 57 MET HB2 H 1 2.127 0.000 . . . . . . 1145 MET HB2 . 16623 1 563 . 1 1 57 57 MET HB3 H 1 1.976 0.001 . . . . . . 1145 MET HB3 . 16623 1 564 . 1 1 57 57 MET HG2 H 1 2.635 0.024 . . . . . . 1145 MET HG2 . 16623 1 565 . 1 1 57 57 MET HG3 H 1 2.500 0.030 . . . . . . 1145 MET HG3 . 16623 1 566 . 1 1 57 57 MET N N 15 121.094 0.003 . . . . . . 1145 MET N . 16623 1 567 . 1 1 58 58 LEU H H 1 7.832 0.010 . . . . . . 1146 LEU H . 16623 1 568 . 1 1 58 58 LEU HA H 1 4.865 0.013 . . . . . . 1146 LEU HA . 16623 1 569 . 1 1 58 58 LEU HB2 H 1 1.350 0.018 . . . . . . 1146 LEU HB2 . 16623 1 570 . 1 1 58 58 LEU HB3 H 1 1.240 0.014 . . . . . . 1146 LEU HB3 . 16623 1 571 . 1 1 58 58 LEU HD11 H 1 1.118 0.008 . . . . . . 1146 LEU HD1 . 16623 1 572 . 1 1 58 58 LEU HD12 H 1 1.118 0.008 . . . . . . 1146 LEU HD1 . 16623 1 573 . 1 1 58 58 LEU HD13 H 1 1.118 0.008 . . . . . . 1146 LEU HD1 . 16623 1 574 . 1 1 58 58 LEU HD21 H 1 1.155 0.000 . . . . . . 1146 LEU HD2 . 16623 1 575 . 1 1 58 58 LEU HD22 H 1 1.155 0.000 . . . . . . 1146 LEU HD2 . 16623 1 576 . 1 1 58 58 LEU HD23 H 1 1.155 0.000 . . . . . . 1146 LEU HD2 . 16623 1 577 . 1 1 58 58 LEU HG H 1 0.930 0.012 . . . . . . 1146 LEU HG . 16623 1 578 . 1 1 58 58 LEU CB C 13 46.173 0.042 . . . . . . 1146 LEU CB . 16623 1 579 . 1 1 58 58 LEU CD1 C 13 25.150 0.000 . . . . . . 1146 LEU CD1 . 16623 1 580 . 1 1 58 58 LEU N N 15 127.415 0.037 . . . . . . 1146 LEU N . 16623 1 581 . 1 1 59 59 THR H H 1 7.339 0.006 . . . . . . 1147 THR H . 16623 1 582 . 1 1 59 59 THR HA H 1 4.698 0.020 . . . . . . 1147 THR HA . 16623 1 583 . 1 1 59 59 THR HB H 1 4.506 0.005 . . . . . . 1147 THR HB . 16623 1 584 . 1 1 59 59 THR HG21 H 1 1.137 0.019 . . . . . . 1147 THR HG2 . 16623 1 585 . 1 1 59 59 THR HG22 H 1 1.137 0.019 . . . . . . 1147 THR HG2 . 16623 1 586 . 1 1 59 59 THR HG23 H 1 1.137 0.019 . . . . . . 1147 THR HG2 . 16623 1 587 . 1 1 59 59 THR CB C 13 71.328 0.250 . . . . . . 1147 THR CB . 16623 1 588 . 1 1 59 59 THR N N 15 112.465 0.029 . . . . . . 1147 THR N . 16623 1 589 . 1 1 60 60 GLU H H 1 9.176 0.006 . . . . . . 1148 GLU H . 16623 1 590 . 1 1 60 60 GLU HA H 1 3.689 0.002 . . . . . . 1148 GLU HA . 16623 1 591 . 1 1 60 60 GLU HB2 H 1 2.009 0.017 . . . . . . 1148 GLU HB . 16623 1 592 . 1 1 60 60 GLU HB3 H 1 2.009 0.017 . . . . . . 1148 GLU HB . 16623 1 593 . 1 1 60 60 GLU HG2 H 1 2.193 0.008 . . . . . . 1148 GLU HG . 16623 1 594 . 1 1 60 60 GLU HG3 H 1 2.193 0.008 . . . . . . 1148 GLU HG . 16623 1 595 . 1 1 60 60 GLU CA C 13 59.662 0.113 . . . . . . 1148 GLU CA . 16623 1 596 . 1 1 60 60 GLU CB C 13 29.011 0.000 . . . . . . 1148 GLU CB . 16623 1 597 . 1 1 60 60 GLU CG C 13 36.302 0.073 . . . . . . 1148 GLU CG . 16623 1 598 . 1 1 60 60 GLU N N 15 121.368 0.033 . . . . . . 1148 GLU N . 16623 1 599 . 1 1 61 61 SER H H 1 8.140 0.010 . . . . . . 1149 SER H . 16623 1 600 . 1 1 61 61 SER HA H 1 4.235 0.000 . . . . . . 1149 SER HA . 16623 1 601 . 1 1 61 61 SER HB2 H 1 3.908 0.011 . . . . . . 1149 SER HB . 16623 1 602 . 1 1 61 61 SER HB3 H 1 3.908 0.011 . . . . . . 1149 SER HB . 16623 1 603 . 1 1 61 61 SER N N 15 113.133 0.017 . . . . . . 1149 SER N . 16623 1 604 . 1 1 62 62 MET H H 1 7.603 0.007 . . . . . . 1150 MET H . 16623 1 605 . 1 1 62 62 MET HA H 1 4.304 0.009 . . . . . . 1150 MET HA . 16623 1 606 . 1 1 62 62 MET HB2 H 1 2.346 0.003 . . . . . . 1150 MET HB2 . 16623 1 607 . 1 1 62 62 MET HB3 H 1 2.127 0.000 . . . . . . 1150 MET HB3 . 16623 1 608 . 1 1 62 62 MET HG2 H 1 2.688 0.023 . . . . . . 1150 MET HG . 16623 1 609 . 1 1 62 62 MET HG3 H 1 2.688 0.023 . . . . . . 1150 MET HG . 16623 1 610 . 1 1 62 62 MET CA C 13 56.357 0.000 . . . . . . 1150 MET CA . 16623 1 611 . 1 1 62 62 MET CB C 13 33.124 0.000 . . . . . . 1150 MET CB . 16623 1 612 . 1 1 62 62 MET CG C 13 32.409 0.188 . . . . . . 1150 MET CG . 16623 1 613 . 1 1 62 62 MET N N 15 118.791 0.024 . . . . . . 1150 MET N . 16623 1 614 . 1 1 63 63 LEU H H 1 7.214 0.007 . . . . . . 1151 LEU H . 16623 1 615 . 1 1 63 63 LEU HA H 1 4.294 0.005 . . . . . . 1151 LEU HA . 16623 1 616 . 1 1 63 63 LEU HB2 H 1 2.022 0.002 . . . . . . 1151 LEU HB2 . 16623 1 617 . 1 1 63 63 LEU HB3 H 1 0.964 0.017 . . . . . . 1151 LEU HB3 . 16623 1 618 . 1 1 63 63 LEU HD11 H 1 0.822 0.004 . . . . . . 1151 LEU HD1 . 16623 1 619 . 1 1 63 63 LEU HD12 H 1 0.822 0.004 . . . . . . 1151 LEU HD1 . 16623 1 620 . 1 1 63 63 LEU HD13 H 1 0.822 0.004 . . . . . . 1151 LEU HD1 . 16623 1 621 . 1 1 63 63 LEU HD21 H 1 0.862 0.000 . . . . . . 1151 LEU HD2 . 16623 1 622 . 1 1 63 63 LEU HD22 H 1 0.862 0.000 . . . . . . 1151 LEU HD2 . 16623 1 623 . 1 1 63 63 LEU HD23 H 1 0.862 0.000 . . . . . . 1151 LEU HD2 . 16623 1 624 . 1 1 63 63 LEU HG H 1 0.895 0.002 . . . . . . 1151 LEU HG . 16623 1 625 . 1 1 63 63 LEU CA C 13 54.871 0.051 . . . . . . 1151 LEU CA . 16623 1 626 . 1 1 63 63 LEU CB C 13 41.941 0.084 . . . . . . 1151 LEU CB . 16623 1 627 . 1 1 63 63 LEU CD1 C 13 23.496 0.000 . . . . . . 1151 LEU CD1 . 16623 1 628 . 1 1 63 63 LEU CG C 13 25.867 0.000 . . . . . . 1151 LEU CG . 16623 1 629 . 1 1 63 63 LEU N N 15 117.130 0.023 . . . . . . 1151 LEU N . 16623 1 630 . 1 1 64 64 GLU H H 1 8.116 0.006 . . . . . . 1152 GLU H . 16623 1 631 . 1 1 64 64 GLU HA H 1 5.077 0.005 . . . . . . 1152 GLU HA . 16623 1 632 . 1 1 64 64 GLU HB2 H 1 1.918 0.006 . . . . . . 1152 GLU HB2 . 16623 1 633 . 1 1 64 64 GLU HB3 H 1 2.120 0.005 . . . . . . 1152 GLU HB3 . 16623 1 634 . 1 1 64 64 GLU HG2 H 1 2.297 0.008 . . . . . . 1152 GLU HG . 16623 1 635 . 1 1 64 64 GLU HG3 H 1 2.297 0.008 . . . . . . 1152 GLU HG . 16623 1 636 . 1 1 64 64 GLU CA C 13 52.851 0.125 . . . . . . 1152 GLU CA . 16623 1 637 . 1 1 64 64 GLU CB C 13 32.615 0.132 . . . . . . 1152 GLU CB . 16623 1 638 . 1 1 64 64 GLU N N 15 123.379 0.045 . . . . . . 1152 GLU N . 16623 1 639 . 1 1 65 65 PRO HA H 1 4.634 0.000 . . . . . . 1153 PRO HA . 16623 1 640 . 1 1 65 65 PRO HB2 H 1 2.407 0.005 . . . . . . 1153 PRO HB2 . 16623 1 641 . 1 1 65 65 PRO HB3 H 1 1.935 0.005 . . . . . . 1153 PRO HB3 . 16623 1 642 . 1 1 65 65 PRO HD2 H 1 3.929 0.004 . . . . . . 1153 PRO HD2 . 16623 1 643 . 1 1 65 65 PRO HD3 H 1 3.810 0.005 . . . . . . 1153 PRO HD3 . 16623 1 644 . 1 1 65 65 PRO HG2 H 1 2.122 0.003 . . . . . . 1153 PRO HG . 16623 1 645 . 1 1 65 65 PRO HG3 H 1 2.122 0.003 . . . . . . 1153 PRO HG . 16623 1 646 . 1 1 65 65 PRO CB C 13 33.100 0.007 . . . . . . 1153 PRO CB . 16623 1 647 . 1 1 65 65 PRO CD C 13 50.801 0.032 . . . . . . 1153 PRO CD . 16623 1 648 . 1 1 66 66 VAL H H 1 7.439 0.002 . . . . . . 1154 VAL H . 16623 1 649 . 1 1 66 66 VAL HA H 1 4.637 0.013 . . . . . . 1154 VAL HA . 16623 1 650 . 1 1 66 66 VAL HB H 1 2.114 0.004 . . . . . . 1154 VAL HB . 16623 1 651 . 1 1 66 66 VAL HG11 H 1 0.985 0.005 . . . . . . 1154 VAL HG1 . 16623 1 652 . 1 1 66 66 VAL HG12 H 1 0.985 0.005 . . . . . . 1154 VAL HG1 . 16623 1 653 . 1 1 66 66 VAL HG13 H 1 0.985 0.005 . . . . . . 1154 VAL HG1 . 16623 1 654 . 1 1 66 66 VAL HG21 H 1 0.889 0.002 . . . . . . 1154 VAL HG2 . 16623 1 655 . 1 1 66 66 VAL HG22 H 1 0.889 0.002 . . . . . . 1154 VAL HG2 . 16623 1 656 . 1 1 66 66 VAL HG23 H 1 0.889 0.002 . . . . . . 1154 VAL HG2 . 16623 1 657 . 1 1 66 66 VAL CB C 13 30.784 0.225 . . . . . . 1154 VAL CB . 16623 1 658 . 1 1 66 66 VAL N N 15 119.102 0.022 . . . . . . 1154 VAL N . 16623 1 659 . 1 1 67 67 PRO HA H 1 4.290 0.007 . . . . . . 1155 PRO HA . 16623 1 660 . 1 1 67 67 PRO HB2 H 1 2.365 0.004 . . . . . . 1155 PRO HB2 . 16623 1 661 . 1 1 67 67 PRO HB3 H 1 2.038 0.008 . . . . . . 1155 PRO HB3 . 16623 1 662 . 1 1 67 67 PRO HD2 H 1 3.352 0.003 . . . . . . 1155 PRO HD2 . 16623 1 663 . 1 1 67 67 PRO HD3 H 1 3.969 0.015 . . . . . . 1155 PRO HD3 . 16623 1 664 . 1 1 67 67 PRO HG2 H 1 2.096 0.000 . . . . . . 1155 PRO HG2 . 16623 1 665 . 1 1 67 67 PRO HG3 H 1 2.025 0.000 . . . . . . 1155 PRO HG3 . 16623 1 666 . 1 1 67 67 PRO CA C 13 65.439 0.000 . . . . . . 1155 PRO CA . 16623 1 667 . 1 1 67 67 PRO CB C 13 31.745 0.132 . . . . . . 1155 PRO CB . 16623 1 668 . 1 1 67 67 PRO CD C 13 50.980 0.173 . . . . . . 1155 PRO CD . 16623 1 669 . 1 1 67 67 PRO CG C 13 27.386 0.045 . . . . . . 1155 PRO CG . 16623 1 670 . 1 1 68 68 GLU H H 1 9.729 0.010 . . . . . . 1156 GLU H . 16623 1 671 . 1 1 68 68 GLU HA H 1 4.130 0.002 . . . . . . 1156 GLU HA . 16623 1 672 . 1 1 68 68 GLU HB2 H 1 2.011 0.005 . . . . . . 1156 GLU HB . 16623 1 673 . 1 1 68 68 GLU HB3 H 1 2.011 0.005 . . . . . . 1156 GLU HB . 16623 1 674 . 1 1 68 68 GLU HG2 H 1 2.330 0.002 . . . . . . 1156 GLU HG . 16623 1 675 . 1 1 68 68 GLU HG3 H 1 2.330 0.002 . . . . . . 1156 GLU HG . 16623 1 676 . 1 1 68 68 GLU CA C 13 59.652 0.038 . . . . . . 1156 GLU CA . 16623 1 677 . 1 1 68 68 GLU CB C 13 28.105 0.000 . . . . . . 1156 GLU CB . 16623 1 678 . 1 1 68 68 GLU CG C 13 36.286 0.000 . . . . . . 1156 GLU CG . 16623 1 679 . 1 1 68 68 GLU N N 15 119.049 0.040 . . . . . . 1156 GLU N . 16623 1 680 . 1 1 69 69 LEU H H 1 6.791 0.006 . . . . . . 1157 LEU H . 16623 1 681 . 1 1 69 69 LEU HA H 1 4.379 0.017 . . . . . . 1157 LEU HA . 16623 1 682 . 1 1 69 69 LEU HB2 H 1 1.717 0.002 . . . . . . 1157 LEU HB2 . 16623 1 683 . 1 1 69 69 LEU HB3 H 1 1.622 0.006 . . . . . . 1157 LEU HB3 . 16623 1 684 . 1 1 69 69 LEU HD11 H 1 1.023 0.001 . . . . . . 1157 LEU HD1 . 16623 1 685 . 1 1 69 69 LEU HD12 H 1 1.023 0.001 . . . . . . 1157 LEU HD1 . 16623 1 686 . 1 1 69 69 LEU HD13 H 1 1.023 0.001 . . . . . . 1157 LEU HD1 . 16623 1 687 . 1 1 69 69 LEU HG H 1 0.991 0.006 . . . . . . 1157 LEU HG . 16623 1 688 . 1 1 69 69 LEU CA C 13 56.605 0.057 . . . . . . 1157 LEU CA . 16623 1 689 . 1 1 69 69 LEU CB C 13 42.215 0.031 . . . . . . 1157 LEU CB . 16623 1 690 . 1 1 69 69 LEU CD1 C 13 22.573 0.000 . . . . . . 1157 LEU CD1 . 16623 1 691 . 1 1 69 69 LEU CG C 13 24.988 0.175 . . . . . . 1157 LEU CG . 16623 1 692 . 1 1 69 69 LEU N N 15 120.684 0.033 . . . . . . 1157 LEU N . 16623 1 693 . 1 1 70 70 LYS H H 1 7.727 0.004 . . . . . . 1158 LYS H . 16623 1 694 . 1 1 70 70 LYS HA H 1 3.547 0.014 . . . . . . 1158 LYS HA . 16623 1 695 . 1 1 70 70 LYS HB2 H 1 2.140 0.000 . . . . . . 1158 LYS HB2 . 16623 1 696 . 1 1 70 70 LYS HB3 H 1 1.823 0.003 . . . . . . 1158 LYS HB3 . 16623 1 697 . 1 1 70 70 LYS HG2 H 1 1.533 0.013 . . . . . . 1158 LYS HG2 . 16623 1 698 . 1 1 70 70 LYS HG3 H 1 1.392 0.016 . . . . . . 1158 LYS HG3 . 16623 1 699 . 1 1 70 70 LYS CA C 13 60.831 0.138 . . . . . . 1158 LYS CA . 16623 1 700 . 1 1 70 70 LYS CB C 13 33.132 0.243 . . . . . . 1158 LYS CB . 16623 1 701 . 1 1 70 70 LYS CG C 13 25.237 0.106 . . . . . . 1158 LYS CG . 16623 1 702 . 1 1 70 70 LYS N N 15 120.007 0.041 . . . . . . 1158 LYS N . 16623 1 703 . 1 1 71 71 GLU H H 1 8.055 0.008 . . . . . . 1159 GLU H . 16623 1 704 . 1 1 71 71 GLU HA H 1 4.059 0.006 . . . . . . 1159 GLU HA . 16623 1 705 . 1 1 71 71 GLU HB2 H 1 2.078 0.005 . . . . . . 1159 GLU HB . 16623 1 706 . 1 1 71 71 GLU HB3 H 1 2.078 0.005 . . . . . . 1159 GLU HB . 16623 1 707 . 1 1 71 71 GLU CB C 13 29.306 0.000 . . . . . . 1159 GLU CB . 16623 1 708 . 1 1 71 71 GLU N N 15 116.323 0.071 . . . . . . 1159 GLU N . 16623 1 709 . 1 1 72 72 GLN H H 1 7.525 0.010 . . . . . . 1160 GLN H . 16623 1 710 . 1 1 72 72 GLN HA H 1 4.109 0.002 . . . . . . 1160 GLN HA . 16623 1 711 . 1 1 72 72 GLN HB2 H 1 2.302 0.000 . . . . . . 1160 GLN HB2 . 16623 1 712 . 1 1 72 72 GLN HB3 H 1 2.212 0.005 . . . . . . 1160 GLN HB3 . 16623 1 713 . 1 1 72 72 GLN HG2 H 1 2.696 0.009 . . . . . . 1160 GLN HG2 . 16623 1 714 . 1 1 72 72 GLN HG3 H 1 2.456 0.015 . . . . . . 1160 GLN HG3 . 16623 1 715 . 1 1 72 72 GLN CA C 13 59.192 0.036 . . . . . . 1160 GLN CA . 16623 1 716 . 1 1 72 72 GLN CB C 13 29.152 0.101 . . . . . . 1160 GLN CB . 16623 1 717 . 1 1 72 72 GLN CG C 13 34.232 0.060 . . . . . . 1160 GLN CG . 16623 1 718 . 1 1 72 72 GLN N N 15 120.339 0.025 . . . . . . 1160 GLN N . 16623 1 719 . 1 1 73 73 ILE H H 1 8.251 0.002 . . . . . . 1161 ILE H . 16623 1 720 . 1 1 73 73 ILE HA H 1 2.874 0.005 . . . . . . 1161 ILE HA . 16623 1 721 . 1 1 73 73 ILE HB H 1 1.558 0.003 . . . . . . 1161 ILE HB . 16623 1 722 . 1 1 73 73 ILE HD11 H 1 0.587 0.012 . . . . . . 1161 ILE HD1 . 16623 1 723 . 1 1 73 73 ILE HD12 H 1 0.587 0.012 . . . . . . 1161 ILE HD1 . 16623 1 724 . 1 1 73 73 ILE HD13 H 1 0.587 0.012 . . . . . . 1161 ILE HD1 . 16623 1 725 . 1 1 73 73 ILE HG12 H 1 0.916 0.009 . . . . . . 1161 ILE HG12 . 16623 1 726 . 1 1 73 73 ILE HG13 H 1 -0.596 0.013 . . . . . . 1161 ILE HG13 . 16623 1 727 . 1 1 73 73 ILE HG21 H 1 0.849 0.004 . . . . . . 1161 ILE HG2 . 16623 1 728 . 1 1 73 73 ILE HG22 H 1 0.849 0.004 . . . . . . 1161 ILE HG2 . 16623 1 729 . 1 1 73 73 ILE HG23 H 1 0.849 0.004 . . . . . . 1161 ILE HG2 . 16623 1 730 . 1 1 73 73 ILE CA C 13 66.007 0.168 . . . . . . 1161 ILE CA . 16623 1 731 . 1 1 73 73 ILE CB C 13 38.206 0.143 . . . . . . 1161 ILE CB . 16623 1 732 . 1 1 73 73 ILE CD1 C 13 14.351 0.086 . . . . . . 1161 ILE CD1 . 16623 1 733 . 1 1 73 73 ILE CG1 C 13 28.430 0.034 . . . . . . 1161 ILE CG1 . 16623 1 734 . 1 1 73 73 ILE N N 15 122.210 0.043 . . . . . . 1161 ILE N . 16623 1 735 . 1 1 74 74 GLN H H 1 8.261 0.004 . . . . . . 1162 GLN H . 16623 1 736 . 1 1 74 74 GLN HA H 1 3.990 0.009 . . . . . . 1162 GLN HA . 16623 1 737 . 1 1 74 74 GLN HB2 H 1 2.163 0.012 . . . . . . 1162 GLN HB . 16623 1 738 . 1 1 74 74 GLN HB3 H 1 2.163 0.012 . . . . . . 1162 GLN HB . 16623 1 739 . 1 1 74 74 GLN HG2 H 1 2.623 0.002 . . . . . . 1162 GLN HG2 . 16623 1 740 . 1 1 74 74 GLN HG3 H 1 2.404 0.007 . . . . . . 1162 GLN HG3 . 16623 1 741 . 1 1 74 74 GLN CA C 13 59.324 0.000 . . . . . . 1162 GLN CA . 16623 1 742 . 1 1 74 74 GLN CB C 13 28.151 0.000 . . . . . . 1162 GLN CB . 16623 1 743 . 1 1 74 74 GLN CG C 13 34.572 0.046 . . . . . . 1162 GLN CG . 16623 1 744 . 1 1 74 74 GLN N N 15 118.104 0.019 . . . . . . 1162 GLN N . 16623 1 745 . 1 1 75 75 ALA H H 1 8.260 0.016 . . . . . . 1163 ALA H . 16623 1 746 . 1 1 75 75 ALA HA H 1 4.085 0.008 . . . . . . 1163 ALA HA . 16623 1 747 . 1 1 75 75 ALA HB1 H 1 1.573 0.003 . . . . . . 1163 ALA HB . 16623 1 748 . 1 1 75 75 ALA HB2 H 1 1.573 0.003 . . . . . . 1163 ALA HB . 16623 1 749 . 1 1 75 75 ALA HB3 H 1 1.573 0.003 . . . . . . 1163 ALA HB . 16623 1 750 . 1 1 75 75 ALA CA C 13 55.577 0.000 . . . . . . 1163 ALA CA . 16623 1 751 . 1 1 75 75 ALA CB C 13 18.113 0.000 . . . . . . 1163 ALA CB . 16623 1 752 . 1 1 75 75 ALA N N 15 122.129 0.054 . . . . . . 1163 ALA N . 16623 1 753 . 1 1 76 76 TRP H H 1 8.116 0.003 . . . . . . 1164 TRP H . 16623 1 754 . 1 1 76 76 TRP HA H 1 4.268 0.003 . . . . . . 1164 TRP HA . 16623 1 755 . 1 1 76 76 TRP HB2 H 1 3.753 0.005 . . . . . . 1164 TRP HB2 . 16623 1 756 . 1 1 76 76 TRP HB3 H 1 3.552 0.003 . . . . . . 1164 TRP HB3 . 16623 1 757 . 1 1 76 76 TRP HE3 H 1 7.540 0.002 . . . . . . 1164 TRP HE3 . 16623 1 758 . 1 1 76 76 TRP HH2 H 1 7.298 0.002 . . . . . . 1164 TRP HH2 . 16623 1 759 . 1 1 76 76 TRP HZ2 H 1 7.416 0.002 . . . . . . 1164 TRP HZ2 . 16623 1 760 . 1 1 76 76 TRP HZ3 H 1 7.065 0.002 . . . . . . 1164 TRP HZ3 . 16623 1 761 . 1 1 76 76 TRP CA C 13 62.112 0.176 . . . . . . 1164 TRP CA . 16623 1 762 . 1 1 76 76 TRP CB C 13 29.272 0.023 . . . . . . 1164 TRP CB . 16623 1 763 . 1 1 76 76 TRP N N 15 122.036 0.027 . . . . . . 1164 TRP N . 16623 1 764 . 1 1 77 77 MET H H 1 8.863 0.003 . . . . . . 1165 MET H . 16623 1 765 . 1 1 77 77 MET HA H 1 3.580 0.010 . . . . . . 1165 MET HA . 16623 1 766 . 1 1 77 77 MET HB2 H 1 2.146 0.001 . . . . . . 1165 MET HB . 16623 1 767 . 1 1 77 77 MET HB3 H 1 2.146 0.001 . . . . . . 1165 MET HB . 16623 1 768 . 1 1 77 77 MET HG2 H 1 3.000 0.005 . . . . . . 1165 MET HG2 . 16623 1 769 . 1 1 77 77 MET HG3 H 1 2.273 0.014 . . . . . . 1165 MET HG3 . 16623 1 770 . 1 1 77 77 MET CA C 13 59.805 0.040 . . . . . . 1165 MET CA . 16623 1 771 . 1 1 77 77 MET CB C 13 33.615 0.000 . . . . . . 1165 MET CB . 16623 1 772 . 1 1 77 77 MET CG C 13 32.594 0.000 . . . . . . 1165 MET CG . 16623 1 773 . 1 1 77 77 MET N N 15 117.851 0.029 . . . . . . 1165 MET N . 16623 1 774 . 1 1 78 78 ARG H H 1 8.006 0.007 . . . . . . 1166 ARG H . 16623 1 775 . 1 1 78 78 ARG HA H 1 3.987 0.005 . . . . . . 1166 ARG HA . 16623 1 776 . 1 1 78 78 ARG HB2 H 1 1.953 0.016 . . . . . . 1166 ARG HB . 16623 1 777 . 1 1 78 78 ARG HB3 H 1 1.953 0.016 . . . . . . 1166 ARG HB . 16623 1 778 . 1 1 78 78 ARG HD2 H 1 3.212 0.011 . . . . . . 1166 ARG HD . 16623 1 779 . 1 1 78 78 ARG HD3 H 1 3.212 0.011 . . . . . . 1166 ARG HD . 16623 1 780 . 1 1 78 78 ARG HG2 H 1 1.041 0.000 . . . . . . 1166 ARG HG . 16623 1 781 . 1 1 78 78 ARG HG3 H 1 1.041 0.000 . . . . . . 1166 ARG HG . 16623 1 782 . 1 1 78 78 ARG CA C 13 59.177 0.000 . . . . . . 1166 ARG CA . 16623 1 783 . 1 1 78 78 ARG CB C 13 30.286 0.000 . . . . . . 1166 ARG CB . 16623 1 784 . 1 1 78 78 ARG CG C 13 27.592 0.000 . . . . . . 1166 ARG CG . 16623 1 785 . 1 1 78 78 ARG N N 15 118.609 0.023 . . . . . . 1166 ARG N . 16623 1 786 . 1 1 79 79 GLU H H 1 7.733 0.012 . . . . . . 1167 GLU H . 16623 1 787 . 1 1 79 79 GLU HA H 1 4.023 0.010 . . . . . . 1167 GLU HA . 16623 1 788 . 1 1 79 79 GLU HB2 H 1 2.041 0.005 . . . . . . 1167 GLU HB . 16623 1 789 . 1 1 79 79 GLU HB3 H 1 2.041 0.005 . . . . . . 1167 GLU HB . 16623 1 790 . 1 1 79 79 GLU HG3 H 1 2.249 0.000 . . . . . . 1167 GLU HG3 . 16623 1 791 . 1 1 79 79 GLU CA C 13 59.161 0.000 . . . . . . 1167 GLU CA . 16623 1 792 . 1 1 79 79 GLU CB C 13 28.801 0.000 . . . . . . 1167 GLU CB . 16623 1 793 . 1 1 79 79 GLU CG C 13 36.235 0.000 . . . . . . 1167 GLU CG . 16623 1 794 . 1 1 79 79 GLU N N 15 119.999 0.006 . . . . . . 1167 GLU N . 16623 1 795 . 1 1 80 80 LYS H H 1 7.608 0.003 . . . . . . 1168 LYS H . 16623 1 796 . 1 1 80 80 LYS HA H 1 3.892 0.007 . . . . . . 1168 LYS HA . 16623 1 797 . 1 1 80 80 LYS HB2 H 1 1.558 0.001 . . . . . . 1168 LYS HB2 . 16623 1 798 . 1 1 80 80 LYS HB3 H 1 1.494 0.019 . . . . . . 1168 LYS HB3 . 16623 1 799 . 1 1 80 80 LYS HD2 H 1 1.259 0.002 . . . . . . 1168 LYS HD . 16623 1 800 . 1 1 80 80 LYS HD3 H 1 1.259 0.002 . . . . . . 1168 LYS HD . 16623 1 801 . 1 1 80 80 LYS HE2 H 1 2.717 0.000 . . . . . . 1168 LYS HE2 . 16623 1 802 . 1 1 80 80 LYS HE3 H 1 2.586 0.000 . . . . . . 1168 LYS HE3 . 16623 1 803 . 1 1 80 80 LYS HG2 H 1 0.825 0.011 . . . . . . 1168 LYS HG2 . 16623 1 804 . 1 1 80 80 LYS HG3 H 1 0.553 0.017 . . . . . . 1168 LYS HG3 . 16623 1 805 . 1 1 80 80 LYS CA C 13 56.762 0.101 . . . . . . 1168 LYS CA . 16623 1 806 . 1 1 80 80 LYS CB C 13 31.546 0.035 . . . . . . 1168 LYS CB . 16623 1 807 . 1 1 80 80 LYS CD C 13 28.253 0.000 . . . . . . 1168 LYS CD . 16623 1 808 . 1 1 80 80 LYS CE C 13 41.978 0.085 . . . . . . 1168 LYS CE . 16623 1 809 . 1 1 80 80 LYS CG C 13 23.389 0.027 . . . . . . 1168 LYS CG . 16623 1 810 . 1 1 80 80 LYS N N 15 118.900 0.057 . . . . . . 1168 LYS N . 16623 1 811 . 1 1 81 81 GLN H H 1 7.678 0.009 . . . . . . 1169 GLN H . 16623 1 812 . 1 1 81 81 GLN HA H 1 4.117 0.011 . . . . . . 1169 GLN HA . 16623 1 813 . 1 1 81 81 GLN HB2 H 1 2.138 0.025 . . . . . . 1169 GLN HB2 . 16623 1 814 . 1 1 81 81 GLN HB3 H 1 2.058 0.013 . . . . . . 1169 GLN HB3 . 16623 1 815 . 1 1 81 81 GLN HG2 H 1 2.395 0.000 . . . . . . 1169 GLN HG . 16623 1 816 . 1 1 81 81 GLN HG3 H 1 2.395 0.000 . . . . . . 1169 GLN HG . 16623 1 817 . 1 1 81 81 GLN CA C 13 56.899 0.000 . . . . . . 1169 GLN CA . 16623 1 818 . 1 1 81 81 GLN CB C 13 29.215 0.041 . . . . . . 1169 GLN CB . 16623 1 819 . 1 1 81 81 GLN N N 15 116.840 0.008 . . . . . . 1169 GLN N . 16623 1 820 . 1 1 82 82 SER H H 1 7.791 0.001 . . . . . . 1170 SER H . 16623 1 821 . 1 1 82 82 SER HA H 1 4.431 0.013 . . . . . . 1170 SER HA . 16623 1 822 . 1 1 82 82 SER HB2 H 1 3.869 0.021 . . . . . . 1170 SER HB . 16623 1 823 . 1 1 82 82 SER HB3 H 1 3.869 0.021 . . . . . . 1170 SER HB . 16623 1 824 . 1 1 82 82 SER CA C 13 58.679 0.133 . . . . . . 1170 SER CA . 16623 1 825 . 1 1 82 82 SER N N 15 114.774 0.079 . . . . . . 1170 SER N . 16623 1 826 . 1 1 83 83 SER H H 1 8.055 0.002 . . . . . . 1171 SER H . 16623 1 827 . 1 1 83 83 SER HB2 H 1 3.887 0.000 . . . . . . 1171 SER HB . 16623 1 828 . 1 1 83 83 SER HB3 H 1 3.887 0.000 . . . . . . 1171 SER HB . 16623 1 829 . 1 1 83 83 SER CB C 13 63.990 0.000 . . . . . . 1171 SER CB . 16623 1 830 . 1 1 83 83 SER N N 15 117.090 0.010 . . . . . . 1171 SER N . 16623 1 831 . 1 1 84 84 ASP H H 1 8.251 0.000 . . . . . . 1172 ASP H . 16623 1 832 . 1 1 84 84 ASP HA H 1 4.575 0.003 . . . . . . 1172 ASP HA . 16623 1 833 . 1 1 84 84 ASP HB2 H 1 2.544 0.000 . . . . . . 1172 ASP HB . 16623 1 834 . 1 1 84 84 ASP HB3 H 1 2.544 0.000 . . . . . . 1172 ASP HB . 16623 1 835 . 1 1 84 84 ASP CB C 13 41.865 0.000 . . . . . . 1172 ASP CB . 16623 1 836 . 1 1 84 84 ASP N N 15 122.314 0.111 . . . . . . 1172 ASP N . 16623 1 837 . 1 1 85 85 HIS H H 1 7.807 0.001 . . . . . . 1173 HIS H . 16623 1 838 . 1 1 85 85 HIS HB2 H 1 3.191 0.000 . . . . . . 1173 HIS HB2 . 16623 1 839 . 1 1 85 85 HIS HB3 H 1 3.142 0.004 . . . . . . 1173 HIS HB3 . 16623 1 840 . 1 1 85 85 HIS CB C 13 30.504 0.552 . . . . . . 1173 HIS CB . 16623 1 841 . 1 1 85 85 HIS N N 15 122.681 0.029 . . . . . . 1173 HIS N . 16623 1 stop_ save_