data_17663 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17663 _Entry.Title ; HVS ORF57 56-140 backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-25 _Entry.Accession_date 2011-05-25 _Entry.Last_release_date 2011-09-01 _Entry.Original_release_date 2011-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The file contains assignments for ORF57 56-140 free form at 303k' _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 Richard Tunnicliffe . B. . 17663 2 Guillaume Hautbergue . M. . 17663 3 Stuart Wilson . A. . 17663 4 Alexander Golovanov . P. . 17663 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17663 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 17663 '15N chemical shifts' 73 17663 '1H chemical shifts' 224 17663 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-01 2011-05-25 original author . 17663 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17664 'ORF57 103-120' 17663 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17663 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21253573 _Citation.Full_citation . _Citation.Title 'Structural basis for the recognition of cellular mRNA export factor REF by herpes viral proteins HSV-1 ICP27 and HVS ORF57.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2011 _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 Richard Tunnicliffe . B. . 17663 1 2 Guillaume Hautbergue . M. . 17663 1 3 Priti Kalra . . . 17663 1 4 Brian Jackson . R. . 17663 1 5 Adrian Whitehouse . . . 17663 1 6 Stuart Wilson . A. . 17663 1 7 Alexander Golovanov . P. . 17663 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Herpes 17663 1 RNA 17663 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17663 _Assembly.ID 1 _Assembly.Name 'ORF57 56-140' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12445.9 _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 'ORF57 56-140' 1 $HVS_ORF57 A . yes native no no . . . 17663 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HVS_ORF57 _Entity.Sf_category entity _Entity.Sf_framecode HVS_ORF57 _Entity.Entry_ID 17663 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HVS_ORF57 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASMTGGQQMGRDPSTSNLK RERQRSPITWEHQSPLSRVY RSPSPMRFGKRPRISSNSTS RSCKTSWADRVREAAAQRRP SRPFRKPYSHPRNGPLRNGL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal sequence masmtggqqmgrdp and C-terminal sequence lehhhhhh are non-native from cloning' _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ORF57 56-140' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 EMBL CAA45680 . "unnamed protein product [Saimiriine herpesvirus 2]" . . . . . 79.44 417 100.00 100.00 3.28e-50 . . . . 17663 1 2 no EMBL CAC84353 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 79.44 427 98.82 98.82 5.10e-49 . . . . 17663 1 3 no EMBL CAC84354 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 79.44 385 98.82 98.82 3.64e-49 . . . . 17663 1 4 no GB AAA46125 . "transactivator, partial [Saimiriine herpesvirus 2]" . . . . . 79.44 412 100.00 100.00 3.13e-50 . . . . 17663 1 5 no GB AAA66558 . "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" . . . . . 79.44 384 100.00 100.00 2.24e-50 . . . . 17663 1 6 no PIR WMBEHA . "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" . . . . . 79.44 417 100.00 100.00 3.28e-50 . . . . 17663 1 7 no REF NP_040259 . "unnamed protein product [Saimiriine herpesvirus 2]" . . . . . 79.44 417 100.00 100.00 3.28e-50 . . . . 17663 1 8 no SP P13199 . "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " . . . . . 79.44 417 100.00 100.00 3.28e-50 . . . . 17663 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 42 MET . 17663 1 2 43 ALA . 17663 1 3 99 SER . 17663 1 4 45 MET . 17663 1 5 46 THR . 17663 1 6 47 GLY . 17663 1 7 48 GLY . 17663 1 8 49 GLN . 17663 1 9 50 GLN . 17663 1 10 51 MET . 17663 1 11 52 GLY . 17663 1 12 53 ARG . 17663 1 13 54 ASP . 17663 1 14 55 PRO . 17663 1 15 56 SER . 17663 1 16 57 THR . 17663 1 17 58 SER . 17663 1 18 59 ASN . 17663 1 19 60 LEU . 17663 1 20 61 LYS . 17663 1 21 62 ARG . 17663 1 22 63 GLU . 17663 1 23 64 ARG . 17663 1 24 65 GLN . 17663 1 25 66 ARG . 17663 1 26 67 SER . 17663 1 27 68 PRO . 17663 1 28 69 ILE . 17663 1 29 70 THR . 17663 1 30 71 TRP . 17663 1 31 72 GLU . 17663 1 32 73 HIS . 17663 1 33 74 GLN . 17663 1 34 75 SER . 17663 1 35 76 PRO . 17663 1 36 77 LEU . 17663 1 37 78 SER . 17663 1 38 79 ARG . 17663 1 39 80 VAL . 17663 1 40 81 TYR . 17663 1 41 82 ARG . 17663 1 42 83 SER . 17663 1 43 84 PRO . 17663 1 44 85 SER . 17663 1 45 86 PRO . 17663 1 46 87 MET . 17663 1 47 88 ARG . 17663 1 48 89 PHE . 17663 1 49 90 GLY . 17663 1 50 91 LYS . 17663 1 51 92 ARG . 17663 1 52 93 PRO . 17663 1 53 94 ARG . 17663 1 54 95 ILE . 17663 1 55 96 SER . 17663 1 56 97 SER . 17663 1 57 98 ASN . 17663 1 58 99 SER . 17663 1 59 100 THR . 17663 1 60 101 SER . 17663 1 61 102 ARG . 17663 1 62 103 SER . 17663 1 63 104 CYS . 17663 1 64 105 LYS . 17663 1 65 106 THR . 17663 1 66 107 SER . 17663 1 67 108 TRP . 17663 1 68 109 ALA . 17663 1 69 110 ASP . 17663 1 70 111 ARG . 17663 1 71 112 VAL . 17663 1 72 113 ARG . 17663 1 73 114 GLU . 17663 1 74 116 ALA . 17663 1 75 117 ALA . 17663 1 76 117 ALA . 17663 1 77 118 GLN . 17663 1 78 119 ARG . 17663 1 79 120 ARG . 17663 1 80 121 PRO . 17663 1 81 122 SER . 17663 1 82 123 ARG . 17663 1 83 124 PRO . 17663 1 84 125 PHE . 17663 1 85 126 ARG . 17663 1 86 127 LYS . 17663 1 87 128 PRO . 17663 1 88 129 TYR . 17663 1 89 130 SER . 17663 1 90 131 HIS . 17663 1 91 132 PRO . 17663 1 92 133 ARG . 17663 1 93 134 ASN . 17663 1 94 135 GLY . 17663 1 95 136 PRO . 17663 1 96 137 LEU . 17663 1 97 138 ARG . 17663 1 98 139 ASN . 17663 1 99 140 GLY . 17663 1 100 141 LEU . 17663 1 101 142 GLU . 17663 1 102 143 HIS . 17663 1 103 144 HIS . 17663 1 104 145 HIS . 17663 1 105 146 HIS . 17663 1 106 147 HIS . 17663 1 107 148 HIS . 17663 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17663 1 . ALA 2 2 17663 1 . SER 3 3 17663 1 . MET 4 4 17663 1 . THR 5 5 17663 1 . GLY 6 6 17663 1 . GLY 7 7 17663 1 . GLN 8 8 17663 1 . GLN 9 9 17663 1 . MET 10 10 17663 1 . GLY 11 11 17663 1 . ARG 12 12 17663 1 . ASP 13 13 17663 1 . PRO 14 14 17663 1 . SER 15 15 17663 1 . THR 16 16 17663 1 . SER 17 17 17663 1 . ASN 18 18 17663 1 . LEU 19 19 17663 1 . LYS 20 20 17663 1 . ARG 21 21 17663 1 . GLU 22 22 17663 1 . ARG 23 23 17663 1 . GLN 24 24 17663 1 . ARG 25 25 17663 1 . SER 26 26 17663 1 . PRO 27 27 17663 1 . ILE 28 28 17663 1 . THR 29 29 17663 1 . TRP 30 30 17663 1 . GLU 31 31 17663 1 . HIS 32 32 17663 1 . GLN 33 33 17663 1 . SER 34 34 17663 1 . PRO 35 35 17663 1 . LEU 36 36 17663 1 . SER 37 37 17663 1 . ARG 38 38 17663 1 . VAL 39 39 17663 1 . TYR 40 40 17663 1 . ARG 41 41 17663 1 . SER 42 42 17663 1 . PRO 43 43 17663 1 . SER 44 44 17663 1 . PRO 45 45 17663 1 . MET 46 46 17663 1 . ARG 47 47 17663 1 . PHE 48 48 17663 1 . GLY 49 49 17663 1 . LYS 50 50 17663 1 . ARG 51 51 17663 1 . PRO 52 52 17663 1 . ARG 53 53 17663 1 . ILE 54 54 17663 1 . SER 55 55 17663 1 . SER 56 56 17663 1 . ASN 57 57 17663 1 . SER 58 58 17663 1 . THR 59 59 17663 1 . SER 60 60 17663 1 . ARG 61 61 17663 1 . SER 62 62 17663 1 . CYS 63 63 17663 1 . LYS 64 64 17663 1 . THR 65 65 17663 1 . SER 66 66 17663 1 . TRP 67 67 17663 1 . ALA 68 68 17663 1 . ASP 69 69 17663 1 . ARG 70 70 17663 1 . VAL 71 71 17663 1 . ARG 72 72 17663 1 . GLU 73 73 17663 1 . ALA 74 74 17663 1 . ALA 75 75 17663 1 . ALA 76 76 17663 1 . GLN 77 77 17663 1 . ARG 78 78 17663 1 . ARG 79 79 17663 1 . PRO 80 80 17663 1 . SER 81 81 17663 1 . ARG 82 82 17663 1 . PRO 83 83 17663 1 . PHE 84 84 17663 1 . ARG 85 85 17663 1 . LYS 86 86 17663 1 . PRO 87 87 17663 1 . TYR 88 88 17663 1 . SER 89 89 17663 1 . HIS 90 90 17663 1 . PRO 91 91 17663 1 . ARG 92 92 17663 1 . ASN 93 93 17663 1 . GLY 94 94 17663 1 . PRO 95 95 17663 1 . LEU 96 96 17663 1 . ARG 97 97 17663 1 . ASN 98 98 17663 1 . GLY 99 99 17663 1 . LEU 100 100 17663 1 . GLU 101 101 17663 1 . HIS 102 102 17663 1 . HIS 103 103 17663 1 . HIS 104 104 17663 1 . HIS 105 105 17663 1 . HIS 106 106 17663 1 . HIS 107 107 17663 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 17663 _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 $HVS_ORF57 . 10381 virus . 'Herpesvirus saimiri' 'Herpesvirus saimiri' . 00.031.3.02.014 Viruses . Herpesvirus saimiri . . . . . . . . . . . . . . . . . . . . . 17663 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 17663 _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 $HVS_ORF57 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3 RP' . . . . . . . . . . . . . . . pET24b . . . . . . 17663 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17663 _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 'HVS ORF57' '[U-95% 13C; U-95% 15N]' . . 1 $HVS_ORF57 . . 1.0 . . mM 0.05 . . . 17663 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17663 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17663 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17663 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17663 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 17663 1 pH 6.2 0.05 pH 17663 1 pressure 1 . atm 17663 1 temperature 303 0.1 K 17663 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17663 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17663 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17663 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17663 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17663 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17663 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 17663 1 2 spectrometer_2 Bruker DRX . 700 . . . 17663 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 17663 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17663 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17663 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17663 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17663 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17663 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17663 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17663 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17663 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17663 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 17663 _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 protons . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 17663 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . . . . . 17663 1 N 15 DSS protons . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17663 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 17663 _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' . . . 17663 1 2 '3D HNCA' . . . 17663 1 3 '3D HBHA(CO)NH' . . . 17663 1 4 '3D CBCA(CO)NH' . . . 17663 1 5 '3D 1H-15N NOESY' . . . 17663 1 6 '3D 1H-15N TOCSY' . . . 17663 1 7 '3D HNCO' . . . 17663 1 8 '3D HN(CA)CO' . . . 17663 1 9 '3D HNCACB' . . . 17663 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 19 19 LEU H H 1 8.075 0.01 . 1 . . . . 60 LEU H . 17663 1 2 . 1 1 19 19 LEU HA H 1 4.270 0.01 . 1 . . . . 60 LEU HA . 17663 1 3 . 1 1 19 19 LEU HB2 H 1 1.580 0.01 . 1 . . . . 60 LEU HB2 . 17663 1 4 . 1 1 19 19 LEU C C 13 177.370 0.1 . 1 . . . . 60 LEU C . 17663 1 5 . 1 1 19 19 LEU CA C 13 55.620 0.1 . 1 . . . . 60 LEU CA . 17663 1 6 . 1 1 19 19 LEU CB C 13 42.270 0.1 . 1 . . . . 60 LEU CB . 17663 1 7 . 1 1 19 19 LEU N N 15 122.200 0.1 . 1 . . . . 60 LEU N . 17663 1 8 . 1 1 20 20 LYS H H 1 8.212 0.01 . 1 . . . . 61 LYS H . 17663 1 9 . 1 1 20 20 LYS HA H 1 4.250 0.01 . 1 . . . . 61 LYS HA . 17663 1 10 . 1 1 20 20 LYS HB2 H 1 1.760 0.01 . 1 . . . . 61 LYS HB2 . 17663 1 11 . 1 1 20 20 LYS C C 13 176.600 0.1 . 1 . . . . 61 LYS C . 17663 1 12 . 1 1 20 20 LYS CA C 13 56.400 0.1 . 1 . . . . 61 LYS CA . 17663 1 13 . 1 1 20 20 LYS CB C 13 32.600 0.1 . 1 . . . . 61 LYS CB . 17663 1 14 . 1 1 20 20 LYS N N 15 121.865 0.1 . 1 . . . . 61 LYS N . 17663 1 15 . 1 1 21 21 ARG H H 1 8.322 0.01 . 1 . . . . 62 ARG H . 17663 1 16 . 1 1 21 21 ARG HA H 1 4.260 0.01 . 1 . . . . 62 ARG HA . 17663 1 17 . 1 1 21 21 ARG HB2 H 1 1.760 0.01 . 1 . . . . 62 ARG HB2 . 17663 1 18 . 1 1 21 21 ARG C C 13 176.270 0.1 . 1 . . . . 62 ARG C . 17663 1 19 . 1 1 21 21 ARG CA C 13 56.480 0.1 . 1 . . . . 62 ARG CA . 17663 1 20 . 1 1 21 21 ARG CB C 13 30.500 0.1 . 1 . . . . 62 ARG CB . 17663 1 21 . 1 1 21 21 ARG N N 15 121.818 0.1 . 1 . . . . 62 ARG N . 17663 1 22 . 1 1 22 22 GLU H H 1 8.341 0.01 . 1 . . . . 63 GLU H . 17663 1 23 . 1 1 22 22 GLU HA H 1 4.280 0.01 . 1 . . . . 63 GLU HA . 17663 1 24 . 1 1 22 22 GLU HB2 H 1 2.330 0.01 . 1 . . . . 63 GLU HB2 . 17663 1 25 . 1 1 22 22 GLU C C 13 175.850 0.1 . 1 . . . . 63 GLU C . 17663 1 26 . 1 1 22 22 GLU CA C 13 55.950 0.1 . 1 . . . . 63 GLU CA . 17663 1 27 . 1 1 22 22 GLU CB C 13 29.450 0.1 . 1 . . . . 63 GLU CB . 17663 1 28 . 1 1 22 22 GLU N N 15 121.488 0.1 . 1 . . . . 63 GLU N . 17663 1 29 . 1 1 23 23 ARG H H 1 8.353 0.01 . 1 . . . . 64 ARG H . 17663 1 30 . 1 1 23 23 ARG HA H 1 4.320 0.01 . 1 . . . . 64 ARG HA . 17663 1 31 . 1 1 23 23 ARG HB2 H 1 1.740 0.01 . 1 . . . . 64 ARG HB2 . 17663 1 32 . 1 1 23 23 ARG C C 13 176.040 0.1 . 1 . . . . 64 ARG C . 17663 1 33 . 1 1 23 23 ARG CA C 13 56.050 0.1 . 1 . . . . 64 ARG CA . 17663 1 34 . 1 1 23 23 ARG CB C 13 30.920 0.1 . 1 . . . . 64 ARG CB . 17663 1 35 . 1 1 23 23 ARG N N 15 122.574 0.1 . 1 . . . . 64 ARG N . 17663 1 36 . 1 1 24 24 GLN H H 1 8.226 0.01 . 1 . . . . 65 GLN H . 17663 1 37 . 1 1 24 24 GLN C C 13 176.590 0.1 . 1 . . . . 65 GLN C . 17663 1 38 . 1 1 24 24 GLN CA C 13 56.250 0.1 . 1 . . . . 65 GLN CA . 17663 1 39 . 1 1 24 24 GLN CB C 13 30.780 0.1 . 1 . . . . 65 GLN CB . 17663 1 40 . 1 1 24 24 GLN N N 15 122.037 0.1 . 1 . . . . 65 GLN N . 17663 1 41 . 1 1 25 25 ARG H H 1 8.203 0.01 . 1 . . . . 66 ARG H . 17663 1 42 . 1 1 25 25 ARG HA H 1 4.260 0.01 . 1 . . . . 66 ARG HA . 17663 1 43 . 1 1 25 25 ARG HB2 H 1 1.760 0.01 . 1 . . . . 66 ARG HB2 . 17663 1 44 . 1 1 25 25 ARG C C 13 176.380 0.1 . 1 . . . . 66 ARG C . 17663 1 45 . 1 1 25 25 ARG CA C 13 56.580 0.1 . 1 . . . . 66 ARG CA . 17663 1 46 . 1 1 25 25 ARG CB C 13 32.650 0.1 . 1 . . . . 66 ARG CB . 17663 1 47 . 1 1 25 25 ARG N N 15 122.043 0.1 . 1 . . . . 66 ARG N . 17663 1 48 . 1 1 26 26 SER H H 1 8.271 0.01 . 1 . . . . 67 SER H . 17663 1 49 . 1 1 26 26 SER HA H 1 4.440 0.01 . 1 . . . . 67 SER HA . 17663 1 50 . 1 1 26 26 SER HB2 H 1 3.840 0.01 . 1 . . . . 67 SER HB2 . 17663 1 51 . 1 1 26 26 SER N N 15 116.511 0.1 . 1 . . . . 67 SER N . 17663 1 52 . 1 1 27 27 PRO C C 13 176.730 0.1 . 1 . . . . 68 PRO C . 17663 1 53 . 1 1 27 27 PRO CA C 13 63.410 0.1 . 1 . . . . 68 PRO CA . 17663 1 54 . 1 1 27 27 PRO CB C 13 31.900 0.1 . 1 . . . . 68 PRO CB . 17663 1 55 . 1 1 28 28 ILE H H 1 8.073 0.01 . 1 . . . . 69 ILE H . 17663 1 56 . 1 1 28 28 ILE HA H 1 4.040 0.01 . 1 . . . . 69 ILE HA . 17663 1 57 . 1 1 28 28 ILE HB H 1 1.710 0.01 . 1 . . . . 69 ILE HB . 17663 1 58 . 1 1 28 28 ILE C C 13 176.380 0.1 . 1 . . . . 69 ILE C . 17663 1 59 . 1 1 28 28 ILE CA C 13 61.400 0.1 . 1 . . . . 69 ILE CA . 17663 1 60 . 1 1 28 28 ILE CB C 13 38.560 0.1 . 1 . . . . 69 ILE CB . 17663 1 61 . 1 1 28 28 ILE N N 15 120.489 0.1 . 1 . . . . 69 ILE N . 17663 1 62 . 1 1 29 29 THR H H 1 7.913 0.01 . 1 . . . . 70 THR H . 17663 1 63 . 1 1 29 29 THR HA H 1 4.280 0.01 . 1 . . . . 70 THR HA . 17663 1 64 . 1 1 29 29 THR HB H 1 4.130 0.01 . 1 . . . . 70 THR HB . 17663 1 65 . 1 1 29 29 THR C C 13 174.210 0.1 . 1 . . . . 70 THR C . 17663 1 66 . 1 1 29 29 THR CA C 13 61.620 0.1 . 1 . . . . 70 THR CA . 17663 1 67 . 1 1 29 29 THR CB C 13 69.870 0.1 . 1 . . . . 70 THR CB . 17663 1 68 . 1 1 29 29 THR N N 15 117.277 0.1 . 1 . . . . 70 THR N . 17663 1 69 . 1 1 30 30 TRP H H 1 8.004 0.01 . 1 . . . . 71 TRP H . 17663 1 70 . 1 1 30 30 TRP HA H 1 4.640 0.01 . 1 . . . . 71 TRP HA . 17663 1 71 . 1 1 30 30 TRP HB2 H 1 3.210 0.01 . 1 . . . . 71 TRP HB2 . 17663 1 72 . 1 1 30 30 TRP C C 13 176.100 0.1 . 1 . . . . 71 TRP C . 17663 1 73 . 1 1 30 30 TRP CA C 13 57.350 0.1 . 1 . . . . 71 TRP CA . 17663 1 74 . 1 1 30 30 TRP CB C 13 29.610 0.1 . 1 . . . . 71 TRP CB . 17663 1 75 . 1 1 30 30 TRP N N 15 122.898 0.1 . 1 . . . . 71 TRP N . 17663 1 76 . 1 1 31 31 GLU H H 1 8.235 0.01 . 1 . . . . 72 GLU H . 17663 1 77 . 1 1 31 31 GLU HA H 1 4.100 0.01 . 1 . . . . 72 GLU HA . 17663 1 78 . 1 1 31 31 GLU HB2 H 1 2.000 0.01 . 1 . . . . 72 GLU HB2 . 17663 1 79 . 1 1 31 31 GLU C C 13 176.200 0.1 . 1 . . . . 72 GLU C . 17663 1 80 . 1 1 31 31 GLU CA C 13 57.040 0.1 . 1 . . . . 72 GLU CA . 17663 1 81 . 1 1 31 31 GLU CB C 13 30.700 0.1 . 1 . . . . 72 GLU CB . 17663 1 82 . 1 1 31 31 GLU N N 15 121.842 0.1 . 1 . . . . 72 GLU N . 17663 1 83 . 1 1 32 32 HIS H H 1 8.201 0.01 . 1 . . . . 73 HIS H . 17663 1 84 . 1 1 32 32 HIS HA H 1 4.570 0.01 . 1 . . . . 73 HIS HA . 17663 1 85 . 1 1 32 32 HIS HB2 H 1 3.090 0.01 . 1 . . . . 73 HIS HB2 . 17663 1 86 . 1 1 32 32 HIS C C 13 176.400 0.1 . 1 . . . . 73 HIS C . 17663 1 87 . 1 1 32 32 HIS CA C 13 56.010 0.1 . 1 . . . . 73 HIS CA . 17663 1 88 . 1 1 32 32 HIS CB C 13 29.800 0.1 . 1 . . . . 73 HIS CB . 17663 1 89 . 1 1 32 32 HIS N N 15 119.145 0.1 . 1 . . . . 73 HIS N . 17663 1 90 . 1 1 33 33 GLN H H 1 8.401 0.01 . 1 . . . . 74 GLN H . 17663 1 91 . 1 1 33 33 GLN HA H 1 4.250 0.01 . 1 . . . . 74 GLN HA . 17663 1 92 . 1 1 33 33 GLN HB2 H 1 2.230 0.01 . 1 . . . . 74 GLN HB2 . 17663 1 93 . 1 1 33 33 GLN C C 13 176.030 0.1 . 1 . . . . 74 GLN C . 17663 1 94 . 1 1 33 33 GLN CA C 13 56.750 0.1 . 1 . . . . 74 GLN CA . 17663 1 95 . 1 1 33 33 GLN CB C 13 30.380 0.1 . 1 . . . . 74 GLN CB . 17663 1 96 . 1 1 33 33 GLN N N 15 121.955 0.1 . 1 . . . . 74 GLN N . 17663 1 97 . 1 1 34 34 SER H H 1 8.315 0.01 . 1 . . . . 75 SER H . 17663 1 98 . 1 1 34 34 SER HA H 1 4.700 0.01 . 1 . . . . 75 SER HA . 17663 1 99 . 1 1 34 34 SER HB2 H 1 3.810 0.01 . 1 . . . . 75 SER HB2 . 17663 1 100 . 1 1 34 34 SER C C 13 172.700 0.1 . 1 . . . . 75 SER C . 17663 1 101 . 1 1 34 34 SER CA C 13 56.380 0.1 . 1 . . . . 75 SER CA . 17663 1 102 . 1 1 34 34 SER CB C 13 63.440 0.1 . 1 . . . . 75 SER CB . 17663 1 103 . 1 1 34 34 SER N N 15 118.548 0.1 . 1 . . . . 75 SER N . 17663 1 104 . 1 1 35 35 PRO C C 13 177.170 0.1 . 1 . . . . 76 PRO C . 17663 1 105 . 1 1 35 35 PRO CA C 13 63.600 0.1 . 1 . . . . 76 PRO CA . 17663 1 106 . 1 1 35 35 PRO CB C 13 31.830 0.1 . 1 . . . . 76 PRO CB . 17663 1 107 . 1 1 36 36 LEU H H 1 8.105 0.01 . 1 . . . . 77 LEU H . 17663 1 108 . 1 1 36 36 LEU HA H 1 4.270 0.01 . 1 . . . . 77 LEU HA . 17663 1 109 . 1 1 36 36 LEU HB2 H 1 1.580 0.01 . 1 . . . . 77 LEU HB2 . 17663 1 110 . 1 1 36 36 LEU C C 13 177.590 0.1 . 1 . . . . 77 LEU C . 17663 1 111 . 1 1 36 36 LEU CA C 13 55.510 0.1 . 1 . . . . 77 LEU CA . 17663 1 112 . 1 1 36 36 LEU CB C 13 42.140 0.1 . 1 . . . . 77 LEU CB . 17663 1 113 . 1 1 36 36 LEU N N 15 120.396 0.1 . 1 . . . . 77 LEU N . 17663 1 114 . 1 1 37 37 SER H H 1 8.003 0.01 . 1 . . . . 78 SER H . 17663 1 115 . 1 1 37 37 SER HA H 1 4.370 0.01 . 1 . . . . 78 SER HA . 17663 1 116 . 1 1 37 37 SER HB2 H 1 3.850 0.01 . 1 . . . . 78 SER HB2 . 17663 1 117 . 1 1 37 37 SER C C 13 174.560 0.1 . 1 . . . . 78 SER C . 17663 1 118 . 1 1 37 37 SER CA C 13 58.580 0.1 . 1 . . . . 78 SER CA . 17663 1 119 . 1 1 37 37 SER CB C 13 63.770 0.1 . 1 . . . . 78 SER CB . 17663 1 120 . 1 1 37 37 SER N N 15 115.557 0.1 . 1 . . . . 78 SER N . 17663 1 121 . 1 1 38 38 ARG H H 1 8.137 0.01 . 1 . . . . 79 ARG H . 17663 1 122 . 1 1 38 38 ARG HA H 1 4.280 0.01 . 1 . . . . 79 ARG HA . 17663 1 123 . 1 1 38 38 ARG HB2 H 1 1.740 0.01 . 1 . . . . 79 ARG HB2 . 17663 1 124 . 1 1 38 38 ARG C C 13 175.920 0.1 . 1 . . . . 79 ARG C . 17663 1 125 . 1 1 38 38 ARG CA C 13 56.300 0.1 . 1 . . . . 79 ARG CA . 17663 1 126 . 1 1 38 38 ARG CB C 13 30.700 0.1 . 1 . . . . 79 ARG CB . 17663 1 127 . 1 1 38 38 ARG N N 15 122.601 0.1 . 1 . . . . 79 ARG N . 17663 1 128 . 1 1 39 39 VAL H H 1 7.890 0.01 . 1 . . . . 80 VAL H . 17663 1 129 . 1 1 39 39 VAL HA H 1 4.020 0.01 . 1 . . . . 80 VAL HA . 17663 1 130 . 1 1 39 39 VAL HB H 1 1.950 0.01 . 1 . . . . 80 VAL HB . 17663 1 131 . 1 1 39 39 VAL C C 13 175.650 0.1 . 1 . . . . 80 VAL C . 17663 1 132 . 1 1 39 39 VAL CA C 13 62.400 0.1 . 1 . . . . 80 VAL CA . 17663 1 133 . 1 1 39 39 VAL CB C 13 32.780 0.1 . 1 . . . . 80 VAL CB . 17663 1 134 . 1 1 39 39 VAL N N 15 120.225 0.1 . 1 . . . . 80 VAL N . 17663 1 135 . 1 1 40 40 TYR H H 1 8.219 0.01 . 1 . . . . 81 TYR H . 17663 1 136 . 1 1 40 40 TYR HA H 1 4.510 0.01 . 1 . . . . 81 TYR HA . 17663 1 137 . 1 1 40 40 TYR HB2 H 1 2.920 0.01 . 1 . . . . 81 TYR HB2 . 17663 1 138 . 1 1 40 40 TYR C C 13 175.270 0.1 . 1 . . . . 81 TYR C . 17663 1 139 . 1 1 40 40 TYR CA C 13 56.090 0.1 . 1 . . . . 81 TYR CA . 17663 1 140 . 1 1 40 40 TYR CB C 13 39.410 0.1 . 1 . . . . 81 TYR CB . 17663 1 141 . 1 1 40 40 TYR N N 15 124.479 0.1 . 1 . . . . 81 TYR N . 17663 1 142 . 1 1 41 41 ARG H H 1 8.015 0.01 . 1 . . . . 82 ARG H . 17663 1 143 . 1 1 41 41 ARG HA H 1 4.280 0.01 . 1 . . . . 82 ARG HA . 17663 1 144 . 1 1 41 41 ARG HB2 H 1 1.670 0.01 . 1 . . . . 82 ARG HB2 . 17663 1 145 . 1 1 41 41 ARG C C 13 175.300 0.1 . 1 . . . . 82 ARG C . 17663 1 146 . 1 1 41 41 ARG CA C 13 55.400 0.1 . 1 . . . . 82 ARG CA . 17663 1 147 . 1 1 41 41 ARG CB C 13 30.800 0.1 . 1 . . . . 82 ARG CB . 17663 1 148 . 1 1 41 41 ARG N N 15 123.825 0.1 . 1 . . . . 82 ARG N . 17663 1 149 . 1 1 42 42 SER H H 1 8.239 0.01 . 1 . . . . 83 SER H . 17663 1 150 . 1 1 42 42 SER HA H 1 4.610 0.01 . 1 . . . . 83 SER HA . 17663 1 151 . 1 1 42 42 SER HB2 H 1 3.810 0.01 . 1 . . . . 83 SER HB2 . 17663 1 152 . 1 1 42 42 SER CA C 13 56.510 0.1 . 1 . . . . 83 SER CA . 17663 1 153 . 1 1 42 42 SER CB C 13 63.490 0.1 . 1 . . . . 83 SER CB . 17663 1 154 . 1 1 42 42 SER N N 15 118.856 0.1 . 1 . . . . 83 SER N . 17663 1 155 . 1 1 43 43 PRO C C 13 176.680 0.1 . 1 . . . . 84 PRO C . 17663 1 156 . 1 1 43 43 PRO CA C 13 63.100 0.1 . 1 . . . . 84 PRO CA . 17663 1 157 . 1 1 43 43 PRO CB C 13 31.700 0.1 . 1 . . . . 84 PRO CB . 17663 1 158 . 1 1 44 44 SER H H 1 8.309 0.01 . 1 . . . . 85 SER H . 17663 1 159 . 1 1 44 44 SER HA H 1 4.690 0.01 . 1 . . . . 85 SER HA . 17663 1 160 . 1 1 44 44 SER HB2 H 1 3.800 0.01 . 1 . . . . 85 SER HB2 . 17663 1 161 . 1 1 44 44 SER C C 13 173.000 0.1 . 1 . . . . 85 SER C . 17663 1 162 . 1 1 44 44 SER CA C 13 56.500 0.1 . 1 . . . . 85 SER CA . 17663 1 163 . 1 1 44 44 SER CB C 13 62.770 0.1 . 1 . . . . 85 SER CB . 17663 1 164 . 1 1 44 44 SER N N 15 117.352 0.1 . 1 . . . . 85 SER N . 17663 1 165 . 1 1 45 45 PRO C C 13 176.900 0.1 . 1 . . . . 86 PRO C . 17663 1 166 . 1 1 45 45 PRO CA C 13 63.500 0.1 . 1 . . . . 86 PRO CA . 17663 1 167 . 1 1 45 45 PRO CB C 13 31.900 0.1 . 1 . . . . 86 PRO CB . 17663 1 168 . 1 1 46 46 MET H H 1 8.266 0.01 . 1 . . . . 87 MET H . 17663 1 169 . 1 1 46 46 MET HA H 1 4.340 0.01 . 1 . . . . 87 MET HA . 17663 1 170 . 1 1 46 46 MET HB2 H 1 2.470 0.01 . 1 . . . . 87 MET HB . 17663 1 171 . 1 1 46 46 MET HB3 H 1 2.470 0.01 . 1 . . . . 87 MET HB . 17663 1 172 . 1 1 46 46 MET C C 13 176.140 0.1 . 1 . . . . 87 MET C . 17663 1 173 . 1 1 46 46 MET CA C 13 55.780 0.1 . 1 . . . . 87 MET CA . 17663 1 174 . 1 1 46 46 MET CB C 13 32.500 0.1 . 1 . . . . 87 MET CB . 17663 1 175 . 1 1 46 46 MET N N 15 120.071 0.1 . 1 . . . . 87 MET N . 17663 1 176 . 1 1 47 47 ARG H H 1 8.127 0.01 . 1 . . . . 88 ARG H . 17663 1 177 . 1 1 47 47 ARG HA H 1 4.230 0.01 . 1 . . . . 88 ARG HA . 17663 1 178 . 1 1 47 47 ARG HB2 H 1 1.630 0.01 . 1 . . . . 88 ARG HB2 . 17663 1 179 . 1 1 47 47 ARG C C 13 175.830 0.1 . 1 . . . . 88 ARG C . 17663 1 180 . 1 1 47 47 ARG CA C 13 56.100 0.1 . 1 . . . . 88 ARG CA . 17663 1 181 . 1 1 47 47 ARG CB C 13 30.700 0.1 . 1 . . . . 88 ARG CB . 17663 1 182 . 1 1 47 47 ARG N N 15 121.938 0.1 . 1 . . . . 88 ARG N . 17663 1 183 . 1 1 48 48 PHE H H 1 8.195 0.01 . 1 . . . . 89 PHE H . 17663 1 184 . 1 1 48 48 PHE HA H 1 4.610 0.01 . 1 . . . . 89 PHE HA . 17663 1 185 . 1 1 48 48 PHE HB2 H 1 3.180 0.01 . 1 . . . . 89 PHE HB2 . 17663 1 186 . 1 1 48 48 PHE C C 13 176.190 0.1 . 1 . . . . 89 PHE C . 17663 1 187 . 1 1 48 48 PHE CA C 13 57.780 0.1 . 1 . . . . 89 PHE CA . 17663 1 188 . 1 1 48 48 PHE CB C 13 39.390 0.1 . 1 . . . . 89 PHE CB . 17663 1 189 . 1 1 48 48 PHE N N 15 120.675 0.1 . 1 . . . . 89 PHE N . 17663 1 190 . 1 1 49 49 GLY H H 1 8.255 0.01 . 1 . . . . 90 GLY H . 17663 1 191 . 1 1 49 49 GLY HA2 H 1 3.880 0.01 . 1 . . . . 90 GLY HA2 . 17663 1 192 . 1 1 49 49 GLY C C 13 173.750 0.1 . 1 . . . . 90 GLY C . 17663 1 193 . 1 1 49 49 GLY CA C 13 45.190 0.1 . 1 . . . . 90 GLY CA . 17663 1 194 . 1 1 49 49 GLY N N 15 109.906 0.1 . 1 . . . . 90 GLY N . 17663 1 195 . 1 1 50 50 LYS H H 1 8.106 0.01 . 1 . . . . 91 LYS H . 17663 1 196 . 1 1 50 50 LYS HA H 1 4.300 0.01 . 1 . . . . 91 LYS HA . 17663 1 197 . 1 1 50 50 LYS HB2 H 1 1.700 0.01 . 1 . . . . 91 LYS HB2 . 17663 1 198 . 1 1 50 50 LYS C C 13 176.360 0.1 . 1 . . . . 91 LYS C . 17663 1 199 . 1 1 50 50 LYS CA C 13 56.180 0.1 . 1 . . . . 91 LYS CA . 17663 1 200 . 1 1 50 50 LYS CB C 13 33.080 0.1 . 1 . . . . 91 LYS CB . 17663 1 201 . 1 1 50 50 LYS N N 15 120.740 0.1 . 1 . . . . 91 LYS N . 17663 1 202 . 1 1 51 51 ARG H H 1 8.327 0.01 . 1 . . . . 92 ARG H . 17663 1 203 . 1 1 51 51 ARG HA H 1 4.550 0.01 . 1 . . . . 92 ARG HA . 17663 1 204 . 1 1 51 51 ARG HB2 H 1 1.690 0.01 . 1 . . . . 92 ARG HB2 . 17663 1 205 . 1 1 51 51 ARG C C 13 174.200 0.1 . 1 . . . . 92 ARG C . 17663 1 206 . 1 1 51 51 ARG CA C 13 54.000 0.1 . 1 . . . . 92 ARG CA . 17663 1 207 . 1 1 51 51 ARG CB C 13 30.000 0.1 . 1 . . . . 92 ARG CB . 17663 1 208 . 1 1 51 51 ARG N N 15 123.498 0.1 . 1 . . . . 92 ARG N . 17663 1 209 . 1 1 52 52 PRO C C 13 177.140 0.1 . 1 . . . . 93 PRO C . 17663 1 210 . 1 1 52 52 PRO CA C 13 63.150 0.1 . 1 . . . . 93 PRO CA . 17663 1 211 . 1 1 52 52 PRO CB C 13 31.000 0.1 . 1 . . . . 93 PRO CB . 17663 1 212 . 1 1 53 53 ARG H H 1 8.395 0.01 . 1 . . . . 94 ARG H . 17663 1 213 . 1 1 53 53 ARG HA H 1 4.260 0.01 . 1 . . . . 94 ARG HA . 17663 1 214 . 1 1 53 53 ARG HB2 H 1 1.740 0.01 . 1 . . . . 94 ARG HB2 . 17663 1 215 . 1 1 53 53 ARG C C 13 176.300 0.1 . 1 . . . . 94 ARG C . 17663 1 216 . 1 1 53 53 ARG CA C 13 56.220 0.1 . 1 . . . . 94 ARG CA . 17663 1 217 . 1 1 53 53 ARG CB C 13 30.900 0.1 . 1 . . . . 94 ARG CB . 17663 1 218 . 1 1 53 53 ARG N N 15 121.776 0.1 . 1 . . . . 94 ARG N . 17663 1 219 . 1 1 54 54 ILE H H 1 8.165 0.01 . 1 . . . . 95 ILE H . 17663 1 220 . 1 1 54 54 ILE HA H 1 4.220 0.01 . 1 . . . . 95 ILE HA . 17663 1 221 . 1 1 54 54 ILE HB H 1 1.840 0.01 . 1 . . . . 95 ILE HB . 17663 1 222 . 1 1 54 54 ILE C C 13 176.130 0.1 . 1 . . . . 95 ILE C . 17663 1 223 . 1 1 54 54 ILE CA C 13 61.260 0.1 . 1 . . . . 95 ILE CA . 17663 1 224 . 1 1 54 54 ILE CB C 13 38.880 0.1 . 1 . . . . 95 ILE CB . 17663 1 225 . 1 1 54 54 ILE N N 15 122.408 0.1 . 1 . . . . 95 ILE N . 17663 1 226 . 1 1 55 55 SER H H 1 8.395 0.01 . 1 . . . . 96 SER H . 17663 1 227 . 1 1 55 55 SER HA H 1 4.480 0.01 . 1 . . . . 96 SER HA . 17663 1 228 . 1 1 55 55 SER HB2 H 1 3.830 0.01 . 1 . . . . 96 SER HB2 . 17663 1 229 . 1 1 55 55 SER CA C 13 58.100 0.1 . 1 . . . . 96 SER CA . 17663 1 230 . 1 1 55 55 SER N N 15 120.189 0.1 . 1 . . . . 96 SER N . 17663 1 231 . 1 1 56 56 SER H H 1 8.373 0.01 . 1 . . . . 97 SER H . 17663 1 232 . 1 1 56 56 SER HB2 H 1 3.820 0.01 . 1 . . . . 97 SER HB2 . 17663 1 233 . 1 1 56 56 SER CA C 13 58.300 0.1 . 1 . . . . 97 SER CA . 17663 1 234 . 1 1 56 56 SER N N 15 118.475 0.1 . 1 . . . . 97 SER N . 17663 1 235 . 1 1 57 57 ASN H H 1 8.452 0.01 . 1 . . . . 98 ASN H . 17663 1 236 . 1 1 57 57 ASN HB2 H 1 2.770 0.01 . 1 . . . . 98 ASN HB2 . 17663 1 237 . 1 1 57 57 ASN N N 15 121.155 0.1 . 1 . . . . 98 ASN N . 17663 1 238 . 1 1 58 58 SER H H 1 8.263 0.01 . 1 . . . . 99 SER H . 17663 1 239 . 1 1 58 58 SER HA H 1 4.440 0.01 . 1 . . . . 99 SER HA . 17663 1 240 . 1 1 58 58 SER HB2 H 1 3.840 0.01 . 1 . . . . 99 SER HB2 . 17663 1 241 . 1 1 58 58 SER C C 13 176.700 0.1 . 1 . . . . 99 SER C . 17663 1 242 . 1 1 58 58 SER N N 15 116.131 0.1 . 1 . . . . 99 SER N . 17663 1 243 . 1 1 59 59 THR H H 1 8.210 0.01 . 1 . . . . 100 THR H . 17663 1 244 . 1 1 59 59 THR HA H 1 4.360 0.01 . 1 . . . . 100 THR HA . 17663 1 245 . 1 1 59 59 THR HG21 H 1 1.180 0.01 . 1 . . . . 100 THR HG2 . 17663 1 246 . 1 1 59 59 THR HG22 H 1 1.180 0.01 . 1 . . . . 100 THR HG2 . 17663 1 247 . 1 1 59 59 THR HG23 H 1 1.180 0.01 . 1 . . . . 100 THR HG2 . 17663 1 248 . 1 1 59 59 THR C C 13 174.750 0.1 . 1 . . . . 100 THR C . 17663 1 249 . 1 1 59 59 THR CA C 13 62.000 0.1 . 1 . . . . 100 THR CA . 17663 1 250 . 1 1 59 59 THR CB C 13 69.860 0.1 . 1 . . . . 100 THR CB . 17663 1 251 . 1 1 59 59 THR N N 15 115.500 0.1 . 1 . . . . 100 THR N . 17663 1 252 . 1 1 60 60 SER H H 1 8.229 0.01 . 1 . . . . 101 SER H . 17663 1 253 . 1 1 60 60 SER HA H 1 4.430 0.01 . 1 . . . . 101 SER HA . 17663 1 254 . 1 1 60 60 SER HB2 H 1 3.850 0.01 . 1 . . . . 101 SER HB2 . 17663 1 255 . 1 1 60 60 SER C C 13 174.300 0.1 . 1 . . . . 101 SER C . 17663 1 256 . 1 1 60 60 SER CA C 13 58.400 0.1 . 1 . . . . 101 SER CA . 17663 1 257 . 1 1 60 60 SER CB C 13 63.800 0.1 . 1 . . . . 101 SER CB . 17663 1 258 . 1 1 60 60 SER N N 15 117.988 0.1 . 1 . . . . 101 SER N . 17663 1 259 . 1 1 61 61 ARG H H 1 8.324 0.01 . 1 . . . . 102 ARG H . 17663 1 260 . 1 1 61 61 ARG HA H 1 4.320 0.01 . 1 . . . . 102 ARG HA . 17663 1 261 . 1 1 61 61 ARG HB2 H 1 1.780 0.01 . 1 . . . . 102 ARG HB2 . 17663 1 262 . 1 1 61 61 ARG C C 13 176.200 0.1 . 1 . . . . 102 ARG C . 17663 1 263 . 1 1 61 61 ARG CA C 13 56.500 0.1 . 1 . . . . 102 ARG CA . 17663 1 264 . 1 1 61 61 ARG CB C 13 30.900 0.1 . 1 . . . . 102 ARG CB . 17663 1 265 . 1 1 61 61 ARG N N 15 122.946 0.1 . 1 . . . . 102 ARG N . 17663 1 266 . 1 1 62 62 SER H H 1 8.371 0.01 . 1 . . . . 103 SER H . 17663 1 267 . 1 1 62 62 SER HA H 1 4.430 0.01 . 1 . . . . 103 SER HA . 17663 1 268 . 1 1 62 62 SER HB2 H 1 3.820 0.01 . 1 . . . . 103 SER HB2 . 17663 1 269 . 1 1 62 62 SER C C 13 173.250 0.1 . 1 . . . . 103 SER C . 17663 1 270 . 1 1 62 62 SER CA C 13 56.430 0.1 . 1 . . . . 103 SER CA . 17663 1 271 . 1 1 62 62 SER CB C 13 63.600 0.1 . 1 . . . . 103 SER CB . 17663 1 272 . 1 1 62 62 SER N N 15 118.309 0.1 . 1 . . . . 103 SER N . 17663 1 273 . 1 1 63 63 CYS H H 1 8.305 0.01 . 1 . . . . 104 CYS H . 17663 1 274 . 1 1 63 63 CYS HA H 1 4.500 0.01 . 1 . . . . 104 CYS HA . 17663 1 275 . 1 1 63 63 CYS HB2 H 1 2.920 0.01 . 1 . . . . 104 CYS HB2 . 17663 1 276 . 1 1 63 63 CYS C C 13 174.300 0.1 . 1 . . . . 104 CYS C . 17663 1 277 . 1 1 63 63 CYS CA C 13 58.220 0.1 . 1 . . . . 104 CYS CA . 17663 1 278 . 1 1 63 63 CYS CB C 13 27.600 0.1 . 1 . . . . 104 CYS CB . 17663 1 279 . 1 1 63 63 CYS N N 15 121.242 0.1 . 1 . . . . 104 CYS N . 17663 1 280 . 1 1 64 64 LYS H H 1 8.385 0.01 . 1 . . . . 105 LYS H . 17663 1 281 . 1 1 64 64 LYS HA H 1 4.330 0.01 . 1 . . . . 105 LYS HA . 17663 1 282 . 1 1 64 64 LYS HB2 H 1 1.740 0.01 . 1 . . . . 105 LYS HB2 . 17663 1 283 . 1 1 64 64 LYS C C 13 176.700 0.1 . 1 . . . . 105 LYS C . 17663 1 284 . 1 1 64 64 LYS CA C 13 56.600 0.1 . 1 . . . . 105 LYS CA . 17663 1 285 . 1 1 64 64 LYS N N 15 123.788 0.1 . 1 . . . . 105 LYS N . 17663 1 286 . 1 1 65 65 THR H H 1 8.063 0.01 . 1 . . . . 106 THR H . 17663 1 287 . 1 1 65 65 THR HA H 1 4.300 0.01 . 1 . . . . 106 THR HA . 17663 1 288 . 1 1 65 65 THR HB H 1 4.080 0.01 . 1 . . . . 106 THR HB . 17663 1 289 . 1 1 65 65 THR C C 13 174.400 0.1 . 1 . . . . 106 THR C . 17663 1 290 . 1 1 65 65 THR CA C 13 62.000 0.1 . 1 . . . . 106 THR CA . 17663 1 291 . 1 1 65 65 THR CB C 13 69.000 0.1 . 1 . . . . 106 THR CB . 17663 1 292 . 1 1 65 65 THR N N 15 115.019 0.1 . 1 . . . . 106 THR N . 17663 1 293 . 1 1 66 66 SER H H 1 8.414 0.01 . 1 . . . . 107 SER H . 17663 1 294 . 1 1 66 66 SER HA H 1 4.450 0.01 . 1 . . . . 107 SER HA . 17663 1 295 . 1 1 66 66 SER HB2 H 1 3.860 0.01 . 1 . . . . 107 SER HB2 . 17663 1 296 . 1 1 66 66 SER C C 13 174.800 0.1 . 1 . . . . 107 SER C . 17663 1 297 . 1 1 66 66 SER CA C 13 58.450 0.1 . 1 . . . . 107 SER CA . 17663 1 298 . 1 1 66 66 SER CB C 13 63.800 0.1 . 1 . . . . 107 SER CB . 17663 1 299 . 1 1 66 66 SER N N 15 118.711 0.1 . 1 . . . . 107 SER N . 17663 1 300 . 1 1 67 67 TRP H H 1 8.332 0.01 . 1 . . . . 108 TRP H . 17663 1 301 . 1 1 67 67 TRP HA H 1 4.540 0.01 . 1 . . . . 108 TRP HA . 17663 1 302 . 1 1 67 67 TRP HB2 H 1 3.270 0.01 . 1 . . . . 108 TRP HB2 . 17663 1 303 . 1 1 67 67 TRP C C 13 176.400 0.1 . 1 . . . . 108 TRP C . 17663 1 304 . 1 1 67 67 TRP CA C 13 58.740 0.1 . 1 . . . . 108 TRP CA . 17663 1 305 . 1 1 67 67 TRP CB C 13 30.190 0.1 . 1 . . . . 108 TRP CB . 17663 1 306 . 1 1 67 67 TRP N N 15 123.645 0.1 . 1 . . . . 108 TRP N . 17663 1 307 . 1 1 68 68 ALA H H 1 8.022 0.01 . 1 . . . . 109 ALA H . 17663 1 308 . 1 1 68 68 ALA HA H 1 4.010 0.01 . 1 . . . . 109 ALA HA . 17663 1 309 . 1 1 68 68 ALA HB1 H 1 1.250 0.01 . 1 . . . . 109 ALA HB . 17663 1 310 . 1 1 68 68 ALA HB2 H 1 1.250 0.01 . 1 . . . . 109 ALA HB . 17663 1 311 . 1 1 68 68 ALA HB3 H 1 1.250 0.01 . 1 . . . . 109 ALA HB . 17663 1 312 . 1 1 68 68 ALA C C 13 178.400 0.1 . 1 . . . . 109 ALA C . 17663 1 313 . 1 1 68 68 ALA CA C 13 53.710 0.1 . 1 . . . . 109 ALA CA . 17663 1 314 . 1 1 68 68 ALA CB C 13 18.700 0.1 . 1 . . . . 109 ALA CB . 17663 1 315 . 1 1 68 68 ALA N N 15 122.841 0.1 . 1 . . . . 109 ALA N . 17663 1 316 . 1 1 69 69 ASP H H 1 7.912 0.01 . 1 . . . . 110 ASP H . 17663 1 317 . 1 1 69 69 ASP HA H 1 4.450 0.01 . 1 . . . . 110 ASP HA . 17663 1 318 . 1 1 69 69 ASP HB2 H 1 2.650 0.01 . 1 . . . . 110 ASP HB2 . 17663 1 319 . 1 1 69 69 ASP C C 13 176.900 0.1 . 1 . . . . 110 ASP C . 17663 1 320 . 1 1 69 69 ASP CA C 13 55.400 0.1 . 1 . . . . 110 ASP CA . 17663 1 321 . 1 1 69 69 ASP CB C 13 41.100 0.1 . 1 . . . . 110 ASP CB . 17663 1 322 . 1 1 69 69 ASP N N 15 118.235 0.1 . 1 . . . . 110 ASP N . 17663 1 323 . 1 1 70 70 ARG H H 1 7.929 0.01 . 1 . . . . 111 ARG H . 17663 1 324 . 1 1 70 70 ARG HA H 1 4.150 0.01 . 1 . . . . 111 ARG HA . 17663 1 325 . 1 1 70 70 ARG HB2 H 1 1.770 0.01 . 1 . . . . 111 ARG HB2 . 17663 1 326 . 1 1 70 70 ARG C C 13 177.500 0.1 . 1 . . . . 111 ARG C . 17663 1 327 . 1 1 70 70 ARG CA C 13 57.460 0.1 . 1 . . . . 111 ARG CA . 17663 1 328 . 1 1 70 70 ARG CB C 13 30.410 0.1 . 1 . . . . 111 ARG CB . 17663 1 329 . 1 1 70 70 ARG N N 15 120.570 0.1 . 1 . . . . 111 ARG N . 17663 1 330 . 1 1 71 71 VAL H H 1 7.959 0.01 . 1 . . . . 112 VAL H . 17663 1 331 . 1 1 71 71 VAL HA H 1 3.850 0.01 . 1 . . . . 112 VAL HA . 17663 1 332 . 1 1 71 71 VAL HB H 1 1.980 0.01 . 1 . . . . 112 VAL HB . 17663 1 333 . 1 1 71 71 VAL C C 13 177.200 0.1 . 1 . . . . 112 VAL C . 17663 1 334 . 1 1 71 71 VAL CA C 13 64.020 0.1 . 1 . . . . 112 VAL CA . 17663 1 335 . 1 1 71 71 VAL CB C 13 32.400 0.1 . 1 . . . . 112 VAL CB . 17663 1 336 . 1 1 71 71 VAL N N 15 120.269 0.1 . 1 . . . . 112 VAL N . 17663 1 337 . 1 1 72 72 ARG H H 1 8.007 0.01 . 1 . . . . 113 ARG H . 17663 1 338 . 1 1 72 72 ARG HA H 1 4.170 0.01 . 1 . . . . 113 ARG HA . 17663 1 339 . 1 1 72 72 ARG HB2 H 1 1.800 0.01 . 1 . . . . 113 ARG HB2 . 17663 1 340 . 1 1 72 72 ARG C C 13 177.360 0.1 . 1 . . . . 113 ARG C . 17663 1 341 . 1 1 72 72 ARG CA C 13 57.450 0.1 . 1 . . . . 113 ARG CA . 17663 1 342 . 1 1 72 72 ARG CB C 13 29.900 0.1 . 1 . . . . 113 ARG CB . 17663 1 343 . 1 1 72 72 ARG N N 15 123.036 0.1 . 1 . . . . 113 ARG N . 17663 1 344 . 1 1 73 73 GLU H H 1 8.227 0.01 . 1 . . . . 114 GLU H . 17663 1 345 . 1 1 73 73 GLU HA H 1 4.130 0.01 . 1 . . . . 114 GLU HA . 17663 1 346 . 1 1 73 73 GLU HB2 H 1 2.240 0.01 . 1 . . . . 114 GLU HB2 . 17663 1 347 . 1 1 73 73 GLU C C 13 177.140 0.1 . 1 . . . . 114 GLU C . 17663 1 348 . 1 1 73 73 GLU CA C 13 57.700 0.1 . 1 . . . . 114 GLU CA . 17663 1 349 . 1 1 73 73 GLU CB C 13 29.800 0.1 . 1 . . . . 114 GLU CB . 17663 1 350 . 1 1 73 73 GLU N N 15 121.058 0.1 . 1 . . . . 114 GLU N . 17663 1 351 . 1 1 74 74 ALA H H 1 8.096 0.01 . 1 . . . . 115 ALA H . 17663 1 352 . 1 1 74 74 ALA HA H 1 4.200 0.01 . 1 . . . . 115 ALA HA . 17663 1 353 . 1 1 74 74 ALA HB1 H 1 1.380 0.01 . 1 . . . . 115 ALA HB . 17663 1 354 . 1 1 74 74 ALA HB2 H 1 1.380 0.01 . 1 . . . . 115 ALA HB . 17663 1 355 . 1 1 74 74 ALA HB3 H 1 1.380 0.01 . 1 . . . . 115 ALA HB . 17663 1 356 . 1 1 74 74 ALA C C 13 178.470 0.1 . 1 . . . . 115 ALA C . 17663 1 357 . 1 1 74 74 ALA CA C 13 53.400 0.1 . 1 . . . . 115 ALA CA . 17663 1 358 . 1 1 74 74 ALA CB C 13 19.000 0.1 . 1 . . . . 115 ALA CB . 17663 1 359 . 1 1 74 74 ALA N N 15 123.707 0.1 . 1 . . . . 115 ALA N . 17663 1 360 . 1 1 75 75 ALA H H 1 8.000 0.01 . 1 . . . . 116 ALA H . 17663 1 361 . 1 1 75 75 ALA HA H 1 4.200 0.01 . 1 . . . . 116 ALA HA . 17663 1 362 . 1 1 75 75 ALA HB1 H 1 1.390 0.01 . 1 . . . . 116 ALA HB . 17663 1 363 . 1 1 75 75 ALA HB2 H 1 1.390 0.01 . 1 . . . . 116 ALA HB . 17663 1 364 . 1 1 75 75 ALA HB3 H 1 1.390 0.01 . 1 . . . . 116 ALA HB . 17663 1 365 . 1 1 75 75 ALA C C 13 178.200 0.1 . 1 . . . . 116 ALA C . 17663 1 366 . 1 1 75 75 ALA CA C 13 53.200 0.1 . 1 . . . . 116 ALA CA . 17663 1 367 . 1 1 75 75 ALA CB C 13 18.800 0.1 . 1 . . . . 116 ALA CB . 17663 1 368 . 1 1 75 75 ALA N N 15 121.797 0.1 . 1 . . . . 116 ALA N . 17663 1 369 . 1 1 76 76 ALA H H 1 7.931 0.01 . 1 . . . . 117 ALA H . 17663 1 370 . 1 1 76 76 ALA HA H 1 4.220 0.01 . 1 . . . . 117 ALA HA . 17663 1 371 . 1 1 76 76 ALA HB1 H 1 1.390 0.01 . 1 . . . . 117 ALA HB . 17663 1 372 . 1 1 76 76 ALA HB2 H 1 1.390 0.01 . 1 . . . . 117 ALA HB . 17663 1 373 . 1 1 76 76 ALA HB3 H 1 1.390 0.01 . 1 . . . . 117 ALA HB . 17663 1 374 . 1 1 76 76 ALA C C 13 178.040 0.1 . 1 . . . . 117 ALA C . 17663 1 375 . 1 1 76 76 ALA CA C 13 52.920 0.1 . 1 . . . . 117 ALA CA . 17663 1 376 . 1 1 76 76 ALA CB C 13 18.950 0.1 . 1 . . . . 117 ALA CB . 17663 1 377 . 1 1 76 76 ALA N N 15 121.680 0.1 . 1 . . . . 117 ALA N . 17663 1 378 . 1 1 77 77 GLN H H 1 7.983 0.01 . 1 . . . . 118 GLN H . 17663 1 379 . 1 1 77 77 GLN HA H 1 4.250 0.01 . 1 . . . . 118 GLN HA . 17663 1 380 . 1 1 77 77 GLN HB2 H 1 1.990 0.01 . 1 . . . . 118 GLN HB2 . 17663 1 381 . 1 1 77 77 GLN C C 13 176.000 0.1 . 1 . . . . 118 GLN C . 17663 1 382 . 1 1 77 77 GLN CA C 13 55.990 0.1 . 1 . . . . 118 GLN CA . 17663 1 383 . 1 1 77 77 GLN CB C 13 29.200 0.1 . 1 . . . . 118 GLN CB . 17663 1 384 . 1 1 77 77 GLN N N 15 118.001 0.1 . 1 . . . . 118 GLN N . 17663 1 385 . 1 1 78 78 ARG H H 1 8.089 0.01 . 1 . . . . 119 ARG H . 17663 1 386 . 1 1 78 78 ARG HA H 1 4.290 0.01 . 1 . . . . 119 ARG HA . 17663 1 387 . 1 1 78 78 ARG HB2 H 1 1.760 0.01 . 1 . . . . 119 ARG HB2 . 17663 1 388 . 1 1 78 78 ARG C C 13 176.000 0.1 . 1 . . . . 119 ARG C . 17663 1 389 . 1 1 78 78 ARG CA C 13 56.200 0.1 . 1 . . . . 119 ARG CA . 17663 1 390 . 1 1 78 78 ARG CB C 13 30.800 0.1 . 1 . . . . 119 ARG CB . 17663 1 391 . 1 1 78 78 ARG N N 15 121.473 0.1 . 1 . . . . 119 ARG N . 17663 1 392 . 1 1 79 79 ARG H H 1 8.271 0.01 . 1 . . . . 120 ARG H . 17663 1 393 . 1 1 79 79 ARG HA H 1 4.590 0.01 . 1 . . . . 120 ARG HA . 17663 1 394 . 1 1 79 79 ARG HB2 H 1 1.690 0.01 . 1 . . . . 120 ARG HB2 . 17663 1 395 . 1 1 79 79 ARG C C 13 174.130 0.1 . 1 . . . . 120 ARG C . 17663 1 396 . 1 1 79 79 ARG CA C 13 54.000 0.1 . 1 . . . . 120 ARG CA . 17663 1 397 . 1 1 79 79 ARG CB C 13 30.230 0.1 . 1 . . . . 120 ARG CB . 17663 1 398 . 1 1 79 79 ARG N N 15 123.317 0.1 . 1 . . . . 120 ARG N . 17663 1 399 . 1 1 80 80 PRO C C 13 176.840 0.1 . 1 . . . . 121 PRO C . 17663 1 400 . 1 1 80 80 PRO CA C 13 63.100 0.1 . 1 . . . . 121 PRO CA . 17663 1 401 . 1 1 80 80 PRO CB C 13 31.700 0.1 . 1 . . . . 121 PRO CB . 17663 1 402 . 1 1 81 81 SER H H 1 8.403 0.01 . 1 . . . . 122 SER H . 17663 1 403 . 1 1 81 81 SER HA H 1 4.370 0.01 . 1 . . . . 122 SER HA . 17663 1 404 . 1 1 81 81 SER HB2 H 1 3.820 0.01 . 1 . . . . 122 SER HB2 . 17663 1 405 . 1 1 81 81 SER C C 13 174.200 0.1 . 1 . . . . 122 SER C . 17663 1 406 . 1 1 81 81 SER CA C 13 58.340 0.1 . 1 . . . . 122 SER CA . 17663 1 407 . 1 1 81 81 SER CB C 13 64.000 0.1 . 1 . . . . 122 SER CB . 17663 1 408 . 1 1 81 81 SER N N 15 116.602 0.1 . 1 . . . . 122 SER N . 17663 1 409 . 1 1 82 82 ARG H H 1 8.240 0.01 . 1 . . . . 123 ARG H . 17663 1 410 . 1 1 82 82 ARG HA H 1 4.600 0.01 . 1 . . . . 123 ARG HA . 17663 1 411 . 1 1 82 82 ARG HB2 H 1 1.650 0.01 . 1 . . . . 123 ARG HB2 . 17663 1 412 . 1 1 82 82 ARG C C 13 174.070 0.1 . 1 . . . . 123 ARG C . 17663 1 413 . 1 1 82 82 ARG CA C 13 53.960 0.1 . 1 . . . . 123 ARG CA . 17663 1 414 . 1 1 82 82 ARG CB C 13 29.800 0.1 . 1 . . . . 123 ARG CB . 17663 1 415 . 1 1 82 82 ARG N N 15 123.301 0.1 . 1 . . . . 123 ARG N . 17663 1 416 . 1 1 83 83 PRO C C 13 176.440 0.1 . 1 . . . . 124 PRO C . 17663 1 417 . 1 1 83 83 PRO CA C 13 63.160 0.1 . 1 . . . . 124 PRO CA . 17663 1 418 . 1 1 83 83 PRO CB C 13 31.920 0.1 . 1 . . . . 124 PRO CB . 17663 1 419 . 1 1 84 84 PHE H H 1 8.249 0.01 . 1 . . . . 125 PHE H . 17663 1 420 . 1 1 84 84 PHE HA H 1 4.550 0.01 . 1 . . . . 125 PHE HA . 17663 1 421 . 1 1 84 84 PHE HB2 H 1 3.030 0.01 . 1 . . . . 125 PHE HB . 17663 1 422 . 1 1 84 84 PHE HB3 H 1 3.030 0.01 . 1 . . . . 125 PHE HB . 17663 1 423 . 1 1 84 84 PHE C C 13 175.350 0.1 . 1 . . . . 125 PHE C . 17663 1 424 . 1 1 84 84 PHE CA C 13 57.850 0.1 . 1 . . . . 125 PHE CA . 17663 1 425 . 1 1 84 84 PHE CB C 13 39.620 0.1 . 1 . . . . 125 PHE CB . 17663 1 426 . 1 1 84 84 PHE N N 15 120.831 0.1 . 1 . . . . 125 PHE N . 17663 1 427 . 1 1 85 85 ARG H H 1 8.034 0.01 . 1 . . . . 126 ARG H . 17663 1 428 . 1 1 85 85 ARG HA H 1 4.250 0.01 . 1 . . . . 126 ARG HA . 17663 1 429 . 1 1 85 85 ARG HB2 H 1 1.650 0.01 . 1 . . . . 126 ARG HB2 . 17663 1 430 . 1 1 85 85 ARG C C 13 175.200 0.1 . 1 . . . . 126 ARG C . 17663 1 431 . 1 1 85 85 ARG CA C 13 55.460 0.1 . 1 . . . . 126 ARG CA . 17663 1 432 . 1 1 85 85 ARG CB C 13 31.130 0.1 . 1 . . . . 126 ARG CB . 17663 1 433 . 1 1 85 85 ARG N N 15 123.657 0.1 . 1 . . . . 126 ARG N . 17663 1 434 . 1 1 86 86 LYS H H 1 8.244 0.01 . 1 . . . . 127 LYS H . 17663 1 435 . 1 1 86 86 LYS HA H 1 4.400 0.01 . 1 . . . . 127 LYS HA . 17663 1 436 . 1 1 86 86 LYS HB2 H 1 1.670 0.01 . 1 . . . . 127 LYS HB2 . 17663 1 437 . 1 1 86 86 LYS C C 13 174.580 0.1 . 1 . . . . 127 LYS C . 17663 1 438 . 1 1 86 86 LYS CA C 13 54.510 0.1 . 1 . . . . 127 LYS CA . 17663 1 439 . 1 1 86 86 LYS CB C 13 32.420 0.1 . 1 . . . . 127 LYS CB . 17663 1 440 . 1 1 86 86 LYS N N 15 124.400 0.1 . 1 . . . . 127 LYS N . 17663 1 441 . 1 1 87 87 PRO C C 13 176.620 0.1 . 1 . . . . 128 PRO C . 17663 1 442 . 1 1 87 87 PRO CA C 13 63.250 0.1 . 1 . . . . 128 PRO CA . 17663 1 443 . 1 1 87 87 PRO CB C 13 31.890 0.1 . 1 . . . . 128 PRO CB . 17663 1 444 . 1 1 88 88 TYR H H 1 8.141 0.01 . 1 . . . . 129 TYR H . 17663 1 445 . 1 1 88 88 TYR HA H 1 4.500 0.01 . 1 . . . . 129 TYR HA . 17663 1 446 . 1 1 88 88 TYR HB2 H 1 2.940 0.01 . 1 . . . . 129 TYR HB2 . 17663 1 447 . 1 1 88 88 TYR C C 13 175.620 0.1 . 1 . . . . 129 TYR C . 17663 1 448 . 1 1 88 88 TYR CA C 13 57.960 0.1 . 1 . . . . 129 TYR CA . 17663 1 449 . 1 1 88 88 TYR CB C 13 38.770 0.1 . 1 . . . . 129 TYR CB . 17663 1 450 . 1 1 88 88 TYR N N 15 120.461 0.1 . 1 . . . . 129 TYR N . 17663 1 451 . 1 1 89 89 SER H H 1 7.969 0.01 . 1 . . . . 130 SER H . 17663 1 452 . 1 1 89 89 SER HA H 1 4.350 0.01 . 1 . . . . 130 SER HA . 17663 1 453 . 1 1 89 89 SER HB2 H 1 3.690 0.01 . 1 . . . . 130 SER HB2 . 17663 1 454 . 1 1 89 89 SER C C 13 176.000 0.1 . 1 . . . . 130 SER C . 17663 1 455 . 1 1 89 89 SER CA C 13 57.900 0.1 . 1 . . . . 130 SER CA . 17663 1 456 . 1 1 89 89 SER CB C 13 64.150 0.1 . 1 . . . . 130 SER CB . 17663 1 457 . 1 1 89 89 SER N N 15 118.064 0.1 . 1 . . . . 130 SER N . 17663 1 458 . 1 1 90 90 HIS H H 1 8.232 0.01 . 1 . . . . 131 HIS H . 17663 1 459 . 1 1 90 90 HIS HA H 1 4.270 0.01 . 1 . . . . 131 HIS HA . 17663 1 460 . 1 1 90 90 HIS HB2 H 1 3.090 0.01 . 1 . . . . 131 HIS HB2 . 17663 1 461 . 1 1 90 90 HIS N N 15 122.200 0.1 . 1 . . . . 131 HIS N . 17663 1 462 . 1 1 91 91 PRO C C 13 177.010 0.1 . 1 . . . . 132 PRO C . 17663 1 463 . 1 1 91 91 PRO CA C 13 63.430 0.1 . 1 . . . . 132 PRO CA . 17663 1 464 . 1 1 91 91 PRO CB C 13 32.040 0.1 . 1 . . . . 132 PRO CB . 17663 1 465 . 1 1 92 92 ARG H H 1 8.685 0.01 . 1 . . . . 133 ARG H . 17663 1 466 . 1 1 92 92 ARG HA H 1 4.310 0.01 . 1 . . . . 133 ARG HA . 17663 1 467 . 1 1 92 92 ARG HB2 H 1 1.790 0.01 . 1 . . . . 133 ARG HB2 . 17663 1 468 . 1 1 92 92 ARG C C 13 176.120 0.1 . 1 . . . . 133 ARG C . 17663 1 469 . 1 1 92 92 ARG CA C 13 56.360 0.1 . 1 . . . . 133 ARG CA . 17663 1 470 . 1 1 92 92 ARG CB C 13 30.700 0.1 . 1 . . . . 133 ARG CB . 17663 1 471 . 1 1 92 92 ARG N N 15 121.606 0.1 . 1 . . . . 133 ARG N . 17663 1 472 . 1 1 93 93 ASN H H 1 8.401 0.01 . 1 . . . . 134 ASN H . 17663 1 473 . 1 1 93 93 ASN HA H 1 4.660 0.01 . 1 . . . . 134 ASN HA . 17663 1 474 . 1 1 93 93 ASN HB2 H 1 2.760 0.01 . 1 . . . . 134 ASN HB2 . 17663 1 475 . 1 1 93 93 ASN C C 13 175.160 0.1 . 1 . . . . 134 ASN C . 17663 1 476 . 1 1 93 93 ASN CA C 13 53.100 0.1 . 1 . . . . 134 ASN CA . 17663 1 477 . 1 1 93 93 ASN CB C 13 39.250 0.1 . 1 . . . . 134 ASN CB . 17663 1 478 . 1 1 93 93 ASN N N 15 119.336 0.1 . 1 . . . . 134 ASN N . 17663 1 479 . 1 1 94 94 GLY H H 1 8.115 0.01 . 1 . . . . 135 GLY H . 17663 1 480 . 1 1 94 94 GLY HA2 H 1 4.060 0.01 . 1 . . . . 135 GLY HA2 . 17663 1 481 . 1 1 94 94 GLY C C 13 173.660 0.1 . 1 . . . . 135 GLY C . 17663 1 482 . 1 1 94 94 GLY CA C 13 44.790 0.1 . 1 . . . . 135 GLY CA . 17663 1 483 . 1 1 94 94 GLY N N 15 109.202 0.1 . 1 . . . . 135 GLY N . 17663 1 484 . 1 1 95 95 PRO C C 13 177.050 0.1 . 1 . . . . 136 PRO C . 17663 1 485 . 1 1 95 95 PRO CA C 13 63.240 0.1 . 1 . . . . 136 PRO CA . 17663 1 486 . 1 1 95 95 PRO CB C 13 32.150 0.1 . 1 . . . . 136 PRO CB . 17663 1 487 . 1 1 96 96 LEU H H 1 8.288 0.01 . 1 . . . . 137 LEU H . 17663 1 488 . 1 1 96 96 LEU HA H 1 4.270 0.01 . 1 . . . . 137 LEU HA . 17663 1 489 . 1 1 96 96 LEU HB2 H 1 1.570 0.01 . 1 . . . . 137 LEU HB2 . 17663 1 490 . 1 1 96 96 LEU C C 13 177.490 0.1 . 1 . . . . 137 LEU C . 17663 1 491 . 1 1 96 96 LEU CA C 13 55.320 0.1 . 1 . . . . 137 LEU CA . 17663 1 492 . 1 1 96 96 LEU CB C 13 42.160 0.1 . 1 . . . . 137 LEU CB . 17663 1 493 . 1 1 96 96 LEU N N 15 121.837 0.1 . 1 . . . . 137 LEU N . 17663 1 494 . 1 1 97 97 ARG H H 1 8.268 0.01 . 1 . . . . 138 ARG H . 17663 1 495 . 1 1 97 97 ARG HA H 1 4.290 0.01 . 1 . . . . 138 ARG HA . 17663 1 496 . 1 1 97 97 ARG HB2 H 1 1.740 0.01 . 1 . . . . 138 ARG HB2 . 17663 1 497 . 1 1 97 97 ARG C C 13 175.930 0.1 . 1 . . . . 138 ARG C . 17663 1 498 . 1 1 97 97 ARG CA C 13 56.030 0.1 . 1 . . . . 138 ARG CA . 17663 1 499 . 1 1 97 97 ARG CB C 13 30.580 0.1 . 1 . . . . 138 ARG CB . 17663 1 500 . 1 1 97 97 ARG N N 15 121.708 0.1 . 1 . . . . 138 ARG N . 17663 1 501 . 1 1 98 98 ASN H H 1 8.411 0.01 . 1 . . . . 139 ASN H . 17663 1 502 . 1 1 98 98 ASN HA H 1 4.670 0.01 . 1 . . . . 139 ASN HA . 17663 1 503 . 1 1 98 98 ASN HB2 H 1 2.770 0.01 . 1 . . . . 139 ASN HB2 . 17663 1 504 . 1 1 98 98 ASN C C 13 175.700 0.1 . 1 . . . . 139 ASN C . 17663 1 505 . 1 1 98 98 ASN CA C 13 53.420 0.1 . 1 . . . . 139 ASN CA . 17663 1 506 . 1 1 98 98 ASN CB C 13 38.910 0.1 . 1 . . . . 139 ASN CB . 17663 1 507 . 1 1 98 98 ASN N N 15 119.542 0.1 . 1 . . . . 139 ASN N . 17663 1 508 . 1 1 99 99 GLY H H 1 8.415 0.01 . 1 . . . . 140 GLY H . 17663 1 509 . 1 1 99 99 GLY HA2 H 1 3.930 0.01 . 1 . . . . 140 GLY HA2 . 17663 1 510 . 1 1 99 99 GLY C C 13 174.190 0.1 . 1 . . . . 140 GLY C . 17663 1 511 . 1 1 99 99 GLY CA C 13 45.540 0.1 . 1 . . . . 140 GLY CA . 17663 1 512 . 1 1 99 99 GLY N N 15 109.346 0.1 . 1 . . . . 140 GLY N . 17663 1 513 . 1 1 100 100 LEU H H 1 8.014 0.01 . 1 . . . . 141 LEU H . 17663 1 514 . 1 1 100 100 LEU HA H 1 4.270 0.01 . 1 . . . . 141 LEU HA . 17663 1 515 . 1 1 100 100 LEU HB2 H 1 1.540 0.01 . 1 . . . . 141 LEU HB2 . 17663 1 516 . 1 1 100 100 LEU C C 13 177.440 0.1 . 1 . . . . 141 LEU C . 17663 1 517 . 1 1 100 100 LEU CA C 13 55.230 0.1 . 1 . . . . 141 LEU CA . 17663 1 518 . 1 1 100 100 LEU CB C 13 42.300 0.1 . 1 . . . . 141 LEU CB . 17663 1 519 . 1 1 100 100 LEU N N 15 121.110 0.1 . 1 . . . . 141 LEU N . 17663 1 520 . 1 1 101 101 GLU H H 1 8.394 0.01 . 1 . . . . 142 GLU H . 17663 1 521 . 1 1 101 101 GLU HA H 1 4.150 0.01 . 1 . . . . 142 GLU HA . 17663 1 522 . 1 1 101 101 GLU HB2 H 1 2.120 0.01 . 1 . . . . 142 GLU HB2 . 17663 1 523 . 1 1 101 101 GLU C C 13 176.220 0.1 . 1 . . . . 142 GLU C . 17663 1 524 . 1 1 101 101 GLU CA C 13 56.780 0.1 . 1 . . . . 142 GLU CA . 17663 1 525 . 1 1 101 101 GLU CB C 13 30.010 0.1 . 1 . . . . 142 GLU CB . 17663 1 526 . 1 1 101 101 GLU N N 15 120.849 0.1 . 1 . . . . 142 GLU N . 17663 1 stop_ save_