data_16698 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16698 _Entry.Title ; HVS ORF57 8-120 backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-29 _Entry.Accession_date 2010-01-29 _Entry.Last_release_date 2011-01-25 _Entry.Original_release_date 2011-01-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Richard Tunnicliffe N. B. . 16698 2 Alexander Golovanov . P. . 16698 3 Stuart Wilson . A. . 16698 4 Guillaume Hautbergue . M. . 16698 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16698 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'REF ICP27 HSV-1' . 16698 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16698 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 16698 '15N chemical shifts' 229 16698 '1H chemical shifts' 515 16698 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 . . 2011-01-25 2010-01-29 original author . 16698 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16683 'REF 54-155 with ICP27 103-138' 16698 BMRB 7435 'REF 54-155 with ORF57_8-120' 16698 PDB 2F3J 'REF in free form' 16698 PDB 2KT5 'BMRB Entry Tracking System' 16698 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16698 _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 e1001244 _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. . 16698 1 2 Guillaume Hautbergue . M. . 16698 1 3 Priti Kalra . . . 16698 1 4 Brian Jackson . R. . 16698 1 5 Adrian Whitehouse . . . 16698 1 6 Stuart Wilson . A. . 16698 1 7 Alexander Golovanov . P. . 16698 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16698 _Assembly.ID 1 _Assembly.Name ORF57 _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 . _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_8-120 1 $ORF57_8-120 A . yes native no no . . . 16698 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ORF57_8-120 _Entity.Sf_category entity _Entity.Sf_framecode ORF57_8-120 _Entity.Entry_ID 16698 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ORF57_8-120 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASMTGGQQMGRDPGISSDD DFDSSDSSSDEEESDTSPQI MKSDVTMASPPSTPEPSPDV SASTSNLKRERQRSPITWEH QSPLSRVYRSPSPMRFGKRP RISSNSTSRSCKTSWADRVR EAAAQRRLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 8-120 are correctly numbered for wild type sequence' _Entity.Polymer_author_seq_details ; The construct contains the following non-ORF57 sequence at N-termini: MASMTGGQQMGRDP (assigned residue numbers -4 to 7) Plus the following at C-termini: LEHHHHHH (assigned residue numbers 121 to 128) ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'REF interaction fragment' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4268.970 _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]" . . . . . 83.70 417 100.00 100.00 1.00e-68 . . . . 16698 1 2 no EMBL CAC84353 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 83.70 427 98.23 98.23 2.26e-66 . . . . 16698 1 3 no EMBL CAC84354 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 64.44 385 97.70 97.70 6.61e-48 . . . . 16698 1 4 no GB AAA46125 . "transactivator, partial [Saimiriine herpesvirus 2]" . . . . . 83.70 412 100.00 100.00 6.69e-69 . . . . 16698 1 5 no GB AAA66558 . "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" . . . . . 64.44 384 100.00 100.00 1.99e-50 . . . . 16698 1 6 no PIR WMBEHA . "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" . . . . . 83.70 417 100.00 100.00 1.00e-68 . . . . 16698 1 7 no REF NP_040259 . "unnamed protein product [Saimiriine herpesvirus 2]" . . . . . 83.70 417 100.00 100.00 1.00e-68 . . . . 16698 1 8 no SP P13199 . "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " . . . . . 83.70 417 100.00 100.00 1.00e-68 . . . . 16698 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 -6 MET . 16698 1 2 -5 ALA . 16698 1 3 -4 SER . 16698 1 4 -3 MET . 16698 1 5 -2 THR . 16698 1 6 -1 GLY . 16698 1 7 0 GLY . 16698 1 8 1 GLN . 16698 1 9 2 GLN . 16698 1 10 3 MET . 16698 1 11 4 GLY . 16698 1 12 5 ARG . 16698 1 13 6 ASP . 16698 1 14 7 PRO . 16698 1 15 8 GLY . 16698 1 16 9 ILE . 16698 1 17 10 SER . 16698 1 18 11 SER . 16698 1 19 12 ASP . 16698 1 20 13 ASP . 16698 1 21 14 ASP . 16698 1 22 15 PHE . 16698 1 23 16 ASP . 16698 1 24 17 SER . 16698 1 25 18 SER . 16698 1 26 19 ASP . 16698 1 27 20 SER . 16698 1 28 21 SER . 16698 1 29 22 SER . 16698 1 30 23 ASP . 16698 1 31 24 GLU . 16698 1 32 25 GLU . 16698 1 33 26 GLU . 16698 1 34 27 SER . 16698 1 35 28 ASP . 16698 1 36 29 THR . 16698 1 37 30 SER . 16698 1 38 31 PRO . 16698 1 39 32 GLN . 16698 1 40 33 ILE . 16698 1 41 34 MET . 16698 1 42 35 LYS . 16698 1 43 36 SER . 16698 1 44 37 ASP . 16698 1 45 38 VAL . 16698 1 46 39 THR . 16698 1 47 40 MET . 16698 1 48 41 ALA . 16698 1 49 42 SER . 16698 1 50 43 PRO . 16698 1 51 44 PRO . 16698 1 52 45 SER . 16698 1 53 46 THR . 16698 1 54 47 PRO . 16698 1 55 48 GLU . 16698 1 56 49 PRO . 16698 1 57 50 SER . 16698 1 58 51 PRO . 16698 1 59 52 ASP . 16698 1 60 53 VAL . 16698 1 61 54 SER . 16698 1 62 55 ALA . 16698 1 63 56 SER . 16698 1 64 57 THR . 16698 1 65 58 SER . 16698 1 66 59 ASN . 16698 1 67 60 LEU . 16698 1 68 61 LYS . 16698 1 69 62 ARG . 16698 1 70 63 GLU . 16698 1 71 64 ARG . 16698 1 72 65 GLN . 16698 1 73 66 ARG . 16698 1 74 67 SER . 16698 1 75 68 PRO . 16698 1 76 69 ILE . 16698 1 77 70 THR . 16698 1 78 71 TRP . 16698 1 79 72 GLU . 16698 1 80 73 HIS . 16698 1 81 74 GLN . 16698 1 82 75 SER . 16698 1 83 76 PRO . 16698 1 84 77 LEU . 16698 1 85 78 SER . 16698 1 86 79 ARG . 16698 1 87 80 VAL . 16698 1 88 81 TYR . 16698 1 89 82 ARG . 16698 1 90 83 SER . 16698 1 91 84 PRO . 16698 1 92 85 SER . 16698 1 93 86 PRO . 16698 1 94 87 MET . 16698 1 95 88 ARG . 16698 1 96 89 PHE . 16698 1 97 90 GLY . 16698 1 98 91 LYS . 16698 1 99 92 ARG . 16698 1 100 93 PRO . 16698 1 101 94 ARG . 16698 1 102 95 ILE . 16698 1 103 96 SER . 16698 1 104 97 SER . 16698 1 105 98 ASN . 16698 1 106 99 SER . 16698 1 107 100 THR . 16698 1 108 101 SER . 16698 1 109 102 ARG . 16698 1 110 103 SER . 16698 1 111 104 CYS . 16698 1 112 105 LYS . 16698 1 113 106 THR . 16698 1 114 107 SER . 16698 1 115 108 TRP . 16698 1 116 109 ALA . 16698 1 117 110 ASP . 16698 1 118 111 ARG . 16698 1 119 112 VAL . 16698 1 120 113 ARG . 16698 1 121 114 GLU . 16698 1 122 115 ALA . 16698 1 123 116 ALA . 16698 1 124 117 ALA . 16698 1 125 118 GLN . 16698 1 126 119 ARG . 16698 1 127 120 ARG . 16698 1 128 121 LEU . 16698 1 129 122 GLU . 16698 1 130 123 HIS . 16698 1 131 124 HIS . 16698 1 132 125 HIS . 16698 1 133 126 HIS . 16698 1 134 127 HIS . 16698 1 135 128 HIS . 16698 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 16698 1 . ALA 2 2 16698 1 . SER 3 3 16698 1 . MET 4 4 16698 1 . THR 5 5 16698 1 . GLY 6 6 16698 1 . GLY 7 7 16698 1 . GLN 8 8 16698 1 . GLN 9 9 16698 1 . MET 10 10 16698 1 . GLY 11 11 16698 1 . ARG 12 12 16698 1 . ASP 13 13 16698 1 . PRO 14 14 16698 1 . GLY 15 15 16698 1 . ILE 16 16 16698 1 . SER 17 17 16698 1 . SER 18 18 16698 1 . ASP 19 19 16698 1 . ASP 20 20 16698 1 . ASP 21 21 16698 1 . PHE 22 22 16698 1 . ASP 23 23 16698 1 . SER 24 24 16698 1 . SER 25 25 16698 1 . ASP 26 26 16698 1 . SER 27 27 16698 1 . SER 28 28 16698 1 . SER 29 29 16698 1 . ASP 30 30 16698 1 . GLU 31 31 16698 1 . GLU 32 32 16698 1 . GLU 33 33 16698 1 . SER 34 34 16698 1 . ASP 35 35 16698 1 . THR 36 36 16698 1 . SER 37 37 16698 1 . PRO 38 38 16698 1 . GLN 39 39 16698 1 . ILE 40 40 16698 1 . MET 41 41 16698 1 . LYS 42 42 16698 1 . SER 43 43 16698 1 . ASP 44 44 16698 1 . VAL 45 45 16698 1 . THR 46 46 16698 1 . MET 47 47 16698 1 . ALA 48 48 16698 1 . SER 49 49 16698 1 . PRO 50 50 16698 1 . PRO 51 51 16698 1 . SER 52 52 16698 1 . THR 53 53 16698 1 . PRO 54 54 16698 1 . GLU 55 55 16698 1 . PRO 56 56 16698 1 . SER 57 57 16698 1 . PRO 58 58 16698 1 . ASP 59 59 16698 1 . VAL 60 60 16698 1 . SER 61 61 16698 1 . ALA 62 62 16698 1 . SER 63 63 16698 1 . THR 64 64 16698 1 . SER 65 65 16698 1 . ASN 66 66 16698 1 . LEU 67 67 16698 1 . LYS 68 68 16698 1 . ARG 69 69 16698 1 . GLU 70 70 16698 1 . ARG 71 71 16698 1 . GLN 72 72 16698 1 . ARG 73 73 16698 1 . SER 74 74 16698 1 . PRO 75 75 16698 1 . ILE 76 76 16698 1 . THR 77 77 16698 1 . TRP 78 78 16698 1 . GLU 79 79 16698 1 . HIS 80 80 16698 1 . GLN 81 81 16698 1 . SER 82 82 16698 1 . PRO 83 83 16698 1 . LEU 84 84 16698 1 . SER 85 85 16698 1 . ARG 86 86 16698 1 . VAL 87 87 16698 1 . TYR 88 88 16698 1 . ARG 89 89 16698 1 . SER 90 90 16698 1 . PRO 91 91 16698 1 . SER 92 92 16698 1 . PRO 93 93 16698 1 . MET 94 94 16698 1 . ARG 95 95 16698 1 . PHE 96 96 16698 1 . GLY 97 97 16698 1 . LYS 98 98 16698 1 . ARG 99 99 16698 1 . PRO 100 100 16698 1 . ARG 101 101 16698 1 . ILE 102 102 16698 1 . SER 103 103 16698 1 . SER 104 104 16698 1 . ASN 105 105 16698 1 . SER 106 106 16698 1 . THR 107 107 16698 1 . SER 108 108 16698 1 . ARG 109 109 16698 1 . SER 110 110 16698 1 . CYS 111 111 16698 1 . LYS 112 112 16698 1 . THR 113 113 16698 1 . SER 114 114 16698 1 . TRP 115 115 16698 1 . ALA 116 116 16698 1 . ASP 117 117 16698 1 . ARG 118 118 16698 1 . VAL 119 119 16698 1 . ARG 120 120 16698 1 . GLU 121 121 16698 1 . ALA 122 122 16698 1 . ALA 123 123 16698 1 . ALA 124 124 16698 1 . GLN 125 125 16698 1 . ARG 126 126 16698 1 . ARG 127 127 16698 1 . LEU 128 128 16698 1 . GLU 129 129 16698 1 . HIS 130 130 16698 1 . HIS 131 131 16698 1 . HIS 132 132 16698 1 . HIS 133 133 16698 1 . HIS 134 134 16698 1 . HIS 135 135 16698 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 16698 _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 $ORF57_8-120 . 10298 virus . 'Herpes simplex virus type 1' 'Human herpesvirus 1' . . Viruses . Simplexvirus 'Human herpesvirus 1' . . . . . . . . . . . . . . . . . . . . . 16698 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 16698 _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 $ORF57_8-120 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) RP' . . . . . . . . . . . . . . . pET24b . . . . . . 16698 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16698 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N-ORF57 8-120' _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 'ORF57 8-120' '[U-99% 13C; U-99% 15N]' . . 1 $ORF57_8-120 . . 1 . . mM 0.05 . . . 16698 1 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16698 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16698 1 4 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 16698 1 5 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 16698 1 6 2-mercaptoethanol 'natural abundance' . . . . . . 50 . . mM . . . . 16698 1 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16698 1 8 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 16698 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 16698 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Na phosphate buffer, pH 6.2, 50 mM NaCl, 50 mM L-Arg, 50 mM L-Glu, 50 mM 2-mercaptoethanol, 10 mM DTT, 10 mM EDTA' 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' 50 0.5 mM 16698 1 pH 6.2 0.05 pH 16698 1 pressure 1 . atm 16698 1 temperature 288 0.1 K 16698 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16698 _Sample_condition_list.ID 2 _Sample_condition_list.Details '20 mM Na phosphate buffer, pH 6.2, 50 mM NaCl, 50 mM L-Arg, 50 mM L-Glu, 50 mM 2-mercaptoethanol, 10 mM DTT, 10 mM EDTA' 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' 50 0.5 mM 16698 2 pH 6.2 0.05 pH 16698 2 pressure 1 . atm 16698 2 temperature 303 0.1 K 16698 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16698 _Software.ID 1 _Software.Name SPARKY _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16698 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16698 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 16698 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Majority of spectra acquired on 600' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700 _NMR_spectrometer.Entry_ID 16698 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Used for carbon-detection spectra' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _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 16698 _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 1 600 Bruker DRX . 600 'Majority of spectra acquired on 600' . . 16698 1 2 700 Bruker 'Avance II+' . 700 'Used for carbon-detection spectra' . . 16698 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 16698 _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 . . 2 $sample_conditions_2 . . . 1 $600 . . . . . . . . . . . . . . . . 16698 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $600 . . . . . . . . . . . . . . . . 16698 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $600 . . . . . . . . . . . . . . . . 16698 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 5 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 6 '2D CaCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 7 '2D CbCaCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 8 '2D CbCaCO(N)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 9 '3D CbCaCO(N)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 10 '3D CbCaNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 16698 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode shift_ref _Chem_shift_reference.Entry_ID 16698 _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 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 16698 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 16698 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 16698 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_Free_ORF57_288k _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Free_ORF57_288k _Assigned_chem_shift_list.Entry_ID 16698 _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 $shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.10 _Assigned_chem_shift_list.Chem_shift_15N_err 0.10 _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 'The file contains assignments for ORF57 8-120 free form at 288k' _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 4 '3D HNCO' . . . 16698 1 5 '2D CON' . . . 16698 1 6 '2D CaCO' . . . 16698 1 7 '2D CbCaCO' . . . 16698 1 8 '2D CbCaCO(N)' . . . 16698 1 9 '3D CbCaCO(N)' . . . 16698 1 10 '3D CbCaNCO' . . . 16698 1 11 '2D 1H-15N HSQC' . . . 16698 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16698 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 3 3 SER HA H 1 4.570 0.020 . 1 . . . . -4 SER HA . 16698 1 2 . 1 1 3 3 SER HB2 H 1 3.910 0.020 . 2 . . . . -4 SER HB2 . 16698 1 3 . 1 1 3 3 SER C C 13 174.099 0.100 . 1 . . . . -4 SER C . 16698 1 4 . 1 1 3 3 SER CA C 13 59.520 0.100 . 1 . . . . -4 SER CA . 16698 1 5 . 1 1 3 3 SER CB C 13 64.980 0.100 . 1 . . . . -4 SER CB . 16698 1 6 . 1 1 3 3 SER N N 15 115.693 0.100 . 1 . . . . -4 SER N . 16698 1 7 . 1 1 4 4 MET H H 1 8.802 0.020 . 1 . . . . -3 MET H . 16698 1 8 . 1 1 4 4 MET HA H 1 4.650 0.020 . 1 . . . . -3 MET HA . 16698 1 9 . 1 1 4 4 MET HB2 H 1 2.110 0.020 . 2 . . . . -3 MET HB2 . 16698 1 10 . 1 1 4 4 MET HB3 H 1 2.160 0.020 . 2 . . . . -3 MET HB3 . 16698 1 11 . 1 1 4 4 MET C C 13 176.122 0.100 . 1 . . . . -3 MET C . 16698 1 12 . 1 1 4 4 MET CA C 13 56.860 0.100 . 1 . . . . -3 MET CA . 16698 1 13 . 1 1 4 4 MET CB C 13 34.120 0.100 . 1 . . . . -3 MET CB . 16698 1 14 . 1 1 4 4 MET N N 15 122.862 0.100 . 1 . . . . -3 MET N . 16698 1 15 . 1 1 5 5 THR H H 1 8.338 0.020 . 1 . . . . -2 THR H . 16698 1 16 . 1 1 5 5 THR HA H 1 4.440 0.020 . 1 . . . . -2 THR HA . 16698 1 17 . 1 1 5 5 THR HB H 1 4.290 0.020 . 1 . . . . -2 THR HB . 16698 1 18 . 1 1 5 5 THR C C 13 174.739 0.100 . 1 . . . . -2 THR C . 16698 1 19 . 1 1 5 5 THR CA C 13 63.050 0.100 . 1 . . . . -2 THR CA . 16698 1 20 . 1 1 5 5 THR CB C 13 70.820 0.100 . 1 . . . . -2 THR CB . 16698 1 21 . 1 1 5 5 THR N N 15 114.657 0.100 . 1 . . . . -2 THR N . 16698 1 22 . 1 1 6 6 GLY H H 1 8.568 0.020 . 1 . . . . -1 GLY H . 16698 1 23 . 1 1 6 6 GLY HA2 H 1 4.040 0.020 . 1 . . . . -1 GLY HA1 . 16698 1 24 . 1 1 6 6 GLY C C 13 174.331 0.100 . 1 . . . . -1 GLY C . 16698 1 25 . 1 1 6 6 GLY CA C 13 46.480 0.100 . 1 . . . . -1 GLY CA . 16698 1 26 . 1 1 6 6 GLY N N 15 111.288 0.100 . 1 . . . . -1 GLY N . 16698 1 27 . 1 1 7 7 GLY H H 1 8.398 0.020 . 1 . . . . 0 GLY H . 16698 1 28 . 1 1 7 7 GLY HA2 H 1 4.010 0.020 . 1 . . . . 0 GLY HA1 . 16698 1 29 . 1 1 7 7 GLY C C 13 173.876 0.100 . 1 . . . . 0 GLY C . 16698 1 30 . 1 1 7 7 GLY CA C 13 46.340 0.100 . 1 . . . . 0 GLY CA . 16698 1 31 . 1 1 7 7 GLY N N 15 108.556 0.100 . 1 . . . . 0 GLY N . 16698 1 32 . 1 1 8 8 GLN H H 1 8.416 0.020 . 1 . . . . 1 GLN H . 16698 1 33 . 1 1 8 8 GLN HA H 1 4.350 0.020 . 1 . . . . 1 GLN HA . 16698 1 34 . 1 1 8 8 GLN HB2 H 1 2.040 0.020 . 2 . . . . 1 GLN HB2 . 16698 1 35 . 1 1 8 8 GLN HB3 H 1 2.140 0.020 . 2 . . . . 1 GLN HB3 . 16698 1 36 . 1 1 8 8 GLN C C 13 175.649 0.100 . 1 . . . . 1 GLN C . 16698 1 37 . 1 1 8 8 GLN CA C 13 57.050 0.100 . 1 . . . . 1 GLN CA . 16698 1 38 . 1 1 8 8 GLN CB C 13 30.500 0.100 . 1 . . . . 1 GLN CB . 16698 1 39 . 1 1 8 8 GLN N N 15 119.713 0.100 . 1 . . . . 1 GLN N . 16698 1 40 . 1 1 9 9 GLN H H 1 8.629 0.020 . 1 . . . . 2 GLN H . 16698 1 41 . 1 1 9 9 GLN HA H 1 4.350 0.020 . 1 . . . . 2 GLN HA . 16698 1 42 . 1 1 9 9 GLN HB2 H 1 2.030 0.020 . 2 . . . . 2 GLN HB2 . 16698 1 43 . 1 1 9 9 GLN HB3 H 1 2.150 0.020 . 2 . . . . 2 GLN HB3 . 16698 1 44 . 1 1 9 9 GLN C C 13 175.601 0.100 . 1 . . . . 2 GLN C . 16698 1 45 . 1 1 9 9 GLN CA C 13 57.090 0.100 . 1 . . . . 2 GLN CA . 16698 1 46 . 1 1 9 9 GLN CB C 13 30.500 0.100 . 1 . . . . 2 GLN CB . 16698 1 47 . 1 1 9 9 GLN N N 15 121.537 0.100 . 1 . . . . 2 GLN N . 16698 1 48 . 1 1 10 10 MET H H 1 8.568 0.020 . 1 . . . . 3 MET H . 16698 1 49 . 1 1 10 10 MET HA H 1 4.520 0.020 . 1 . . . . 3 MET HA . 16698 1 50 . 1 1 10 10 MET HB2 H 1 2.040 0.020 . 2 . . . . 3 MET HB2 . 16698 1 51 . 1 1 10 10 MET HB3 H 1 2.120 0.020 . 2 . . . . 3 MET HB3 . 16698 1 52 . 1 1 10 10 MET C C 13 176.304 0.100 . 1 . . . . 3 MET C . 16698 1 53 . 1 1 10 10 MET CA C 13 56.880 0.100 . 1 . . . . 3 MET CA . 16698 1 54 . 1 1 10 10 MET CB C 13 33.980 0.100 . 1 . . . . 3 MET CB . 16698 1 55 . 1 1 10 10 MET N N 15 121.708 0.100 . 1 . . . . 3 MET N . 16698 1 56 . 1 1 11 11 GLY H H 1 8.560 0.020 . 1 . . . . 4 GLY H . 16698 1 57 . 1 1 11 11 GLY HA2 H 1 3.990 0.020 . 1 . . . . 4 GLY HA1 . 16698 1 58 . 1 1 11 11 GLY C C 13 173.281 0.100 . 1 . . . . 4 GLY C . 16698 1 59 . 1 1 11 11 GLY CA C 13 46.280 0.100 . 1 . . . . 4 GLY CA . 16698 1 60 . 1 1 11 11 GLY N N 15 110.174 0.100 . 1 . . . . 4 GLY N . 16698 1 61 . 1 1 12 12 ARG H H 1 8.214 0.020 . 1 . . . . 5 ARG H . 16698 1 62 . 1 1 12 12 ARG HA H 1 4.380 0.020 . 1 . . . . 5 ARG HA . 16698 1 63 . 1 1 12 12 ARG HB2 H 1 1.750 0.020 . 2 . . . . 5 ARG HB2 . 16698 1 64 . 1 1 12 12 ARG HB3 H 1 1.860 0.020 . 2 . . . . 5 ARG HB3 . 16698 1 65 . 1 1 12 12 ARG C C 13 175.341 0.100 . 1 . . . . 5 ARG C . 16698 1 66 . 1 1 12 12 ARG CA C 13 56.930 0.100 . 1 . . . . 5 ARG CA . 16698 1 67 . 1 1 12 12 ARG CB C 13 32.280 0.100 . 1 . . . . 5 ARG CB . 16698 1 68 . 1 1 12 12 ARG N N 15 120.197 0.100 . 1 . . . . 5 ARG N . 16698 1 69 . 1 1 13 13 ASP H H 1 8.596 0.020 . 1 . . . . 6 ASP H . 16698 1 70 . 1 1 13 13 ASP HA H 1 4.890 0.020 . 1 . . . . 6 ASP HA . 16698 1 71 . 1 1 13 13 ASP HB2 H 1 2.590 0.020 . 2 . . . . 6 ASP HB2 . 16698 1 72 . 1 1 13 13 ASP HB3 H 1 2.800 0.020 . 2 . . . . 6 ASP HB3 . 16698 1 73 . 1 1 13 13 ASP C C 13 174.405 0.100 . 1 . . . . 6 ASP C . 16698 1 74 . 1 1 13 13 ASP CA C 13 53.320 0.100 . 1 . . . . 6 ASP CA . 16698 1 75 . 1 1 13 13 ASP CB C 13 42.400 0.100 . 1 . . . . 6 ASP CB . 16698 1 76 . 1 1 13 13 ASP N N 15 123.858 0.100 . 1 . . . . 6 ASP N . 16698 1 77 . 1 1 14 14 PRO HA H 1 4.460 0.020 . 1 . . . . 7 PRO HA . 16698 1 78 . 1 1 14 14 PRO HB2 H 1 2.020 0.020 . 2 . . . . 7 PRO HB2 . 16698 1 79 . 1 1 14 14 PRO HB3 H 1 2.310 0.020 . 2 . . . . 7 PRO HB3 . 16698 1 80 . 1 1 14 14 PRO C C 13 177.060 0.100 . 1 . . . . 7 PRO C . 16698 1 81 . 1 1 14 14 PRO CA C 13 64.780 0.100 . 1 . . . . 7 PRO CA . 16698 1 82 . 1 1 14 14 PRO CB C 13 33.330 0.100 . 1 . . . . 7 PRO CB . 16698 1 83 . 1 1 14 14 PRO N N 15 136.872 0.100 . 1 . . . . 7 PRO N . 16698 1 84 . 1 1 15 15 GLY H H 1 8.660 0.020 . 1 . . . . 8 GLY H . 16698 1 85 . 1 1 15 15 GLY HA2 H 1 3.990 0.020 . 1 . . . . 8 GLY HA1 . 16698 1 86 . 1 1 15 15 GLY HA3 H 1 3.920 0.020 . 2 . . . . 8 GLY HA2 . 16698 1 87 . 1 1 15 15 GLY C C 13 173.619 0.100 . 1 . . . . 8 GLY C . 16698 1 88 . 1 1 15 15 GLY CA C 13 46.350 0.100 . 1 . . . . 8 GLY CA . 16698 1 89 . 1 1 15 15 GLY N N 15 108.388 0.100 . 1 . . . . 8 GLY N . 16698 1 90 . 1 1 16 16 ILE H H 1 7.899 0.020 . 1 . . . . 9 ILE H . 16698 1 91 . 1 1 16 16 ILE HA H 1 4.290 0.020 . 1 . . . . 9 ILE HA . 16698 1 92 . 1 1 16 16 ILE HB H 1 1.930 0.020 . 1 . . . . 9 ILE HB . 16698 1 93 . 1 1 16 16 ILE C C 13 175.821 0.100 . 1 . . . . 9 ILE C . 16698 1 94 . 1 1 16 16 ILE CA C 13 62.010 0.100 . 1 . . . . 9 ILE CA . 16698 1 95 . 1 1 16 16 ILE CB C 13 40.010 0.100 . 1 . . . . 9 ILE CB . 16698 1 96 . 1 1 16 16 ILE N N 15 119.562 0.100 . 1 . . . . 9 ILE N . 16698 1 97 . 1 1 17 17 SER H H 1 8.562 0.020 . 1 . . . . 10 SER H . 16698 1 98 . 1 1 17 17 SER HA H 1 4.570 0.020 . 1 . . . . 10 SER HA . 16698 1 99 . 1 1 17 17 SER HB2 H 1 3.910 0.020 . 2 . . . . 10 SER HB2 . 16698 1 100 . 1 1 17 17 SER C C 13 174.093 0.100 . 1 . . . . 10 SER C . 16698 1 101 . 1 1 17 17 SER CA C 13 59.300 0.100 . 1 . . . . 10 SER CA . 16698 1 102 . 1 1 17 17 SER CB C 13 65.180 0.100 . 1 . . . . 10 SER CB . 16698 1 103 . 1 1 17 17 SER N N 15 120.154 0.100 . 1 . . . . 10 SER N . 16698 1 104 . 1 1 18 18 SER H H 1 8.570 0.020 . 1 . . . . 11 SER H . 16698 1 105 . 1 1 18 18 SER HA H 1 4.520 0.020 . 1 . . . . 11 SER HA . 16698 1 106 . 1 1 18 18 SER HB2 H 1 3.900 0.020 . 2 . . . . 11 SER HB2 . 16698 1 107 . 1 1 18 18 SER C C 13 173.978 0.100 . 1 . . . . 11 SER C . 16698 1 108 . 1 1 18 18 SER CA C 13 59.490 0.100 . 1 . . . . 11 SER CA . 16698 1 109 . 1 1 18 18 SER CB C 13 65.220 0.100 . 1 . . . . 11 SER CB . 16698 1 110 . 1 1 18 18 SER N N 15 118.250 0.100 . 1 . . . . 11 SER N . 16698 1 111 . 1 1 19 19 ASP H H 1 8.506 0.020 . 1 . . . . 12 ASP H . 16698 1 112 . 1 1 19 19 ASP HA H 1 4.630 0.020 . 1 . . . . 12 ASP HA . 16698 1 113 . 1 1 19 19 ASP HB2 H 1 2.760 0.020 . 2 . . . . 12 ASP HB2 . 16698 1 114 . 1 1 19 19 ASP C C 13 175.612 0.100 . 1 . . . . 12 ASP C . 16698 1 115 . 1 1 19 19 ASP CA C 13 55.870 0.100 . 1 . . . . 12 ASP CA . 16698 1 116 . 1 1 19 19 ASP CB C 13 42.150 0.100 . 1 . . . . 12 ASP CB . 16698 1 117 . 1 1 19 19 ASP N N 15 122.265 0.100 . 1 . . . . 12 ASP N . 16698 1 118 . 1 1 20 20 ASP H H 1 8.242 0.020 . 1 . . . . 13 ASP H . 16698 1 119 . 1 1 20 20 ASP HA H 1 4.600 0.020 . 1 . . . . 13 ASP HA . 16698 1 120 . 1 1 20 20 ASP HB2 H 1 2.620 0.020 . 2 . . . . 13 ASP HB2 . 16698 1 121 . 1 1 20 20 ASP C C 13 175.455 0.100 . 1 . . . . 13 ASP C . 16698 1 122 . 1 1 20 20 ASP CA C 13 55.710 0.100 . 1 . . . . 13 ASP CA . 16698 1 123 . 1 1 20 20 ASP CB C 13 42.270 0.100 . 1 . . . . 13 ASP CB . 16698 1 124 . 1 1 20 20 ASP N N 15 119.870 0.100 . 1 . . . . 13 ASP N . 16698 1 125 . 1 1 21 21 ASP H H 1 8.230 0.020 . 1 . . . . 14 ASP H . 16698 1 126 . 1 1 21 21 ASP HA H 1 4.620 0.020 . 1 . . . . 14 ASP HA . 16698 1 127 . 1 1 21 21 ASP HB2 H 1 2.590 0.020 . 2 . . . . 14 ASP HB2 . 16698 1 128 . 1 1 21 21 ASP HB3 H 1 2.650 0.020 . 2 . . . . 14 ASP HB3 . 16698 1 129 . 1 1 21 21 ASP C C 13 175.545 0.100 . 1 . . . . 14 ASP C . 16698 1 130 . 1 1 21 21 ASP CA C 13 55.550 0.100 . 1 . . . . 14 ASP CA . 16698 1 131 . 1 1 21 21 ASP CB C 13 42.270 0.100 . 1 . . . . 14 ASP CB . 16698 1 132 . 1 1 21 21 ASP N N 15 120.074 0.100 . 1 . . . . 14 ASP N . 16698 1 133 . 1 1 22 22 PHE H H 1 8.149 0.020 . 1 . . . . 15 PHE H . 16698 1 134 . 1 1 22 22 PHE HA H 1 4.580 0.020 . 1 . . . . 15 PHE HA . 16698 1 135 . 1 1 22 22 PHE HB2 H 1 3.090 0.020 . 2 . . . . 15 PHE HB2 . 16698 1 136 . 1 1 22 22 PHE HB3 H 1 3.160 0.020 . 2 . . . . 15 PHE HB3 . 16698 1 137 . 1 1 22 22 PHE C C 13 174.994 0.100 . 1 . . . . 15 PHE C . 16698 1 138 . 1 1 22 22 PHE CA C 13 59.230 0.100 . 1 . . . . 15 PHE CA . 16698 1 139 . 1 1 22 22 PHE CB C 13 40.700 0.100 . 1 . . . . 15 PHE CB . 16698 1 140 . 1 1 22 22 PHE N N 15 120.277 0.100 . 1 . . . . 15 PHE N . 16698 1 141 . 1 1 23 23 ASP H H 1 8.411 0.020 . 1 . . . . 16 ASP H . 16698 1 142 . 1 1 23 23 ASP HA H 1 4.660 0.020 . 1 . . . . 16 ASP HA . 16698 1 143 . 1 1 23 23 ASP HB2 H 1 2.610 0.020 . 2 . . . . 16 ASP HB2 . 16698 1 144 . 1 1 23 23 ASP HB3 H 1 2.750 0.020 . 2 . . . . 16 ASP HB3 . 16698 1 145 . 1 1 23 23 ASP C C 13 175.680 0.100 . 1 . . . . 16 ASP C . 16698 1 146 . 1 1 23 23 ASP CA C 13 55.430 0.100 . 1 . . . . 16 ASP CA . 16698 1 147 . 1 1 23 23 ASP CB C 13 42.460 0.100 . 1 . . . . 16 ASP CB . 16698 1 148 . 1 1 23 23 ASP N N 15 122.044 0.100 . 1 . . . . 16 ASP N . 16698 1 149 . 1 1 24 24 SER H H 1 8.352 0.020 . 1 . . . . 17 SER H . 16698 1 150 . 1 1 24 24 SER HA H 1 4.510 0.020 . 1 . . . . 17 SER HA . 16698 1 151 . 1 1 24 24 SER HB2 H 1 3.900 0.020 . 2 . . . . 17 SER HB2 . 16698 1 152 . 1 1 24 24 SER HB3 H 1 3.950 0.020 . 2 . . . . 17 SER HB3 . 16698 1 153 . 1 1 24 24 SER C C 13 174.500 0.100 . 1 . . . . 17 SER C . 16698 1 154 . 1 1 24 24 SER CA C 13 59.730 0.100 . 1 . . . . 17 SER CA . 16698 1 155 . 1 1 24 24 SER CB C 13 65.010 0.100 . 1 . . . . 17 SER CB . 16698 1 156 . 1 1 24 24 SER N N 15 117.215 0.100 . 1 . . . . 17 SER N . 16698 1 157 . 1 1 25 25 SER H H 1 8.512 0.020 . 1 . . . . 18 SER H . 16698 1 158 . 1 1 25 25 SER HA H 1 4.450 0.020 . 1 . . . . 18 SER HA . 16698 1 159 . 1 1 25 25 SER HB2 H 1 3.940 0.020 . 2 . . . . 18 SER HB2 . 16698 1 160 . 1 1 25 25 SER C C 13 173.940 0.100 . 1 . . . . 18 SER C . 16698 1 161 . 1 1 25 25 SER CA C 13 60.210 0.100 . 1 . . . . 18 SER CA . 16698 1 162 . 1 1 25 25 SER CB C 13 65.100 0.100 . 1 . . . . 18 SER CB . 16698 1 163 . 1 1 25 25 SER N N 15 118.004 0.100 . 1 . . . . 18 SER N . 16698 1 164 . 1 1 26 26 ASP H H 1 8.425 0.020 . 1 . . . . 19 ASP H . 16698 1 165 . 1 1 26 26 ASP HA H 1 4.710 0.020 . 1 . . . . 19 ASP HA . 16698 1 166 . 1 1 26 26 ASP HB2 H 1 2.680 0.020 . 2 . . . . 19 ASP HB2 . 16698 1 167 . 1 1 26 26 ASP HB3 H 1 2.760 0.020 . 2 . . . . 19 ASP HB3 . 16698 1 168 . 1 1 26 26 ASP C C 13 175.885 0.100 . 1 . . . . 19 ASP C . 16698 1 169 . 1 1 26 26 ASP CA C 13 55.470 0.100 . 1 . . . . 19 ASP CA . 16698 1 170 . 1 1 26 26 ASP CB C 13 42.410 0.100 . 1 . . . . 19 ASP CB . 16698 1 171 . 1 1 26 26 ASP N N 15 122.200 0.100 . 1 . . . . 19 ASP N . 16698 1 172 . 1 1 27 27 SER H H 1 8.366 0.020 . 1 . . . . 20 SER H . 16698 1 173 . 1 1 27 27 SER HA H 1 4.510 0.020 . 1 . . . . 20 SER HA . 16698 1 174 . 1 1 27 27 SER HB2 H 1 3.890 0.020 . 2 . . . . 20 SER HB2 . 16698 1 175 . 1 1 27 27 SER HB3 H 1 3.950 0.020 . 2 . . . . 20 SER HB3 . 16698 1 176 . 1 1 27 27 SER C C 13 174.340 0.100 . 1 . . . . 20 SER C . 16698 1 177 . 1 1 27 27 SER CA C 13 59.730 0.100 . 1 . . . . 20 SER CA . 16698 1 178 . 1 1 27 27 SER CB C 13 65.010 0.100 . 1 . . . . 20 SER CB . 16698 1 179 . 1 1 27 27 SER N N 15 116.375 0.100 . 1 . . . . 20 SER N . 16698 1 180 . 1 1 28 28 SER H H 1 8.516 0.020 . 1 . . . . 21 SER H . 16698 1 181 . 1 1 28 28 SER HA H 1 4.540 0.020 . 1 . . . . 21 SER HA . 16698 1 182 . 1 1 28 28 SER HB2 H 1 3.930 0.020 . 2 . . . . 21 SER HB2 . 16698 1 183 . 1 1 28 28 SER C C 13 174.252 0.100 . 1 . . . . 21 SER C . 16698 1 184 . 1 1 28 28 SER CA C 13 59.770 0.100 . 1 . . . . 21 SER CA . 16698 1 185 . 1 1 28 28 SER CB C 13 65.010 0.100 . 1 . . . . 21 SER CB . 16698 1 186 . 1 1 28 28 SER N N 15 118.021 0.100 . 1 . . . . 21 SER N . 16698 1 187 . 1 1 29 29 SER H H 1 8.466 0.020 . 1 . . . . 22 SER H . 16698 1 188 . 1 1 29 29 SER HA H 1 4.540 0.020 . 1 . . . . 22 SER HA . 16698 1 189 . 1 1 29 29 SER HB2 H 1 3.920 0.020 . 2 . . . . 22 SER HB2 . 16698 1 190 . 1 1 29 29 SER C C 13 173.880 0.100 . 1 . . . . 22 SER C . 16698 1 191 . 1 1 29 29 SER CA C 13 59.610 0.100 . 1 . . . . 22 SER CA . 16698 1 192 . 1 1 29 29 SER CB C 13 65.180 0.100 . 1 . . . . 22 SER CB . 16698 1 193 . 1 1 29 29 SER N N 15 117.547 0.100 . 1 . . . . 22 SER N . 16698 1 194 . 1 1 30 30 ASP H H 1 8.458 0.020 . 1 . . . . 23 ASP H . 16698 1 195 . 1 1 30 30 ASP HA H 1 4.670 0.020 . 1 . . . . 23 ASP HA . 16698 1 196 . 1 1 30 30 ASP HB2 H 1 2.660 0.020 . 2 . . . . 23 ASP HB2 . 16698 1 197 . 1 1 30 30 ASP HB3 H 1 2.760 0.020 . 2 . . . . 23 ASP HB3 . 16698 1 198 . 1 1 30 30 ASP C C 13 175.863 0.100 . 1 . . . . 23 ASP C . 16698 1 199 . 1 1 30 30 ASP CA C 13 55.730 0.100 . 1 . . . . 23 ASP CA . 16698 1 200 . 1 1 30 30 ASP CB C 13 42.240 0.100 . 1 . . . . 23 ASP CB . 16698 1 201 . 1 1 30 30 ASP N N 15 122.400 0.100 . 1 . . . . 23 ASP N . 16698 1 202 . 1 1 31 31 GLU H H 1 8.386 0.020 . 1 . . . . 24 GLU H . 16698 1 203 . 1 1 31 31 GLU HA H 1 4.310 0.020 . 1 . . . . 24 GLU HA . 16698 1 204 . 1 1 31 31 GLU HB2 H 1 1.960 0.020 . 2 . . . . 24 GLU HB2 . 16698 1 205 . 1 1 31 31 GLU HB3 H 1 2.090 0.020 . 2 . . . . 24 GLU HB3 . 16698 1 206 . 1 1 31 31 GLU C C 13 176.090 0.100 . 1 . . . . 24 GLU C . 16698 1 207 . 1 1 31 31 GLU CA C 13 57.630 0.100 . 1 . . . . 24 GLU CA . 16698 1 208 . 1 1 31 31 GLU CB C 13 31.660 0.100 . 1 . . . . 24 GLU CB . 16698 1 209 . 1 1 31 31 GLU N N 15 120.578 0.100 . 1 . . . . 24 GLU N . 16698 1 210 . 1 1 32 32 GLU H H 1 8.496 0.020 . 1 . . . . 25 GLU H . 16698 1 211 . 1 1 32 32 GLU HA H 1 4.310 0.020 . 1 . . . . 25 GLU HA . 16698 1 212 . 1 1 32 32 GLU HB2 H 1 1.950 0.020 . 2 . . . . 25 GLU HB2 . 16698 1 213 . 1 1 32 32 GLU HB3 H 1 2.090 0.020 . 2 . . . . 25 GLU HB3 . 16698 1 214 . 1 1 32 32 GLU C C 13 176.120 0.100 . 1 . . . . 25 GLU C . 16698 1 215 . 1 1 32 32 GLU CA C 13 57.630 0.100 . 1 . . . . 25 GLU CA . 16698 1 216 . 1 1 32 32 GLU CB C 13 31.660 0.100 . 1 . . . . 25 GLU CB . 16698 1 217 . 1 1 32 32 GLU N N 15 121.800 0.100 . 1 . . . . 25 GLU N . 16698 1 218 . 1 1 33 33 GLU H H 1 8.478 0.020 . 1 . . . . 26 GLU H . 16698 1 219 . 1 1 33 33 GLU HA H 1 4.350 0.020 . 1 . . . . 26 GLU HA . 16698 1 220 . 1 1 33 33 GLU HB2 H 1 1.980 0.020 . 2 . . . . 26 GLU HB2 . 16698 1 221 . 1 1 33 33 GLU HB3 H 1 2.090 0.020 . 2 . . . . 26 GLU HB3 . 16698 1 222 . 1 1 33 33 GLU C C 13 176.100 0.100 . 1 . . . . 26 GLU C . 16698 1 223 . 1 1 33 33 GLU CA C 13 57.710 0.100 . 1 . . . . 26 GLU CA . 16698 1 224 . 1 1 33 33 GLU CB C 13 31.340 0.100 . 1 . . . . 26 GLU CB . 16698 1 225 . 1 1 33 33 GLU N N 15 121.713 0.100 . 1 . . . . 26 GLU N . 16698 1 226 . 1 1 34 34 SER H H 1 8.495 0.020 . 1 . . . . 27 SER H . 16698 1 227 . 1 1 34 34 SER HA H 1 4.490 0.020 . 1 . . . . 27 SER HA . 16698 1 228 . 1 1 34 34 SER HB2 H 1 3.890 0.020 . 2 . . . . 27 SER HB2 . 16698 1 229 . 1 1 34 34 SER C C 13 173.690 0.100 . 1 . . . . 27 SER C . 16698 1 230 . 1 1 34 34 SER CA C 13 59.470 0.100 . 1 . . . . 27 SER CA . 16698 1 231 . 1 1 34 34 SER CB C 13 65.180 0.100 . 1 . . . . 27 SER CB . 16698 1 232 . 1 1 34 34 SER N N 15 117.100 0.100 . 1 . . . . 27 SER N . 16698 1 233 . 1 1 35 35 ASP H H 1 8.512 0.020 . 1 . . . . 28 ASP H . 16698 1 234 . 1 1 35 35 ASP HA H 1 4.740 0.020 . 1 . . . . 28 ASP HA . 16698 1 235 . 1 1 35 35 ASP HB2 H 1 2.740 0.020 . 2 . . . . 28 ASP HB2 . 16698 1 236 . 1 1 35 35 ASP C C 13 176.104 0.100 . 1 . . . . 28 ASP C . 16698 1 237 . 1 1 35 35 ASP CA C 13 55.690 0.100 . 1 . . . . 28 ASP CA . 16698 1 238 . 1 1 35 35 ASP CB C 13 42.290 0.100 . 1 . . . . 28 ASP CB . 16698 1 239 . 1 1 35 35 ASP N N 15 122.522 0.100 . 1 . . . . 28 ASP N . 16698 1 240 . 1 1 36 36 THR H H 1 8.216 0.020 . 1 . . . . 29 THR H . 16698 1 241 . 1 1 36 36 THR HA H 1 4.350 0.020 . 1 . . . . 29 THR HA . 16698 1 242 . 1 1 36 36 THR HB H 1 4.350 0.020 . 1 . . . . 29 THR HB . 16698 1 243 . 1 1 36 36 THR C C 13 174.206 0.100 . 1 . . . . 29 THR C . 16698 1 244 . 1 1 36 36 THR CA C 13 62.930 0.100 . 1 . . . . 29 THR CA . 16698 1 245 . 1 1 36 36 THR CB C 13 70.810 0.100 . 1 . . . . 29 THR CB . 16698 1 246 . 1 1 36 36 THR N N 15 113.703 0.100 . 1 . . . . 29 THR N . 16698 1 247 . 1 1 37 37 SER H H 1 8.396 0.020 . 1 . . . . 30 SER H . 16698 1 248 . 1 1 37 37 SER HA H 1 4.760 0.020 . 1 . . . . 30 SER HA . 16698 1 249 . 1 1 37 37 SER HB2 H 1 3.930 0.020 . 2 . . . . 30 SER HB2 . 16698 1 250 . 1 1 37 37 SER C C 13 172.226 0.100 . 1 . . . . 30 SER C . 16698 1 251 . 1 1 37 37 SER CA C 13 58.220 0.100 . 1 . . . . 30 SER CA . 16698 1 252 . 1 1 37 37 SER CB C 13 64.250 0.100 . 1 . . . . 30 SER CB . 16698 1 253 . 1 1 37 37 SER N N 15 119.680 0.100 . 1 . . . . 30 SER N . 16698 1 254 . 1 1 38 38 PRO HA H 1 4.470 0.020 . 1 . . . . 31 PRO HA . 16698 1 255 . 1 1 38 38 PRO HB2 H 1 2.320 0.020 . 2 . . . . 31 PRO HB2 . 16698 1 256 . 1 1 38 38 PRO C C 13 176.469 0.100 . 1 . . . . 31 PRO C . 16698 1 257 . 1 1 38 38 PRO CA C 13 64.520 0.100 . 1 . . . . 31 PRO CA . 16698 1 258 . 1 1 38 38 PRO CB C 13 33.130 0.100 . 1 . . . . 31 PRO CB . 16698 1 259 . 1 1 38 38 PRO N N 15 137.669 0.100 . 1 . . . . 31 PRO N . 16698 1 260 . 1 1 39 39 GLN H H 1 8.553 0.020 . 1 . . . . 32 GLN H . 16698 1 261 . 1 1 39 39 GLN HA H 1 4.330 0.020 . 1 . . . . 32 GLN HA . 16698 1 262 . 1 1 39 39 GLN HB2 H 1 2.010 0.020 . 2 . . . . 32 GLN HB2 . 16698 1 263 . 1 1 39 39 GLN HB3 H 1 2.100 0.020 . 2 . . . . 32 GLN HB3 . 16698 1 264 . 1 1 39 39 GLN C C 13 175.547 0.100 . 1 . . . . 32 GLN C . 16698 1 265 . 1 1 39 39 GLN CA C 13 57.010 0.100 . 1 . . . . 32 GLN CA . 16698 1 266 . 1 1 39 39 GLN CB C 13 30.580 0.100 . 1 . . . . 32 GLN CB . 16698 1 267 . 1 1 39 39 GLN N N 15 120.438 0.100 . 1 . . . . 32 GLN N . 16698 1 268 . 1 1 40 40 ILE H H 1 8.255 0.020 . 1 . . . . 33 ILE H . 16698 1 269 . 1 1 40 40 ILE HA H 1 4.170 0.020 . 1 . . . . 33 ILE HA . 16698 1 270 . 1 1 40 40 ILE HB H 1 1.880 0.020 . 1 . . . . 33 ILE HB . 16698 1 271 . 1 1 40 40 ILE C C 13 175.732 0.100 . 1 . . . . 33 ILE C . 16698 1 272 . 1 1 40 40 ILE CA C 13 62.150 0.100 . 1 . . . . 33 ILE CA . 16698 1 273 . 1 1 40 40 ILE CB C 13 39.600 0.100 . 1 . . . . 33 ILE CB . 16698 1 274 . 1 1 40 40 ILE N N 15 122.366 0.100 . 1 . . . . 33 ILE N . 16698 1 275 . 1 1 41 41 MET H H 1 8.562 0.020 . 1 . . . . 34 MET H . 16698 1 276 . 1 1 41 41 MET HA H 1 4.540 0.020 . 1 . . . . 34 MET HA . 16698 1 277 . 1 1 41 41 MET HB2 H 1 2.060 0.020 . 2 . . . . 34 MET HB2 . 16698 1 278 . 1 1 41 41 MET C C 13 175.595 0.100 . 1 . . . . 34 MET C . 16698 1 279 . 1 1 41 41 MET CA C 13 56.360 0.100 . 1 . . . . 34 MET CA . 16698 1 280 . 1 1 41 41 MET CB C 13 33.860 0.100 . 1 . . . . 34 MET CB . 16698 1 281 . 1 1 41 41 MET N N 15 124.836 0.100 . 1 . . . . 34 MET N . 16698 1 282 . 1 1 42 42 LYS H H 1 8.490 0.020 . 1 . . . . 35 LYS H . 16698 1 283 . 1 1 42 42 LYS HA H 1 4.340 0.020 . 1 . . . . 35 LYS HA . 16698 1 284 . 1 1 42 42 LYS HB2 H 1 1.800 0.020 . 2 . . . . 35 LYS HB2 . 16698 1 285 . 1 1 42 42 LYS HB3 H 1 1.860 0.020 . 2 . . . . 35 LYS HB3 . 16698 1 286 . 1 1 42 42 LYS C C 13 176.038 0.100 . 1 . . . . 35 LYS C . 16698 1 287 . 1 1 42 42 LYS CA C 13 57.620 0.100 . 1 . . . . 35 LYS CA . 16698 1 288 . 1 1 42 42 LYS CB C 13 34.290 0.100 . 1 . . . . 35 LYS CB . 16698 1 289 . 1 1 42 42 LYS N N 15 123.448 0.100 . 1 . . . . 35 LYS N . 16698 1 290 . 1 1 43 43 SER H H 1 8.466 0.020 . 1 . . . . 36 SER H . 16698 1 291 . 1 1 43 43 SER HA H 1 4.490 0.020 . 1 . . . . 36 SER HA . 16698 1 292 . 1 1 43 43 SER HB2 H 1 3.890 0.020 . 2 . . . . 36 SER HB2 . 16698 1 293 . 1 1 43 43 SER C C 13 173.906 0.100 . 1 . . . . 36 SER C . 16698 1 294 . 1 1 43 43 SER CA C 13 59.760 0.100 . 1 . . . . 36 SER CA . 16698 1 295 . 1 1 43 43 SER CB C 13 65.340 0.100 . 1 . . . . 36 SER CB . 16698 1 296 . 1 1 43 43 SER N N 15 116.971 0.100 . 1 . . . . 36 SER N . 16698 1 297 . 1 1 44 44 ASP H H 1 8.590 0.020 . 1 . . . . 37 ASP H . 16698 1 298 . 1 1 44 44 ASP HA H 1 4.690 0.020 . 1 . . . . 37 ASP HA . 16698 1 299 . 1 1 44 44 ASP HB2 H 1 2.700 0.020 . 2 . . . . 37 ASP HB2 . 16698 1 300 . 1 1 44 44 ASP HB3 H 1 2.750 0.020 . 2 . . . . 37 ASP HB3 . 16698 1 301 . 1 1 44 44 ASP C C 13 176.014 0.100 . 1 . . . . 37 ASP C . 16698 1 302 . 1 1 44 44 ASP CA C 13 55.540 0.100 . 1 . . . . 37 ASP CA . 16698 1 303 . 1 1 44 44 ASP CB C 13 42.220 0.100 . 1 . . . . 37 ASP CB . 16698 1 304 . 1 1 44 44 ASP N N 15 122.398 0.100 . 1 . . . . 37 ASP N . 16698 1 305 . 1 1 45 45 VAL H H 1 8.184 0.020 . 1 . . . . 38 VAL H . 16698 1 306 . 1 1 45 45 VAL HA H 1 4.220 0.020 . 1 . . . . 38 VAL HA . 16698 1 307 . 1 1 45 45 VAL HB H 1 2.180 0.020 . 1 . . . . 38 VAL HB . 16698 1 308 . 1 1 45 45 VAL C C 13 176.089 0.100 . 1 . . . . 38 VAL C . 16698 1 309 . 1 1 45 45 VAL CA C 13 63.640 0.100 . 1 . . . . 38 VAL CA . 16698 1 310 . 1 1 45 45 VAL CB C 13 33.580 0.100 . 1 . . . . 38 VAL CB . 16698 1 311 . 1 1 45 45 VAL N N 15 119.791 0.100 . 1 . . . . 38 VAL N . 16698 1 312 . 1 1 46 46 THR H H 1 8.380 0.020 . 1 . . . . 39 THR H . 16698 1 313 . 1 1 46 46 THR HA H 1 4.350 0.020 . 1 . . . . 39 THR HA . 16698 1 314 . 1 1 46 46 THR HB H 1 4.220 0.020 . 1 . . . . 39 THR HB . 16698 1 315 . 1 1 46 46 THR C C 13 174.090 0.100 . 1 . . . . 39 THR C . 16698 1 316 . 1 1 46 46 THR CA C 13 63.550 0.100 . 1 . . . . 39 THR CA . 16698 1 317 . 1 1 46 46 THR CB C 13 70.890 0.100 . 1 . . . . 39 THR CB . 16698 1 318 . 1 1 46 46 THR N N 15 117.650 0.100 . 1 . . . . 39 THR N . 16698 1 319 . 1 1 47 47 MET H H 1 8.390 0.020 . 1 . . . . 40 MET H . 16698 1 320 . 1 1 47 47 MET HA H 1 4.520 0.020 . 1 . . . . 40 MET HA . 16698 1 321 . 1 1 47 47 MET HB2 H 1 2.040 0.020 . 2 . . . . 40 MET HB2 . 16698 1 322 . 1 1 47 47 MET HB3 H 1 2.130 0.020 . 2 . . . . 40 MET HB3 . 16698 1 323 . 1 1 47 47 MET C C 13 175.173 0.100 . 1 . . . . 40 MET C . 16698 1 324 . 1 1 47 47 MET CA C 13 56.400 0.100 . 1 . . . . 40 MET CA . 16698 1 325 . 1 1 47 47 MET CB C 13 34.100 0.100 . 1 . . . . 40 MET CB . 16698 1 326 . 1 1 47 47 MET N N 15 122.900 0.100 . 1 . . . . 40 MET N . 16698 1 327 . 1 1 48 48 ALA H H 1 8.375 0.020 . 1 . . . . 41 ALA H . 16698 1 328 . 1 1 48 48 ALA HA H 1 4.380 0.020 . 1 . . . . 41 ALA HA . 16698 1 329 . 1 1 48 48 ALA HB1 H 1 1.410 0.020 . 1 . . . . 41 ALA HB . 16698 1 330 . 1 1 48 48 ALA HB2 H 1 1.410 0.020 . 1 . . . . 41 ALA HB . 16698 1 331 . 1 1 48 48 ALA HB3 H 1 1.410 0.020 . 1 . . . . 41 ALA HB . 16698 1 332 . 1 1 48 48 ALA C C 13 177.047 0.100 . 1 . . . . 41 ALA C . 16698 1 333 . 1 1 48 48 ALA CA C 13 53.550 0.100 . 1 . . . . 41 ALA CA . 16698 1 334 . 1 1 48 48 ALA CB C 13 20.410 0.100 . 1 . . . . 41 ALA CB . 16698 1 335 . 1 1 48 48 ALA N N 15 125.384 0.100 . 1 . . . . 41 ALA N . 16698 1 336 . 1 1 49 49 SER H H 1 8.401 0.020 . 1 . . . . 42 SER H . 16698 1 337 . 1 1 49 49 SER HA H 1 4.770 0.020 . 1 . . . . 42 SER HA . 16698 1 338 . 1 1 49 49 SER HB2 H 1 3.880 0.020 . 2 . . . . 42 SER HB2 . 16698 1 339 . 1 1 49 49 SER C C 13 171.477 0.100 . 1 . . . . 42 SER C . 16698 1 340 . 1 1 49 49 SER CA C 13 57.780 0.100 . 1 . . . . 42 SER CA . 16698 1 341 . 1 1 49 49 SER CB C 13 64.250 0.100 . 1 . . . . 42 SER CB . 16698 1 342 . 1 1 49 49 SER N N 15 116.807 0.100 . 1 . . . . 42 SER N . 16698 1 343 . 1 1 50 50 PRO C C 13 174.270 0.100 . 1 . . . . 43 PRO C . 16698 1 344 . 1 1 50 50 PRO CA C 13 62.630 0.100 . 1 . . . . 43 PRO CA . 16698 1 345 . 1 1 50 50 PRO CB C 13 31.830 0.100 . 1 . . . . 43 PRO CB . 16698 1 346 . 1 1 50 50 PRO N N 15 138.990 0.100 . 1 . . . . 43 PRO N . 16698 1 347 . 1 1 51 51 PRO HA H 1 4.510 0.020 . 1 . . . . 44 PRO HA . 16698 1 348 . 1 1 51 51 PRO HB2 H 1 1.990 0.020 . 2 . . . . 44 PRO HB2 . 16698 1 349 . 1 1 51 51 PRO HB3 H 1 2.350 0.020 . 2 . . . . 44 PRO HB3 . 16698 1 350 . 1 1 51 51 PRO C C 13 176.466 0.100 . 1 . . . . 44 PRO C . 16698 1 351 . 1 1 51 51 PRO CA C 13 64.030 0.100 . 1 . . . . 44 PRO CA . 16698 1 352 . 1 1 51 51 PRO CB C 13 33.120 0.100 . 1 . . . . 44 PRO CB . 16698 1 353 . 1 1 51 51 PRO N N 15 135.608 0.100 . 1 . . . . 44 PRO N . 16698 1 354 . 1 1 52 52 SER H H 1 8.558 0.020 . 1 . . . . 45 SER H . 16698 1 355 . 1 1 52 52 SER HA H 1 4.500 0.020 . 1 . . . . 45 SER HA . 16698 1 356 . 1 1 52 52 SER HB2 H 1 3.900 0.020 . 2 . . . . 45 SER HB2 . 16698 1 357 . 1 1 52 52 SER C C 13 173.916 0.100 . 1 . . . . 45 SER C . 16698 1 358 . 1 1 52 52 SER CA C 13 59.550 0.100 . 1 . . . . 45 SER CA . 16698 1 359 . 1 1 52 52 SER CB C 13 64.910 0.100 . 1 . . . . 45 SER CB . 16698 1 360 . 1 1 52 52 SER N N 15 116.246 0.100 . 1 . . . . 45 SER N . 16698 1 361 . 1 1 53 53 THR H H 1 8.286 0.020 . 1 . . . . 46 THR H . 16698 1 362 . 1 1 53 53 THR HA H 1 4.660 0.020 . 1 . . . . 46 THR HA . 16698 1 363 . 1 1 53 53 THR HB H 1 4.190 0.020 . 1 . . . . 46 THR HB . 16698 1 364 . 1 1 53 53 THR C C 13 172.209 0.100 . 1 . . . . 46 THR C . 16698 1 365 . 1 1 53 53 THR CA C 13 60.810 0.100 . 1 . . . . 46 THR CA . 16698 1 366 . 1 1 53 53 THR CB C 13 70.930 0.100 . 1 . . . . 46 THR CB . 16698 1 367 . 1 1 53 53 THR N N 15 118.154 0.100 . 1 . . . . 46 THR N . 16698 1 368 . 1 1 54 54 PRO HA H 1 4.460 0.020 . 1 . . . . 47 PRO HA . 16698 1 369 . 1 1 54 54 PRO HB2 H 1 1.910 0.020 . 2 . . . . 47 PRO HB2 . 16698 1 370 . 1 1 54 54 PRO HB3 H 1 2.320 0.020 . 2 . . . . 47 PRO HB3 . 16698 1 371 . 1 1 54 54 PRO C C 13 176.238 0.100 . 1 . . . . 47 PRO C . 16698 1 372 . 1 1 54 54 PRO CA C 13 64.130 0.100 . 1 . . . . 47 PRO CA . 16698 1 373 . 1 1 54 54 PRO CB C 13 33.010 0.100 . 1 . . . . 47 PRO CB . 16698 1 374 . 1 1 54 54 PRO N N 15 138.494 0.100 . 1 . . . . 47 PRO N . 16698 1 375 . 1 1 55 55 GLU H H 1 8.590 0.020 . 1 . . . . 48 GLU H . 16698 1 376 . 1 1 55 55 GLU HA H 1 4.560 0.020 . 1 . . . . 48 GLU HA . 16698 1 377 . 1 1 55 55 GLU HB2 H 1 1.940 0.020 . 2 . . . . 48 GLU HB2 . 16698 1 378 . 1 1 55 55 GLU HB3 H 1 2.370 0.020 . 2 . . . . 48 GLU HB3 . 16698 1 379 . 1 1 55 55 GLU C C 13 174.125 0.100 . 1 . . . . 48 GLU C . 16698 1 380 . 1 1 55 55 GLU CA C 13 55.670 0.100 . 1 . . . . 48 GLU CA . 16698 1 381 . 1 1 55 55 GLU CB C 13 30.660 0.100 . 1 . . . . 48 GLU CB . 16698 1 382 . 1 1 55 55 GLU N N 15 122.827 0.100 . 1 . . . . 48 GLU N . 16698 1 383 . 1 1 56 56 PRO HA H 1 4.470 0.020 . 1 . . . . 49 PRO HA . 16698 1 384 . 1 1 56 56 PRO HB2 H 1 1.930 0.020 . 2 . . . . 49 PRO HB2 . 16698 1 385 . 1 1 56 56 PRO HB3 H 1 2.310 0.020 . 2 . . . . 49 PRO HB3 . 16698 1 386 . 1 1 56 56 PRO C C 13 176.227 0.100 . 1 . . . . 49 PRO C . 16698 1 387 . 1 1 56 56 PRO CA C 13 63.970 0.100 . 1 . . . . 49 PRO CA . 16698 1 388 . 1 1 56 56 PRO CB C 13 33.230 0.100 . 1 . . . . 49 PRO CB . 16698 1 389 . 1 1 56 56 PRO N N 15 137.222 0.100 . 1 . . . . 49 PRO N . 16698 1 390 . 1 1 57 57 SER H H 1 8.597 0.020 . 1 . . . . 50 SER H . 16698 1 391 . 1 1 57 57 SER HA H 1 4.780 0.020 . 1 . . . . 50 SER HA . 16698 1 392 . 1 1 57 57 SER HB2 H 1 3.930 0.020 . 2 . . . . 50 SER HB2 . 16698 1 393 . 1 1 57 57 SER C C 13 172.691 0.100 . 1 . . . . 50 SER C . 16698 1 394 . 1 1 57 57 SER CA C 13 57.530 0.100 . 1 . . . . 50 SER CA . 16698 1 395 . 1 1 57 57 SER CB C 13 64.450 0.100 . 1 . . . . 50 SER CB . 16698 1 396 . 1 1 57 57 SER N N 15 117.643 0.100 . 1 . . . . 50 SER N . 16698 1 397 . 1 1 58 58 PRO HA H 1 4.470 0.020 . 1 . . . . 51 PRO HA . 16698 1 398 . 1 1 58 58 PRO HB2 H 1 1.950 0.020 . 2 . . . . 51 PRO HB2 . 16698 1 399 . 1 1 58 58 PRO HB3 H 1 2.310 0.020 . 2 . . . . 51 PRO HB3 . 16698 1 400 . 1 1 58 58 PRO C C 13 176.128 0.100 . 1 . . . . 51 PRO C . 16698 1 401 . 1 1 58 58 PRO CA C 13 64.410 0.100 . 1 . . . . 51 PRO CA . 16698 1 402 . 1 1 58 58 PRO CB C 13 33.170 0.100 . 1 . . . . 51 PRO CB . 16698 1 403 . 1 1 58 58 PRO N N 15 137.659 0.100 . 1 . . . . 51 PRO N . 16698 1 404 . 1 1 59 59 ASP H H 1 8.458 0.020 . 1 . . . . 52 ASP H . 16698 1 405 . 1 1 59 59 ASP HA H 1 4.640 0.020 . 1 . . . . 52 ASP HA . 16698 1 406 . 1 1 59 59 ASP HB2 H 1 2.620 0.020 . 2 . . . . 52 ASP HB2 . 16698 1 407 . 1 1 59 59 ASP HB3 H 1 2.770 0.020 . 2 . . . . 52 ASP HB3 . 16698 1 408 . 1 1 59 59 ASP C C 13 176.288 0.100 . 1 . . . . 52 ASP C . 16698 1 409 . 1 1 59 59 ASP CA C 13 55.510 0.100 . 1 . . . . 52 ASP CA . 16698 1 410 . 1 1 59 59 ASP CB C 13 42.070 0.100 . 1 . . . . 52 ASP CB . 16698 1 411 . 1 1 59 59 ASP N N 15 120.013 0.100 . 1 . . . . 52 ASP N . 16698 1 412 . 1 1 60 60 VAL H H 1 8.193 0.020 . 1 . . . . 53 VAL H . 16698 1 413 . 1 1 60 60 VAL HA H 1 4.220 0.020 . 1 . . . . 53 VAL HA . 16698 1 414 . 1 1 60 60 VAL HB H 1 2.220 0.020 . 1 . . . . 53 VAL HB . 16698 1 415 . 1 1 60 60 VAL C C 13 176.169 0.100 . 1 . . . . 53 VAL C . 16698 1 416 . 1 1 60 60 VAL CA C 13 63.650 0.100 . 1 . . . . 53 VAL CA . 16698 1 417 . 1 1 60 60 VAL CB C 13 33.390 0.100 . 1 . . . . 53 VAL CB . 16698 1 418 . 1 1 60 60 VAL N N 15 120.519 0.100 . 1 . . . . 53 VAL N . 16698 1 419 . 1 1 61 61 SER H H 1 8.481 0.020 . 1 . . . . 54 SER H . 16698 1 420 . 1 1 61 61 SER HA H 1 4.450 0.020 . 1 . . . . 54 SER HA . 16698 1 421 . 1 1 61 61 SER HB2 H 1 3.940 0.020 . 2 . . . . 54 SER HB2 . 16698 1 422 . 1 1 61 61 SER C C 13 174.244 0.100 . 1 . . . . 54 SER C . 16698 1 423 . 1 1 61 61 SER CA C 13 59.800 0.100 . 1 . . . . 54 SER CA . 16698 1 424 . 1 1 61 61 SER CB C 13 64.860 0.100 . 1 . . . . 54 SER CB . 16698 1 425 . 1 1 61 61 SER N N 15 118.859 0.100 . 1 . . . . 54 SER N . 16698 1 426 . 1 1 62 62 ALA H H 1 8.377 0.020 . 1 . . . . 55 ALA H . 16698 1 427 . 1 1 62 62 ALA HA H 1 4.390 0.020 . 1 . . . . 55 ALA HA . 16698 1 428 . 1 1 62 62 ALA HB1 H 1 1.470 0.020 . 1 . . . . 55 ALA HB . 16698 1 429 . 1 1 62 62 ALA HB2 H 1 1.470 0.020 . 1 . . . . 55 ALA HB . 16698 1 430 . 1 1 62 62 ALA HB3 H 1 1.470 0.020 . 1 . . . . 55 ALA HB . 16698 1 431 . 1 1 62 62 ALA C C 13 177.674 0.100 . 1 . . . . 55 ALA C . 16698 1 432 . 1 1 62 62 ALA CA C 13 54.190 0.100 . 1 . . . . 55 ALA CA . 16698 1 433 . 1 1 62 62 ALA CB C 13 20.160 0.100 . 1 . . . . 55 ALA CB . 16698 1 434 . 1 1 62 62 ALA N N 15 125.609 0.100 . 1 . . . . 55 ALA N . 16698 1 435 . 1 1 63 63 SER H H 1 8.349 0.020 . 1 . . . . 56 SER H . 16698 1 436 . 1 1 63 63 SER HA H 1 4.520 0.020 . 1 . . . . 56 SER HA . 16698 1 437 . 1 1 63 63 SER HB2 H 1 3.960 0.020 . 2 . . . . 56 SER HB2 . 16698 1 438 . 1 1 63 63 SER C C 13 174.912 0.100 . 1 . . . . 56 SER C . 16698 1 439 . 1 1 63 63 SER CA C 13 59.880 0.100 . 1 . . . . 56 SER CA . 16698 1 440 . 1 1 63 63 SER CB C 13 64.770 0.100 . 1 . . . . 56 SER CB . 16698 1 441 . 1 1 63 63 SER N N 15 114.367 0.100 . 1 . . . . 56 SER N . 16698 1 442 . 1 1 64 64 THR H H 1 8.221 0.020 . 1 . . . . 57 THR H . 16698 1 443 . 1 1 64 64 THR HA H 1 4.390 0.020 . 1 . . . . 57 THR HA . 16698 1 444 . 1 1 64 64 THR HG21 H 1 1.270 0.020 . 1 . . . . 57 THR HG . 16698 1 445 . 1 1 64 64 THR HG22 H 1 1.270 0.020 . 1 . . . . 57 THR HG . 16698 1 446 . 1 1 64 64 THR HG23 H 1 1.270 0.020 . 1 . . . . 57 THR HG . 16698 1 447 . 1 1 64 64 THR C C 13 174.587 0.100 . 1 . . . . 57 THR C . 16698 1 448 . 1 1 64 64 THR CA C 13 63.640 0.100 . 1 . . . . 57 THR CA . 16698 1 449 . 1 1 64 64 THR CB C 13 70.530 0.100 . 1 . . . . 57 THR CB . 16698 1 450 . 1 1 64 64 THR N N 15 115.198 0.100 . 1 . . . . 57 THR N . 16698 1 451 . 1 1 65 65 SER H H 1 8.329 0.020 . 1 . . . . 58 SER H . 16698 1 452 . 1 1 65 65 SER HA H 1 4.450 0.020 . 1 . . . . 58 SER HA . 16698 1 453 . 1 1 65 65 SER HB2 H 1 3.920 0.020 . 2 . . . . 58 SER HB2 . 16698 1 454 . 1 1 65 65 SER C C 13 174.158 0.100 . 1 . . . . 58 SER C . 16698 1 455 . 1 1 65 65 SER CA C 13 60.090 0.100 . 1 . . . . 58 SER CA . 16698 1 456 . 1 1 65 65 SER CB C 13 64.840 0.100 . 1 . . . . 58 SER CB . 16698 1 457 . 1 1 65 65 SER N N 15 117.482 0.100 . 1 . . . . 58 SER N . 16698 1 458 . 1 1 66 66 ASN H H 1 8.527 0.020 . 1 . . . . 59 ASN H . 16698 1 459 . 1 1 66 66 ASN HA H 1 4.720 0.020 . 1 . . . . 59 ASN HA . 16698 1 460 . 1 1 66 66 ASN HB2 H 1 2.800 0.020 . 2 . . . . 59 ASN HB2 . 16698 1 461 . 1 1 66 66 ASN HB3 H 1 2.880 0.020 . 2 . . . . 59 ASN HB3 . 16698 1 462 . 1 1 66 66 ASN C C 13 174.958 0.100 . 1 . . . . 59 ASN C . 16698 1 463 . 1 1 66 66 ASN CA C 13 54.750 0.100 . 1 . . . . 59 ASN CA . 16698 1 464 . 1 1 66 66 ASN CB C 13 39.770 0.100 . 1 . . . . 59 ASN CB . 16698 1 465 . 1 1 66 66 ASN N N 15 120.659 0.100 . 1 . . . . 59 ASN N . 16698 1 466 . 1 1 67 67 LEU H H 1 8.151 0.020 . 1 . . . . 60 LEU H . 16698 1 467 . 1 1 67 67 LEU HA H 1 4.290 0.020 . 1 . . . . 60 LEU HA . 16698 1 468 . 1 1 67 67 LEU HB2 H 1 1.600 0.020 . 2 . . . . 60 LEU HB2 . 16698 1 469 . 1 1 67 67 LEU HB3 H 1 1.680 0.020 . 2 . . . . 60 LEU HB3 . 16698 1 470 . 1 1 67 67 LEU C C 13 177.148 0.100 . 1 . . . . 60 LEU C . 16698 1 471 . 1 1 67 67 LEU CA C 13 56.860 0.100 . 1 . . . . 60 LEU CA . 16698 1 472 . 1 1 67 67 LEU CB C 13 43.290 0.100 . 1 . . . . 60 LEU CB . 16698 1 473 . 1 1 67 67 LEU N N 15 121.685 0.100 . 1 . . . . 60 LEU N . 16698 1 474 . 1 1 68 68 LYS H H 1 8.298 0.020 . 1 . . . . 61 LYS H . 16698 1 475 . 1 1 68 68 LYS HA H 1 4.290 0.020 . 1 . . . . 61 LYS HA . 16698 1 476 . 1 1 68 68 LYS HB2 H 1 1.850 0.020 . 2 . . . . 61 LYS HB2 . 16698 1 477 . 1 1 68 68 LYS C C 13 176.360 0.100 . 1 . . . . 61 LYS C . 16698 1 478 . 1 1 68 68 LYS CA C 13 57.870 0.100 . 1 . . . . 61 LYS CA . 16698 1 479 . 1 1 68 68 LYS CB C 13 33.640 0.100 . 1 . . . . 61 LYS CB . 16698 1 480 . 1 1 68 68 LYS N N 15 121.261 0.100 . 1 . . . . 61 LYS N . 16698 1 481 . 1 1 69 69 ARG H H 1 8.305 0.020 . 1 . . . . 62 ARG H . 16698 1 482 . 1 1 69 69 ARG HA H 1 4.310 0.020 . 1 . . . . 62 ARG HA . 16698 1 483 . 1 1 69 69 ARG HB2 H 1 1.930 0.020 . 2 . . . . 62 ARG HB2 . 16698 1 484 . 1 1 69 69 ARG HB3 H 1 2.090 0.020 . 2 . . . . 62 ARG HB3 . 16698 1 485 . 1 1 69 69 ARG C C 13 175.990 0.100 . 1 . . . . 62 ARG C . 16698 1 486 . 1 1 69 69 ARG CA C 13 57.700 0.100 . 1 . . . . 62 ARG CA . 16698 1 487 . 1 1 69 69 ARG CB C 13 31.620 0.100 . 1 . . . . 62 ARG CB . 16698 1 488 . 1 1 69 69 ARG N N 15 121.773 0.100 . 1 . . . . 62 ARG N . 16698 1 489 . 1 1 70 70 GLU H H 1 8.470 0.020 . 1 . . . . 63 GLU H . 16698 1 490 . 1 1 70 70 GLU HA H 1 4.350 0.020 . 1 . . . . 63 GLU HA . 16698 1 491 . 1 1 70 70 GLU HB2 H 1 2.040 0.020 . 2 . . . . 63 GLU HB2 . 16698 1 492 . 1 1 70 70 GLU HB3 H 1 2.140 0.020 . 2 . . . . 63 GLU HB3 . 16698 1 493 . 1 1 70 70 GLU C C 13 175.490 0.100 . 1 . . . . 63 GLU C . 16698 1 494 . 1 1 70 70 GLU CA C 13 57.170 0.100 . 1 . . . . 63 GLU CA . 16698 1 495 . 1 1 70 70 GLU CB C 13 30.410 0.100 . 1 . . . . 63 GLU CB . 16698 1 496 . 1 1 70 70 GLU N N 15 121.319 0.100 . 1 . . . . 63 GLU N . 16698 1 497 . 1 1 71 71 ARG H H 1 8.501 0.020 . 1 . . . . 64 ARG H . 16698 1 498 . 1 1 71 71 ARG HA H 1 4.320 0.020 . 1 . . . . 64 ARG HA . 16698 1 499 . 1 1 71 71 ARG HB2 H 1 1.840 0.020 . 2 . . . . 64 ARG HB2 . 16698 1 500 . 1 1 71 71 ARG C C 13 176.170 0.100 . 1 . . . . 64 ARG C . 16698 1 501 . 1 1 71 71 ARG CA C 13 57.580 0.100 . 1 . . . . 64 ARG CA . 16698 1 502 . 1 1 71 71 ARG CB C 13 31.700 0.100 . 1 . . . . 64 ARG CB . 16698 1 503 . 1 1 71 71 ARG N N 15 122.483 0.100 . 1 . . . . 64 ARG N . 16698 1 504 . 1 1 72 72 GLN H H 1 8.533 0.020 . 1 . . . . 65 GLN H . 16698 1 505 . 1 1 72 72 GLN HA H 1 4.310 0.020 . 1 . . . . 65 GLN HA . 16698 1 506 . 1 1 72 72 GLN HB2 H 1 1.990 0.020 . 2 . . . . 65 GLN HB2 . 16698 1 507 . 1 1 72 72 GLN HB3 H 1 2.080 0.020 . 2 . . . . 65 GLN HB3 . 16698 1 508 . 1 1 72 72 GLN C C 13 176.167 0.100 . 1 . . . . 65 GLN C . 16698 1 509 . 1 1 72 72 GLN CA C 13 57.700 0.100 . 1 . . . . 65 GLN CA . 16698 1 510 . 1 1 72 72 GLN CB C 13 31.660 0.100 . 1 . . . . 65 GLN CB . 16698 1 511 . 1 1 72 72 GLN N N 15 121.800 0.100 . 1 . . . . 65 GLN N . 16698 1 512 . 1 1 73 73 ARG H H 1 8.575 0.020 . 1 . . . . 66 ARG H . 16698 1 513 . 1 1 73 73 ARG HA H 1 4.410 0.020 . 1 . . . . 66 ARG HA . 16698 1 514 . 1 1 73 73 ARG HB2 H 1 1.800 0.020 . 2 . . . . 66 ARG HB2 . 16698 1 515 . 1 1 73 73 ARG HB3 H 1 1.910 0.020 . 2 . . . . 66 ARG HB3 . 16698 1 516 . 1 1 73 73 ARG C C 13 176.047 0.100 . 1 . . . . 66 ARG C . 16698 1 517 . 1 1 73 73 ARG CA C 13 57.540 0.100 . 1 . . . . 66 ARG CA . 16698 1 518 . 1 1 73 73 ARG CB C 13 31.660 0.100 . 1 . . . . 66 ARG CB . 16698 1 519 . 1 1 73 73 ARG N N 15 122.230 0.100 . 1 . . . . 66 ARG N . 16698 1 520 . 1 1 74 74 SER H H 1 8.433 0.020 . 1 . . . . 67 SER H . 16698 1 521 . 1 1 74 74 SER HA H 1 4.520 0.020 . 1 . . . . 67 SER HA . 16698 1 522 . 1 1 74 74 SER HB2 H 1 3.930 0.020 . 2 . . . . 67 SER HB2 . 16698 1 523 . 1 1 74 74 SER C C 13 174.090 0.100 . 1 . . . . 67 SER C . 16698 1 524 . 1 1 74 74 SER CA C 13 59.690 0.100 . 1 . . . . 67 SER CA . 16698 1 525 . 1 1 74 74 SER N N 15 116.326 0.100 . 1 . . . . 67 SER N . 16698 1 526 . 1 1 75 75 PRO HA H 1 4.420 0.020 . 1 . . . . 68 PRO HA . 16698 1 527 . 1 1 75 75 PRO HB2 H 1 1.890 0.020 . 2 . . . . 68 PRO HB2 . 16698 1 528 . 1 1 75 75 PRO HB3 H 1 2.280 0.020 . 2 . . . . 68 PRO HB3 . 16698 1 529 . 1 1 75 75 PRO C C 13 176.290 0.100 . 1 . . . . 68 PRO C . 16698 1 530 . 1 1 75 75 PRO CA C 13 64.480 0.100 . 1 . . . . 68 PRO CA . 16698 1 531 . 1 1 75 75 PRO CB C 13 33.120 0.100 . 1 . . . . 68 PRO CB . 16698 1 532 . 1 1 76 76 ILE H H 1 8.260 0.020 . 1 . . . . 69 ILE H . 16698 1 533 . 1 1 76 76 ILE HA H 1 4.110 0.020 . 1 . . . . 69 ILE HA . 16698 1 534 . 1 1 76 76 ILE HB H 1 1.760 0.020 . 1 . . . . 69 ILE HB . 16698 1 535 . 1 1 76 76 ILE C C 13 175.990 0.100 . 1 . . . . 69 ILE C . 16698 1 536 . 1 1 76 76 ILE CA C 13 62.450 0.100 . 1 . . . . 69 ILE CA . 16698 1 537 . 1 1 76 76 ILE CB C 13 39.450 0.100 . 1 . . . . 69 ILE CB . 16698 1 538 . 1 1 76 76 ILE N N 15 120.600 0.100 . 1 . . . . 69 ILE N . 16698 1 539 . 1 1 77 77 THR H H 1 8.080 0.020 . 1 . . . . 70 THR H . 16698 1 540 . 1 1 77 77 THR HA H 1 4.560 0.020 . 1 . . . . 70 THR HA . 16698 1 541 . 1 1 77 77 THR HB H 1 4.210 0.020 . 1 . . . . 70 THR HB . 16698 1 542 . 1 1 77 77 THR C C 13 173.790 0.100 . 1 . . . . 70 THR C . 16698 1 543 . 1 1 77 77 THR CA C 13 62.690 0.100 . 1 . . . . 70 THR CA . 16698 1 544 . 1 1 77 77 THR CB C 13 71.090 0.100 . 1 . . . . 70 THR CB . 16698 1 545 . 1 1 77 77 THR N N 15 117.400 0.100 . 1 . . . . 70 THR N . 16698 1 546 . 1 1 78 78 TRP H H 1 8.179 0.020 . 1 . . . . 71 TRP H . 16698 1 547 . 1 1 78 78 TRP HA H 1 4.700 0.020 . 1 . . . . 71 TRP HA . 16698 1 548 . 1 1 78 78 TRP HB2 H 1 3.260 0.020 . 2 . . . . 71 TRP HB2 . 16698 1 549 . 1 1 78 78 TRP C C 13 175.790 0.100 . 1 . . . . 71 TRP C . 16698 1 550 . 1 1 78 78 TRP CA C 13 58.490 0.100 . 1 . . . . 71 TRP CA . 16698 1 551 . 1 1 78 78 TRP CB C 13 30.690 0.100 . 1 . . . . 71 TRP CB . 16698 1 552 . 1 1 78 78 TRP N N 15 122.800 0.100 . 1 . . . . 71 TRP N . 16698 1 553 . 1 1 79 79 GLU H H 1 8.383 0.020 . 1 . . . . 72 GLU H . 16698 1 554 . 1 1 79 79 GLU HA H 1 4.180 0.020 . 1 . . . . 72 GLU HA . 16698 1 555 . 1 1 79 79 GLU HB2 H 1 1.820 0.020 . 2 . . . . 72 GLU HB2 . 16698 1 556 . 1 1 79 79 GLU HB3 H 1 1.960 0.020 . 2 . . . . 72 GLU HB3 . 16698 1 557 . 1 1 79 79 GLU C C 13 176.090 0.100 . 1 . . . . 72 GLU C . 16698 1 558 . 1 1 79 79 GLU CA C 13 57.940 0.100 . 1 . . . . 72 GLU CA . 16698 1 559 . 1 1 79 79 GLU CB C 13 31.230 0.100 . 1 . . . . 72 GLU CB . 16698 1 560 . 1 1 79 79 GLU N N 15 121.700 0.100 . 1 . . . . 72 GLU N . 16698 1 561 . 1 1 80 80 HIS H H 1 8.310 0.020 . 1 . . . . 73 HIS H . 16698 1 562 . 1 1 80 80 HIS HA H 1 4.440 0.020 . 1 . . . . 73 HIS HA . 16698 1 563 . 1 1 80 80 HIS HB2 H 1 3.080 0.020 . 2 . . . . 73 HIS HB2 . 16698 1 564 . 1 1 80 80 HIS C C 13 174.318 0.100 . 1 . . . . 73 HIS C . 16698 1 565 . 1 1 80 80 HIS CA C 13 57.290 0.100 . 1 . . . . 73 HIS CA . 16698 1 566 . 1 1 80 80 HIS CB C 13 31.310 0.100 . 1 . . . . 73 HIS CB . 16698 1 567 . 1 1 80 80 HIS N N 15 119.100 0.100 . 1 . . . . 73 HIS N . 16698 1 568 . 1 1 81 81 GLN H H 1 8.480 0.020 . 1 . . . . 74 GLN H . 16698 1 569 . 1 1 81 81 GLN HA H 1 4.350 0.020 . 1 . . . . 74 GLN HA . 16698 1 570 . 1 1 81 81 GLN HB2 H 1 2.020 0.020 . 2 . . . . 74 GLN HB2 . 16698 1 571 . 1 1 81 81 GLN HB3 H 1 2.420 0.020 . 2 . . . . 74 GLN HB3 . 16698 1 572 . 1 1 81 81 GLN C C 13 176.050 0.100 . 1 . . . . 74 GLN C . 16698 1 573 . 1 1 81 81 GLN CA C 13 57.590 0.100 . 1 . . . . 74 GLN CA . 16698 1 574 . 1 1 81 81 GLN CB C 13 31.630 0.100 . 1 . . . . 74 GLN CB . 16698 1 575 . 1 1 81 81 GLN N N 15 120.253 0.100 . 1 . . . . 74 GLN N . 16698 1 576 . 1 1 82 82 SER H H 1 8.440 0.020 . 1 . . . . 75 SER H . 16698 1 577 . 1 1 82 82 SER N N 15 116.865 0.100 . 1 . . . . 75 SER N . 16698 1 578 . 1 1 83 83 PRO HA H 1 4.400 0.020 . 1 . . . . 76 PRO HA . 16698 1 579 . 1 1 83 83 PRO HB2 H 1 2.260 0.020 . 2 . . . . 76 PRO HB2 . 16698 1 580 . 1 1 83 83 PRO C C 13 175.290 0.100 . 1 . . . . 76 PRO C . 16698 1 581 . 1 1 83 83 PRO CA C 13 64.540 0.100 . 1 . . . . 76 PRO CA . 16698 1 582 . 1 1 83 83 PRO CB C 13 33.090 0.100 . 1 . . . . 76 PRO CB . 16698 1 583 . 1 1 84 84 LEU H H 1 8.197 0.020 . 1 . . . . 77 LEU H . 16698 1 584 . 1 1 84 84 LEU HA H 1 4.390 0.020 . 1 . . . . 77 LEU HA . 16698 1 585 . 1 1 84 84 LEU C C 13 177.190 0.100 . 1 . . . . 77 LEU C . 16698 1 586 . 1 1 84 84 LEU CA C 13 56.590 0.100 . 1 . . . . 77 LEU CA . 16698 1 587 . 1 1 84 84 LEU CB C 13 43.040 0.100 . 1 . . . . 77 LEU CB . 16698 1 588 . 1 1 84 84 LEU N N 15 115.600 0.100 . 1 . . . . 77 LEU N . 16698 1 589 . 1 1 85 85 SER H H 1 8.152 0.020 . 1 . . . . 78 SER H . 16698 1 590 . 1 1 85 85 SER HA H 1 4.430 0.020 . 1 . . . . 78 SER HA . 16698 1 591 . 1 1 85 85 SER HB2 H 1 3.910 0.020 . 2 . . . . 78 SER HB2 . 16698 1 592 . 1 1 85 85 SER C C 13 174.090 0.100 . 1 . . . . 78 SER C . 16698 1 593 . 1 1 85 85 SER CA C 13 59.740 0.100 . 1 . . . . 78 SER CA . 16698 1 594 . 1 1 85 85 SER CB C 13 65.020 0.100 . 1 . . . . 78 SER CB . 16698 1 595 . 1 1 85 85 SER N N 15 115.500 0.100 . 1 . . . . 78 SER N . 16698 1 596 . 1 1 86 86 ARG H H 1 8.311 0.020 . 1 . . . . 79 ARG H . 16698 1 597 . 1 1 86 86 ARG HA H 1 4.200 0.020 . 1 . . . . 79 ARG HA . 16698 1 598 . 1 1 86 86 ARG HB2 H 1 1.840 0.020 . 2 . . . . 79 ARG HB2 . 16698 1 599 . 1 1 86 86 ARG C C 13 178.190 0.100 . 1 . . . . 79 ARG C . 16698 1 600 . 1 1 86 86 ARG CA C 13 57.450 0.100 . 1 . . . . 79 ARG CA . 16698 1 601 . 1 1 86 86 ARG CB C 13 31.310 0.100 . 1 . . . . 79 ARG CB . 16698 1 602 . 1 1 86 86 ARG N N 15 122.700 0.100 . 1 . . . . 79 ARG N . 16698 1 603 . 1 1 87 87 VAL H H 1 8.120 0.020 . 1 . . . . 80 VAL H . 16698 1 604 . 1 1 87 87 VAL HA H 1 4.100 0.020 . 1 . . . . 80 VAL HA . 16698 1 605 . 1 1 87 87 VAL HB H 1 1.760 0.020 . 1 . . . . 80 VAL HB . 16698 1 606 . 1 1 87 87 VAL C C 13 175.290 0.100 . 1 . . . . 80 VAL C . 16698 1 607 . 1 1 87 87 VAL CA C 13 66.290 0.100 . 1 . . . . 80 VAL CA . 16698 1 608 . 1 1 87 87 VAL CB C 13 31.290 0.100 . 1 . . . . 80 VAL CB . 16698 1 609 . 1 1 87 87 VAL N N 15 120.600 0.100 . 1 . . . . 80 VAL N . 16698 1 610 . 1 1 88 88 TYR H H 1 8.415 0.020 . 1 . . . . 81 TYR H . 16698 1 611 . 1 1 88 88 TYR HA H 1 2.990 0.020 . 1 . . . . 81 TYR HA . 16698 1 612 . 1 1 88 88 TYR HB2 H 1 2.990 0.020 . 2 . . . . 81 TYR HB2 . 16698 1 613 . 1 1 88 88 TYR C C 13 174.790 0.100 . 1 . . . . 81 TYR C . 16698 1 614 . 1 1 88 88 TYR CA C 13 59.430 0.100 . 1 . . . . 81 TYR CA . 16698 1 615 . 1 1 88 88 TYR CB C 13 40.110 0.100 . 1 . . . . 81 TYR CB . 16698 1 616 . 1 1 88 88 TYR N N 15 124.600 0.100 . 1 . . . . 81 TYR N . 16698 1 617 . 1 1 89 89 ARG H H 1 8.165 0.020 . 1 . . . . 82 ARG H . 16698 1 618 . 1 1 89 89 ARG HA H 1 4.350 0.020 . 1 . . . . 82 ARG HA . 16698 1 619 . 1 1 89 89 ARG HB2 H 1 1.700 0.020 . 2 . . . . 82 ARG HB2 . 16698 1 620 . 1 1 89 89 ARG C C 13 174.790 0.100 . 1 . . . . 82 ARG C . 16698 1 621 . 1 1 89 89 ARG CA C 13 56.420 0.100 . 1 . . . . 82 ARG CA . 16698 1 622 . 1 1 89 89 ARG N N 15 124.000 0.100 . 1 . . . . 82 ARG N . 16698 1 623 . 1 1 90 90 SER H H 1 8.447 0.020 . 1 . . . . 83 SER H . 16698 1 624 . 1 1 90 90 SER HA H 1 4.670 0.020 . 1 . . . . 83 SER HA . 16698 1 625 . 1 1 90 90 SER HB2 H 1 3.890 0.020 . 2 . . . . 83 SER HB2 . 16698 1 626 . 1 1 90 90 SER C C 13 176.190 0.100 . 1 . . . . 83 SER C . 16698 1 627 . 1 1 90 90 SER CA C 13 57.710 0.100 . 1 . . . . 83 SER CA . 16698 1 628 . 1 1 90 90 SER N N 15 119.000 0.100 . 1 . . . . 83 SER N . 16698 1 629 . 1 1 91 91 PRO HA H 1 4.820 0.020 . 1 . . . . 84 PRO HA . 16698 1 630 . 1 1 91 91 PRO HB2 H 1 2.130 0.020 . 2 . . . . 84 PRO HB2 . 16698 1 631 . 1 1 91 91 PRO HB3 H 1 2.420 0.020 . 2 . . . . 84 PRO HB3 . 16698 1 632 . 1 1 91 91 PRO C C 13 175.490 0.100 . 1 . . . . 84 PRO C . 16698 1 633 . 1 1 91 91 PRO CA C 13 63.620 0.100 . 1 . . . . 84 PRO CA . 16698 1 634 . 1 1 91 91 PRO CB C 13 35.330 0.100 . 1 . . . . 84 PRO CB . 16698 1 635 . 1 1 92 92 SER H H 1 8.710 0.020 . 1 . . . . 85 SER H . 16698 1 636 . 1 1 92 92 SER HA H 1 4.750 0.020 . 1 . . . . 85 SER HA . 16698 1 637 . 1 1 92 92 SER HB2 H 1 3.950 0.020 . 2 . . . . 85 SER HB2 . 16698 1 638 . 1 1 92 92 SER C C 13 172.990 0.100 . 1 . . . . 85 SER C . 16698 1 639 . 1 1 92 92 SER CA C 13 57.680 0.100 . 1 . . . . 85 SER CA . 16698 1 640 . 1 1 92 92 SER N N 15 117.500 0.100 . 1 . . . . 85 SER N . 16698 1 641 . 1 1 93 93 PRO HA H 1 4.820 0.020 . 1 . . . . 86 PRO HA . 16698 1 642 . 1 1 93 93 PRO HB2 H 1 2.120 0.020 . 2 . . . . 86 PRO HB2 . 16698 1 643 . 1 1 93 93 PRO C C 13 175.590 0.100 . 1 . . . . 86 PRO C . 16698 1 644 . 1 1 93 93 PRO CA C 13 63.930 0.100 . 1 . . . . 86 PRO CA . 16698 1 645 . 1 1 93 93 PRO CB C 13 35.440 0.100 . 1 . . . . 86 PRO CB . 16698 1 646 . 1 1 94 94 MET H H 1 8.859 0.020 . 1 . . . . 87 MET H . 16698 1 647 . 1 1 94 94 MET HA H 1 4.560 0.020 . 1 . . . . 87 MET HA . 16698 1 648 . 1 1 94 94 MET HB2 H 1 2.030 0.020 . 2 . . . . 87 MET HB2 . 16698 1 649 . 1 1 94 94 MET HB3 H 1 2.400 0.020 . 2 . . . . 87 MET HB3 . 16698 1 650 . 1 1 94 94 MET C C 13 174.190 0.100 . 1 . . . . 87 MET C . 16698 1 651 . 1 1 94 94 MET CA C 13 56.010 0.100 . 1 . . . . 87 MET CA . 16698 1 652 . 1 1 94 94 MET N N 15 123.400 0.100 . 1 . . . . 87 MET N . 16698 1 653 . 1 1 95 95 ARG HB2 H 1 1.690 0.020 . 2 . . . . 88 ARG HB2 . 16698 1 654 . 1 1 95 95 ARG C C 13 176.390 0.100 . 1 . . . . 88 ARG C . 16698 1 655 . 1 1 95 95 ARG CA C 13 57.290 0.100 . 1 . . . . 88 ARG CA . 16698 1 656 . 1 1 95 95 ARG CB C 13 31.490 0.100 . 1 . . . . 88 ARG CB . 16698 1 657 . 1 1 96 96 PHE H H 1 8.401 0.020 . 1 . . . . 89 PHE H . 16698 1 658 . 1 1 96 96 PHE HA H 1 4.690 0.020 . 1 . . . . 89 PHE HA . 16698 1 659 . 1 1 96 96 PHE HB2 H 1 3.040 0.020 . 2 . . . . 89 PHE HB2 . 16698 1 660 . 1 1 96 96 PHE HB3 H 1 3.220 0.020 . 2 . . . . 89 PHE HB3 . 16698 1 661 . 1 1 96 96 PHE C C 13 175.790 0.100 . 1 . . . . 89 PHE C . 16698 1 662 . 1 1 96 96 PHE CA C 13 58.880 0.100 . 1 . . . . 89 PHE CA . 16698 1 663 . 1 1 96 96 PHE CB C 13 40.730 0.100 . 1 . . . . 89 PHE CB . 16698 1 664 . 1 1 96 96 PHE N N 15 120.710 0.100 . 1 . . . . 89 PHE N . 16698 1 665 . 1 1 97 97 GLY H H 1 8.436 0.020 . 1 . . . . 90 GLY H . 16698 1 666 . 1 1 97 97 GLY HA2 H 1 3.990 0.020 . 1 . . . . 90 GLY HA1 . 16698 1 667 . 1 1 97 97 GLY HA3 H 1 3.990 0.020 . 2 . . . . 90 GLY HA2 . 16698 1 668 . 1 1 97 97 GLY C C 13 173.390 0.100 . 1 . . . . 90 GLY C . 16698 1 669 . 1 1 97 97 GLY CA C 13 46.640 0.100 . 1 . . . . 90 GLY CA . 16698 1 670 . 1 1 97 97 GLY N N 15 109.800 0.100 . 1 . . . . 90 GLY N . 16698 1 671 . 1 1 98 98 LYS H H 1 8.192 0.020 . 1 . . . . 91 LYS H . 16698 1 672 . 1 1 98 98 LYS HA H 1 4.410 0.020 . 1 . . . . 91 LYS HA . 16698 1 673 . 1 1 98 98 LYS HB2 H 1 1.810 0.020 . 2 . . . . 91 LYS HB2 . 16698 1 674 . 1 1 98 98 LYS C C 13 175.679 0.100 . 1 . . . . 91 LYS C . 16698 1 675 . 1 1 98 98 LYS CA C 13 57.290 0.100 . 1 . . . . 91 LYS CA . 16698 1 676 . 1 1 98 98 LYS CB C 13 32.010 0.100 . 1 . . . . 91 LYS CB . 16698 1 677 . 1 1 98 98 LYS N N 15 119.400 0.100 . 1 . . . . 91 LYS N . 16698 1 678 . 1 1 99 99 ARG H H 1 8.488 0.020 . 1 . . . . 92 ARG H . 16698 1 679 . 1 1 99 99 ARG C C 13 172.190 0.100 . 1 . . . . 92 ARG C . 16698 1 680 . 1 1 99 99 ARG CA C 13 57.640 0.100 . 1 . . . . 92 ARG CA . 16698 1 681 . 1 1 99 99 ARG N N 15 118.534 0.100 . 1 . . . . 92 ARG N . 16698 1 682 . 1 1 100 100 PRO HA H 1 4.820 0.020 . 1 . . . . 93 PRO HA . 16698 1 683 . 1 1 100 100 PRO HB2 H 1 2.130 0.020 . 2 . . . . 93 PRO HB2 . 16698 1 684 . 1 1 100 100 PRO C C 13 175.590 0.100 . 1 . . . . 93 PRO C . 16698 1 685 . 1 1 100 100 PRO CA C 13 64.000 0.100 . 1 . . . . 93 PRO CA . 16698 1 686 . 1 1 100 100 PRO CB C 13 35.490 0.100 . 1 . . . . 93 PRO CB . 16698 1 687 . 1 1 101 101 ARG H H 1 8.728 0.020 . 1 . . . . 94 ARG H . 16698 1 688 . 1 1 101 101 ARG HA H 1 4.340 0.020 . 1 . . . . 94 ARG HA . 16698 1 689 . 1 1 101 101 ARG HB2 H 1 1.820 0.020 . 2 . . . . 94 ARG HB2 . 16698 1 690 . 1 1 101 101 ARG C C 13 175.890 0.100 . 1 . . . . 94 ARG C . 16698 1 691 . 1 1 101 101 ARG CA C 13 57.510 0.100 . 1 . . . . 94 ARG CA . 16698 1 692 . 1 1 101 101 ARG CB C 13 31.810 0.100 . 1 . . . . 94 ARG CB . 16698 1 693 . 1 1 101 101 ARG N N 15 121.500 0.100 . 1 . . . . 94 ARG N . 16698 1 694 . 1 1 102 102 ILE H H 1 8.381 0.020 . 1 . . . . 95 ILE H . 16698 1 695 . 1 1 102 102 ILE HA H 1 4.310 0.020 . 1 . . . . 95 ILE HA . 16698 1 696 . 1 1 102 102 ILE HB H 1 1.910 0.020 . 1 . . . . 95 ILE HB . 16698 1 697 . 1 1 102 102 ILE C C 13 175.890 0.100 . 1 . . . . 95 ILE C . 16698 1 698 . 1 1 102 102 ILE CA C 13 62.050 0.100 . 1 . . . . 95 ILE CA . 16698 1 699 . 1 1 102 102 ILE CB C 13 40.460 0.100 . 1 . . . . 95 ILE CB . 16698 1 700 . 1 1 102 102 ILE N N 15 122.700 0.100 . 1 . . . . 95 ILE N . 16698 1 701 . 1 1 103 103 SER H H 1 8.649 0.020 . 1 . . . . 96 SER H . 16698 1 702 . 1 1 103 103 SER HA H 1 4.500 0.020 . 1 . . . . 96 SER HA . 16698 1 703 . 1 1 103 103 SER HB2 H 1 3.890 0.020 . 2 . . . . 96 SER HB2 . 16698 1 704 . 1 1 103 103 SER C C 13 174.040 0.100 . 1 . . . . 96 SER C . 16698 1 705 . 1 1 103 103 SER CA C 13 59.440 0.100 . 1 . . . . 96 SER CA . 16698 1 706 . 1 1 103 103 SER CB C 13 65.100 0.100 . 1 . . . . 96 SER CB . 16698 1 707 . 1 1 103 103 SER N N 15 120.200 0.100 . 1 . . . . 96 SER N . 16698 1 708 . 1 1 104 104 SER H H 1 8.315 0.020 . 1 . . . . 97 SER H . 16698 1 709 . 1 1 104 104 SER HA H 1 4.480 0.020 . 1 . . . . 97 SER HA . 16698 1 710 . 1 1 104 104 SER HB2 H 1 3.940 0.020 . 2 . . . . 97 SER HB2 . 16698 1 711 . 1 1 104 104 SER C C 13 175.790 0.100 . 1 . . . . 97 SER C . 16698 1 712 . 1 1 104 104 SER CA C 13 59.390 0.100 . 1 . . . . 97 SER CA . 16698 1 713 . 1 1 104 104 SER CB C 13 65.000 0.100 . 1 . . . . 97 SER CB . 16698 1 714 . 1 1 104 104 SER N N 15 118.300 0.100 . 1 . . . . 97 SER N . 16698 1 715 . 1 1 105 105 ASN H H 1 8.595 0.020 . 1 . . . . 98 ASN H . 16698 1 716 . 1 1 105 105 ASN HA H 1 4.820 0.020 . 1 . . . . 98 ASN HA . 16698 1 717 . 1 1 105 105 ASN HB2 H 1 2.870 0.020 . 2 . . . . 98 ASN HB2 . 16698 1 718 . 1 1 105 105 ASN C C 13 175.042 0.100 . 1 . . . . 98 ASN C . 16698 1 719 . 1 1 105 105 ASN CA C 13 54.610 0.100 . 1 . . . . 98 ASN CA . 16698 1 720 . 1 1 105 105 ASN CB C 13 39.900 0.100 . 1 . . . . 98 ASN CB . 16698 1 721 . 1 1 105 105 ASN N N 15 120.600 0.100 . 1 . . . . 98 ASN N . 16698 1 722 . 1 1 106 106 SER H H 1 8.409 0.020 . 1 . . . . 99 SER H . 16698 1 723 . 1 1 106 106 SER HA H 1 4.540 0.020 . 1 . . . . 99 SER HA . 16698 1 724 . 1 1 106 106 SER HB2 H 1 3.940 0.020 . 2 . . . . 99 SER HB2 . 16698 1 725 . 1 1 106 106 SER C C 13 174.636 0.100 . 1 . . . . 99 SER C . 16698 1 726 . 1 1 106 106 SER CA C 13 60.070 0.100 . 1 . . . . 99 SER CA . 16698 1 727 . 1 1 106 106 SER CB C 13 64.900 0.100 . 1 . . . . 99 SER CB . 16698 1 728 . 1 1 106 106 SER N N 15 115.975 0.100 . 1 . . . . 99 SER N . 16698 1 729 . 1 1 107 107 THR H H 1 8.325 0.020 . 1 . . . . 100 THR H . 16698 1 730 . 1 1 107 107 THR HA H 1 4.360 0.020 . 1 . . . . 100 THR HA . 16698 1 731 . 1 1 107 107 THR HB H 1 4.200 0.020 . 1 . . . . 100 THR HB . 16698 1 732 . 1 1 107 107 THR C C 13 174.469 0.100 . 1 . . . . 100 THR C . 16698 1 733 . 1 1 107 107 THR CA C 13 63.690 0.100 . 1 . . . . 100 THR CA . 16698 1 734 . 1 1 107 107 THR CB C 13 70.890 0.100 . 1 . . . . 100 THR CB . 16698 1 735 . 1 1 107 107 THR N N 15 115.409 0.100 . 1 . . . . 100 THR N . 16698 1 736 . 1 1 108 108 SER H H 1 8.388 0.020 . 1 . . . . 101 SER H . 16698 1 737 . 1 1 108 108 SER HA H 1 4.500 0.020 . 1 . . . . 101 SER HA . 16698 1 738 . 1 1 108 108 SER HB2 H 1 3.930 0.020 . 2 . . . . 101 SER HB2 . 16698 1 739 . 1 1 108 108 SER C C 13 174.341 0.100 . 1 . . . . 101 SER C . 16698 1 740 . 1 1 108 108 SER CA C 13 59.800 0.100 . 1 . . . . 101 SER CA . 16698 1 741 . 1 1 108 108 SER CB C 13 64.860 0.100 . 1 . . . . 101 SER CB . 16698 1 742 . 1 1 108 108 SER N N 15 117.997 0.100 . 1 . . . . 101 SER N . 16698 1 743 . 1 1 109 109 ARG H H 1 8.492 0.020 . 1 . . . . 102 ARG H . 16698 1 744 . 1 1 109 109 ARG HA H 1 4.350 0.020 . 1 . . . . 102 ARG HA . 16698 1 745 . 1 1 109 109 ARG HB2 H 1 1.830 0.020 . 2 . . . . 102 ARG HB2 . 16698 1 746 . 1 1 109 109 ARG HB3 H 1 1.860 0.020 . 2 . . . . 102 ARG HB3 . 16698 1 747 . 1 1 109 109 ARG C C 13 176.040 0.100 . 1 . . . . 102 ARG C . 16698 1 748 . 1 1 109 109 ARG CA C 13 57.660 0.100 . 1 . . . . 102 ARG CA . 16698 1 749 . 1 1 109 109 ARG CB C 13 33.070 0.100 . 1 . . . . 102 ARG CB . 16698 1 750 . 1 1 109 109 ARG N N 15 122.905 0.100 . 1 . . . . 102 ARG N . 16698 1 751 . 1 1 110 110 SER H H 1 8.510 0.020 . 1 . . . . 103 SER H . 16698 1 752 . 1 1 110 110 SER HA H 1 4.480 0.020 . 1 . . . . 103 SER HA . 16698 1 753 . 1 1 110 110 SER HB2 H 1 3.930 0.020 . 2 . . . . 103 SER HB2 . 16698 1 754 . 1 1 110 110 SER C C 13 173.935 0.100 . 1 . . . . 103 SER C . 16698 1 755 . 1 1 110 110 SER CA C 13 59.690 0.100 . 1 . . . . 103 SER CA . 16698 1 756 . 1 1 110 110 SER CB C 13 64.980 0.100 . 1 . . . . 103 SER CB . 16698 1 757 . 1 1 110 110 SER N N 15 117.400 0.100 . 1 . . . . 103 SER N . 16698 1 758 . 1 1 111 111 CYS H H 1 8.586 0.020 . 1 . . . . 104 CYS H . 16698 1 759 . 1 1 111 111 CYS HA H 1 4.560 0.020 . 1 . . . . 104 CYS HA . 16698 1 760 . 1 1 111 111 CYS HB2 H 1 2.990 0.020 . 2 . . . . 104 CYS HB2 . 16698 1 761 . 1 1 111 111 CYS C C 13 174.260 0.100 . 1 . . . . 104 CYS C . 16698 1 762 . 1 1 111 111 CYS CA C 13 59.720 0.100 . 1 . . . . 104 CYS CA . 16698 1 763 . 1 1 111 111 CYS CB C 13 29.090 0.100 . 1 . . . . 104 CYS CB . 16698 1 764 . 1 1 111 111 CYS N N 15 120.596 0.100 . 1 . . . . 104 CYS N . 16698 1 765 . 1 1 112 112 LYS H H 1 8.563 0.020 . 1 . . . . 105 LYS H . 16698 1 766 . 1 1 112 112 LYS HA H 1 4.390 0.020 . 1 . . . . 105 LYS HA . 16698 1 767 . 1 1 112 112 LYS HB2 H 1 1.800 0.020 . 2 . . . . 105 LYS HB2 . 16698 1 768 . 1 1 112 112 LYS HB3 H 1 1.910 0.020 . 2 . . . . 105 LYS HB3 . 16698 1 769 . 1 1 112 112 LYS C C 13 176.390 0.100 . 1 . . . . 105 LYS C . 16698 1 770 . 1 1 112 112 LYS CA C 13 57.860 0.100 . 1 . . . . 105 LYS CA . 16698 1 771 . 1 1 112 112 LYS CB C 13 33.890 0.100 . 1 . . . . 105 LYS CB . 16698 1 772 . 1 1 112 112 LYS N N 15 123.702 0.100 . 1 . . . . 105 LYS N . 16698 1 773 . 1 1 113 113 THR H H 1 8.228 0.020 . 1 . . . . 106 THR H . 16698 1 774 . 1 1 113 113 THR HA H 1 4.190 0.020 . 1 . . . . 106 THR HA . 16698 1 775 . 1 1 113 113 THR HB H 1 3.990 0.020 . 1 . . . . 106 THR HB . 16698 1 776 . 1 1 113 113 THR C C 13 174.190 0.100 . 1 . . . . 106 THR C . 16698 1 777 . 1 1 113 113 THR CA C 13 63.290 0.100 . 1 . . . . 106 THR CA . 16698 1 778 . 1 1 113 113 THR CB C 13 71.090 0.100 . 1 . . . . 106 THR CB . 16698 1 779 . 1 1 113 113 THR N N 15 115.200 0.100 . 1 . . . . 106 THR N . 16698 1 780 . 1 1 114 114 SER H H 1 8.750 0.020 . 1 . . . . 107 SER H . 16698 1 781 . 1 1 114 114 SER HA H 1 4.530 0.020 . 1 . . . . 107 SER HA . 16698 1 782 . 1 1 114 114 SER HB2 H 1 3.920 0.020 . 2 . . . . 107 SER HB2 . 16698 1 783 . 1 1 114 114 SER C C 13 174.590 0.100 . 1 . . . . 107 SER C . 16698 1 784 . 1 1 114 114 SER CA C 13 59.510 0.100 . 1 . . . . 107 SER CA . 16698 1 785 . 1 1 114 114 SER CB C 13 65.570 0.100 . 1 . . . . 107 SER CB . 16698 1 786 . 1 1 114 114 SER N N 15 119.500 0.100 . 1 . . . . 107 SER N . 16698 1 787 . 1 1 115 115 TRP H H 1 8.682 0.020 . 1 . . . . 108 TRP H . 16698 1 788 . 1 1 115 115 TRP HA H 1 4.520 0.020 . 1 . . . . 108 TRP HA . 16698 1 789 . 1 1 115 115 TRP HB2 H 1 3.360 0.020 . 2 . . . . 108 TRP HB2 . 16698 1 790 . 1 1 115 115 TRP C C 13 176.490 0.100 . 1 . . . . 108 TRP C . 16698 1 791 . 1 1 115 115 TRP CA C 13 60.450 0.100 . 1 . . . . 108 TRP CA . 16698 1 792 . 1 1 115 115 TRP CB C 13 30.130 0.100 . 1 . . . . 108 TRP CB . 16698 1 793 . 1 1 115 115 TRP N N 15 123.800 0.100 . 1 . . . . 108 TRP N . 16698 1 794 . 1 1 116 116 ALA H H 1 8.187 0.020 . 1 . . . . 109 ALA H . 16698 1 795 . 1 1 116 116 ALA HA H 1 4.010 0.020 . 1 . . . . 109 ALA HA . 16698 1 796 . 1 1 116 116 ALA HB1 H 1 1.300 0.020 . 1 . . . . 109 ALA HB . 16698 1 797 . 1 1 116 116 ALA HB2 H 1 1.300 0.020 . 1 . . . . 109 ALA HB . 16698 1 798 . 1 1 116 116 ALA HB3 H 1 1.300 0.020 . 1 . . . . 109 ALA HB . 16698 1 799 . 1 1 116 116 ALA C C 13 178.190 0.100 . 1 . . . . 109 ALA C . 16698 1 800 . 1 1 116 116 ALA CA C 13 54.970 0.100 . 1 . . . . 109 ALA CA . 16698 1 801 . 1 1 116 116 ALA CB C 13 19.690 0.100 . 1 . . . . 109 ALA CB . 16698 1 802 . 1 1 116 116 ALA N N 15 122.200 0.100 . 1 . . . . 109 ALA N . 16698 1 803 . 1 1 117 117 ASP H H 1 7.950 0.020 . 1 . . . . 110 ASP H . 16698 1 804 . 1 1 117 117 ASP HA H 1 4.510 0.020 . 1 . . . . 110 ASP HA . 16698 1 805 . 1 1 117 117 ASP HB2 H 1 2.740 0.020 . 2 . . . . 110 ASP HB2 . 16698 1 806 . 1 1 117 117 ASP C C 13 176.490 0.100 . 1 . . . . 110 ASP C . 16698 1 807 . 1 1 117 117 ASP CA C 13 56.610 0.100 . 1 . . . . 110 ASP CA . 16698 1 808 . 1 1 117 117 ASP CB C 13 42.060 0.100 . 1 . . . . 110 ASP CB . 16698 1 809 . 1 1 117 117 ASP N N 15 118.100 0.100 . 1 . . . . 110 ASP N . 16698 1 810 . 1 1 118 118 ARG H H 1 8.000 0.020 . 1 . . . . 111 ARG H . 16698 1 811 . 1 1 118 118 ARG HA H 1 4.200 0.020 . 1 . . . . 111 ARG HA . 16698 1 812 . 1 1 118 118 ARG HB2 H 1 1.840 0.020 . 2 . . . . 111 ARG HB2 . 16698 1 813 . 1 1 118 118 ARG C C 13 177.190 0.100 . 1 . . . . 111 ARG C . 16698 1 814 . 1 1 118 118 ARG CA C 13 58.590 0.100 . 1 . . . . 111 ARG CA . 16698 1 815 . 1 1 118 118 ARG CB C 13 31.340 0.100 . 1 . . . . 111 ARG CB . 16698 1 816 . 1 1 118 118 ARG N N 15 120.600 0.100 . 1 . . . . 111 ARG N . 16698 1 817 . 1 1 119 119 VAL H H 1 8.090 0.020 . 1 . . . . 112 VAL H . 16698 1 818 . 1 1 119 119 VAL HA H 1 3.870 0.020 . 1 . . . . 112 VAL HA . 16698 1 819 . 1 1 119 119 VAL HB H 1 2.020 0.020 . 1 . . . . 112 VAL HB . 16698 1 820 . 1 1 119 119 VAL C C 13 176.790 0.100 . 1 . . . . 112 VAL C . 16698 1 821 . 1 1 119 119 VAL CA C 13 65.170 0.100 . 1 . . . . 112 VAL CA . 16698 1 822 . 1 1 119 119 VAL CB C 13 33.070 0.100 . 1 . . . . 112 VAL CB . 16698 1 823 . 1 1 119 119 VAL N N 15 120.500 0.100 . 1 . . . . 112 VAL N . 16698 1 824 . 1 1 120 120 ARG H H 1 8.119 0.020 . 1 . . . . 113 ARG H . 16698 1 825 . 1 1 120 120 ARG HA H 1 4.220 0.020 . 1 . . . . 113 ARG HA . 16698 1 826 . 1 1 120 120 ARG HB2 H 1 1.890 0.020 . 2 . . . . 113 ARG HB2 . 16698 1 827 . 1 1 120 120 ARG C C 13 178.090 0.100 . 1 . . . . 113 ARG C . 16698 1 828 . 1 1 120 120 ARG CA C 13 58.490 0.100 . 1 . . . . 113 ARG CA . 16698 1 829 . 1 1 120 120 ARG CB C 13 31.390 0.100 . 1 . . . . 113 ARG CB . 16698 1 830 . 1 1 120 120 ARG N N 15 123.100 0.100 . 1 . . . . 113 ARG N . 16698 1 831 . 1 1 121 121 GLU H H 1 8.390 0.020 . 1 . . . . 114 GLU H . 16698 1 832 . 1 1 121 121 GLU HA H 1 4.180 0.020 . 1 . . . . 114 GLU HA . 16698 1 833 . 1 1 121 121 GLU HB2 H 1 2.040 0.020 . 2 . . . . 114 GLU HB2 . 16698 1 834 . 1 1 121 121 GLU C C 13 176.690 0.100 . 1 . . . . 114 GLU C . 16698 1 835 . 1 1 121 121 GLU CA C 13 58.570 0.100 . 1 . . . . 114 GLU CA . 16698 1 836 . 1 1 121 121 GLU CB C 13 31.070 0.100 . 1 . . . . 114 GLU CB . 16698 1 837 . 1 1 121 121 GLU N N 15 120.824 0.100 . 1 . . . . 114 GLU N . 16698 1 838 . 1 1 122 122 ALA H H 1 8.223 0.020 . 1 . . . . 115 ALA H . 16698 1 839 . 1 1 122 122 ALA HA H 1 4.250 0.020 . 1 . . . . 115 ALA HA . 16698 1 840 . 1 1 122 122 ALA HB1 H 1 1.480 0.020 . 1 . . . . 115 ALA HB . 16698 1 841 . 1 1 122 122 ALA HB2 H 1 1.480 0.020 . 1 . . . . 115 ALA HB . 16698 1 842 . 1 1 122 122 ALA HB3 H 1 1.480 0.020 . 1 . . . . 115 ALA HB . 16698 1 843 . 1 1 122 122 ALA C C 13 179.090 0.100 . 1 . . . . 115 ALA C . 16698 1 844 . 1 1 122 122 ALA CA C 13 55.210 0.100 . 1 . . . . 115 ALA CA . 16698 1 845 . 1 1 122 122 ALA CB C 13 19.290 0.100 . 1 . . . . 115 ALA CB . 16698 1 846 . 1 1 122 122 ALA N N 15 123.700 0.100 . 1 . . . . 115 ALA N . 16698 1 847 . 1 1 123 123 ALA H H 1 8.080 0.020 . 1 . . . . 116 ALA H . 16698 1 848 . 1 1 123 123 ALA HA H 1 4.240 0.020 . 1 . . . . 116 ALA HA . 16698 1 849 . 1 1 123 123 ALA HB1 H 1 1.500 0.020 . 1 . . . . 116 ALA HB . 16698 1 850 . 1 1 123 123 ALA HB2 H 1 1.500 0.020 . 1 . . . . 116 ALA HB . 16698 1 851 . 1 1 123 123 ALA HB3 H 1 1.500 0.020 . 1 . . . . 116 ALA HB . 16698 1 852 . 1 1 123 123 ALA C C 13 178.890 0.100 . 1 . . . . 116 ALA C . 16698 1 853 . 1 1 123 123 ALA CA C 13 55.200 0.100 . 1 . . . . 116 ALA CA . 16698 1 854 . 1 1 123 123 ALA CB C 13 19.340 0.100 . 1 . . . . 116 ALA CB . 16698 1 855 . 1 1 123 123 ALA N N 15 121.200 0.100 . 1 . . . . 116 ALA N . 16698 1 856 . 1 1 124 124 ALA H H 1 8.033 0.020 . 1 . . . . 117 ALA H . 16698 1 857 . 1 1 124 124 ALA HA H 1 4.230 0.020 . 1 . . . . 117 ALA HA . 16698 1 858 . 1 1 124 124 ALA HB1 H 1 1.500 0.020 . 1 . . . . 117 ALA HB . 16698 1 859 . 1 1 124 124 ALA HB2 H 1 1.500 0.020 . 1 . . . . 117 ALA HB . 16698 1 860 . 1 1 124 124 ALA HB3 H 1 1.500 0.020 . 1 . . . . 117 ALA HB . 16698 1 861 . 1 1 124 124 ALA C C 13 178.890 0.100 . 1 . . . . 117 ALA C . 16698 1 862 . 1 1 124 124 ALA CA C 13 55.100 0.100 . 1 . . . . 117 ALA CA . 16698 1 863 . 1 1 124 124 ALA CB C 13 19.490 0.100 . 1 . . . . 117 ALA CB . 16698 1 864 . 1 1 124 124 ALA N N 15 121.500 0.100 . 1 . . . . 117 ALA N . 16698 1 865 . 1 1 125 125 GLN H H 1 8.101 0.020 . 1 . . . . 118 GLN H . 16698 1 866 . 1 1 125 125 GLN HA H 1 4.200 0.020 . 1 . . . . 118 GLN HA . 16698 1 867 . 1 1 125 125 GLN HB2 H 1 2.150 0.020 . 2 . . . . 118 GLN HB2 . 16698 1 868 . 1 1 125 125 GLN C C 13 176.897 0.100 . 1 . . . . 118 GLN C . 16698 1 869 . 1 1 125 125 GLN CA C 13 58.590 0.100 . 1 . . . . 118 GLN CA . 16698 1 870 . 1 1 125 125 GLN CB C 13 29.790 0.100 . 1 . . . . 118 GLN CB . 16698 1 871 . 1 1 125 125 GLN N N 15 117.900 0.100 . 1 . . . . 118 GLN N . 16698 1 872 . 1 1 126 126 ARG H H 1 8.075 0.020 . 1 . . . . 119 ARG H . 16698 1 873 . 1 1 126 126 ARG HA H 1 4.270 0.020 . 1 . . . . 119 ARG HA . 16698 1 874 . 1 1 126 126 ARG HB2 H 1 1.880 0.020 . 2 . . . . 119 ARG HB2 . 16698 1 875 . 1 1 126 126 ARG C C 13 176.890 0.100 . 1 . . . . 119 ARG C . 16698 1 876 . 1 1 126 126 ARG N N 15 120.197 0.100 . 1 . . . . 119 ARG N . 16698 1 877 . 1 1 127 127 ARG HA H 1 4.240 0.020 . 1 . . . . 120 ARG HA . 16698 1 878 . 1 1 127 127 ARG HB2 H 1 1.900 0.020 . 2 . . . . 120 ARG HB2 . 16698 1 879 . 1 1 127 127 ARG C C 13 176.515 0.100 . 1 . . . . 120 ARG C . 16698 1 880 . 1 1 127 127 ARG CA C 13 58.440 0.100 . 1 . . . . 120 ARG CA . 16698 1 881 . 1 1 127 127 ARG CB C 13 31.460 0.100 . 1 . . . . 120 ARG CB . 16698 1 882 . 1 1 128 128 LEU H H 1 8.062 0.020 . 1 . . . . 121 LEU H . 16698 1 883 . 1 1 128 128 LEU C C 13 177.090 0.100 . 1 . . . . 121 LEU C . 16698 1 884 . 1 1 128 128 LEU CA C 13 57.290 0.100 . 1 . . . . 121 LEU CA . 16698 1 885 . 1 1 128 128 LEU N N 15 121.616 0.100 . 1 . . . . 121 LEU N . 16698 1 stop_ save_ save_Free_ORF57_303k _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Free_ORF57_303k _Assigned_chem_shift_list.Entry_ID 16698 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.10 _Assigned_chem_shift_list.Chem_shift_15N_err 0.10 _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 'The file contains assignments for ORF57 8-120 free form at 303k' _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' . . . 16698 2 2 '3D 1H-15N NOESY' . . . 16698 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16698 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 THR H H 1 8.253 0.020 . 1 . . . . -2 THR H . 16698 2 2 . 1 1 5 5 THR N N 15 114.703 0.100 . 1 . . . . -2 THR N . 16698 2 3 . 1 1 6 6 GLY H H 1 8.475 0.020 . 1 . . . . -1 GLY H . 16698 2 4 . 1 1 6 6 GLY N N 15 111.392 0.100 . 1 . . . . -1 GLY N . 16698 2 5 . 1 1 7 7 GLY H H 1 8.349 0.020 . 1 . . . . 0 GLY H . 16698 2 6 . 1 1 7 7 GLY N N 15 108.768 0.100 . 1 . . . . 0 GLY N . 16698 2 7 . 1 1 8 8 GLN H H 1 8.341 0.020 . 1 . . . . 1 GLN H . 16698 2 8 . 1 1 8 8 GLN N N 15 119.881 0.100 . 1 . . . . 1 GLN N . 16698 2 9 . 1 1 9 9 GLN H H 1 8.536 0.020 . 1 . . . . 2 GLN H . 16698 2 10 . 1 1 9 9 GLN N N 15 121.532 0.100 . 1 . . . . 2 GLN N . 16698 2 11 . 1 1 10 10 MET H H 1 8.458 0.020 . 1 . . . . 3 MET H . 16698 2 12 . 1 1 10 10 MET N N 15 121.735 0.100 . 1 . . . . 3 MET N . 16698 2 13 . 1 1 11 11 GLY H H 1 8.467 0.020 . 1 . . . . 4 GLY H . 16698 2 14 . 1 1 11 11 GLY N N 15 110.211 0.100 . 1 . . . . 4 GLY N . 16698 2 15 . 1 1 12 12 ARG H H 1 8.135 0.020 . 1 . . . . 5 ARG H . 16698 2 16 . 1 1 12 12 ARG N N 15 120.384 0.100 . 1 . . . . 5 ARG N . 16698 2 17 . 1 1 13 13 ASP H H 1 8.467 0.020 . 1 . . . . 6 ASP H . 16698 2 18 . 1 1 13 13 ASP N N 15 123.823 0.100 . 1 . . . . 6 ASP N . 16698 2 19 . 1 1 15 15 GLY H H 1 8.598 0.020 . 1 . . . . 8 GLY H . 16698 2 20 . 1 1 15 15 GLY N N 15 108.553 0.100 . 1 . . . . 8 GLY N . 16698 2 21 . 1 1 16 16 ILE H H 1 7.829 0.020 . 1 . . . . 9 ILE H . 16698 2 22 . 1 1 16 16 ILE N N 15 119.644 0.100 . 1 . . . . 9 ILE N . 16698 2 23 . 1 1 17 17 SER H H 1 8.459 0.020 . 1 . . . . 10 SER H . 16698 2 24 . 1 1 17 17 SER N N 15 120.102 0.100 . 1 . . . . 10 SER N . 16698 2 25 . 1 1 18 18 SER H H 1 8.465 0.020 . 1 . . . . 11 SER H . 16698 2 26 . 1 1 18 18 SER N N 15 118.255 0.100 . 1 . . . . 11 SER N . 16698 2 27 . 1 1 19 19 ASP H H 1 8.428 0.020 . 1 . . . . 12 ASP H . 16698 2 28 . 1 1 19 19 ASP N N 15 122.433 0.100 . 1 . . . . 12 ASP N . 16698 2 29 . 1 1 20 20 ASP H H 1 8.191 0.020 . 1 . . . . 13 ASP H . 16698 2 30 . 1 1 20 20 ASP N N 15 120.159 0.100 . 1 . . . . 13 ASP N . 16698 2 31 . 1 1 21 21 ASP H H 1 8.18 0.020 . 1 . . . . 14 ASP H . 16698 2 32 . 1 1 21 21 ASP N N 15 120.298 0.100 . 1 . . . . 14 ASP N . 16698 2 33 . 1 1 22 22 PHE H H 1 8.096 0.020 . 1 . . . . 15 PHE H . 16698 2 34 . 1 1 22 22 PHE N N 15 120.482 0.100 . 1 . . . . 15 PHE N . 16698 2 35 . 1 1 23 23 ASP H H 1 8.334 0.020 . 1 . . . . 16 ASP H . 16698 2 36 . 1 1 23 23 ASP N N 15 122.267 0.100 . 1 . . . . 16 ASP N . 16698 2 37 . 1 1 24 24 SER H H 1 8.262 0.020 . 1 . . . . 17 SER H . 16698 2 38 . 1 1 24 24 SER N N 15 117.189 0.100 . 1 . . . . 17 SER N . 16698 2 39 . 1 1 25 25 SER H H 1 8.435 0.020 . 1 . . . . 18 SER H . 16698 2 40 . 1 1 25 25 SER N N 15 118.108 0.100 . 1 . . . . 18 SER N . 16698 2 41 . 1 1 26 26 ASP H H 1 8.361 0.020 . 1 . . . . 19 ASP H . 16698 2 42 . 1 1 26 26 ASP N N 15 122.313 0.100 . 1 . . . . 19 ASP N . 16698 2 43 . 1 1 27 27 SER H H 1 8.293 0.020 . 1 . . . . 20 SER H . 16698 2 44 . 1 1 27 27 SER N N 15 116.490 0.100 . 1 . . . . 20 SER N . 16698 2 45 . 1 1 28 28 SER H H 1 8.446 0.020 . 1 . . . . 21 SER H . 16698 2 46 . 1 1 28 28 SER N N 15 118.151 0.100 . 1 . . . . 21 SER N . 16698 2 47 . 1 1 29 29 SER H H 1 8.395 0.020 . 1 . . . . 22 SER H . 16698 2 48 . 1 1 29 29 SER N N 15 117.708 0.100 . 1 . . . . 22 SER N . 16698 2 49 . 1 1 30 30 ASP H H 1 8.393 0.020 . 1 . . . . 23 ASP H . 16698 2 50 . 1 1 30 30 ASP N N 15 122.585 0.100 . 1 . . . . 23 ASP N . 16698 2 51 . 1 1 31 31 GLU H H 1 8.322 0.020 . 1 . . . . 24 GLU H . 16698 2 52 . 1 1 31 31 GLU N N 15 120.787 0.100 . 1 . . . . 24 GLU N . 16698 2 53 . 1 1 32 32 GLU H H 1 8.4 0.020 . 1 . . . . 25 GLU H . 16698 2 54 . 1 1 32 32 GLU N N 15 121.792 0.100 . 1 . . . . 25 GLU N . 16698 2 55 . 1 1 33 33 GLU H H 1 8.479 0.020 . 1 . . . . 26 GLU H . 16698 2 56 . 1 1 33 33 GLU N N 15 122.304 0.100 . 1 . . . . 26 GLU N . 16698 2 57 . 1 1 34 34 SER H H 1 8.383 0.020 . 1 . . . . 27 SER H . 16698 2 58 . 1 1 34 34 SER N N 15 117.037 0.100 . 1 . . . . 27 SER N . 16698 2 59 . 1 1 35 35 ASP H H 1 8.429 0.020 . 1 . . . . 28 ASP H . 16698 2 60 . 1 1 35 35 ASP N N 15 122.475 0.100 . 1 . . . . 28 ASP N . 16698 2 61 . 1 1 36 36 THR H H 1 8.142 0.020 . 1 . . . . 29 THR H . 16698 2 62 . 1 1 36 36 THR N N 15 113.747 0.100 . 1 . . . . 29 THR N . 16698 2 63 . 1 1 37 37 SER H H 1 8.328 0.020 . 1 . . . . 30 SER H . 16698 2 64 . 1 1 37 37 SER N N 15 119.766 0.100 . 1 . . . . 30 SER N . 16698 2 65 . 1 1 39 39 GLN H H 1 8.451 0.020 . 1 . . . . 32 GLN H . 16698 2 66 . 1 1 39 39 GLN N N 15 120.309 0.100 . 1 . . . . 32 GLN N . 16698 2 67 . 1 1 40 40 ILE H H 1 8.12 0.020 . 1 . . . . 33 ILE H . 16698 2 68 . 1 1 40 40 ILE N N 15 121.995 0.100 . 1 . . . . 33 ILE N . 16698 2 69 . 1 1 41 41 MET H H 1 8.443 0.020 . 1 . . . . 34 MET H . 16698 2 70 . 1 1 41 41 MET N N 15 124.587 0.100 . 1 . . . . 34 MET N . 16698 2 71 . 1 1 42 42 LYS H H 1 8.368 0.020 . 1 . . . . 35 LYS H . 16698 2 72 . 1 1 42 42 LYS N N 15 123.317 0.100 . 1 . . . . 35 LYS N . 16698 2 73 . 1 1 43 43 SER H H 1 8.356 0.020 . 1 . . . . 36 SER H . 16698 2 74 . 1 1 43 43 SER N N 15 116.973 0.100 . 1 . . . . 36 SER N . 16698 2 75 . 1 1 44 44 ASP H H 1 8.504 0.020 . 1 . . . . 37 ASP H . 16698 2 76 . 1 1 44 44 ASP N N 15 122.604 0.100 . 1 . . . . 37 ASP N . 16698 2 77 . 1 1 45 45 VAL H H 1 8.099 0.020 . 1 . . . . 38 VAL H . 16698 2 78 . 1 1 45 45 VAL N N 15 119.680 0.100 . 1 . . . . 38 VAL N . 16698 2 79 . 1 1 46 46 THR H H 1 8.286 0.020 . 1 . . . . 39 THR H . 16698 2 80 . 1 1 46 46 THR N N 15 117.502 0.100 . 1 . . . . 39 THR N . 16698 2 81 . 1 1 47 47 MET H H 1 8.287 0.020 . 1 . . . . 40 MET H . 16698 2 82 . 1 1 47 47 MET N N 15 122.862 0.100 . 1 . . . . 40 MET N . 16698 2 83 . 1 1 48 48 ALA H H 1 8.277 0.020 . 1 . . . . 41 ALA H . 16698 2 84 . 1 1 48 48 ALA N N 15 125.441 0.100 . 1 . . . . 41 ALA N . 16698 2 85 . 1 1 49 49 SER H H 1 8.28 0.020 . 1 . . . . 42 SER H . 16698 2 86 . 1 1 49 49 SER N N 15 116.655 0.100 . 1 . . . . 42 SER N . 16698 2 87 . 1 1 52 52 SER H H 1 8.436 0.020 . 1 . . . . 45 SER H . 16698 2 88 . 1 1 52 52 SER N N 15 116.184 0.100 . 1 . . . . 45 SER N . 16698 2 89 . 1 1 53 53 THR H H 1 8.183 0.020 . 1 . . . . 46 THR H . 16698 2 90 . 1 1 53 53 THR N N 15 118.022 0.100 . 1 . . . . 46 THR N . 16698 2 91 . 1 1 55 55 GLU H H 1 8.463 0.020 . 1 . . . . 48 GLU H . 16698 2 92 . 1 1 55 55 GLU N N 15 122.734 0.100 . 1 . . . . 48 GLU N . 16698 2 93 . 1 1 57 57 SER H H 1 8.464 0.020 . 1 . . . . 50 SER H . 16698 2 94 . 1 1 57 57 SER N N 15 117.612 0.100 . 1 . . . . 50 SER N . 16698 2 95 . 1 1 59 59 ASP H H 1 8.372 0.020 . 1 . . . . 52 ASP H . 16698 2 96 . 1 1 59 59 ASP N N 15 120.001 0.100 . 1 . . . . 52 ASP N . 16698 2 97 . 1 1 60 60 VAL H H 1 8.072 0.020 . 1 . . . . 53 VAL H . 16698 2 98 . 1 1 60 60 VAL N N 15 120.283 0.100 . 1 . . . . 53 VAL N . 16698 2 99 . 1 1 61 61 SER H H 1 8.39 0.020 . 1 . . . . 54 SER H . 16698 2 100 . 1 1 61 61 SER N N 15 118.811 0.100 . 1 . . . . 54 SER N . 16698 2 101 . 1 1 62 62 ALA H H 1 8.287 0.020 . 1 . . . . 55 ALA H . 16698 2 102 . 1 1 62 62 ALA N N 15 125.757 0.100 . 1 . . . . 55 ALA N . 16698 2 103 . 1 1 63 63 SER H H 1 8.273 0.020 . 1 . . . . 56 SER H . 16698 2 104 . 1 1 63 63 SER N N 15 114.520 0.100 . 1 . . . . 56 SER N . 16698 2 105 . 1 1 64 64 THR H H 1 8.14 0.020 . 1 . . . . 57 THR H . 16698 2 106 . 1 1 64 64 THR N N 15 115.187 0.100 . 1 . . . . 57 THR N . 16698 2 107 . 1 1 65 65 SER H H 1 8.272 0.020 . 1 . . . . 58 SER H . 16698 2 108 . 1 1 65 65 SER N N 15 117.639 0.100 . 1 . . . . 58 SER N . 16698 2 109 . 1 1 66 66 ASN H H 1 8.453 0.020 . 1 . . . . 59 ASN H . 16698 2 110 . 1 1 66 66 ASN N N 15 120.681 0.100 . 1 . . . . 59 ASN N . 16698 2 111 . 1 1 67 67 LEU H H 1 8.084 0.020 . 1 . . . . 60 LEU H . 16698 2 112 . 1 1 67 67 LEU N N 15 121.856 0.100 . 1 . . . . 60 LEU N . 16698 2 113 . 1 1 68 68 LYS H H 1 8.225 0.020 . 1 . . . . 61 LYS H . 16698 2 114 . 1 1 68 68 LYS N N 15 121.490 0.100 . 1 . . . . 61 LYS N . 16698 2 115 . 1 1 69 69 ARG H H 1 8.229 0.020 . 1 . . . . 62 ARG H . 16698 2 116 . 1 1 69 69 ARG N N 15 121.749 0.100 . 1 . . . . 62 ARG N . 16698 2 117 . 1 1 70 70 GLU H H 1 8.385 0.020 . 1 . . . . 63 GLU H . 16698 2 118 . 1 1 70 70 GLU N N 15 121.280 0.100 . 1 . . . . 63 GLU N . 16698 2 119 . 1 1 71 71 ARG H H 1 8.402 0.020 . 1 . . . . 64 ARG H . 16698 2 120 . 1 1 71 71 ARG N N 15 122.481 0.100 . 1 . . . . 64 ARG N . 16698 2 121 . 1 1 72 72 GLN H H 1 8.456 0.020 . 1 . . . . 65 GLN H . 16698 2 122 . 1 1 72 72 GLN N N 15 121.744 0.100 . 1 . . . . 65 GLN N . 16698 2 123 . 1 1 73 73 ARG H H 1 8.368 0.020 . 1 . . . . 66 ARG H . 16698 2 124 . 1 1 73 73 ARG N N 15 121.745 0.100 . 1 . . . . 66 ARG N . 16698 2 125 . 1 1 74 74 SER H H 1 8.341 0.020 . 1 . . . . 67 SER H . 16698 2 126 . 1 1 74 74 SER N N 15 116.355 0.100 . 1 . . . . 67 SER N . 16698 2 127 . 1 1 76 76 ILE H H 1 8.144 0.020 . 1 . . . . 69 ILE H . 16698 2 128 . 1 1 76 76 ILE N N 15 120.480 0.100 . 1 . . . . 69 ILE N . 16698 2 129 . 1 1 77 77 THR H H 1 7.98 0.020 . 1 . . . . 70 THR H . 16698 2 130 . 1 1 77 77 THR N N 15 117.214 0.100 . 1 . . . . 70 THR N . 16698 2 131 . 1 1 78 78 TRP H H 1 8.078 0.020 . 1 . . . . 71 TRP H . 16698 2 132 . 1 1 78 78 TRP N N 15 122.933 0.100 . 1 . . . . 71 TRP N . 16698 2 133 . 1 1 79 79 GLU H H 1 8.313 0.020 . 1 . . . . 72 GLU H . 16698 2 134 . 1 1 79 79 GLU N N 15 121.813 0.100 . 1 . . . . 72 GLU N . 16698 2 135 . 1 1 80 80 HIS H H 1 8.267 0.020 . 1 . . . . 73 HIS H . 16698 2 136 . 1 1 80 80 HIS N N 15 119.117 0.100 . 1 . . . . 73 HIS N . 16698 2 137 . 1 1 81 81 GLN H H 1 8.185 0.020 . 1 . . . . 74 GLN H . 16698 2 138 . 1 1 81 81 GLN N N 15 121.832 0.100 . 1 . . . . 74 GLN N . 16698 2 139 . 1 1 85 85 SER H H 1 8.078 0.020 . 1 . . . . 78 SER H . 16698 2 140 . 1 1 85 85 SER N N 15 115.623 0.100 . 1 . . . . 78 SER N . 16698 2 141 . 1 1 86 86 ARG H H 1 8.219 0.020 . 1 . . . . 79 ARG H . 16698 2 142 . 1 1 86 86 ARG N N 15 122.566 0.100 . 1 . . . . 79 ARG N . 16698 2 143 . 1 1 87 87 VAL H H 1 7.96 0.020 . 1 . . . . 80 VAL H . 16698 2 144 . 1 1 87 87 VAL N N 15 120.114 0.100 . 1 . . . . 80 VAL N . 16698 2 145 . 1 1 88 88 TYR H H 1 8.267 0.020 . 1 . . . . 81 TYR H . 16698 2 146 . 1 1 88 88 TYR N N 15 124.295 0.100 . 1 . . . . 81 TYR N . 16698 2 147 . 1 1 89 89 ARG H H 1 8.094 0.020 . 1 . . . . 82 ARG H . 16698 2 148 . 1 1 89 89 ARG N N 15 123.623 0.100 . 1 . . . . 82 ARG N . 16698 2 149 . 1 1 90 90 SER H H 1 8.315 0.020 . 1 . . . . 83 SER H . 16698 2 150 . 1 1 90 90 SER N N 15 118.777 0.100 . 1 . . . . 83 SER N . 16698 2 151 . 1 1 92 92 SER H H 1 8.447 0.020 . 1 . . . . 85 SER H . 16698 2 152 . 1 1 92 92 SER N N 15 118.487 0.100 . 1 . . . . 85 SER N . 16698 2 153 . 1 1 94 94 MET H H 1 8.318 0.020 . 1 . . . . 87 MET H . 16698 2 154 . 1 1 94 94 MET N N 15 119.964 0.100 . 1 . . . . 87 MET N . 16698 2 155 . 1 1 95 95 ARG H H 1 8.184 0.020 . 1 . . . . 88 ARG H . 16698 2 156 . 1 1 95 95 ARG N N 15 120.460 0.100 . 1 . . . . 88 ARG N . 16698 2 157 . 1 1 96 96 PHE H H 1 8.27 0.020 . 1 . . . . 89 PHE H . 16698 2 158 . 1 1 96 96 PHE N N 15 120.639 0.100 . 1 . . . . 89 PHE N . 16698 2 159 . 1 1 97 97 GLY H H 1 8.335 0.020 . 1 . . . . 90 GLY H . 16698 2 160 . 1 1 97 97 GLY N N 15 109.937 0.100 . 1 . . . . 90 GLY N . 16698 2 161 . 1 1 98 98 LYS H H 1 8.19 0.020 . 1 . . . . 91 LYS H . 16698 2 162 . 1 1 98 98 LYS N N 15 120.706 0.100 . 1 . . . . 91 LYS N . 16698 2 163 . 1 1 99 99 ARG H H 1 8.459 0.020 . 1 . . . . 92 ARG H . 16698 2 164 . 1 1 99 99 ARG N N 15 123.873 0.100 . 1 . . . . 92 ARG N . 16698 2 165 . 1 1 101 101 ARG H H 1 8.473 0.020 . 1 . . . . 94 ARG H . 16698 2 166 . 1 1 101 101 ARG N N 15 121.785 0.100 . 1 . . . . 94 ARG N . 16698 2 167 . 1 1 102 102 ILE H H 1 8.238 0.020 . 1 . . . . 95 ILE H . 16698 2 168 . 1 1 102 102 ILE N N 15 122.345 0.100 . 1 . . . . 95 ILE N . 16698 2 169 . 1 1 103 103 SER H H 1 8.461 0.020 . 1 . . . . 96 SER H . 16698 2 170 . 1 1 103 103 SER N N 15 120.216 0.100 . 1 . . . . 96 SER N . 16698 2 171 . 1 1 104 104 SER H H 1 8.377 0.020 . 1 . . . . 97 SER H . 16698 2 172 . 1 1 104 104 SER N N 15 118.487 0.100 . 1 . . . . 97 SER N . 16698 2 173 . 1 1 105 105 ASN H H 1 8.508 0.020 . 1 . . . . 98 ASN H . 16698 2 174 . 1 1 105 105 ASN N N 15 120.733 0.100 . 1 . . . . 98 ASN N . 16698 2 175 . 1 1 106 106 SER H H 1 8.347 0.020 . 1 . . . . 99 SER H . 16698 2 176 . 1 1 106 106 SER N N 15 116.458 0.100 . 1 . . . . 99 SER N . 16698 2 177 . 1 1 107 107 THR H H 1 8.247 0.020 . 1 . . . . 100 THR H . 16698 2 178 . 1 1 107 107 THR N N 15 115.495 0.100 . 1 . . . . 100 THR N . 16698 2 179 . 1 1 108 108 SER H H 1 8.319 0.020 . 1 . . . . 101 SER H . 16698 2 180 . 1 1 108 108 SER N N 15 118.148 0.100 . 1 . . . . 101 SER N . 16698 2 181 . 1 1 109 109 ARG H H 1 8.4 0.020 . 1 . . . . 102 ARG H . 16698 2 182 . 1 1 109 109 ARG N N 15 123.269 0.100 . 1 . . . . 102 ARG N . 16698 2 183 . 1 1 110 110 SER H H 1 8.371 0.020 . 1 . . . . 103 SER H . 16698 2 184 . 1 1 110 110 SER N N 15 117.426 0.100 . 1 . . . . 103 SER N . 16698 2 185 . 1 1 111 111 CYS H H 1 8.305 0.020 . 1 . . . . 104 CYS H . 16698 2 186 . 1 1 111 111 CYS N N 15 121.046 0.100 . 1 . . . . 104 CYS N . 16698 2 187 . 1 1 112 112 LYS H H 1 8.409 0.020 . 1 . . . . 105 LYS H . 16698 2 188 . 1 1 112 112 LYS N N 15 123.467 0.100 . 1 . . . . 105 LYS N . 16698 2 189 . 1 1 113 113 THR H H 1 8.118 0.020 . 1 . . . . 106 THR H . 16698 2 190 . 1 1 113 113 THR N N 15 115.060 0.100 . 1 . . . . 106 THR N . 16698 2 191 . 1 1 114 114 SER H H 1 8.544 0.020 . 1 . . . . 107 SER H . 16698 2 192 . 1 1 114 114 SER N N 15 118.992 0.100 . 1 . . . . 107 SER N . 16698 2 193 . 1 1 115 115 TRP H H 1 8.492 0.020 . 1 . . . . 108 TRP H . 16698 2 194 . 1 1 115 115 TRP N N 15 123.804 0.100 . 1 . . . . 108 TRP N . 16698 2 195 . 1 1 116 116 ALA H H 1 8.128 0.020 . 1 . . . . 109 ALA H . 16698 2 196 . 1 1 116 116 ALA N N 15 122.432 0.100 . 1 . . . . 109 ALA N . 16698 2 197 . 1 1 117 117 ASP H H 1 7.972 0.020 . 1 . . . . 110 ASP H . 16698 2 198 . 1 1 117 117 ASP N N 15 118.298 0.100 . 1 . . . . 110 ASP N . 16698 2 199 . 1 1 118 118 ARG H H 1 8.011 0.020 . 1 . . . . 111 ARG H . 16698 2 200 . 1 1 118 118 ARG N N 15 120.743 0.100 . 1 . . . . 111 ARG N . 16698 2 201 . 1 1 119 119 VAL H H 1 8.036 0.020 . 1 . . . . 112 VAL H . 16698 2 202 . 1 1 119 119 VAL N N 15 120.355 0.100 . 1 . . . . 112 VAL N . 16698 2 203 . 1 1 120 120 ARG H H 1 8.045 0.020 . 1 . . . . 113 ARG H . 16698 2 204 . 1 1 120 120 ARG N N 15 122.719 0.100 . 1 . . . . 113 ARG N . 16698 2 205 . 1 1 121 121 GLU H H 1 8.289 0.020 . 1 . . . . 114 GLU H . 16698 2 206 . 1 1 121 121 GLU N N 15 120.913 0.100 . 1 . . . . 114 GLU N . 16698 2 207 . 1 1 122 122 ALA H H 1 8.167 0.020 . 1 . . . . 115 ALA H . 16698 2 208 . 1 1 122 122 ALA N N 15 123.517 0.100 . 1 . . . . 115 ALA N . 16698 2 209 . 1 1 123 123 ALA H H 1 8.094 0.020 . 1 . . . . 116 ALA H . 16698 2 210 . 1 1 123 123 ALA N N 15 121.663 0.100 . 1 . . . . 116 ALA N . 16698 2 211 . 1 1 124 124 ALA H H 1 8.015 0.020 . 1 . . . . 117 ALA H . 16698 2 212 . 1 1 124 124 ALA N N 15 121.707 0.100 . 1 . . . . 117 ALA N . 16698 2 213 . 1 1 125 125 GLN H H 1 8.077 0.020 . 1 . . . . 118 GLN H . 16698 2 214 . 1 1 125 125 GLN N N 15 118.114 0.100 . 1 . . . . 118 GLN N . 16698 2 215 . 1 1 126 126 ARG H H 1 8.083 0.020 . 1 . . . . 119 ARG H . 16698 2 216 . 1 1 126 126 ARG N N 15 120.534 0.100 . 1 . . . . 119 ARG N . 16698 2 217 . 1 1 127 127 ARG H H 1 8.087 0.020 . 1 . . . . 120 ARG H . 16698 2 218 . 1 1 127 127 ARG N N 15 122.176 0.100 . 1 . . . . 120 ARG N . 16698 2 219 . 1 1 129 129 GLU H H 1 8.116 0.020 . 1 . . . . 122 GLU H . 16698 2 220 . 1 1 129 129 GLU N N 15 120.656 0.100 . 1 . . . . 122 GLU N . 16698 2 stop_ save_