data_7435 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7435 _Entry.Title ; HVS ORF57 8-120 backbone assignment, in complex with REF2-I 54-155. ; _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. . 7435 2 Alexander Golovanov . P. . 7435 3 Stuart Wilson . A. . 7435 4 Guillaume Hautbergue . M. . 7435 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' . 7435 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'REF ICP27 HSV-1' . 7435 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7435 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 104 7435 '1H chemical shifts' 104 7435 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 . 7435 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' 7435 BMRB 16698 'REF 54-155 in free form' 7435 PDB 2F3J 'REF in free form' 7435 PDB 2KT5 'BMRB Entry Tracking System' 7435 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7435 _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. . 7435 1 2 Guillaume Hautbergue . M. . 7435 1 3 Priti Kalra . . . 7435 1 4 Brian Jackson . R. . 7435 1 5 Adrian Whitehouse . . . 7435 1 6 Stuart Wilson . A. . 7435 1 7 Alexander Golovanov . P. . 7435 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7435 _Assembly.ID 1 _Assembly.Name 'HVS ORF57/REF2-I complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 REF_54-155 1 $REF_54-155 A . yes native no no . . . 7435 1 2 ORF57_8-120 2 $ORF57_8-120 B . yes native no no . . . 7435 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_REF_54-155 _Entity.Sf_category entity _Entity.Sf_framecode REF_54-155 _Entity.Entry_ID 7435 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name REF_54-155 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASMTGGQQMGRDPDKWQHD LFDSGCGGGEGVETGAKLLV SNLDFGVSDADIQELFAEFG TLKKAAVDYDRSGRSLGTAD VHFERRADALKAMKQYKGVP LDGRPMDIQLVASQIDLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 54-155 are correctly numbered for wild type sequence' _Entity.Polymer_author_seq_details ; Construct contains the following non-REF sequences: N-terminal T7 tag: MASMTGGQQMGRDP (assigned residue numbers 40-53) C-terminal His tag: LEHHHHHH (assigned residue numbers 156-163) ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'REF fragment containing stable RRM domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13596.237 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 16683 . REF_54-155 . . . . . 100.00 124 100.00 100.00 2.65e-84 . . . . 7435 1 2 no BMRB 16697 . REF_54-155 . . . . . 100.00 124 100.00 100.00 2.65e-84 . . . . 7435 1 3 no BMRB 17693 . RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 . . . . . 100.00 124 100.00 100.00 2.65e-84 . . . . 7435 1 4 no PDB 2KT5 . "Rrm Domain Of Mrna Export Adaptor Ref2-I Bound To Hsv-1 Icp27 Peptide" . . . . . 100.00 124 100.00 100.00 2.65e-84 . . . . 7435 1 5 no PDB 2YKA . "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" . . . . . 99.19 124 100.00 100.00 1.81e-83 . . . . 7435 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 40 MET . 7435 1 2 41 ALA . 7435 1 3 42 SER . 7435 1 4 43 MET . 7435 1 5 44 THR . 7435 1 6 45 GLY . 7435 1 7 46 GLY . 7435 1 8 47 GLN . 7435 1 9 48 GLN . 7435 1 10 49 MET . 7435 1 11 50 GLY . 7435 1 12 51 ARG . 7435 1 13 52 ASP . 7435 1 14 53 PRO . 7435 1 15 54 ASP . 7435 1 16 55 LYS . 7435 1 17 56 TRP . 7435 1 18 57 GLN . 7435 1 19 58 HIS . 7435 1 20 59 ASP . 7435 1 21 60 LEU . 7435 1 22 61 PHE . 7435 1 23 62 ASP . 7435 1 24 63 SER . 7435 1 25 64 GLY . 7435 1 26 65 CYS . 7435 1 27 66 GLY . 7435 1 28 67 GLY . 7435 1 29 68 GLY . 7435 1 30 69 GLU . 7435 1 31 70 GLY . 7435 1 32 71 VAL . 7435 1 33 72 GLU . 7435 1 34 73 THR . 7435 1 35 74 GLY . 7435 1 36 75 ALA . 7435 1 37 76 LYS . 7435 1 38 77 LEU . 7435 1 39 78 LEU . 7435 1 40 79 VAL . 7435 1 41 80 SER . 7435 1 42 81 ASN . 7435 1 43 82 LEU . 7435 1 44 83 ASP . 7435 1 45 84 PHE . 7435 1 46 85 GLY . 7435 1 47 86 VAL . 7435 1 48 87 SER . 7435 1 49 88 ASP . 7435 1 50 89 ALA . 7435 1 51 90 ASP . 7435 1 52 91 ILE . 7435 1 53 92 GLN . 7435 1 54 93 GLU . 7435 1 55 94 LEU . 7435 1 56 95 PHE . 7435 1 57 96 ALA . 7435 1 58 97 GLU . 7435 1 59 98 PHE . 7435 1 60 99 GLY . 7435 1 61 100 THR . 7435 1 62 101 LEU . 7435 1 63 102 LYS . 7435 1 64 103 LYS . 7435 1 65 104 ALA . 7435 1 66 105 ALA . 7435 1 67 106 VAL . 7435 1 68 107 ASP . 7435 1 69 108 TYR . 7435 1 70 109 ASP . 7435 1 71 110 ARG . 7435 1 72 111 SER . 7435 1 73 112 GLY . 7435 1 74 113 ARG . 7435 1 75 114 SER . 7435 1 76 115 LEU . 7435 1 77 116 GLY . 7435 1 78 117 THR . 7435 1 79 118 ALA . 7435 1 80 119 ASP . 7435 1 81 120 VAL . 7435 1 82 121 HIS . 7435 1 83 122 PHE . 7435 1 84 123 GLU . 7435 1 85 124 ARG . 7435 1 86 125 ARG . 7435 1 87 126 ALA . 7435 1 88 127 ASP . 7435 1 89 128 ALA . 7435 1 90 129 LEU . 7435 1 91 130 LYS . 7435 1 92 131 ALA . 7435 1 93 132 MET . 7435 1 94 133 LYS . 7435 1 95 134 GLN . 7435 1 96 135 TYR . 7435 1 97 136 LYS . 7435 1 98 137 GLY . 7435 1 99 138 VAL . 7435 1 100 139 PRO . 7435 1 101 140 LEU . 7435 1 102 141 ASP . 7435 1 103 142 GLY . 7435 1 104 143 ARG . 7435 1 105 144 PRO . 7435 1 106 145 MET . 7435 1 107 146 ASP . 7435 1 108 147 ILE . 7435 1 109 148 GLN . 7435 1 110 149 LEU . 7435 1 111 150 VAL . 7435 1 112 151 ALA . 7435 1 113 152 SER . 7435 1 114 153 GLN . 7435 1 115 154 ILE . 7435 1 116 155 ASP . 7435 1 117 156 LEU . 7435 1 118 157 GLU . 7435 1 119 158 HIS . 7435 1 120 159 HIS . 7435 1 121 160 HIS . 7435 1 122 161 HIS . 7435 1 123 162 HIS . 7435 1 124 163 HIS . 7435 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 7435 1 . ALA 2 2 7435 1 . SER 3 3 7435 1 . MET 4 4 7435 1 . THR 5 5 7435 1 . GLY 6 6 7435 1 . GLY 7 7 7435 1 . GLN 8 8 7435 1 . GLN 9 9 7435 1 . MET 10 10 7435 1 . GLY 11 11 7435 1 . ARG 12 12 7435 1 . ASP 13 13 7435 1 . PRO 14 14 7435 1 . ASP 15 15 7435 1 . LYS 16 16 7435 1 . TRP 17 17 7435 1 . GLN 18 18 7435 1 . HIS 19 19 7435 1 . ASP 20 20 7435 1 . LEU 21 21 7435 1 . PHE 22 22 7435 1 . ASP 23 23 7435 1 . SER 24 24 7435 1 . GLY 25 25 7435 1 . CYS 26 26 7435 1 . GLY 27 27 7435 1 . GLY 28 28 7435 1 . GLY 29 29 7435 1 . GLU 30 30 7435 1 . GLY 31 31 7435 1 . VAL 32 32 7435 1 . GLU 33 33 7435 1 . THR 34 34 7435 1 . GLY 35 35 7435 1 . ALA 36 36 7435 1 . LYS 37 37 7435 1 . LEU 38 38 7435 1 . LEU 39 39 7435 1 . VAL 40 40 7435 1 . SER 41 41 7435 1 . ASN 42 42 7435 1 . LEU 43 43 7435 1 . ASP 44 44 7435 1 . PHE 45 45 7435 1 . GLY 46 46 7435 1 . VAL 47 47 7435 1 . SER 48 48 7435 1 . ASP 49 49 7435 1 . ALA 50 50 7435 1 . ASP 51 51 7435 1 . ILE 52 52 7435 1 . GLN 53 53 7435 1 . GLU 54 54 7435 1 . LEU 55 55 7435 1 . PHE 56 56 7435 1 . ALA 57 57 7435 1 . GLU 58 58 7435 1 . PHE 59 59 7435 1 . GLY 60 60 7435 1 . THR 61 61 7435 1 . LEU 62 62 7435 1 . LYS 63 63 7435 1 . LYS 64 64 7435 1 . ALA 65 65 7435 1 . ALA 66 66 7435 1 . VAL 67 67 7435 1 . ASP 68 68 7435 1 . TYR 69 69 7435 1 . ASP 70 70 7435 1 . ARG 71 71 7435 1 . SER 72 72 7435 1 . GLY 73 73 7435 1 . ARG 74 74 7435 1 . SER 75 75 7435 1 . LEU 76 76 7435 1 . GLY 77 77 7435 1 . THR 78 78 7435 1 . ALA 79 79 7435 1 . ASP 80 80 7435 1 . VAL 81 81 7435 1 . HIS 82 82 7435 1 . PHE 83 83 7435 1 . GLU 84 84 7435 1 . ARG 85 85 7435 1 . ARG 86 86 7435 1 . ALA 87 87 7435 1 . ASP 88 88 7435 1 . ALA 89 89 7435 1 . LEU 90 90 7435 1 . LYS 91 91 7435 1 . ALA 92 92 7435 1 . MET 93 93 7435 1 . LYS 94 94 7435 1 . GLN 95 95 7435 1 . TYR 96 96 7435 1 . LYS 97 97 7435 1 . GLY 98 98 7435 1 . VAL 99 99 7435 1 . PRO 100 100 7435 1 . LEU 101 101 7435 1 . ASP 102 102 7435 1 . GLY 103 103 7435 1 . ARG 104 104 7435 1 . PRO 105 105 7435 1 . MET 106 106 7435 1 . ASP 107 107 7435 1 . ILE 108 108 7435 1 . GLN 109 109 7435 1 . LEU 110 110 7435 1 . VAL 111 111 7435 1 . ALA 112 112 7435 1 . SER 113 113 7435 1 . GLN 114 114 7435 1 . ILE 115 115 7435 1 . ASP 116 116 7435 1 . LEU 117 117 7435 1 . GLU 118 118 7435 1 . HIS 119 119 7435 1 . HIS 120 120 7435 1 . HIS 121 121 7435 1 . HIS 122 122 7435 1 . HIS 123 123 7435 1 . HIS 124 124 7435 1 stop_ save_ save_ORF57_8-120 _Entity.Sf_category entity _Entity.Sf_framecode ORF57_8-120 _Entity.Entry_ID 7435 _Entity.ID 2 _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 MKSDVTMASPPSTPEPSLDV 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 . _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 2015-01-28 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 BMRB 16698 . ORF57_8-120 . . . . . 100.00 135 99.26 99.26 6.13e-89 . . . . 7435 2 2 no EMBL CAA45680 . "unnamed protein product [Saimiriine herpesvirus 2]" . . . . . 83.70 417 99.12 99.12 2.08e-67 . . . . 7435 2 3 no EMBL CAC84353 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 83.70 427 99.12 99.12 8.57e-68 . . . . 7435 2 4 no EMBL CAC84354 . "hypothetical protein [Saimiriine herpesvirus 2]" . . . . . 64.44 385 98.85 98.85 2.40e-49 . . . . 7435 2 5 no GB AAA46125 . "transactivator, partial [Saimiriine herpesvirus 2]" . . . . . 83.70 412 99.12 99.12 1.45e-67 . . . . 7435 2 6 no GB AAA66558 . "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" . . . . . 64.44 384 98.85 98.85 4.34e-49 . . . . 7435 2 7 no PIR WMBEHA . "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" . . . . . 83.70 417 99.12 99.12 2.08e-67 . . . . 7435 2 8 no REF NP_040259 . "unnamed protein product [Saimiriine herpesvirus 2]" . . . . . 83.70 417 99.12 99.12 2.08e-67 . . . . 7435 2 9 no SP P13199 . "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " . . . . . 83.70 417 99.12 99.12 2.08e-67 . . . . 7435 2 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 . 7435 2 2 -5 ALA . 7435 2 3 -4 SER . 7435 2 4 -3 MET . 7435 2 5 -2 THR . 7435 2 6 -1 GLY . 7435 2 7 0 GLY . 7435 2 8 1 GLN . 7435 2 9 2 GLN . 7435 2 10 3 MET . 7435 2 11 4 GLY . 7435 2 12 5 ARG . 7435 2 13 6 ASP . 7435 2 14 7 PRO . 7435 2 15 8 GLY . 7435 2 16 9 ILE . 7435 2 17 10 SER . 7435 2 18 11 SER . 7435 2 19 12 ASP . 7435 2 20 13 ASP . 7435 2 21 14 ASP . 7435 2 22 15 PHE . 7435 2 23 16 ASP . 7435 2 24 17 SER . 7435 2 25 18 SER . 7435 2 26 19 ASP . 7435 2 27 20 SER . 7435 2 28 21 SER . 7435 2 29 22 SER . 7435 2 30 23 ASP . 7435 2 31 24 GLU . 7435 2 32 25 GLU . 7435 2 33 26 GLU . 7435 2 34 27 SER . 7435 2 35 28 ASP . 7435 2 36 29 THR . 7435 2 37 30 SER . 7435 2 38 31 PRO . 7435 2 39 32 GLN . 7435 2 40 33 ILE . 7435 2 41 34 MET . 7435 2 42 35 LYS . 7435 2 43 36 SER . 7435 2 44 37 ASP . 7435 2 45 38 VAL . 7435 2 46 39 THR . 7435 2 47 40 MET . 7435 2 48 41 ALA . 7435 2 49 42 SER . 7435 2 50 43 PRO . 7435 2 51 44 PRO . 7435 2 52 45 SER . 7435 2 53 46 THR . 7435 2 54 47 PRO . 7435 2 55 48 GLU . 7435 2 56 49 PRO . 7435 2 57 50 SER . 7435 2 58 51 LEU . 7435 2 59 52 ASP . 7435 2 60 53 VAL . 7435 2 61 54 SER . 7435 2 62 55 ALA . 7435 2 63 56 SER . 7435 2 64 57 THR . 7435 2 65 58 SER . 7435 2 66 59 ASN . 7435 2 67 60 LEU . 7435 2 68 61 LYS . 7435 2 69 62 ARG . 7435 2 70 63 GLU . 7435 2 71 64 ARG . 7435 2 72 65 GLN . 7435 2 73 66 ARG . 7435 2 74 67 SER . 7435 2 75 68 PRO . 7435 2 76 69 ILE . 7435 2 77 70 THR . 7435 2 78 71 TRP . 7435 2 79 72 GLU . 7435 2 80 73 HIS . 7435 2 81 74 GLN . 7435 2 82 75 SER . 7435 2 83 76 PRO . 7435 2 84 77 LEU . 7435 2 85 78 SER . 7435 2 86 79 ARG . 7435 2 87 80 VAL . 7435 2 88 81 TYR . 7435 2 89 82 ARG . 7435 2 90 83 SER . 7435 2 91 84 PRO . 7435 2 92 85 SER . 7435 2 93 86 PRO . 7435 2 94 87 MET . 7435 2 95 88 ARG . 7435 2 96 89 PHE . 7435 2 97 90 GLY . 7435 2 98 91 LYS . 7435 2 99 92 ARG . 7435 2 100 93 PRO . 7435 2 101 94 ARG . 7435 2 102 95 ILE . 7435 2 103 96 SER . 7435 2 104 97 SER . 7435 2 105 98 ASN . 7435 2 106 99 SER . 7435 2 107 100 THR . 7435 2 108 101 SER . 7435 2 109 102 ARG . 7435 2 110 103 SER . 7435 2 111 104 CYS . 7435 2 112 105 LYS . 7435 2 113 106 THR . 7435 2 114 107 SER . 7435 2 115 108 TRP . 7435 2 116 109 ALA . 7435 2 117 110 ASP . 7435 2 118 111 ARG . 7435 2 119 112 VAL . 7435 2 120 113 ARG . 7435 2 121 114 GLU . 7435 2 122 115 ALA . 7435 2 123 116 ALA . 7435 2 124 117 ALA . 7435 2 125 118 GLN . 7435 2 126 119 ARG . 7435 2 127 120 ARG . 7435 2 128 121 LEU . 7435 2 129 122 GLU . 7435 2 130 123 HIS . 7435 2 131 124 HIS . 7435 2 132 125 HIS . 7435 2 133 126 HIS . 7435 2 134 127 HIS . 7435 2 135 128 HIS . 7435 2 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 7435 2 . ALA 2 2 7435 2 . SER 3 3 7435 2 . MET 4 4 7435 2 . THR 5 5 7435 2 . GLY 6 6 7435 2 . GLY 7 7 7435 2 . GLN 8 8 7435 2 . GLN 9 9 7435 2 . MET 10 10 7435 2 . GLY 11 11 7435 2 . ARG 12 12 7435 2 . ASP 13 13 7435 2 . PRO 14 14 7435 2 . GLY 15 15 7435 2 . ILE 16 16 7435 2 . SER 17 17 7435 2 . SER 18 18 7435 2 . ASP 19 19 7435 2 . ASP 20 20 7435 2 . ASP 21 21 7435 2 . PHE 22 22 7435 2 . ASP 23 23 7435 2 . SER 24 24 7435 2 . SER 25 25 7435 2 . ASP 26 26 7435 2 . SER 27 27 7435 2 . SER 28 28 7435 2 . SER 29 29 7435 2 . ASP 30 30 7435 2 . GLU 31 31 7435 2 . GLU 32 32 7435 2 . GLU 33 33 7435 2 . SER 34 34 7435 2 . ASP 35 35 7435 2 . THR 36 36 7435 2 . SER 37 37 7435 2 . PRO 38 38 7435 2 . GLN 39 39 7435 2 . ILE 40 40 7435 2 . MET 41 41 7435 2 . LYS 42 42 7435 2 . SER 43 43 7435 2 . ASP 44 44 7435 2 . VAL 45 45 7435 2 . THR 46 46 7435 2 . MET 47 47 7435 2 . ALA 48 48 7435 2 . SER 49 49 7435 2 . PRO 50 50 7435 2 . PRO 51 51 7435 2 . SER 52 52 7435 2 . THR 53 53 7435 2 . PRO 54 54 7435 2 . GLU 55 55 7435 2 . PRO 56 56 7435 2 . SER 57 57 7435 2 . LEU 58 58 7435 2 . ASP 59 59 7435 2 . VAL 60 60 7435 2 . SER 61 61 7435 2 . ALA 62 62 7435 2 . SER 63 63 7435 2 . THR 64 64 7435 2 . SER 65 65 7435 2 . ASN 66 66 7435 2 . LEU 67 67 7435 2 . LYS 68 68 7435 2 . ARG 69 69 7435 2 . GLU 70 70 7435 2 . ARG 71 71 7435 2 . GLN 72 72 7435 2 . ARG 73 73 7435 2 . SER 74 74 7435 2 . PRO 75 75 7435 2 . ILE 76 76 7435 2 . THR 77 77 7435 2 . TRP 78 78 7435 2 . GLU 79 79 7435 2 . HIS 80 80 7435 2 . GLN 81 81 7435 2 . SER 82 82 7435 2 . PRO 83 83 7435 2 . LEU 84 84 7435 2 . SER 85 85 7435 2 . ARG 86 86 7435 2 . VAL 87 87 7435 2 . TYR 88 88 7435 2 . ARG 89 89 7435 2 . SER 90 90 7435 2 . PRO 91 91 7435 2 . SER 92 92 7435 2 . PRO 93 93 7435 2 . MET 94 94 7435 2 . ARG 95 95 7435 2 . PHE 96 96 7435 2 . GLY 97 97 7435 2 . LYS 98 98 7435 2 . ARG 99 99 7435 2 . PRO 100 100 7435 2 . ARG 101 101 7435 2 . ILE 102 102 7435 2 . SER 103 103 7435 2 . SER 104 104 7435 2 . ASN 105 105 7435 2 . SER 106 106 7435 2 . THR 107 107 7435 2 . SER 108 108 7435 2 . ARG 109 109 7435 2 . SER 110 110 7435 2 . CYS 111 111 7435 2 . LYS 112 112 7435 2 . THR 113 113 7435 2 . SER 114 114 7435 2 . TRP 115 115 7435 2 . ALA 116 116 7435 2 . ASP 117 117 7435 2 . ARG 118 118 7435 2 . VAL 119 119 7435 2 . ARG 120 120 7435 2 . GLU 121 121 7435 2 . ALA 122 122 7435 2 . ALA 123 123 7435 2 . ALA 124 124 7435 2 . GLN 125 125 7435 2 . ARG 126 126 7435 2 . ARG 127 127 7435 2 . LEU 128 128 7435 2 . GLU 129 129 7435 2 . HIS 130 130 7435 2 . HIS 131 131 7435 2 . HIS 132 132 7435 2 . HIS 133 133 7435 2 . HIS 134 134 7435 2 . HIS 135 135 7435 2 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 7435 _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 $REF_54-155 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 7435 1 2 2 $ORF57_8-120 . 10298 virus . 'Herpes simplex virus type 1' 'Human herpesvirus 1' . . Viruses . Simplexvirus 'Human herpesvirus 1' . . . . . . . . . . . . . . . . . . . . . 7435 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 7435 _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 $REF_54-155 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) RP' . . . . . . . . . . . . . . . pET24b . . . . . . 7435 1 2 2 $ORF57_8-120 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) RP' . . . . . . . . . . . . . . . pET24b . . . . . . 7435 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7435 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N ORF57 8-120 and unlabelled REF 54-155 (1:2)' _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]' . . 2 $ORF57_8-120 . . 1 . . mM 0.05 . . . 7435 1 2 'REF 54-155' 'natural abundance' . . 1 $REF_54-155 . . 2 . . mM 0.05 . . . 7435 1 3 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 7435 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 7435 1 5 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 7435 1 6 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 7435 1 7 2-mercaptoethanol 'natural abundance' . . . . . . 50 . . mM . . . . 7435 1 8 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 7435 1 9 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 7435 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 7435 _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 7435 1 pH 6.2 0.05 pH 7435 1 pressure 1 . atm 7435 1 temperature 288 0.1 K 7435 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 7435 _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 7435 2 pH 6.2 0.05 pH 7435 2 pressure 1 . atm 7435 2 temperature 303 0.1 K 7435 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7435 _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 . . 7435 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7435 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 7435 _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 7435 _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 7435 _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' . . 7435 1 2 700 Bruker 'Avance II+' . 700 'Used for carbon-detection spectra' . . 7435 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 7435 _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 . . . . . . . . . . . . . . . . 7435 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $600 . . . . . . . . . . . . . . . . 7435 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $600 . . . . . . . . . . . . . . . . 7435 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 7435 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 7435 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 7435 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 7435 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_ORF57+REF_303k _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ORF57+REF_303k _Assigned_chem_shift_list.Entry_ID 7435 _Assigned_chem_shift_list.ID 1 _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 bound to REF 54-155 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' . . . 7435 1 2 '3D 1H-15N NOESY' . . . 7435 1 3 '3D 1H-15N TOCSY' . . . 7435 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 . . 7435 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 . 2 2 5 5 THR H H 1 8.253 0.020 . 1 . . . . -2 THR H . 7435 1 2 . 2 2 5 5 THR N N 15 114.703 0.100 . 1 . . . . -2 THR N . 7435 1 3 . 2 2 6 6 GLY H H 1 8.475 0.020 . 1 . . . . -1 GLY H . 7435 1 4 . 2 2 6 6 GLY N N 15 111.392 0.100 . 1 . . . . -1 GLY N . 7435 1 5 . 2 2 7 7 GLY H H 1 8.344 0.020 . 1 . . . . 0 GLY H . 7435 1 6 . 2 2 7 7 GLY N N 15 108.749 0.100 . 1 . . . . 0 GLY N . 7435 1 7 . 2 2 8 8 GLN H H 1 8.335 0.020 . 1 . . . . 1 GLN H . 7435 1 8 . 2 2 8 8 GLN N N 15 119.886 0.100 . 1 . . . . 1 GLN N . 7435 1 9 . 2 2 9 9 GLN H H 1 8.53 0.020 . 1 . . . . 2 GLN H . 7435 1 10 . 2 2 9 9 GLN N N 15 121.520 0.100 . 1 . . . . 2 GLN N . 7435 1 11 . 2 2 10 10 MET H H 1 8.459 0.020 . 1 . . . . 3 MET H . 7435 1 12 . 2 2 10 10 MET N N 15 121.768 0.100 . 1 . . . . 3 MET N . 7435 1 13 . 2 2 11 11 GLY H H 1 8.462 0.020 . 1 . . . . 4 GLY H . 7435 1 14 . 2 2 11 11 GLY N N 15 110.223 0.100 . 1 . . . . 4 GLY N . 7435 1 15 . 2 2 12 12 ARG H H 1 8.129 0.020 . 1 . . . . 5 ARG H . 7435 1 16 . 2 2 12 12 ARG N N 15 120.342 0.100 . 1 . . . . 5 ARG N . 7435 1 17 . 2 2 13 13 ASP H H 1 8.461 0.020 . 1 . . . . 6 ASP H . 7435 1 18 . 2 2 13 13 ASP N N 15 123.825 0.100 . 1 . . . . 6 ASP N . 7435 1 19 . 2 2 15 15 GLY H H 1 8.594 0.020 . 1 . . . . 8 GLY H . 7435 1 20 . 2 2 15 15 GLY N N 15 108.565 0.100 . 1 . . . . 8 GLY N . 7435 1 21 . 2 2 16 16 ILE H H 1 7.821 0.020 . 1 . . . . 9 ILE H . 7435 1 22 . 2 2 16 16 ILE N N 15 119.643 0.100 . 1 . . . . 9 ILE N . 7435 1 23 . 2 2 17 17 SER H H 1 8.453 0.020 . 1 . . . . 10 SER H . 7435 1 24 . 2 2 17 17 SER N N 15 120.084 0.100 . 1 . . . . 10 SER N . 7435 1 25 . 2 2 18 18 SER H H 1 8.463 0.020 . 1 . . . . 11 SER H . 7435 1 26 . 2 2 18 18 SER N N 15 118.261 0.100 . 1 . . . . 11 SER N . 7435 1 27 . 2 2 19 19 ASP H H 1 8.422 0.020 . 1 . . . . 12 ASP H . 7435 1 28 . 2 2 19 19 ASP N N 15 122.485 0.100 . 1 . . . . 12 ASP N . 7435 1 29 . 2 2 20 20 ASP H H 1 8.187 0.020 . 1 . . . . 13 ASP H . 7435 1 30 . 2 2 20 20 ASP N N 15 120.090 0.100 . 1 . . . . 13 ASP N . 7435 1 31 . 2 2 21 21 ASP H H 1 8.177 0.020 . 1 . . . . 14 ASP H . 7435 1 32 . 2 2 21 21 ASP N N 15 120.312 0.100 . 1 . . . . 14 ASP N . 7435 1 33 . 2 2 22 22 PHE H H 1 8.091 0.020 . 1 . . . . 15 PHE H . 7435 1 34 . 2 2 22 22 PHE N N 15 120.498 0.100 . 1 . . . . 15 PHE N . 7435 1 35 . 2 2 23 23 ASP H H 1 8.327 0.020 . 1 . . . . 16 ASP H . 7435 1 36 . 2 2 23 23 ASP N N 15 122.320 0.100 . 1 . . . . 16 ASP N . 7435 1 37 . 2 2 24 24 SER H H 1 8.257 0.020 . 1 . . . . 17 SER H . 7435 1 38 . 2 2 24 24 SER N N 15 117.207 0.100 . 1 . . . . 17 SER N . 7435 1 39 . 2 2 25 25 SER H H 1 8.435 0.020 . 1 . . . . 18 SER H . 7435 1 40 . 2 2 25 25 SER N N 15 118.130 0.100 . 1 . . . . 18 SER N . 7435 1 41 . 2 2 26 26 ASP H H 1 8.358 0.020 . 1 . . . . 19 ASP H . 7435 1 42 . 2 2 26 26 ASP N N 15 122.355 0.100 . 1 . . . . 19 ASP N . 7435 1 43 . 2 2 27 27 SER H H 1 8.291 0.020 . 1 . . . . 20 SER H . 7435 1 44 . 2 2 27 27 SER N N 15 116.489 0.100 . 1 . . . . 20 SER N . 7435 1 45 . 2 2 28 28 SER H H 1 8.449 0.020 . 1 . . . . 21 SER H . 7435 1 46 . 2 2 28 28 SER N N 15 118.191 0.100 . 1 . . . . 21 SER N . 7435 1 47 . 2 2 29 29 SER H H 1 8.394 0.020 . 1 . . . . 22 SER H . 7435 1 48 . 2 2 29 29 SER N N 15 117.780 0.100 . 1 . . . . 22 SER N . 7435 1 49 . 2 2 30 30 ASP H H 1 8.387 0.020 . 1 . . . . 23 ASP H . 7435 1 50 . 2 2 30 30 ASP N N 15 122.640 0.100 . 1 . . . . 23 ASP N . 7435 1 51 . 2 2 31 31 GLU H H 1 8.317 0.020 . 1 . . . . 24 GLU H . 7435 1 52 . 2 2 31 31 GLU N N 15 120.797 0.100 . 1 . . . . 24 GLU N . 7435 1 53 . 2 2 32 32 GLU H H 1 8.397 0.020 . 1 . . . . 25 GLU H . 7435 1 54 . 2 2 32 32 GLU N N 15 121.813 0.100 . 1 . . . . 25 GLU N . 7435 1 55 . 2 2 33 33 GLU H H 1 8.477 0.020 . 1 . . . . 26 GLU H . 7435 1 56 . 2 2 33 33 GLU N N 15 122.355 0.100 . 1 . . . . 26 GLU N . 7435 1 57 . 2 2 34 34 SER H H 1 8.381 0.020 . 1 . . . . 27 SER H . 7435 1 58 . 2 2 34 34 SER N N 15 117.046 0.100 . 1 . . . . 27 SER N . 7435 1 59 . 2 2 35 35 ASP H H 1 8.425 0.020 . 1 . . . . 28 ASP H . 7435 1 60 . 2 2 35 35 ASP N N 15 122.489 0.100 . 1 . . . . 28 ASP N . 7435 1 61 . 2 2 36 36 THR H H 1 8.14 0.020 . 1 . . . . 29 THR H . 7435 1 62 . 2 2 36 36 THR N N 15 113.778 0.100 . 1 . . . . 29 THR N . 7435 1 63 . 2 2 37 37 SER H H 1 8.323 0.020 . 1 . . . . 30 SER H . 7435 1 64 . 2 2 37 37 SER N N 15 119.810 0.100 . 1 . . . . 30 SER N . 7435 1 65 . 2 2 39 39 GLN H H 1 8.446 0.020 . 1 . . . . 32 GLN H . 7435 1 66 . 2 2 39 39 GLN N N 15 120.381 0.100 . 1 . . . . 32 GLN N . 7435 1 67 . 2 2 40 40 ILE H H 1 8.117 0.020 . 1 . . . . 33 ILE H . 7435 1 68 . 2 2 40 40 ILE N N 15 122.025 0.100 . 1 . . . . 33 ILE N . 7435 1 69 . 2 2 41 41 MET H H 1 8.439 0.020 . 1 . . . . 34 MET H . 7435 1 70 . 2 2 41 41 MET N N 15 124.625 0.100 . 1 . . . . 34 MET N . 7435 1 71 . 2 2 42 42 LYS H H 1 8.364 0.020 . 1 . . . . 35 LYS H . 7435 1 72 . 2 2 42 42 LYS N N 15 123.335 0.100 . 1 . . . . 35 LYS N . 7435 1 73 . 2 2 43 43 SER H H 1 8.352 0.020 . 1 . . . . 36 SER H . 7435 1 74 . 2 2 43 43 SER N N 15 116.981 0.100 . 1 . . . . 36 SER N . 7435 1 75 . 2 2 44 44 ASP H H 1 8.499 0.020 . 1 . . . . 37 ASP H . 7435 1 76 . 2 2 44 44 ASP N N 15 122.633 0.100 . 1 . . . . 37 ASP N . 7435 1 77 . 2 2 45 45 VAL H H 1 8.093 0.020 . 1 . . . . 38 VAL H . 7435 1 78 . 2 2 45 45 VAL N N 15 119.627 0.100 . 1 . . . . 38 VAL N . 7435 1 79 . 2 2 46 46 THR H H 1 8.28 0.020 . 1 . . . . 39 THR H . 7435 1 80 . 2 2 46 46 THR N N 15 117.522 0.100 . 1 . . . . 39 THR N . 7435 1 81 . 2 2 47 47 MET H H 1 8.285 0.020 . 1 . . . . 40 MET H . 7435 1 82 . 2 2 47 47 MET N N 15 122.877 0.100 . 1 . . . . 40 MET N . 7435 1 83 . 2 2 48 48 ALA H H 1 8.274 0.020 . 1 . . . . 41 ALA H . 7435 1 84 . 2 2 48 48 ALA N N 15 125.471 0.100 . 1 . . . . 41 ALA N . 7435 1 85 . 2 2 49 49 SER H H 1 8.275 0.020 . 1 . . . . 42 SER H . 7435 1 86 . 2 2 49 49 SER N N 15 116.721 0.100 . 1 . . . . 42 SER N . 7435 1 87 . 2 2 52 52 SER H H 1 8.431 0.020 . 1 . . . . 45 SER H . 7435 1 88 . 2 2 52 52 SER N N 15 116.210 0.100 . 1 . . . . 45 SER N . 7435 1 89 . 2 2 53 53 THR H H 1 8.18 0.020 . 1 . . . . 46 THR H . 7435 1 90 . 2 2 53 53 THR N N 15 118.046 0.100 . 1 . . . . 46 THR N . 7435 1 91 . 2 2 55 55 GLU H H 1 8.46 0.020 . 1 . . . . 48 GLU H . 7435 1 92 . 2 2 55 55 GLU N N 15 122.747 0.100 . 1 . . . . 48 GLU N . 7435 1 93 . 2 2 57 57 SER H H 1 8.459 0.020 . 1 . . . . 50 SER H . 7435 1 94 . 2 2 57 57 SER N N 15 117.630 0.100 . 1 . . . . 50 SER N . 7435 1 95 . 2 2 59 59 ASP H H 1 8.364 0.020 . 1 . . . . 52 ASP H . 7435 1 96 . 2 2 59 59 ASP N N 15 119.990 0.100 . 1 . . . . 52 ASP N . 7435 1 97 . 2 2 60 60 VAL H H 1 8.067 0.020 . 1 . . . . 53 VAL H . 7435 1 98 . 2 2 60 60 VAL N N 15 120.280 0.100 . 1 . . . . 53 VAL N . 7435 1 99 . 2 2 61 61 SER H H 1 8.384 0.020 . 1 . . . . 54 SER H . 7435 1 100 . 2 2 61 61 SER N N 15 118.803 0.100 . 1 . . . . 54 SER N . 7435 1 101 . 2 2 62 62 ALA H H 1 8.279 0.020 . 1 . . . . 55 ALA H . 7435 1 102 . 2 2 62 62 ALA N N 15 125.752 0.100 . 1 . . . . 55 ALA N . 7435 1 103 . 2 2 63 63 SER H H 1 8.273 0.020 . 1 . . . . 56 SER H . 7435 1 104 . 2 2 63 63 SER N N 15 114.493 0.100 . 1 . . . . 56 SER N . 7435 1 105 . 2 2 64 64 THR H H 1 8.139 0.020 . 1 . . . . 57 THR H . 7435 1 106 . 2 2 64 64 THR N N 15 115.217 0.100 . 1 . . . . 57 THR N . 7435 1 107 . 2 2 65 65 SER H H 1 8.267 0.020 . 1 . . . . 58 SER H . 7435 1 108 . 2 2 65 65 SER N N 15 117.625 0.100 . 1 . . . . 58 SER N . 7435 1 109 . 2 2 66 66 ASN H H 1 8.447 0.020 . 1 . . . . 59 ASN H . 7435 1 110 . 2 2 66 66 ASN N N 15 120.750 0.100 . 1 . . . . 59 ASN N . 7435 1 111 . 2 2 67 67 LEU H H 1 8.077 0.020 . 1 . . . . 60 LEU H . 7435 1 112 . 2 2 67 67 LEU N N 15 121.889 0.100 . 1 . . . . 60 LEU N . 7435 1 113 . 2 2 68 68 LYS H H 1 8.22 0.020 . 1 . . . . 61 LYS H . 7435 1 114 . 2 2 68 68 LYS N N 15 121.477 0.100 . 1 . . . . 61 LYS N . 7435 1 115 . 2 2 69 69 ARG H H 1 8.223 0.020 . 1 . . . . 62 ARG H . 7435 1 116 . 2 2 69 69 ARG N N 15 121.778 0.100 . 1 . . . . 62 ARG N . 7435 1 117 . 2 2 70 70 GLU H H 1 8.381 0.020 . 1 . . . . 63 GLU H . 7435 1 118 . 2 2 70 70 GLU N N 15 121.324 0.100 . 1 . . . . 63 GLU N . 7435 1 119 . 2 2 71 71 ARG H H 1 8.4 0.020 . 1 . . . . 64 ARG H . 7435 1 120 . 2 2 71 71 ARG N N 15 122.534 0.100 . 1 . . . . 64 ARG N . 7435 1 121 . 2 2 72 72 GLN H H 1 8.448 0.020 . 1 . . . . 65 GLN H . 7435 1 122 . 2 2 72 72 GLN N N 15 121.767 0.100 . 1 . . . . 65 GLN N . 7435 1 123 . 2 2 73 73 ARG H H 1 8.366 0.020 . 1 . . . . 66 ARG H . 7435 1 124 . 2 2 73 73 ARG N N 15 121.710 0.100 . 1 . . . . 66 ARG N . 7435 1 125 . 2 2 74 74 SER H H 1 8.347 0.020 . 1 . . . . 67 SER H . 7435 1 126 . 2 2 74 74 SER N N 15 116.119 0.100 . 1 . . . . 67 SER N . 7435 1 127 . 2 2 76 76 ILE H H 1 8.14 0.020 . 1 . . . . 69 ILE H . 7435 1 128 . 2 2 76 76 ILE N N 15 120.489 0.100 . 1 . . . . 69 ILE N . 7435 1 129 . 2 2 77 77 THR H H 1 7.978 0.020 . 1 . . . . 70 THR H . 7435 1 130 . 2 2 77 77 THR N N 15 117.238 0.100 . 1 . . . . 70 THR N . 7435 1 131 . 2 2 78 78 TRP H H 1 8.076 0.020 . 1 . . . . 71 TRP H . 7435 1 132 . 2 2 78 78 TRP N N 15 122.932 0.100 . 1 . . . . 71 TRP N . 7435 1 133 . 2 2 79 79 GLU H H 1 8.308 0.020 . 1 . . . . 72 GLU H . 7435 1 134 . 2 2 79 79 GLU N N 15 121.831 0.100 . 1 . . . . 72 GLU N . 7435 1 135 . 2 2 80 80 HIS H H 1 8.371 0.020 . 1 . . . . 73 HIS H . 7435 1 136 . 2 2 80 80 HIS N N 15 118.751 0.100 . 1 . . . . 73 HIS N . 7435 1 137 . 2 2 81 81 GLN H H 1 8.191 0.020 . 1 . . . . 74 GLN H . 7435 1 138 . 2 2 81 81 GLN N N 15 121.931 0.100 . 1 . . . . 74 GLN N . 7435 1 139 . 2 2 85 85 SER H H 1 8.075 0.020 . 1 . . . . 78 SER H . 7435 1 140 . 2 2 85 85 SER N N 15 115.643 0.100 . 1 . . . . 78 SER N . 7435 1 141 . 2 2 86 86 ARG H H 1 8.223 0.020 . 1 . . . . 79 ARG H . 7435 1 142 . 2 2 86 86 ARG N N 15 122.684 0.100 . 1 . . . . 79 ARG N . 7435 1 143 . 2 2 87 87 VAL H H 1 7.958 0.020 . 1 . . . . 80 VAL H . 7435 1 144 . 2 2 87 87 VAL N N 15 120.175 0.100 . 1 . . . . 80 VAL N . 7435 1 145 . 2 2 88 88 TYR H H 1 8.266 0.020 . 1 . . . . 81 TYR H . 7435 1 146 . 2 2 88 88 TYR N N 15 124.336 0.100 . 1 . . . . 81 TYR N . 7435 1 147 . 2 2 89 89 ARG H H 1 8.088 0.020 . 1 . . . . 82 ARG H . 7435 1 148 . 2 2 89 89 ARG N N 15 123.720 0.100 . 1 . . . . 82 ARG N . 7435 1 149 . 2 2 90 90 SER H H 1 8.316 0.020 . 1 . . . . 83 SER H . 7435 1 150 . 2 2 90 90 SER N N 15 118.902 0.100 . 1 . . . . 83 SER N . 7435 1 151 . 2 2 92 92 SER H H 1 8.465 0.020 . 1 . . . . 85 SER H . 7435 1 152 . 2 2 92 92 SER N N 15 118.608 0.100 . 1 . . . . 85 SER N . 7435 1 153 . 2 2 94 94 MET H H 1 8.328 0.020 . 1 . . . . 87 MET H . 7435 1 154 . 2 2 94 94 MET N N 15 120.019 0.100 . 1 . . . . 87 MET N . 7435 1 155 . 2 2 95 95 ARG H H 1 8.185 0.020 . 1 . . . . 88 ARG H . 7435 1 156 . 2 2 95 95 ARG N N 15 120.743 0.100 . 1 . . . . 88 ARG N . 7435 1 157 . 2 2 96 96 PHE H H 1 8.269 0.020 . 1 . . . . 89 PHE H . 7435 1 158 . 2 2 96 96 PHE N N 15 120.682 0.100 . 1 . . . . 89 PHE N . 7435 1 159 . 2 2 97 97 GLY H H 1 8.334 0.020 . 1 . . . . 90 GLY H . 7435 1 160 . 2 2 97 97 GLY N N 15 109.949 0.100 . 1 . . . . 90 GLY N . 7435 1 161 . 2 2 98 98 LYS H H 1 8.18 0.020 . 1 . . . . 91 LYS H . 7435 1 162 . 2 2 98 98 LYS N N 15 120.811 0.100 . 1 . . . . 91 LYS N . 7435 1 163 . 2 2 99 99 ARG H H 1 8.461 0.020 . 1 . . . . 92 ARG H . 7435 1 164 . 2 2 99 99 ARG N N 15 123.835 0.100 . 1 . . . . 92 ARG N . 7435 1 165 . 2 2 101 101 ARG H H 1 8.476 0.020 . 1 . . . . 94 ARG H . 7435 1 166 . 2 2 101 101 ARG N N 15 121.856 0.100 . 1 . . . . 94 ARG N . 7435 1 167 . 2 2 102 102 ILE H H 1 8.239 0.020 . 1 . . . . 95 ILE H . 7435 1 168 . 2 2 102 102 ILE N N 15 122.395 0.100 . 1 . . . . 95 ILE N . 7435 1 169 . 2 2 103 103 SER H H 1 8.461 0.020 . 1 . . . . 96 SER H . 7435 1 170 . 2 2 103 103 SER N N 15 120.138 0.100 . 1 . . . . 96 SER N . 7435 1 171 . 2 2 104 104 SER H H 1 8.376 0.020 . 1 . . . . 97 SER H . 7435 1 172 . 2 2 104 104 SER N N 15 118.508 0.100 . 1 . . . . 97 SER N . 7435 1 173 . 2 2 105 105 ASN H H 1 8.492 0.020 . 1 . . . . 98 ASN H . 7435 1 174 . 2 2 105 105 ASN N N 15 120.627 0.100 . 1 . . . . 98 ASN N . 7435 1 175 . 2 2 106 106 SER H H 1 8.362 0.020 . 1 . . . . 99 SER H . 7435 1 176 . 2 2 106 106 SER N N 15 116.494 0.100 . 1 . . . . 99 SER N . 7435 1 177 . 2 2 107 107 THR H H 1 8.243 0.020 . 1 . . . . 100 THR H . 7435 1 178 . 2 2 107 107 THR N N 15 115.532 0.100 . 1 . . . . 100 THR N . 7435 1 179 . 2 2 108 108 SER H H 1 8.312 0.020 . 1 . . . . 101 SER H . 7435 1 180 . 2 2 108 108 SER N N 15 118.076 0.100 . 1 . . . . 101 SER N . 7435 1 181 . 2 2 109 109 ARG H H 1 8.391 0.020 . 1 . . . . 102 ARG H . 7435 1 182 . 2 2 109 109 ARG N N 15 122.971 0.100 . 1 . . . . 102 ARG N . 7435 1 183 . 2 2 110 110 SER H H 1 8.383 0.020 . 1 . . . . 103 SER H . 7435 1 184 . 2 2 110 110 SER N N 15 117.419 0.100 . 1 . . . . 103 SER N . 7435 1 185 . 2 2 111 111 CYS H H 1 8.366 0.020 . 1 . . . . 104 CYS H . 7435 1 186 . 2 2 111 111 CYS N N 15 120.944 0.100 . 1 . . . . 104 CYS N . 7435 1 187 . 2 2 113 113 THR H H 1 8.18 0.020 . 1 . . . . 106 THR H . 7435 1 188 . 2 2 113 113 THR N N 15 116.632 0.100 . 1 . . . . 106 THR N . 7435 1 189 . 2 2 116 116 ALA H H 1 8.164 0.020 . 1 . . . . 109 ALA H . 7435 1 190 . 2 2 116 116 ALA N N 15 122.370 0.100 . 1 . . . . 109 ALA N . 7435 1 191 . 2 2 117 117 ASP H H 1 7.8 0.020 . 1 . . . . 110 ASP H . 7435 1 192 . 2 2 117 117 ASP N N 15 117.273 0.100 . 1 . . . . 110 ASP N . 7435 1 193 . 2 2 119 119 VAL H H 1 8.065 0.020 . 1 . . . . 112 VAL H . 7435 1 194 . 2 2 119 119 VAL N N 15 120.005 0.100 . 1 . . . . 112 VAL N . 7435 1 195 . 2 2 120 120 ARG H H 1 7.872 0.020 . 1 . . . . 113 ARG H . 7435 1 196 . 2 2 120 120 ARG N N 15 120.921 0.100 . 1 . . . . 113 ARG N . 7435 1 197 . 2 2 121 121 GLU H H 1 8.282 0.020 . 1 . . . . 114 GLU H . 7435 1 198 . 2 2 121 121 GLU N N 15 121.057 0.100 . 1 . . . . 114 GLU N . 7435 1 199 . 2 2 122 122 ALA H H 1 8.066 0.020 . 1 . . . . 115 ALA H . 7435 1 200 . 2 2 122 122 ALA N N 15 123.492 0.100 . 1 . . . . 115 ALA N . 7435 1 201 . 2 2 124 124 ALA H H 1 7.981 0.020 . 1 . . . . 117 ALA H . 7435 1 202 . 2 2 124 124 ALA N N 15 121.741 0.100 . 1 . . . . 117 ALA N . 7435 1 203 . 2 2 125 125 GLN H H 1 8.073 0.020 . 1 . . . . 118 GLN H . 7435 1 204 . 2 2 125 125 GLN N N 15 117.334 0.100 . 1 . . . . 118 GLN N . 7435 1 205 . 2 2 126 126 ARG H H 1 7.867 0.020 . 1 . . . . 119 ARG H . 7435 1 206 . 2 2 126 126 ARG N N 15 119.491 0.100 . 1 . . . . 119 ARG N . 7435 1 207 . 2 2 129 129 GLU H H 1 8.019 0.020 . 1 . . . . 122 GLU H . 7435 1 208 . 2 2 129 129 GLU N N 15 120.349 0.100 . 1 . . . . 122 GLU N . 7435 1 stop_ save_