data_53723 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53723 _Entry.Title ; Solution assignment of CD7opt bound to K12 (SECTM1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-04-15 _Entry.Accession_date 2026-04-15 _Entry.Last_release_date 2026-04-15 _Entry.Original_release_date 2026-04-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Solution assignment of CD7opt bound to K12 (SECTM1)' _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.ORCID _Entry_author.Entry_ID 1 Uri Miles . Z. . . 53723 2 Hongwei Wu . . . . 53723 3 Andrew Mcshan . C. . . 53723 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53723 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 104 53723 '1H chemical shifts' 104 53723 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 . . 2026-04-30 . original BMRB . 53723 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53722 'Solution NMR assignments of the human CD7 ectodomain' 53723 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53723 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A structural basis for T cell co-stimulation by the CD7 immunoreceptor and stimulatory ligand K12 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Uri Miles . Z. . . 53723 1 2 Hongwei Wu . . . . 53723 1 3 Andrew Mcshan . C. . . 53723 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53723 _Assembly.ID 1 _Assembly.Name 'CD7opt K12' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 CD7opt 1 $entity_1 . . yes native no no . 'Receptor of interest' . 53723 1 2 K12 2 $entity_2 . . no native no no . 'Receptor ligand' . 53723 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 117 117 SG . . . . . . . . . . . . 53723 1 2 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 89 89 SG . . . . . . . . . . . . 53723 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 53723 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53723 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AQEVQQSPHCTTVPVGASVN ITCSTSGGLRGIYLRQLGPQ PQDIIYYEDGVVPTTDRRFR GRIDFSGSQDNLTITMHRLQ LSDTGTYTCQAITEVNVYGS GTLVLVTEEQSQGWHRCSDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ALA . 53723 1 2 . GLN . 53723 1 3 . GLU . 53723 1 4 . VAL . 53723 1 5 . GLN . 53723 1 6 . GLN . 53723 1 7 . SER . 53723 1 8 . PRO . 53723 1 9 . HIS . 53723 1 10 . CYS . 53723 1 11 . THR . 53723 1 12 . THR . 53723 1 13 . VAL . 53723 1 14 . PRO . 53723 1 15 . VAL . 53723 1 16 . GLY . 53723 1 17 . ALA . 53723 1 18 . SER . 53723 1 19 . VAL . 53723 1 20 . ASN . 53723 1 21 . ILE . 53723 1 22 . THR . 53723 1 23 . CYS . 53723 1 24 . SER . 53723 1 25 . THR . 53723 1 26 . SER . 53723 1 27 . GLY . 53723 1 28 . GLY . 53723 1 29 . LEU . 53723 1 30 . ARG . 53723 1 31 . GLY . 53723 1 32 . ILE . 53723 1 33 . TYR . 53723 1 34 . LEU . 53723 1 35 . ARG . 53723 1 36 . GLN . 53723 1 37 . LEU . 53723 1 38 . GLY . 53723 1 39 . PRO . 53723 1 40 . GLN . 53723 1 41 . PRO . 53723 1 42 . GLN . 53723 1 43 . ASP . 53723 1 44 . ILE . 53723 1 45 . ILE . 53723 1 46 . TYR . 53723 1 47 . TYR . 53723 1 48 . GLU . 53723 1 49 . ASP . 53723 1 50 . GLY . 53723 1 51 . VAL . 53723 1 52 . VAL . 53723 1 53 . PRO . 53723 1 54 . THR . 53723 1 55 . THR . 53723 1 56 . ASP . 53723 1 57 . ARG . 53723 1 58 . ARG . 53723 1 59 . PHE . 53723 1 60 . ARG . 53723 1 61 . GLY . 53723 1 62 . ARG . 53723 1 63 . ILE . 53723 1 64 . ASP . 53723 1 65 . PHE . 53723 1 66 . SER . 53723 1 67 . GLY . 53723 1 68 . SER . 53723 1 69 . GLN . 53723 1 70 . ASP . 53723 1 71 . ASN . 53723 1 72 . LEU . 53723 1 73 . THR . 53723 1 74 . ILE . 53723 1 75 . THR . 53723 1 76 . MET . 53723 1 77 . HIS . 53723 1 78 . ARG . 53723 1 79 . LEU . 53723 1 80 . GLN . 53723 1 81 . LEU . 53723 1 82 . SER . 53723 1 83 . ASP . 53723 1 84 . THR . 53723 1 85 . GLY . 53723 1 86 . THR . 53723 1 87 . TYR . 53723 1 88 . THR . 53723 1 89 . CYS . 53723 1 90 . GLN . 53723 1 91 . ALA . 53723 1 92 . ILE . 53723 1 93 . THR . 53723 1 94 . GLU . 53723 1 95 . VAL . 53723 1 96 . ASN . 53723 1 97 . VAL . 53723 1 98 . TYR . 53723 1 99 . GLY . 53723 1 100 . SER . 53723 1 101 . GLY . 53723 1 102 . THR . 53723 1 103 . LEU . 53723 1 104 . VAL . 53723 1 105 . LEU . 53723 1 106 . VAL . 53723 1 107 . THR . 53723 1 108 . GLU . 53723 1 109 . GLU . 53723 1 110 . GLN . 53723 1 111 . SER . 53723 1 112 . GLN . 53723 1 113 . GLY . 53723 1 114 . TRP . 53723 1 115 . HIS . 53723 1 116 . ARG . 53723 1 117 . CYS . 53723 1 118 . SER . 53723 1 119 . ASP . 53723 1 120 . ALA . 53723 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 . ALA 1 1 53723 1 . GLN 2 2 53723 1 . GLU 3 3 53723 1 . VAL 4 4 53723 1 . GLN 5 5 53723 1 . GLN 6 6 53723 1 . SER 7 7 53723 1 . PRO 8 8 53723 1 . HIS 9 9 53723 1 . CYS 10 10 53723 1 . THR 11 11 53723 1 . THR 12 12 53723 1 . VAL 13 13 53723 1 . PRO 14 14 53723 1 . VAL 15 15 53723 1 . GLY 16 16 53723 1 . ALA 17 17 53723 1 . SER 18 18 53723 1 . VAL 19 19 53723 1 . ASN 20 20 53723 1 . ILE 21 21 53723 1 . THR 22 22 53723 1 . CYS 23 23 53723 1 . SER 24 24 53723 1 . THR 25 25 53723 1 . SER 26 26 53723 1 . GLY 27 27 53723 1 . GLY 28 28 53723 1 . LEU 29 29 53723 1 . ARG 30 30 53723 1 . GLY 31 31 53723 1 . ILE 32 32 53723 1 . TYR 33 33 53723 1 . LEU 34 34 53723 1 . ARG 35 35 53723 1 . GLN 36 36 53723 1 . LEU 37 37 53723 1 . GLY 38 38 53723 1 . PRO 39 39 53723 1 . GLN 40 40 53723 1 . PRO 41 41 53723 1 . GLN 42 42 53723 1 . ASP 43 43 53723 1 . ILE 44 44 53723 1 . ILE 45 45 53723 1 . TYR 46 46 53723 1 . TYR 47 47 53723 1 . GLU 48 48 53723 1 . ASP 49 49 53723 1 . GLY 50 50 53723 1 . VAL 51 51 53723 1 . VAL 52 52 53723 1 . PRO 53 53 53723 1 . THR 54 54 53723 1 . THR 55 55 53723 1 . ASP 56 56 53723 1 . ARG 57 57 53723 1 . ARG 58 58 53723 1 . PHE 59 59 53723 1 . ARG 60 60 53723 1 . GLY 61 61 53723 1 . ARG 62 62 53723 1 . ILE 63 63 53723 1 . ASP 64 64 53723 1 . PHE 65 65 53723 1 . SER 66 66 53723 1 . GLY 67 67 53723 1 . SER 68 68 53723 1 . GLN 69 69 53723 1 . ASP 70 70 53723 1 . ASN 71 71 53723 1 . LEU 72 72 53723 1 . THR 73 73 53723 1 . ILE 74 74 53723 1 . THR 75 75 53723 1 . MET 76 76 53723 1 . HIS 77 77 53723 1 . ARG 78 78 53723 1 . LEU 79 79 53723 1 . GLN 80 80 53723 1 . LEU 81 81 53723 1 . SER 82 82 53723 1 . ASP 83 83 53723 1 . THR 84 84 53723 1 . GLY 85 85 53723 1 . THR 86 86 53723 1 . TYR 87 87 53723 1 . THR 88 88 53723 1 . CYS 89 89 53723 1 . GLN 90 90 53723 1 . ALA 91 91 53723 1 . ILE 92 92 53723 1 . THR 93 93 53723 1 . GLU 94 94 53723 1 . VAL 95 95 53723 1 . ASN 96 96 53723 1 . VAL 97 97 53723 1 . TYR 98 98 53723 1 . GLY 99 99 53723 1 . SER 100 100 53723 1 . GLY 101 101 53723 1 . THR 102 102 53723 1 . LEU 103 103 53723 1 . VAL 104 104 53723 1 . LEU 105 105 53723 1 . VAL 106 106 53723 1 . THR 107 107 53723 1 . GLU 108 108 53723 1 . GLU 109 109 53723 1 . GLN 110 110 53723 1 . SER 111 111 53723 1 . GLN 112 112 53723 1 . GLY 113 113 53723 1 . TRP 114 114 53723 1 . HIS 115 115 53723 1 . ARG 116 116 53723 1 . CYS 117 117 53723 1 . SER 118 118 53723 1 . ASP 119 119 53723 1 . ALA 120 120 53723 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53723 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QNEGWDSPICTEGVVSVSWG ENTVMSCNISNAFSHVNIKL RAHGQESAIFNEVAPGYFSR DGWQLQVQGGVAQLVIKGAR DSHAGLYMWHLVGHQRNNRQ VTLEVSGAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLN . 53723 2 2 . ASN . 53723 2 3 . GLU . 53723 2 4 . GLY . 53723 2 5 . TRP . 53723 2 6 . ASP . 53723 2 7 . SER . 53723 2 8 . PRO . 53723 2 9 . ILE . 53723 2 10 . CYS . 53723 2 11 . THR . 53723 2 12 . GLU . 53723 2 13 . GLY . 53723 2 14 . VAL . 53723 2 15 . VAL . 53723 2 16 . SER . 53723 2 17 . VAL . 53723 2 18 . SER . 53723 2 19 . TRP . 53723 2 20 . GLY . 53723 2 21 . GLU . 53723 2 22 . ASN . 53723 2 23 . THR . 53723 2 24 . VAL . 53723 2 25 . MET . 53723 2 26 . SER . 53723 2 27 . CYS . 53723 2 28 . ASN . 53723 2 29 . ILE . 53723 2 30 . SER . 53723 2 31 . ASN . 53723 2 32 . ALA . 53723 2 33 . PHE . 53723 2 34 . SER . 53723 2 35 . HIS . 53723 2 36 . VAL . 53723 2 37 . ASN . 53723 2 38 . ILE . 53723 2 39 . LYS . 53723 2 40 . LEU . 53723 2 41 . ARG . 53723 2 42 . ALA . 53723 2 43 . HIS . 53723 2 44 . GLY . 53723 2 45 . GLN . 53723 2 46 . GLU . 53723 2 47 . SER . 53723 2 48 . ALA . 53723 2 49 . ILE . 53723 2 50 . PHE . 53723 2 51 . ASN . 53723 2 52 . GLU . 53723 2 53 . VAL . 53723 2 54 . ALA . 53723 2 55 . PRO . 53723 2 56 . GLY . 53723 2 57 . TYR . 53723 2 58 . PHE . 53723 2 59 . SER . 53723 2 60 . ARG . 53723 2 61 . ASP . 53723 2 62 . GLY . 53723 2 63 . TRP . 53723 2 64 . GLN . 53723 2 65 . LEU . 53723 2 66 . GLN . 53723 2 67 . VAL . 53723 2 68 . GLN . 53723 2 69 . GLY . 53723 2 70 . GLY . 53723 2 71 . VAL . 53723 2 72 . ALA . 53723 2 73 . GLN . 53723 2 74 . LEU . 53723 2 75 . VAL . 53723 2 76 . ILE . 53723 2 77 . LYS . 53723 2 78 . GLY . 53723 2 79 . ALA . 53723 2 80 . ARG . 53723 2 81 . ASP . 53723 2 82 . SER . 53723 2 83 . HIS . 53723 2 84 . ALA . 53723 2 85 . GLY . 53723 2 86 . LEU . 53723 2 87 . TYR . 53723 2 88 . MET . 53723 2 89 . TRP . 53723 2 90 . HIS . 53723 2 91 . LEU . 53723 2 92 . VAL . 53723 2 93 . GLY . 53723 2 94 . HIS . 53723 2 95 . GLN . 53723 2 96 . ARG . 53723 2 97 . ASN . 53723 2 98 . ASN . 53723 2 99 . ARG . 53723 2 100 . GLN . 53723 2 101 . VAL . 53723 2 102 . THR . 53723 2 103 . LEU . 53723 2 104 . GLU . 53723 2 105 . VAL . 53723 2 106 . SER . 53723 2 107 . GLY . 53723 2 108 . ALA . 53723 2 109 . GLU . 53723 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 . GLN 1 1 53723 2 . ASN 2 2 53723 2 . GLU 3 3 53723 2 . GLY 4 4 53723 2 . TRP 5 5 53723 2 . ASP 6 6 53723 2 . SER 7 7 53723 2 . PRO 8 8 53723 2 . ILE 9 9 53723 2 . CYS 10 10 53723 2 . THR 11 11 53723 2 . GLU 12 12 53723 2 . GLY 13 13 53723 2 . VAL 14 14 53723 2 . VAL 15 15 53723 2 . SER 16 16 53723 2 . VAL 17 17 53723 2 . SER 18 18 53723 2 . TRP 19 19 53723 2 . GLY 20 20 53723 2 . GLU 21 21 53723 2 . ASN 22 22 53723 2 . THR 23 23 53723 2 . VAL 24 24 53723 2 . MET 25 25 53723 2 . SER 26 26 53723 2 . CYS 27 27 53723 2 . ASN 28 28 53723 2 . ILE 29 29 53723 2 . SER 30 30 53723 2 . ASN 31 31 53723 2 . ALA 32 32 53723 2 . PHE 33 33 53723 2 . SER 34 34 53723 2 . HIS 35 35 53723 2 . VAL 36 36 53723 2 . ASN 37 37 53723 2 . ILE 38 38 53723 2 . LYS 39 39 53723 2 . LEU 40 40 53723 2 . ARG 41 41 53723 2 . ALA 42 42 53723 2 . HIS 43 43 53723 2 . GLY 44 44 53723 2 . GLN 45 45 53723 2 . GLU 46 46 53723 2 . SER 47 47 53723 2 . ALA 48 48 53723 2 . ILE 49 49 53723 2 . PHE 50 50 53723 2 . ASN 51 51 53723 2 . GLU 52 52 53723 2 . VAL 53 53 53723 2 . ALA 54 54 53723 2 . PRO 55 55 53723 2 . GLY 56 56 53723 2 . TYR 57 57 53723 2 . PHE 58 58 53723 2 . SER 59 59 53723 2 . ARG 60 60 53723 2 . ASP 61 61 53723 2 . GLY 62 62 53723 2 . TRP 63 63 53723 2 . GLN 64 64 53723 2 . LEU 65 65 53723 2 . GLN 66 66 53723 2 . VAL 67 67 53723 2 . GLN 68 68 53723 2 . GLY 69 69 53723 2 . GLY 70 70 53723 2 . VAL 71 71 53723 2 . ALA 72 72 53723 2 . GLN 73 73 53723 2 . LEU 74 74 53723 2 . VAL 75 75 53723 2 . ILE 76 76 53723 2 . LYS 77 77 53723 2 . GLY 78 78 53723 2 . ALA 79 79 53723 2 . ARG 80 80 53723 2 . ASP 81 81 53723 2 . SER 82 82 53723 2 . HIS 83 83 53723 2 . ALA 84 84 53723 2 . GLY 85 85 53723 2 . LEU 86 86 53723 2 . TYR 87 87 53723 2 . MET 88 88 53723 2 . TRP 89 89 53723 2 . HIS 90 90 53723 2 . LEU 91 91 53723 2 . VAL 92 92 53723 2 . GLY 93 93 53723 2 . HIS 94 94 53723 2 . GLN 95 95 53723 2 . ARG 96 96 53723 2 . ASN 97 97 53723 2 . ASN 98 98 53723 2 . ARG 99 99 53723 2 . GLN 100 100 53723 2 . VAL 101 101 53723 2 . THR 102 102 53723 2 . LEU 103 103 53723 2 . GLU 104 104 53723 2 . VAL 105 105 53723 2 . SER 106 106 53723 2 . GLY 107 107 53723 2 . ALA 108 108 53723 2 . GLU 109 109 53723 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53723 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53723 1 2 2 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53723 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53723 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET-22(b)+ . . . 53723 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET-22(b)+ . . . 53723 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53723 _Sample.ID 1 _Sample.Name CD7opt_K12 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM NaPO4 (pH 6.5), 100 mM NaCl, 0.02% NaN3, 1 mM EDTA, 10%D2O, 1X Roche protease inhibitor 0.13 mM complex' _Sample.Aggregate_sample_number 1 _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 protein '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.13 . . mM . . . . 53723 1 2 K12 'natural abundance' . . 2 $entity_2 . . 0.13 . . mM . . . . 53723 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53723 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 53723 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53723 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 53723 1 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53723 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 53723 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'CD7opt K12' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 53723 1 pH 6.5 . pH 53723 1 pressure 1 . atm 53723 1 temperature 298.15 . K 53723 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53723 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53723 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53723 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53723 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53723 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53723 _Experiment_list.ID 1 _Experiment_list.Details ; Initial assignments of the free state were obtained by traditional triple resonance experiments (BMRB code 53722). The bound state was assigned by spectral proximity and validated with a 3D 1H-15N NOESY ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53723 1 2 '3D 1H-15N NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53723 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53723 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CD7opt K12' _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.696 internal direct 1 . . . . . 53723 1 N 15 water protons . . . . ppm 4.696 internal indirect 1 . . . . . 53723 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53723 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chem shift list 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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53723 1 2 '3D 1H-15N NOESY' . . . 53723 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 2 $software_2 . . 53723 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLN H H 1 7.711 . . . . . . . . 5 Q HN . 53723 1 2 . 1 . 1 5 5 GLN N N 15 115.250 . . . . . . . . 5 Q N . 53723 1 3 . 1 . 1 9 9 HIS H H 1 9.242 . . . . . . . . 9 H HN . 53723 1 4 . 1 . 1 9 9 HIS N N 15 116.995 . . . . . . . . 9 H N . 53723 1 5 . 1 . 1 10 10 CYS H H 1 7.924 . . . . . . . . 10 C HN . 53723 1 6 . 1 . 1 10 10 CYS N N 15 120.639 . . . . . . . . 10 C N . 53723 1 7 . 1 . 1 11 11 THR H H 1 9.297 . . . . . . . . 11 T HN . 53723 1 8 . 1 . 1 11 11 THR N N 15 125.133 . . . . . . . . 11 T N . 53723 1 9 . 1 . 1 12 12 THR H H 1 7.890 . . . . . . . . 12 T HN . 53723 1 10 . 1 . 1 12 12 THR N N 15 119.797 . . . . . . . . 12 T N . 53723 1 11 . 1 . 1 13 13 VAL H H 1 8.834 . . . . . . . . 13 V HN . 53723 1 12 . 1 . 1 13 13 VAL N N 15 119.852 . . . . . . . . 13 V N . 53723 1 13 . 1 . 1 15 15 VAL H H 1 7.441 . . . . . . . . 15 V HN . 53723 1 14 . 1 . 1 15 15 VAL N N 15 116.865 . . . . . . . . 15 V N . 53723 1 15 . 1 . 1 16 16 GLY H H 1 9.936 . . . . . . . . 16 G HN . 53723 1 16 . 1 . 1 16 16 GLY N N 15 115.688 . . . . . . . . 16 G N . 53723 1 17 . 1 . 1 17 17 ALA H H 1 7.996 . . . . . . . . 17 A HN . 53723 1 18 . 1 . 1 17 17 ALA N N 15 124.786 . . . . . . . . 17 A N . 53723 1 19 . 1 . 1 18 18 SER H H 1 7.947 . . . . . . . . 18 S HN . 53723 1 20 . 1 . 1 18 18 SER N N 15 110.986 . . . . . . . . 18 S N . 53723 1 21 . 1 . 1 19 19 VAL H H 1 8.537 . . . . . . . . 19 V HN . 53723 1 22 . 1 . 1 19 19 VAL N N 15 118.146 . . . . . . . . 19 V N . 53723 1 23 . 1 . 1 20 20 ASN H H 1 7.896 . . . . . . . . 20 N HN . 53723 1 24 . 1 . 1 20 20 ASN N N 15 121.055 . . . . . . . . 20 N N . 53723 1 25 . 1 . 1 21 21 ILE H H 1 9.146 . . . . . . . . 21 I HN . 53723 1 26 . 1 . 1 21 21 ILE N N 15 124.542 . . . . . . . . 21 I N . 53723 1 27 . 1 . 1 22 22 THR H H 1 9.353 . . . . . . . . 22 T HN . 53723 1 28 . 1 . 1 22 22 THR N N 15 122.551 . . . . . . . . 22 T N . 53723 1 29 . 1 . 1 23 23 CYS H H 1 9.201 . . . . . . . . 23 C HN . 53723 1 30 . 1 . 1 23 23 CYS N N 15 123.262 . . . . . . . . 23 C N . 53723 1 31 . 1 . 1 24 24 SER H H 1 9.204 . . . . . . . . 24 S HN . 53723 1 32 . 1 . 1 24 24 SER N N 15 124.271 . . . . . . . . 24 S N . 53723 1 33 . 1 . 1 25 25 THR H H 1 8.704 . . . . . . . . 25 T HN . 53723 1 34 . 1 . 1 25 25 THR N N 15 126.071 . . . . . . . . 25 T N . 53723 1 35 . 1 . 1 26 26 SER H H 1 9.118 . . . . . . . . 26 S HN . 53723 1 36 . 1 . 1 26 26 SER N N 15 122.106 . . . . . . . . 26 S N . 53723 1 37 . 1 . 1 27 27 GLY H H 1 8.576 . . . . . . . . 27 G HN . 53723 1 38 . 1 . 1 27 27 GLY N N 15 109.077 . . . . . . . . 27 G N . 53723 1 39 . 1 . 1 28 28 GLY H H 1 8.791 . . . . . . . . 28 G HN . 53723 1 40 . 1 . 1 28 28 GLY N N 15 110.207 . . . . . . . . 28 G N . 53723 1 41 . 1 . 1 29 29 LEU H H 1 7.794 . . . . . . . . 29 L HN . 53723 1 42 . 1 . 1 29 29 LEU N N 15 118.088 . . . . . . . . 29 L N . 53723 1 43 . 1 . 1 30 30 ARG H H 1 9.004 . . . . . . . . 30 R HN . 53723 1 44 . 1 . 1 30 30 ARG N N 15 118.922 . . . . . . . . 30 R N . 53723 1 45 . 1 . 1 31 31 GLY H H 1 7.217 . . . . . . . . 31 G HN . 53723 1 46 . 1 . 1 31 31 GLY N N 15 101.144 . . . . . . . . 31 G N . 53723 1 47 . 1 . 1 32 32 ILE H H 1 8.521 . . . . . . . . 32 I HN . 53723 1 48 . 1 . 1 32 32 ILE N N 15 120.488 . . . . . . . . 32 I N . 53723 1 49 . 1 . 1 33 33 TYR H H 1 8.852 . . . . . . . . 33 Y HN . 53723 1 50 . 1 . 1 33 33 TYR N N 15 120.510 . . . . . . . . 33 Y N . 53723 1 51 . 1 . 1 34 34 LEU H H 1 8.528 . . . . . . . . 34 L HN . 53723 1 52 . 1 . 1 34 34 LEU N N 15 119.255 . . . . . . . . 34 L N . 53723 1 53 . 1 . 1 37 37 LEU H H 1 9.013 . . . . . . . . 37 L HN . 53723 1 54 . 1 . 1 37 37 LEU N N 15 126.145 . . . . . . . . 37 L N . 53723 1 55 . 1 . 1 38 38 GLY H H 1 7.051 . . . . . . . . 38 G HN . 53723 1 56 . 1 . 1 38 38 GLY N N 15 107.759 . . . . . . . . 38 G N . 53723 1 57 . 1 . 1 40 40 GLN H H 1 9.516 . . . . . . . . 40 Q HN . 53723 1 58 . 1 . 1 40 40 GLN N N 15 127.443 . . . . . . . . 40 Q N . 53723 1 59 . 1 . 1 42 42 GLN H H 1 8.340 . . . . . . . . 42 Q HN . 53723 1 60 . 1 . 1 42 42 GLN N N 15 119.733 . . . . . . . . 42 Q N . 53723 1 61 . 1 . 1 43 43 ASP H H 1 9.263 . . . . . . . . 43 D HN . 53723 1 62 . 1 . 1 43 43 ASP N N 15 126.737 . . . . . . . . 43 D N . 53723 1 63 . 1 . 1 45 45 ILE H H 1 8.037 . . . . . . . . 45 I HN . 53723 1 64 . 1 . 1 45 45 ILE N N 15 107.447 . . . . . . . . 45 I N . 53723 1 65 . 1 . 1 46 46 TYR H H 1 8.366 . . . . . . . . 46 Y HN . 53723 1 66 . 1 . 1 46 46 TYR N N 15 121.505 . . . . . . . . 46 Y N . 53723 1 67 . 1 . 1 47 47 TYR H H 1 8.356 . . . . . . . . 47 Y HN . 53723 1 68 . 1 . 1 47 47 TYR N N 15 127.899 . . . . . . . . 47 Y N . 53723 1 69 . 1 . 1 48 48 GLU H H 1 7.731 . . . . . . . . 48 E HN . 53723 1 70 . 1 . 1 48 48 GLU N N 15 128.481 . . . . . . . . 48 E N . 53723 1 71 . 1 . 1 49 49 ASP H H 1 8.718 . . . . . . . . 49 D HN . 53723 1 72 . 1 . 1 49 49 ASP N N 15 123.856 . . . . . . . . 49 D N . 53723 1 73 . 1 . 1 50 50 GLY H H 1 8.681 . . . . . . . . 50 G HN . 53723 1 74 . 1 . 1 50 50 GLY N N 15 109.173 . . . . . . . . 50 G N . 53723 1 75 . 1 . 1 51 51 VAL H H 1 7.600 . . . . . . . . 51 V HN . 53723 1 76 . 1 . 1 51 51 VAL N N 15 120.052 . . . . . . . . 51 V N . 53723 1 77 . 1 . 1 52 52 VAL H H 1 8.525 . . . . . . . . 52 V HN . 53723 1 78 . 1 . 1 52 52 VAL N N 15 130.154 . . . . . . . . 52 V N . 53723 1 79 . 1 . 1 54 54 THR H H 1 8.556 . . . . . . . . 54 T HN . 53723 1 80 . 1 . 1 54 54 THR N N 15 118.534 . . . . . . . . 54 T N . 53723 1 81 . 1 . 1 55 55 THR H H 1 8.776 . . . . . . . . 55 T HN . 53723 1 82 . 1 . 1 55 55 THR N N 15 120.024 . . . . . . . . 55 T N . 53723 1 83 . 1 . 1 56 56 ASP H H 1 8.896 . . . . . . . . 56 D HN . 53723 1 84 . 1 . 1 56 56 ASP N N 15 126.183 . . . . . . . . 56 D N . 53723 1 85 . 1 . 1 57 57 ARG H H 1 8.875 . . . . . . . . 57 R HN . 53723 1 86 . 1 . 1 57 57 ARG N N 15 124.818 . . . . . . . . 57 R N . 53723 1 87 . 1 . 1 58 58 ARG H H 1 9.287 . . . . . . . . 58 R HN . 53723 1 88 . 1 . 1 58 58 ARG N N 15 121.061 . . . . . . . . 58 R N . 53723 1 89 . 1 . 1 59 59 PHE H H 1 8.448 . . . . . . . . 59 F HN . 53723 1 90 . 1 . 1 59 59 PHE N N 15 119.544 . . . . . . . . 59 F N . 53723 1 91 . 1 . 1 60 60 ARG H H 1 7.347 . . . . . . . . 60 R HN . 53723 1 92 . 1 . 1 60 60 ARG N N 15 122.349 . . . . . . . . 60 R N . 53723 1 93 . 1 . 1 61 61 GLY H H 1 9.256 . . . . . . . . 61 G HN . 53723 1 94 . 1 . 1 61 61 GLY N N 15 109.637 . . . . . . . . 61 G N . 53723 1 95 . 1 . 1 62 62 ARG H H 1 8.416 . . . . . . . . 62 R HN . 53723 1 96 . 1 . 1 62 62 ARG N N 15 116.450 . . . . . . . . 62 R N . 53723 1 97 . 1 . 1 63 63 ILE H H 1 7.365 . . . . . . . . 63 I HN . 53723 1 98 . 1 . 1 63 63 ILE N N 15 118.943 . . . . . . . . 63 I N . 53723 1 99 . 1 . 1 64 64 ASP H H 1 8.509 . . . . . . . . 64 D HN . 53723 1 100 . 1 . 1 64 64 ASP N N 15 125.590 . . . . . . . . 64 D N . 53723 1 101 . 1 . 1 65 65 PHE H H 1 8.610 . . . . . . . . 65 F HN . 53723 1 102 . 1 . 1 65 65 PHE N N 15 116.398 . . . . . . . . 65 F N . 53723 1 103 . 1 . 1 66 66 SER H H 1 8.683 . . . . . . . . 66 S HN . 53723 1 104 . 1 . 1 66 66 SER N N 15 114.968 . . . . . . . . 66 S N . 53723 1 105 . 1 . 1 67 67 GLY H H 1 8.606 . . . . . . . . 67 G HN . 53723 1 106 . 1 . 1 67 67 GLY N N 15 110.980 . . . . . . . . 67 G N . 53723 1 107 . 1 . 1 68 68 SER H H 1 7.789 . . . . . . . . 68 S HN . 53723 1 108 . 1 . 1 68 68 SER N N 15 115.982 . . . . . . . . 68 S N . 53723 1 109 . 1 . 1 69 69 GLN H H 1 10.147 . . . . . . . . 69 Q HN . 53723 1 110 . 1 . 1 69 69 GLN N N 15 118.840 . . . . . . . . 69 Q N . 53723 1 111 . 1 . 1 70 70 ASP H H 1 8.178 . . . . . . . . 70 D HN . 53723 1 112 . 1 . 1 70 70 ASP N N 15 112.882 . . . . . . . . 70 D N . 53723 1 113 . 1 . 1 71 71 ASN H H 1 7.760 . . . . . . . . 71 N HN . 53723 1 114 . 1 . 1 71 71 ASN N N 15 122.289 . . . . . . . . 71 N N . 53723 1 115 . 1 . 1 72 72 LEU H H 1 8.152 . . . . . . . . 72 L HN . 53723 1 116 . 1 . 1 72 72 LEU N N 15 129.037 . . . . . . . . 72 L N . 53723 1 117 . 1 . 1 73 73 THR H H 1 9.241 . . . . . . . . 73 T HN . 53723 1 118 . 1 . 1 73 73 THR N N 15 122.807 . . . . . . . . 73 T N . 53723 1 119 . 1 . 1 74 74 ILE H H 1 9.849 . . . . . . . . 74 I HN . 53723 1 120 . 1 . 1 74 74 ILE N N 15 131.518 . . . . . . . . 74 I N . 53723 1 121 . 1 . 1 75 75 THR H H 1 8.914 . . . . . . . . 75 T HN . 53723 1 122 . 1 . 1 75 75 THR N N 15 124.596 . . . . . . . . 75 T N . 53723 1 123 . 1 . 1 76 76 MET H H 1 8.528 . . . . . . . . 76 M HN . 53723 1 124 . 1 . 1 76 76 MET N N 15 124.026 . . . . . . . . 76 M N . 53723 1 125 . 1 . 1 77 77 HIS H H 1 8.761 . . . . . . . . 77 H HN . 53723 1 126 . 1 . 1 77 77 HIS N N 15 118.202 . . . . . . . . 77 H N . 53723 1 127 . 1 . 1 78 78 ARG H H 1 8.696 . . . . . . . . 78 R HN . 53723 1 128 . 1 . 1 78 78 ARG N N 15 115.945 . . . . . . . . 78 R N . 53723 1 129 . 1 . 1 79 79 LEU H H 1 8.393 . . . . . . . . 79 L HN . 53723 1 130 . 1 . 1 79 79 LEU N N 15 118.581 . . . . . . . . 79 L N . 53723 1 131 . 1 . 1 80 80 GLN H H 1 9.546 . . . . . . . . 80 Q HN . 53723 1 132 . 1 . 1 80 80 GLN N N 15 119.440 . . . . . . . . 80 Q N . 53723 1 133 . 1 . 1 81 81 LEU H H 1 9.036 . . . . . . . . 81 L HN . 53723 1 134 . 1 . 1 81 81 LEU N N 15 122.324 . . . . . . . . 81 L N . 53723 1 135 . 1 . 1 82 82 SER H H 1 7.773 . . . . . . . . 82 S HN . 53723 1 136 . 1 . 1 82 82 SER N N 15 108.331 . . . . . . . . 82 S N . 53723 1 137 . 1 . 1 83 83 ASP H H 1 8.206 . . . . . . . . 83 D HN . 53723 1 138 . 1 . 1 83 83 ASP N N 15 120.208 . . . . . . . . 83 D N . 53723 1 139 . 1 . 1 84 84 THR H H 1 7.274 . . . . . . . . 84 T HN . 53723 1 140 . 1 . 1 84 84 THR N N 15 119.793 . . . . . . . . 84 T N . 53723 1 141 . 1 . 1 85 85 GLY H H 1 9.021 . . . . . . . . 85 G HN . 53723 1 142 . 1 . 1 85 85 GLY N N 15 113.173 . . . . . . . . 85 G N . 53723 1 143 . 1 . 1 86 86 THR H H 1 8.230 . . . . . . . . 86 T HN . 53723 1 144 . 1 . 1 86 86 THR N N 15 115.276 . . . . . . . . 86 T N . 53723 1 145 . 1 . 1 87 87 TYR H H 1 9.063 . . . . . . . . 87 Y HN . 53723 1 146 . 1 . 1 87 87 TYR N N 15 129.149 . . . . . . . . 87 Y N . 53723 1 147 . 1 . 1 88 88 THR H H 1 10.099 . . . . . . . . 88 T HN . 53723 1 148 . 1 . 1 88 88 THR N N 15 124.391 . . . . . . . . 88 T N . 53723 1 149 . 1 . 1 89 89 CYS H H 1 9.019 . . . . . . . . 89 C HN . 53723 1 150 . 1 . 1 89 89 CYS N N 15 127.036 . . . . . . . . 89 C N . 53723 1 151 . 1 . 1 90 90 GLN H H 1 9.413 . . . . . . . . 90 Q HN . 53723 1 152 . 1 . 1 90 90 GLN N N 15 126.623 . . . . . . . . 90 Q N . 53723 1 153 . 1 . 1 91 91 ALA H H 1 9.325 . . . . . . . . 91 A HN . 53723 1 154 . 1 . 1 91 91 ALA N N 15 130.571 . . . . . . . . 91 A N . 53723 1 155 . 1 . 1 92 92 ILE H H 1 8.431 . . . . . . . . 92 I HN . 53723 1 156 . 1 . 1 92 92 ILE N N 15 121.300 . . . . . . . . 92 I N . 53723 1 157 . 1 . 1 93 93 THR H H 1 8.507 . . . . . . . . 93 T HN . 53723 1 158 . 1 . 1 93 93 THR N N 15 122.934 . . . . . . . . 93 T N . 53723 1 159 . 1 . 1 94 94 GLU H H 1 8.700 . . . . . . . . 94 E HN . 53723 1 160 . 1 . 1 94 94 GLU N N 15 124.702 . . . . . . . . 94 E N . 53723 1 161 . 1 . 1 95 95 VAL H H 1 8.008 . . . . . . . . 95 V HN . 53723 1 162 . 1 . 1 95 95 VAL N N 15 110.057 . . . . . . . . 95 V N . 53723 1 163 . 1 . 1 96 96 ASN H H 1 7.768 . . . . . . . . 96 N HN . 53723 1 164 . 1 . 1 96 96 ASN N N 15 118.682 . . . . . . . . 96 N N . 53723 1 165 . 1 . 1 97 97 VAL H H 1 8.698 . . . . . . . . 97 V HN . 53723 1 166 . 1 . 1 97 97 VAL N N 15 121.574 . . . . . . . . 97 V N . 53723 1 167 . 1 . 1 98 98 TYR H H 1 8.639 . . . . . . . . 98 Y HN . 53723 1 168 . 1 . 1 98 98 TYR N N 15 124.927 . . . . . . . . 98 Y N . 53723 1 169 . 1 . 1 99 99 GLY H H 1 8.685 . . . . . . . . 99 G HN . 53723 1 170 . 1 . 1 99 99 GLY N N 15 111.021 . . . . . . . . 99 G N . 53723 1 171 . 1 . 1 101 101 GLY H H 1 6.983 . . . . . . . . 101 G HN . 53723 1 172 . 1 . 1 101 101 GLY N N 15 107.332 . . . . . . . . 101 G N . 53723 1 173 . 1 . 1 102 102 THR H H 1 8.026 . . . . . . . . 102 T HN . 53723 1 174 . 1 . 1 102 102 THR N N 15 116.342 . . . . . . . . 102 T N . 53723 1 175 . 1 . 1 103 103 LEU H H 1 8.352 . . . . . . . . 103 L HN . 53723 1 176 . 1 . 1 103 103 LEU N N 15 130.560 . . . . . . . . 103 L N . 53723 1 177 . 1 . 1 104 104 VAL H H 1 9.145 . . . . . . . . 104 V HN . 53723 1 178 . 1 . 1 104 104 VAL N N 15 129.221 . . . . . . . . 104 V N . 53723 1 179 . 1 . 1 105 105 LEU H H 1 8.592 . . . . . . . . 105 L HN . 53723 1 180 . 1 . 1 105 105 LEU N N 15 128.478 . . . . . . . . 105 L N . 53723 1 181 . 1 . 1 106 106 VAL H H 1 7.745 . . . . . . . . 106 V HN . 53723 1 182 . 1 . 1 106 106 VAL N N 15 125.727 . . . . . . . . 106 V N . 53723 1 183 . 1 . 1 107 107 THR H H 1 8.748 . . . . . . . . 107 T HN . 53723 1 184 . 1 . 1 107 107 THR N N 15 117.584 . . . . . . . . 107 T N . 53723 1 185 . 1 . 1 108 108 GLU H H 1 8.629 . . . . . . . . 108 E HN . 53723 1 186 . 1 . 1 108 108 GLU N N 15 119.651 . . . . . . . . 108 E N . 53723 1 187 . 1 . 1 109 109 GLU H H 1 9.549 . . . . . . . . 109 E HN . 53723 1 188 . 1 . 1 109 109 GLU N N 15 125.345 . . . . . . . . 109 E N . 53723 1 189 . 1 . 1 110 110 GLN H H 1 8.994 . . . . . . . . 110 Q HN . 53723 1 190 . 1 . 1 110 110 GLN N N 15 115.429 . . . . . . . . 110 Q N . 53723 1 191 . 1 . 1 111 111 SER H H 1 7.802 . . . . . . . . 111 S HN . 53723 1 192 . 1 . 1 111 111 SER N N 15 113.876 . . . . . . . . 111 S N . 53723 1 193 . 1 . 1 112 112 GLN H H 1 7.352 . . . . . . . . 112 Q HN . 53723 1 194 . 1 . 1 112 112 GLN N N 15 120.470 . . . . . . . . 112 Q N . 53723 1 195 . 1 . 1 113 113 GLY H H 1 8.906 . . . . . . . . 113 G HN . 53723 1 196 . 1 . 1 113 113 GLY N N 15 105.936 . . . . . . . . 113 G N . 53723 1 197 . 1 . 1 114 114 TRP H H 1 7.806 . . . . . . . . 114 W HN . 53723 1 198 . 1 . 1 114 114 TRP N N 15 117.153 . . . . . . . . 114 W N . 53723 1 199 . 1 . 1 116 116 ARG H H 1 9.179 . . . . . . . . 116 R HN . 53723 1 200 . 1 . 1 116 116 ARG N N 15 121.359 . . . . . . . . 116 R N . 53723 1 201 . 1 . 1 117 117 CYS H H 1 9.005 . . . . . . . . 117 C HN . 53723 1 202 . 1 . 1 117 117 CYS N N 15 124.964 . . . . . . . . 117 C N . 53723 1 203 . 1 . 1 118 118 SER H H 1 8.658 . . . . . . . . 118 S HN . 53723 1 204 . 1 . 1 118 118 SER N N 15 117.584 . . . . . . . . 118 S N . 53723 1 205 . 1 . 1 119 119 ASP H H 1 8.855 . . . . . . . . 119 D HN . 53723 1 206 . 1 . 1 119 119 ASP N N 15 121.697 . . . . . . . . 119 D N . 53723 1 207 . 1 . 1 120 120 ALA H H 1 7.856 . . . . . . . . 120 A HN . 53723 1 208 . 1 . 1 120 120 ALA N N 15 128.976 . . . . . . . . 120 A N . 53723 1 stop_ save_