data_51224 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51224 _Entry.Title ; 1H15N HSQC chemical shifts and Relaxation Parameters for Y99C MIF Mixed Trimers ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-07 _Entry.Accession_date 2021-12-07 _Entry.Last_release_date 2021-12-07 _Entry.Original_release_date 2021-12-07 _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 . _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 Erin Skeens . . . 0000-0002-0580-1291 51224 2 George Lisi . P. . 0000-0001-8878-5655 51224 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51224 heteronucl_NOEs 1 51224 heteronucl_T1_relaxation 1 51224 heteronucl_T2_relaxation 1 51224 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 95 51224 '1H chemical shifts' 95 51224 'T1 relaxation values' 81 51224 'T2 relaxation values' 84 51224 'heteronuclear NOE values' 78 51224 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 . . 2022-03-09 . original BMRB . 51224 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51223 'Y99C MIF Homotrimers' 51224 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51224 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35252348 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2296-889X _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 783669 _Citation.Page_last 783669 _Citation.Year 2022 _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 Erin Skeens . . . . 51224 1 2 Georgios Pantouris . . . . 51224 1 3 Dilip Shah . . . . 51224 1 4 Ramu Manjula . . . . 51224 1 5 Michael Ombrello . J. . . 51224 1 6 N. Maluf . K. . . 51224 1 7 Vineet Bhandari . . . . 51224 1 8 George Lisi . P. . . 51224 1 9 Elias Lolis . J. . . 51224 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51224 _Assembly.ID 1 _Assembly.Name 'Y99C MIF Mixed Trimers' _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 'Y99C MIF monomer' 1 $entity_1 . . yes native no no . . . 51224 1 2 'WT MIF monomer' 2 $entity_2 . . yes native no no . . . 51224 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51224 _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 ; PMFIVNTNVPRASVPDGFLS ELTQQLAQATGKPPQYIAVH VVPDQLMAFGGSSEPCALCS LHSIGKIGGAQNRSYSKLLC GLLAERLRISPDRVYINYCD MNAANVGWNNSTFA ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . PRO . 51224 1 2 . MET . 51224 1 3 . PHE . 51224 1 4 . ILE . 51224 1 5 . VAL . 51224 1 6 . ASN . 51224 1 7 . THR . 51224 1 8 . ASN . 51224 1 9 . VAL . 51224 1 10 . PRO . 51224 1 11 . ARG . 51224 1 12 . ALA . 51224 1 13 . SER . 51224 1 14 . VAL . 51224 1 15 . PRO . 51224 1 16 . ASP . 51224 1 17 . GLY . 51224 1 18 . PHE . 51224 1 19 . LEU . 51224 1 20 . SER . 51224 1 21 . GLU . 51224 1 22 . LEU . 51224 1 23 . THR . 51224 1 24 . GLN . 51224 1 25 . GLN . 51224 1 26 . LEU . 51224 1 27 . ALA . 51224 1 28 . GLN . 51224 1 29 . ALA . 51224 1 30 . THR . 51224 1 31 . GLY . 51224 1 32 . LYS . 51224 1 33 . PRO . 51224 1 34 . PRO . 51224 1 35 . GLN . 51224 1 36 . TYR . 51224 1 37 . ILE . 51224 1 38 . ALA . 51224 1 39 . VAL . 51224 1 40 . HIS . 51224 1 41 . VAL . 51224 1 42 . VAL . 51224 1 43 . PRO . 51224 1 44 . ASP . 51224 1 45 . GLN . 51224 1 46 . LEU . 51224 1 47 . MET . 51224 1 48 . ALA . 51224 1 49 . PHE . 51224 1 50 . GLY . 51224 1 51 . GLY . 51224 1 52 . SER . 51224 1 53 . SER . 51224 1 54 . GLU . 51224 1 55 . PRO . 51224 1 56 . CYS . 51224 1 57 . ALA . 51224 1 58 . LEU . 51224 1 59 . CYS . 51224 1 60 . SER . 51224 1 61 . LEU . 51224 1 62 . HIS . 51224 1 63 . SER . 51224 1 64 . ILE . 51224 1 65 . GLY . 51224 1 66 . LYS . 51224 1 67 . ILE . 51224 1 68 . GLY . 51224 1 69 . GLY . 51224 1 70 . ALA . 51224 1 71 . GLN . 51224 1 72 . ASN . 51224 1 73 . ARG . 51224 1 74 . SER . 51224 1 75 . TYR . 51224 1 76 . SER . 51224 1 77 . LYS . 51224 1 78 . LEU . 51224 1 79 . LEU . 51224 1 80 . CYS . 51224 1 81 . GLY . 51224 1 82 . LEU . 51224 1 83 . LEU . 51224 1 84 . ALA . 51224 1 85 . GLU . 51224 1 86 . ARG . 51224 1 87 . LEU . 51224 1 88 . ARG . 51224 1 89 . ILE . 51224 1 90 . SER . 51224 1 91 . PRO . 51224 1 92 . ASP . 51224 1 93 . ARG . 51224 1 94 . VAL . 51224 1 95 . TYR . 51224 1 96 . ILE . 51224 1 97 . ASN . 51224 1 98 . TYR . 51224 1 99 . CYS . 51224 1 100 . ASP . 51224 1 101 . MET . 51224 1 102 . ASN . 51224 1 103 . ALA . 51224 1 104 . ALA . 51224 1 105 . ASN . 51224 1 106 . VAL . 51224 1 107 . GLY . 51224 1 108 . TRP . 51224 1 109 . ASN . 51224 1 110 . ASN . 51224 1 111 . SER . 51224 1 112 . THR . 51224 1 113 . PHE . 51224 1 114 . ALA . 51224 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PRO 1 1 51224 1 . MET 2 2 51224 1 . PHE 3 3 51224 1 . ILE 4 4 51224 1 . VAL 5 5 51224 1 . ASN 6 6 51224 1 . THR 7 7 51224 1 . ASN 8 8 51224 1 . VAL 9 9 51224 1 . PRO 10 10 51224 1 . ARG 11 11 51224 1 . ALA 12 12 51224 1 . SER 13 13 51224 1 . VAL 14 14 51224 1 . PRO 15 15 51224 1 . ASP 16 16 51224 1 . GLY 17 17 51224 1 . PHE 18 18 51224 1 . LEU 19 19 51224 1 . SER 20 20 51224 1 . GLU 21 21 51224 1 . LEU 22 22 51224 1 . THR 23 23 51224 1 . GLN 24 24 51224 1 . GLN 25 25 51224 1 . LEU 26 26 51224 1 . ALA 27 27 51224 1 . GLN 28 28 51224 1 . ALA 29 29 51224 1 . THR 30 30 51224 1 . GLY 31 31 51224 1 . LYS 32 32 51224 1 . PRO 33 33 51224 1 . PRO 34 34 51224 1 . GLN 35 35 51224 1 . TYR 36 36 51224 1 . ILE 37 37 51224 1 . ALA 38 38 51224 1 . VAL 39 39 51224 1 . HIS 40 40 51224 1 . VAL 41 41 51224 1 . VAL 42 42 51224 1 . PRO 43 43 51224 1 . ASP 44 44 51224 1 . GLN 45 45 51224 1 . LEU 46 46 51224 1 . MET 47 47 51224 1 . ALA 48 48 51224 1 . PHE 49 49 51224 1 . GLY 50 50 51224 1 . GLY 51 51 51224 1 . SER 52 52 51224 1 . SER 53 53 51224 1 . GLU 54 54 51224 1 . PRO 55 55 51224 1 . CYS 56 56 51224 1 . ALA 57 57 51224 1 . LEU 58 58 51224 1 . CYS 59 59 51224 1 . SER 60 60 51224 1 . LEU 61 61 51224 1 . HIS 62 62 51224 1 . SER 63 63 51224 1 . ILE 64 64 51224 1 . GLY 65 65 51224 1 . LYS 66 66 51224 1 . ILE 67 67 51224 1 . GLY 68 68 51224 1 . GLY 69 69 51224 1 . ALA 70 70 51224 1 . GLN 71 71 51224 1 . ASN 72 72 51224 1 . ARG 73 73 51224 1 . SER 74 74 51224 1 . TYR 75 75 51224 1 . SER 76 76 51224 1 . LYS 77 77 51224 1 . LEU 78 78 51224 1 . LEU 79 79 51224 1 . CYS 80 80 51224 1 . GLY 81 81 51224 1 . LEU 82 82 51224 1 . LEU 83 83 51224 1 . ALA 84 84 51224 1 . GLU 85 85 51224 1 . ARG 86 86 51224 1 . LEU 87 87 51224 1 . ARG 88 88 51224 1 . ILE 89 89 51224 1 . SER 90 90 51224 1 . PRO 91 91 51224 1 . ASP 92 92 51224 1 . ARG 93 93 51224 1 . VAL 94 94 51224 1 . TYR 95 95 51224 1 . ILE 96 96 51224 1 . ASN 97 97 51224 1 . TYR 98 98 51224 1 . CYS 99 99 51224 1 . ASP 100 100 51224 1 . MET 101 101 51224 1 . ASN 102 102 51224 1 . ALA 103 103 51224 1 . ALA 104 104 51224 1 . ASN 105 105 51224 1 . VAL 106 106 51224 1 . GLY 107 107 51224 1 . TRP 108 108 51224 1 . ASN 109 109 51224 1 . ASN 110 110 51224 1 . SER 111 111 51224 1 . THR 112 112 51224 1 . PHE 113 113 51224 1 . ALA 114 114 51224 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51224 _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 ; PMFIVNTNVPRASVPDGFLS ELTQQLAQATGKPPQYIAVH VVPDQLMAFGGSSEPCALCS LHSIGKIGGAQNRSYSKLLC GLLAERLRISPDRVYINYYD MNAANVGWNNSTFA ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . PRO . 51224 2 2 . MET . 51224 2 3 . PHE . 51224 2 4 . ILE . 51224 2 5 . VAL . 51224 2 6 . ASN . 51224 2 7 . THR . 51224 2 8 . ASN . 51224 2 9 . VAL . 51224 2 10 . PRO . 51224 2 11 . ARG . 51224 2 12 . ALA . 51224 2 13 . SER . 51224 2 14 . VAL . 51224 2 15 . PRO . 51224 2 16 . ASP . 51224 2 17 . GLY . 51224 2 18 . PHE . 51224 2 19 . LEU . 51224 2 20 . SER . 51224 2 21 . GLU . 51224 2 22 . LEU . 51224 2 23 . THR . 51224 2 24 . GLN . 51224 2 25 . GLN . 51224 2 26 . LEU . 51224 2 27 . ALA . 51224 2 28 . GLN . 51224 2 29 . ALA . 51224 2 30 . THR . 51224 2 31 . GLY . 51224 2 32 . LYS . 51224 2 33 . PRO . 51224 2 34 . PRO . 51224 2 35 . GLN . 51224 2 36 . TYR . 51224 2 37 . ILE . 51224 2 38 . ALA . 51224 2 39 . VAL . 51224 2 40 . HIS . 51224 2 41 . VAL . 51224 2 42 . VAL . 51224 2 43 . PRO . 51224 2 44 . ASP . 51224 2 45 . GLN . 51224 2 46 . LEU . 51224 2 47 . MET . 51224 2 48 . ALA . 51224 2 49 . PHE . 51224 2 50 . GLY . 51224 2 51 . GLY . 51224 2 52 . SER . 51224 2 53 . SER . 51224 2 54 . GLU . 51224 2 55 . PRO . 51224 2 56 . CYS . 51224 2 57 . ALA . 51224 2 58 . LEU . 51224 2 59 . CYS . 51224 2 60 . SER . 51224 2 61 . LEU . 51224 2 62 . HIS . 51224 2 63 . SER . 51224 2 64 . ILE . 51224 2 65 . GLY . 51224 2 66 . LYS . 51224 2 67 . ILE . 51224 2 68 . GLY . 51224 2 69 . GLY . 51224 2 70 . ALA . 51224 2 71 . GLN . 51224 2 72 . ASN . 51224 2 73 . ARG . 51224 2 74 . SER . 51224 2 75 . TYR . 51224 2 76 . SER . 51224 2 77 . LYS . 51224 2 78 . LEU . 51224 2 79 . LEU . 51224 2 80 . CYS . 51224 2 81 . GLY . 51224 2 82 . LEU . 51224 2 83 . LEU . 51224 2 84 . ALA . 51224 2 85 . GLU . 51224 2 86 . ARG . 51224 2 87 . LEU . 51224 2 88 . ARG . 51224 2 89 . ILE . 51224 2 90 . SER . 51224 2 91 . PRO . 51224 2 92 . ASP . 51224 2 93 . ARG . 51224 2 94 . VAL . 51224 2 95 . TYR . 51224 2 96 . ILE . 51224 2 97 . ASN . 51224 2 98 . TYR . 51224 2 99 . TYR . 51224 2 100 . ASP . 51224 2 101 . MET . 51224 2 102 . ASN . 51224 2 103 . ALA . 51224 2 104 . ALA . 51224 2 105 . ASN . 51224 2 106 . VAL . 51224 2 107 . GLY . 51224 2 108 . TRP . 51224 2 109 . ASN . 51224 2 110 . ASN . 51224 2 111 . SER . 51224 2 112 . THR . 51224 2 113 . PHE . 51224 2 114 . ALA . 51224 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 . PRO 1 1 51224 2 . MET 2 2 51224 2 . PHE 3 3 51224 2 . ILE 4 4 51224 2 . VAL 5 5 51224 2 . ASN 6 6 51224 2 . THR 7 7 51224 2 . ASN 8 8 51224 2 . VAL 9 9 51224 2 . PRO 10 10 51224 2 . ARG 11 11 51224 2 . ALA 12 12 51224 2 . SER 13 13 51224 2 . VAL 14 14 51224 2 . PRO 15 15 51224 2 . ASP 16 16 51224 2 . GLY 17 17 51224 2 . PHE 18 18 51224 2 . LEU 19 19 51224 2 . SER 20 20 51224 2 . GLU 21 21 51224 2 . LEU 22 22 51224 2 . THR 23 23 51224 2 . GLN 24 24 51224 2 . GLN 25 25 51224 2 . LEU 26 26 51224 2 . ALA 27 27 51224 2 . GLN 28 28 51224 2 . ALA 29 29 51224 2 . THR 30 30 51224 2 . GLY 31 31 51224 2 . LYS 32 32 51224 2 . PRO 33 33 51224 2 . PRO 34 34 51224 2 . GLN 35 35 51224 2 . TYR 36 36 51224 2 . ILE 37 37 51224 2 . ALA 38 38 51224 2 . VAL 39 39 51224 2 . HIS 40 40 51224 2 . VAL 41 41 51224 2 . VAL 42 42 51224 2 . PRO 43 43 51224 2 . ASP 44 44 51224 2 . GLN 45 45 51224 2 . LEU 46 46 51224 2 . MET 47 47 51224 2 . ALA 48 48 51224 2 . PHE 49 49 51224 2 . GLY 50 50 51224 2 . GLY 51 51 51224 2 . SER 52 52 51224 2 . SER 53 53 51224 2 . GLU 54 54 51224 2 . PRO 55 55 51224 2 . CYS 56 56 51224 2 . ALA 57 57 51224 2 . LEU 58 58 51224 2 . CYS 59 59 51224 2 . SER 60 60 51224 2 . LEU 61 61 51224 2 . HIS 62 62 51224 2 . SER 63 63 51224 2 . ILE 64 64 51224 2 . GLY 65 65 51224 2 . LYS 66 66 51224 2 . ILE 67 67 51224 2 . GLY 68 68 51224 2 . GLY 69 69 51224 2 . ALA 70 70 51224 2 . GLN 71 71 51224 2 . ASN 72 72 51224 2 . ARG 73 73 51224 2 . SER 74 74 51224 2 . TYR 75 75 51224 2 . SER 76 76 51224 2 . LYS 77 77 51224 2 . LEU 78 78 51224 2 . LEU 79 79 51224 2 . CYS 80 80 51224 2 . GLY 81 81 51224 2 . LEU 82 82 51224 2 . LEU 83 83 51224 2 . ALA 84 84 51224 2 . GLU 85 85 51224 2 . ARG 86 86 51224 2 . LEU 87 87 51224 2 . ARG 88 88 51224 2 . ILE 89 89 51224 2 . SER 90 90 51224 2 . PRO 91 91 51224 2 . ASP 92 92 51224 2 . ARG 93 93 51224 2 . VAL 94 94 51224 2 . TYR 95 95 51224 2 . ILE 96 96 51224 2 . ASN 97 97 51224 2 . TYR 98 98 51224 2 . TYR 99 99 51224 2 . ASP 100 100 51224 2 . MET 101 101 51224 2 . ASN 102 102 51224 2 . ALA 103 103 51224 2 . ALA 104 104 51224 2 . ASN 105 105 51224 2 . VAL 106 106 51224 2 . GLY 107 107 51224 2 . TRP 108 108 51224 2 . ASN 109 109 51224 2 . ASN 110 110 51224 2 . SER 111 111 51224 2 . THR 112 112 51224 2 . PHE 113 113 51224 2 . ALA 114 114 51224 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 51224 _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 . . . . . . . . . . . . . 51224 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51224 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 51224 _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 . . . plasmid . . pET24a . . . 51224 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 51224 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51224 _Sample.ID 1 _Sample.Name 'Y99C MIF Mixed Trimer' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Y99C MIF monomer' '[U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 51224 1 2 'WT MIF monomer' '[U-99% 15N]' . . 2 $entity_2 . . 1.0 . . mM . . . . 51224 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51224 1 4 EDTA 'natural abundance' . . . . . . 1.0 . . mM . . . . 51224 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51224 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 51224 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Y99C MIF' _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' 20.0 . mM 51224 1 pH 7.0 . pH 51224 1 pressure 1 . atm 51224 1 temperature 303 . K 51224 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51224 _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 . 51224 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51224 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51224 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51224 _Software.ID 3 _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' . 51224 3 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 51224 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance NEO 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51224 _Experiment_list.ID 1 _Experiment_list.Details . 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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51224 1 2 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51224 1 3 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51224 1 4 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51224 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 51224 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 51224 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51224 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 51224 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Y99C MIF Mixed Trimers' _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' . . . 51224 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 $software_1 . . 51224 1 2 $software_2 . . 51224 1 3 $software_3 . . 51224 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 . 2 . 2 2 2 MET H H 1 8.705 . . . . . . . . 2 M H . 51224 1 2 . 2 . 2 2 2 MET N N 15 119.524 . . . . . . . . 2 M N . 51224 1 3 . 2 . 2 3 3 PHE H H 1 8.886 . . . . . . . . 3 F H . 51224 1 4 . 2 . 2 3 3 PHE N N 15 126.154 . . . . . . . . 3 F N . 51224 1 5 . 2 . 2 4 4 ILE H H 1 8.259 . . . . . . . . 4 I H . 51224 1 6 . 2 . 2 4 4 ILE N N 15 128.981 . . . . . . . . 4 I N . 51224 1 7 . 2 . 2 5 5 VAL H H 1 8.309 . . . . . . . . 5 V H . 51224 1 8 . 2 . 2 5 5 VAL N N 15 123.445 . . . . . . . . 5 V N . 51224 1 9 . 2 . 2 6 6 ASN H H 1 8.286 . . . . . . . . 6 N H . 51224 1 10 . 2 . 2 6 6 ASN N N 15 127.358 . . . . . . . . 6 N N . 51224 1 11 . 2 . 2 7 7 THR H H 1 9.095 . . . . . . . . 7 T H . 51224 1 12 . 2 . 2 7 7 THR N N 15 118.128 . . . . . . . . 7 T N . 51224 1 13 . 2 . 2 11 11 ARG H H 1 9.046 . . . . . . . . 11 R H . 51224 1 14 . 2 . 2 11 11 ARG N N 15 124.938 . . . . . . . . 11 R N . 51224 1 15 . 2 . 2 12 12 ALA H H 1 8.642 . . . . . . . . 12 A H . 51224 1 16 . 2 . 2 12 12 ALA N N 15 119.385 . . . . . . . . 12 A N . 51224 1 17 . 2 . 2 13 13 SER H H 1 7.839 . . . . . . . . 13 S H . 51224 1 18 . 2 . 2 13 13 SER N N 15 113.36 . . . . . . . . 13 S N . 51224 1 19 . 2 . 2 14 14 VAL H H 1 7.498 . . . . . . . . 14 V H . 51224 1 20 . 2 . 2 14 14 VAL N N 15 124.425 . . . . . . . . 14 V N . 51224 1 21 . 2 . 2 16 16 ASP H H 1 8.751 . . . . . . . . 16 D H . 51224 1 22 . 2 . 2 16 16 ASP N N 15 124.612 . . . . . . . . 16 D N . 51224 1 23 . 2 . 2 18 18 PHE H H 1 7.798 . . . . . . . . 18 F H . 51224 1 24 . 2 . 2 18 18 PHE N N 15 122.371 . . . . . . . . 18 F N . 51224 1 25 . 2 . 2 19 19 LEU H H 1 8.276 . . . . . . . . 19 L H . 51224 1 26 . 2 . 2 19 19 LEU N N 15 116.861 . . . . . . . . 19 L N . 51224 1 27 . 2 . 2 20 20 SER H H 1 7.923 . . . . . . . . 20 S H . 51224 1 28 . 2 . 2 20 20 SER N N 15 118.882 . . . . . . . . 20 S N . 51224 1 29 . 2 . 2 21 21 GLU H H 1 8.134 . . . . . . . . 21 E H . 51224 1 30 . 2 . 2 21 21 GLU N N 15 125.206 . . . . . . . . 21 E N . 51224 1 31 . 2 . 2 22 22 LEU H H 1 8.23 . . . . . . . . 22 L H . 51224 1 32 . 2 . 2 22 22 LEU N N 15 118.499 . . . . . . . . 22 L N . 51224 1 33 . 2 . 2 23 23 THR H H 1 7.372 . . . . . . . . 23 T H . 51224 1 34 . 2 . 2 23 23 THR N N 15 115.231 . . . . . . . . 23 T N . 51224 1 35 . 2 . 2 24 24 GLN H H 1 7.799 . . . . . . . . 24 Q H . 51224 1 36 . 2 . 2 24 24 GLN N N 15 120.049 . . . . . . . . 24 Q N . 51224 1 37 . 2 . 2 25 25 GLN H H 1 8.501 . . . . . . . . 25 Q H . 51224 1 38 . 2 . 2 25 25 GLN N N 15 118.613 . . . . . . . . 25 Q N . 51224 1 39 . 2 . 2 26 26 LEU H H 1 8.369 . . . . . . . . 26 L H . 51224 1 40 . 2 . 2 26 26 LEU N N 15 119.924 . . . . . . . . 26 L N . 51224 1 41 . 2 . 2 27 27 ALA H H 1 8.193 . . . . . . . . 27 A H . 51224 1 42 . 2 . 2 27 27 ALA N N 15 128.069 . . . . . . . . 27 A N . 51224 1 43 . 2 . 2 28 28 GLN H H 1 7.484 . . . . . . . . 28 Q H . 51224 1 44 . 2 . 2 28 28 GLN N N 15 117.18 . . . . . . . . 28 Q N . 51224 1 45 . 2 . 2 29 29 ALA H H 1 7.939 . . . . . . . . 29 A H . 51224 1 46 . 2 . 2 29 29 ALA N N 15 119.993 . . . . . . . . 29 A N . 51224 1 47 . 2 . 2 30 30 THR H H 1 7.964 . . . . . . . . 30 T H . 51224 1 48 . 2 . 2 30 30 THR N N 15 104.909 . . . . . . . . 30 T N . 51224 1 49 . 2 . 2 31 31 GLY H H 1 7.621 . . . . . . . . 31 G H . 51224 1 50 . 2 . 2 31 31 GLY N N 15 110.89 . . . . . . . . 31 G N . 51224 1 51 . 2 . 2 32 32 LYS H H 1 7.596 . . . . . . . . 32 K H . 51224 1 52 . 2 . 2 32 32 LYS N N 15 122.195 . . . . . . . . 32 K N . 51224 1 53 . 2 . 2 35 35 GLN H H 1 8.419 . . . . . . . . 35 Q H . 51224 1 54 . 2 . 2 35 35 GLN N N 15 114.984 . . . . . . . . 35 Q N . 51224 1 55 . 2 . 2 36 36 TYR H H 1 7.336 . . . . . . . . 36 Y H . 51224 1 56 . 2 . 2 36 36 TYR N N 15 114.469 . . . . . . . . 36 Y N . 51224 1 57 . 2 . 2 37 37 ILE H H 1 7.614 . . . . . . . . 37 I H . 51224 1 58 . 2 . 2 37 37 ILE N N 15 122.242 . . . . . . . . 37 I N . 51224 1 59 . 2 . 2 38 38 ALA H H 1 9.069 . . . . . . . . 38 A H . 51224 1 60 . 2 . 2 38 38 ALA N N 15 135.684 . . . . . . . . 38 A N . 51224 1 61 . 2 . 2 39 39 VAL H H 1 8.678 . . . . . . . . 39 V H . 51224 1 62 . 2 . 2 39 39 VAL N N 15 117.802 . . . . . . . . 39 V N . 51224 1 63 . 2 . 2 40 40 HIS H H 1 8.617 . . . . . . . . 40 H H . 51224 1 64 . 2 . 2 40 40 HIS N N 15 127.775 . . . . . . . . 40 H N . 51224 1 65 . 2 . 2 41 41 VAL H H 1 8.673 . . . . . . . . 41 V H . 51224 1 66 . 2 . 2 41 41 VAL N N 15 127.166 . . . . . . . . 41 V N . 51224 1 67 . 2 . 2 42 42 VAL H H 1 9.212 . . . . . . . . 42 V H . 51224 1 68 . 2 . 2 42 42 VAL N N 15 130.16 . . . . . . . . 42 V N . 51224 1 69 . 2 . 2 44 44 ASP H H 1 8.644 . . . . . . . . 44 D H . 51224 1 70 . 2 . 2 44 44 ASP N N 15 113.312 . . . . . . . . 44 D N . 51224 1 71 . 2 . 2 45 45 GLN H H 1 8.603 . . . . . . . . 45 Q H . 51224 1 72 . 2 . 2 45 45 GLN N N 15 115.993 . . . . . . . . 45 Q N . 51224 1 73 . 2 . 2 47 47 MET H H 1 7.633 . . . . . . . . 47 M H . 51224 1 74 . 2 . 2 47 47 MET N N 15 123.218 . . . . . . . . 47 M N . 51224 1 75 . 2 . 2 48 48 ALA H H 1 8.902 . . . . . . . . 48 A H . 51224 1 76 . 2 . 2 48 48 ALA N N 15 122.725 . . . . . . . . 48 A N . 51224 1 77 . 2 . 2 49 49 PHE H H 1 8.314 . . . . . . . . 49 F H . 51224 1 78 . 2 . 2 49 49 PHE N N 15 122.423 . . . . . . . . 49 F N . 51224 1 79 . 2 . 2 50 50 GLY H H 1 9.002 . . . . . . . . 50 G H . 51224 1 80 . 2 . 2 50 50 GLY N N 15 120.899 . . . . . . . . 50 G N . 51224 1 81 . 2 . 2 51 51 GLY H H 1 9.571 . . . . . . . . 51 G H . 51224 1 82 . 2 . 2 51 51 GLY N N 15 107.403 . . . . . . . . 51 G N . 51224 1 83 . 2 . 2 52 52 SER H H 1 7.479 . . . . . . . . 52 S H . 51224 1 84 . 2 . 2 52 52 SER N N 15 115.004 . . . . . . . . 52 S N . 51224 1 85 . 2 . 2 54 54 GLU H H 1 7.588 . . . . . . . . 54 E H . 51224 1 86 . 2 . 2 54 54 GLU N N 15 120.863 . . . . . . . . 54 E N . 51224 1 87 . 2 . 2 56 56 CYS H H 1 9.483 . . . . . . . . 56 C H . 51224 1 88 . 2 . 2 56 56 CYS N N 15 123.187 . . . . . . . . 56 C N . 51224 1 89 . 2 . 2 57 57 ALA H H 1 8.776 . . . . . . . . 57 A H . 51224 1 90 . 2 . 2 57 57 ALA N N 15 120.903 . . . . . . . . 57 A N . 51224 1 91 . 2 . 2 58 58 LEU H H 1 8.631 . . . . . . . . 58 L H . 51224 1 92 . 2 . 2 58 58 LEU N N 15 120.267 . . . . . . . . 58 L N . 51224 1 93 . 2 . 2 59 59 CYS H H 1 9.06 . . . . . . . . 59 C H . 51224 1 94 . 2 . 2 59 59 CYS N N 15 122.334 . . . . . . . . 59 C N . 51224 1 95 . 2 . 2 62 62 HIS H H 1 9.084 . . . . . . . . 62 H H . 51224 1 96 . 2 . 2 62 62 HIS N N 15 125.526 . . . . . . . . 62 H N . 51224 1 97 . 2 . 2 63 63 SER H H 1 8.462 . . . . . . . . 63 S H . 51224 1 98 . 2 . 2 63 63 SER N N 15 116.015 . . . . . . . . 63 S N . 51224 1 99 . 2 . 2 64 64 ILE H H 1 7.844 . . . . . . . . 64 I H . 51224 1 100 . 2 . 2 64 64 ILE N N 15 129.258 . . . . . . . . 64 I N . 51224 1 101 . 2 . 2 65 65 GLY H H 1 7.917 . . . . . . . . 65 G H . 51224 1 102 . 2 . 2 65 65 GLY N N 15 119.343 . . . . . . . . 65 G N . 51224 1 103 . 2 . 2 66 66 LYS H H 1 8.299 . . . . . . . . 66 K H . 51224 1 104 . 2 . 2 66 66 LYS N N 15 110.827 . . . . . . . . 66 K N . 51224 1 105 . 2 . 2 67 67 ILE H H 1 7.371 . . . . . . . . 67 I H . 51224 1 106 . 2 . 2 67 67 ILE N N 15 118.588 . . . . . . . . 67 I N . 51224 1 107 . 2 . 2 68 68 GLY H H 1 7.647 . . . . . . . . 68 G H . 51224 1 108 . 2 . 2 68 68 GLY N N 15 115.077 . . . . . . . . 68 G N . 51224 1 109 . 2 . 2 72 72 ASN H H 1 7.971 . . . . . . . . 72 N H . 51224 1 110 . 2 . 2 72 72 ASN N N 15 118.145 . . . . . . . . 72 N N . 51224 1 111 . 2 . 2 73 73 ARG H H 1 7.43 . . . . . . . . 73 R H . 51224 1 112 . 2 . 2 73 73 ARG N N 15 122.452 . . . . . . . . 73 R N . 51224 1 113 . 2 . 2 74 74 SER H H 1 7.12 . . . . . . . . 74 S H . 51224 1 114 . 2 . 2 74 74 SER N N 15 116.56 . . . . . . . . 74 S N . 51224 1 115 . 2 . 2 75 75 TYR H H 1 8.506 . . . . . . . . 75 Y H . 51224 1 116 . 2 . 2 75 75 TYR N N 15 122.198 . . . . . . . . 75 Y N . 51224 1 117 . 2 . 2 76 76 SER H H 1 8.15 . . . . . . . . 76 S H . 51224 1 118 . 2 . 2 76 76 SER N N 15 116.965 . . . . . . . . 76 S N . 51224 1 119 . 2 . 2 77 77 LYS H H 1 7.524 . . . . . . . . 77 K H . 51224 1 120 . 2 . 2 77 77 LYS N N 15 124.875 . . . . . . . . 77 K N . 51224 1 121 . 2 . 2 78 78 LEU H H 1 7.47 . . . . . . . . 78 L H . 51224 1 122 . 2 . 2 78 78 LEU N N 15 120.74 . . . . . . . . 78 L N . 51224 1 123 . 2 . 2 79 79 LEU H H 1 8.932 . . . . . . . . 79 L H . 51224 1 124 . 2 . 2 79 79 LEU N N 15 118.932 . . . . . . . . 79 L N . 51224 1 125 . 2 . 2 80 80 CYS H H 1 8.644 . . . . . . . . 80 C H . 51224 1 126 . 2 . 2 80 80 CYS N N 15 116.69 . . . . . . . . 80 C N . 51224 1 127 . 2 . 2 81 81 GLY H H 1 7.637 . . . . . . . . 81 G H . 51224 1 128 . 2 . 2 81 81 GLY N N 15 108.525 . . . . . . . . 81 G N . 51224 1 129 . 2 . 2 82 82 LEU H H 1 7.74 . . . . . . . . 82 L H . 51224 1 130 . 2 . 2 82 82 LEU N N 15 123.675 . . . . . . . . 82 L N . 51224 1 131 . 2 . 2 83 83 LEU H H 1 8.289 . . . . . . . . 83 L H . 51224 1 132 . 2 . 2 83 83 LEU N N 15 119.731 . . . . . . . . 83 L N . 51224 1 133 . 2 . 2 84 84 ALA H H 1 8.112 . . . . . . . . 84 A H . 51224 1 134 . 2 . 2 84 84 ALA N N 15 123.621 . . . . . . . . 84 A N . 51224 1 135 . 2 . 2 85 85 GLU H H 1 8.11 . . . . . . . . 85 E H . 51224 1 136 . 2 . 2 85 85 GLU N N 15 118.257 . . . . . . . . 85 E N . 51224 1 137 . 2 . 2 86 86 ARG H H 1 8.398 . . . . . . . . 86 R H . 51224 1 138 . 2 . 2 86 86 ARG N N 15 112.342 . . . . . . . . 86 R N . 51224 1 139 . 2 . 2 87 87 LEU H H 1 7.027 . . . . . . . . 87 L H . 51224 1 140 . 2 . 2 87 87 LEU N N 15 114.537 . . . . . . . . 87 L N . 51224 1 141 . 2 . 2 88 88 ARG H H 1 6.947 . . . . . . . . 88 R H . 51224 1 142 . 2 . 2 88 88 ARG N N 15 113.746 . . . . . . . . 88 R N . 51224 1 143 . 2 . 2 89 89 ILE H H 1 6.821 . . . . . . . . 89 I H . 51224 1 144 . 2 . 2 89 89 ILE N N 15 119.874 . . . . . . . . 89 I N . 51224 1 145 . 2 . 2 90 90 SER H H 1 8.895 . . . . . . . . 90 S H . 51224 1 146 . 2 . 2 90 90 SER N N 15 125.122 . . . . . . . . 90 S N . 51224 1 147 . 2 . 2 92 92 ASP H H 1 7.21 . . . . . . . . 92 D H . 51224 1 148 . 2 . 2 92 92 ASP N N 15 112.217 . . . . . . . . 92 D N . 51224 1 149 . 2 . 2 93 93 ARG H H 1 8.063 . . . . . . . . 93 R H . 51224 1 150 . 2 . 2 93 93 ARG N N 15 124.582 . . . . . . . . 93 R N . 51224 1 151 . 2 . 2 95 95 TYR H H 1 7.825 . . . . . . . . 95 Y H . 51224 1 152 . 2 . 2 95 95 TYR N N 15 120 . . . . . . . . 95 Y N . 51224 1 153 . 2 . 2 96 96 ILE H H 1 8.841 . . . . . . . . 96 I H . 51224 1 154 . 2 . 2 96 96 ILE N N 15 120.756 . . . . . . . . 96 I N . 51224 1 155 . 2 . 2 97 97 ASN H H 1 8.198 . . . . . . . . 97 N H . 51224 1 156 . 2 . 2 97 97 ASN N N 15 126.872 . . . . . . . . 97 N N . 51224 1 157 . 2 . 2 98 98 TYR H H 1 8.45 . . . . . . . . 98 Y H . 51224 1 158 . 2 . 2 98 98 TYR N N 15 122.273 . . . . . . . . 98 Y N . 51224 1 159 . 2 . 2 99 99 TYR H H 1 8.682 . . . . . . . . 99 Y H . 51224 1 160 . 2 . 2 99 99 TYR N N 15 120.848 . . . . . . . . 99 Y N . 51224 1 161 . 2 . 2 100 100 ASP H H 1 8.615 . . . . . . . . 100 D H . 51224 1 162 . 2 . 2 100 100 ASP N N 15 125.322 . . . . . . . . 100 D N . 51224 1 163 . 2 . 2 101 101 MET H H 1 8.959 . . . . . . . . 101 M H . 51224 1 164 . 2 . 2 101 101 MET N N 15 126.694 . . . . . . . . 101 M N . 51224 1 165 . 2 . 2 102 102 ASN H H 1 8.679 . . . . . . . . 102 N H . 51224 1 166 . 2 . 2 102 102 ASN N N 15 123.242 . . . . . . . . 102 N N . 51224 1 167 . 2 . 2 103 103 ALA H H 1 9.019 . . . . . . . . 103 A H . 51224 1 168 . 2 . 2 103 103 ALA N N 15 131.346 . . . . . . . . 103 A N . 51224 1 169 . 2 . 2 104 104 ALA H H 1 8.209 . . . . . . . . 104 A H . 51224 1 170 . 2 . 2 104 104 ALA N N 15 115.487 . . . . . . . . 104 A N . 51224 1 171 . 2 . 2 105 105 ASN H H 1 8.16 . . . . . . . . 105 N H . 51224 1 172 . 2 . 2 105 105 ASN N N 15 115.071 . . . . . . . . 105 N N . 51224 1 173 . 2 . 2 106 106 VAL H H 1 7.257 . . . . . . . . 106 V H . 51224 1 174 . 2 . 2 106 106 VAL N N 15 120.43 . . . . . . . . 106 V N . 51224 1 175 . 2 . 2 107 107 GLY H H 1 10.448 . . . . . . . . 107 G H . 51224 1 176 . 2 . 2 107 107 GLY N N 15 114.126 . . . . . . . . 107 G N . 51224 1 177 . 2 . 2 108 108 TRP H H 1 8.504 . . . . . . . . 108 W H . 51224 1 178 . 2 . 2 108 108 TRP N N 15 122.95 . . . . . . . . 108 W N . 51224 1 179 . 2 . 2 109 109 ASN H H 1 7.056 . . . . . . . . 109 N H . 51224 1 180 . 2 . 2 109 109 ASN N N 15 127.459 . . . . . . . . 109 N N . 51224 1 181 . 2 . 2 110 110 ASN H H 1 7.114 . . . . . . . . 110 N H . 51224 1 182 . 2 . 2 110 110 ASN N N 15 105.622 . . . . . . . . 110 N N . 51224 1 183 . 2 . 2 111 111 SER H H 1 7.582 . . . . . . . . 111 S H . 51224 1 184 . 2 . 2 111 111 SER N N 15 114.8 . . . . . . . . 111 S N . 51224 1 185 . 2 . 2 112 112 THR H H 1 8.545 . . . . . . . . 112 T H . 51224 1 186 . 2 . 2 112 112 THR N N 15 112.238 . . . . . . . . 112 T N . 51224 1 187 . 2 . 2 113 113 PHE H H 1 8.077 . . . . . . . . 113 F H . 51224 1 188 . 2 . 2 113 113 PHE N N 15 119.215 . . . . . . . . 113 F N . 51224 1 189 . 2 . 2 114 114 ALA H H 1 7.301 . . . . . . . . 114 A H . 51224 1 190 . 2 . 2 114 114 ALA N N 15 127.586 . . . . . . . . 114 A N . 51224 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51224 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'Y99C MIF Mixed Trimers hetNOE' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 4 '1H-15N heteronoe' . . . 51224 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51224 1 2 $software_2 . . 51224 1 3 $software_3 . . 51224 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 2 2 3 3 PHE N N 15 . 2 2 3 3 PHE H H 1 0.731564026 . . . . . . . . . . . 51224 1 2 . 2 2 4 4 ILE N N 15 . 2 2 4 4 ILE H H 1 0.943858684 . . . . . . . . . . . 51224 1 3 . 2 2 5 5 VAL N N 15 . 2 2 5 5 VAL H H 1 0.819408623 . . . . . . . . . . . 51224 1 4 . 2 2 6 6 ASN N N 15 . 2 2 6 6 ASN H H 1 0.84882625 . . . . . . . . . . . 51224 1 5 . 2 2 7 7 THR N N 15 . 2 2 7 7 THR H H 1 0.900374079 . . . . . . . . . . . 51224 1 6 . 2 2 11 11 ARG N N 15 . 2 2 11 11 ARG H H 1 0.789948211 . . . . . . . . . . . 51224 1 7 . 2 2 12 12 ALA N N 15 . 2 2 12 12 ALA H H 1 0.852278443 . . . . . . . . . . . 51224 1 8 . 2 2 13 13 SER N N 15 . 2 2 13 13 SER H H 1 0.841781746 . . . . . . . . . . . 51224 1 9 . 2 2 14 14 VAL N N 15 . 2 2 14 14 VAL H H 1 0.820319854 . . . . . . . . . . . 51224 1 10 . 2 2 16 16 ASP N N 15 . 2 2 16 16 ASP H H 1 0.815411234 . . . . . . . . . . . 51224 1 11 . 2 2 18 18 PHE N N 15 . 2 2 18 18 PHE H H 1 0.811145126 . . . . . . . . . . . 51224 1 12 . 2 2 19 19 LEU N N 15 . 2 2 19 19 LEU H H 1 0.835654682 . . . . . . . . . . . 51224 1 13 . 2 2 20 20 SER N N 15 . 2 2 20 20 SER H H 1 0.803493941 . . . . . . . . . . . 51224 1 14 . 2 2 21 21 GLU N N 15 . 2 2 21 21 GLU H H 1 0.843941008 . . . . . . . . . . . 51224 1 15 . 2 2 22 22 LEU N N 15 . 2 2 22 22 LEU H H 1 0.822565591 . . . . . . . . . . . 51224 1 16 . 2 2 24 24 GLN N N 15 . 2 2 24 24 GLN H H 1 0.755642529 . . . . . . . . . . . 51224 1 17 . 2 2 25 25 GLN N N 15 . 2 2 25 25 GLN H H 1 0.848577792 . . . . . . . . . . . 51224 1 18 . 2 2 26 26 LEU N N 15 . 2 2 26 26 LEU H H 1 0.820462271 . . . . . . . . . . . 51224 1 19 . 2 2 27 27 ALA N N 15 . 2 2 27 27 ALA H H 1 0.856949672 . . . . . . . . . . . 51224 1 20 . 2 2 28 28 GLN N N 15 . 2 2 28 28 GLN H H 1 0.762241739 . . . . . . . . . . . 51224 1 21 . 2 2 29 29 ALA N N 15 . 2 2 29 29 ALA H H 1 0.809344221 . . . . . . . . . . . 51224 1 22 . 2 2 32 32 LYS N N 15 . 2 2 32 32 LYS H H 1 0.789325901 . . . . . . . . . . . 51224 1 23 . 2 2 35 35 GLN N N 15 . 2 2 35 35 GLN H H 1 0.697332121 . . . . . . . . . . . 51224 1 24 . 2 2 36 36 TYR N N 15 . 2 2 36 36 TYR H H 1 0.758655457 . . . . . . . . . . . 51224 1 25 . 2 2 39 39 VAL N N 15 . 2 2 39 39 VAL H H 1 0.819917029 . . . . . . . . . . . 51224 1 26 . 2 2 40 40 HIS N N 15 . 2 2 40 40 HIS H H 1 0.765173937 . . . . . . . . . . . 51224 1 27 . 2 2 41 41 VAL N N 15 . 2 2 41 41 VAL H H 1 0.80942147 . . . . . . . . . . . 51224 1 28 . 2 2 42 42 VAL N N 15 . 2 2 42 42 VAL H H 1 0.875658834 . . . . . . . . . . . 51224 1 29 . 2 2 44 44 ASP N N 15 . 2 2 44 44 ASP H H 1 0.838311978 . . . . . . . . . . . 51224 1 30 . 2 2 45 45 GLN N N 15 . 2 2 45 45 GLN H H 1 0.854654577 . . . . . . . . . . . 51224 1 31 . 2 2 48 48 ALA N N 15 . 2 2 48 48 ALA H H 1 0.747557348 . . . . . . . . . . . 51224 1 32 . 2 2 49 49 PHE N N 15 . 2 2 49 49 PHE H H 1 0.607843998 . . . . . . . . . . . 51224 1 33 . 2 2 50 50 GLY N N 15 . 2 2 50 50 GLY H H 1 0.88403201 . . . . . . . . . . . 51224 1 34 . 2 2 51 51 GLY N N 15 . 2 2 51 51 GLY H H 1 0.81525159 . . . . . . . . . . . 51224 1 35 . 2 2 52 52 SER N N 15 . 2 2 52 52 SER H H 1 0.8273613 . . . . . . . . . . . 51224 1 36 . 2 2 54 54 GLU N N 15 . 2 2 54 54 GLU H H 1 0.838379579 . . . . . . . . . . . 51224 1 37 . 2 2 56 56 CYS N N 15 . 2 2 56 56 CYS H H 1 0.823721419 . . . . . . . . . . . 51224 1 38 . 2 2 57 57 ALA N N 15 . 2 2 57 57 ALA H H 1 0.890172871 . . . . . . . . . . . 51224 1 39 . 2 2 58 58 LEU N N 15 . 2 2 58 58 LEU H H 1 0.820787239 . . . . . . . . . . . 51224 1 40 . 2 2 59 59 CYS N N 15 . 2 2 59 59 CYS H H 1 0.83117127 . . . . . . . . . . . 51224 1 41 . 2 2 62 62 HIS N N 15 . 2 2 62 62 HIS H H 1 0.890095767 . . . . . . . . . . . 51224 1 42 . 2 2 63 63 SER N N 15 . 2 2 63 63 SER H H 1 0.693833833 . . . . . . . . . . . 51224 1 43 . 2 2 67 67 ILE N N 15 . 2 2 67 67 ILE H H 1 0.71718065 . . . . . . . . . . . 51224 1 44 . 2 2 68 68 GLY N N 15 . 2 2 68 68 GLY H H 1 0.766066843 . . . . . . . . . . . 51224 1 45 . 2 2 72 72 ASN N N 15 . 2 2 72 72 ASN H H 1 0.753827426 . . . . . . . . . . . 51224 1 46 . 2 2 74 74 SER N N 15 . 2 2 74 74 SER H H 1 0.842015873 . . . . . . . . . . . 51224 1 47 . 2 2 76 76 SER N N 15 . 2 2 76 76 SER H H 1 0.886431962 . . . . . . . . . . . 51224 1 48 . 2 2 77 77 LYS N N 15 . 2 2 77 77 LYS H H 1 0.836098007 . . . . . . . . . . . 51224 1 49 . 2 2 78 78 LEU N N 15 . 2 2 78 78 LEU H H 1 0.840425972 . . . . . . . . . . . 51224 1 50 . 2 2 79 79 LEU N N 15 . 2 2 79 79 LEU H H 1 0.861876248 . . . . . . . . . . . 51224 1 51 . 2 2 80 80 CYS N N 15 . 2 2 80 80 CYS H H 1 0.844268096 . . . . . . . . . . . 51224 1 52 . 2 2 81 81 GLY N N 15 . 2 2 81 81 GLY H H 1 0.911291343 . . . . . . . . . . . 51224 1 53 . 2 2 82 82 LEU N N 15 . 2 2 82 82 LEU H H 1 0.856400106 . . . . . . . . . . . 51224 1 54 . 2 2 83 83 LEU N N 15 . 2 2 83 83 LEU H H 1 0.806173828 . . . . . . . . . . . 51224 1 55 . 2 2 84 84 ALA N N 15 . 2 2 84 84 ALA H H 1 0.818130846 . . . . . . . . . . . 51224 1 56 . 2 2 85 85 GLU N N 15 . 2 2 85 85 GLU H H 1 0.805383922 . . . . . . . . . . . 51224 1 57 . 2 2 86 86 ARG N N 15 . 2 2 86 86 ARG H H 1 0.790835818 . . . . . . . . . . . 51224 1 58 . 2 2 87 87 LEU N N 15 . 2 2 87 87 LEU H H 1 0.847512354 . . . . . . . . . . . 51224 1 59 . 2 2 88 88 ARG N N 15 . 2 2 88 88 ARG H H 1 0.832508899 . . . . . . . . . . . 51224 1 60 . 2 2 89 89 ILE N N 15 . 2 2 89 89 ILE H H 1 0.803351884 . . . . . . . . . . . 51224 1 61 . 2 2 90 90 SER N N 15 . 2 2 90 90 SER H H 1 0.857153767 . . . . . . . . . . . 51224 1 62 . 2 2 92 92 ASP N N 15 . 2 2 92 92 ASP H H 1 0.953025091 . . . . . . . . . . . 51224 1 63 . 2 2 93 93 ARG N N 15 . 2 2 93 93 ARG H H 1 0.834296048 . . . . . . . . . . . 51224 1 64 . 2 2 98 98 TYR N N 15 . 2 2 98 98 TYR H H 1 0.829280175 . . . . . . . . . . . 51224 1 65 . 2 2 99 99 TYR N N 15 . 2 2 99 99 TYR H H 1 0.86860433 . . . . . . . . . . . 51224 1 66 . 2 2 100 100 ASP N N 15 . 2 2 100 100 ASP H H 1 0.708345645 . . . . . . . . . . . 51224 1 67 . 2 2 101 101 MET N N 15 . 2 2 101 101 MET H H 1 0.850276457 . . . . . . . . . . . 51224 1 68 . 2 2 102 102 ASN N N 15 . 2 2 102 102 ASN H H 1 0.727907634 . . . . . . . . . . . 51224 1 69 . 2 2 103 103 ALA N N 15 . 2 2 103 103 ALA H H 1 0.848209997 . . . . . . . . . . . 51224 1 70 . 2 2 104 104 ALA N N 15 . 2 2 104 104 ALA H H 1 0.790546372 . . . . . . . . . . . 51224 1 71 . 2 2 105 105 ASN N N 15 . 2 2 105 105 ASN H H 1 0.760908181 . . . . . . . . . . . 51224 1 72 . 2 2 106 106 VAL N N 15 . 2 2 106 106 VAL H H 1 0.857824078 . . . . . . . . . . . 51224 1 73 . 2 2 108 108 TRP N N 15 . 2 2 108 108 TRP H H 1 0.754620153 . . . . . . . . . . . 51224 1 74 . 2 2 109 109 ASN N N 15 . 2 2 109 109 ASN H H 1 0.887201524 . . . . . . . . . . . 51224 1 75 . 2 2 110 110 ASN N N 15 . 2 2 110 110 ASN H H 1 0.78238743 . . . . . . . . . . . 51224 1 76 . 2 2 111 111 SER N N 15 . 2 2 111 111 SER H H 1 0.82284878 . . . . . . . . . . . 51224 1 77 . 2 2 113 113 PHE N N 15 . 2 2 113 113 PHE H H 1 0.32091948 . . . . . . . . . . . 51224 1 78 . 2 2 114 114 ALA N N 15 . 2 2 114 114 ALA H H 1 0.478510978 . . . . . . . . . . . 51224 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 51224 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'Y99C MIF Mixed Trimers T1' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 2 'T1/R1 relaxation' . . . 51224 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51224 1 2 $software_2 . . 51224 1 3 $software_3 . . 51224 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 3 3 PHE N N 15 1.017 0.0938 . . . . . 51224 1 2 . 2 2 4 4 ILE N N 15 1.085 0.035 . . . . . 51224 1 3 . 2 2 5 5 VAL N N 15 1.107 0.119 . . . . . 51224 1 4 . 2 2 6 6 ASN N N 15 1.141 0.038 . . . . . 51224 1 5 . 2 2 11 11 ARG N N 15 1.118 0.0455 . . . . . 51224 1 6 . 2 2 12 12 ALA N N 15 1.149 0.0281 . . . . . 51224 1 7 . 2 2 13 13 SER N N 15 1.198 0.0245 . . . . . 51224 1 8 . 2 2 14 14 VAL N N 15 1.188 0.0257 . . . . . 51224 1 9 . 2 2 16 16 ASP N N 15 1.184 0.0331 . . . . . 51224 1 10 . 2 2 18 18 PHE N N 15 1.09 0.0426 . . . . . 51224 1 11 . 2 2 19 19 LEU N N 15 1.146 0.0324 . . . . . 51224 1 12 . 2 2 20 20 SER N N 15 1.126 0.0354 . . . . . 51224 1 13 . 2 2 21 21 GLU N N 15 1.109 0.0511 . . . . . 51224 1 14 . 2 2 22 22 LEU N N 15 1.076 0.0433 . . . . . 51224 1 15 . 2 2 25 25 GLN N N 15 1.1 0.0373 . . . . . 51224 1 16 . 2 2 26 26 LEU N N 15 1.026 0.0363 . . . . . 51224 1 17 . 2 2 27 27 ALA N N 15 1.062 0.123 . . . . . 51224 1 18 . 2 2 28 28 GLN N N 15 1.083 0.033 . . . . . 51224 1 19 . 2 2 29 29 ALA N N 15 1.121 0.0264 . . . . . 51224 1 20 . 2 2 30 30 THR N N 15 1.032 0.172 . . . . . 51224 1 21 . 2 2 31 31 GLY N N 15 1.098 0.136 . . . . . 51224 1 22 . 2 2 32 32 LYS N N 15 1.293 0.0957 . . . . . 51224 1 23 . 2 2 36 36 TYR N N 15 1.178 0.0842 . . . . . 51224 1 24 . 2 2 39 39 VAL N N 15 1.14 0.061 . . . . . 51224 1 25 . 2 2 40 40 HIS N N 15 1.151 0.0744 . . . . . 51224 1 26 . 2 2 41 41 VAL N N 15 1.117 0.0645 . . . . . 51224 1 27 . 2 2 42 42 VAL N N 15 1.141 0.0642 . . . . . 51224 1 28 . 2 2 44 44 ASP N N 15 1.158 0.0395 . . . . . 51224 1 29 . 2 2 45 45 GLN N N 15 1.123 0.0205 . . . . . 51224 1 30 . 2 2 47 47 MET N N 15 1.17 0.0533 . . . . . 51224 1 31 . 2 2 48 48 ALA N N 15 1.174 0.0937 . . . . . 51224 1 32 . 2 2 49 49 PHE N N 15 0.8624 0.0385 . . . . . 51224 1 33 . 2 2 50 50 GLY N N 15 1.13 0.144 . . . . . 51224 1 34 . 2 2 51 51 GLY N N 15 1.102 0.0382 . . . . . 51224 1 35 . 2 2 52 52 SER N N 15 1.164 0.0176 . . . . . 51224 1 36 . 2 2 54 54 GLU N N 15 1.127 0.0561 . . . . . 51224 1 37 . 2 2 56 56 CYS N N 15 1.127 0.0416 . . . . . 51224 1 38 . 2 2 57 57 ALA N N 15 1.154 0.0274 . . . . . 51224 1 39 . 2 2 58 58 LEU N N 15 1.293 0.131 . . . . . 51224 1 40 . 2 2 59 59 CYS N N 15 1.144 0.0424 . . . . . 51224 1 41 . 2 2 62 62 HIS N N 15 1.213 0.111 . . . . . 51224 1 42 . 2 2 63 63 SER N N 15 1.046 0.0953 . . . . . 51224 1 43 . 2 2 67 67 ILE N N 15 1.086 0.0243 . . . . . 51224 1 44 . 2 2 68 68 GLY N N 15 1.122 0.0323 . . . . . 51224 1 45 . 2 2 72 72 ASN N N 15 1.023 0.0824 . . . . . 51224 1 46 . 2 2 74 74 SER N N 15 1.137 0.0333 . . . . . 51224 1 47 . 2 2 76 76 SER N N 15 1.145 0.0363 . . . . . 51224 1 48 . 2 2 77 77 LYS N N 15 1.079 0.0255 . . . . . 51224 1 49 . 2 2 78 78 LEU N N 15 1.202 0.0494 . . . . . 51224 1 50 . 2 2 79 79 LEU N N 15 1.156 0.0596 . . . . . 51224 1 51 . 2 2 80 80 CYS N N 15 1.108 0.0692 . . . . . 51224 1 52 . 2 2 81 81 GLY N N 15 1.048 0.0168 . . . . . 51224 1 53 . 2 2 82 82 LEU N N 15 1.084 0.0304 . . . . . 51224 1 54 . 2 2 83 83 LEU N N 15 1.111 0.0224 . . . . . 51224 1 55 . 2 2 84 84 ALA N N 15 1.074 0.0283 . . . . . 51224 1 56 . 2 2 85 85 GLU N N 15 1.155 0.0367 . . . . . 51224 1 57 . 2 2 86 86 ARG N N 15 1.142 0.0485 . . . . . 51224 1 58 . 2 2 87 87 LEU N N 15 1.168 0.025 . . . . . 51224 1 59 . 2 2 88 88 ARG N N 15 1.166 0.0454 . . . . . 51224 1 60 . 2 2 89 89 ILE N N 15 1.195 0.0323 . . . . . 51224 1 61 . 2 2 90 90 SER N N 15 1.155 0.0503 . . . . . 51224 1 62 . 2 2 92 92 ASP N N 15 1.171 0.0301 . . . . . 51224 1 63 . 2 2 93 93 ARG N N 15 1.169 0.0379 . . . . . 51224 1 64 . 2 2 95 95 TYR N N 15 0.8927 0.0581 . . . . . 51224 1 65 . 2 2 97 97 ASN N N 15 0.9441 0.178 . . . . . 51224 1 66 . 2 2 98 98 TYR N N 15 1.028 0.0295 . . . . . 51224 1 67 . 2 2 99 99 TYR N N 15 1.155 0.0414 . . . . . 51224 1 68 . 2 2 100 100 ASP N N 15 1.113 0.0649 . . . . . 51224 1 69 . 2 2 101 101 MET N N 15 1.181 0.125 . . . . . 51224 1 70 . 2 2 102 102 ASN N N 15 1.073 0.042 . . . . . 51224 1 71 . 2 2 103 103 ALA N N 15 1.144 0.122 . . . . . 51224 1 72 . 2 2 104 104 ALA N N 15 1.086 0.0835 . . . . . 51224 1 73 . 2 2 105 105 ASN N N 15 1.221 0.0722 . . . . . 51224 1 74 . 2 2 106 106 VAL N N 15 1.08 0.0494 . . . . . 51224 1 75 . 2 2 107 107 GLY N N 15 1.296 0.24 . . . . . 51224 1 76 . 2 2 108 108 TRP N N 15 1.121 0.105 . . . . . 51224 1 77 . 2 2 109 109 ASN N N 15 1.152 0.0532 . . . . . 51224 1 78 . 2 2 110 110 ASN N N 15 1.169 0.104 . . . . . 51224 1 79 . 2 2 111 111 SER N N 15 1.099 0.0424 . . . . . 51224 1 80 . 2 2 113 113 PHE N N 15 0.7329 0.0476 . . . . . 51224 1 81 . 2 2 114 114 ALA N N 15 0.8947 0.0388 . . . . . 51224 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 51224 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'Y99C MIF mixed trimers T2' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 'T2/R2 relaxation' . . . 51224 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51224 1 2 $software_2 . . 51224 1 3 $software_3 . . 51224 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 3 3 PHE N N 15 43.5 2.79 . . . . . . . 51224 1 2 . 2 2 4 4 ILE N N 15 45.69 5.93 . . . . . . . 51224 1 3 . 2 2 5 5 VAL N N 15 53.87 3.23 . . . . . . . 51224 1 4 . 2 2 6 6 ASN N N 15 52.54 1.23 . . . . . . . 51224 1 5 . 2 2 7 7 THR N N 15 45.51 3.01 . . . . . . . 51224 1 6 . 2 2 11 11 ARG N N 15 54.27 1.85 . . . . . . . 51224 1 7 . 2 2 12 12 ALA N N 15 47.76 0.343 . . . . . . . 51224 1 8 . 2 2 13 13 SER N N 15 53.78 0.736 . . . . . . . 51224 1 9 . 2 2 14 14 VAL N N 15 48.17 0.576 . . . . . . . 51224 1 10 . 2 2 16 16 ASP N N 15 54.55 0.842 . . . . . . . 51224 1 11 . 2 2 18 18 PHE N N 15 48.08 0.724 . . . . . . . 51224 1 12 . 2 2 19 19 LEU N N 15 52.25 0.923 . . . . . . . 51224 1 13 . 2 2 20 20 SER N N 15 48.94 0.618 . . . . . . . 51224 1 14 . 2 2 21 21 GLU N N 15 51.07 0.786 . . . . . . . 51224 1 15 . 2 2 22 22 LEU N N 15 49.53 0.485 . . . . . . . 51224 1 16 . 2 2 25 25 GLN N N 15 47.69 1.66 . . . . . . . 51224 1 17 . 2 2 26 26 LEU N N 15 51.21 3.65 . . . . . . . 51224 1 18 . 2 2 27 27 ALA N N 15 47.99 1.09 . . . . . . . 51224 1 19 . 2 2 28 28 GLN N N 15 53.94 4.54 . . . . . . . 51224 1 20 . 2 2 29 29 ALA N N 15 50.26 0.859 . . . . . . . 51224 1 21 . 2 2 30 30 THR N N 15 69.21 8.28 . . . . . . . 51224 1 22 . 2 2 31 31 GLY N N 15 56 5.38 . . . . . . . 51224 1 23 . 2 2 32 32 LYS N N 15 41.51 5.04 . . . . . . . 51224 1 24 . 2 2 35 35 GLN N N 15 53.71 4.61 . . . . . . . 51224 1 25 . 2 2 36 36 TYR N N 15 68.72 16.7 . . . . . . . 51224 1 26 . 2 2 39 39 VAL N N 15 47.53 0.587 . . . . . . . 51224 1 27 . 2 2 40 40 HIS N N 15 48.64 3.54 . . . . . . . 51224 1 28 . 2 2 41 41 VAL N N 15 48.3 2.62 . . . . . . . 51224 1 29 . 2 2 42 42 VAL N N 15 48.57 1.33 . . . . . . . 51224 1 30 . 2 2 44 44 ASP N N 15 53.28 0.888 . . . . . . . 51224 1 31 . 2 2 45 45 GLN N N 15 48.11 0.775 . . . . . . . 51224 1 32 . 2 2 48 48 ALA N N 15 49.72 1.42 . . . . . . . 51224 1 33 . 2 2 49 49 PHE N N 15 88.96 3.06 . . . . . . . 51224 1 34 . 2 2 50 50 GLY N N 15 45.18 6.38 . . . . . . . 51224 1 35 . 2 2 51 51 GLY N N 15 47.84 0.559 . . . . . . . 51224 1 36 . 2 2 52 52 SER N N 15 56.35 1.13 . . . . . . . 51224 1 37 . 2 2 54 54 GLU N N 15 48.15 0.609 . . . . . . . 51224 1 38 . 2 2 56 56 CYS N N 15 46.29 1.38 . . . . . . . 51224 1 39 . 2 2 57 57 ALA N N 15 48.94 1.84 . . . . . . . 51224 1 40 . 2 2 58 58 LEU N N 15 53.38 9.64 . . . . . . . 51224 1 41 . 2 2 59 59 CYS N N 15 44.5 0.822 . . . . . . . 51224 1 42 . 2 2 62 62 HIS N N 15 56.61 9.19 . . . . . . . 51224 1 43 . 2 2 63 63 SER N N 15 39.86 2.41 . . . . . . . 51224 1 44 . 2 2 67 67 ILE N N 15 45.33 2.97 . . . . . . . 51224 1 45 . 2 2 68 68 GLY N N 15 55.58 1.24 . . . . . . . 51224 1 46 . 2 2 72 72 ASN N N 15 56.78 3.51 . . . . . . . 51224 1 47 . 2 2 73 73 ARG N N 15 44.85 4.71 . . . . . . . 51224 1 48 . 2 2 74 74 SER N N 15 52.35 0.91 . . . . . . . 51224 1 49 . 2 2 76 76 SER N N 15 57.15 2.18 . . . . . . . 51224 1 50 . 2 2 77 77 LYS N N 15 48.79 5.43 . . . . . . . 51224 1 51 . 2 2 78 78 LEU N N 15 50.93 0.952 . . . . . . . 51224 1 52 . 2 2 79 79 LEU N N 15 43.77 1.19 . . . . . . . 51224 1 53 . 2 2 80 80 CYS N N 15 46.61 1.49 . . . . . . . 51224 1 54 . 2 2 81 81 GLY N N 15 47.99 1.88 . . . . . . . 51224 1 55 . 2 2 82 82 LEU N N 15 46.75 0.834 . . . . . . . 51224 1 56 . 2 2 83 83 LEU N N 15 50.64 0.753 . . . . . . . 51224 1 57 . 2 2 84 84 ALA N N 15 46.53 1.22 . . . . . . . 51224 1 58 . 2 2 85 85 GLU N N 15 50.67 1.2 . . . . . . . 51224 1 59 . 2 2 86 86 ARG N N 15 51.65 1.72 . . . . . . . 51224 1 60 . 2 2 87 87 LEU N N 15 53.07 4.66 . . . . . . . 51224 1 61 . 2 2 88 88 ARG N N 15 51.89 1.13 . . . . . . . 51224 1 62 . 2 2 89 89 ILE N N 15 53.48 1.22 . . . . . . . 51224 1 63 . 2 2 90 90 SER N N 15 49.35 1.05 . . . . . . . 51224 1 64 . 2 2 92 92 ASP N N 15 46.2 2.16 . . . . . . . 51224 1 65 . 2 2 93 93 ARG N N 15 46.47 1.2 . . . . . . . 51224 1 66 . 2 2 95 95 TYR N N 15 95.02 2.18 . . . . . . . 51224 1 67 . 2 2 96 96 ILE N N 15 99.97 7.1 . . . . . . . 51224 1 68 . 2 2 97 97 ASN N N 15 82.93 8.85 . . . . . . . 51224 1 69 . 2 2 98 98 TYR N N 15 48.72 3.58 . . . . . . . 51224 1 70 . 2 2 99 99 TYR N N 15 46.21 1.44 . . . . . . . 51224 1 71 . 2 2 100 100 ASP N N 15 43.97 4.38 . . . . . . . 51224 1 72 . 2 2 101 101 MET N N 15 46.34 3.57 . . . . . . . 51224 1 73 . 2 2 102 102 ASN N N 15 30.76 3.45 . . . . . . . 51224 1 74 . 2 2 103 103 ALA N N 15 46.36 3.37 . . . . . . . 51224 1 75 . 2 2 104 104 ALA N N 15 41.24 2.19 . . . . . . . 51224 1 76 . 2 2 105 105 ASN N N 15 53.25 4.22 . . . . . . . 51224 1 77 . 2 2 106 106 VAL N N 15 49.65 1.18 . . . . . . . 51224 1 78 . 2 2 107 107 GLY N N 15 31.06 9.45 . . . . . . . 51224 1 79 . 2 2 108 108 TRP N N 15 41.44 5.65 . . . . . . . 51224 1 80 . 2 2 109 109 ASN N N 15 42.31 2.78 . . . . . . . 51224 1 81 . 2 2 110 110 ASN N N 15 42 2.01 . . . . . . . 51224 1 82 . 2 2 111 111 SER N N 15 56.78 0.677 . . . . . . . 51224 1 83 . 2 2 113 113 PHE N N 15 117 1.57 . . . . . . . 51224 1 84 . 2 2 114 114 ALA N N 15 74.39 1.14 . . . . . . . 51224 1 stop_ save_