data_5353 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5353 _Entry.Title ; 1H, 15N and 13C resonance assignments of yeast Saccharomyces cerevisiae calmodulin in the Ca2+-free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-04-25 _Entry.Accession_date 2002-04-25 _Entry.Last_release_date 2002-09-25 _Entry.Original_release_date 2002-09-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hiroaki Ishida . . . 5353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 142 5353 '15N chemical shifts' 141 5353 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 . . 2002-09-25 2002-04-25 original author . 5353 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5353 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C resonance assignments of yeast Saccharomyces cerevisiae calmodulin in the Ca2+-free state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 4 _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 323 _Citation.Page_last 324 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hiroaki Ishida . . . 5353 1 2 K-i Nakashima . . . 5353 1 3 Yasuhiro Kumaki . . . 5353 1 4 Mitsuo Nakata . . . 5353 1 5 Kunio Hikichi . . . 5353 1 6 Michio Yazawa . . . 5353 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Yeast Saccharomyces cerevisiae Calmodulin' 5353 1 EF-hand 5353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_yCaM _Assembly.Sf_category assembly _Assembly.Sf_framecode system_yCaM _Assembly.Entry_ID 5353 _Assembly.ID 1 _Assembly.Name 'yeast Saccharomyces cerevisiae calmodulin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5353 1 stop_ 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 'yCaM monomer' 1 $yCaM . . . native . . . . . 5353 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1LKJ . . . . . . 5353 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'yeast Saccharomyces cerevisiae calmodulin' system 5353 1 yCaM abbreviation 5353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yCaM _Entity.Sf_category entity _Entity.Sf_framecode yCaM _Entity.Entry_ID 5353 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'yeast calmodulin' _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 ; SSNLTEEQIAEFKEAFALFD KDNNGSISSSELATVMRSLG LSPSEAEVNDLMNEIDVDGN HQIEFSEFLALMSRQLKSND SEQELLEAFKVFDKNGDGLI SAAELKHVLTSIGEKLTDAE VDDMLREVSDGSGEINIQQF AALLSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17850 . yCaM_GS_CNA1 . . . . . 100.00 176 100.00 100.00 4.36e-96 . . . . 5353 1 2 no PDB 1LKJ . "Nmr Structure Of Apo Calmodulin From Yeast Saccharomyces Cerevisiae" . . . . . 100.00 146 100.00 100.00 5.92e-96 . . . . 5353 1 3 no PDB 2LHI . "Solution Structure Of Ca2+CNA1 PEPTIDE-Bound Ycam" . . . . . 100.00 176 100.00 100.00 4.36e-96 . . . . 5353 1 4 no DBJ GAA21657 . "K7_Cmd1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 147 99.32 99.32 3.01e-95 . . . . 5353 1 5 no EMBL CAA55612 . "calmodulin [Saccharomyces cerevisiae]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 6 no EMBL CAA85064 . "CMD1 [Saccharomyces cerevisiae]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 7 no EMBL CAG58389 . "unnamed protein product [Candida glabrata]" . . . . . 100.00 147 98.63 99.32 1.75e-94 . . . . 5353 1 8 no EMBL CAR27417 . "ZYRO0C16346p [Zygosaccharomyces rouxii]" . . . . . 100.00 148 97.26 99.32 1.98e-93 . . . . 5353 1 9 no EMBL CBK39182 . "Cmd1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 10 no GB AAA34504 . "calmodulin [Saccharomyces cerevisiae]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 11 no GB AAC68888 . "calmodulin [Saccharomyces cerevisiae]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 12 no GB AAS56510 . "YBR109C [Saccharomyces cerevisiae]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 13 no GB AHY74589 . "Cmd1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 14 no GB EDN64723 . "calmodulin [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 15 no REF NP_009667 . "calmodulin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 16 no REF XP_001642859 . "hypothetical protein Kpol_376p14 [Vanderwaltozyma polyspora DSM 70294]" . . . . . 100.00 147 97.26 99.32 2.43e-92 . . . . 5353 1 17 no REF XP_002496350 . "ZYRO0C16346p [Zygosaccharomyces rouxii]" . . . . . 100.00 148 97.26 99.32 1.98e-93 . . . . 5353 1 18 no REF XP_003678123 . "hypothetical protein NCAS_0I01100 [Naumovozyma castellii CBS 4309]" . . . . . 100.00 147 97.26 99.32 2.43e-93 . . . . 5353 1 19 no REF XP_003680602 . "hypothetical protein TDEL_0C05020 [Torulaspora delbrueckii]" . . . . . 100.00 147 97.95 99.32 5.57e-94 . . . . 5353 1 20 no SP P06787 . "RecName: Full=Calmodulin; Short=CaM [Saccharomyces cerevisiae S288c]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 21 no TPG DAA07228 . "TPA: calmodulin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 147 100.00 100.00 6.39e-96 . . . . 5353 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'yeast calmodulin' common 5353 1 yCaM abbreviation 5353 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 5353 1 2 . SER . 5353 1 3 . ASN . 5353 1 4 . LEU . 5353 1 5 . THR . 5353 1 6 . GLU . 5353 1 7 . GLU . 5353 1 8 . GLN . 5353 1 9 . ILE . 5353 1 10 . ALA . 5353 1 11 . GLU . 5353 1 12 . PHE . 5353 1 13 . LYS . 5353 1 14 . GLU . 5353 1 15 . ALA . 5353 1 16 . PHE . 5353 1 17 . ALA . 5353 1 18 . LEU . 5353 1 19 . PHE . 5353 1 20 . ASP . 5353 1 21 . LYS . 5353 1 22 . ASP . 5353 1 23 . ASN . 5353 1 24 . ASN . 5353 1 25 . GLY . 5353 1 26 . SER . 5353 1 27 . ILE . 5353 1 28 . SER . 5353 1 29 . SER . 5353 1 30 . SER . 5353 1 31 . GLU . 5353 1 32 . LEU . 5353 1 33 . ALA . 5353 1 34 . THR . 5353 1 35 . VAL . 5353 1 36 . MET . 5353 1 37 . ARG . 5353 1 38 . SER . 5353 1 39 . LEU . 5353 1 40 . GLY . 5353 1 41 . LEU . 5353 1 42 . SER . 5353 1 43 . PRO . 5353 1 44 . SER . 5353 1 45 . GLU . 5353 1 46 . ALA . 5353 1 47 . GLU . 5353 1 48 . VAL . 5353 1 49 . ASN . 5353 1 50 . ASP . 5353 1 51 . LEU . 5353 1 52 . MET . 5353 1 53 . ASN . 5353 1 54 . GLU . 5353 1 55 . ILE . 5353 1 56 . ASP . 5353 1 57 . VAL . 5353 1 58 . ASP . 5353 1 59 . GLY . 5353 1 60 . ASN . 5353 1 61 . HIS . 5353 1 62 . GLN . 5353 1 63 . ILE . 5353 1 64 . GLU . 5353 1 65 . PHE . 5353 1 66 . SER . 5353 1 67 . GLU . 5353 1 68 . PHE . 5353 1 69 . LEU . 5353 1 70 . ALA . 5353 1 71 . LEU . 5353 1 72 . MET . 5353 1 73 . SER . 5353 1 74 . ARG . 5353 1 75 . GLN . 5353 1 76 . LEU . 5353 1 77 . LYS . 5353 1 78 . SER . 5353 1 79 . ASN . 5353 1 80 . ASP . 5353 1 81 . SER . 5353 1 82 . GLU . 5353 1 83 . GLN . 5353 1 84 . GLU . 5353 1 85 . LEU . 5353 1 86 . LEU . 5353 1 87 . GLU . 5353 1 88 . ALA . 5353 1 89 . PHE . 5353 1 90 . LYS . 5353 1 91 . VAL . 5353 1 92 . PHE . 5353 1 93 . ASP . 5353 1 94 . LYS . 5353 1 95 . ASN . 5353 1 96 . GLY . 5353 1 97 . ASP . 5353 1 98 . GLY . 5353 1 99 . LEU . 5353 1 100 . ILE . 5353 1 101 . SER . 5353 1 102 . ALA . 5353 1 103 . ALA . 5353 1 104 . GLU . 5353 1 105 . LEU . 5353 1 106 . LYS . 5353 1 107 . HIS . 5353 1 108 . VAL . 5353 1 109 . LEU . 5353 1 110 . THR . 5353 1 111 . SER . 5353 1 112 . ILE . 5353 1 113 . GLY . 5353 1 114 . GLU . 5353 1 115 . LYS . 5353 1 116 . LEU . 5353 1 117 . THR . 5353 1 118 . ASP . 5353 1 119 . ALA . 5353 1 120 . GLU . 5353 1 121 . VAL . 5353 1 122 . ASP . 5353 1 123 . ASP . 5353 1 124 . MET . 5353 1 125 . LEU . 5353 1 126 . ARG . 5353 1 127 . GLU . 5353 1 128 . VAL . 5353 1 129 . SER . 5353 1 130 . ASP . 5353 1 131 . GLY . 5353 1 132 . SER . 5353 1 133 . GLY . 5353 1 134 . GLU . 5353 1 135 . ILE . 5353 1 136 . ASN . 5353 1 137 . ILE . 5353 1 138 . GLN . 5353 1 139 . GLN . 5353 1 140 . PHE . 5353 1 141 . ALA . 5353 1 142 . ALA . 5353 1 143 . LEU . 5353 1 144 . LEU . 5353 1 145 . SER . 5353 1 146 . LYS . 5353 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 . SER 1 1 5353 1 . SER 2 2 5353 1 . ASN 3 3 5353 1 . LEU 4 4 5353 1 . THR 5 5 5353 1 . GLU 6 6 5353 1 . GLU 7 7 5353 1 . GLN 8 8 5353 1 . ILE 9 9 5353 1 . ALA 10 10 5353 1 . GLU 11 11 5353 1 . PHE 12 12 5353 1 . LYS 13 13 5353 1 . GLU 14 14 5353 1 . ALA 15 15 5353 1 . PHE 16 16 5353 1 . ALA 17 17 5353 1 . LEU 18 18 5353 1 . PHE 19 19 5353 1 . ASP 20 20 5353 1 . LYS 21 21 5353 1 . ASP 22 22 5353 1 . ASN 23 23 5353 1 . ASN 24 24 5353 1 . GLY 25 25 5353 1 . SER 26 26 5353 1 . ILE 27 27 5353 1 . SER 28 28 5353 1 . SER 29 29 5353 1 . SER 30 30 5353 1 . GLU 31 31 5353 1 . LEU 32 32 5353 1 . ALA 33 33 5353 1 . THR 34 34 5353 1 . VAL 35 35 5353 1 . MET 36 36 5353 1 . ARG 37 37 5353 1 . SER 38 38 5353 1 . LEU 39 39 5353 1 . GLY 40 40 5353 1 . LEU 41 41 5353 1 . SER 42 42 5353 1 . PRO 43 43 5353 1 . SER 44 44 5353 1 . GLU 45 45 5353 1 . ALA 46 46 5353 1 . GLU 47 47 5353 1 . VAL 48 48 5353 1 . ASN 49 49 5353 1 . ASP 50 50 5353 1 . LEU 51 51 5353 1 . MET 52 52 5353 1 . ASN 53 53 5353 1 . GLU 54 54 5353 1 . ILE 55 55 5353 1 . ASP 56 56 5353 1 . VAL 57 57 5353 1 . ASP 58 58 5353 1 . GLY 59 59 5353 1 . ASN 60 60 5353 1 . HIS 61 61 5353 1 . GLN 62 62 5353 1 . ILE 63 63 5353 1 . GLU 64 64 5353 1 . PHE 65 65 5353 1 . SER 66 66 5353 1 . GLU 67 67 5353 1 . PHE 68 68 5353 1 . LEU 69 69 5353 1 . ALA 70 70 5353 1 . LEU 71 71 5353 1 . MET 72 72 5353 1 . SER 73 73 5353 1 . ARG 74 74 5353 1 . GLN 75 75 5353 1 . LEU 76 76 5353 1 . LYS 77 77 5353 1 . SER 78 78 5353 1 . ASN 79 79 5353 1 . ASP 80 80 5353 1 . SER 81 81 5353 1 . GLU 82 82 5353 1 . GLN 83 83 5353 1 . GLU 84 84 5353 1 . LEU 85 85 5353 1 . LEU 86 86 5353 1 . GLU 87 87 5353 1 . ALA 88 88 5353 1 . PHE 89 89 5353 1 . LYS 90 90 5353 1 . VAL 91 91 5353 1 . PHE 92 92 5353 1 . ASP 93 93 5353 1 . LYS 94 94 5353 1 . ASN 95 95 5353 1 . GLY 96 96 5353 1 . ASP 97 97 5353 1 . GLY 98 98 5353 1 . LEU 99 99 5353 1 . ILE 100 100 5353 1 . SER 101 101 5353 1 . ALA 102 102 5353 1 . ALA 103 103 5353 1 . GLU 104 104 5353 1 . LEU 105 105 5353 1 . LYS 106 106 5353 1 . HIS 107 107 5353 1 . VAL 108 108 5353 1 . LEU 109 109 5353 1 . THR 110 110 5353 1 . SER 111 111 5353 1 . ILE 112 112 5353 1 . GLY 113 113 5353 1 . GLU 114 114 5353 1 . LYS 115 115 5353 1 . LEU 116 116 5353 1 . THR 117 117 5353 1 . ASP 118 118 5353 1 . ALA 119 119 5353 1 . GLU 120 120 5353 1 . VAL 121 121 5353 1 . ASP 122 122 5353 1 . ASP 123 123 5353 1 . MET 124 124 5353 1 . LEU 125 125 5353 1 . ARG 126 126 5353 1 . GLU 127 127 5353 1 . VAL 128 128 5353 1 . SER 129 129 5353 1 . ASP 130 130 5353 1 . GLY 131 131 5353 1 . SER 132 132 5353 1 . GLY 133 133 5353 1 . GLU 134 134 5353 1 . ILE 135 135 5353 1 . ASN 136 136 5353 1 . ILE 137 137 5353 1 . GLN 138 138 5353 1 . GLN 139 139 5353 1 . PHE 140 140 5353 1 . ALA 141 141 5353 1 . ALA 142 142 5353 1 . LEU 143 143 5353 1 . LEU 144 144 5353 1 . SER 145 145 5353 1 . LYS 146 146 5353 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5353 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $yCaM . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5353 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5353 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $yCaM . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5353 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'yeast calmodulin' '[U-13C; U-15N]' . . 1 $yCaM . . 1.0 . . mM . . . . 5353 1 2 'yeast calmodulin' '[U-13C; U-15N]' . . 1 $yCaM . . 1.4 . . mM . . . . 5353 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5353 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'yeast calmodulin' [U-15N] . . 1 $yCaM . . 1.0 . . mM . . . . 5353 2 2 'yeast calmodulin' [U-15N] . . 1 $yCaM . . 1.4 . . mM . . . . 5353 2 stop_ save_ ####################### # Sample conditions # ####################### save_experimental_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode experimental_conditions _Sample_condition_list.Entry_ID 5353 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 5353 1 temperature 303 0.1 K 5353 1 'ionic strength' 0.05 . M 5353 1 pressure 1 . atm 5353 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5353 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 5353 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5353 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model JNM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5353 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Varian UNITY . 500 . . . 5353 1 2 NMR_spectrometer2 JEOL JNM . 600 . . . 5353 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5353 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 3 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 6 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 8 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 9 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 10 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5353 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5353 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5353 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5353 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5353 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5353 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5353 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASN N N 15 120.14 . . . . . . . . . . . 5353 1 2 . 1 1 3 3 ASN H H 1 8.53 . . . . . . . . . . . 5353 1 3 . 1 1 4 4 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 4 . 1 1 4 4 LEU H H 1 8.10 . . . . . . . . . . . 5353 1 5 . 1 1 5 5 THR N N 15 113.50 . . . . . . . . . . . 5353 1 6 . 1 1 5 5 THR H H 1 8.81 . . . . . . . . . . . 5353 1 7 . 1 1 6 6 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 8 . 1 1 6 6 GLU H H 1 9.01 . . . . . . . . . . . 5353 1 9 . 1 1 7 7 GLU N N 15 119.54 . . . . . . . . . . . 5353 1 10 . 1 1 7 7 GLU H H 1 8.72 . . . . . . . . . . . 5353 1 11 . 1 1 8 8 GLN N N 15 119.98 . . . . . . . . . . . 5353 1 12 . 1 1 8 8 GLN H H 1 7.74 . . . . . . . . . . . 5353 1 13 . 1 1 9 9 ILE N N 15 118.25 . . . . . . . . . . . 5353 1 14 . 1 1 9 9 ILE H H 1 8.21 . . . . . . . . . . . 5353 1 15 . 1 1 10 10 ALA N N 15 120.41 . . . . . . . . . . . 5353 1 16 . 1 1 10 10 ALA H H 1 7.91 . . . . . . . . . . . 5353 1 17 . 1 1 11 11 GLU N N 15 119.11 . . . . . . . . . . . 5353 1 18 . 1 1 11 11 GLU H H 1 7.80 . . . . . . . . . . . 5353 1 19 . 1 1 12 12 PHE N N 15 119.98 . . . . . . . . . . . 5353 1 20 . 1 1 12 12 PHE H H 1 8.84 . . . . . . . . . . . 5353 1 21 . 1 1 13 13 LYS N N 15 120.84 . . . . . . . . . . . 5353 1 22 . 1 1 13 13 LYS H H 1 9.12 . . . . . . . . . . . 5353 1 23 . 1 1 14 14 GLU N N 15 118.25 . . . . . . . . . . . 5353 1 24 . 1 1 14 14 GLU H H 1 7.88 . . . . . . . . . . . 5353 1 25 . 1 1 15 15 ALA N N 15 120.84 . . . . . . . . . . . 5353 1 26 . 1 1 15 15 ALA H H 1 7.74 . . . . . . . . . . . 5353 1 27 . 1 1 16 16 PHE N N 15 117.82 . . . . . . . . . . . 5353 1 28 . 1 1 16 16 PHE H H 1 8.46 . . . . . . . . . . . 5353 1 29 . 1 1 17 17 ALA N N 15 118.05 . . . . . . . . . . . 5353 1 30 . 1 1 17 17 ALA H H 1 8.27 . . . . . . . . . . . 5353 1 31 . 1 1 18 18 LEU N N 15 116.52 . . . . . . . . . . . 5353 1 32 . 1 1 18 18 LEU H H 1 7.35 . . . . . . . . . . . 5353 1 33 . 1 1 19 19 PHE N N 15 115.23 . . . . . . . . . . . 5353 1 34 . 1 1 19 19 PHE H H 1 7.48 . . . . . . . . . . . 5353 1 35 . 1 1 20 20 ASP N N 15 123.00 . . . . . . . . . . . 5353 1 36 . 1 1 20 20 ASP H H 1 7.60 . . . . . . . . . . . 5353 1 37 . 1 1 21 21 LYS N N 15 122.57 . . . . . . . . . . . 5353 1 38 . 1 1 21 21 LYS H H 1 7.91 . . . . . . . . . . . 5353 1 39 . 1 1 22 22 ASP N N 15 116.95 . . . . . . . . . . . 5353 1 40 . 1 1 22 22 ASP H H 1 8.64 . . . . . . . . . . . 5353 1 41 . 1 1 23 23 ASN N N 15 117.84 . . . . . . . . . . . 5353 1 42 . 1 1 23 23 ASN H H 1 7.98 . . . . . . . . . . . 5353 1 43 . 1 1 24 24 ASN N N 15 118.16 . . . . . . . . . . . 5353 1 44 . 1 1 24 24 ASN H H 1 9.87 . . . . . . . . . . . 5353 1 45 . 1 1 25 25 GLY H H 1 10.72 . . . . . . . . . . . 5353 1 46 . 1 1 25 25 GLY N N 15 112.52 . . . . . . . . . . . 5353 1 47 . 1 1 26 26 SER N N 15 113.50 . . . . . . . . . . . 5353 1 48 . 1 1 26 26 SER H H 1 7.70 . . . . . . . . . . . 5353 1 49 . 1 1 27 27 ILE N N 15 111.42 . . . . . . . . . . . 5353 1 50 . 1 1 27 27 ILE H H 1 8.16 . . . . . . . . . . . 5353 1 51 . 1 1 28 28 SER N N 15 116.52 . . . . . . . . . . . 5353 1 52 . 1 1 28 28 SER H H 1 8.71 . . . . . . . . . . . 5353 1 53 . 1 1 29 29 SER N N 15 121.27 . . . . . . . . . . . 5353 1 54 . 1 1 29 29 SER H H 1 8.99 . . . . . . . . . . . 5353 1 55 . 1 1 30 30 SER N N 15 115.66 . . . . . . . . . . . 5353 1 56 . 1 1 30 30 SER H H 1 8.10 . . . . . . . . . . . 5353 1 57 . 1 1 31 31 GLU N N 15 120.41 . . . . . . . . . . . 5353 1 58 . 1 1 31 31 GLU H H 1 7.77 . . . . . . . . . . . 5353 1 59 . 1 1 32 32 LEU N N 15 120.72 . . . . . . . . . . . 5353 1 60 . 1 1 32 32 LEU H H 1 7.59 . . . . . . . . . . . 5353 1 61 . 1 1 33 33 ALA N N 15 119.54 . . . . . . . . . . . 5353 1 62 . 1 1 33 33 ALA H H 1 8.77 . . . . . . . . . . . 5353 1 63 . 1 1 34 34 THR N N 15 114.79 . . . . . . . . . . . 5353 1 64 . 1 1 34 34 THR H H 1 7.54 . . . . . . . . . . . 5353 1 65 . 1 1 35 35 VAL N N 15 123.00 . . . . . . . . . . . 5353 1 66 . 1 1 35 35 VAL H H 1 8.04 . . . . . . . . . . . 5353 1 67 . 1 1 36 36 MET N N 15 118.68 . . . . . . . . . . . 5353 1 68 . 1 1 36 36 MET H H 1 8.47 . . . . . . . . . . . 5353 1 69 . 1 1 37 37 ARG N N 15 118.68 . . . . . . . . . . . 5353 1 70 . 1 1 37 37 ARG H H 1 8.36 . . . . . . . . . . . 5353 1 71 . 1 1 38 38 SER N N 15 118.25 . . . . . . . . . . . 5353 1 72 . 1 1 38 38 SER H H 1 8.17 . . . . . . . . . . . 5353 1 73 . 1 1 39 39 LEU N N 15 120.41 . . . . . . . . . . . 5353 1 74 . 1 1 39 39 LEU H H 1 7.39 . . . . . . . . . . . 5353 1 75 . 1 1 40 40 GLY N N 15 106.16 . . . . . . . . . . . 5353 1 76 . 1 1 40 40 GLY H H 1 7.91 . . . . . . . . . . . 5353 1 77 . 1 1 41 41 LEU N N 15 119.98 . . . . . . . . . . . 5353 1 78 . 1 1 41 41 LEU H H 1 7.70 . . . . . . . . . . . 5353 1 79 . 1 1 42 42 SER N N 15 113.50 . . . . . . . . . . . 5353 1 80 . 1 1 42 42 SER H H 1 8.66 . . . . . . . . . . . 5353 1 81 . 1 1 44 44 SER N N 15 118.25 . . . . . . . . . . . 5353 1 82 . 1 1 44 44 SER H H 1 8.92 . . . . . . . . . . . 5353 1 83 . 1 1 45 45 GLU N N 15 121.27 . . . . . . . . . . . 5353 1 84 . 1 1 45 45 GLU H H 1 8.83 . . . . . . . . . . . 5353 1 85 . 1 1 46 46 ALA N N 15 120.84 . . . . . . . . . . . 5353 1 86 . 1 1 46 46 ALA H H 1 8.29 . . . . . . . . . . . 5353 1 87 . 1 1 47 47 GLU N N 15 118.25 . . . . . . . . . . . 5353 1 88 . 1 1 47 47 GLU H H 1 7.78 . . . . . . . . . . . 5353 1 89 . 1 1 48 48 VAL N N 15 119.54 . . . . . . . . . . . 5353 1 90 . 1 1 48 48 VAL H H 1 8.21 . . . . . . . . . . . 5353 1 91 . 1 1 49 49 ASN N N 15 118.68 . . . . . . . . . . . 5353 1 92 . 1 1 49 49 ASN H H 1 8.21 . . . . . . . . . . . 5353 1 93 . 1 1 50 50 ASP N N 15 119.54 . . . . . . . . . . . 5353 1 94 . 1 1 50 50 ASP H H 1 8.10 . . . . . . . . . . . 5353 1 95 . 1 1 51 51 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 96 . 1 1 51 51 LEU H H 1 7.95 . . . . . . . . . . . 5353 1 97 . 1 1 52 52 MET N N 15 116.09 . . . . . . . . . . . 5353 1 98 . 1 1 52 52 MET H H 1 8.33 . . . . . . . . . . . 5353 1 99 . 1 1 53 53 ASN N N 15 116.09 . . . . . . . . . . . 5353 1 100 . 1 1 53 53 ASN H H 1 7.94 . . . . . . . . . . . 5353 1 101 . 1 1 54 54 GLU N N 15 118.25 . . . . . . . . . . . 5353 1 102 . 1 1 54 54 GLU H H 1 7.84 . . . . . . . . . . . 5353 1 103 . 1 1 55 55 ILE N N 15 115.23 . . . . . . . . . . . 5353 1 104 . 1 1 55 55 ILE H H 1 7.72 . . . . . . . . . . . 5353 1 105 . 1 1 56 56 ASP N N 15 121.70 . . . . . . . . . . . 5353 1 106 . 1 1 56 56 ASP H H 1 8.23 . . . . . . . . . . . 5353 1 107 . 1 1 57 57 VAL N N 15 119.98 . . . . . . . . . . . 5353 1 108 . 1 1 57 57 VAL H H 1 7.99 . . . . . . . . . . . 5353 1 109 . 1 1 58 58 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 110 . 1 1 58 58 ASP H H 1 8.36 . . . . . . . . . . . 5353 1 111 . 1 1 59 59 GLY N N 15 107.88 . . . . . . . . . . . 5353 1 112 . 1 1 59 59 GLY H H 1 8.08 . . . . . . . . . . . 5353 1 113 . 1 1 60 60 ASN N N 15 117.82 . . . . . . . . . . . 5353 1 114 . 1 1 60 60 ASN H H 1 8.35 . . . . . . . . . . . 5353 1 115 . 1 1 61 61 HIS N N 15 118.25 . . . . . . . . . . . 5353 1 116 . 1 1 61 61 HIS H H 1 8.82 . . . . . . . . . . . 5353 1 117 . 1 1 62 62 GLN N N 15 120.41 . . . . . . . . . . . 5353 1 118 . 1 1 62 62 GLN H H 1 8.28 . . . . . . . . . . . 5353 1 119 . 1 1 63 63 ILE N N 15 121.70 . . . . . . . . . . . 5353 1 120 . 1 1 63 63 ILE H H 1 9.24 . . . . . . . . . . . 5353 1 121 . 1 1 64 64 GLU N N 15 125.59 . . . . . . . . . . . 5353 1 122 . 1 1 64 64 GLU H H 1 8.95 . . . . . . . . . . . 5353 1 123 . 1 1 65 65 PHE N N 15 122.57 . . . . . . . . . . . 5353 1 124 . 1 1 65 65 PHE H H 1 8.74 . . . . . . . . . . . 5353 1 125 . 1 1 66 66 SER N N 15 112.63 . . . . . . . . . . . 5353 1 126 . 1 1 66 66 SER H H 1 9.04 . . . . . . . . . . . 5353 1 127 . 1 1 67 67 GLU N N 15 123.00 . . . . . . . . . . . 5353 1 128 . 1 1 67 67 GLU H H 1 7.12 . . . . . . . . . . . 5353 1 129 . 1 1 68 68 PHE N N 15 121.70 . . . . . . . . . . . 5353 1 130 . 1 1 68 68 PHE H H 1 8.27 . . . . . . . . . . . 5353 1 131 . 1 1 69 69 LEU N N 15 117.82 . . . . . . . . . . . 5353 1 132 . 1 1 69 69 LEU H H 1 8.33 . . . . . . . . . . . 5353 1 133 . 1 1 70 70 ALA N N 15 121.70 . . . . . . . . . . . 5353 1 134 . 1 1 70 70 ALA H H 1 7.35 . . . . . . . . . . . 5353 1 135 . 1 1 71 71 LEU N N 15 119.54 . . . . . . . . . . . 5353 1 136 . 1 1 71 71 LEU H H 1 7.95 . . . . . . . . . . . 5353 1 137 . 1 1 72 72 MET N N 15 117.84 . . . . . . . . . . . 5353 1 138 . 1 1 72 72 MET H H 1 8.12 . . . . . . . . . . . 5353 1 139 . 1 1 73 73 SER N N 15 113.50 . . . . . . . . . . . 5353 1 140 . 1 1 73 73 SER H H 1 8.19 . . . . . . . . . . . 5353 1 141 . 1 1 74 74 ARG N N 15 119.11 . . . . . . . . . . . 5353 1 142 . 1 1 74 74 ARG H H 1 7.43 . . . . . . . . . . . 5353 1 143 . 1 1 75 75 GLN N N 15 117.38 . . . . . . . . . . . 5353 1 144 . 1 1 75 75 GLN H H 1 7.90 . . . . . . . . . . . 5353 1 145 . 1 1 76 76 LEU N N 15 119.11 . . . . . . . . . . . 5353 1 146 . 1 1 76 76 LEU H H 1 7.80 . . . . . . . . . . . 5353 1 147 . 1 1 77 77 LYS N N 15 119.98 . . . . . . . . . . . 5353 1 148 . 1 1 77 77 LYS H H 1 7.86 . . . . . . . . . . . 5353 1 149 . 1 1 78 78 SER N N 15 116.09 . . . . . . . . . . . 5353 1 150 . 1 1 78 78 SER H H 1 8.29 . . . . . . . . . . . 5353 1 151 . 1 1 79 79 ASN N N 15 120.84 . . . . . . . . . . . 5353 1 152 . 1 1 79 79 ASN H H 1 8.48 . . . . . . . . . . . 5353 1 153 . 1 1 80 80 ASP N N 15 120.84 . . . . . . . . . . . 5353 1 154 . 1 1 80 80 ASP H H 1 8.32 . . . . . . . . . . . 5353 1 155 . 1 1 81 81 SER N N 15 116.09 . . . . . . . . . . . 5353 1 156 . 1 1 81 81 SER H H 1 8.37 . . . . . . . . . . . 5353 1 157 . 1 1 82 82 GLU N N 15 122.13 . . . . . . . . . . . 5353 1 158 . 1 1 82 82 GLU H H 1 8.43 . . . . . . . . . . . 5353 1 159 . 1 1 83 83 GLN N N 15 118.25 . . . . . . . . . . . 5353 1 160 . 1 1 83 83 GLN H H 1 8.17 . . . . . . . . . . . 5353 1 161 . 1 1 84 84 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 162 . 1 1 84 84 GLU H H 1 8.27 . . . . . . . . . . . 5353 1 163 . 1 1 85 85 LEU N N 15 121.27 . . . . . . . . . . . 5353 1 164 . 1 1 85 85 LEU H H 1 8.08 . . . . . . . . . . . 5353 1 165 . 1 1 86 86 LEU N N 15 118.68 . . . . . . . . . . . 5353 1 166 . 1 1 86 86 LEU H H 1 8.05 . . . . . . . . . . . 5353 1 167 . 1 1 87 87 GLU N N 15 117.82 . . . . . . . . . . . 5353 1 168 . 1 1 87 87 GLU H H 1 8.10 . . . . . . . . . . . 5353 1 169 . 1 1 88 88 ALA N N 15 121.70 . . . . . . . . . . . 5353 1 170 . 1 1 88 88 ALA H H 1 7.89 . . . . . . . . . . . 5353 1 171 . 1 1 89 89 PHE N N 15 115.23 . . . . . . . . . . . 5353 1 172 . 1 1 89 89 PHE H H 1 8.10 . . . . . . . . . . . 5353 1 173 . 1 1 90 90 LYS N N 15 118.68 . . . . . . . . . . . 5353 1 174 . 1 1 90 90 LYS H H 1 7.97 . . . . . . . . . . . 5353 1 175 . 1 1 91 91 VAL N N 15 116.52 . . . . . . . . . . . 5353 1 176 . 1 1 91 91 VAL H H 1 7.40 . . . . . . . . . . . 5353 1 177 . 1 1 93 93 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 178 . 1 1 93 93 ASP H H 1 7.86 . . . . . . . . . . . 5353 1 179 . 1 1 94 94 LYS N N 15 122.57 . . . . . . . . . . . 5353 1 180 . 1 1 94 94 LYS H H 1 8.21 . . . . . . . . . . . 5353 1 181 . 1 1 95 95 ASN N N 15 116.09 . . . . . . . . . . . 5353 1 182 . 1 1 95 95 ASN H H 1 8.64 . . . . . . . . . . . 5353 1 183 . 1 1 96 96 GLY N N 15 109.18 . . . . . . . . . . . 5353 1 184 . 1 1 96 96 GLY H H 1 8.14 . . . . . . . . . . . 5353 1 185 . 1 1 97 97 ASP N N 15 119.54 . . . . . . . . . . . 5353 1 186 . 1 1 97 97 ASP H H 1 8.32 . . . . . . . . . . . 5353 1 187 . 1 1 98 98 GLY H H 1 9.87 . . . . . . . . . . . 5353 1 188 . 1 1 99 99 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 189 . 1 1 99 99 LEU H H 1 7.84 . . . . . . . . . . . 5353 1 190 . 1 1 100 100 ILE N N 15 122.80 . . . . . . . . . . . 5353 1 191 . 1 1 100 100 ILE H H 1 8.53 . . . . . . . . . . . 5353 1 192 . 1 1 101 101 SER N N 15 119.54 . . . . . . . . . . . 5353 1 193 . 1 1 101 101 SER H H 1 8.53 . . . . . . . . . . . 5353 1 194 . 1 1 102 102 ALA N N 15 125.16 . . . . . . . . . . . 5353 1 195 . 1 1 102 102 ALA H H 1 8.72 . . . . . . . . . . . 5353 1 196 . 1 1 103 103 ALA N N 15 118.25 . . . . . . . . . . . 5353 1 197 . 1 1 103 103 ALA H H 1 8.27 . . . . . . . . . . . 5353 1 198 . 1 1 104 104 GLU N N 15 118.68 . . . . . . . . . . . 5353 1 199 . 1 1 104 104 GLU H H 1 7.74 . . . . . . . . . . . 5353 1 200 . 1 1 105 105 LEU N N 15 120.84 . . . . . . . . . . . 5353 1 201 . 1 1 105 105 LEU H H 1 8.14 . . . . . . . . . . . 5353 1 202 . 1 1 106 106 LYS N N 15 117.38 . . . . . . . . . . . 5353 1 203 . 1 1 106 106 LYS H H 1 8.19 . . . . . . . . . . . 5353 1 204 . 1 1 107 107 HIS N N 15 117.82 . . . . . . . . . . . 5353 1 205 . 1 1 107 107 HIS H H 1 7.72 . . . . . . . . . . . 5353 1 206 . 1 1 108 108 VAL N N 15 120.41 . . . . . . . . . . . 5353 1 207 . 1 1 108 108 VAL H H 1 8.13 . . . . . . . . . . . 5353 1 208 . 1 1 109 109 LEU N N 15 118.68 . . . . . . . . . . . 5353 1 209 . 1 1 109 109 LEU H H 1 8.34 . . . . . . . . . . . 5353 1 210 . 1 1 110 110 THR N N 15 111.77 . . . . . . . . . . . 5353 1 211 . 1 1 110 110 THR H H 1 8.01 . . . . . . . . . . . 5353 1 212 . 1 1 111 111 SER N N 15 117.38 . . . . . . . . . . . 5353 1 213 . 1 1 111 111 SER H H 1 7.95 . . . . . . . . . . . 5353 1 214 . 1 1 112 112 ILE N N 15 116.95 . . . . . . . . . . . 5353 1 215 . 1 1 112 112 ILE H H 1 7.70 . . . . . . . . . . . 5353 1 216 . 1 1 113 113 GLY N N 15 109.18 . . . . . . . . . . . 5353 1 217 . 1 1 113 113 GLY H H 1 8.00 . . . . . . . . . . . 5353 1 218 . 1 1 114 114 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 219 . 1 1 114 114 GLU H H 1 8.07 . . . . . . . . . . . 5353 1 220 . 1 1 115 115 LYS N N 15 121.27 . . . . . . . . . . . 5353 1 221 . 1 1 115 115 LYS H H 1 8.43 . . . . . . . . . . . 5353 1 222 . 1 1 116 116 LEU N N 15 122.13 . . . . . . . . . . . 5353 1 223 . 1 1 116 116 LEU H H 1 7.88 . . . . . . . . . . . 5353 1 224 . 1 1 117 117 THR N N 15 113.50 . . . . . . . . . . . 5353 1 225 . 1 1 117 117 THR H H 1 8.82 . . . . . . . . . . . 5353 1 226 . 1 1 118 118 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 227 . 1 1 118 118 ASP H H 1 8.62 . . . . . . . . . . . 5353 1 228 . 1 1 119 119 ALA N N 15 120.41 . . . . . . . . . . . 5353 1 229 . 1 1 119 119 ALA H H 1 8.19 . . . . . . . . . . . 5353 1 230 . 1 1 120 120 GLU N N 15 118.75 . . . . . . . . . . . 5353 1 231 . 1 1 120 120 GLU H H 1 7.80 . . . . . . . . . . . 5353 1 232 . 1 1 121 121 VAL N N 15 120.41 . . . . . . . . . . . 5353 1 233 . 1 1 121 121 VAL H H 1 8.18 . . . . . . . . . . . 5353 1 234 . 1 1 122 122 ASP N N 15 120.41 . . . . . . . . . . . 5353 1 235 . 1 1 122 122 ASP H H 1 8.31 . . . . . . . . . . . 5353 1 236 . 1 1 123 123 ASP N N 15 119.11 . . . . . . . . . . . 5353 1 237 . 1 1 123 123 ASP H H 1 8.04 . . . . . . . . . . . 5353 1 238 . 1 1 124 124 MET N N 15 119.98 . . . . . . . . . . . 5353 1 239 . 1 1 124 124 MET H H 1 7.98 . . . . . . . . . . . 5353 1 240 . 1 1 125 125 LEU N N 15 117.82 . . . . . . . . . . . 5353 1 241 . 1 1 125 125 LEU H H 1 8.45 . . . . . . . . . . . 5353 1 242 . 1 1 126 126 ARG N N 15 119.11 . . . . . . . . . . . 5353 1 243 . 1 1 126 126 ARG H H 1 7.90 . . . . . . . . . . . 5353 1 244 . 1 1 127 127 GLU N N 15 117.38 . . . . . . . . . . . 5353 1 245 . 1 1 127 127 GLU H H 1 7.84 . . . . . . . . . . . 5353 1 246 . 1 1 128 128 VAL N N 15 113.26 . . . . . . . . . . . 5353 1 247 . 1 1 128 128 VAL H H 1 7.74 . . . . . . . . . . . 5353 1 248 . 1 1 129 129 SER N N 15 116.09 . . . . . . . . . . . 5353 1 249 . 1 1 129 129 SER H H 1 7.89 . . . . . . . . . . . 5353 1 250 . 1 1 130 130 ASP N N 15 122.57 . . . . . . . . . . . 5353 1 251 . 1 1 130 130 ASP H H 1 8.48 . . . . . . . . . . . 5353 1 252 . 1 1 131 131 GLY N N 15 107.88 . . . . . . . . . . . 5353 1 253 . 1 1 131 131 GLY H H 1 8.38 . . . . . . . . . . . 5353 1 254 . 1 1 132 132 SER N N 15 116.09 . . . . . . . . . . . 5353 1 255 . 1 1 132 132 SER H H 1 8.44 . . . . . . . . . . . 5353 1 256 . 1 1 133 133 GLY N N 15 110.04 . . . . . . . . . . . 5353 1 257 . 1 1 133 133 GLY H H 1 8.46 . . . . . . . . . . . 5353 1 258 . 1 1 134 134 GLU N N 15 119.98 . . . . . . . . . . . 5353 1 259 . 1 1 134 134 GLU H H 1 8.13 . . . . . . . . . . . 5353 1 260 . 1 1 135 135 ILE N N 15 121.49 . . . . . . . . . . . 5353 1 261 . 1 1 135 135 ILE H H 1 8.99 . . . . . . . . . . . 5353 1 262 . 1 1 136 136 ASN N N 15 123.43 . . . . . . . . . . . 5353 1 263 . 1 1 136 136 ASN H H 1 8.58 . . . . . . . . . . . 5353 1 264 . 1 1 137 137 ILE N N 15 124.40 . . . . . . . . . . . 5353 1 265 . 1 1 137 137 ILE H H 1 8.50 . . . . . . . . . . . 5353 1 266 . 1 1 138 138 GLN N N 15 120.84 . . . . . . . . . . . 5353 1 267 . 1 1 138 138 GLN H H 1 8.33 . . . . . . . . . . . 5353 1 268 . 1 1 139 139 GLN N N 15 119.54 . . . . . . . . . . . 5353 1 269 . 1 1 139 139 GLN H H 1 8.22 . . . . . . . . . . . 5353 1 270 . 1 1 140 140 PHE N N 15 119.54 . . . . . . . . . . . 5353 1 271 . 1 1 140 140 PHE H H 1 8.26 . . . . . . . . . . . 5353 1 272 . 1 1 141 141 ALA N N 15 119.98 . . . . . . . . . . . 5353 1 273 . 1 1 141 141 ALA H H 1 8.51 . . . . . . . . . . . 5353 1 274 . 1 1 142 142 ALA N N 15 118.68 . . . . . . . . . . . 5353 1 275 . 1 1 142 142 ALA H H 1 7.66 . . . . . . . . . . . 5353 1 276 . 1 1 143 143 LEU N N 15 118.25 . . . . . . . . . . . 5353 1 277 . 1 1 143 143 LEU H H 1 7.69 . . . . . . . . . . . 5353 1 278 . 1 1 144 144 LEU N N 15 117.38 . . . . . . . . . . . 5353 1 279 . 1 1 144 144 LEU H H 1 7.52 . . . . . . . . . . . 5353 1 280 . 1 1 145 145 SER N N 15 113.93 . . . . . . . . . . . 5353 1 281 . 1 1 145 145 SER H H 1 7.61 . . . . . . . . . . . 5353 1 282 . 1 1 146 146 LYS N N 15 127.32 . . . . . . . . . . . 5353 1 283 . 1 1 146 146 LYS H H 1 7.69 . . . . . . . . . . . 5353 1 stop_ save_