data_19868 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19868 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for p15(PAF) in complex with PCNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-19 _Entry.Accession_date 2014-03-19 _Entry.Last_release_date 2014-03-19 _Entry.Original_release_date 2014-03-19 _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 'Francisco J' Blanco . . . . 19868 2 Alain 'Ibanez de Opakua' . . . . 19868 3 Alfredo 'De Biasio' . . . . 19868 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19868 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 19868 '15N chemical shifts' 78 19868 '1H chemical shifts' 78 19868 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 . . 2024-09-18 . original BMRB . 19868 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19868 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 25762514 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of p15(PAF)-PCNA complex and implications for clamp sliding during DNA replication and repair ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 6439 _Citation.Page_last 6439 _Citation.Year 2015 _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 Alfredo 'De Biasio' . . . . 19868 1 2 Alain 'Ibanez de Opakua' . . . . 19868 1 3 'Gulnehar B' Mortuza . . . . 19868 1 4 Rafael Molina . . . . 19868 1 5 'Tiago N' Cordeiro . . . . 19868 1 6 Francisco Castillo . . . . 19868 1 7 Maider Villate . . . . 19868 1 8 Nekane Merino . . . . 19868 1 9 Sandra Delgado . . . . 19868 1 10 David Gil . . . . 19868 1 11 Tammo Diercks . . . . 19868 1 12 Irene Luque . . . . 19868 1 13 Pau Bernado . . . . 19868 1 14 Guillermo Montoya . . . . 19868 1 15 'Francisco J' Blanco . . . . 19868 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19868 _Assembly.ID 1 _Assembly.Name 'p15(PAF) in complex with PCNA' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p15(PAF) 1 $p15(PAF) A . yes 'intrinsically disordered' no no . . . 19868 1 2 'PCNA trimer, 1' 2 $hPCNA_trimer B . no native no no . . . 19868 1 3 'PCNA trimer, 2' 2 $hPCNA_trimer C . no native no no . . . 19868 1 4 'PCNA trimer, 3' 2 $hPCNA_trimer D . no native no no . . . 19868 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p15(PAF) _Entity.Sf_category entity _Entity.Sf_framecode p15(PAF) _Entity.Entry_ID 19868 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p15(PAF) _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 ; MVRTKADSVPGTYRKVVAAR APRKVLGSSTSATNSTSVSS RKAENKYAGGNPVCVRPTPK WQKGIGEFFRLSPKDSEKEN QIPEEAGSSGLGKAKRKACP LQPDHTNDEKE ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . MET . 19868 1 2 . VAL . 19868 1 3 . ARG . 19868 1 4 . THR . 19868 1 5 . LYS . 19868 1 6 . ALA . 19868 1 7 . ASP . 19868 1 8 . SER . 19868 1 9 . VAL . 19868 1 10 . PRO . 19868 1 11 . GLY . 19868 1 12 . THR . 19868 1 13 . TYR . 19868 1 14 . ARG . 19868 1 15 . LYS . 19868 1 16 . VAL . 19868 1 17 . VAL . 19868 1 18 . ALA . 19868 1 19 . ALA . 19868 1 20 . ARG . 19868 1 21 . ALA . 19868 1 22 . PRO . 19868 1 23 . ARG . 19868 1 24 . LYS . 19868 1 25 . VAL . 19868 1 26 . LEU . 19868 1 27 . GLY . 19868 1 28 . SER . 19868 1 29 . SER . 19868 1 30 . THR . 19868 1 31 . SER . 19868 1 32 . ALA . 19868 1 33 . THR . 19868 1 34 . ASN . 19868 1 35 . SER . 19868 1 36 . THR . 19868 1 37 . SER . 19868 1 38 . VAL . 19868 1 39 . SER . 19868 1 40 . SER . 19868 1 41 . ARG . 19868 1 42 . LYS . 19868 1 43 . ALA . 19868 1 44 . GLU . 19868 1 45 . ASN . 19868 1 46 . LYS . 19868 1 47 . TYR . 19868 1 48 . ALA . 19868 1 49 . GLY . 19868 1 50 . GLY . 19868 1 51 . ASN . 19868 1 52 . PRO . 19868 1 53 . VAL . 19868 1 54 . CYS . 19868 1 55 . VAL . 19868 1 56 . ARG . 19868 1 57 . PRO . 19868 1 58 . THR . 19868 1 59 . PRO . 19868 1 60 . LYS . 19868 1 61 . TRP . 19868 1 62 . GLN . 19868 1 63 . LYS . 19868 1 64 . GLY . 19868 1 65 . ILE . 19868 1 66 . GLY . 19868 1 67 . GLU . 19868 1 68 . PHE . 19868 1 69 . PHE . 19868 1 70 . ARG . 19868 1 71 . LEU . 19868 1 72 . SER . 19868 1 73 . PRO . 19868 1 74 . LYS . 19868 1 75 . ASP . 19868 1 76 . SER . 19868 1 77 . GLU . 19868 1 78 . LYS . 19868 1 79 . GLU . 19868 1 80 . ASN . 19868 1 81 . GLN . 19868 1 82 . ILE . 19868 1 83 . PRO . 19868 1 84 . GLU . 19868 1 85 . GLU . 19868 1 86 . ALA . 19868 1 87 . GLY . 19868 1 88 . SER . 19868 1 89 . SER . 19868 1 90 . GLY . 19868 1 91 . LEU . 19868 1 92 . GLY . 19868 1 93 . LYS . 19868 1 94 . ALA . 19868 1 95 . LYS . 19868 1 96 . ARG . 19868 1 97 . LYS . 19868 1 98 . ALA . 19868 1 99 . CYS . 19868 1 100 . PRO . 19868 1 101 . LEU . 19868 1 102 . GLN . 19868 1 103 . PRO . 19868 1 104 . ASP . 19868 1 105 . HIS . 19868 1 106 . THR . 19868 1 107 . ASN . 19868 1 108 . ASP . 19868 1 109 . GLU . 19868 1 110 . LYS . 19868 1 111 . GLU . 19868 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19868 1 . VAL 2 2 19868 1 . ARG 3 3 19868 1 . THR 4 4 19868 1 . LYS 5 5 19868 1 . ALA 6 6 19868 1 . ASP 7 7 19868 1 . SER 8 8 19868 1 . VAL 9 9 19868 1 . PRO 10 10 19868 1 . GLY 11 11 19868 1 . THR 12 12 19868 1 . TYR 13 13 19868 1 . ARG 14 14 19868 1 . LYS 15 15 19868 1 . VAL 16 16 19868 1 . VAL 17 17 19868 1 . ALA 18 18 19868 1 . ALA 19 19 19868 1 . ARG 20 20 19868 1 . ALA 21 21 19868 1 . PRO 22 22 19868 1 . ARG 23 23 19868 1 . LYS 24 24 19868 1 . VAL 25 25 19868 1 . LEU 26 26 19868 1 . GLY 27 27 19868 1 . SER 28 28 19868 1 . SER 29 29 19868 1 . THR 30 30 19868 1 . SER 31 31 19868 1 . ALA 32 32 19868 1 . THR 33 33 19868 1 . ASN 34 34 19868 1 . SER 35 35 19868 1 . THR 36 36 19868 1 . SER 37 37 19868 1 . VAL 38 38 19868 1 . SER 39 39 19868 1 . SER 40 40 19868 1 . ARG 41 41 19868 1 . LYS 42 42 19868 1 . ALA 43 43 19868 1 . GLU 44 44 19868 1 . ASN 45 45 19868 1 . LYS 46 46 19868 1 . TYR 47 47 19868 1 . ALA 48 48 19868 1 . GLY 49 49 19868 1 . GLY 50 50 19868 1 . ASN 51 51 19868 1 . PRO 52 52 19868 1 . VAL 53 53 19868 1 . CYS 54 54 19868 1 . VAL 55 55 19868 1 . ARG 56 56 19868 1 . PRO 57 57 19868 1 . THR 58 58 19868 1 . PRO 59 59 19868 1 . LYS 60 60 19868 1 . TRP 61 61 19868 1 . GLN 62 62 19868 1 . LYS 63 63 19868 1 . GLY 64 64 19868 1 . ILE 65 65 19868 1 . GLY 66 66 19868 1 . GLU 67 67 19868 1 . PHE 68 68 19868 1 . PHE 69 69 19868 1 . ARG 70 70 19868 1 . LEU 71 71 19868 1 . SER 72 72 19868 1 . PRO 73 73 19868 1 . LYS 74 74 19868 1 . ASP 75 75 19868 1 . SER 76 76 19868 1 . GLU 77 77 19868 1 . LYS 78 78 19868 1 . GLU 79 79 19868 1 . ASN 80 80 19868 1 . GLN 81 81 19868 1 . ILE 82 82 19868 1 . PRO 83 83 19868 1 . GLU 84 84 19868 1 . GLU 85 85 19868 1 . ALA 86 86 19868 1 . GLY 87 87 19868 1 . SER 88 88 19868 1 . SER 89 89 19868 1 . GLY 90 90 19868 1 . LEU 91 91 19868 1 . GLY 92 92 19868 1 . LYS 93 93 19868 1 . ALA 94 94 19868 1 . LYS 95 95 19868 1 . ARG 96 96 19868 1 . LYS 97 97 19868 1 . ALA 98 98 19868 1 . CYS 99 99 19868 1 . PRO 100 100 19868 1 . LEU 101 101 19868 1 . GLN 102 102 19868 1 . PRO 103 103 19868 1 . ASP 104 104 19868 1 . HIS 105 105 19868 1 . THR 106 106 19868 1 . ASN 107 107 19868 1 . ASP 108 108 19868 1 . GLU 109 109 19868 1 . LYS 110 110 19868 1 . GLU 111 111 19868 1 stop_ save_ save_hPCNA_trimer _Entity.Sf_category entity _Entity.Sf_framecode hPCNA_trimer _Entity.Entry_ID 19868 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PCNA_trimer _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 ; GPHMFEARLVQGSILKKVLE ALKDLINEACWDISSSGVNL QSMDSSHVSLVQLTLRSEGF DTYRCDRNLAMGVNLTSMSK ILKCAGNEDIITLRAEDNAD TLALVFEAPNQEKVSDYEMK LMDLDVEQLGIPEQEYSCVV KMPSGEFARICRDLSHIGDA VVISCAKDGVKFSASGELGN GNIKLSQTSNVDKEEEAVTI EMNEPVQLTFALRYLNFFTK ATPLSSTVTLSMSADVPLVV EYKIADMGHLKYYLAPKIED EEGS ; _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 264 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . GLY . 19868 2 2 . PRO . 19868 2 3 . HIS . 19868 2 4 . MET . 19868 2 5 . PHE . 19868 2 6 . GLU . 19868 2 7 . ALA . 19868 2 8 . ARG . 19868 2 9 . LEU . 19868 2 10 . VAL . 19868 2 11 . GLN . 19868 2 12 . GLY . 19868 2 13 . SER . 19868 2 14 . ILE . 19868 2 15 . LEU . 19868 2 16 . LYS . 19868 2 17 . LYS . 19868 2 18 . VAL . 19868 2 19 . LEU . 19868 2 20 . GLU . 19868 2 21 . ALA . 19868 2 22 . LEU . 19868 2 23 . LYS . 19868 2 24 . ASP . 19868 2 25 . LEU . 19868 2 26 . ILE . 19868 2 27 . ASN . 19868 2 28 . GLU . 19868 2 29 . ALA . 19868 2 30 . CYS . 19868 2 31 . TRP . 19868 2 32 . ASP . 19868 2 33 . ILE . 19868 2 34 . SER . 19868 2 35 . SER . 19868 2 36 . SER . 19868 2 37 . GLY . 19868 2 38 . VAL . 19868 2 39 . ASN . 19868 2 40 . LEU . 19868 2 41 . GLN . 19868 2 42 . SER . 19868 2 43 . MET . 19868 2 44 . ASP . 19868 2 45 . SER . 19868 2 46 . SER . 19868 2 47 . HIS . 19868 2 48 . VAL . 19868 2 49 . SER . 19868 2 50 . LEU . 19868 2 51 . VAL . 19868 2 52 . GLN . 19868 2 53 . LEU . 19868 2 54 . THR . 19868 2 55 . LEU . 19868 2 56 . ARG . 19868 2 57 . SER . 19868 2 58 . GLU . 19868 2 59 . GLY . 19868 2 60 . PHE . 19868 2 61 . ASP . 19868 2 62 . THR . 19868 2 63 . TYR . 19868 2 64 . ARG . 19868 2 65 . CYS . 19868 2 66 . ASP . 19868 2 67 . ARG . 19868 2 68 . ASN . 19868 2 69 . LEU . 19868 2 70 . ALA . 19868 2 71 . MET . 19868 2 72 . GLY . 19868 2 73 . VAL . 19868 2 74 . ASN . 19868 2 75 . LEU . 19868 2 76 . THR . 19868 2 77 . SER . 19868 2 78 . MET . 19868 2 79 . SER . 19868 2 80 . LYS . 19868 2 81 . ILE . 19868 2 82 . LEU . 19868 2 83 . LYS . 19868 2 84 . CYS . 19868 2 85 . ALA . 19868 2 86 . GLY . 19868 2 87 . ASN . 19868 2 88 . GLU . 19868 2 89 . ASP . 19868 2 90 . ILE . 19868 2 91 . ILE . 19868 2 92 . THR . 19868 2 93 . LEU . 19868 2 94 . ARG . 19868 2 95 . ALA . 19868 2 96 . GLU . 19868 2 97 . ASP . 19868 2 98 . ASN . 19868 2 99 . ALA . 19868 2 100 . ASP . 19868 2 101 . THR . 19868 2 102 . LEU . 19868 2 103 . ALA . 19868 2 104 . LEU . 19868 2 105 . VAL . 19868 2 106 . PHE . 19868 2 107 . GLU . 19868 2 108 . ALA . 19868 2 109 . PRO . 19868 2 110 . ASN . 19868 2 111 . GLN . 19868 2 112 . GLU . 19868 2 113 . LYS . 19868 2 114 . VAL . 19868 2 115 . SER . 19868 2 116 . ASP . 19868 2 117 . TYR . 19868 2 118 . GLU . 19868 2 119 . MET . 19868 2 120 . LYS . 19868 2 121 . LEU . 19868 2 122 . MET . 19868 2 123 . ASP . 19868 2 124 . LEU . 19868 2 125 . ASP . 19868 2 126 . VAL . 19868 2 127 . GLU . 19868 2 128 . GLN . 19868 2 129 . LEU . 19868 2 130 . GLY . 19868 2 131 . ILE . 19868 2 132 . PRO . 19868 2 133 . GLU . 19868 2 134 . GLN . 19868 2 135 . GLU . 19868 2 136 . TYR . 19868 2 137 . SER . 19868 2 138 . CYS . 19868 2 139 . VAL . 19868 2 140 . VAL . 19868 2 141 . LYS . 19868 2 142 . MET . 19868 2 143 . PRO . 19868 2 144 . SER . 19868 2 145 . GLY . 19868 2 146 . GLU . 19868 2 147 . PHE . 19868 2 148 . ALA . 19868 2 149 . ARG . 19868 2 150 . ILE . 19868 2 151 . CYS . 19868 2 152 . ARG . 19868 2 153 . ASP . 19868 2 154 . LEU . 19868 2 155 . SER . 19868 2 156 . HIS . 19868 2 157 . ILE . 19868 2 158 . GLY . 19868 2 159 . ASP . 19868 2 160 . ALA . 19868 2 161 . VAL . 19868 2 162 . VAL . 19868 2 163 . ILE . 19868 2 164 . SER . 19868 2 165 . CYS . 19868 2 166 . ALA . 19868 2 167 . LYS . 19868 2 168 . ASP . 19868 2 169 . GLY . 19868 2 170 . VAL . 19868 2 171 . LYS . 19868 2 172 . PHE . 19868 2 173 . SER . 19868 2 174 . ALA . 19868 2 175 . SER . 19868 2 176 . GLY . 19868 2 177 . GLU . 19868 2 178 . LEU . 19868 2 179 . GLY . 19868 2 180 . ASN . 19868 2 181 . GLY . 19868 2 182 . ASN . 19868 2 183 . ILE . 19868 2 184 . LYS . 19868 2 185 . LEU . 19868 2 186 . SER . 19868 2 187 . GLN . 19868 2 188 . THR . 19868 2 189 . SER . 19868 2 190 . ASN . 19868 2 191 . VAL . 19868 2 192 . ASP . 19868 2 193 . LYS . 19868 2 194 . GLU . 19868 2 195 . GLU . 19868 2 196 . GLU . 19868 2 197 . ALA . 19868 2 198 . VAL . 19868 2 199 . THR . 19868 2 200 . ILE . 19868 2 201 . GLU . 19868 2 202 . MET . 19868 2 203 . ASN . 19868 2 204 . GLU . 19868 2 205 . PRO . 19868 2 206 . VAL . 19868 2 207 . GLN . 19868 2 208 . LEU . 19868 2 209 . THR . 19868 2 210 . PHE . 19868 2 211 . ALA . 19868 2 212 . LEU . 19868 2 213 . ARG . 19868 2 214 . TYR . 19868 2 215 . LEU . 19868 2 216 . ASN . 19868 2 217 . PHE . 19868 2 218 . PHE . 19868 2 219 . THR . 19868 2 220 . LYS . 19868 2 221 . ALA . 19868 2 222 . THR . 19868 2 223 . PRO . 19868 2 224 . LEU . 19868 2 225 . SER . 19868 2 226 . SER . 19868 2 227 . THR . 19868 2 228 . VAL . 19868 2 229 . THR . 19868 2 230 . LEU . 19868 2 231 . SER . 19868 2 232 . MET . 19868 2 233 . SER . 19868 2 234 . ALA . 19868 2 235 . ASP . 19868 2 236 . VAL . 19868 2 237 . PRO . 19868 2 238 . LEU . 19868 2 239 . VAL . 19868 2 240 . VAL . 19868 2 241 . GLU . 19868 2 242 . TYR . 19868 2 243 . LYS . 19868 2 244 . ILE . 19868 2 245 . ALA . 19868 2 246 . ASP . 19868 2 247 . MET . 19868 2 248 . GLY . 19868 2 249 . HIS . 19868 2 250 . LEU . 19868 2 251 . LYS . 19868 2 252 . TYR . 19868 2 253 . TYR . 19868 2 254 . LEU . 19868 2 255 . ALA . 19868 2 256 . PRO . 19868 2 257 . LYS . 19868 2 258 . ILE . 19868 2 259 . GLU . 19868 2 260 . ASP . 19868 2 261 . GLU . 19868 2 262 . GLU . 19868 2 263 . GLY . 19868 2 264 . SER . 19868 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 . GLY 1 1 19868 2 . PRO 2 2 19868 2 . HIS 3 3 19868 2 . MET 4 4 19868 2 . PHE 5 5 19868 2 . GLU 6 6 19868 2 . ALA 7 7 19868 2 . ARG 8 8 19868 2 . LEU 9 9 19868 2 . VAL 10 10 19868 2 . GLN 11 11 19868 2 . GLY 12 12 19868 2 . SER 13 13 19868 2 . ILE 14 14 19868 2 . LEU 15 15 19868 2 . LYS 16 16 19868 2 . LYS 17 17 19868 2 . VAL 18 18 19868 2 . LEU 19 19 19868 2 . GLU 20 20 19868 2 . ALA 21 21 19868 2 . LEU 22 22 19868 2 . LYS 23 23 19868 2 . ASP 24 24 19868 2 . LEU 25 25 19868 2 . ILE 26 26 19868 2 . ASN 27 27 19868 2 . GLU 28 28 19868 2 . ALA 29 29 19868 2 . CYS 30 30 19868 2 . TRP 31 31 19868 2 . ASP 32 32 19868 2 . ILE 33 33 19868 2 . SER 34 34 19868 2 . SER 35 35 19868 2 . SER 36 36 19868 2 . GLY 37 37 19868 2 . VAL 38 38 19868 2 . ASN 39 39 19868 2 . LEU 40 40 19868 2 . GLN 41 41 19868 2 . SER 42 42 19868 2 . MET 43 43 19868 2 . ASP 44 44 19868 2 . SER 45 45 19868 2 . SER 46 46 19868 2 . HIS 47 47 19868 2 . VAL 48 48 19868 2 . SER 49 49 19868 2 . LEU 50 50 19868 2 . VAL 51 51 19868 2 . GLN 52 52 19868 2 . LEU 53 53 19868 2 . THR 54 54 19868 2 . LEU 55 55 19868 2 . ARG 56 56 19868 2 . SER 57 57 19868 2 . GLU 58 58 19868 2 . GLY 59 59 19868 2 . PHE 60 60 19868 2 . ASP 61 61 19868 2 . THR 62 62 19868 2 . TYR 63 63 19868 2 . ARG 64 64 19868 2 . CYS 65 65 19868 2 . ASP 66 66 19868 2 . ARG 67 67 19868 2 . ASN 68 68 19868 2 . LEU 69 69 19868 2 . ALA 70 70 19868 2 . MET 71 71 19868 2 . GLY 72 72 19868 2 . VAL 73 73 19868 2 . ASN 74 74 19868 2 . LEU 75 75 19868 2 . THR 76 76 19868 2 . SER 77 77 19868 2 . MET 78 78 19868 2 . SER 79 79 19868 2 . LYS 80 80 19868 2 . ILE 81 81 19868 2 . LEU 82 82 19868 2 . LYS 83 83 19868 2 . CYS 84 84 19868 2 . ALA 85 85 19868 2 . GLY 86 86 19868 2 . ASN 87 87 19868 2 . GLU 88 88 19868 2 . ASP 89 89 19868 2 . ILE 90 90 19868 2 . ILE 91 91 19868 2 . THR 92 92 19868 2 . LEU 93 93 19868 2 . ARG 94 94 19868 2 . ALA 95 95 19868 2 . GLU 96 96 19868 2 . ASP 97 97 19868 2 . ASN 98 98 19868 2 . ALA 99 99 19868 2 . ASP 100 100 19868 2 . THR 101 101 19868 2 . LEU 102 102 19868 2 . ALA 103 103 19868 2 . LEU 104 104 19868 2 . VAL 105 105 19868 2 . PHE 106 106 19868 2 . GLU 107 107 19868 2 . ALA 108 108 19868 2 . PRO 109 109 19868 2 . ASN 110 110 19868 2 . GLN 111 111 19868 2 . GLU 112 112 19868 2 . LYS 113 113 19868 2 . VAL 114 114 19868 2 . SER 115 115 19868 2 . ASP 116 116 19868 2 . TYR 117 117 19868 2 . GLU 118 118 19868 2 . MET 119 119 19868 2 . LYS 120 120 19868 2 . LEU 121 121 19868 2 . MET 122 122 19868 2 . ASP 123 123 19868 2 . LEU 124 124 19868 2 . ASP 125 125 19868 2 . VAL 126 126 19868 2 . GLU 127 127 19868 2 . GLN 128 128 19868 2 . LEU 129 129 19868 2 . GLY 130 130 19868 2 . ILE 131 131 19868 2 . PRO 132 132 19868 2 . GLU 133 133 19868 2 . GLN 134 134 19868 2 . GLU 135 135 19868 2 . TYR 136 136 19868 2 . SER 137 137 19868 2 . CYS 138 138 19868 2 . VAL 139 139 19868 2 . VAL 140 140 19868 2 . LYS 141 141 19868 2 . MET 142 142 19868 2 . PRO 143 143 19868 2 . SER 144 144 19868 2 . GLY 145 145 19868 2 . GLU 146 146 19868 2 . PHE 147 147 19868 2 . ALA 148 148 19868 2 . ARG 149 149 19868 2 . ILE 150 150 19868 2 . CYS 151 151 19868 2 . ARG 152 152 19868 2 . ASP 153 153 19868 2 . LEU 154 154 19868 2 . SER 155 155 19868 2 . HIS 156 156 19868 2 . ILE 157 157 19868 2 . GLY 158 158 19868 2 . ASP 159 159 19868 2 . ALA 160 160 19868 2 . VAL 161 161 19868 2 . VAL 162 162 19868 2 . ILE 163 163 19868 2 . SER 164 164 19868 2 . CYS 165 165 19868 2 . ALA 166 166 19868 2 . LYS 167 167 19868 2 . ASP 168 168 19868 2 . GLY 169 169 19868 2 . VAL 170 170 19868 2 . LYS 171 171 19868 2 . PHE 172 172 19868 2 . SER 173 173 19868 2 . ALA 174 174 19868 2 . SER 175 175 19868 2 . GLY 176 176 19868 2 . GLU 177 177 19868 2 . LEU 178 178 19868 2 . GLY 179 179 19868 2 . ASN 180 180 19868 2 . GLY 181 181 19868 2 . ASN 182 182 19868 2 . ILE 183 183 19868 2 . LYS 184 184 19868 2 . LEU 185 185 19868 2 . SER 186 186 19868 2 . GLN 187 187 19868 2 . THR 188 188 19868 2 . SER 189 189 19868 2 . ASN 190 190 19868 2 . VAL 191 191 19868 2 . ASP 192 192 19868 2 . LYS 193 193 19868 2 . GLU 194 194 19868 2 . GLU 195 195 19868 2 . GLU 196 196 19868 2 . ALA 197 197 19868 2 . VAL 198 198 19868 2 . THR 199 199 19868 2 . ILE 200 200 19868 2 . GLU 201 201 19868 2 . MET 202 202 19868 2 . ASN 203 203 19868 2 . GLU 204 204 19868 2 . PRO 205 205 19868 2 . VAL 206 206 19868 2 . GLN 207 207 19868 2 . LEU 208 208 19868 2 . THR 209 209 19868 2 . PHE 210 210 19868 2 . ALA 211 211 19868 2 . LEU 212 212 19868 2 . ARG 213 213 19868 2 . TYR 214 214 19868 2 . LEU 215 215 19868 2 . ASN 216 216 19868 2 . PHE 217 217 19868 2 . PHE 218 218 19868 2 . THR 219 219 19868 2 . LYS 220 220 19868 2 . ALA 221 221 19868 2 . THR 222 222 19868 2 . PRO 223 223 19868 2 . LEU 224 224 19868 2 . SER 225 225 19868 2 . SER 226 226 19868 2 . THR 227 227 19868 2 . VAL 228 228 19868 2 . THR 229 229 19868 2 . LEU 230 230 19868 2 . SER 231 231 19868 2 . MET 232 232 19868 2 . SER 233 233 19868 2 . ALA 234 234 19868 2 . ASP 235 235 19868 2 . VAL 236 236 19868 2 . PRO 237 237 19868 2 . LEU 238 238 19868 2 . VAL 239 239 19868 2 . VAL 240 240 19868 2 . GLU 241 241 19868 2 . TYR 242 242 19868 2 . LYS 243 243 19868 2 . ILE 244 244 19868 2 . ALA 245 245 19868 2 . ASP 246 246 19868 2 . MET 247 247 19868 2 . GLY 248 248 19868 2 . HIS 249 249 19868 2 . LEU 250 250 19868 2 . LYS 251 251 19868 2 . TYR 252 252 19868 2 . TYR 253 253 19868 2 . LEU 254 254 19868 2 . ALA 255 255 19868 2 . PRO 256 256 19868 2 . LYS 257 257 19868 2 . ILE 258 258 19868 2 . GLU 259 259 19868 2 . ASP 260 260 19868 2 . GLU 261 261 19868 2 . GLU 262 262 19868 2 . GLY 263 263 19868 2 . SER 264 264 19868 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19868 _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 $p15(PAF) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19868 1 2 2 $hPCNA_trimer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19868 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 19868 _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 $p15(PAF) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet11d . . . 19868 1 2 2 $hPCNA_trimer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet28 . . . 19868 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19868 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 p15(PAF) '[U-100% 13C; U-100% 15N]' . . 1 $p15(PAF) . . 400 . . uM . . . . 19868 1 2 'PCNA trimer' '[U-100% 2H]' . . 2 $hPCNA_trimer . . 1.1 . . mM . . . . 19868 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19868 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 19868 1 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19868 1 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19868 1 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19868 1 8 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 19868 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19868 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 p15(PAF) '[U-100% 13C; U-100% 15N]' . . 1 $p15(PAF) . . 150 . . uM . . . . 19868 2 2 'PCNA trimer' '[U-100% 2H]' . . 2 $hPCNA_trimer . . 750 . . mM . . . . 19868 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19868 2 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 19868 2 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 19868 2 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 19868 2 7 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19868 2 8 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 19868 2 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 19868 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.150 . M 19868 1 pH 7.0 . pH 19868 1 pressure 1 . atm 19868 1 temperature 298 . K 19868 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19868 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19868 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 19868 1 processing . 19868 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19868 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19868 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 19868 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19868 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19868 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 spectrometer_1 Bruker Avance . 800 . . . 19868 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 19868 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 8 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 9 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 10 '3D HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19868 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19868 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19868 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19868 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19868 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19868 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 19868 1 2 '3D HNCO' . . . 19868 1 3 '3D HN(CA)CO' . . . 19868 1 4 '3D HNCACB' . . . 19868 1 5 '3D HN(CO)CACB' . . . 19868 1 6 '3D HNCA' . . . 19868 1 7 '3D HN(CO)CA' . . . 19868 1 8 '3D HNCO' . . . 19868 1 9 '3D HNCA' . . . 19868 1 10 '3D HN(CO)CACB' . . . 19868 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ARG C C 13 176.196 0.05 . 1 . . . . . 3 ARG C . 19868 1 2 . 1 . 1 3 3 ARG CA C 13 56.251 0.1 . 1 . . . . . 3 ARG CA . 19868 1 3 . 1 . 1 3 3 ARG CB C 13 30.956 0.1 . 1 . . . . . 3 ARG CB . 19868 1 4 . 1 . 1 4 4 THR H H 1 8.455 0.01 . 1 . . . . . 4 THR H . 19868 1 5 . 1 . 1 4 4 THR C C 13 174.516 0.05 . 1 . . . . . 4 THR C . 19868 1 6 . 1 . 1 4 4 THR CA C 13 61.737 0.1 . 1 . . . . . 4 THR CA . 19868 1 7 . 1 . 1 4 4 THR CB C 13 70.223 0.1 . 1 . . . . . 4 THR CB . 19868 1 8 . 1 . 1 4 4 THR N N 15 117.049 0.05 . 1 . . . . . 4 THR N . 19868 1 9 . 1 . 1 5 5 LYS H H 1 8.452 0.01 . 1 . . . . . 5 LYS H . 19868 1 10 . 1 . 1 5 5 LYS C C 13 176.44 0.05 . 1 . . . . . 5 LYS C . 19868 1 11 . 1 . 1 5 5 LYS CA C 13 56.621 0.1 . 1 . . . . . 5 LYS CA . 19868 1 12 . 1 . 1 5 5 LYS CB C 13 33.112 0.1 . 1 . . . . . 5 LYS CB . 19868 1 13 . 1 . 1 5 5 LYS N N 15 123.911 0.05 . 1 . . . . . 5 LYS N . 19868 1 14 . 1 . 1 6 6 ALA H H 1 8.386 0.01 . 1 . . . . . 6 ALA H . 19868 1 15 . 1 . 1 6 6 ALA C C 13 177.515 0.05 . 1 . . . . . 6 ALA C . 19868 1 16 . 1 . 1 6 6 ALA CA C 13 52.702 0.1 . 1 . . . . . 6 ALA CA . 19868 1 17 . 1 . 1 6 6 ALA CB C 13 19.266 0.1 . 1 . . . . . 6 ALA CB . 19868 1 18 . 1 . 1 6 6 ALA N N 15 125.419 0.05 . 1 . . . . . 6 ALA N . 19868 1 19 . 1 . 1 7 7 ASP H H 1 8.241 0.01 . 1 . . . . . 7 ASP H . 19868 1 20 . 1 . 1 7 7 ASP C C 13 176.253 0.05 . 1 . . . . . 7 ASP C . 19868 1 21 . 1 . 1 7 7 ASP CA C 13 54.432 0.1 . 1 . . . . . 7 ASP CA . 19868 1 22 . 1 . 1 7 7 ASP CB C 13 41.208 0.1 . 1 . . . . . 7 ASP CB . 19868 1 23 . 1 . 1 7 7 ASP N N 15 119.288 0.05 . 1 . . . . . 7 ASP N . 19868 1 24 . 1 . 1 8 8 SER H H 1 8.134 0.01 . 1 . . . . . 8 SER H . 19868 1 25 . 1 . 1 8 8 SER C C 13 174.145 0.05 . 1 . . . . . 8 SER C . 19868 1 26 . 1 . 1 8 8 SER CA C 13 58.277 0.1 . 1 . . . . . 8 SER CA . 19868 1 27 . 1 . 1 8 8 SER CB C 13 63.968 0.1 . 1 . . . . . 8 SER CB . 19868 1 28 . 1 . 1 8 8 SER N N 15 115.57 0.05 . 1 . . . . . 8 SER N . 19868 1 29 . 1 . 1 9 9 VAL H H 1 8.143 0.01 . 1 . . . . . 9 VAL H . 19868 1 30 . 1 . 1 9 9 VAL CA C 13 60.128 0.1 . 1 . . . . . 9 VAL CA . 19868 1 31 . 1 . 1 9 9 VAL N N 15 122.959 0.05 . 1 . . . . . 9 VAL N . 19868 1 32 . 1 . 1 10 10 PRO C C 13 177.545 0.05 . 1 . . . . . 10 PRO C . 19868 1 33 . 1 . 1 10 10 PRO CA C 13 63.653 0.1 . 1 . . . . . 10 PRO CA . 19868 1 34 . 1 . 1 10 10 PRO CB C 13 32.205 0.1 . 1 . . . . . 10 PRO CB . 19868 1 35 . 1 . 1 11 11 GLY H H 1 8.516 0.01 . 1 . . . . . 11 GLY H . 19868 1 36 . 1 . 1 11 11 GLY C C 13 174.418 0.05 . 1 . . . . . 11 GLY C . 19868 1 37 . 1 . 1 11 11 GLY CA C 13 45.514 0.1 . 1 . . . . . 11 GLY CA . 19868 1 38 . 1 . 1 11 11 GLY N N 15 109.239 0.05 . 1 . . . . . 11 GLY N . 19868 1 39 . 1 . 1 12 12 THR H H 1 7.919 0.01 . 1 . . . . . 12 THR H . 19868 1 40 . 1 . 1 12 12 THR C C 13 174.313 0.05 . 1 . . . . . 12 THR C . 19868 1 41 . 1 . 1 12 12 THR CA C 13 62.238 0.1 . 1 . . . . . 12 THR CA . 19868 1 42 . 1 . 1 12 12 THR CB C 13 69.922 0.1 . 1 . . . . . 12 THR CB . 19868 1 43 . 1 . 1 12 12 THR N N 15 113.394 0.05 . 1 . . . . . 12 THR N . 19868 1 44 . 1 . 1 13 13 TYR H H 1 8.233 0.01 . 1 . . . . . 13 TYR H . 19868 1 45 . 1 . 1 13 13 TYR C C 13 175.449 0.05 . 1 . . . . . 13 TYR C . 19868 1 46 . 1 . 1 13 13 TYR CA C 13 58.06 0.1 . 1 . . . . . 13 TYR CA . 19868 1 47 . 1 . 1 13 13 TYR CB C 13 38.829 0.1 . 1 . . . . . 13 TYR CB . 19868 1 48 . 1 . 1 13 13 TYR N N 15 122.785 0.05 . 1 . . . . . 13 TYR N . 19868 1 49 . 1 . 1 14 14 ARG H H 1 8.104 0.01 . 1 . . . . . 14 ARG H . 19868 1 50 . 1 . 1 14 14 ARG C C 13 175.47 0.05 . 1 . . . . . 14 ARG C . 19868 1 51 . 1 . 1 14 14 ARG CA C 13 55.818 0.1 . 1 . . . . . 14 ARG CA . 19868 1 52 . 1 . 1 14 14 ARG CB C 13 31.101 0.1 . 1 . . . . . 14 ARG CB . 19868 1 53 . 1 . 1 14 14 ARG N N 15 123.337 0.05 . 1 . . . . . 14 ARG N . 19868 1 54 . 1 . 1 15 15 LYS H H 1 8.244 0.01 . 1 . . . . . 15 LYS H . 19868 1 55 . 1 . 1 15 15 LYS C C 13 176.382 0.05 . 1 . . . . . 15 LYS C . 19868 1 56 . 1 . 1 15 15 LYS CA C 13 56.46 0.1 . 1 . . . . . 15 LYS CA . 19868 1 57 . 1 . 1 15 15 LYS CB C 13 33.073 0.1 . 1 . . . . . 15 LYS CB . 19868 1 58 . 1 . 1 15 15 LYS N N 15 123.369 0.05 . 1 . . . . . 15 LYS N . 19868 1 59 . 1 . 1 16 16 VAL H H 1 8.231 0.01 . 1 . . . . . 16 VAL H . 19868 1 60 . 1 . 1 16 16 VAL C C 13 176.065 0.05 . 1 . . . . . 16 VAL C . 19868 1 61 . 1 . 1 16 16 VAL CA C 13 62.346 0.1 . 1 . . . . . 16 VAL CA . 19868 1 62 . 1 . 1 16 16 VAL CB C 13 32.862 0.1 . 1 . . . . . 16 VAL CB . 19868 1 63 . 1 . 1 16 16 VAL N N 15 122.904 0.05 . 1 . . . . . 16 VAL N . 19868 1 64 . 1 . 1 17 17 VAL H H 1 8.255 0.01 . 1 . . . . . 17 VAL H . 19868 1 65 . 1 . 1 17 17 VAL C C 13 175.708 0.05 . 1 . . . . . 17 VAL C . 19868 1 66 . 1 . 1 17 17 VAL CA C 13 62.187 0.1 . 1 . . . . . 17 VAL CA . 19868 1 67 . 1 . 1 17 17 VAL CB C 13 32.881 0.1 . 1 . . . . . 17 VAL CB . 19868 1 68 . 1 . 1 17 17 VAL N N 15 124.92 0.05 . 1 . . . . . 17 VAL N . 19868 1 69 . 1 . 1 18 18 ALA H H 1 8.364 0.01 . 1 . . . . . 18 ALA H . 19868 1 70 . 1 . 1 18 18 ALA C C 13 177.248 0.05 . 1 . . . . . 18 ALA C . 19868 1 71 . 1 . 1 18 18 ALA CA C 13 52.358 0.1 . 1 . . . . . 18 ALA CA . 19868 1 72 . 1 . 1 18 18 ALA CB C 13 19.374 0.1 . 1 . . . . . 18 ALA CB . 19868 1 73 . 1 . 1 18 18 ALA N N 15 128.262 0.05 . 1 . . . . . 18 ALA N . 19868 1 74 . 1 . 1 19 19 ALA H H 1 8.259 0.01 . 1 . . . . . 19 ALA H . 19868 1 75 . 1 . 1 19 19 ALA C C 13 177.583 0.05 . 1 . . . . . 19 ALA C . 19868 1 76 . 1 . 1 19 19 ALA CA C 13 52.408 0.1 . 1 . . . . . 19 ALA CA . 19868 1 77 . 1 . 1 19 19 ALA N N 15 123.684 0.05 . 1 . . . . . 19 ALA N . 19868 1 78 . 1 . 1 20 20 ARG H H 1 8.268 0.01 . 1 . . . . . 20 ARG H . 19868 1 79 . 1 . 1 20 20 ARG C C 13 175.686 0.05 . 1 . . . . . 20 ARG C . 19868 1 80 . 1 . 1 20 20 ARG CA C 13 55.687 0.1 . 1 . . . . . 20 ARG CA . 19868 1 81 . 1 . 1 20 20 ARG CB C 13 31.048 0.1 . 1 . . . . . 20 ARG CB . 19868 1 82 . 1 . 1 20 20 ARG N N 15 120.467 0.05 . 1 . . . . . 20 ARG N . 19868 1 83 . 1 . 1 21 21 ALA H H 1 8.331 0.01 . 1 . . . . . 21 ALA H . 19868 1 84 . 1 . 1 21 21 ALA CA C 13 50.534 0.1 . 1 . . . . . 21 ALA CA . 19868 1 85 . 1 . 1 21 21 ALA N N 15 126.879 0.05 . 1 . . . . . 21 ALA N . 19868 1 86 . 1 . 1 22 22 PRO C C 13 176.812 0.05 . 1 . . . . . 22 PRO C . 19868 1 87 . 1 . 1 22 22 PRO CA C 13 62.937 0.1 . 1 . . . . . 22 PRO CA . 19868 1 88 . 1 . 1 22 22 PRO CB C 13 32.139 0.1 . 1 . . . . . 22 PRO CB . 19868 1 89 . 1 . 1 23 23 ARG H H 1 8.418 0.01 . 1 . . . . . 23 ARG H . 19868 1 90 . 1 . 1 23 23 ARG C C 13 176.234 0.05 . 1 . . . . . 23 ARG C . 19868 1 91 . 1 . 1 23 23 ARG CA C 13 56.133 0.1 . 1 . . . . . 23 ARG CA . 19868 1 92 . 1 . 1 23 23 ARG CB C 13 31.012 0.1 . 1 . . . . . 23 ARG CB . 19868 1 93 . 1 . 1 23 23 ARG N N 15 121.592 0.05 . 1 . . . . . 23 ARG N . 19868 1 94 . 1 . 1 24 24 LYS H H 1 8.398 0.01 . 1 . . . . . 24 LYS H . 19868 1 95 . 1 . 1 24 24 LYS C C 13 176.208 0.05 . 1 . . . . . 24 LYS C . 19868 1 96 . 1 . 1 24 24 LYS CA C 13 56.248 0.1 . 1 . . . . . 24 LYS CA . 19868 1 97 . 1 . 1 24 24 LYS CB C 13 33.181 0.1 . 1 . . . . . 24 LYS CB . 19868 1 98 . 1 . 1 24 24 LYS N N 15 123.453 0.05 . 1 . . . . . 24 LYS N . 19868 1 99 . 1 . 1 25 25 VAL H H 1 8.271 0.01 . 1 . . . . . 25 VAL H . 19868 1 100 . 1 . 1 25 25 VAL C C 13 176.082 0.05 . 1 . . . . . 25 VAL C . 19868 1 101 . 1 . 1 25 25 VAL CA C 13 62.223 0.1 . 1 . . . . . 25 VAL CA . 19868 1 102 . 1 . 1 25 25 VAL CB C 13 32.869 0.1 . 1 . . . . . 25 VAL CB . 19868 1 103 . 1 . 1 25 25 VAL N N 15 122.71 0.05 . 1 . . . . . 25 VAL N . 19868 1 104 . 1 . 1 26 26 LEU H H 1 8.447 0.01 . 1 . . . . . 26 LEU H . 19868 1 105 . 1 . 1 26 26 LEU C C 13 177.77 0.05 . 1 . . . . . 26 LEU C . 19868 1 106 . 1 . 1 26 26 LEU CA C 13 55.255 0.1 . 1 . . . . . 26 LEU CA . 19868 1 107 . 1 . 1 26 26 LEU CB C 13 42.447 0.1 . 1 . . . . . 26 LEU CB . 19868 1 108 . 1 . 1 26 26 LEU N N 15 126.802 0.05 . 1 . . . . . 26 LEU N . 19868 1 109 . 1 . 1 27 27 GLY H H 1 8.46 0.01 . 1 . . . . . 27 GLY H . 19868 1 110 . 1 . 1 27 27 GLY C C 13 174.117 0.05 . 1 . . . . . 27 GLY C . 19868 1 111 . 1 . 1 27 27 GLY CA C 13 45.344 0.1 . 1 . . . . . 27 GLY CA . 19868 1 112 . 1 . 1 27 27 GLY N N 15 110.108 0.05 . 1 . . . . . 27 GLY N . 19868 1 113 . 1 . 1 28 28 SER H H 1 8.245 0.01 . 1 . . . . . 28 SER H . 19868 1 114 . 1 . 1 28 28 SER C C 13 174.911 0.05 . 1 . . . . . 28 SER C . 19868 1 115 . 1 . 1 28 28 SER CA C 13 58.217 0.1 . 1 . . . . . 28 SER CA . 19868 1 116 . 1 . 1 28 28 SER CB C 13 64.071 0.1 . 1 . . . . . 28 SER CB . 19868 1 117 . 1 . 1 28 28 SER N N 15 115.406 0.05 . 1 . . . . . 28 SER N . 19868 1 118 . 1 . 1 29 29 SER H H 1 8.514 0.01 . 1 . . . . . 29 SER H . 19868 1 119 . 1 . 1 29 29 SER C C 13 174.991 0.05 . 1 . . . . . 29 SER C . 19868 1 120 . 1 . 1 29 29 SER CA C 13 58.57 0.1 . 1 . . . . . 29 SER CA . 19868 1 121 . 1 . 1 29 29 SER CB C 13 63.823 0.1 . 1 . . . . . 29 SER CB . 19868 1 122 . 1 . 1 29 29 SER N N 15 117.986 0.05 . 1 . . . . . 29 SER N . 19868 1 123 . 1 . 1 30 30 THR H H 1 8.244 0.01 . 1 . . . . . 30 THR H . 19868 1 124 . 1 . 1 30 30 THR C C 13 174.74 0.05 . 1 . . . . . 30 THR C . 19868 1 125 . 1 . 1 30 30 THR CA C 13 62.028 0.1 . 1 . . . . . 30 THR CA . 19868 1 126 . 1 . 1 30 30 THR CB C 13 69.713 0.1 . 1 . . . . . 30 THR CB . 19868 1 127 . 1 . 1 30 30 THR N N 15 115.529 0.05 . 1 . . . . . 30 THR N . 19868 1 128 . 1 . 1 31 31 SER H H 1 8.298 0.01 . 1 . . . . . 31 SER H . 19868 1 129 . 1 . 1 31 31 SER C C 13 174.444 0.05 . 1 . . . . . 31 SER C . 19868 1 130 . 1 . 1 31 31 SER CA C 13 58.445 0.1 . 1 . . . . . 31 SER CA . 19868 1 131 . 1 . 1 31 31 SER CB C 13 63.895 0.1 . 1 . . . . . 31 SER CB . 19868 1 132 . 1 . 1 31 31 SER N N 15 118.068 0.05 . 1 . . . . . 31 SER N . 19868 1 133 . 1 . 1 32 32 ALA H H 1 8.389 0.01 . 1 . . . . . 32 ALA H . 19868 1 134 . 1 . 1 32 32 ALA C C 13 178.087 0.05 . 1 . . . . . 32 ALA C . 19868 1 135 . 1 . 1 32 32 ALA CA C 13 52.841 0.1 . 1 . . . . . 32 ALA CA . 19868 1 136 . 1 . 1 32 32 ALA CB C 13 19.316 0.1 . 1 . . . . . 32 ALA CB . 19868 1 137 . 1 . 1 32 32 ALA N N 15 126.165 0.05 . 1 . . . . . 32 ALA N . 19868 1 138 . 1 . 1 33 33 THR H H 1 8.129 0.01 . 1 . . . . . 33 THR H . 19868 1 139 . 1 . 1 33 33 THR C C 13 174.503 0.05 . 1 . . . . . 33 THR C . 19868 1 140 . 1 . 1 33 33 THR CA C 13 61.98 0.1 . 1 . . . . . 33 THR CA . 19868 1 141 . 1 . 1 33 33 THR CB C 13 69.765 0.1 . 1 . . . . . 33 THR CB . 19868 1 142 . 1 . 1 33 33 THR N N 15 112.746 0.05 . 1 . . . . . 33 THR N . 19868 1 143 . 1 . 1 34 34 ASN H H 1 8.396 0.01 . 1 . . . . . 34 ASN H . 19868 1 144 . 1 . 1 34 34 ASN C C 13 175.384 0.05 . 1 . . . . . 34 ASN C . 19868 1 145 . 1 . 1 34 34 ASN CA C 13 53.364 0.1 . 1 . . . . . 34 ASN CA . 19868 1 146 . 1 . 1 34 34 ASN CB C 13 38.99 0.1 . 1 . . . . . 34 ASN CB . 19868 1 147 . 1 . 1 34 34 ASN N N 15 120.932 0.05 . 1 . . . . . 34 ASN N . 19868 1 148 . 1 . 1 35 35 SER H H 1 8.338 0.01 . 1 . . . . . 35 SER H . 19868 1 149 . 1 . 1 35 35 SER CA C 13 58.711 0.1 . 1 . . . . . 35 SER CA . 19868 1 150 . 1 . 1 35 35 SER N N 15 116.292 0.05 . 1 . . . . . 35 SER N . 19868 1 151 . 1 . 1 36 36 THR C C 13 174.782 0.05 . 1 . . . . . 36 THR C . 19868 1 152 . 1 . 1 36 36 THR CA C 13 62.066 0.1 . 1 . . . . . 36 THR CA . 19868 1 153 . 1 . 1 36 36 THR CB C 13 69.713 0.1 . 1 . . . . . 36 THR CB . 19868 1 154 . 1 . 1 37 37 SER H H 1 8.314 0.01 . 1 . . . . . 37 SER H . 19868 1 155 . 1 . 1 37 37 SER C C 13 174.806 0.05 . 1 . . . . . 37 SER C . 19868 1 156 . 1 . 1 37 37 SER CA C 13 58.49 0.1 . 1 . . . . . 37 SER CA . 19868 1 157 . 1 . 1 37 37 SER CB C 13 63.846 0.1 . 1 . . . . . 37 SER CB . 19868 1 158 . 1 . 1 37 37 SER N N 15 118.275 0.05 . 1 . . . . . 37 SER N . 19868 1 159 . 1 . 1 38 38 VAL H H 1 8.185 0.01 . 1 . . . . . 38 VAL H . 19868 1 160 . 1 . 1 38 38 VAL C C 13 176.562 0.05 . 1 . . . . . 38 VAL C . 19868 1 161 . 1 . 1 38 38 VAL CA C 13 62.787 0.1 . 1 . . . . . 38 VAL CA . 19868 1 162 . 1 . 1 38 38 VAL CB C 13 32.665 0.1 . 1 . . . . . 38 VAL CB . 19868 1 163 . 1 . 1 38 38 VAL N N 15 121.667 0.05 . 1 . . . . . 38 VAL N . 19868 1 164 . 1 . 1 39 39 SER H H 1 8.362 0.01 . 1 . . . . . 39 SER H . 19868 1 165 . 1 . 1 39 39 SER C C 13 174.941 0.05 . 1 . . . . . 39 SER C . 19868 1 166 . 1 . 1 39 39 SER CA C 13 58.698 0.1 . 1 . . . . . 39 SER CA . 19868 1 167 . 1 . 1 39 39 SER CB C 13 63.741 0.1 . 1 . . . . . 39 SER CB . 19868 1 168 . 1 . 1 39 39 SER N N 15 118.687 0.05 . 1 . . . . . 39 SER N . 19868 1 169 . 1 . 1 40 40 SER H H 1 8.306 0.01 . 1 . . . . . 40 SER H . 19868 1 170 . 1 . 1 40 40 SER C C 13 174.65 0.05 . 1 . . . . . 40 SER C . 19868 1 171 . 1 . 1 40 40 SER CA C 13 58.559 0.1 . 1 . . . . . 40 SER CA . 19868 1 172 . 1 . 1 40 40 SER CB C 13 63.753 0.1 . 1 . . . . . 40 SER CB . 19868 1 173 . 1 . 1 40 40 SER N N 15 118.12 0.05 . 1 . . . . . 40 SER N . 19868 1 174 . 1 . 1 41 41 ARG H H 1 8.25 0.01 . 1 . . . . . 41 ARG H . 19868 1 175 . 1 . 1 41 41 ARG C C 13 176.234 0.05 . 1 . . . . . 41 ARG C . 19868 1 176 . 1 . 1 41 41 ARG N N 15 122.857 0.05 . 1 . . . . . 41 ARG N . 19868 1 177 . 1 . 1 42 42 LYS H H 1 8.398 0.01 . 1 . . . . . 42 LYS H . 19868 1 178 . 1 . 1 42 42 LYS C C 13 176.476 0.05 . 1 . . . . . 42 LYS C . 19868 1 179 . 1 . 1 42 42 LYS CA C 13 56.55 0.1 . 1 . . . . . 42 LYS CA . 19868 1 180 . 1 . 1 42 42 LYS CB C 13 33.057 0.1 . 1 . . . . . 42 LYS CB . 19868 1 181 . 1 . 1 42 42 LYS N N 15 123.449 0.05 . 1 . . . . . 42 LYS N . 19868 1 182 . 1 . 1 43 43 ALA H H 1 8.345 0.01 . 1 . . . . . 43 ALA H . 19868 1 183 . 1 . 1 43 43 ALA C C 13 177.753 0.05 . 1 . . . . . 43 ALA C . 19868 1 184 . 1 . 1 43 43 ALA CA C 13 52.82 0.1 . 1 . . . . . 43 ALA CA . 19868 1 185 . 1 . 1 43 43 ALA CB C 13 19.225 0.1 . 1 . . . . . 43 ALA CB . 19868 1 186 . 1 . 1 43 43 ALA N N 15 125.244 0.05 . 1 . . . . . 43 ALA N . 19868 1 187 . 1 . 1 44 44 GLU H H 1 8.388 0.01 . 1 . . . . . 44 GLU H . 19868 1 188 . 1 . 1 44 44 GLU C C 13 176.359 0.05 . 1 . . . . . 44 GLU C . 19868 1 189 . 1 . 1 44 44 GLU CA C 13 56.679 0.1 . 1 . . . . . 44 GLU CA . 19868 1 190 . 1 . 1 44 44 GLU CB C 13 30.447 0.1 . 1 . . . . . 44 GLU CB . 19868 1 191 . 1 . 1 44 44 GLU N N 15 120.094 0.05 . 1 . . . . . 44 GLU N . 19868 1 192 . 1 . 1 45 45 ASN H H 1 8.427 0.01 . 1 . . . . . 45 ASN H . 19868 1 193 . 1 . 1 45 45 ASN C C 13 175.299 0.05 . 1 . . . . . 45 ASN C . 19868 1 194 . 1 . 1 45 45 ASN CA C 13 53.268 0.1 . 1 . . . . . 45 ASN CA . 19868 1 195 . 1 . 1 45 45 ASN CB C 13 38.894 0.1 . 1 . . . . . 45 ASN CB . 19868 1 196 . 1 . 1 45 45 ASN N N 15 119.872 0.05 . 1 . . . . . 45 ASN N . 19868 1 197 . 1 . 1 46 46 LYS H H 1 8.272 0.01 . 1 . . . . . 46 LYS H . 19868 1 198 . 1 . 1 46 46 LYS C C 13 176.283 0.05 . 1 . . . . . 46 LYS C . 19868 1 199 . 1 . 1 46 46 LYS CA C 13 56.826 0.1 . 1 . . . . . 46 LYS CA . 19868 1 200 . 1 . 1 46 46 LYS CB C 13 32.952 0.1 . 1 . . . . . 46 LYS CB . 19868 1 201 . 1 . 1 46 46 LYS N N 15 121.89 0.05 . 1 . . . . . 46 LYS N . 19868 1 202 . 1 . 1 47 47 TYR H H 1 8.221 0.01 . 1 . . . . . 47 TYR H . 19868 1 203 . 1 . 1 47 47 TYR C C 13 175.818 0.05 . 1 . . . . . 47 TYR C . 19868 1 204 . 1 . 1 47 47 TYR CA C 13 57.721 0.1 . 1 . . . . . 47 TYR CA . 19868 1 205 . 1 . 1 47 47 TYR CB C 13 38.637 0.1 . 1 . . . . . 47 TYR CB . 19868 1 206 . 1 . 1 47 47 TYR N N 15 120.594 0.05 . 1 . . . . . 47 TYR N . 19868 1 207 . 1 . 1 48 48 ALA H H 1 8.217 0.01 . 1 . . . . . 48 ALA H . 19868 1 208 . 1 . 1 48 48 ALA C C 13 177.927 0.05 . 1 . . . . . 48 ALA C . 19868 1 209 . 1 . 1 48 48 ALA CA C 13 52.645 0.1 . 1 . . . . . 48 ALA CA . 19868 1 210 . 1 . 1 48 48 ALA CB C 13 19.329 0.1 . 1 . . . . . 48 ALA CB . 19868 1 211 . 1 . 1 48 48 ALA N N 15 126.276 0.05 . 1 . . . . . 48 ALA N . 19868 1 212 . 1 . 1 49 49 GLY H H 1 7.912 0.01 . 1 . . . . . 49 GLY H . 19868 1 213 . 1 . 1 49 49 GLY C C 13 174.519 0.05 . 1 . . . . . 49 GLY C . 19868 1 214 . 1 . 1 49 49 GLY CA C 13 45.454 0.1 . 1 . . . . . 49 GLY CA . 19868 1 215 . 1 . 1 49 49 GLY N N 15 107.616 0.05 . 1 . . . . . 49 GLY N . 19868 1 216 . 1 . 1 50 50 GLY H H 1 8.2 0.01 . 1 . . . . . 50 GLY H . 19868 1 217 . 1 . 1 50 50 GLY C C 13 173.532 0.05 . 1 . . . . . 50 GLY C . 19868 1 218 . 1 . 1 50 50 GLY CA C 13 45.026 0.1 . 1 . . . . . 50 GLY CA . 19868 1 219 . 1 . 1 50 50 GLY N N 15 108.115 0.05 . 1 . . . . . 50 GLY N . 19868 1 220 . 1 . 1 51 51 ASN H H 1 8.346 0.01 . 1 . . . . . 51 ASN H . 19868 1 221 . 1 . 1 51 51 ASN CA C 13 51.252 0.1 . 1 . . . . . 51 ASN CA . 19868 1 222 . 1 . 1 51 51 ASN N N 15 119.628 0.05 . 1 . . . . . 51 ASN N . 19868 1 223 . 1 . 1 75 75 ASP C C 13 176.607 0.05 . 1 . . . . . 75 ASP C . 19868 1 224 . 1 . 1 75 75 ASP CA C 13 54.803 0.1 . 1 . . . . . 75 ASP CA . 19868 1 225 . 1 . 1 75 75 ASP CB C 13 41.141 0.1 . 1 . . . . . 75 ASP CB . 19868 1 226 . 1 . 1 76 76 SER H H 1 8.255 0.01 . 1 . . . . . 76 SER H . 19868 1 227 . 1 . 1 76 76 SER C C 13 174.94 0.05 . 1 . . . . . 76 SER C . 19868 1 228 . 1 . 1 76 76 SER CA C 13 58.984 0.1 . 1 . . . . . 76 SER CA . 19868 1 229 . 1 . 1 76 76 SER CB C 13 63.721 0.1 . 1 . . . . . 76 SER CB . 19868 1 230 . 1 . 1 76 76 SER N N 15 115.884 0.05 . 1 . . . . . 76 SER N . 19868 1 231 . 1 . 1 77 77 GLU H H 1 8.388 0.01 . 1 . . . . . 77 GLU H . 19868 1 232 . 1 . 1 77 77 GLU C C 13 176.869 0.05 . 1 . . . . . 77 GLU C . 19868 1 233 . 1 . 1 77 77 GLU CA C 13 56.975 0.1 . 1 . . . . . 77 GLU CA . 19868 1 234 . 1 . 1 77 77 GLU CB C 13 29.976 0.1 . 1 . . . . . 77 GLU CB . 19868 1 235 . 1 . 1 77 77 GLU N N 15 122.29 0.05 . 1 . . . . . 77 GLU N . 19868 1 236 . 1 . 1 78 78 LYS H H 1 8.118 0.01 . 1 . . . . . 78 LYS H . 19868 1 237 . 1 . 1 78 78 LYS C C 13 176.892 0.05 . 1 . . . . . 78 LYS C . 19868 1 238 . 1 . 1 78 78 LYS CA C 13 56.685 0.1 . 1 . . . . . 78 LYS CA . 19868 1 239 . 1 . 1 78 78 LYS CB C 13 33.04 0.1 . 1 . . . . . 78 LYS CB . 19868 1 240 . 1 . 1 78 78 LYS N N 15 121.214 0.05 . 1 . . . . . 78 LYS N . 19868 1 241 . 1 . 1 79 79 GLU H H 1 8.338 0.01 . 1 . . . . . 79 GLU H . 19868 1 242 . 1 . 1 79 79 GLU C C 13 176.343 0.05 . 1 . . . . . 79 GLU C . 19868 1 243 . 1 . 1 79 79 GLU CA C 13 56.837 0.1 . 1 . . . . . 79 GLU CA . 19868 1 244 . 1 . 1 79 79 GLU CB C 13 30.191 0.1 . 1 . . . . . 79 GLU CB . 19868 1 245 . 1 . 1 79 79 GLU N N 15 120.905 0.05 . 1 . . . . . 79 GLU N . 19868 1 246 . 1 . 1 80 80 ASN H H 1 8.396 0.01 . 1 . . . . . 80 ASN H . 19868 1 247 . 1 . 1 80 80 ASN C C 13 174.956 0.05 . 1 . . . . . 80 ASN C . 19868 1 248 . 1 . 1 80 80 ASN CA C 13 53.323 0.1 . 1 . . . . . 80 ASN CA . 19868 1 249 . 1 . 1 80 80 ASN CB C 13 38.918 0.1 . 1 . . . . . 80 ASN CB . 19868 1 250 . 1 . 1 80 80 ASN N N 15 119.219 0.05 . 1 . . . . . 80 ASN N . 19868 1 251 . 1 . 1 81 81 GLN H H 1 8.261 0.01 . 1 . . . . . 81 GLN H . 19868 1 252 . 1 . 1 81 81 GLN C C 13 175.694 0.05 . 1 . . . . . 81 GLN C . 19868 1 253 . 1 . 1 81 81 GLN CA C 13 55.731 0.1 . 1 . . . . . 81 GLN CA . 19868 1 254 . 1 . 1 81 81 GLN CB C 13 29.556 0.1 . 1 . . . . . 81 GLN CB . 19868 1 255 . 1 . 1 81 81 GLN N N 15 120.578 0.05 . 1 . . . . . 81 GLN N . 19868 1 256 . 1 . 1 82 82 ILE H H 1 8.283 0.01 . 1 . . . . . 82 ILE H . 19868 1 257 . 1 . 1 82 82 ILE CA C 13 58.827 0.1 . 1 . . . . . 82 ILE CA . 19868 1 258 . 1 . 1 82 82 ILE N N 15 124.042 0.05 . 1 . . . . . 82 ILE N . 19868 1 259 . 1 . 1 83 83 PRO C C 13 177.079 0.05 . 1 . . . . . 83 PRO C . 19868 1 260 . 1 . 1 83 83 PRO CA C 13 63.446 0.1 . 1 . . . . . 83 PRO CA . 19868 1 261 . 1 . 1 83 83 PRO CB C 13 32.163 0.1 . 1 . . . . . 83 PRO CB . 19868 1 262 . 1 . 1 84 84 GLU H H 1 8.564 0.01 . 1 . . . . . 84 GLU H . 19868 1 263 . 1 . 1 84 84 GLU C C 13 176.797 0.05 . 1 . . . . . 84 GLU C . 19868 1 264 . 1 . 1 84 84 GLU CA C 13 56.989 0.1 . 1 . . . . . 84 GLU CA . 19868 1 265 . 1 . 1 84 84 GLU CB C 13 30.325 0.1 . 1 . . . . . 84 GLU CB . 19868 1 266 . 1 . 1 84 84 GLU N N 15 121.298 0.05 . 1 . . . . . 84 GLU N . 19868 1 267 . 1 . 1 85 85 GLU H H 1 8.46 0.01 . 1 . . . . . 85 GLU H . 19868 1 268 . 1 . 1 85 85 GLU C C 13 176.44 0.05 . 1 . . . . . 85 GLU C . 19868 1 269 . 1 . 1 85 85 GLU CA C 13 56.535 0.1 . 1 . . . . . 85 GLU CA . 19868 1 270 . 1 . 1 85 85 GLU CB C 13 30.276 0.1 . 1 . . . . . 85 GLU CB . 19868 1 271 . 1 . 1 85 85 GLU N N 15 121.842 0.05 . 1 . . . . . 85 GLU N . 19868 1 272 . 1 . 1 86 86 ALA H H 1 8.385 0.01 . 1 . . . . . 86 ALA H . 19868 1 273 . 1 . 1 86 86 ALA C C 13 178.52 0.05 . 1 . . . . . 86 ALA C . 19868 1 274 . 1 . 1 86 86 ALA CA C 13 52.782 0.1 . 1 . . . . . 86 ALA CA . 19868 1 275 . 1 . 1 86 86 ALA CB C 13 19.169 0.1 . 1 . . . . . 86 ALA CB . 19868 1 276 . 1 . 1 86 86 ALA N N 15 125.42 0.05 . 1 . . . . . 86 ALA N . 19868 1 277 . 1 . 1 87 87 GLY H H 1 8.43 0.01 . 1 . . . . . 87 GLY H . 19868 1 278 . 1 . 1 87 87 GLY C C 13 174.662 0.05 . 1 . . . . . 87 GLY C . 19868 1 279 . 1 . 1 87 87 GLY CA C 13 45.54 0.1 . 1 . . . . . 87 GLY CA . 19868 1 280 . 1 . 1 87 87 GLY N N 15 108.087 0.05 . 1 . . . . . 87 GLY N . 19868 1 281 . 1 . 1 88 88 SER H H 1 8.23 0.01 . 1 . . . . . 88 SER H . 19868 1 282 . 1 . 1 88 88 SER C C 13 175.084 0.05 . 1 . . . . . 88 SER C . 19868 1 283 . 1 . 1 88 88 SER CA C 13 58.598 0.1 . 1 . . . . . 88 SER CA . 19868 1 284 . 1 . 1 88 88 SER CB C 13 63.915 0.1 . 1 . . . . . 88 SER CB . 19868 1 285 . 1 . 1 88 88 SER N N 15 115.526 0.05 . 1 . . . . . 88 SER N . 19868 1 286 . 1 . 1 89 89 SER H H 1 8.435 0.01 . 1 . . . . . 89 SER H . 19868 1 287 . 1 . 1 89 89 SER C C 13 175.209 0.05 . 1 . . . . . 89 SER C . 19868 1 288 . 1 . 1 89 89 SER CA C 13 58.855 0.1 . 1 . . . . . 89 SER CA . 19868 1 289 . 1 . 1 89 89 SER CB C 13 63.848 0.1 . 1 . . . . . 89 SER CB . 19868 1 290 . 1 . 1 89 89 SER N N 15 117.624 0.05 . 1 . . . . . 89 SER N . 19868 1 291 . 1 . 1 90 90 GLY H H 1 8.427 0.01 . 1 . . . . . 90 GLY H . 19868 1 292 . 1 . 1 90 90 GLY C C 13 174.421 0.05 . 1 . . . . . 90 GLY C . 19868 1 293 . 1 . 1 90 90 GLY CA C 13 45.577 0.1 . 1 . . . . . 90 GLY CA . 19868 1 294 . 1 . 1 90 90 GLY N N 15 110.568 0.05 . 1 . . . . . 90 GLY N . 19868 1 295 . 1 . 1 91 91 LEU H H 1 8.131 0.01 . 1 . . . . . 91 LEU H . 19868 1 296 . 1 . 1 91 91 LEU C C 13 178.186 0.05 . 1 . . . . . 91 LEU C . 19868 1 297 . 1 . 1 91 91 LEU CA C 13 55.557 0.1 . 1 . . . . . 91 LEU CA . 19868 1 298 . 1 . 1 91 91 LEU CB C 13 42.372 0.1 . 1 . . . . . 91 LEU CB . 19868 1 299 . 1 . 1 91 91 LEU N N 15 121.551 0.05 . 1 . . . . . 91 LEU N . 19868 1 300 . 1 . 1 92 92 GLY H H 1 8.491 0.01 . 1 . . . . . 92 GLY H . 19868 1 301 . 1 . 1 92 92 GLY C C 13 174.44 0.05 . 1 . . . . . 92 GLY C . 19868 1 302 . 1 . 1 92 92 GLY CA C 13 45.608 0.1 . 1 . . . . . 92 GLY CA . 19868 1 303 . 1 . 1 92 92 GLY N N 15 109.476 0.05 . 1 . . . . . 92 GLY N . 19868 1 304 . 1 . 1 93 93 LYS H H 1 8.113 0.01 . 1 . . . . . 93 LYS H . 19868 1 305 . 1 . 1 93 93 LYS C C 13 176.615 0.05 . 1 . . . . . 93 LYS C . 19868 1 306 . 1 . 1 93 93 LYS CA C 13 56.418 0.1 . 1 . . . . . 93 LYS CA . 19868 1 307 . 1 . 1 93 93 LYS CB C 13 33.074 0.1 . 1 . . . . . 93 LYS CB . 19868 1 308 . 1 . 1 93 93 LYS N N 15 120.779 0.05 . 1 . . . . . 93 LYS N . 19868 1 309 . 1 . 1 94 94 ALA H H 1 8.26 0.01 . 1 . . . . . 94 ALA H . 19868 1 310 . 1 . 1 94 94 ALA C C 13 177.794 0.05 . 1 . . . . . 94 ALA C . 19868 1 311 . 1 . 1 94 94 ALA CA C 13 52.649 0.1 . 1 . . . . . 94 ALA CA . 19868 1 312 . 1 . 1 94 94 ALA CB C 13 19.26 0.1 . 1 . . . . . 94 ALA CB . 19868 1 313 . 1 . 1 94 94 ALA N N 15 124.476 0.05 . 1 . . . . . 94 ALA N . 19868 1 314 . 1 . 1 95 95 LYS H H 1 8.257 0.01 . 1 . . . . . 95 LYS H . 19868 1 315 . 1 . 1 95 95 LYS C C 13 176.64 0.05 . 1 . . . . . 95 LYS C . 19868 1 316 . 1 . 1 95 95 LYS CA C 13 56.384 0.1 . 1 . . . . . 95 LYS CA . 19868 1 317 . 1 . 1 95 95 LYS CB C 13 33.125 0.1 . 1 . . . . . 95 LYS CB . 19868 1 318 . 1 . 1 95 95 LYS N N 15 120.7 0.05 . 1 . . . . . 95 LYS N . 19868 1 319 . 1 . 1 96 96 ARG H H 1 8.295 0.01 . 1 . . . . . 96 ARG H . 19868 1 320 . 1 . 1 96 96 ARG C C 13 176.234 0.05 . 1 . . . . . 96 ARG C . 19868 1 321 . 1 . 1 96 96 ARG CA C 13 56.21 0.1 . 1 . . . . . 96 ARG CA . 19868 1 322 . 1 . 1 96 96 ARG CB C 13 31.012 0.1 . 1 . . . . . 96 ARG CB . 19868 1 323 . 1 . 1 96 96 ARG N N 15 122.33 0.05 . 1 . . . . . 96 ARG N . 19868 1 324 . 1 . 1 97 97 LYS H H 1 8.398 0.01 . 1 . . . . . 97 LYS H . 19868 1 325 . 1 . 1 97 97 LYS C C 13 176.11 0.05 . 1 . . . . . 97 LYS C . 19868 1 326 . 1 . 1 97 97 LYS CA C 13 56.248 0.1 . 1 . . . . . 97 LYS CA . 19868 1 327 . 1 . 1 97 97 LYS CB C 13 33.112 0.1 . 1 . . . . . 97 LYS CB . 19868 1 328 . 1 . 1 97 97 LYS N N 15 123.452 0.05 . 1 . . . . . 97 LYS N . 19868 1 329 . 1 . 1 98 98 ALA H H 1 8.385 0.01 . 1 . . . . . 98 ALA H . 19868 1 330 . 1 . 1 98 98 ALA C C 13 177.244 0.05 . 1 . . . . . 98 ALA C . 19868 1 331 . 1 . 1 98 98 ALA CA C 13 52.958 0.1 . 1 . . . . . 98 ALA CA . 19868 1 332 . 1 . 1 98 98 ALA CB C 13 19.347 0.1 . 1 . . . . . 98 ALA CB . 19868 1 333 . 1 . 1 98 98 ALA N N 15 125.449 0.05 . 1 . . . . . 98 ALA N . 19868 1 334 . 1 . 1 99 99 CYS H H 1 8.378 0.01 . 1 . . . . . 99 CYS H . 19868 1 335 . 1 . 1 99 99 CYS CA C 13 56.503 0.1 . 1 . . . . . 99 CYS CA . 19868 1 336 . 1 . 1 99 99 CYS N N 15 120.545 0.05 . 1 . . . . . 99 CYS N . 19868 1 337 . 1 . 1 100 100 PRO C C 13 176.68 0.05 . 1 . . . . . 100 PRO C . 19868 1 338 . 1 . 1 100 100 PRO CA C 13 63.27 0.1 . 1 . . . . . 100 PRO CA . 19868 1 339 . 1 . 1 100 100 PRO CB C 13 32.122 0.1 . 1 . . . . . 100 PRO CB . 19868 1 340 . 1 . 1 101 101 LEU H H 1 8.289 0.01 . 1 . . . . . 101 LEU H . 19868 1 341 . 1 . 1 101 101 LEU C C 13 177.149 0.05 . 1 . . . . . 101 LEU C . 19868 1 342 . 1 . 1 101 101 LEU CA C 13 55.277 0.1 . 1 . . . . . 101 LEU CA . 19868 1 343 . 1 . 1 101 101 LEU CB C 13 42.318 0.1 . 1 . . . . . 101 LEU CB . 19868 1 344 . 1 . 1 101 101 LEU N N 15 121.913 0.05 . 1 . . . . . 101 LEU N . 19868 1 345 . 1 . 1 102 102 GLN H H 1 8.302 0.01 . 1 . . . . . 102 GLN H . 19868 1 346 . 1 . 1 102 102 GLN CA C 13 53.419 0.1 . 1 . . . . . 102 GLN CA . 19868 1 347 . 1 . 1 102 102 GLN N N 15 121.799 0.05 . 1 . . . . . 102 GLN N . 19868 1 348 . 1 . 1 103 103 PRO C C 13 176.395 0.05 . 1 . . . . . 103 PRO C . 19868 1 349 . 1 . 1 103 103 PRO CA C 13 63.233 0.1 . 1 . . . . . 103 PRO CA . 19868 1 350 . 1 . 1 103 103 PRO CB C 13 32.176 0.1 . 1 . . . . . 103 PRO CB . 19868 1 351 . 1 . 1 104 104 ASP H H 1 8.425 0.01 . 1 . . . . . 104 ASP H . 19868 1 352 . 1 . 1 104 104 ASP C C 13 176.19 0.05 . 1 . . . . . 104 ASP C . 19868 1 353 . 1 . 1 104 104 ASP CA C 13 54.218 0.1 . 1 . . . . . 104 ASP CA . 19868 1 354 . 1 . 1 104 104 ASP CB C 13 41.202 0.1 . 1 . . . . . 104 ASP CB . 19868 1 355 . 1 . 1 104 104 ASP N N 15 120.074 0.05 . 1 . . . . . 104 ASP N . 19868 1 356 . 1 . 1 105 105 HIS H H 1 8.418 0.01 . 1 . . . . . 105 HIS H . 19868 1 357 . 1 . 1 105 105 HIS C C 13 175.054 0.05 . 1 . . . . . 105 HIS C . 19868 1 358 . 1 . 1 105 105 HIS CA C 13 55.661 0.1 . 1 . . . . . 105 HIS CA . 19868 1 359 . 1 . 1 105 105 HIS CB C 13 29.346 0.1 . 1 . . . . . 105 HIS CB . 19868 1 360 . 1 . 1 105 105 HIS N N 15 119.181 0.05 . 1 . . . . . 105 HIS N . 19868 1 361 . 1 . 1 106 106 THR H H 1 8.315 0.01 . 1 . . . . . 106 THR H . 19868 1 362 . 1 . 1 106 106 THR C C 13 174.573 0.05 . 1 . . . . . 106 THR C . 19868 1 363 . 1 . 1 106 106 THR CA C 13 62.663 0.1 . 1 . . . . . 106 THR CA . 19868 1 364 . 1 . 1 106 106 THR CB C 13 69.777 0.1 . 1 . . . . . 106 THR CB . 19868 1 365 . 1 . 1 106 106 THR N N 15 115.408 0.05 . 1 . . . . . 106 THR N . 19868 1 366 . 1 . 1 107 107 ASN H H 1 8.536 0.01 . 1 . . . . . 107 ASN H . 19868 1 367 . 1 . 1 107 107 ASN C C 13 174.928 0.05 . 1 . . . . . 107 ASN C . 19868 1 368 . 1 . 1 107 107 ASN CA C 13 53.398 0.1 . 1 . . . . . 107 ASN CA . 19868 1 369 . 1 . 1 107 107 ASN CB C 13 39.042 0.1 . 1 . . . . . 107 ASN CB . 19868 1 370 . 1 . 1 107 107 ASN N N 15 120.376 0.05 . 1 . . . . . 107 ASN N . 19868 1 371 . 1 . 1 108 108 ASP H H 1 8.238 0.01 . 1 . . . . . 108 ASP H . 19868 1 372 . 1 . 1 108 108 ASP C C 13 176.21 0.05 . 1 . . . . . 108 ASP C . 19868 1 373 . 1 . 1 108 108 ASP CA C 13 54.656 0.1 . 1 . . . . . 108 ASP CA . 19868 1 374 . 1 . 1 108 108 ASP CB C 13 41.123 0.1 . 1 . . . . . 108 ASP CB . 19868 1 375 . 1 . 1 108 108 ASP N N 15 120.868 0.05 . 1 . . . . . 108 ASP N . 19868 1 376 . 1 . 1 109 109 GLU H H 1 8.321 0.01 . 1 . . . . . 109 GLU H . 19868 1 377 . 1 . 1 109 109 GLU C C 13 176.345 0.05 . 1 . . . . . 109 GLU C . 19868 1 378 . 1 . 1 109 109 GLU CA C 13 56.685 0.1 . 1 . . . . . 109 GLU CA . 19868 1 379 . 1 . 1 109 109 GLU CB C 13 30.155 0.1 . 1 . . . . . 109 GLU CB . 19868 1 380 . 1 . 1 109 109 GLU N N 15 120.839 0.05 . 1 . . . . . 109 GLU N . 19868 1 381 . 1 . 1 110 110 LYS H H 1 8.287 0.01 . 1 . . . . . 110 LYS H . 19868 1 382 . 1 . 1 110 110 LYS C C 13 175.696 0.05 . 1 . . . . . 110 LYS C . 19868 1 383 . 1 . 1 110 110 LYS CA C 13 56.21 0.1 . 1 . . . . . 110 LYS CA . 19868 1 384 . 1 . 1 110 110 LYS CB C 13 33.201 0.1 . 1 . . . . . 110 LYS CB . 19868 1 385 . 1 . 1 110 110 LYS N N 15 122.509 0.05 . 1 . . . . . 110 LYS N . 19868 1 386 . 1 . 1 111 111 GLU H H 1 8.026 0.01 . 1 . . . . . 111 GLU H . 19868 1 387 . 1 . 1 111 111 GLU CA C 13 58.114 0.1 . 1 . . . . . 111 GLU CA . 19868 1 388 . 1 . 1 111 111 GLU N N 15 127.169 0.05 . 1 . . . . . 111 GLU N . 19868 1 stop_ save_