data_25339 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25339 _Entry.Title ; Backbone amide assignments for human Cyclophilin C with saturating concentrations of the model peptide GSFGPDLRAGD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-13 _Entry.Accession_date 2014-11-13 _Entry.Last_release_date 2015-08-21 _Entry.Original_release_date 2015-08-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . 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 Michael Holliday . J. . . 25339 2 Carlo Camilloni . . . . 25339 3 Geoffrey Armstrong . S. . . 25339 4 Nancy Isern . G. . . 25339 5 Fengli Zhang . . . . 25339 6 Michele Vendruscolo . . . . 25339 7 Elan Eisenmesser . Z. . . 25339 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25339 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry, School of Medicine, University of Colorado Denver' . 25339 2 . 'Wiley Environmental Molecular Sciences Laboratory, High Field NMR Facility' . 25339 3 . 'Department of Chemistry and Biochemistry, University of Colorado Boulder' . 25339 4 . 'National High Magnetic Field Laboratory' . 25339 5 . 'Depatment of Chemistry, Cambridge' . 25339 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cyclophilin C' . 25339 CypC . 25339 PPIase . 25339 cyclophilin . 25339 isomerase . 25339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25339 spectral_peak_list 2 25339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 175 25339 '1H chemical shifts' 175 25339 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 2 . . 2015-08-21 2014-11-13 update BMRB 'update entry citation' 25339 1 . . 2014-12-16 2014-11-13 original author 'original release' 25339 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25336 GeoCyp+peptide 25339 BMRB 25337 CypA+peptide 25339 BMRB 25338 CypB+peptide 25339 BMRB 25340 CypD+peptide 25339 BMRB 25341 CypC 25339 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25339 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25923019 _Citation.Full_citation . _Citation.Title ; Structure and Dynamics of GeoCyp: A Thermophilic Cyclophilin with a Novel Substrate Binding Mechanism That Functions Efficiently at Low Temperatures ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 20 _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 3207 _Citation.Page_last 3217 _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 Michael Holliday . J. . . 25339 1 2 Carlo Camilloni . . . . 25339 1 3 Geoffrey Armstrong . S. . . 25339 1 4 Nancy Isern . G. . . 25339 1 5 Fengli Zhang . . . . 25339 1 6 Michele Vendruscolo . . . . 25339 1 7 Elan Eisenmesser . Z. . . 25339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25339 _Assembly.ID 1 _Assembly.Name CypC+peptide _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Human Cyclophilin C bound to a model peptide substrate' _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 CypC 1 $CypC A . yes native no no . Enzyme . 25339 1 2 GSFGPDLRAGD 2 $GSFGPDLRAGD A . no native no no . Substrate . 25339 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 yes PDB 2ESL . . X-ray . 'CypC bound to Cyclosporine A' . 25339 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Peptodyl-Prolyl Isomerization' 25339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CypC _Entity.Sf_category entity _Entity.Sf_framecode CypC _Entity.Entry_ID 25339 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CypC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGAEGFRKRGPSVTAKVFF DVRIGDKDVGRIVIGLFGKV VPKTVENFVALATGEKGYGY KGSKFHRVIKDFMIQGGDIT TGDGTGGVSIYGETFPDENF KLKHYGIGWVSMANAGPDTN GSQFFITLTKPTWLDGKHVV FGKVIDGMTVVHSIELQATD GHDRPLTNCSIINSGKIDVK TPFVVEIADW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 25-212 of human Cyclophilin C with two additional N-terminal residues, Gly-Ser-, remaining after removal of affinity tag ; _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 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20515.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 25341 . CypC . . . . . 100.00 190 100.00 100.00 5.79e-132 . . . . 25339 1 2 no PDB 2ESL . 'Human Cyclophilin C In Complex With Cyclosporin A' . . . . . 100.00 190 100.00 100.00 5.79e-132 . . . . 25339 1 3 no DBJ BAF83010 . 'unnamed protein product [Homo sapiens]' . . . . . 99.47 212 98.94 99.47 3.71e-130 . . . . 25339 1 4 no GB AAB31350 . 'cyclophilin C [Homo sapiens]' . . . . . 99.47 212 100.00 100.00 3.42e-131 . . . . 25339 1 5 no GB AAH02678 . 'Peptidylprolyl isomerase C (cyclophilin C) [Homo sapiens]' . . . . . 99.47 212 100.00 100.00 3.42e-131 . . . . 25339 1 6 no GB ABO43038 . 'peptidylprolyl isomerase C (cyclophilin C) [Homo sapiens]' . . . . . 99.47 212 100.00 100.00 3.42e-131 . . . . 25339 1 7 no GB ADQ32383 . 'peptidylprolyl isomerase C (cyclophilin C) [synthetic construct]' . . . . . 99.47 212 100.00 100.00 3.42e-131 . . . . 25339 1 8 no GB EAW48878 . 'peptidylprolyl isomerase C (cyclophilin C), isoform CRA_a [Homo sapiens]' . . . . . 99.47 212 100.00 100.00 3.42e-131 . . . . 25339 1 9 no REF NP_000934 . 'peptidyl-prolyl cis-trans isomerase C precursor [Homo sapiens]' . . . . . 99.47 212 100.00 100.00 3.42e-131 . . . . 25339 1 10 no REF NP_001180902 . 'peptidyl-prolyl cis-trans isomerase C precursor [Macaca mulatta]' . . . . . 99.47 212 97.35 98.94 8.54e-129 . . . . 25339 1 11 no REF XP_002815869 . 'PREDICTED: peptidyl-prolyl cis-trans isomerase C [Pongo abelii]' . . . . . 99.47 212 97.35 98.94 4.63e-129 . . . . 25339 1 12 no REF XP_003310839 . 'PREDICTED: peptidyl-prolyl cis-trans isomerase C [Pan troglodytes]' . . . . . 99.47 212 97.88 99.47 8.41e-130 . . . . 25339 1 13 no REF XP_003826742 . 'PREDICTED: peptidyl-prolyl cis-trans isomerase C [Pan paniscus]' . . . . . 99.47 212 97.88 99.47 8.41e-130 . . . . 25339 1 14 no SP P45877 . ; RecName: Full=Peptidyl-prolyl cis-trans isomerase C; Short=PPIase C; AltName: Full=Cyclophilin C; AltName: Full=Rotamase C ; . . . . . 99.47 212 100.00 100.00 3.42e-131 . . . . 25339 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 23 GLY . 25339 1 2 24 SER . 25339 1 3 25 GLY . 25339 1 4 26 ALA . 25339 1 5 27 GLU . 25339 1 6 28 GLY . 25339 1 7 29 PHE . 25339 1 8 30 ARG . 25339 1 9 31 LYS . 25339 1 10 32 ARG . 25339 1 11 33 GLY . 25339 1 12 34 PRO . 25339 1 13 35 SER . 25339 1 14 36 VAL . 25339 1 15 37 THR . 25339 1 16 38 ALA . 25339 1 17 39 LYS . 25339 1 18 40 VAL . 25339 1 19 41 PHE . 25339 1 20 42 PHE . 25339 1 21 43 ASP . 25339 1 22 44 VAL . 25339 1 23 45 ARG . 25339 1 24 46 ILE . 25339 1 25 47 GLY . 25339 1 26 48 ASP . 25339 1 27 49 LYS . 25339 1 28 50 ASP . 25339 1 29 51 VAL . 25339 1 30 52 GLY . 25339 1 31 53 ARG . 25339 1 32 54 ILE . 25339 1 33 55 VAL . 25339 1 34 56 ILE . 25339 1 35 57 GLY . 25339 1 36 58 LEU . 25339 1 37 59 PHE . 25339 1 38 60 GLY . 25339 1 39 61 LYS . 25339 1 40 62 VAL . 25339 1 41 63 VAL . 25339 1 42 64 PRO . 25339 1 43 65 LYS . 25339 1 44 66 THR . 25339 1 45 67 VAL . 25339 1 46 68 GLU . 25339 1 47 69 ASN . 25339 1 48 70 PHE . 25339 1 49 71 VAL . 25339 1 50 72 ALA . 25339 1 51 73 LEU . 25339 1 52 74 ALA . 25339 1 53 75 THR . 25339 1 54 76 GLY . 25339 1 55 77 GLU . 25339 1 56 78 LYS . 25339 1 57 79 GLY . 25339 1 58 80 TYR . 25339 1 59 81 GLY . 25339 1 60 82 TYR . 25339 1 61 83 LYS . 25339 1 62 84 GLY . 25339 1 63 85 SER . 25339 1 64 86 LYS . 25339 1 65 87 PHE . 25339 1 66 88 HIS . 25339 1 67 89 ARG . 25339 1 68 90 VAL . 25339 1 69 91 ILE . 25339 1 70 92 LYS . 25339 1 71 93 ASP . 25339 1 72 94 PHE . 25339 1 73 95 MET . 25339 1 74 96 ILE . 25339 1 75 97 GLN . 25339 1 76 98 GLY . 25339 1 77 99 GLY . 25339 1 78 100 ASP . 25339 1 79 101 ILE . 25339 1 80 102 THR . 25339 1 81 103 THR . 25339 1 82 104 GLY . 25339 1 83 105 ASP . 25339 1 84 106 GLY . 25339 1 85 107 THR . 25339 1 86 108 GLY . 25339 1 87 109 GLY . 25339 1 88 110 VAL . 25339 1 89 111 SER . 25339 1 90 112 ILE . 25339 1 91 113 TYR . 25339 1 92 114 GLY . 25339 1 93 115 GLU . 25339 1 94 116 THR . 25339 1 95 117 PHE . 25339 1 96 118 PRO . 25339 1 97 119 ASP . 25339 1 98 120 GLU . 25339 1 99 121 ASN . 25339 1 100 122 PHE . 25339 1 101 123 LYS . 25339 1 102 124 LEU . 25339 1 103 125 LYS . 25339 1 104 126 HIS . 25339 1 105 127 TYR . 25339 1 106 128 GLY . 25339 1 107 129 ILE . 25339 1 108 130 GLY . 25339 1 109 131 TRP . 25339 1 110 132 VAL . 25339 1 111 133 SER . 25339 1 112 134 MET . 25339 1 113 135 ALA . 25339 1 114 136 ASN . 25339 1 115 137 ALA . 25339 1 116 138 GLY . 25339 1 117 139 PRO . 25339 1 118 140 ASP . 25339 1 119 141 THR . 25339 1 120 142 ASN . 25339 1 121 143 GLY . 25339 1 122 144 SER . 25339 1 123 145 GLN . 25339 1 124 146 PHE . 25339 1 125 147 PHE . 25339 1 126 148 ILE . 25339 1 127 149 THR . 25339 1 128 150 LEU . 25339 1 129 151 THR . 25339 1 130 152 LYS . 25339 1 131 153 PRO . 25339 1 132 154 THR . 25339 1 133 155 TRP . 25339 1 134 156 LEU . 25339 1 135 157 ASP . 25339 1 136 158 GLY . 25339 1 137 159 LYS . 25339 1 138 160 HIS . 25339 1 139 161 VAL . 25339 1 140 162 VAL . 25339 1 141 163 PHE . 25339 1 142 164 GLY . 25339 1 143 165 LYS . 25339 1 144 166 VAL . 25339 1 145 167 ILE . 25339 1 146 168 ASP . 25339 1 147 169 GLY . 25339 1 148 170 MET . 25339 1 149 171 THR . 25339 1 150 172 VAL . 25339 1 151 173 VAL . 25339 1 152 174 HIS . 25339 1 153 175 SER . 25339 1 154 176 ILE . 25339 1 155 177 GLU . 25339 1 156 178 LEU . 25339 1 157 179 GLN . 25339 1 158 180 ALA . 25339 1 159 181 THR . 25339 1 160 182 ASP . 25339 1 161 183 GLY . 25339 1 162 184 HIS . 25339 1 163 185 ASP . 25339 1 164 186 ARG . 25339 1 165 187 PRO . 25339 1 166 188 LEU . 25339 1 167 189 THR . 25339 1 168 190 ASN . 25339 1 169 191 CYS . 25339 1 170 192 SER . 25339 1 171 193 ILE . 25339 1 172 194 ILE . 25339 1 173 195 ASN . 25339 1 174 196 SER . 25339 1 175 197 GLY . 25339 1 176 198 LYS . 25339 1 177 199 ILE . 25339 1 178 200 ASP . 25339 1 179 201 VAL . 25339 1 180 202 LYS . 25339 1 181 203 THR . 25339 1 182 204 PRO . 25339 1 183 205 PHE . 25339 1 184 206 VAL . 25339 1 185 207 VAL . 25339 1 186 208 GLU . 25339 1 187 209 ILE . 25339 1 188 210 ALA . 25339 1 189 211 ASP . 25339 1 190 212 TRP . 25339 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 . GLY 1 1 25339 1 . SER 2 2 25339 1 . GLY 3 3 25339 1 . ALA 4 4 25339 1 . GLU 5 5 25339 1 . GLY 6 6 25339 1 . PHE 7 7 25339 1 . ARG 8 8 25339 1 . LYS 9 9 25339 1 . ARG 10 10 25339 1 . GLY 11 11 25339 1 . PRO 12 12 25339 1 . SER 13 13 25339 1 . VAL 14 14 25339 1 . THR 15 15 25339 1 . ALA 16 16 25339 1 . LYS 17 17 25339 1 . VAL 18 18 25339 1 . PHE 19 19 25339 1 . PHE 20 20 25339 1 . ASP 21 21 25339 1 . VAL 22 22 25339 1 . ARG 23 23 25339 1 . ILE 24 24 25339 1 . GLY 25 25 25339 1 . ASP 26 26 25339 1 . LYS 27 27 25339 1 . ASP 28 28 25339 1 . VAL 29 29 25339 1 . GLY 30 30 25339 1 . ARG 31 31 25339 1 . ILE 32 32 25339 1 . VAL 33 33 25339 1 . ILE 34 34 25339 1 . GLY 35 35 25339 1 . LEU 36 36 25339 1 . PHE 37 37 25339 1 . GLY 38 38 25339 1 . LYS 39 39 25339 1 . VAL 40 40 25339 1 . VAL 41 41 25339 1 . PRO 42 42 25339 1 . LYS 43 43 25339 1 . THR 44 44 25339 1 . VAL 45 45 25339 1 . GLU 46 46 25339 1 . ASN 47 47 25339 1 . PHE 48 48 25339 1 . VAL 49 49 25339 1 . ALA 50 50 25339 1 . LEU 51 51 25339 1 . ALA 52 52 25339 1 . THR 53 53 25339 1 . GLY 54 54 25339 1 . GLU 55 55 25339 1 . LYS 56 56 25339 1 . GLY 57 57 25339 1 . TYR 58 58 25339 1 . GLY 59 59 25339 1 . TYR 60 60 25339 1 . LYS 61 61 25339 1 . GLY 62 62 25339 1 . SER 63 63 25339 1 . LYS 64 64 25339 1 . PHE 65 65 25339 1 . HIS 66 66 25339 1 . ARG 67 67 25339 1 . VAL 68 68 25339 1 . ILE 69 69 25339 1 . LYS 70 70 25339 1 . ASP 71 71 25339 1 . PHE 72 72 25339 1 . MET 73 73 25339 1 . ILE 74 74 25339 1 . GLN 75 75 25339 1 . GLY 76 76 25339 1 . GLY 77 77 25339 1 . ASP 78 78 25339 1 . ILE 79 79 25339 1 . THR 80 80 25339 1 . THR 81 81 25339 1 . GLY 82 82 25339 1 . ASP 83 83 25339 1 . GLY 84 84 25339 1 . THR 85 85 25339 1 . GLY 86 86 25339 1 . GLY 87 87 25339 1 . VAL 88 88 25339 1 . SER 89 89 25339 1 . ILE 90 90 25339 1 . TYR 91 91 25339 1 . GLY 92 92 25339 1 . GLU 93 93 25339 1 . THR 94 94 25339 1 . PHE 95 95 25339 1 . PRO 96 96 25339 1 . ASP 97 97 25339 1 . GLU 98 98 25339 1 . ASN 99 99 25339 1 . PHE 100 100 25339 1 . LYS 101 101 25339 1 . LEU 102 102 25339 1 . LYS 103 103 25339 1 . HIS 104 104 25339 1 . TYR 105 105 25339 1 . GLY 106 106 25339 1 . ILE 107 107 25339 1 . GLY 108 108 25339 1 . TRP 109 109 25339 1 . VAL 110 110 25339 1 . SER 111 111 25339 1 . MET 112 112 25339 1 . ALA 113 113 25339 1 . ASN 114 114 25339 1 . ALA 115 115 25339 1 . GLY 116 116 25339 1 . PRO 117 117 25339 1 . ASP 118 118 25339 1 . THR 119 119 25339 1 . ASN 120 120 25339 1 . GLY 121 121 25339 1 . SER 122 122 25339 1 . GLN 123 123 25339 1 . PHE 124 124 25339 1 . PHE 125 125 25339 1 . ILE 126 126 25339 1 . THR 127 127 25339 1 . LEU 128 128 25339 1 . THR 129 129 25339 1 . LYS 130 130 25339 1 . PRO 131 131 25339 1 . THR 132 132 25339 1 . TRP 133 133 25339 1 . LEU 134 134 25339 1 . ASP 135 135 25339 1 . GLY 136 136 25339 1 . LYS 137 137 25339 1 . HIS 138 138 25339 1 . VAL 139 139 25339 1 . VAL 140 140 25339 1 . PHE 141 141 25339 1 . GLY 142 142 25339 1 . LYS 143 143 25339 1 . VAL 144 144 25339 1 . ILE 145 145 25339 1 . ASP 146 146 25339 1 . GLY 147 147 25339 1 . MET 148 148 25339 1 . THR 149 149 25339 1 . VAL 150 150 25339 1 . VAL 151 151 25339 1 . HIS 152 152 25339 1 . SER 153 153 25339 1 . ILE 154 154 25339 1 . GLU 155 155 25339 1 . LEU 156 156 25339 1 . GLN 157 157 25339 1 . ALA 158 158 25339 1 . THR 159 159 25339 1 . ASP 160 160 25339 1 . GLY 161 161 25339 1 . HIS 162 162 25339 1 . ASP 163 163 25339 1 . ARG 164 164 25339 1 . PRO 165 165 25339 1 . LEU 166 166 25339 1 . THR 167 167 25339 1 . ASN 168 168 25339 1 . CYS 169 169 25339 1 . SER 170 170 25339 1 . ILE 171 171 25339 1 . ILE 172 172 25339 1 . ASN 173 173 25339 1 . SER 174 174 25339 1 . GLY 175 175 25339 1 . LYS 176 176 25339 1 . ILE 177 177 25339 1 . ASP 178 178 25339 1 . VAL 179 179 25339 1 . LYS 180 180 25339 1 . THR 181 181 25339 1 . PRO 182 182 25339 1 . PHE 183 183 25339 1 . VAL 184 184 25339 1 . VAL 185 185 25339 1 . GLU 186 186 25339 1 . ILE 187 187 25339 1 . ALA 188 188 25339 1 . ASP 189 189 25339 1 . TRP 190 190 25339 1 stop_ save_ save_GSFGPDLRAGD _Entity.Sf_category entity _Entity.Sf_framecode GSFGPDLRAGD _Entity.Entry_ID 25339 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GSFGPDLRAGD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSFGPDLRAGD ; _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 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25339 2 2 . SER . 25339 2 3 . PHE . 25339 2 4 . GLY . 25339 2 5 . PRO . 25339 2 6 . ASP . 25339 2 7 . LEU . 25339 2 8 . ARG . 25339 2 9 . ALA . 25339 2 10 . GLY . 25339 2 11 . ASP . 25339 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 25339 2 . SER 2 2 25339 2 . PHE 3 3 25339 2 . GLY 4 4 25339 2 . PRO 5 5 25339 2 . ASP 6 6 25339 2 . LEU 7 7 25339 2 . ARG 8 8 25339 2 . ALA 9 9 25339 2 . GLY 10 10 25339 2 . ASP 11 11 25339 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 25339 _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 $CypC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . PPIC . 25339 1 2 2 $GSFGPDLRAGD . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25339 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 25339 _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 $CypC . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 DE3 . . . . pET-28 . . . 25339 1 2 2 $GSFGPDLRAGD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET-30 . . . 25339 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CypC-GSFGPDLRAGD _Sample.Sf_category sample _Sample.Sf_framecode CypC-GSFGPDLRAGD _Sample.Entry_ID 25339 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 CypC '[U-13C; U-15N; U-2H]' . . 1 $CypC . . 1 . . mM . . . . 25339 1 2 GSFGPDLRAGD 'natural abundance' . . 2 $GSFGPDLRAGD . . 6 . . mM . . . . 25339 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25339 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25339 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25339 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25339 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25339 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 25339 _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 'ionic strength' 0.05 . M 25339 1 pH 6.5 . pH 25339 1 pressure 1 . atm 25339 1 temperature 283 . K 25339 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25339 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25339 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25339 1 'peak picking' 25339 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 25339 _Software.ID 2 _Software.Type . _Software.Name nmrPipe _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25339 2 Varian . . 25339 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 25339 2 collection 25339 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 25339 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25339 _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 spectrometer_1 Varian UnityInova . 900 . . . 25339 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 25339 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $CypC-GSFGPDLRAGD isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25339 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CypC-GSFGPDLRAGD isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25339 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 25339 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.916 internal direct 1 . . . . . 25339 1 N 15 water protons . . . . ppm 4.916 external indirect 0.10136 . . . . . 25339 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25339 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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' . . isotropic 25339 1 2 '3D 1H-15N NOESY' . . isotropic 25339 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25339 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.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 GLY H H 1 8.668 . . 1 . . 277 . . 25 GLY H . 25339 1 2 . 1 1 3 3 GLY N N 15 111.502 . . 1 . . 278 . . 25 GLY N . 25339 1 3 . 1 1 4 4 ALA H H 1 8.348 . . 1 . . 201 . . 26 ALA H . 25339 1 4 . 1 1 4 4 ALA N N 15 124.044 . . 1 . . 202 . . 26 ALA N . 25339 1 5 . 1 1 5 5 GLU H H 1 8.494 . . 1 . . 302 . . 27 GLU H . 25339 1 6 . 1 1 5 5 GLU N N 15 119.652 . . 1 . . 301 . . 27 GLU N . 25339 1 7 . 1 1 6 6 GLY H H 1 8.360 . . 1 . . 269 . . 28 GLY H . 25339 1 8 . 1 1 6 6 GLY N N 15 109.311 . . 1 . . 270 . . 28 GLY N . 25339 1 9 . 1 1 7 7 PHE H H 1 8.065 . . 1 . . 310 . . 29 PHE H . 25339 1 10 . 1 1 7 7 PHE N N 15 119.872 . . 1 . . 309 . . 29 PHE N . 25339 1 11 . 1 1 8 8 ARG H H 1 8.167 . . 1 . . 267 . . 30 ARG H . 25339 1 12 . 1 1 8 8 ARG N N 15 122.904 . . 1 . . 268 . . 30 ARG N . 25339 1 13 . 1 1 9 9 LYS H H 1 8.373 . . 1 . . 223 . . 31 LYS H . 25339 1 14 . 1 1 9 9 LYS N N 15 122.827 . . 1 . . 224 . . 31 LYS N . 25339 1 15 . 1 1 10 10 ARG H H 1 8.656 . . 1 . . 346 . . 32 ARG H . 25339 1 16 . 1 1 10 10 ARG N N 15 122.211 . . 1 . . 345 . . 32 ARG N . 25339 1 17 . 1 1 11 11 GLY H H 1 7.692 . . 1 . . 221 . . 33 GLY H . 25339 1 18 . 1 1 11 11 GLY N N 15 108.728 . . 1 . . 222 . . 33 GLY N . 25339 1 19 . 1 1 13 13 SER H H 1 8.196 . . 1 . . 255 . . 35 SER H . 25339 1 20 . 1 1 13 13 SER N N 15 111.845 . . 1 . . 256 . . 35 SER N . 25339 1 21 . 1 1 14 14 VAL H H 1 8.975 . . 1 . . 257 . . 36 VAL H . 25339 1 22 . 1 1 14 14 VAL N N 15 127.251 . . 1 . . 258 . . 36 VAL N . 25339 1 23 . 1 1 15 15 THR H H 1 8.530 . . 1 . . 259 . . 37 THR H . 25339 1 24 . 1 1 15 15 THR N N 15 113.618 . . 1 . . 260 . . 37 THR N . 25339 1 25 . 1 1 16 16 ALA H H 1 7.790 . . 1 . . 261 . . 38 ALA H . 25339 1 26 . 1 1 16 16 ALA N N 15 123.295 . . 1 . . 262 . . 38 ALA N . 25339 1 27 . 1 1 17 17 LYS H H 1 8.158 . . 1 . . 263 . . 39 LYS H . 25339 1 28 . 1 1 17 17 LYS N N 15 117.879 . . 1 . . 264 . . 39 LYS N . 25339 1 29 . 1 1 18 18 VAL H H 1 8.676 0.0 . 1 . . 265 . . 40 VAL H . 25339 1 30 . 1 1 18 18 VAL N N 15 119.012 0.015 . 1 . . 266 . . 40 VAL N . 25339 1 31 . 1 1 19 19 PHE H H 1 8.132 0.024 . 1 . . 311 . . 41 PHE H . 25339 1 32 . 1 1 19 19 PHE N N 15 120.068 . . 1 . . 312 . . 41 PHE N . 25339 1 33 . 1 1 20 20 PHE H H 1 8.941 . . 1 . . 251 . . 42 PHE H . 25339 1 34 . 1 1 20 20 PHE N N 15 115.625 . . 1 . . 252 . . 42 PHE N . 25339 1 35 . 1 1 21 21 ASP H H 1 9.188 . . 1 . . 235 . . 43 ASP H . 25339 1 36 . 1 1 21 21 ASP N N 15 124.953 . . 1 . . 236 . . 43 ASP N . 25339 1 37 . 1 1 22 22 VAL H H 1 8.816 . . 1 . . 315 . . 44 VAL H . 25339 1 38 . 1 1 22 22 VAL N N 15 123.589 . . 1 . . 316 . . 44 VAL N . 25339 1 39 . 1 1 23 23 ARG H H 1 9.308 . . 1 . . 237 . . 45 ARG H . 25339 1 40 . 1 1 23 23 ARG N N 15 130.724 . . 1 . . 238 . . 45 ARG N . 25339 1 41 . 1 1 24 24 ILE H H 1 8.809 . . 1 . . 239 . . 46 ILE H . 25339 1 42 . 1 1 24 24 ILE N N 15 126.516 . . 1 . . 240 . . 46 ILE N . 25339 1 43 . 1 1 25 25 GLY H H 1 9.292 . . 1 . . 241 . . 47 GLY H . 25339 1 44 . 1 1 25 25 GLY N N 15 119.224 . . 1 . . 242 . . 47 GLY N . 25339 1 45 . 1 1 26 26 ASP H H 1 8.761 . . 1 . . 243 . . 48 ASP H . 25339 1 46 . 1 1 26 26 ASP N N 15 126.429 . . 1 . . 244 . . 48 ASP N . 25339 1 47 . 1 1 27 27 LYS H H 1 7.927 . . 1 . . 91 . . 49 LYS H . 25339 1 48 . 1 1 27 27 LYS N N 15 120.705 . . 1 . . 92 . . 49 LYS N . 25339 1 49 . 1 1 28 28 ASP H H 1 8.896 . . 1 . . 93 . . 50 ASP H . 25339 1 50 . 1 1 28 28 ASP N N 15 127.898 . . 1 . . 94 . . 50 ASP N . 25339 1 51 . 1 1 29 29 VAL H H 1 8.300 . . 1 . . 296 . . 51 VAL H . 25339 1 52 . 1 1 29 29 VAL N N 15 117.949 . . 1 . . 295 . . 51 VAL N . 25339 1 53 . 1 1 30 30 GLY H H 1 7.751 0.001 . 1 . . 95 . . 52 GLY H . 25339 1 54 . 1 1 30 30 GLY N N 15 108.096 . . 1 . . 96 . . 52 GLY N . 25339 1 55 . 1 1 31 31 ARG H H 1 8.107 . . 1 . . 106 . . 53 ARG H . 25339 1 56 . 1 1 31 31 ARG N N 15 119.975 . . 1 . . 107 . . 53 ARG N . 25339 1 57 . 1 1 32 32 ILE H H 1 9.418 0.004 . 1 . . 292 . . 54 ILE H . 25339 1 58 . 1 1 32 32 ILE N N 15 125.871 . . 1 . . 291 . . 54 ILE N . 25339 1 59 . 1 1 33 33 VAL H H 1 8.748 . . 1 . . 219 . . 55 VAL H . 25339 1 60 . 1 1 33 33 VAL N N 15 125.699 . . 1 . . 220 . . 55 VAL N . 25339 1 61 . 1 1 34 34 ILE H H 1 9.580 . . 1 . . 108 . . 56 ILE H . 25339 1 62 . 1 1 34 34 ILE N N 15 128.753 . . 1 . . 109 . . 56 ILE N . 25339 1 63 . 1 1 35 35 GLY H H 1 9.372 . . 1 . . 110 . . 57 GLY H . 25339 1 64 . 1 1 35 35 GLY N N 15 114.019 . . 1 . . 111 . . 57 GLY N . 25339 1 65 . 1 1 36 36 LEU H H 1 8.206 . . 1 . . 43 . . 58 LEU H . 25339 1 66 . 1 1 36 36 LEU N N 15 123.563 . . 1 . . 44 . . 58 LEU N . 25339 1 67 . 1 1 37 37 PHE H H 1 7.556 . . 1 . . 45 . . 59 PHE H . 25339 1 68 . 1 1 37 37 PHE N N 15 121.962 . . 1 . . 46 . . 59 PHE N . 25339 1 69 . 1 1 38 38 GLY H H 1 7.956 . . 1 . . 47 . . 60 GLY H . 25339 1 70 . 1 1 38 38 GLY N N 15 108.801 . . 1 . . 48 . . 60 GLY N . 25339 1 71 . 1 1 39 39 LYS H H 1 9.191 . . 1 . . 49 . . 61 LYS H . 25339 1 72 . 1 1 39 39 LYS N N 15 116.547 . . 1 . . 50 . . 61 LYS N . 25339 1 73 . 1 1 40 40 VAL H H 1 7.386 . . 1 . . 51 . . 62 VAL H . 25339 1 74 . 1 1 40 40 VAL N N 15 119.619 . . 1 . . 52 . . 62 VAL N . 25339 1 75 . 1 1 41 41 VAL H H 1 7.428 . . 1 . . 53 . . 63 VAL H . 25339 1 76 . 1 1 41 41 VAL N N 15 111.417 . . 1 . . 54 . . 63 VAL N . 25339 1 77 . 1 1 43 43 LYS H H 1 10.783 . . 1 . . 112 . . 65 LYS H . 25339 1 78 . 1 1 43 43 LYS N N 15 121.721 . . 1 . . 113 . . 65 LYS N . 25339 1 79 . 1 1 44 44 THR H H 1 10.174 . . 1 . . 114 . . 66 THR H . 25339 1 80 . 1 1 44 44 THR N N 15 123.887 . . 1 . . 115 . . 66 THR N . 25339 1 81 . 1 1 45 45 VAL H H 1 8.835 . . 1 . . 116 . . 67 VAL H . 25339 1 82 . 1 1 45 45 VAL N N 15 124.905 . . 1 . . 117 . . 67 VAL N . 25339 1 83 . 1 1 46 46 GLU H H 1 8.622 . . 1 . . 118 . . 68 GLU H . 25339 1 84 . 1 1 46 46 GLU N N 15 119.725 . . 1 . . 119 . . 68 GLU N . 25339 1 85 . 1 1 47 47 ASN H H 1 7.230 . . 1 . . 120 . . 69 ASN H . 25339 1 86 . 1 1 47 47 ASN N N 15 114.754 . . 1 . . 121 . . 69 ASN N . 25339 1 87 . 1 1 48 48 PHE H H 1 7.419 . . 1 . . 122 . . 70 PHE H . 25339 1 88 . 1 1 48 48 PHE N N 15 119.826 . . 1 . . 123 . . 70 PHE N . 25339 1 89 . 1 1 49 49 VAL H H 1 8.845 . . 1 . . 124 . . 71 VAL H . 25339 1 90 . 1 1 49 49 VAL N N 15 115.936 . . 1 . . 125 . . 71 VAL N . 25339 1 91 . 1 1 50 50 ALA H H 1 7.902 . . 1 . . 126 . . 72 ALA H . 25339 1 92 . 1 1 50 50 ALA N N 15 119.729 . . 1 . . 127 . . 72 ALA N . 25339 1 93 . 1 1 51 51 LEU H H 1 8.323 . . 1 . . 128 . . 73 LEU H . 25339 1 94 . 1 1 51 51 LEU N N 15 120.465 . . 1 . . 129 . . 73 LEU N . 25339 1 95 . 1 1 52 52 ALA H H 1 8.501 . . 1 . . 130 . . 74 ALA H . 25339 1 96 . 1 1 52 52 ALA N N 15 125.684 . . 1 . . 131 . . 74 ALA N . 25339 1 97 . 1 1 53 53 THR H H 1 8.702 . . 1 . . 132 . . 75 THR H . 25339 1 98 . 1 1 53 53 THR N N 15 106.988 . . 1 . . 133 . . 75 THR N . 25339 1 99 . 1 1 54 54 GLY H H 1 7.757 . . 1 . . 134 . . 76 GLY H . 25339 1 100 . 1 1 54 54 GLY N N 15 109.446 . . 1 . . 135 . . 76 GLY N . 25339 1 101 . 1 1 55 55 GLU H H 1 8.022 . . 1 . . 306 . . 77 GLU H . 25339 1 102 . 1 1 55 55 GLU N N 15 119.904 . . 1 . . 305 . . 77 GLU N . 25339 1 103 . 1 1 56 56 LYS H H 1 9.215 . . 1 . . 138 . . 78 LYS H . 25339 1 104 . 1 1 56 56 LYS N N 15 117.480 . . 1 . . 139 . . 78 LYS N . 25339 1 105 . 1 1 57 57 GLY H H 1 7.903 . . 1 . . 146 . . 79 GLY H . 25339 1 106 . 1 1 57 57 GLY N N 15 105.660 . . 1 . . 147 . . 79 GLY N . 25339 1 107 . 1 1 58 58 TYR H H 1 6.399 . . 1 . . 67 . . 80 TYR H . 25339 1 108 . 1 1 58 58 TYR N N 15 115.031 . . 1 . . 68 . . 80 TYR N . 25339 1 109 . 1 1 59 59 GLY H H 1 8.651 . . 1 . . 69 . . 81 GLY H . 25339 1 110 . 1 1 59 59 GLY N N 15 105.188 . . 1 . . 70 . . 81 GLY N . 25339 1 111 . 1 1 60 60 TYR H H 1 7.306 . . 1 . . 36 . . 82 TYR H . 25339 1 112 . 1 1 60 60 TYR N N 15 113.892 . . 1 . . 37 . . 82 TYR N . 25339 1 113 . 1 1 61 61 LYS H H 1 8.733 . . 1 . . 71 . . 83 LYS H . 25339 1 114 . 1 1 61 61 LYS N N 15 124.423 . . 1 . . 72 . . 83 LYS N . 25339 1 115 . 1 1 62 62 GLY H H 1 9.268 . . 1 . . 73 . . 84 GLY H . 25339 1 116 . 1 1 62 62 GLY N N 15 117.164 . . 1 . . 74 . . 84 GLY N . 25339 1 117 . 1 1 63 63 SER H H 1 8.298 . . 1 . . 75 . . 85 SER H . 25339 1 118 . 1 1 63 63 SER N N 15 116.594 . . 1 . . 76 . . 85 SER N . 25339 1 119 . 1 1 64 64 LYS H H 1 8.547 . . 1 . . 77 . . 86 LYS H . 25339 1 120 . 1 1 64 64 LYS N N 15 114.891 . . 1 . . 78 . . 86 LYS N . 25339 1 121 . 1 1 65 65 PHE H H 1 8.647 . . 1 . . 79 . . 87 PHE H . 25339 1 122 . 1 1 65 65 PHE N N 15 120.646 . . 1 . . 286 . . 87 PHE N . 25339 1 123 . 1 1 66 66 HIS H H 1 7.693 . . 1 . . 80 . . 88 HIS H . 25339 1 124 . 1 1 66 66 HIS N N 15 120.625 . . 1 . . 81 . . 88 HIS N . 25339 1 125 . 1 1 67 67 ARG H H 1 7.079 . . 1 . . 82 . . 89 ARG H . 25339 1 126 . 1 1 67 67 ARG N N 15 123.821 . . 1 . . 83 . . 89 ARG N . 25339 1 127 . 1 1 68 68 VAL H H 1 9.261 . . 1 . . 84 . . 90 VAL H . 25339 1 128 . 1 1 68 68 VAL N N 15 128.367 . . 1 . . 85 . . 90 VAL N . 25339 1 129 . 1 1 69 69 ILE H H 1 8.471 . . 1 . . 288 . . 91 ILE H . 25339 1 130 . 1 1 69 69 ILE N N 15 125.082 . . 1 . . 86 . . 91 ILE N . 25339 1 131 . 1 1 70 70 LYS H H 1 9.036 . . 1 . . 40 . . 92 LYS H . 25339 1 132 . 1 1 70 70 LYS N N 15 129.417 . . 1 . . 283 . . 92 LYS N . 25339 1 133 . 1 1 71 71 ASP H H 1 9.722 . . 1 . . 324 . . 93 ASP H . 25339 1 134 . 1 1 71 71 ASP N N 15 118.419 . . 1 . . 323 . . 93 ASP N . 25339 1 135 . 1 1 72 72 PHE H H 1 8.300 . . 1 . . 281 . . 94 PHE H . 25339 1 136 . 1 1 72 72 PHE N N 15 114.251 . . 1 . . 282 . . 94 PHE N . 25339 1 137 . 1 1 73 73 MET H H 1 8.498 . . 1 . . 13 . . 95 MET H . 25339 1 138 . 1 1 73 73 MET N N 15 114.816 . . 1 . . 14 . . 95 MET N . 25339 1 139 . 1 1 74 74 ILE H H 1 7.920 . . 1 . . 215 . . 96 ILE H . 25339 1 140 . 1 1 74 74 ILE N N 15 111.522 . . 1 . . 216 . . 96 ILE N . 25339 1 141 . 1 1 75 75 GLN H H 1 9.047 . . 1 . . 326 . . 97 GLN H . 25339 1 142 . 1 1 75 75 GLN N N 15 125.655 . . 1 . . 325 . . 97 GLN N . 25339 1 143 . 1 1 76 76 GLY H H 1 7.742 . . 1 . . 31 . . 98 GLY H . 25339 1 144 . 1 1 76 76 GLY N N 15 109.783 . . 1 . . 32 . . 98 GLY N . 25339 1 145 . 1 1 78 78 ASP H H 1 10.160 . . 1 . . 217 . . 100 ASP H . 25339 1 146 . 1 1 78 78 ASP N N 15 124.858 . . 1 . . 218 . . 100 ASP N . 25339 1 147 . 1 1 80 80 THR H H 1 7.968 . . 1 . . 328 . . 102 THR H . 25339 1 148 . 1 1 80 80 THR N N 15 108.860 . . 1 . . 327 . . 102 THR N . 25339 1 149 . 1 1 81 81 THR H H 1 9.082 0.002 . 1 . . 55 . . 103 THR H . 25339 1 150 . 1 1 81 81 THR N N 15 119.458 . . 1 . . 56 . . 103 THR N . 25339 1 151 . 1 1 82 82 GLY H H 1 8.527 . . 1 . . 57 . . 104 GLY H . 25339 1 152 . 1 1 82 82 GLY N N 15 107.986 . . 1 . . 58 . . 104 GLY N . 25339 1 153 . 1 1 83 83 ASP H H 1 7.663 . . 1 . . 59 . . 105 ASP H . 25339 1 154 . 1 1 83 83 ASP N N 15 117.344 . . 1 . . 60 . . 105 ASP N . 25339 1 155 . 1 1 84 84 GLY H H 1 9.669 . . 1 . . 193 . . 106 GLY H . 25339 1 156 . 1 1 84 84 GLY N N 15 111.285 . . 1 . . 194 . . 106 GLY N . 25339 1 157 . 1 1 85 85 THR H H 1 8.187 . . 1 . . 195 . . 107 THR H . 25339 1 158 . 1 1 85 85 THR N N 15 113.451 . . 1 . . 196 . . 107 THR N . 25339 1 159 . 1 1 86 86 GLY H H 1 8.644 . . 1 . . 199 . . 108 GLY H . 25339 1 160 . 1 1 86 86 GLY N N 15 113.348 . . 1 . . 200 . . 108 GLY N . 25339 1 161 . 1 1 87 87 GLY H H 1 8.274 . . 1 . . 203 . . 109 GLY H . 25339 1 162 . 1 1 87 87 GLY N N 15 107.048 . . 1 . . 204 . . 109 GLY N . 25339 1 163 . 1 1 88 88 VAL H H 1 7.321 . . 1 . . 205 . . 110 VAL H . 25339 1 164 . 1 1 88 88 VAL N N 15 115.919 . . 1 . . 206 . . 110 VAL N . 25339 1 165 . 1 1 89 89 SER H H 1 7.543 . . 1 . . 172 . . 111 SER H . 25339 1 166 . 1 1 89 89 SER N N 15 115.798 . . 1 . . 173 . . 111 SER N . 25339 1 167 . 1 1 90 90 ILE H H 1 8.628 . . 1 . . 330 . . 112 ILE H . 25339 1 168 . 1 1 90 90 ILE N N 15 112.117 . . 1 . . 329 . . 112 ILE N . 25339 1 169 . 1 1 91 91 TYR H H 1 7.925 0.0 . 1 . . 308 . . 113 TYR H . 25339 1 170 . 1 1 91 91 TYR N N 15 120.170 . . 1 . . 307 . . 113 TYR N . 25339 1 171 . 1 1 92 92 GLY H H 1 7.135 . . 1 . . 174 . . 114 GLY H . 25339 1 172 . 1 1 92 92 GLY N N 15 106.447 . . 1 . . 175 . . 114 GLY N . 25339 1 173 . 1 1 93 93 GLU H H 1 9.264 . . 1 . . 176 . . 115 GLU H . 25339 1 174 . 1 1 93 93 GLU N N 15 123.678 . . 1 . . 177 . . 115 GLU N . 25339 1 175 . 1 1 94 94 THR H H 1 7.402 . . 1 . . 178 . . 116 THR H . 25339 1 176 . 1 1 94 94 THR N N 15 101.465 . . 1 . . 290 . . 116 THR N . 25339 1 177 . 1 1 95 95 PHE H H 1 8.870 . . 1 . . 179 . . 117 PHE H . 25339 1 178 . 1 1 95 95 PHE N N 15 116.218 . . 1 . . 180 . . 117 PHE N . 25339 1 179 . 1 1 97 97 ASP H H 1 9.291 . . 1 . . 156 . . 119 ASP H . 25339 1 180 . 1 1 97 97 ASP N N 15 120.361 . . 1 . . 157 . . 119 ASP N . 25339 1 181 . 1 1 98 98 GLU H H 1 9.266 . . 1 . . 158 . . 120 GLU H . 25339 1 182 . 1 1 98 98 GLU N N 15 131.855 . . 1 . . 159 . . 120 GLU N . 25339 1 183 . 1 1 99 99 ASN H H 1 6.981 . . 1 . . 160 . . 121 ASN H . 25339 1 184 . 1 1 99 99 ASN N N 15 106.415 . . 1 . . 161 . . 121 ASN N . 25339 1 185 . 1 1 100 100 PHE H H 1 8.331 . . 1 . . 334 . . 122 PHE H . 25339 1 186 . 1 1 100 100 PHE N N 15 113.134 . . 1 . . 333 . . 122 PHE N . 25339 1 187 . 1 1 101 101 LYS H H 1 8.456 . . 1 . . 304 . . 123 LYS H . 25339 1 188 . 1 1 101 101 LYS N N 15 119.820 . . 1 . . 303 . . 123 LYS N . 25339 1 189 . 1 1 102 102 LEU H H 1 7.858 . . 1 . . 87 . . 124 LEU H . 25339 1 190 . 1 1 102 102 LEU N N 15 114.136 . . 1 . . 88 . . 124 LEU N . 25339 1 191 . 1 1 103 103 LYS H H 1 5.759 . . 1 . . 61 . . 125 LYS H . 25339 1 192 . 1 1 103 103 LYS N N 15 118.507 . . 1 . . 62 . . 125 LYS N . 25339 1 193 . 1 1 104 104 HIS H H 1 9.617 . . 1 . . 63 . . 126 HIS H . 25339 1 194 . 1 1 104 104 HIS N N 15 116.567 . . 1 . . 64 . . 126 HIS N . 25339 1 195 . 1 1 105 105 TYR H H 1 5.997 . . 1 . . 65 . . 127 TYR H . 25339 1 196 . 1 1 105 105 TYR N N 15 116.552 . . 1 . . 66 . . 127 TYR N . 25339 1 197 . 1 1 106 106 GLY H H 1 6.954 0.021 . 1 . . 285 . . 128 GLY H . 25339 1 198 . 1 1 106 106 GLY N N 15 100.417 . . 1 . . 289 . . 128 GLY N . 25339 1 199 . 1 1 107 107 ILE H H 1 8.874 . . 1 . . 348 . . 129 ILE H . 25339 1 200 . 1 1 107 107 ILE N N 15 124.390 . . 1 . . 347 . . 129 ILE N . 25339 1 201 . 1 1 108 108 GLY H H 1 9.336 . . 1 . . 273 . . 130 GLY H . 25339 1 202 . 1 1 108 108 GLY N N 15 114.907 . . 1 . . 274 . . 130 GLY N . 25339 1 203 . 1 1 109 109 TRP H H 1 8.337 . . 1 . . 320 . . 131 TRP H . 25339 1 204 . 1 1 109 109 TRP N N 15 123.246 . . 1 . . 319 . . 131 TRP N . 25339 1 205 . 1 1 110 110 VAL H H 1 8.353 . . 1 . . 136 . . 132 VAL H . 25339 1 206 . 1 1 110 110 VAL N N 15 121.302 . . 1 . . 137 . . 132 VAL N . 25339 1 207 . 1 1 111 111 SER H H 1 8.164 . . 1 . . 140 . . 133 SER H . 25339 1 208 . 1 1 111 111 SER N N 15 121.213 . . 1 . . 141 . . 133 SER N . 25339 1 209 . 1 1 112 112 MET H H 1 8.591 . . 1 . . 336 . . 134 MET H . 25339 1 210 . 1 1 112 112 MET N N 15 124.072 . . 1 . . 335 . . 134 MET N . 25339 1 211 . 1 1 113 113 ALA H H 1 8.320 0.006 . 1 . . 142 . . 135 ALA H . 25339 1 212 . 1 1 113 113 ALA N N 15 126.940 . . 1 . . 143 . . 135 ALA N . 25339 1 213 . 1 1 115 115 ALA H H 1 8.576 . . 1 . . 318 . . 137 ALA H . 25339 1 214 . 1 1 115 115 ALA N N 15 123.857 . . 1 . . 317 . . 137 ALA N . 25339 1 215 . 1 1 116 116 GLY H H 1 8.193 . . 1 . . 144 . . 138 GLY H . 25339 1 216 . 1 1 116 116 GLY N N 15 110.770 . . 1 . . 145 . . 138 GLY N . 25339 1 217 . 1 1 118 118 ASP H H 1 8.538 . . 1 . . 338 . . 140 ASP H . 25339 1 218 . 1 1 118 118 ASP N N 15 120.233 . . 1 . . 337 . . 140 ASP N . 25339 1 219 . 1 1 119 119 THR H H 1 10.241 0.005 . 1 . . 1 . . 141 THR H . 25339 1 220 . 1 1 119 119 THR N N 15 110.507 . . 1 . . 2 . . 141 THR N . 25339 1 221 . 1 1 120 120 ASN H H 1 6.901 . . 1 . . 5 . . 142 ASN H . 25339 1 222 . 1 1 120 120 ASN N N 15 118.269 . . 1 . . 6 . . 142 ASN N . 25339 1 223 . 1 1 121 121 GLY H H 1 9.419 . . 1 . . 11 . . 143 GLY H . 25339 1 224 . 1 1 121 121 GLY N N 15 110.406 . . 1 . . 12 . . 143 GLY N . 25339 1 225 . 1 1 122 122 SER H H 1 8.638 . . 1 . . 7 . . 144 SER H . 25339 1 226 . 1 1 122 122 SER N N 15 116.590 . . 1 . . 8 . . 144 SER N . 25339 1 227 . 1 1 124 124 PHE H H 1 8.305 . . 1 . . 298 . . 146 PHE H . 25339 1 228 . 1 1 124 124 PHE N N 15 118.294 . . 1 . . 297 . . 146 PHE N . 25339 1 229 . 1 1 125 125 PHE H H 1 9.996 0.005 . 1 . . 19 . . 147 PHE H . 25339 1 230 . 1 1 125 125 PHE N N 15 116.488 . . 1 . . 20 . . 147 PHE N . 25339 1 231 . 1 1 126 126 ILE H H 1 9.075 . . 1 . . 21 . . 148 ILE H . 25339 1 232 . 1 1 126 126 ILE N N 15 117.948 . . 1 . . 22 . . 148 ILE N . 25339 1 233 . 1 1 127 127 THR H H 1 9.529 . . 1 . . 23 . . 149 THR H . 25339 1 234 . 1 1 127 127 THR N N 15 115.661 . . 1 . . 24 . . 149 THR N . 25339 1 235 . 1 1 128 128 LEU H H 1 8.411 . . 1 . . 25 . . 150 LEU H . 25339 1 236 . 1 1 128 128 LEU N N 15 121.723 . . 1 . . 26 . . 150 LEU N . 25339 1 237 . 1 1 129 129 THR H H 1 7.681 . . 1 . . 27 . . 151 THR H . 25339 1 238 . 1 1 129 129 THR N N 15 115.524 . . 1 . . 28 . . 151 THR N . 25339 1 239 . 1 1 130 130 LYS H H 1 8.129 . . 1 . . 29 . . 152 LYS H . 25339 1 240 . 1 1 130 130 LYS N N 15 121.929 . . 1 . . 30 . . 152 LYS N . 25339 1 241 . 1 1 132 132 THR H H 1 7.695 . . 1 . . 166 . . 154 THR H . 25339 1 242 . 1 1 132 132 THR N N 15 118.021 . . 1 . . 167 . . 154 THR N . 25339 1 243 . 1 1 133 133 TRP H H 1 7.252 . . 1 . . 168 . . 155 TRP H . 25339 1 244 . 1 1 133 133 TRP N N 15 117.976 . . 1 . . 169 . . 155 TRP N . 25339 1 245 . 1 1 134 134 LEU H H 1 7.145 . . 1 . . 170 . . 156 LEU H . 25339 1 246 . 1 1 134 134 LEU N N 15 119.216 . . 1 . . 171 . . 156 LEU N . 25339 1 247 . 1 1 135 135 ASP H H 1 7.459 . . 1 . . 3 . . 157 ASP H . 25339 1 248 . 1 1 135 135 ASP N N 15 122.396 . . 1 . . 4 . . 157 ASP N . 25339 1 249 . 1 1 136 136 GLY H H 1 9.607 . . 1 . . 162 . . 158 GLY H . 25339 1 250 . 1 1 136 136 GLY N N 15 111.966 . . 1 . . 163 . . 158 GLY N . 25339 1 251 . 1 1 137 137 LYS H H 1 7.828 . . 1 . . 164 . . 159 LYS H . 25339 1 252 . 1 1 137 137 LYS N N 15 114.696 . . 1 . . 165 . . 159 LYS N . 25339 1 253 . 1 1 138 138 HIS H H 1 7.347 . . 1 . . 15 . . 160 HIS H . 25339 1 254 . 1 1 138 138 HIS N N 15 118.819 . . 1 . . 16 . . 160 HIS N . 25339 1 255 . 1 1 140 140 VAL H H 1 9.674 . . 1 . . 148 . . 162 VAL H . 25339 1 256 . 1 1 140 140 VAL N N 15 133.977 . . 1 . . 149 . . 162 VAL N . 25339 1 257 . 1 1 141 141 PHE H H 1 8.226 . . 1 . . 294 . . 163 PHE H . 25339 1 258 . 1 1 141 141 PHE N N 15 117.501 . . 1 . . 293 . . 163 PHE N . 25339 1 259 . 1 1 142 142 GLY H H 1 7.526 . . 1 . . 150 . . 164 GLY H . 25339 1 260 . 1 1 142 142 GLY N N 15 108.611 . . 1 . . 151 . . 164 GLY N . 25339 1 261 . 1 1 143 143 LYS H H 1 8.540 . . 1 . . 300 . . 165 LYS H . 25339 1 262 . 1 1 143 143 LYS N N 15 118.338 . . 1 . . 299 . . 165 LYS N . 25339 1 263 . 1 1 144 144 VAL H H 1 9.356 . . 1 . . 152 . . 166 VAL H . 25339 1 264 . 1 1 144 144 VAL N N 15 127.620 . . 1 . . 153 . . 166 VAL N . 25339 1 265 . 1 1 145 145 ILE H H 1 8.911 . . 1 . . 154 . . 167 ILE H . 25339 1 266 . 1 1 145 145 ILE N N 15 125.370 . . 1 . . 155 . . 167 ILE N . 25339 1 267 . 1 1 146 146 ASP H H 1 7.862 . . 1 . . 33 . . 168 ASP H . 25339 1 268 . 1 1 146 146 ASP N N 15 119.823 . . 1 . . 287 . . 168 ASP N . 25339 1 269 . 1 1 147 147 GLY H H 1 8.413 . . 1 . . 34 . . 169 GLY H . 25339 1 270 . 1 1 147 147 GLY N N 15 109.476 . . 1 . . 35 . . 169 GLY N . 25339 1 271 . 1 1 148 148 MET H H 1 8.983 0.002 . 1 . . 38 . . 170 MET H . 25339 1 272 . 1 1 148 148 MET N N 15 121.928 . . 1 . . 39 . . 170 MET N . 25339 1 273 . 1 1 149 149 THR H H 1 8.626 . . 1 . . 344 . . 171 THR H . 25339 1 274 . 1 1 149 149 THR N N 15 111.945 . . 1 . . 343 . . 171 THR N . 25339 1 275 . 1 1 150 150 VAL H H 1 7.257 . . 1 . . 245 . . 172 VAL H . 25339 1 276 . 1 1 150 150 VAL N N 15 124.580 . . 1 . . 246 . . 172 VAL N . 25339 1 277 . 1 1 151 151 VAL H H 1 7.271 . . 1 . . 225 . . 173 VAL H . 25339 1 278 . 1 1 151 151 VAL N N 15 119.235 . . 1 . . 226 . . 173 VAL N . 25339 1 279 . 1 1 152 152 HIS H H 1 8.446 . . 1 . . 227 . . 174 HIS H . 25339 1 280 . 1 1 152 152 HIS N N 15 115.264 . . 1 . . 228 . . 174 HIS N . 25339 1 281 . 1 1 153 153 SER H H 1 7.983 . . 1 . . 229 . . 175 SER H . 25339 1 282 . 1 1 153 153 SER N N 15 117.154 . . 1 . . 230 . . 175 SER N . 25339 1 283 . 1 1 154 154 ILE H H 1 7.657 . . 1 . . 231 . . 176 ILE H . 25339 1 284 . 1 1 154 154 ILE N N 15 122.548 . . 1 . . 232 . . 176 ILE N . 25339 1 285 . 1 1 155 155 GLU H H 1 7.946 . . 1 . . 233 . . 177 GLU H . 25339 1 286 . 1 1 155 155 GLU N N 15 117.919 . . 1 . . 234 . . 177 GLU N . 25339 1 287 . 1 1 156 156 LEU H H 1 7.089 . . 1 . . 183 . . 178 LEU H . 25339 1 288 . 1 1 156 156 LEU N N 15 113.026 . . 1 . . 184 . . 178 LEU N . 25339 1 289 . 1 1 157 157 GLN H H 1 7.718 . . 1 . . 185 . . 179 GLN H . 25339 1 290 . 1 1 157 157 GLN N N 15 119.491 . . 1 . . 186 . . 179 GLN N . 25339 1 291 . 1 1 158 158 ALA H H 1 8.473 . . 1 . . 187 . . 180 ALA H . 25339 1 292 . 1 1 158 158 ALA N N 15 124.200 . . 1 . . 188 . . 180 ALA N . 25339 1 293 . 1 1 159 159 THR H H 1 8.513 . . 1 . . 189 . . 181 THR H . 25339 1 294 . 1 1 159 159 THR N N 15 111.776 . . 1 . . 190 . . 181 THR N . 25339 1 295 . 1 1 160 160 ASP H H 1 8.398 . . 1 . . 191 . . 182 ASP H . 25339 1 296 . 1 1 160 160 ASP N N 15 119.118 . . 1 . . 192 . . 182 ASP N . 25339 1 297 . 1 1 161 161 GLY H H 1 8.554 . . 1 . . 279 . . 183 GLY H . 25339 1 298 . 1 1 161 161 GLY N N 15 104.899 . . 1 . . 280 . . 183 GLY N . 25339 1 299 . 1 1 162 162 HIS H H 1 8.722 . . 1 . . 275 . . 184 HIS H . 25339 1 300 . 1 1 162 162 HIS N N 15 119.147 . . 1 . . 276 . . 184 HIS N . 25339 1 301 . 1 1 163 163 ASP H H 1 8.340 . . 1 . . 332 . . 185 ASP H . 25339 1 302 . 1 1 163 163 ASP N N 15 113.477 . . 1 . . 331 . . 185 ASP N . 25339 1 303 . 1 1 164 164 ARG H H 1 8.457 . . 1 . . 197 . . 186 ARG H . 25339 1 304 . 1 1 164 164 ARG N N 15 121.223 . . 1 . . 198 . . 186 ARG N . 25339 1 305 . 1 1 166 166 LEU H H 1 8.595 0.003 . 1 . . 17 . . 188 LEU H . 25339 1 306 . 1 1 166 166 LEU N N 15 125.360 . . 1 . . 18 . . 188 LEU N . 25339 1 307 . 1 1 167 167 THR H H 1 8.192 . . 1 . . 342 . . 189 THR H . 25339 1 308 . 1 1 167 167 THR N N 15 117.086 . . 1 . . 341 . . 189 THR N . 25339 1 309 . 1 1 168 168 ASN H H 1 8.527 . . 1 . . 253 . . 190 ASN H . 25339 1 310 . 1 1 168 168 ASN N N 15 120.402 . . 1 . . 254 . . 190 ASN N . 25339 1 311 . 1 1 169 169 CYS H H 1 9.783 . . 1 . . 247 . . 191 CYS H . 25339 1 312 . 1 1 169 169 CYS N N 15 125.200 . . 1 . . 248 . . 191 CYS N . 25339 1 313 . 1 1 170 170 SER H H 1 9.308 . . 1 . . 9 . . 192 SER H . 25339 1 314 . 1 1 170 170 SER N N 15 118.322 . . 1 . . 10 . . 192 SER N . 25339 1 315 . 1 1 171 171 ILE H H 1 8.853 . . 1 . . 314 . . 193 ILE H . 25339 1 316 . 1 1 171 171 ILE N N 15 123.429 . . 1 . . 313 . . 193 ILE N . 25339 1 317 . 1 1 172 172 ILE H H 1 8.743 . . 1 . . 249 . . 194 ILE H . 25339 1 318 . 1 1 172 172 ILE N N 15 125.077 . . 1 . . 250 . . 194 ILE N . 25339 1 319 . 1 1 173 173 ASN H H 1 7.741 . . 1 . . 213 . . 195 ASN H . 25339 1 320 . 1 1 173 173 ASN N N 15 114.523 . . 1 . . 214 . . 195 ASN N . 25339 1 321 . 1 1 174 174 SER H H 1 8.171 . . 1 . . 340 . . 196 SER H . 25339 1 322 . 1 1 174 174 SER N N 15 117.064 . . 1 . . 339 . . 196 SER N . 25339 1 323 . 1 1 175 175 GLY H H 1 6.680 0.009 . 1 . . 207 . . 197 GLY H . 25339 1 324 . 1 1 175 175 GLY N N 15 105.502 . . 1 . . 208 . . 197 GLY N . 25339 1 325 . 1 1 176 176 LYS H H 1 8.745 0.009 . 1 . . 209 . . 198 LYS H . 25339 1 326 . 1 1 176 176 LYS N N 15 118.761 . . 1 . . 210 . . 198 LYS N . 25339 1 327 . 1 1 177 177 ILE H H 1 8.357 . . 1 . . 322 . . 199 ILE H . 25339 1 328 . 1 1 177 177 ILE N N 15 123.143 . . 1 . . 321 . . 199 ILE N . 25339 1 329 . 1 1 178 178 ASP H H 1 8.742 . . 1 . . 211 . . 200 ASP H . 25339 1 330 . 1 1 178 178 ASP N N 15 126.841 . . 1 . . 212 . . 200 ASP N . 25339 1 331 . 1 1 179 179 VAL H H 1 8.831 . . 1 . . 350 . . 201 VAL H . 25339 1 332 . 1 1 179 179 VAL N N 15 124.219 . . 1 . . 349 . . 201 VAL N . 25339 1 333 . 1 1 181 181 THR H H 1 7.738 . . 1 . . 181 . . 203 THR H . 25339 1 334 . 1 1 181 181 THR N N 15 113.724 . . 1 . . 182 . . 203 THR N . 25339 1 335 . 1 1 183 183 PHE H H 1 7.069 . . 1 . . 41 . . 205 PHE H . 25339 1 336 . 1 1 183 183 PHE N N 15 116.479 . . 1 . . 42 . . 205 PHE N . 25339 1 337 . 1 1 184 184 VAL H H 1 8.505 . . 1 . . 89 . . 206 VAL H . 25339 1 338 . 1 1 184 184 VAL N N 15 121.522 . . 1 . . 90 . . 206 VAL N . 25339 1 339 . 1 1 185 185 VAL H H 1 8.081 . . 1 . . 97 . . 207 VAL H . 25339 1 340 . 1 1 185 185 VAL N N 15 128.309 . . 1 . . 98 . . 207 VAL N . 25339 1 341 . 1 1 186 186 GLU H H 1 8.295 . . 1 . . 271 . . 208 GLU H . 25339 1 342 . 1 1 186 186 GLU N N 15 125.170 . . 1 . . 272 . . 208 GLU N . 25339 1 343 . 1 1 187 187 ILE H H 1 8.336 . . 1 . . 99 . . 209 ILE H . 25339 1 344 . 1 1 187 187 ILE N N 15 124.760 . . 1 . . 100 . . 209 ILE N . 25339 1 345 . 1 1 188 188 ALA H H 1 8.468 . . 1 . . 101 . . 210 ALA H . 25339 1 346 . 1 1 188 188 ALA N N 15 128.539 . . 1 . . 102 . . 210 ALA N . 25339 1 347 . 1 1 189 189 ASP H H 1 8.354 . . 1 . . 103 . . 211 ASP H . 25339 1 348 . 1 1 189 189 ASP N N 15 115.436 . . 1 . . 104 . . 211 ASP N . 25339 1 349 . 1 1 190 190 TRP H H 1 7.521 . . 1 . . 284 . . 212 TRP H . 25339 1 350 . 1 1 190 190 TRP N N 15 125.749 . . 1 . . 105 . . 212 TRP N . 25339 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 25339 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $CypC-GSFGPDLRAGD _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default List' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 6745.80419922 . . . . . . . 25339 1 2 . . N 15 15N . . 2985.96606445 . . . . . . . 25339 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 25339 1 2 1.0 . . 25339 1 3 1.0 . . 25339 1 4 1.0 . . 25339 1 5 1.0 . . 25339 1 6 1.0 . . 25339 1 7 1.0 . . 25339 1 8 1.0 . . 25339 1 9 1.0 . . 25339 1 10 1.0 . . 25339 1 11 1.0 . . 25339 1 12 1.0 . . 25339 1 13 1.0 . . 25339 1 14 1.0 . . 25339 1 15 1.0 . . 25339 1 16 1.0 . . 25339 1 17 1.0 . . 25339 1 18 1.0 . . 25339 1 19 1.0 . . 25339 1 20 1.0 . . 25339 1 21 1.0 . . 25339 1 22 1.0 . . 25339 1 23 1.0 . . 25339 1 24 1.0 . . 25339 1 25 1.0 . . 25339 1 26 1.0 . . 25339 1 27 1.0 . . 25339 1 28 1.0 . . 25339 1 29 1.0 . . 25339 1 30 1.0 . . 25339 1 31 1.0 . . 25339 1 32 1.0 . . 25339 1 33 1.0 . . 25339 1 34 1.0 . . 25339 1 35 1.0 . . 25339 1 36 1.0 . . 25339 1 37 1.0 . . 25339 1 38 1.0 . . 25339 1 39 1.0 . . 25339 1 40 1.0 . . 25339 1 41 1.0 . . 25339 1 42 1.0 . . 25339 1 43 1.0 . . 25339 1 44 1.0 . . 25339 1 45 1.0 . . 25339 1 46 1.0 . . 25339 1 47 1.0 . . 25339 1 48 1.0 . . 25339 1 49 1.0 . . 25339 1 50 1.0 . . 25339 1 51 1.0 . . 25339 1 52 1.0 . . 25339 1 53 1.0 . . 25339 1 54 1.0 . . 25339 1 55 1.0 . . 25339 1 56 1.0 . . 25339 1 57 1.0 . . 25339 1 58 1.0 . . 25339 1 59 1.0 . . 25339 1 60 1.0 . . 25339 1 61 1.0 . . 25339 1 62 1.0 . . 25339 1 63 1.0 . . 25339 1 64 1.0 . . 25339 1 65 1.0 . . 25339 1 66 1.0 . . 25339 1 67 1.0 . . 25339 1 68 1.0 . . 25339 1 69 1.0 . . 25339 1 70 1.0 . . 25339 1 71 1.0 . . 25339 1 72 1.0 . . 25339 1 73 1.0 . . 25339 1 74 1.0 . . 25339 1 75 1.0 . . 25339 1 76 1.0 . . 25339 1 77 1.0 . . 25339 1 78 1.0 . . 25339 1 79 1.0 . . 25339 1 80 1.0 . . 25339 1 81 1.0 . . 25339 1 82 1.0 . . 25339 1 83 1.0 . . 25339 1 84 1.0 . . 25339 1 85 1.0 . . 25339 1 86 1.0 . . 25339 1 87 1.0 . . 25339 1 88 1.0 . . 25339 1 89 1.0 . . 25339 1 90 1.0 . . 25339 1 91 1.0 . . 25339 1 92 1.0 . . 25339 1 93 1.0 . . 25339 1 94 1.0 . . 25339 1 95 1.0 . . 25339 1 96 1.0 . . 25339 1 97 1.0 . . 25339 1 98 1.0 . . 25339 1 99 1.0 . . 25339 1 100 1.0 . . 25339 1 101 1.0 . . 25339 1 102 1.0 . . 25339 1 103 1.0 . . 25339 1 104 1.0 . . 25339 1 105 1.0 . . 25339 1 106 1.0 . . 25339 1 107 1.0 . . 25339 1 108 1.0 . . 25339 1 109 1.0 . . 25339 1 110 1.0 . . 25339 1 111 1.0 . . 25339 1 112 1.0 . . 25339 1 113 1.0 . . 25339 1 114 1.0 . . 25339 1 115 1.0 . . 25339 1 116 1.0 . . 25339 1 117 1.0 . . 25339 1 118 1.0 . . 25339 1 119 1.0 . . 25339 1 120 1.0 . . 25339 1 121 1.0 . . 25339 1 122 1.0 . . 25339 1 123 1.0 . . 25339 1 124 1.0 . . 25339 1 125 1.0 . . 25339 1 126 1.0 . . 25339 1 127 1.0 . . 25339 1 128 1.0 . . 25339 1 129 1.0 . . 25339 1 130 1.0 . . 25339 1 131 1.0 . . 25339 1 132 1.0 . . 25339 1 133 1.0 . . 25339 1 134 1.0 . . 25339 1 135 1.0 . . 25339 1 136 1.0 . . 25339 1 137 1.0 . . 25339 1 138 1.0 . . 25339 1 139 1.0 . . 25339 1 140 1.0 . . 25339 1 141 1.0 . . 25339 1 142 1.0 . . 25339 1 143 1.0 . . 25339 1 144 1.0 . . 25339 1 145 1.0 . . 25339 1 146 1.0 . . 25339 1 147 1.0 . . 25339 1 148 1.0 . . 25339 1 149 1.0 . . 25339 1 150 1.0 . . 25339 1 151 1.0 . . 25339 1 152 1.0 . . 25339 1 153 1.0 . . 25339 1 154 1.0 . . 25339 1 155 1.0 . . 25339 1 156 1.0 . . 25339 1 157 1.0 . . 25339 1 158 1.0 . . 25339 1 159 1.0 . . 25339 1 160 1.0 . . 25339 1 161 1.0 . . 25339 1 162 1.0 . . 25339 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 78185.28906250 . height 25339 1 1 640735.93750000 . volume 25339 1 2 83188.67968750 . height 25339 1 2 679522.65625000 . volume 25339 1 3 135802.17187500 . height 25339 1 3 1094559.39844000 . volume 25339 1 4 154621.01562500 . height 25339 1 4 1242984.60938000 . volume 25339 1 5 130570.67968800 . height 25339 1 5 1054592.92969000 . volume 25339 1 6 178180.37500000 . height 25339 1 6 1434878.35938000 . volume 25339 1 7 89335.94531250 . height 25339 1 7 727610.47656200 . volume 25339 1 8 151121.23437500 . height 25339 1 8 1227648.77344000 . volume 25339 1 9 73766.35156250 . height 25339 1 9 610097.26953100 . volume 25339 1 10 129333.21093800 . height 25339 1 10 1044387.58594000 . volume 25339 1 11 140128.31250000 . height 25339 1 11 1135552.92188000 . volume 25339 1 12 241668.75000000 . height 25339 1 12 1934976.70312000 . volume 25339 1 13 148761.14062500 . height 25339 1 13 1201414.64844000 . volume 25339 1 14 112688.59375000 . height 25339 1 14 926842.66406200 . volume 25339 1 15 205701.51562500 . height 25339 1 15 1654734.85938000 . volume 25339 1 16 142396.00000000 . height 25339 1 16 1151979.03125000 . volume 25339 1 17 75714.72656250 . height 25339 1 17 622815.47656200 . volume 25339 1 18 162506.50000000 . height 25339 1 18 1313797.51562000 . volume 25339 1 19 109669.46875000 . height 25339 1 19 895892.67968800 . volume 25339 1 20 180655.56250000 . height 25339 1 20 1454765.20312000 . volume 25339 1 21 113579.39843800 . height 25339 1 21 928347.09375000 . volume 25339 1 22 123666.93750000 . height 25339 1 22 1000060.10156000 . volume 25339 1 23 124501.93750000 . height 25339 1 23 1014904.70312000 . volume 25339 1 24 120099.74218800 . height 25339 1 24 973751.81250000 . volume 25339 1 25 24055.91601560 . height 25339 1 25 201933.45898400 . volume 25339 1 26 220944.03125000 . height 25339 1 26 1765155.95312000 . volume 25339 1 27 118173.31250000 . height 25339 1 27 961672.46093800 . volume 25339 1 28 107107.30468800 . height 25339 1 28 874147.99218800 . volume 25339 1 29 211241.67187500 . height 25339 1 29 1693279.42188000 . volume 25339 1 30 307958.59375000 . height 25339 1 30 2459480.48438000 . volume 25339 1 31 59886.23828120 . height 25339 1 31 497481.40625000 . volume 25339 1 32 121460.32031200 . height 25339 1 32 987318.21093800 . volume 25339 1 33 104913.41406200 . height 25339 1 33 858033.51562500 . volume 25339 1 34 149013.23437500 . height 25339 1 34 1213893.02344000 . volume 25339 1 35 128221.57031200 . height 25339 1 35 1046779.71875000 . volume 25339 1 36 19940.34960940 . height 25339 1 36 157325.95312500 . volume 25339 1 37 124502.39062500 . height 25339 1 37 1010368.54688000 . volume 25339 1 38 128812.32031200 . height 25339 1 38 1057761.35938000 . volume 25339 1 39 148294.68750000 . height 25339 1 39 1210204.35156000 . volume 25339 1 40 134534.43750000 . height 25339 1 40 1094128.37500000 . volume 25339 1 41 201458.31250000 . height 25339 1 41 1624478.82812000 . volume 25339 1 42 110213.88281200 . height 25339 1 42 903194.82812500 . volume 25339 1 43 66549.49218750 . height 25339 1 43 531178.76953100 . volume 25339 1 44 210507.87500000 . height 25339 1 44 1691513.00000000 . volume 25339 1 45 134718.75000000 . height 25339 1 45 1087193.49219000 . volume 25339 1 46 113729.06250000 . height 25339 1 46 924398.40625000 . volume 25339 1 47 115830.80468800 . height 25339 1 47 940908.64843800 . volume 25339 1 48 172323.78125000 . height 25339 1 48 1391093.09375000 . volume 25339 1 49 100535.78125000 . height 25339 1 49 821371.05468800 . volume 25339 1 50 86633.46093750 . height 25339 1 50 714273.17187500 . volume 25339 1 51 110516.67187500 . height 25339 1 51 898989.71875000 . volume 25339 1 52 157860.78125000 . height 25339 1 52 1284532.34375000 . volume 25339 1 53 168924.29687500 . height 25339 1 53 1415792.76562000 . volume 25339 1 54 184754.65625000 . height 25339 1 54 1483355.93750000 . volume 25339 1 55 33739.28125000 . height 25339 1 55 284451.38476600 . volume 25339 1 56 175229.34375000 . height 25339 1 56 1415863.79688000 . volume 25339 1 57 152068.40625000 . height 25339 1 57 1230937.78906000 . volume 25339 1 58 108594.89062500 . height 25339 1 58 883463.16406200 . volume 25339 1 59 91155.61718750 . height 25339 1 59 750869.75781200 . volume 25339 1 60 87651.38281250 . height 25339 1 60 725524.81250000 . volume 25339 1 61 132388.03125000 . height 25339 1 61 1081709.44531000 . volume 25339 1 62 143700.23437500 . height 25339 1 62 1176489.21094000 . volume 25339 1 63 91973.71093750 . height 25339 1 63 763396.79687500 . volume 25339 1 64 212338.40625000 . height 25339 1 64 1703145.68750000 . volume 25339 1 65 56897.45312500 . height 25339 1 65 458908.45703100 . volume 25339 1 66 109018.29687500 . height 25339 1 66 893652.85937500 . volume 25339 1 67 82341.16406250 . height 25339 1 67 678746.87500000 . volume 25339 1 68 64746.34375000 . height 25339 1 68 541577.18750000 . volume 25339 1 69 87890.76562500 . height 25339 1 69 729079.14843800 . volume 25339 1 70 83191.08593750 . height 25339 1 70 685651.70312500 . volume 25339 1 71 98418.83593750 . height 25339 1 71 800123.27343800 . volume 25339 1 72 129462.08593800 . height 25339 1 72 1048537.41406000 . volume 25339 1 73 191456.32812500 . height 25339 1 73 1542603.14062000 . volume 25339 1 74 118349.35937500 . height 25339 1 74 965874.82812500 . volume 25339 1 75 59584.97656250 . height 25339 1 75 484867.46875000 . volume 25339 1 76 119461.79687500 . height 25339 1 76 972903.20312500 . volume 25339 1 77 121618.45312500 . height 25339 1 77 994259.40625000 . volume 25339 1 78 74875.14843750 . height 25339 1 78 625317.52734400 . volume 25339 1 79 22814.62695310 . height 25339 1 79 188079.26953100 . volume 25339 1 80 74786.26562500 . height 25339 1 80 613876.79687500 . volume 25339 1 81 91848.99218750 . height 25339 1 81 754848.55468800 . volume 25339 1 82 60672.48437500 . height 25339 1 82 496618.71093800 . volume 25339 1 83 104812.21875000 . height 25339 1 83 856371.10937500 . volume 25339 1 84 176128.85937500 . height 25339 1 84 1425058.98438000 . volume 25339 1 85 35996.32421880 . height 25339 1 85 300385.67773400 . volume 25339 1 86 96317.10937500 . height 25339 1 86 796766.02343800 . volume 25339 1 87 125435.28125000 . height 25339 1 87 1023648.80469000 . volume 25339 1 88 131015.64843800 . height 25339 1 88 1065181.79688000 . volume 25339 1 89 121522.86718800 . height 25339 1 89 993377.36718800 . volume 25339 1 90 142458.18750000 . height 25339 1 90 1162139.21094000 . volume 25339 1 91 122518.10156200 . height 25339 1 91 1003476.17969000 . volume 25339 1 92 137062.35937500 . height 25339 1 92 1115459.19531000 . volume 25339 1 93 107611.54687500 . height 25339 1 93 880272.35937500 . volume 25339 1 94 152943.18750000 . height 25339 1 94 1239865.53906000 . volume 25339 1 95 77030.27343750 . height 25339 1 95 631889.68750000 . volume 25339 1 96 133892.10937500 . height 25339 1 96 1086917.98438000 . volume 25339 1 97 23462.00390620 . height 25339 1 97 197874.52929700 . volume 25339 1 98 116000.67187500 . height 25339 1 98 951042.73437500 . volume 25339 1 99 117840.21875000 . height 25339 1 99 955600.40625000 . volume 25339 1 100 130597.06250000 . height 25339 1 100 1069707.10938000 . volume 25339 1 101 133647.21875000 . height 25339 1 101 1084491.71875000 . volume 25339 1 102 126009.50000000 . height 25339 1 102 1028092.46094000 . volume 25339 1 103 164705.31250000 . height 25339 1 103 1347024.20312000 . volume 25339 1 104 100572.50781200 . height 25339 1 104 820813.47656200 . volume 25339 1 105 31990.78320310 . height 25339 1 105 266568.05078100 . volume 25339 1 106 46333.00390620 . height 25339 1 106 383060.19140600 . volume 25339 1 107 129404.02343800 . height 25339 1 107 1049953.96094000 . volume 25339 1 108 92799.04687500 . height 25339 1 108 763845.57812500 . volume 25339 1 109 122726.78906200 . height 25339 1 109 1003353.47656000 . volume 25339 1 110 175058.85937500 . height 25339 1 110 1411834.51562000 . volume 25339 1 111 235885.82812500 . height 25339 1 111 1891732.17188000 . volume 25339 1 112 130853.00781200 . height 25339 1 112 1063327.31250000 . volume 25339 1 113 18653.32812500 . height 25339 1 113 148047.09472700 . volume 25339 1 114 22329.46289060 . height 25339 1 114 188221.78125000 . volume 25339 1 115 135673.04687500 . height 25339 1 115 1116734.98438000 . volume 25339 1 116 122934.09375000 . height 25339 1 116 1006988.23438000 . volume 25339 1 117 32390.58203120 . height 25339 1 117 265384.30468800 . volume 25339 1 118 145695.46875000 . height 25339 1 118 1201669.03906000 . volume 25339 1 119 142291.92187500 . height 25339 1 119 1166585.32031000 . volume 25339 1 120 61051.28125000 . height 25339 1 120 506491.48437500 . volume 25339 1 121 58245.88281250 . height 25339 1 121 481367.02734400 . volume 25339 1 122 39688.60156250 . height 25339 1 122 328700.94726600 . volume 25339 1 123 54924.96093750 . height 25339 1 123 457222.82031200 . volume 25339 1 124 105558.46875000 . height 25339 1 124 866306.22656200 . volume 25339 1 125 81718.86718750 . height 25339 1 125 671598.24218800 . volume 25339 1 126 161724.68750000 . height 25339 1 126 1311144.98438000 . volume 25339 1 127 130574.75781200 . height 25339 1 127 1058202.48438000 . volume 25339 1 128 103916.33593800 . height 25339 1 128 856009.97656200 . volume 25339 1 129 134112.64062500 . height 25339 1 129 1087768.44531000 . volume 25339 1 130 32110.76757810 . height 25339 1 130 268797.36523400 . volume 25339 1 131 14469.47949220 . height 25339 1 131 121999.14941400 . volume 25339 1 132 -92623.76562500 . height 25339 1 132 -762446.25781200 . volume 25339 1 133 -83059.40625000 . height 25339 1 133 -683253.92187500 . volume 25339 1 134 13837.84082030 . height 25339 1 134 116910.16113300 . volume 25339 1 135 9422.65429688 . height 25339 1 135 79489.46386720 . volume 25339 1 136 249651.31250000 . height 25339 1 136 2042892.85938000 . volume 25339 1 137 161668.87500000 . height 25339 1 137 1305204.35938000 . volume 25339 1 138 28701.03320310 . height 25339 1 138 240101.63085900 . volume 25339 1 139 125288.75000000 . height 25339 1 139 1030917.73438000 . volume 25339 1 140 108302.35156200 . height 25339 1 140 893509.59375000 . volume 25339 1 141 116614.70312500 . height 25339 1 141 961136.99218800 . volume 25339 1 142 152379.59375000 . height 25339 1 142 1249999.96094000 . volume 25339 1 143 95188.56250000 . height 25339 1 143 799049.90625000 . volume 25339 1 144 135977.64062500 . height 25339 1 144 1115688.42188000 . volume 25339 1 145 148525.70312500 . height 25339 1 145 1192945.64844000 . volume 25339 1 146 71595.75000000 . height 25339 1 146 589987.71875000 . volume 25339 1 147 151734.28125000 . height 25339 1 147 1222730.98438000 . volume 25339 1 148 146416.18750000 . height 25339 1 148 1202557.34375000 . volume 25339 1 149 393432.71875000 . height 25339 1 149 3101161.31250000 . volume 25339 1 150 149025.28125000 . height 25339 1 150 1217372.36719000 . volume 25339 1 151 87365.75000000 . height 25339 1 151 727828.44531200 . volume 25339 1 152 295146.59375000 . height 25339 1 152 2361010.04688000 . volume 25339 1 153 37850.27734380 . height 25339 1 153 309006.26953100 . volume 25339 1 154 149143.04687500 . height 25339 1 154 1215425.27344000 . volume 25339 1 155 257800.42187500 . height 25339 1 155 2071665.93750000 . volume 25339 1 156 189699.64062500 . height 25339 1 156 1526488.51562000 . volume 25339 1 157 120906.61718800 . height 25339 1 157 990601.02343800 . volume 25339 1 158 24718.38867190 . height 25339 1 158 205426.54882800 . volume 25339 1 159 175867.18750000 . height 25339 1 159 1423224.46875000 . volume 25339 1 160 78026.66406250 . height 25339 1 160 675881.32812500 . volume 25339 1 161 69203.38281250 . height 25339 1 161 571784.73437500 . volume 25339 1 162 37930.32812500 . height 25339 1 162 324178.27734400 . volume 25339 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 9.674 . 28.1852865416 . . . . . . . . . . . 25339 1 1 2 133.977 . 30.9980315344 . . . . . . . . . . . 25339 1 2 1 9.266 . 27.0837268620 . . . . . . . . . . . 25339 1 2 2 131.855 . 30.4651559358 . . . . . . . . . . . 25339 1 3 1 9.308 . 24.1121580840 . . . . . . . . . . . 25339 1 3 2 130.724 . 29.3782921639 . . . . . . . . . . . 25339 1 4 1 9.036 . 22.4589522180 . . . . . . . . . . . 25339 1 4 2 129.417 . 29.6565154072 . . . . . . . . . . . 25339 1 5 1 9.580 . 25.3911022264 . . . . . . . . . . . 25339 1 5 2 128.753 . 29.0054294133 . . . . . . . . . . . 25339 1 6 1 8.468 . 22.9521200101 . . . . . . . . . . . 25339 1 6 2 128.539 . 29.9901341308 . . . . . . . . . . . 25339 1 7 1 9.261 . 25.5420631184 . . . . . . . . . . . 25339 1 7 2 128.367 . 31.0187992777 . . . . . . . . . . . 25339 1 8 1 8.081 . 25.0226883422 . . . . . . . . . . . 25339 1 8 2 128.309 . 30.5862250938 . . . . . . . . . . . 25339 1 9 1 8.896 . 25.1708336078 . . . . . . . . . . . 25339 1 9 2 127.898 . 36.3296907781 . . . . . . . . . . . 25339 1 10 1 9.356 . 24.6705184564 . . . . . . . . . . . 25339 1 10 2 127.620 . 29.7151589759 . . . . . . . . . . . 25339 1 11 1 8.975 . 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. 56.3463153790 . . . . . . . . . . . 25339 1 131 2 110.406 . 33.2695020672 . . . . . . . . . . . 25339 1 132 1 7.402 . 24.6549242180 . . . . . . . . . . . 25339 1 132 2 101.465 . 34.8023661967 . . . . . . . . . . . 25339 1 133 1 6.933 . 26.8034637426 . . . . . . . . . . . 25339 1 133 2 100.417 . 33.2452971345 . . . . . . . . . . . 25339 1 134 1 7.920 . 36.3454050022 . . . . . . . . . . . 25339 1 134 2 111.522 . 36.3949640067 . . . . . . . . . . . 25339 1 135 1 9.669 . 56.5321467209 . . . . . . . . . . . 25339 1 135 2 111.285 . 34.0047268991 . . . . . . . . . . . 25339 1 136 1 8.527 . 23.7036756704 . . . . . . . . . . . 25339 1 136 2 120.402 . 34.5300273327 . . . . . . . . . . . 25339 1 137 1 8.748 . 24.2559716167 . . . . . . . . . . . 25339 1 137 2 125.699 . 29.7100421243 . . . . . . . . . . . 25339 1 138 1 8.314 . 23.3909245541 . . . . . . . . . . . 25339 1 138 2 126.940 . 44.8022626284 . . . . . . . . . . . 25339 1 139 1 7.419 . 30.5772694559 . . . . . . . . . . . 25339 1 139 2 119.826 . 31.7575836585 . . . . . . . . . . . 25339 1 140 1 7.386 . 32.2926356892 . . . . . . . . . . . 25339 1 140 2 119.619 . 32.8368388946 . . . . . . . . . . . 25339 1 141 1 7.862 . 68.0957077308 . . . . . . . . . . . 25339 1 141 2 119.823 . 31.5060125378 . . . . . . . . . . . 25339 1 142 1 7.902 . 29.1456317283 . . . . . . . . . . . 25339 1 142 2 119.729 . 32.0291772420 . . . . . . . . . . . 25339 1 143 1 8.870 . 39.2229751759 . . . . . . . . . . . 25339 1 143 2 116.218 . 34.7180605050 . . . . . . . . . . . 25339 1 144 1 8.845 . 27.2271072214 . . . . . . . . . . . 25339 1 144 2 115.936 . 32.7957261044 . . . . . . . . . . . 25339 1 145 1 9.414 . 23.4827572918 . . . . . . . . . . . 25339 1 145 2 125.871 . 29.0995794825 . . . . . . . . . . . 25339 1 146 1 8.226 . 30.6088911062 . . . . . . . . . . . 25339 1 146 2 117.501 . 31.5518417303 . . . . . . . . . . . 25339 1 147 1 8.540 . 24.4422361320 . . . . . . . . . . . 25339 1 147 2 118.338 . 28.8353719631 . . . . . . . . . . . 25339 1 148 1 8.456 . 26.0293830711 . . . . . . . . . . . 25339 1 148 2 119.820 . 35.2502130702 . . . . . . . . . . . 25339 1 149 1 8.494 . 19.9203401446 . . . . . . . . . . . 25339 1 149 2 119.652 . 28.0538729951 . . . . . . . . . . . 25339 1 150 1 8.022 . 27.2344711673 . . . . . . . . . . . 25339 1 150 2 119.904 . 30.7650924276 . . . . . . . . . . . 25339 1 151 1 7.925 . 32.3563121631 . . . . . . . . . . . 25339 1 151 2 120.170 . 55.7418243600 . . . . . . . . . . . 25339 1 152 1 8.576 . 21.4269168516 . . . . . . . . . . . 25339 1 152 2 123.857 . 29.5427433245 . . . . . . . . . . . 25339 1 153 1 8.065 . 122.2003513280 . . . . . . . . . . . 25339 1 153 2 119.872 . 33.4766678150 . . . . . . . . . . . 25339 1 154 1 8.853 . 27.5082366874 . . . . . . . . . . . 25339 1 154 2 123.429 . 31.2204477247 . . . . . . . . . . . 25339 1 155 1 8.831 . 22.8637526587 . . . . . . . . . . . 25339 1 155 2 124.219 . 29.7729571517 . . . . . . . . . . . 25339 1 156 1 8.874 . 22.9859075268 . . . . . . . . . . . 25339 1 156 2 124.390 . 30.3190809465 . . . . . . . . . . . 25339 1 157 1 8.816 . 60.1729682338 . . . . . . . . . . . 25339 1 157 2 123.589 . 31.2862103912 . . . . . . . . . . . 25339 1 158 1 9.047 . 52.3888441901 . . . . . . . . . . . 25339 1 158 2 125.655 . 29.1812711305 . . . . . . . . . . . 25339 1 159 1 8.331 . 22.7909795457 . . . . . . . . . . . 25339 1 159 2 113.134 . 33.1146616887 . . . . . . . . . . . 25339 1 160 1 8.340 . 28.2922803446 . . . . . . . . . . . 25339 1 160 2 113.477 . 67.9055149693 . . . . . . . . . . . 25339 1 161 1 8.656 . 33.7472316013 . . . . . . . . . . . 25339 1 161 2 122.211 . 30.4926089569 . . . . . . . . . . . 25339 1 162 1 7.742 . 45.9557876418 . . . . . . . . . . . 25339 1 162 2 109.783 . 67.3842190283 . . . . . . . . . . . 25339 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 9.674 . . 1 . 1 1 140 VAL H . . . . . . . . . . 148 . 25339 1 1 2 1 . . 133.977 . . 1 . 1 1 140 VAL N . . . . . . . . . . 149 . 25339 1 2 1 1 . . 9.266 . . 1 . 1 1 98 GLU H . . . . . . . . . . 158 . 25339 1 2 2 1 . . 131.855 . . 1 . 1 1 98 GLU N . . . . . . . . . . 159 . 25339 1 3 1 1 . . 9.308 . . 1 . 1 1 23 ARG H . . . . . . . . . . 237 . 25339 1 3 2 1 . . 130.724 . . 1 . 1 1 23 ARG N . . . . . . . . . . 238 . 25339 1 4 1 1 . . 9.036 . . 1 . 1 1 70 LYS H . . . . . . . . . . 40 . 25339 1 4 2 1 . . 129.417 . . 1 . 1 1 70 LYS N . . . . . . . . . . 283 . 25339 1 5 1 1 . . 9.580 . . 1 . 1 1 34 ILE H . . . . . . . . . . 108 . 25339 1 5 2 1 . . 128.753 . . 1 . 1 1 34 ILE N . . . . . . . . . . 109 . 25339 1 6 1 1 . . 8.468 . . 1 . 1 1 188 ALA H . . . . . . . . . . 101 . 25339 1 6 2 1 . . 128.539 . . 1 . 1 1 188 ALA N . . . . . . . . . . 102 . 25339 1 7 1 1 . . 9.261 . . 1 . 1 1 68 VAL H . . . . . . . . . . 84 . 25339 1 7 2 1 . . 128.367 . . 1 . 1 1 68 VAL N . . . . . . . . . . 85 . 25339 1 8 1 1 . . 8.081 . . 1 . 1 1 185 VAL H . . . . . . . . . . 97 . 25339 1 8 2 1 . . 128.309 . . 1 . 1 1 185 VAL N . . . . . . . . . . 98 . 25339 1 9 1 1 . . 8.896 . . 1 . 1 1 28 ASP H . . . . . . . . . . 93 . 25339 1 9 2 1 . . 127.898 . . 1 . 1 1 28 ASP N . . . . . . . . . . 94 . 25339 1 10 1 1 . . 9.356 . . 1 . 1 1 144 VAL H . . . . . . . . . . 152 . 25339 1 10 2 1 . . 127.620 . . 1 . 1 1 144 VAL N . . . . . . . . . . 153 . 25339 1 11 1 1 . . 8.975 . . 1 . 1 1 14 VAL H . . . . . . . . . . 257 . 25339 1 11 2 1 . . 127.251 . . 1 . 1 1 14 VAL N . . . . . . . . . . 258 . 25339 1 12 1 1 . . 8.742 . . 1 . 1 1 178 ASP H . . . . . . . . . . 211 . 25339 1 12 2 1 . . 126.841 . . 1 . 1 1 178 ASP N . . . . . . . . . . 212 . 25339 1 13 1 1 . . 8.809 . . 1 . 1 1 24 ILE H . . . . . . . . . . 239 . 25339 1 13 2 1 . . 126.516 . . 1 . 1 1 24 ILE N . . . . . . . . . . 240 . 25339 1 14 1 1 . . 8.761 . . 1 . 1 1 26 ASP H . . . . . . . . . . 243 . 25339 1 14 2 1 . . 126.429 . . 1 . 1 1 26 ASP N . . . . . . . . . . 244 . 25339 1 15 1 1 . . 7.521 . . 1 . 1 1 190 TRP H . . . . . . . . . . 284 . 25339 1 15 2 1 . . 125.749 . . 1 . 1 1 190 TRP N . . . . . . . . . . 105 . 25339 1 16 1 1 . . 8.501 . . 1 . 1 1 52 ALA H . . . . . . . . . . 130 . 25339 1 16 2 1 . . 125.684 . . 1 . 1 1 52 ALA N . . . . . . . . . . 131 . 25339 1 17 1 1 . . 8.911 . . 1 . 1 1 145 ILE H . . . . . . . . . . 154 . 25339 1 17 2 1 . . 125.370 . . 1 . 1 1 145 ILE N . . . . . . . . . . 155 . 25339 1 18 1 1 . . 8.599 . . 1 . 1 1 166 LEU H . . . . . . . . . . 17 . 25339 1 18 2 1 . . 125.360 . . 1 . 1 1 166 LEU N . . . . . . . . . . 18 . 25339 1 19 1 1 . . 9.783 . . 1 . 1 1 169 CYS H . . . . . . . . . . 247 . 25339 1 19 2 1 . . 125.200 . . 1 . 1 1 169 CYS N . . . . . . . . . . 248 . 25339 1 20 1 1 . . 8.295 . . 1 . 1 1 186 GLU H . . . . . . . . . . 271 . 25339 1 20 2 1 . . 125.170 . . 1 . 1 1 186 GLU N . . . . . . . . . . 272 . 25339 1 21 1 1 . . 8.743 . . 1 . 1 1 172 ILE H . . . . . . . . . . 249 . 25339 1 21 2 1 . . 125.077 . . 1 . 1 1 172 ILE N . . . . . . . . . . 250 . 25339 1 22 1 2 . . 8.471 . . 1 . 1 1 69 ILE H . . . . . . . . . . 288 . 25339 1 22 2 1 . . 125.082 . . 1 . 1 1 69 ILE N . . . . . . . . . . 86 . 25339 1 23 1 1 . . 9.188 . . 1 . 1 1 21 ASP H . . . . . . . . . . 235 . 25339 1 23 2 1 . . 124.953 . . 1 . 1 1 21 ASP N . . . . . . . . . . 236 . 25339 1 24 1 1 . . 8.835 . . 1 . 1 1 45 VAL H . . . . . . . . . . 116 . 25339 1 24 2 1 . . 124.905 . . 1 . 1 1 45 VAL N . . . . . . . . . . 117 . 25339 1 25 1 1 . . 10.160 . . 1 . 1 1 78 ASP H . . . . . . . . . . 217 . 25339 1 25 2 1 . . 124.858 . . 1 . 1 1 78 ASP N . . . . . . . . . . 218 . 25339 1 26 1 1 . . 8.336 . . 1 . 1 1 187 ILE H . . . . . . . . . . 99 . 25339 1 26 2 1 . . 124.760 . . 1 . 1 1 187 ILE N . . . . . . . . . . 100 . 25339 1 27 1 1 . . 7.257 . . 1 . 1 1 150 VAL H . . . . . . . . . . 245 . 25339 1 27 2 1 . . 124.580 . . 1 . 1 1 150 VAL N . . . . . . . . . . 246 . 25339 1 28 1 1 . . 8.733 . . 1 . 1 1 61 LYS H . . . . . . . . . . 71 . 25339 1 28 2 1 . . 124.423 . . 1 . 1 1 61 LYS N . . . . . . . . . . 72 . 25339 1 29 1 1 . . 8.473 . . 1 . 1 1 158 ALA H . . . . . . . . . . 187 . 25339 1 29 2 1 . . 124.200 . . 1 . 1 1 158 ALA N . . . . . . . . . . 188 . 25339 1 30 1 1 . . 8.348 . . 1 . 1 1 4 ALA H . . . . . . . . . . 201 . 25339 1 30 2 1 . . 124.044 . . 1 . 1 1 4 ALA N . . . . . . . . . . 202 . 25339 1 31 1 1 . . 10.174 . . 1 . 1 1 44 THR H . . . . . . . . . . 114 . 25339 1 31 2 1 . . 123.887 . . 1 . 1 1 44 THR N . . . . . . . . . . 115 . 25339 1 32 1 1 . . 7.079 . . 1 . 1 1 67 ARG H . . . . . . . . . . 82 . 25339 1 32 2 1 . . 123.821 . . 1 . 1 1 67 ARG N . . . . . . . . . . 83 . 25339 1 33 1 1 . . 9.264 . . 1 . 1 1 93 GLU H . . . . . . . . . . 176 . 25339 1 33 2 1 . . 123.678 . . 1 . 1 1 93 GLU N . . . . . . . . . . 177 . 25339 1 34 1 1 . . 8.206 . . 1 . 1 1 36 LEU H . . . . . . . . . . 43 . 25339 1 34 2 1 . . 123.563 . . 1 . 1 1 36 LEU N . . . . . . . . . . 44 . 25339 1 35 1 1 . . 7.790 . . 1 . 1 1 16 ALA H . . . . . . . . . . 261 . 25339 1 35 2 1 . . 123.295 . . 1 . 1 1 16 ALA N . . . . . . . . . . 262 . 25339 1 36 1 1 . . 8.167 . . 1 . 1 1 8 ARG H . . . . . . . . . . 267 . 25339 1 36 2 1 . . 122.904 . . 1 . 1 1 8 ARG N . . . . . . . . . . 268 . 25339 1 37 1 1 . . 7.657 . . 1 . 1 1 154 ILE H . . . . . . . . . . 231 . 25339 1 37 2 1 . . 122.548 . . 1 . 1 1 154 ILE N . . . . . . . . . . 232 . 25339 1 38 1 1 . . 7.459 . . 1 . 1 1 135 ASP H . . . . . . . . . . 3 . 25339 1 38 2 1 . . 122.396 . . 1 . 1 1 135 ASP N . . . . . . . . . . 4 . 25339 1 39 1 1 . . 7.556 . . 1 . 1 1 37 PHE H . . . . . . . . . . 45 . 25339 1 39 2 1 . . 121.962 . . 1 . 1 1 37 PHE N . . . . . . . . . . 46 . 25339 1 40 1 1 . . 8.981 . . 1 . 1 1 148 MET H . . . . . . . . . . 38 . 25339 1 40 2 1 . . 121.928 . . 1 . 1 1 148 MET N . . . . . . . . . . 39 . 25339 1 41 1 1 . . 8.129 . . 1 . 1 1 130 LYS H . . . . . . . . . . 29 . 25339 1 41 2 1 . . 121.929 . . 1 . 1 1 130 LYS N . . . . . . . . . . 30 . 25339 1 42 1 1 . . 10.783 . . 1 . 1 1 43 LYS H . . . . . . . . . . 112 . 25339 1 42 2 1 . . 121.721 . . 1 . 1 1 43 LYS N . . . . . . . . . . 113 . 25339 1 43 1 1 . . 8.411 . . 1 . 1 1 128 LEU H . . . . . . . . . . 25 . 25339 1 43 2 1 . . 121.723 . . 1 . 1 1 128 LEU N . . . . . . . . . . 26 . 25339 1 44 1 1 . . 8.505 . . 1 . 1 1 184 VAL H . . . . . . . . . . 89 . 25339 1 44 2 1 . . 121.522 . . 1 . 1 1 184 VAL N . . . . . . . . . . 90 . 25339 1 45 1 1 . . 8.353 . . 1 . 1 1 110 VAL H . . . . . . . . . . 136 . 25339 1 45 2 1 . . 121.302 . . 1 . 1 1 110 VAL N . . . . . . . . . . 137 . 25339 1 46 1 1 . . 8.457 . . 1 . 1 1 164 ARG H . . . . . . . . . . 197 . 25339 1 46 2 1 . . 121.223 . . 1 . 1 1 164 ARG N . . . . . . . . . . 198 . 25339 1 47 1 1 . . 8.164 . . 1 . 1 1 111 SER H . . . . . . . . . . 140 . 25339 1 47 2 1 . . 121.213 . . 1 . 1 1 111 SER N . . . . . . . . . . 141 . 25339 1 48 1 1 . . 7.927 . . 1 . 1 1 27 LYS H . . . . . . . . . . 91 . 25339 1 48 2 1 . . 120.705 . . 1 . 1 1 27 LYS N . . . . . . . . . . 92 . 25339 1 49 1 1 . . 8.647 . . 1 . 1 1 65 PHE H . . . . . . . . . . 79 . 25339 1 49 2 1 . . 120.646 . . 1 . 1 1 65 PHE N . . . . . . . . . . 286 . 25339 1 50 1 1 . . 7.693 . . 1 . 1 1 66 HIS H . . . . . . . . . . 80 . 25339 1 50 2 1 . . 120.625 . . 1 . 1 1 66 HIS N . . . . . . . . . . 81 . 25339 1 51 1 1 . . 8.323 . . 1 . 1 1 51 LEU H . . . . . . . . . . 128 . 25339 1 51 2 1 . . 120.465 . . 1 . 1 1 51 LEU N . . . . . . . . . . 129 . 25339 1 52 1 1 . . 9.291 . . 1 . 1 1 97 ASP H . . . . . . . . . . 156 . 25339 1 52 2 1 . . 120.361 . . 1 . 1 1 97 ASP N . . . . . . . . . . 157 . 25339 1 53 1 1 . . 8.107 . . 1 . 1 1 31 ARG H . . . . . . . . . . 106 . 25339 1 53 2 1 . . 119.975 . . 1 . 1 1 31 ARG N . . . . . . . . . . 107 . 25339 1 54 1 1 . . 8.622 . . 1 . 1 1 46 GLU H . . . . . . . . . . 118 . 25339 1 54 2 1 . . 119.725 . . 1 . 1 1 46 GLU N . . . . . . . . . . 119 . 25339 1 55 1 1 . . 9.080 . . 1 . 1 1 81 THR H . . . . . . . . . . 55 . 25339 1 55 2 1 . . 119.458 . . 1 . 1 1 81 THR N . . . . . . . . . . 56 . 25339 1 56 1 1 . . 7.718 . . 1 . 1 1 157 GLN H . . . . . . . . . . 185 . 25339 1 56 2 1 . . 119.491 . . 1 . 1 1 157 GLN N . . . . . . . . . . 186 . 25339 1 57 1 1 . . 9.292 . . 1 . 1 1 25 GLY H . . . . . . . . . . 241 . 25339 1 57 2 1 . . 119.224 . . 1 . 1 1 25 GLY N . . . . . . . . . . 242 . 25339 1 58 1 1 . . 7.271 . . 1 . 1 1 151 VAL H . . . . . . . . . . 225 . 25339 1 58 2 1 . . 119.235 . . 1 . 1 1 151 VAL N . . . . . . . . . . 226 . 25339 1 59 1 1 . . 7.145 . . 1 . 1 1 134 LEU H . . . . . . . . . . 170 . 25339 1 59 2 1 . . 119.216 . . 1 . 1 1 134 LEU N . . . . . . . . . . 171 . 25339 1 60 1 1 . . 8.722 . . 1 . 1 1 162 HIS H . . . . . . . . . . 275 . 25339 1 60 2 1 . . 119.147 . . 1 . 1 1 162 HIS N . . . . . . . . . . 276 . 25339 1 61 1 1 . . 8.398 . . 1 . 1 1 160 ASP H . . . . . . . . . . 191 . 25339 1 61 2 1 . . 119.118 . . 1 . 1 1 160 ASP N . . . . . . . . . . 192 . 25339 1 62 1 1 . . 8.676 . . 1 . 1 1 18 VAL H . . . . . . . . . . 265 . 25339 1 62 2 1 . . 118.997 . . 1 . 1 1 18 VAL N . . . . . . . . . . 266 . 25339 1 63 1 1 . . 7.347 . . 1 . 1 1 138 HIS H . . . . . . . . . . 15 . 25339 1 63 2 1 . . 118.819 . . 1 . 1 1 138 HIS N . . . . . . . . . . 16 . 25339 1 64 1 1 . . 8.754 . . 1 . 1 1 176 LYS H . . . . . . . . . . 209 . 25339 1 64 2 1 . . 118.761 . . 1 . 1 1 176 LYS N . . . . . . . . . . 210 . 25339 1 65 1 1 . . 5.759 . . 1 . 1 1 103 LYS H . . . . . . . . . . 61 . 25339 1 65 2 1 . . 118.507 . . 1 . 1 1 103 LYS N . . . . . . . . . . 62 . 25339 1 66 1 1 . . 9.722 . . 1 . 1 1 71 ASP H . . . . . . . . . . 324 . 25339 1 66 2 1 . . 118.419 . . 1 . 1 1 71 ASP N . . . . . . . . . . 323 . 25339 1 67 1 1 . . 9.308 . . 1 . 1 1 170 SER H . . . . . . . . . . 9 . 25339 1 67 2 1 . . 118.322 . . 1 . 1 1 170 SER N . . . . . . . . . . 10 . 25339 1 68 1 1 . . 6.901 . . 1 . 1 1 120 ASN H . . . . . . . . . . 5 . 25339 1 68 2 1 . . 118.269 . . 1 . 1 1 120 ASN N . . . . . . . . . . 6 . 25339 1 69 1 1 . . 7.695 . . 1 . 1 1 132 THR H . . . . . . . . . . 166 . 25339 1 69 2 1 . . 118.021 . . 1 . 1 1 132 THR N . . . . . . . . . . 167 . 25339 1 70 1 1 . . 7.252 . . 1 . 1 1 133 TRP H . . . . . . . . . . 168 . 25339 1 70 2 1 . . 117.976 . . 1 . 1 1 133 TRP N . . . . . . . . . . 169 . 25339 1 71 1 1 . . 9.075 . . 1 . 1 1 126 ILE H . . . . . . . . . . 21 . 25339 1 71 2 1 . . 117.948 . . 1 . 1 1 126 ILE N . . . . . . . . . . 22 . 25339 1 72 1 1 . . 7.946 . . 1 . 1 1 155 GLU H . . . . . . . . . . 233 . 25339 1 72 2 1 . . 117.919 . . 1 . 1 1 155 GLU N . . . . . . . . . . 234 . 25339 1 73 1 1 . . 8.158 . . 1 . 1 1 17 LYS H . . . . . . . . . . 263 . 25339 1 73 2 1 . . 117.879 . . 1 . 1 1 17 LYS N . . . . . . . . . . 264 . 25339 1 74 1 1 . . 9.215 . . 1 . 1 1 56 LYS H . . . . . . . . . . 138 . 25339 1 74 2 1 . . 117.480 . . 1 . 1 1 56 LYS N . . . . . . . . . . 139 . 25339 1 75 1 1 . . 7.663 . . 1 . 1 1 83 ASP H . . . . . . . . . . 59 . 25339 1 75 2 1 . . 117.344 . . 1 . 1 1 83 ASP N . . . . . . . . . . 60 . 25339 1 76 1 1 . . 9.268 . . 1 . 1 1 62 GLY H . . . . . . . . . . 73 . 25339 1 76 2 1 . . 117.164 . . 1 . 1 1 62 GLY N . . . . . . . . . . 74 . 25339 1 77 1 1 . . 7.983 . . 1 . 1 1 153 SER H . . . . . . . . . . 229 . 25339 1 77 2 1 . . 117.154 . . 1 . 1 1 153 SER N . . . . . . . . . . 230 . 25339 1 78 1 1 . . 9.617 . . 1 . 1 1 104 HIS H . . . . . . . . . . 63 . 25339 1 78 2 1 . . 116.567 . . 1 . 1 1 104 HIS N . . . . . . . . . . 64 . 25339 1 79 1 1 . . 8.638 . . 1 . 1 1 122 SER H . . . . . . . . . . 7 . 25339 1 79 2 1 . . 116.590 . . 1 . 1 1 122 SER N . . . . . . . . . . 8 . 25339 1 80 1 1 . . 8.298 . . 1 . 1 1 63 SER H . . . . . . . . . . 75 . 25339 1 80 2 1 . . 116.594 . . 1 . 1 1 63 SER N . . . . . . . . . . 76 . 25339 1 81 1 1 . . 9.191 . . 1 . 1 1 39 LYS H . . . . . . . . . . 49 . 25339 1 81 2 1 . . 116.547 . . 1 . 1 1 39 LYS N . . . . . . . . . . 50 . 25339 1 82 1 1 . . 5.997 . . 1 . 1 1 105 TYR H . . . . . . . . . . 65 . 25339 1 82 2 1 . . 116.552 . . 1 . 1 1 105 TYR N . . . . . . . . . . 66 . 25339 1 83 1 1 . . 10.001 . . 1 . 1 1 125 PHE H . . . . . . . . . . 19 . 25339 1 83 2 1 . . 116.488 . . 1 . 1 1 125 PHE N . . . . . . . . . . 20 . 25339 1 84 1 1 . . 7.069 . . 1 . 1 1 183 PHE H . . . . . . . . . . 41 . 25339 1 84 2 1 . . 116.479 . . 1 . 1 1 183 PHE N . . . . . . . . . . 42 . 25339 1 85 1 1 . . 7.321 . . 1 . 1 1 88 VAL H . . . . . . . . . . 205 . 25339 1 85 2 1 . . 115.919 . . 1 . 1 1 88 VAL N . . . . . . . . . . 206 . 25339 1 86 1 1 . . 7.543 . . 1 . 1 1 89 SER H . . . . . . . . . . 172 . 25339 1 86 2 1 . . 115.798 . . 1 . 1 1 89 SER N . . . . . . . . . . 173 . 25339 1 87 1 1 . . 9.529 . . 1 . 1 1 127 THR H . . . . . . . . . . 23 . 25339 1 87 2 1 . . 115.661 . . 1 . 1 1 127 THR N . . . . . . . . . . 24 . 25339 1 88 1 1 . . 8.941 . . 1 . 1 1 20 PHE H . . . . . . . . . . 251 . 25339 1 88 2 1 . . 115.625 . . 1 . 1 1 20 PHE N . . . . . . . . . . 252 . 25339 1 89 1 1 . . 7.681 . . 1 . 1 1 129 THR H . . . . . . . . . . 27 . 25339 1 89 2 1 . . 115.524 . . 1 . 1 1 129 THR N . . . . . . . . . . 28 . 25339 1 90 1 1 . . 8.354 . . 1 . 1 1 189 ASP H . . . . . . . . . . 103 . 25339 1 90 2 1 . . 115.436 . . 1 . 1 1 189 ASP N . . . . . . . . . . 104 . 25339 1 91 1 1 . . 8.446 . . 1 . 1 1 152 HIS H . . . . . . . . . . 227 . 25339 1 91 2 1 . . 115.264 . . 1 . 1 1 152 HIS N . . . . . . . . . . 228 . 25339 1 92 1 1 . . 6.399 . . 1 . 1 1 58 TYR H . . . . . . . . . . 67 . 25339 1 92 2 1 . . 115.031 . . 1 . 1 1 58 TYR N . . . . . . . . . . 68 . 25339 1 93 1 1 . . 9.336 . . 1 . 1 1 108 GLY H . . . . . . . . . . 273 . 25339 1 93 2 1 . . 114.907 . . 1 . 1 1 108 GLY N . . . . . . . . . . 274 . 25339 1 94 1 1 . . 8.547 . . 1 . 1 1 64 LYS H . . . . . . . . . . 77 . 25339 1 94 2 1 . . 114.891 . . 1 . 1 1 64 LYS N . . . . . . . . . . 78 . 25339 1 95 1 1 . . 8.498 . . 1 . 1 1 73 MET H . . . . . . . . . . 13 . 25339 1 95 2 1 . . 114.816 . . 1 . 1 1 73 MET N . . . . . . . . . . 14 . 25339 1 96 1 1 . . 7.230 . . 1 . 1 1 47 ASN H . . . . . . . . . . 120 . 25339 1 96 2 1 . . 114.754 . . 1 . 1 1 47 ASN N . . . . . . . . . . 121 . 25339 1 97 1 1 . . 7.828 . . 1 . 1 1 137 LYS H . . . . . . . . . . 164 . 25339 1 97 2 1 . . 114.696 . . 1 . 1 1 137 LYS N . . . . . . . . . . 165 . 25339 1 98 1 1 . . 7.741 . . 1 . 1 1 173 ASN H . . . . . . . . . . 213 . 25339 1 98 2 1 . . 114.523 . . 1 . 1 1 173 ASN N . . . . . . . . . . 214 . 25339 1 99 1 1 . . 8.300 . . 1 . 1 1 72 PHE H . . . . . . . . . . 281 . 25339 1 99 2 1 . . 114.251 . . 1 . 1 1 72 PHE N . . . . . . . . . . 282 . 25339 1 100 1 1 . . 7.858 . . 1 . 1 1 102 LEU H . . . . . . . . . . 87 . 25339 1 100 2 1 . . 114.136 . . 1 . 1 1 102 LEU N . . . . . . . . . . 88 . 25339 1 101 1 1 . . 9.372 . . 1 . 1 1 35 GLY H . . . . . . . . . . 110 . 25339 1 101 2 1 . . 114.019 . . 1 . 1 1 35 GLY N . . . . . . . . . . 111 . 25339 1 102 1 1 . . 7.306 . . 1 . 1 1 60 TYR H . . . . . . . . . . 36 . 25339 1 102 2 1 . . 113.892 . . 1 . 1 1 60 TYR N . . . . . . . . . . 37 . 25339 1 103 1 1 . . 7.738 . . 1 . 1 1 181 THR H . . . . . . . . . . 181 . 25339 1 103 2 1 . . 113.724 . . 1 . 1 1 181 THR N . . . . . . . . . . 182 . 25339 1 104 1 1 . . 8.530 . . 1 . 1 1 15 THR H . . . . . . . . . . 259 . 25339 1 104 2 1 . . 113.618 . . 1 . 1 1 15 THR N . . . . . . . . . . 260 . 25339 1 105 1 1 . . 8.187 . . 1 . 1 1 85 THR H . . . . . . . . . . 195 . 25339 1 105 2 1 . . 113.451 . . 1 . 1 1 85 THR N . . . . . . . . . . 196 . 25339 1 106 1 1 . . 8.644 . . 1 . 1 1 86 GLY H . . . . . . . . . . 199 . 25339 1 106 2 1 . . 113.348 . . 1 . 1 1 86 GLY N . . . . . . . . . . 200 . 25339 1 107 1 1 . . 7.089 . . 1 . 1 1 156 LEU H . . . . . . . . . . 183 . 25339 1 107 2 1 . . 113.026 . . 1 . 1 1 156 LEU N . . . . . . . . . . 184 . 25339 1 108 1 1 . . 9.607 . . 1 . 1 1 136 GLY H . . . . . . . . . . 162 . 25339 1 108 2 1 . . 111.966 . . 1 . 1 1 136 GLY N . . . . . . . . . . 163 . 25339 1 109 1 1 . . 8.196 . . 1 . 1 1 13 SER H . . . . . . . . . . 255 . 25339 1 109 2 1 . . 111.845 . . 1 . 1 1 13 SER N . . . . . . . . . . 256 . 25339 1 110 1 1 . . 8.513 . . 1 . 1 1 159 THR H . . . . . . . . . . 189 . 25339 1 110 2 1 . . 111.776 . . 1 . 1 1 159 THR N . . . . . . . . . . 190 . 25339 1 111 1 1 . . 8.668 . . 1 . 1 1 3 GLY H . . . . . . . . . . 277 . 25339 1 111 2 1 . . 111.502 . . 1 . 1 1 3 GLY N . . . . . . . . . . 278 . 25339 1 112 1 1 . . 7.428 . . 1 . 1 1 41 VAL H . . . . . . . . . . 53 . 25339 1 112 2 1 . . 111.417 . . 1 . 1 1 41 VAL N . . . . . . . . . . 54 . 25339 1 113 1 1 . . 8.193 . . 1 . 1 1 116 GLY H . . . . . . . . . . 144 . 25339 1 113 2 1 . . 110.770 . . 1 . 1 1 116 GLY N . . . . . . . . . . 145 . 25339 1 114 1 1 . . 10.247 . . 1 . 1 1 119 THR H . . . . . . . . . . 1 . 25339 1 114 2 1 . . 110.507 . . 1 . 1 1 119 THR N . . . . . . . . . . 2 . 25339 1 115 1 1 . . 8.413 . . 1 . 1 1 147 GLY H . . . . . . . . . . 34 . 25339 1 115 2 1 . . 109.476 . . 1 . 1 1 147 GLY N . . . . . . . . . . 35 . 25339 1 116 1 1 . . 7.757 . . 1 . 1 1 54 GLY H . . . . . . . . . . 134 . 25339 1 116 2 1 . . 109.446 . . 1 . 1 1 54 GLY N . . . . . . . . . . 135 . 25339 1 117 1 1 . . 8.360 . . 1 . 1 1 6 GLY H . . . . . . . . . . 269 . 25339 1 117 2 1 . . 109.311 . . 1 . 1 1 6 GLY N . . . . . . . . . . 270 . 25339 1 118 1 1 . . 7.956 . . 1 . 1 1 38 GLY H . . . . . . . . . . 47 . 25339 1 118 2 1 . . 108.801 . . 1 . 1 1 38 GLY N . . . . . . . . . . 48 . 25339 1 119 1 1 . . 7.692 . . 1 . 1 1 11 GLY H . . . . . . . . . . 221 . 25339 1 119 2 1 . . 108.728 . . 1 . 1 1 11 GLY N . . . . . . . . . . 222 . 25339 1 120 1 1 . . 7.526 . . 1 . 1 1 142 GLY H . . . . . . . . . . 150 . 25339 1 120 2 1 . . 108.611 . . 1 . 1 1 142 GLY N . . . . . . . . . . 151 . 25339 1 121 1 1 . . 7.752 . . 1 . 1 1 30 GLY H . . . . . . . . . . 95 . 25339 1 121 2 1 . . 108.096 . . 1 . 1 1 30 GLY N . . . . . . . . . . 96 . 25339 1 122 1 1 . . 8.527 . . 1 . 1 1 82 GLY H . . . . . . . . . . 57 . 25339 1 122 2 1 . . 107.986 . . 1 . 1 1 82 GLY N . . . . . . . . . . 58 . 25339 1 123 1 1 . . 8.274 . . 1 . 1 1 87 GLY H . . . . . . . . . . 203 . 25339 1 123 2 1 . . 107.048 . . 1 . 1 1 87 GLY N . . . . . . . . . . 204 . 25339 1 124 1 1 . . 8.702 . . 1 . 1 1 53 THR H . . . . . . . . . . 132 . 25339 1 124 2 1 . . 106.988 . . 1 . 1 1 53 THR N . . . . . . . . . . 133 . 25339 1 125 1 1 . . 7.135 . . 1 . 1 1 92 GLY H . . . . . . . . . . 174 . 25339 1 125 2 1 . . 106.447 . . 1 . 1 1 92 GLY N . . . . . . . . . . 175 . 25339 1 126 1 1 . . 6.981 . . 1 . 1 1 99 ASN H . . . . . . . . . . 160 . 25339 1 126 2 1 . . 106.415 . . 1 . 1 1 99 ASN N . . . . . . . . . . 161 . 25339 1 127 1 1 . . 7.903 . . 1 . 1 1 57 GLY H . . . . . . . . . . 146 . 25339 1 127 2 1 . . 105.660 . . 1 . 1 1 57 GLY N . . . . . . . . . . 147 . 25339 1 128 1 1 . . 6.690 . . 1 . 1 1 175 GLY H . . . . . . . . . . 207 . 25339 1 128 2 1 . . 105.502 . . 1 . 1 1 175 GLY N . . . . . . . . . . 208 . 25339 1 129 1 1 . . 8.651 . . 1 . 1 1 59 GLY H . . . . . . . . . . 69 . 25339 1 129 2 1 . . 105.188 . . 1 . 1 1 59 GLY N . . . . . . . . . . 70 . 25339 1 130 1 1 . . 8.554 . . 1 . 1 1 161 GLY H . . . . . . . . . . 279 . 25339 1 130 2 1 . . 104.899 . . 1 . 1 1 161 GLY N . . . . . . . . . . 280 . 25339 1 131 1 1 . . 9.419 . . 1 . 1 1 121 GLY H . . . . . . . . . . 11 . 25339 1 131 2 1 . . 110.406 . . 1 . 1 1 121 GLY N . . . . . . . . . . 12 . 25339 1 132 1 1 . . 7.402 . . 1 . 1 1 94 THR H . . . . . . . . . . 178 . 25339 1 132 2 1 . . 101.465 . . 1 . 1 1 94 THR N . . . . . . . . . . 290 . 25339 1 133 1 1 . . 6.933 . . 1 . 1 1 106 GLY H . . . . . . . . . . 285 . 25339 1 133 2 1 . . 100.417 . . 1 . 1 1 106 GLY N . . . . . . . . . . 289 . 25339 1 134 1 1 . . 7.920 . . 1 . 1 1 74 ILE H . . . . . . . . . . 215 . 25339 1 134 2 1 . . 111.522 . . 1 . 1 1 74 ILE N . . . . . . . . . . 216 . 25339 1 135 1 1 . . 9.669 . . 1 . 1 1 84 GLY H . . . . . . . . . . 193 . 25339 1 135 2 1 . . 111.285 . . 1 . 1 1 84 GLY N . . . . . . . . . . 194 . 25339 1 136 1 1 . . 8.527 . . 1 . 1 1 168 ASN H . . . . . . . . . . 253 . 25339 1 136 2 1 . . 120.402 . . 1 . 1 1 168 ASN N . . . . . . . . . . 254 . 25339 1 137 1 1 . . 8.748 . . 1 . 1 1 33 VAL H . . . . . . . . . . 219 . 25339 1 137 2 1 . . 125.699 . . 1 . 1 1 33 VAL N . . . . . . . . . . 220 . 25339 1 138 1 1 . . 8.314 . . 1 . 1 1 113 ALA H . . . . . . . . . . 142 . 25339 1 138 2 1 . . 126.940 . . 1 . 1 1 113 ALA N . . . . . . . . . . 143 . 25339 1 139 1 1 . . 7.419 . . 1 . 1 1 48 PHE H . . . . . . . . . . 122 . 25339 1 139 2 1 . . 119.826 . . 1 . 1 1 48 PHE N . . . . . . . . . . 123 . 25339 1 140 1 2 . . 7.386 . . 1 . 1 1 40 VAL H . . . . . . . . . . 51 . 25339 1 140 2 1 . . 119.619 . . 1 . 1 1 40 VAL N . . . . . . . . . . 52 . 25339 1 141 1 1 . . 7.862 . . 1 . 1 1 146 ASP H . . . . . . . . . . 33 . 25339 1 141 2 1 . . 119.823 . . 1 . 1 1 146 ASP N . . . . . . . . . . 287 . 25339 1 142 1 1 . . 7.902 . . 1 . 1 1 50 ALA H . . . . . . . . . . 126 . 25339 1 142 2 1 . . 119.729 . . 1 . 1 1 50 ALA N . . . . . . . . . . 127 . 25339 1 143 1 1 . . 8.870 . . 1 . 1 1 95 PHE H . . . . . . . . . . 179 . 25339 1 143 2 1 . . 116.218 . . 1 . 1 1 95 PHE N . . . . . . . . . . 180 . 25339 1 144 1 1 . . 8.845 . . 1 . 1 1 49 VAL H . . . . . . . . . . 124 . 25339 1 144 2 1 . . 115.936 . . 1 . 1 1 49 VAL N . . . . . . . . . . 125 . 25339 1 145 1 1 . . 9.414 . . 1 . 1 1 32 ILE H . . . . . . . . . . 292 . 25339 1 145 2 1 . . 125.871 . . 1 . 1 1 32 ILE N . . . . . . . . . . 291 . 25339 1 146 1 1 . . 8.226 . . 1 . 1 1 141 PHE H . . . . . . . . . . 294 . 25339 1 146 2 1 . . 117.501 . . 1 . 1 1 141 PHE N . . . . . . . . . . 293 . 25339 1 147 1 1 . . 8.540 . . 1 . 1 1 143 LYS H . . . . . . . . . . 300 . 25339 1 147 2 1 . . 118.338 . . 1 . 1 1 143 LYS N . . . . . . . . . . 299 . 25339 1 148 1 1 . . 8.456 . . 1 . 1 1 101 LYS H . . . . . . . . . . 304 . 25339 1 148 2 1 . . 119.820 . . 1 . 1 1 101 LYS N . . . . . . . . . . 303 . 25339 1 149 1 1 . . 8.494 . . 1 . 1 1 5 GLU H . . . . . . . . . . 302 . 25339 1 149 2 1 . . 119.652 . . 1 . 1 1 5 GLU N . . . . . . . . . . 301 . 25339 1 150 1 1 . . 8.022 . . 1 . 1 1 55 GLU H . . . . . . . . . . 306 . 25339 1 150 2 1 . . 119.904 . . 1 . 1 1 55 GLU N . . . . . . . . . . 305 . 25339 1 151 1 1 . . 7.925 . . 1 . 1 1 91 TYR H . . . . . . . . . . 308 . 25339 1 151 2 1 . . 120.170 . . 1 . 1 1 91 TYR N . . . . . . . . . . 307 . 25339 1 152 1 1 . . 8.576 . . 1 . 1 1 115 ALA H . . . . . . . . . . 318 . 25339 1 152 2 1 . . 123.857 . . 1 . 1 1 115 ALA N . . . . . . . . . . 317 . 25339 1 153 1 1 . . 8.065 . . 1 . 1 1 7 PHE H . . . . . . . . . . 310 . 25339 1 153 2 1 . . 119.872 . . 1 . 1 1 7 PHE N . . . . . . . . . . 309 . 25339 1 154 1 1 . . 8.853 . . 1 . 1 1 171 ILE H . . . . . . . . . . 314 . 25339 1 154 2 1 . . 123.429 . . 1 . 1 1 171 ILE N . . . . . . . . . . 313 . 25339 1 155 1 2 . . 8.831 . . 1 . 1 1 179 VAL H . . . . . . . . . . 350 . 25339 1 155 2 2 . . 124.219 . . 1 . 1 1 179 VAL N . . . . . . . . . . 349 . 25339 1 156 1 1 . . 8.874 . . 1 . 1 1 107 ILE H . . . . . . . . . . 348 . 25339 1 156 2 1 . . 124.390 . . 1 . 1 1 107 ILE N . . . . . . . . . . 347 . 25339 1 157 1 1 . . 8.816 . . 1 . 1 1 22 VAL H . . . . . . . . . . 315 . 25339 1 157 2 1 . . 123.589 . . 1 . 1 1 22 VAL N . . . . . . . . . . 316 . 25339 1 158 1 1 . . 9.047 . . 1 . 1 1 75 GLN H . . . . . . . . . . 326 . 25339 1 158 2 1 . . 125.655 . . 1 . 1 1 75 GLN N . . . . . . . . . . 325 . 25339 1 159 1 1 . . 8.331 . . 1 . 1 1 100 PHE H . . . . . . . . . . 334 . 25339 1 159 2 1 . . 113.134 . . 1 . 1 1 100 PHE N . . . . . . . . . . 333 . 25339 1 160 1 1 . . 8.340 . . 1 . 1 1 163 ASP H . . . . . . . . . . 332 . 25339 1 160 2 1 . . 113.477 . . 1 . 1 1 163 ASP N . . . . . . . . . . 331 . 25339 1 161 1 1 . . 8.656 . . 1 . 1 1 10 ARG H . . . . . . . . . . 346 . 25339 1 161 2 1 . . 122.211 . . 1 . 1 1 10 ARG N . . . . . . . . . . 345 . 25339 1 162 1 1 . . 7.742 . . 1 . 1 1 76 GLY H . . . . . . . . . . 31 . 25339 1 162 2 1 . . 109.783 . . 1 . 1 1 76 GLY N . . . . . . . . . . 32 . 25339 1 stop_ save_ save_peak_list_1_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2 _Spectral_peak_list.Entry_ID 25339 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $CypC-GSFGPDLRAGD _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 5855.12353516 . . . . . . . 25339 2 2 . . H 1 1H . . 11000.00000000 . . . . . . . 25339 2 3 . . N 15 15N . . 2454.43896484 . . . . . . . 25339 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 25339 2 2 1.0 . . 25339 2 3 1.0 . . 25339 2 4 1.0 . . 25339 2 5 1.0 . . 25339 2 6 1.0 . . 25339 2 7 1.0 . . 25339 2 8 1.0 . . 25339 2 9 1.0 . . 25339 2 10 1.0 . . 25339 2 11 1.0 . . 25339 2 12 1.0 . . 25339 2 13 1.0 . . 25339 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 110208.1250000 . height 25339 2 1 2112807.6796900 . volume 25339 2 2 312976.9687500 . height 25339 2 2 5668152.8593800 . volume 25339 2 3 413540.6250000 . height 25339 2 3 7213332.6562500 . volume 25339 2 4 16309.0263672 . height 25339 2 4 171421.0305180 . volume 25339 2 5 63710.8593750 . height 25339 2 5 1146447.0664100 . volume 25339 2 6 24807.0859375 . height 25339 2 6 337438.8569340 . volume 25339 2 7 48932.6992188 . height 25339 2 7 834832.9941410 . volume 25339 2 8 113619.9140620 . height 25339 2 8 2072567.1328100 . volume 25339 2 9 63279.7460938 . height 25339 2 9 1113788.4257800 . volume 25339 2 10 78478.8671875 . height 25339 2 10 1417694.8886700 . volume 25339 2 11 56929.3398438 . height 25339 2 11 872553.2988280 . volume 25339 2 12 36277.8398438 . height 25339 2 12 692752.2216800 . volume 25339 2 13 43335.9921875 . height 25339 2 13 753296.5556640 . volume 25339 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.357 . 40.3451573878 . . . . . . . . . . . 25339 2 1 2 8.736 . 191.9497251510 . . . . . . . . . . . 25339 2 1 3 123.143 . 85.1118700732 . . . . . . . . . . . 25339 2 2 1 8.192 . 25.1877565843 . . . . . . . . . . . 25339 2 2 2 8.592 . 176.9330203530 . . . . . . . . . . . 25339 2 2 3 117.086 . 85.6720860794 . . . . . . . . . . . 25339 2 3 1 8.300 . 23.1280151951 . . . . . . . . . . . 25339 2 3 2 7.750 . 174.0760207180 . . . . . . . . . . . 25339 2 3 3 117.949 . 87.7074530420 . . . . . . . . . . . 25339 2 4 1 8.305 . 15.3958629769 . . . . . . . . . . . 25339 2 4 2 9.991 . 118.1729957460 . . . . . . . . . . . 25339 2 4 3 118.294 . 85.1372280400 . . . . . . . . . . . 25339 2 5 1 8.676 . 22.6651689965 . . . . . . . . . . . 25339 2 5 2 8.156 . 337.3337984090 . . . . . . . . . . . 25339 2 5 3 119.027 . 88.2667912724 . . . . . . . . . . . 25339 2 6 1 8.109 . 14.1112860916 . . . . . . . . . . . 25339 2 6 2 9.422 . 169.8496118190 . . . . . . . . . . . 25339 2 6 3 120.068 . 86.0932233904 . . . . . . . . . . . 25339 2 7 1 8.337 . 28.8894432387 . . . . . . . . . . . 25339 2 7 2 6.975 . 166.6878163810 . . . . . . . . . . . 25339 2 7 3 123.246 . 83.6651005335 . . . . . . . . . . . 25339 2 8 1 7.968 . 25.1275454270 . . . . . . . . . . . 25339 2 8 2 9.084 . 196.2511241440 . . . . . . . . . . . 25339 2 8 3 108.860 . 85.2692845290 . . . . . . . . . . . 25339 2 9 1 8.628 . 26.2691749604 . . . . . . . . . . . 25339 2 9 2 7.925 . 176.6128987070 . . . . . . . . . . . 25339 2 9 3 112.117 . 80.8164255493 . . . . . . . . . . . 25339 2 10 1 8.626 . 26.2308390796 . . . . . . . . . . . 25339 2 10 2 8.984 . 169.1053658720 . . . . . . . . . . . 25339 2 10 3 111.945 . 79.4348064783 . . . . . . . . . . . 25339 2 11 1 8.591 . 15.6503525807 . . . . . . . . . . . 25339 2 11 2 8.326 . 428.1688481570 . . . . . . . . . . . 25339 2 11 3 124.072 . 97.4638332587 . . . . . . . . . . . 25339 2 12 1 8.538 . 28.1731903707 . . . . . . . . . . . 25339 2 12 2 10.236 . 145.3987844290 . . . . . . . . . . . 25339 2 12 3 120.233 . 83.8829839871 . . . . . . . . . . . 25339 2 13 1 8.171 . 22.8304247988 . . . . . . . . . . . 25339 2 13 2 6.671 . 206.4953446390 . . . . . . . . . . . 25339 2 13 3 117.064 . 81.3184157624 . . . . . . . . . . . 25339 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.357 . . 1 . 1 1 177 ILE H . . . . . . . . . . 322 . 25339 2 1 2 1 . . 8.736 . . 1 . 1 1 176 LYS H . . . . . . . . . . 209 . 25339 2 1 3 1 . . 123.143 . . 1 . 1 1 177 ILE N . . . . . . . . . . 321 . 25339 2 2 1 1 . . 8.192 . . 1 . 1 1 167 THR H . . . . . . . . . . 342 . 25339 2 2 2 1 . . 8.592 . . 1 . 1 1 166 LEU H . . . . . . . . . . 17 . 25339 2 2 3 1 . . 117.086 . . 1 . 1 1 167 THR N . . . . . . . . . . 341 . 25339 2 3 1 1 . . 8.300 . . 1 . 1 1 29 VAL H . . . . . . . . . . 296 . 25339 2 3 2 1 . . 7.750 . . 1 . 1 1 30 GLY H . . . . . . . . . . 95 . 25339 2 3 3 1 . . 117.949 . . 1 . 1 1 29 VAL N . . . . . . . . . . 295 . 25339 2 4 1 1 . . 8.305 . . 1 . 1 1 124 PHE H . . . . . . . . . . 298 . 25339 2 4 2 1 . . 9.991 . . 1 . 1 1 125 PHE H . . . . . . . . . . 19 . 25339 2 4 3 1 . . 118.294 . . 1 . 1 1 124 PHE N . . . . . . . . . . 297 . 25339 2 5 1 1 . . 8.676 . . 1 . 1 1 18 VAL H . . . . . . . . . . 265 . 25339 2 5 2 1 . . 8.156 . . 1 . 1 1 19 PHE H . . . . . . . . . . 311 . 25339 2 5 3 1 . . 119.027 . . 1 . 1 1 18 VAL N . . . . . . . . . . 266 . 25339 2 6 1 1 . . 8.109 . . 1 . 1 1 19 PHE H . . . . . . . . . . 311 . 25339 2 6 2 1 . . 9.422 . . 1 . 1 1 32 ILE H . . . . . . . . . . 292 . 25339 2 6 3 1 . . 120.068 . . 1 . 1 1 19 PHE N . . . . . . . . . . 312 . 25339 2 7 1 1 . . 8.337 . . 1 . 1 1 109 TRP H . . . . . . . . . . 320 . 25339 2 7 2 2 . . 6.975 . . 1 . 1 1 106 GLY H . . . . . . . . . . 285 . 25339 2 7 3 1 . . 123.246 . . 1 . 1 1 109 TRP N . . . . . . . . . . 319 . 25339 2 8 1 1 . . 7.968 . . 1 . 1 1 80 THR H . . . . . . . . . . 328 . 25339 2 8 2 1 . . 9.084 . . 1 . 1 1 81 THR H . . . . . . . . . . 55 . 25339 2 8 3 1 . . 108.860 . . 1 . 1 1 80 THR N . . . . . . . . . . 327 . 25339 2 9 1 1 . . 8.628 . . 1 . 1 1 90 ILE H . . . . . . . . . . 330 . 25339 2 9 2 1 . . 7.925 . . 1 . 1 1 91 TYR H . . . . . . . . . . 308 . 25339 2 9 3 1 . . 112.117 . . 1 . 1 1 90 ILE N . . . . . . . . . . 329 . 25339 2 10 1 1 . . 8.626 . . 1 . 1 1 149 THR H . . . . . . . . . . 344 . 25339 2 10 2 1 . . 8.984 . . 1 . 1 1 148 MET H . . . . . . . . . . 38 . 25339 2 10 3 1 . . 111.945 . . 1 . 1 1 149 THR N . . . . . . . . . . 343 . 25339 2 11 1 1 . . 8.591 . . 1 . 1 1 112 MET H . . . . . . . . . . 336 . 25339 2 11 2 1 . . 8.326 . . 1 . 1 1 113 ALA H . . . . . . . . . . 142 . 25339 2 11 3 1 . . 124.072 . . 1 . 1 1 112 MET N . . . . . . . . . . 335 . 25339 2 12 1 1 . . 8.538 . . 1 . 1 1 118 ASP H . . . . . . . . . . 338 . 25339 2 12 2 2 . . 10.236 . . 1 . 1 1 119 THR H . . . . . . . . . . 1 . 25339 2 12 3 1 . . 120.233 . . 1 . 1 1 118 ASP N . . . . . . . . . . 337 . 25339 2 13 1 1 . . 8.171 . . 1 . 1 1 174 SER H . . . . . . . . . . 340 . 25339 2 13 2 1 . . 6.671 . . 1 . 1 1 175 GLY H . . . . . . . . . . 207 . 25339 2 13 3 1 . . 117.064 . . 1 . 1 1 174 SER N . . . . . . . . . . 339 . 25339 2 stop_ save_