data_52661 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52661 _Entry.Title ; Chemical shift assignment of human recombinant DN-CyPD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-10-25 _Entry.Accession_date 2024-10-25 _Entry.Last_release_date 2024-10-25 _Entry.Original_release_date 2024-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Assignment of human recombinant mature DN-CyPD, i.e., a truncated form of the translated ppif gene product without the mitochondrial targeting sequence and the N-terminal residues 1-13. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gabriele Coluccino . . . 0009-0007-9173-7807 52661 2 Alessandra Corazza . . . 0000-0003-2272-1928 52661 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Udine' . 52661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 52661 '15N chemical shifts' 152 52661 '1H chemical shifts' 152 52661 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-12-11 . original BMRB . 52661 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52665 'Chemical shift assignment of human recombinant mature CyPD (FL-CyPD)' 52661 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52661 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39528709 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; N-terminal cleavage of cyclophilin D boosts its ability to bind F-ATP synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 1486 _Citation.Page_last 1486 _Citation.Year 2024 _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 Gabriele Coluccino G. . . . 52661 1 2 Alessandro Negro A. . . . 52661 1 3 Antonio Filippi A. . . . 52661 1 4 Camilla Bean C. . . . 52661 1 5 'Valentina Pia' Muraca V. P. . . 52661 1 6 Clarissa Gissi C. . . . 52661 1 7 Diana Canetti D. . . . 52661 1 8 'Maria Chiara' Mimmi M. C. . . 52661 1 9 Elisa Zamprogno E. . . . 52661 1 10 Francesco Ciscato F. . . . 52661 1 11 Laura Acquasaliente L. . . . 52661 1 12 Vincenzo 'De Filippis' V. . . . 52661 1 13 Marina Comelli M. . . . 52661 1 14 Michela Carraro M. . . . 52661 1 15 Andrea Rasola A. . . . 52661 1 16 Christoph Gerle C. . . . 52661 1 17 Paolo Bernardi P. . . . 52661 1 18 Alessandra Corazza A. . . . 52661 1 19 Giovanna Lippe G. . . . 52661 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CyPD 52661 1 CyPF 52661 1 'Cyclophilin D' 52661 1 DN-CyPD 52661 1 FL-CyPD 52661 1 'Mitochondrial PPIase' 52661 1 Ppif 52661 1 mPTP 52661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52661 _Assembly.ID 1 _Assembly.Name DN-CyPD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17643.13 _Assembly.Enzyme_commission_number 5.2.1.8 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CyPD 1 $entity_1 . . yes native no no . . . 52661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52661 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SGNPLVYLDVDANGKPLGRV VLELKADVVPKTAENFRALC TGEKGFGYKGSTFHRVIPSF MCQAGDFTNHNGTGGKSIYG SRFPDENFTLKHVGPGVLSM ANAGPNTNGSQFFICTIKTD WLDGKHVVFGHVKEGMDVVK KIESFGSKSGRTSKKIVITD CGQLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'From 14 to 178' _Entity.Polymer_author_seq_details 'Residue numbering was kept the same as FL-CyPD, i.e., parental protein from which DN-CyPD is generated.' _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 165 _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 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17643.13 _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 14 SER . 52661 1 2 15 GLY . 52661 1 3 16 ASN . 52661 1 4 17 PRO . 52661 1 5 18 LEU . 52661 1 6 19 VAL . 52661 1 7 20 TYR . 52661 1 8 21 LEU . 52661 1 9 22 ASP . 52661 1 10 23 VAL . 52661 1 11 24 ASP . 52661 1 12 25 ALA . 52661 1 13 26 ASN . 52661 1 14 27 GLY . 52661 1 15 28 LYS . 52661 1 16 29 PRO . 52661 1 17 30 LEU . 52661 1 18 31 GLY . 52661 1 19 32 ARG . 52661 1 20 33 VAL . 52661 1 21 34 VAL . 52661 1 22 35 LEU . 52661 1 23 36 GLU . 52661 1 24 37 LEU . 52661 1 25 38 LYS . 52661 1 26 39 ALA . 52661 1 27 40 ASP . 52661 1 28 41 VAL . 52661 1 29 42 VAL . 52661 1 30 43 PRO . 52661 1 31 44 LYS . 52661 1 32 45 THR . 52661 1 33 46 ALA . 52661 1 34 47 GLU . 52661 1 35 48 ASN . 52661 1 36 49 PHE . 52661 1 37 50 ARG . 52661 1 38 51 ALA . 52661 1 39 52 LEU . 52661 1 40 53 CYS . 52661 1 41 54 THR . 52661 1 42 55 GLY . 52661 1 43 56 GLU . 52661 1 44 57 LYS . 52661 1 45 58 GLY . 52661 1 46 59 PHE . 52661 1 47 60 GLY . 52661 1 48 61 TYR . 52661 1 49 62 LYS . 52661 1 50 63 GLY . 52661 1 51 64 SER . 52661 1 52 65 THR . 52661 1 53 66 PHE . 52661 1 54 67 HIS . 52661 1 55 68 ARG . 52661 1 56 69 VAL . 52661 1 57 70 ILE . 52661 1 58 71 PRO . 52661 1 59 72 SER . 52661 1 60 73 PHE . 52661 1 61 74 MET . 52661 1 62 75 CYS . 52661 1 63 76 GLN . 52661 1 64 77 ALA . 52661 1 65 78 GLY . 52661 1 66 79 ASP . 52661 1 67 80 PHE . 52661 1 68 81 THR . 52661 1 69 82 ASN . 52661 1 70 83 HIS . 52661 1 71 84 ASN . 52661 1 72 85 GLY . 52661 1 73 86 THR . 52661 1 74 87 GLY . 52661 1 75 88 GLY . 52661 1 76 89 LYS . 52661 1 77 90 SER . 52661 1 78 91 ILE . 52661 1 79 92 TYR . 52661 1 80 93 GLY . 52661 1 81 94 SER . 52661 1 82 95 ARG . 52661 1 83 96 PHE . 52661 1 84 97 PRO . 52661 1 85 98 ASP . 52661 1 86 99 GLU . 52661 1 87 100 ASN . 52661 1 88 101 PHE . 52661 1 89 102 THR . 52661 1 90 103 LEU . 52661 1 91 104 LYS . 52661 1 92 105 HIS . 52661 1 93 106 VAL . 52661 1 94 107 GLY . 52661 1 95 108 PRO . 52661 1 96 109 GLY . 52661 1 97 110 VAL . 52661 1 98 111 LEU . 52661 1 99 112 SER . 52661 1 100 113 MET . 52661 1 101 114 ALA . 52661 1 102 115 ASN . 52661 1 103 116 ALA . 52661 1 104 117 GLY . 52661 1 105 118 PRO . 52661 1 106 119 ASN . 52661 1 107 120 THR . 52661 1 108 121 ASN . 52661 1 109 122 GLY . 52661 1 110 123 SER . 52661 1 111 124 GLN . 52661 1 112 125 PHE . 52661 1 113 126 PHE . 52661 1 114 127 ILE . 52661 1 115 128 CYS . 52661 1 116 129 THR . 52661 1 117 130 ILE . 52661 1 118 131 LYS . 52661 1 119 132 THR . 52661 1 120 133 ASP . 52661 1 121 134 TRP . 52661 1 122 135 LEU . 52661 1 123 136 ASP . 52661 1 124 137 GLY . 52661 1 125 138 LYS . 52661 1 126 139 HIS . 52661 1 127 140 VAL . 52661 1 128 141 VAL . 52661 1 129 142 PHE . 52661 1 130 143 GLY . 52661 1 131 144 HIS . 52661 1 132 145 VAL . 52661 1 133 146 LYS . 52661 1 134 147 GLU . 52661 1 135 148 GLY . 52661 1 136 149 MET . 52661 1 137 150 ASP . 52661 1 138 151 VAL . 52661 1 139 152 VAL . 52661 1 140 153 LYS . 52661 1 141 154 LYS . 52661 1 142 155 ILE . 52661 1 143 156 GLU . 52661 1 144 157 SER . 52661 1 145 158 PHE . 52661 1 146 159 GLY . 52661 1 147 160 SER . 52661 1 148 161 LYS . 52661 1 149 162 SER . 52661 1 150 163 GLY . 52661 1 151 164 ARG . 52661 1 152 165 THR . 52661 1 153 166 SER . 52661 1 154 167 LYS . 52661 1 155 168 LYS . 52661 1 156 169 ILE . 52661 1 157 170 VAL . 52661 1 158 171 ILE . 52661 1 159 172 THR . 52661 1 160 173 ASP . 52661 1 161 174 CYS . 52661 1 162 175 GLY . 52661 1 163 176 GLN . 52661 1 164 177 LEU . 52661 1 165 178 SER . 52661 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 52661 1 . GLY 2 2 52661 1 . ASN 3 3 52661 1 . PRO 4 4 52661 1 . LEU 5 5 52661 1 . VAL 6 6 52661 1 . TYR 7 7 52661 1 . LEU 8 8 52661 1 . ASP 9 9 52661 1 . VAL 10 10 52661 1 . ASP 11 11 52661 1 . ALA 12 12 52661 1 . ASN 13 13 52661 1 . GLY 14 14 52661 1 . LYS 15 15 52661 1 . PRO 16 16 52661 1 . LEU 17 17 52661 1 . GLY 18 18 52661 1 . ARG 19 19 52661 1 . VAL 20 20 52661 1 . VAL 21 21 52661 1 . LEU 22 22 52661 1 . GLU 23 23 52661 1 . LEU 24 24 52661 1 . LYS 25 25 52661 1 . ALA 26 26 52661 1 . ASP 27 27 52661 1 . VAL 28 28 52661 1 . VAL 29 29 52661 1 . PRO 30 30 52661 1 . LYS 31 31 52661 1 . THR 32 32 52661 1 . ALA 33 33 52661 1 . GLU 34 34 52661 1 . ASN 35 35 52661 1 . PHE 36 36 52661 1 . ARG 37 37 52661 1 . ALA 38 38 52661 1 . LEU 39 39 52661 1 . CYS 40 40 52661 1 . THR 41 41 52661 1 . GLY 42 42 52661 1 . GLU 43 43 52661 1 . LYS 44 44 52661 1 . GLY 45 45 52661 1 . PHE 46 46 52661 1 . GLY 47 47 52661 1 . TYR 48 48 52661 1 . LYS 49 49 52661 1 . GLY 50 50 52661 1 . SER 51 51 52661 1 . THR 52 52 52661 1 . PHE 53 53 52661 1 . HIS 54 54 52661 1 . ARG 55 55 52661 1 . VAL 56 56 52661 1 . ILE 57 57 52661 1 . PRO 58 58 52661 1 . SER 59 59 52661 1 . PHE 60 60 52661 1 . MET 61 61 52661 1 . CYS 62 62 52661 1 . GLN 63 63 52661 1 . ALA 64 64 52661 1 . GLY 65 65 52661 1 . ASP 66 66 52661 1 . PHE 67 67 52661 1 . THR 68 68 52661 1 . ASN 69 69 52661 1 . HIS 70 70 52661 1 . ASN 71 71 52661 1 . GLY 72 72 52661 1 . THR 73 73 52661 1 . GLY 74 74 52661 1 . GLY 75 75 52661 1 . LYS 76 76 52661 1 . SER 77 77 52661 1 . ILE 78 78 52661 1 . TYR 79 79 52661 1 . GLY 80 80 52661 1 . SER 81 81 52661 1 . ARG 82 82 52661 1 . PHE 83 83 52661 1 . PRO 84 84 52661 1 . ASP 85 85 52661 1 . GLU 86 86 52661 1 . ASN 87 87 52661 1 . PHE 88 88 52661 1 . THR 89 89 52661 1 . LEU 90 90 52661 1 . LYS 91 91 52661 1 . HIS 92 92 52661 1 . VAL 93 93 52661 1 . GLY 94 94 52661 1 . PRO 95 95 52661 1 . GLY 96 96 52661 1 . VAL 97 97 52661 1 . LEU 98 98 52661 1 . SER 99 99 52661 1 . MET 100 100 52661 1 . ALA 101 101 52661 1 . ASN 102 102 52661 1 . ALA 103 103 52661 1 . GLY 104 104 52661 1 . PRO 105 105 52661 1 . ASN 106 106 52661 1 . THR 107 107 52661 1 . ASN 108 108 52661 1 . GLY 109 109 52661 1 . SER 110 110 52661 1 . GLN 111 111 52661 1 . PHE 112 112 52661 1 . PHE 113 113 52661 1 . ILE 114 114 52661 1 . CYS 115 115 52661 1 . THR 116 116 52661 1 . ILE 117 117 52661 1 . LYS 118 118 52661 1 . THR 119 119 52661 1 . ASP 120 120 52661 1 . TRP 121 121 52661 1 . LEU 122 122 52661 1 . ASP 123 123 52661 1 . GLY 124 124 52661 1 . LYS 125 125 52661 1 . HIS 126 126 52661 1 . VAL 127 127 52661 1 . VAL 128 128 52661 1 . PHE 129 129 52661 1 . GLY 130 130 52661 1 . HIS 131 131 52661 1 . VAL 132 132 52661 1 . LYS 133 133 52661 1 . GLU 134 134 52661 1 . GLY 135 135 52661 1 . MET 136 136 52661 1 . ASP 137 137 52661 1 . VAL 138 138 52661 1 . VAL 139 139 52661 1 . LYS 140 140 52661 1 . LYS 141 141 52661 1 . ILE 142 142 52661 1 . GLU 143 143 52661 1 . SER 144 144 52661 1 . PHE 145 145 52661 1 . GLY 146 146 52661 1 . SER 147 147 52661 1 . LYS 148 148 52661 1 . SER 149 149 52661 1 . GLY 150 150 52661 1 . ARG 151 151 52661 1 . THR 152 152 52661 1 . SER 153 153 52661 1 . LYS 154 154 52661 1 . LYS 155 155 52661 1 . ILE 156 156 52661 1 . VAL 157 157 52661 1 . ILE 158 158 52661 1 . THR 159 159 52661 1 . ASP 160 160 52661 1 . CYS 161 161 52661 1 . GLY 162 162 52661 1 . GLN 163 163 52661 1 . LEU 164 164 52661 1 . SER 165 165 52661 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52661 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . Ppif . 52661 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52661 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21 DE3 pLySS' . . plasmid . . pRSETA . . . 52661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52661 _Sample.ID 1 _Sample.Name DN-CyPD _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM NaPi pH 7.00; 2 mM DTE' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cyclophilin D' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 52661 1 2 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 52661 1 3 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 52661 1 4 DTE 'natural abundance' . . . . . . 2 . . mM . . . . 52661 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52661 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.00 . pH 52661 1 pressure 1 . atm 52661 1 temperature 298 . K 52661 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52661 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52661 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52661 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52661 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52661 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52661 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52661 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52661 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52661 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52661 1 6 '3D HN(CO)CA' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52661 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name TSP _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP protons . . . . Hz -15.84 internal indirect 1 . . . . . 52661 1 H 1 TSP protons . . . . Hz -62.99 internal direct 1 . . . . . 52661 1 N 15 TSP protons . . . . Hz -6.38 internal indirect 1 . . . . . 52661 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FL-CyPD _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52661 1 2 '3D HNCO' . . . 52661 1 3 '3D HN(CA)CO' . . . 52661 1 4 '3D HNCA' . . . 52661 1 5 '3D HNCACB' . . . 52661 1 6 '3D HN(CO)CA' . . . 52661 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52661 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY C C 13 171.209 0.000 . . . . . . . 15 GLY CO . 52661 1 2 . 1 . 1 2 2 GLY CA C 13 42.103 0.011 . . . . . . . 15 GLY CA . 52661 1 3 . 1 . 1 3 3 ASN H H 1 8.440 0.001 . . . . . . . 16 ASN H . 52661 1 4 . 1 . 1 3 3 ASN C C 13 171.381 0.000 . . . . . . . 16 ASN CO . 52661 1 5 . 1 . 1 3 3 ASN CA C 13 48.605 0.079 . . . . . . . 16 ASN CA . 52661 1 6 . 1 . 1 3 3 ASN CB C 13 35.393 0.000 . . . . . . . 16 ASN CB . 52661 1 7 . 1 . 1 3 3 ASN N N 15 122.347 0.030 . . . . . . . 16 ASN N . 52661 1 8 . 1 . 1 4 4 PRO C C 13 171.976 0.001 . . . . . . . 17 PRO CO . 52661 1 9 . 1 . 1 4 4 PRO CA C 13 60.521 0.043 . . . . . . . 17 PRO CA . 52661 1 10 . 1 . 1 4 4 PRO CB C 13 30.209 0.000 . . . . . . . 17 PRO CB . 52661 1 11 . 1 . 1 5 5 LEU H H 1 8.509 0.003 . . . . . . . 18 LEU H . 52661 1 12 . 1 . 1 5 5 LEU C C 13 174.822 0.011 . . . . . . . 18 LEU CO . 52661 1 13 . 1 . 1 5 5 LEU CA C 13 50.561 0.055 . . . . . . . 18 LEU CA . 52661 1 14 . 1 . 1 5 5 LEU CB C 13 42.157 0.061 . . . . . . . 18 LEU CB . 52661 1 15 . 1 . 1 5 5 LEU N N 15 121.321 0.023 . . . . . . . 18 LEU N . 52661 1 16 . 1 . 1 6 6 VAL H H 1 9.138 0.002 . . . . . . . 19 VAL H . 52661 1 17 . 1 . 1 6 6 VAL C C 13 170.698 0.009 . . . . . . . 19 VAL CO . 52661 1 18 . 1 . 1 6 6 VAL CA C 13 55.583 0.017 . . . . . . . 19 VAL CA . 52661 1 19 . 1 . 1 6 6 VAL CB C 13 32.717 0.009 . . . . . . . 19 VAL CB . 52661 1 20 . 1 . 1 6 6 VAL N N 15 115.148 0.023 . . . . . . . 19 VAL N . 52661 1 21 . 1 . 1 7 7 TYR H H 1 8.710 0.002 . . . . . . . 20 TYR H . 52661 1 22 . 1 . 1 7 7 TYR C C 13 169.965 0.030 . . . . . . . 20 TYR CO . 52661 1 23 . 1 . 1 7 7 TYR CA C 13 52.347 0.024 . . . . . . . 20 TYR CA . 52661 1 24 . 1 . 1 7 7 TYR CB C 13 40.123 0.017 . . . . . . . 20 TYR CB . 52661 1 25 . 1 . 1 7 7 TYR N N 15 116.621 0.019 . . . . . . . 20 TYR N . 52661 1 26 . 1 . 1 8 8 LEU H H 1 8.993 0.002 . . . . . . . 21 LEU H . 52661 1 27 . 1 . 1 8 8 LEU C C 13 172.420 0.025 . . . . . . . 21 LEU CO . 52661 1 28 . 1 . 1 8 8 LEU CA C 13 51.210 0.036 . . . . . . . 21 LEU CA . 52661 1 29 . 1 . 1 8 8 LEU CB C 13 42.538 0.008 . . . . . . . 21 LEU CB . 52661 1 30 . 1 . 1 8 8 LEU N N 15 116.322 0.039 . . . . . . . 21 LEU N . 52661 1 31 . 1 . 1 9 9 ASP H H 1 9.176 0.002 . . . . . . . 22 ASP H . 52661 1 32 . 1 . 1 9 9 ASP C C 13 173.335 0.022 . . . . . . . 22 ASP CO . 52661 1 33 . 1 . 1 9 9 ASP CA C 13 51.804 0.065 . . . . . . . 22 ASP CA . 52661 1 34 . 1 . 1 9 9 ASP CB C 13 39.305 0.000 . . . . . . . 22 ASP CB . 52661 1 35 . 1 . 1 9 9 ASP N N 15 125.944 0.047 . . . . . . . 22 ASP N . 52661 1 36 . 1 . 1 10 10 VAL H H 1 8.144 0.002 . . . . . . . 23 VAL H . 52661 1 37 . 1 . 1 10 10 VAL C C 13 172.263 0.079 . . . . . . . 23 VAL CO . 52661 1 38 . 1 . 1 10 10 VAL CA C 13 57.484 0.044 . . . . . . . 23 VAL CA . 52661 1 39 . 1 . 1 10 10 VAL CB C 13 32.676 0.000 . . . . . . . 23 VAL CB . 52661 1 40 . 1 . 1 10 10 VAL N N 15 118.835 0.026 . . . . . . . 23 VAL N . 52661 1 41 . 1 . 1 11 11 ASP H H 1 9.530 0.002 . . . . . . . 24 ASP H . 52661 1 42 . 1 . 1 11 11 ASP C C 13 171.691 0.058 . . . . . . . 24 ASP CO . 52661 1 43 . 1 . 1 11 11 ASP CA C 13 50.214 0.028 . . . . . . . 24 ASP CA . 52661 1 44 . 1 . 1 11 11 ASP CB C 13 42.629 0.007 . . . . . . . 24 ASP CB . 52661 1 45 . 1 . 1 11 11 ASP N N 15 127.366 0.036 . . . . . . . 24 ASP N . 52661 1 46 . 1 . 1 12 12 ALA H H 1 8.623 0.002 . . . . . . . 25 ALA H . 52661 1 47 . 1 . 1 12 12 ALA C C 13 174.800 0.008 . . . . . . . 25 ALA CO . 52661 1 48 . 1 . 1 12 12 ALA CA C 13 47.521 0.012 . . . . . . . 25 ALA CA . 52661 1 49 . 1 . 1 12 12 ALA CB C 13 18.885 0.005 . . . . . . . 25 ALA CB . 52661 1 50 . 1 . 1 12 12 ALA N N 15 118.710 0.022 . . . . . . . 25 ALA N . 52661 1 51 . 1 . 1 13 13 ASN H H 1 9.319 0.002 . . . . . . . 26 ASN H . 52661 1 52 . 1 . 1 13 13 ASN C C 13 172.404 0.008 . . . . . . . 26 ASN CO . 52661 1 53 . 1 . 1 13 13 ASN CA C 13 50.969 0.092 . . . . . . . 26 ASN CA . 52661 1 54 . 1 . 1 13 13 ASN CB C 13 34.812 0.007 . . . . . . . 26 ASN CB . 52661 1 55 . 1 . 1 13 13 ASN N N 15 125.786 0.032 . . . . . . . 26 ASN N . 52661 1 56 . 1 . 1 14 14 GLY H H 1 8.818 0.001 . . . . . . . 27 GLY H . 52661 1 57 . 1 . 1 14 14 GLY C C 13 171.137 0.004 . . . . . . . 27 GLY CO . 52661 1 58 . 1 . 1 14 14 GLY CA C 13 43.019 0.044 . . . . . . . 27 GLY CA . 52661 1 59 . 1 . 1 14 14 GLY N N 15 104.021 0.030 . . . . . . . 27 GLY N . 52661 1 60 . 1 . 1 15 15 LYS H H 1 7.716 0.001 . . . . . . . 28 LYS H . 52661 1 61 . 1 . 1 15 15 LYS C C 13 171.327 0.000 . . . . . . . 28 LYS CO . 52661 1 62 . 1 . 1 15 15 LYS CA C 13 49.713 0.053 . . . . . . . 28 LYS CA . 52661 1 63 . 1 . 1 15 15 LYS CB C 13 30.542 0.000 . . . . . . . 28 LYS CB . 52661 1 64 . 1 . 1 15 15 LYS N N 15 122.126 0.022 . . . . . . . 28 LYS N . 52661 1 65 . 1 . 1 16 16 PRO C C 13 175.328 0.000 . . . . . . . 29 PRO CO . 52661 1 66 . 1 . 1 16 16 PRO CA C 13 61.381 0.073 . . . . . . . 29 PRO CA . 52661 1 67 . 1 . 1 16 16 PRO CB C 13 29.924 0.000 . . . . . . . 29 PRO CB . 52661 1 68 . 1 . 1 17 17 LEU H H 1 9.768 0.003 . . . . . . . 30 LEU H . 52661 1 69 . 1 . 1 17 17 LEU C C 13 173.762 0.011 . . . . . . . 30 LEU CO . 52661 1 70 . 1 . 1 17 17 LEU CA C 13 52.194 0.048 . . . . . . . 30 LEU CA . 52661 1 71 . 1 . 1 17 17 LEU CB C 13 41.034 0.000 . . . . . . . 30 LEU CB . 52661 1 72 . 1 . 1 17 17 LEU N N 15 122.618 0.037 . . . . . . . 30 LEU N . 52661 1 73 . 1 . 1 18 18 GLY H H 1 7.674 0.003 . . . . . . . 31 GLY H . 52661 1 74 . 1 . 1 18 18 GLY C C 13 168.070 0.023 . . . . . . . 31 GLY CO . 52661 1 75 . 1 . 1 18 18 GLY CA C 13 41.372 0.075 . . . . . . . 31 GLY CA . 52661 1 76 . 1 . 1 18 18 GLY N N 15 104.867 0.050 . . . . . . . 31 GLY N . 52661 1 77 . 1 . 1 19 19 ARG H H 1 8.275 0.002 . . . . . . . 32 ARG H . 52661 1 78 . 1 . 1 19 19 ARG C C 13 172.494 0.004 . . . . . . . 32 ARG CO . 52661 1 79 . 1 . 1 19 19 ARG CA C 13 52.061 0.054 . . . . . . . 32 ARG CA . 52661 1 80 . 1 . 1 19 19 ARG CB C 13 31.688 0.102 . . . . . . . 32 ARG CB . 52661 1 81 . 1 . 1 19 19 ARG N N 15 121.366 0.026 . . . . . . . 32 ARG N . 52661 1 82 . 1 . 1 20 20 VAL H H 1 9.531 0.002 . . . . . . . 33 VAL H . 52661 1 83 . 1 . 1 20 20 VAL C C 13 172.520 0.100 . . . . . . . 33 VAL CO . 52661 1 84 . 1 . 1 20 20 VAL CA C 13 58.437 0.081 . . . . . . . 33 VAL CA . 52661 1 85 . 1 . 1 20 20 VAL CB C 13 31.176 0.000 . . . . . . . 33 VAL CB . 52661 1 86 . 1 . 1 20 20 VAL N N 15 126.491 0.022 . . . . . . . 33 VAL N . 52661 1 87 . 1 . 1 21 21 VAL H H 1 8.901 0.002 . . . . . . . 34 VAL H . 52661 1 88 . 1 . 1 21 21 VAL C C 13 173.040 0.047 . . . . . . . 34 VAL CO . 52661 1 89 . 1 . 1 21 21 VAL CA C 13 59.088 0.076 . . . . . . . 34 VAL CA . 52661 1 90 . 1 . 1 21 21 VAL CB C 13 30.975 0.129 . . . . . . . 34 VAL CB . 52661 1 91 . 1 . 1 21 21 VAL N N 15 126.789 0.024 . . . . . . . 34 VAL N . 52661 1 92 . 1 . 1 22 22 LEU H H 1 9.628 0.003 . . . . . . . 35 LEU H . 52661 1 93 . 1 . 1 22 22 LEU C C 13 171.600 0.049 . . . . . . . 35 LEU CO . 52661 1 94 . 1 . 1 22 22 LEU CA C 13 50.710 0.018 . . . . . . . 35 LEU CA . 52661 1 95 . 1 . 1 22 22 LEU CB C 13 40.567 0.009 . . . . . . . 35 LEU CB . 52661 1 96 . 1 . 1 22 22 LEU N N 15 128.884 0.042 . . . . . . . 35 LEU N . 52661 1 97 . 1 . 1 23 23 GLU H H 1 8.639 0.002 . . . . . . . 36 GLU H . 52661 1 98 . 1 . 1 23 23 GLU C C 13 172.609 0.011 . . . . . . . 36 GLU CO . 52661 1 99 . 1 . 1 23 23 GLU CA C 13 52.237 0.097 . . . . . . . 36 GLU CA . 52661 1 100 . 1 . 1 23 23 GLU CB C 13 29.184 0.000 . . . . . . . 36 GLU CB . 52661 1 101 . 1 . 1 23 23 GLU N N 15 122.595 0.043 . . . . . . . 36 GLU N . 52661 1 102 . 1 . 1 24 24 LEU H H 1 8.481 0.001 . . . . . . . 37 LEU H . 52661 1 103 . 1 . 1 24 24 LEU C C 13 174.550 0.073 . . . . . . . 37 LEU CO . 52661 1 104 . 1 . 1 24 24 LEU CA C 13 49.431 0.072 . . . . . . . 37 LEU CA . 52661 1 105 . 1 . 1 24 24 LEU CB C 13 40.237 0.008 . . . . . . . 37 LEU CB . 52661 1 106 . 1 . 1 24 24 LEU N N 15 124.578 0.045 . . . . . . . 37 LEU N . 52661 1 107 . 1 . 1 25 25 LYS H H 1 8.881 0.001 . . . . . . . 38 LYS H . 52661 1 108 . 1 . 1 25 25 LYS C C 13 173.976 0.034 . . . . . . . 38 LYS CO . 52661 1 109 . 1 . 1 25 25 LYS CA C 13 50.994 0.089 . . . . . . . 38 LYS CA . 52661 1 110 . 1 . 1 25 25 LYS CB C 13 25.102 0.016 . . . . . . . 38 LYS CB . 52661 1 111 . 1 . 1 25 25 LYS N N 15 125.148 0.026 . . . . . . . 38 LYS N . 52661 1 112 . 1 . 1 26 26 ALA H H 1 8.177 0.003 . . . . . . . 39 ALA H . 52661 1 113 . 1 . 1 26 26 ALA C C 13 173.275 0.008 . . . . . . . 39 ALA CO . 52661 1 114 . 1 . 1 26 26 ALA CA C 13 51.409 0.023 . . . . . . . 39 ALA CA . 52661 1 115 . 1 . 1 26 26 ALA CB C 13 16.220 0.005 . . . . . . . 39 ALA CB . 52661 1 116 . 1 . 1 26 26 ALA N N 15 128.532 0.032 . . . . . . . 39 ALA N . 52661 1 117 . 1 . 1 27 27 ASP H H 1 9.041 0.002 . . . . . . . 40 ASP H . 52661 1 118 . 1 . 1 27 27 ASP C C 13 174.011 0.004 . . . . . . . 40 ASP CO . 52661 1 119 . 1 . 1 27 27 ASP CA C 13 52.427 0.044 . . . . . . . 40 ASP CA . 52661 1 120 . 1 . 1 27 27 ASP CB C 13 35.788 0.013 . . . . . . . 40 ASP CB . 52661 1 121 . 1 . 1 27 27 ASP N N 15 114.110 0.021 . . . . . . . 40 ASP N . 52661 1 122 . 1 . 1 28 28 VAL H H 1 7.603 0.002 . . . . . . . 41 VAL H . 52661 1 123 . 1 . 1 28 28 VAL C C 13 173.251 0.001 . . . . . . . 41 VAL CO . 52661 1 124 . 1 . 1 28 28 VAL CA C 13 61.228 0.072 . . . . . . . 41 VAL CA . 52661 1 125 . 1 . 1 28 28 VAL CB C 13 32.686 0.037 . . . . . . . 41 VAL CB . 52661 1 126 . 1 . 1 28 28 VAL N N 15 119.796 0.010 . . . . . . . 41 VAL N . 52661 1 127 . 1 . 1 29 29 VAL H H 1 8.249 0.002 . . . . . . . 42 VAL H . 52661 1 128 . 1 . 1 29 29 VAL C C 13 169.716 0.000 . . . . . . . 42 VAL CO . 52661 1 129 . 1 . 1 29 29 VAL CA C 13 55.013 0.083 . . . . . . . 42 VAL CA . 52661 1 130 . 1 . 1 29 29 VAL CB C 13 28.919 0.000 . . . . . . . 42 VAL CB . 52661 1 131 . 1 . 1 29 29 VAL N N 15 113.713 0.040 . . . . . . . 42 VAL N . 52661 1 132 . 1 . 1 30 30 PRO C C 13 178.620 0.005 . . . . . . . 43 PRO CO . 52661 1 133 . 1 . 1 30 30 PRO CA C 13 63.405 0.013 . . . . . . . 43 PRO CA . 52661 1 134 . 1 . 1 30 30 PRO CB C 13 29.140 0.000 . . . . . . . 43 PRO CB . 52661 1 135 . 1 . 1 31 31 LYS H H 1 10.770 0.002 . . . . . . . 44 LYS H . 52661 1 136 . 1 . 1 31 31 LYS C C 13 179.332 0.010 . . . . . . . 44 LYS CO . 52661 1 137 . 1 . 1 31 31 LYS CA C 13 57.438 0.057 . . . . . . . 44 LYS CA . 52661 1 138 . 1 . 1 31 31 LYS CB C 13 28.663 0.000 . . . . . . . 44 LYS CB . 52661 1 139 . 1 . 1 31 31 LYS N N 15 122.529 0.032 . . . . . . . 44 LYS N . 52661 1 140 . 1 . 1 32 32 THR H H 1 10.347 0.002 . . . . . . . 45 THR H . 52661 1 141 . 1 . 1 32 32 THR C C 13 174.942 0.000 . . . . . . . 45 THR CO . 52661 1 142 . 1 . 1 32 32 THR CA C 13 64.867 0.014 . . . . . . . 45 THR CA . 52661 1 143 . 1 . 1 32 32 THR CB C 13 66.181 0.002 . . . . . . . 45 THR CB . 52661 1 144 . 1 . 1 32 32 THR N N 15 124.646 0.020 . . . . . . . 45 THR N . 52661 1 145 . 1 . 1 33 33 ALA H H 1 9.259 0.002 . . . . . . . 46 ALA H . 52661 1 146 . 1 . 1 33 33 ALA C C 13 175.304 0.030 . . . . . . . 46 ALA CO . 52661 1 147 . 1 . 1 33 33 ALA CA C 13 53.310 0.047 . . . . . . . 46 ALA CA . 52661 1 148 . 1 . 1 33 33 ALA CB C 13 16.039 0.017 . . . . . . . 46 ALA CB . 52661 1 149 . 1 . 1 33 33 ALA N N 15 125.602 0.028 . . . . . . . 46 ALA N . 52661 1 150 . 1 . 1 34 34 GLU H H 1 8.032 0.002 . . . . . . . 47 GLU H . 52661 1 151 . 1 . 1 34 34 GLU C C 13 174.633 0.010 . . . . . . . 47 GLU CO . 52661 1 152 . 1 . 1 34 34 GLU CA C 13 55.438 0.081 . . . . . . . 47 GLU CA . 52661 1 153 . 1 . 1 34 34 GLU CB C 13 25.535 0.019 . . . . . . . 47 GLU CB . 52661 1 154 . 1 . 1 34 34 GLU N N 15 117.544 0.030 . . . . . . . 47 GLU N . 52661 1 155 . 1 . 1 35 35 ASN H H 1 7.157 0.135 . . . . . . . 48 ASN H . 52661 1 156 . 1 . 1 35 35 ASN C C 13 171.718 0.010 . . . . . . . 48 ASN CO . 52661 1 157 . 1 . 1 35 35 ASN CA C 13 53.925 0.028 . . . . . . . 48 ASN CA . 52661 1 158 . 1 . 1 35 35 ASN CB C 13 36.889 0.053 . . . . . . . 48 ASN CB . 52661 1 159 . 1 . 1 35 35 ASN N N 15 114.776 0.670 . . . . . . . 48 ASN N . 52661 1 160 . 1 . 1 36 36 PHE H H 1 7.062 0.002 . . . . . . . 49 PHE H . 52661 1 161 . 1 . 1 36 36 PHE C C 13 175.133 0.001 . . . . . . . 49 PHE CO . 52661 1 162 . 1 . 1 36 36 PHE CA C 13 59.319 0.018 . . . . . . . 49 PHE CA . 52661 1 163 . 1 . 1 36 36 PHE CB C 13 37.587 0.105 . . . . . . . 49 PHE CB . 52661 1 164 . 1 . 1 36 36 PHE N N 15 117.294 0.018 . . . . . . . 49 PHE N . 52661 1 165 . 1 . 1 37 37 ARG H H 1 8.888 0.002 . . . . . . . 50 ARG H . 52661 1 166 . 1 . 1 37 37 ARG C C 13 175.573 0.026 . . . . . . . 50 ARG CO . 52661 1 167 . 1 . 1 37 37 ARG CA C 13 58.026 0.074 . . . . . . . 50 ARG CA . 52661 1 168 . 1 . 1 37 37 ARG CB C 13 27.595 0.011 . . . . . . . 50 ARG CB . 52661 1 169 . 1 . 1 37 37 ARG N N 15 119.220 0.027 . . . . . . . 50 ARG N . 52661 1 170 . 1 . 1 38 38 ALA H H 1 8.434 0.002 . . . . . . . 51 ALA H . 52661 1 171 . 1 . 1 38 38 ALA C C 13 179.103 0.006 . . . . . . . 51 ALA CO . 52661 1 172 . 1 . 1 38 38 ALA CA C 13 51.487 0.031 . . . . . . . 51 ALA CA . 52661 1 173 . 1 . 1 38 38 ALA CB C 13 15.607 0.012 . . . . . . . 51 ALA CB . 52661 1 174 . 1 . 1 38 38 ALA N N 15 118.132 0.020 . . . . . . . 51 ALA N . 52661 1 175 . 1 . 1 39 39 LEU H H 1 7.931 0.002 . . . . . . . 52 LEU H . 52661 1 176 . 1 . 1 39 39 LEU C C 13 177.012 0.013 . . . . . . . 52 LEU CO . 52661 1 177 . 1 . 1 39 39 LEU CA C 13 54.511 0.044 . . . . . . . 52 LEU CA . 52661 1 178 . 1 . 1 39 39 LEU CB C 13 38.247 0.016 . . . . . . . 52 LEU CB . 52661 1 179 . 1 . 1 39 39 LEU N N 15 122.134 0.018 . . . . . . . 52 LEU N . 52661 1 180 . 1 . 1 40 40 CYS H H 1 7.898 0.002 . . . . . . . 53 CYS H . 52661 1 181 . 1 . 1 40 40 CYS C C 13 173.634 0.018 . . . . . . . 53 CYS CO . 52661 1 182 . 1 . 1 40 40 CYS CA C 13 61.020 0.041 . . . . . . . 53 CYS CA . 52661 1 183 . 1 . 1 40 40 CYS CB C 13 24.316 0.013 . . . . . . . 53 CYS CB . 52661 1 184 . 1 . 1 40 40 CYS N N 15 120.048 0.026 . . . . . . . 53 CYS N . 52661 1 185 . 1 . 1 41 41 THR H H 1 8.024 0.002 . . . . . . . 54 THR H . 52661 1 186 . 1 . 1 41 41 THR C C 13 175.343 0.006 . . . . . . . 54 THR CO . 52661 1 187 . 1 . 1 41 41 THR CA C 13 60.700 0.064 . . . . . . . 54 THR CA . 52661 1 188 . 1 . 1 41 41 THR CB C 13 66.428 0.013 . . . . . . . 54 THR CB . 52661 1 189 . 1 . 1 41 41 THR N N 15 107.117 0.027 . . . . . . . 54 THR N . 52661 1 190 . 1 . 1 42 42 GLY H H 1 7.795 0.001 . . . . . . . 55 GLY H . 52661 1 191 . 1 . 1 42 42 GLY C C 13 175.250 0.051 . . . . . . . 55 GLY CO . 52661 1 192 . 1 . 1 42 42 GLY CA C 13 42.970 0.044 . . . . . . . 55 GLY CA . 52661 1 193 . 1 . 1 42 42 GLY N N 15 108.239 0.039 . . . . . . . 55 GLY N . 52661 1 194 . 1 . 1 43 43 GLU H H 1 7.993 0.002 . . . . . . . 56 GLU H . 52661 1 195 . 1 . 1 43 43 GLU C C 13 173.792 0.002 . . . . . . . 56 GLU CO . 52661 1 196 . 1 . 1 43 43 GLU CA C 13 55.803 0.098 . . . . . . . 56 GLU CA . 52661 1 197 . 1 . 1 43 43 GLU CB C 13 27.473 0.000 . . . . . . . 56 GLU CB . 52661 1 198 . 1 . 1 43 43 GLU N N 15 118.567 0.037 . . . . . . . 56 GLU N . 52661 1 199 . 1 . 1 44 44 LYS H H 1 9.127 0.003 . . . . . . . 57 LYS H . 52661 1 200 . 1 . 1 44 44 LYS C C 13 173.947 0.018 . . . . . . . 57 LYS CO . 52661 1 201 . 1 . 1 44 44 LYS CA C 13 51.642 0.073 . . . . . . . 57 LYS CA . 52661 1 202 . 1 . 1 44 44 LYS CB C 13 27.634 0.020 . . . . . . . 57 LYS CB . 52661 1 203 . 1 . 1 44 44 LYS N N 15 118.680 0.036 . . . . . . . 57 LYS N . 52661 1 204 . 1 . 1 45 45 GLY H H 1 7.961 0.002 . . . . . . . 58 GLY H . 52661 1 205 . 1 . 1 45 45 GLY C C 13 169.941 0.011 . . . . . . . 58 GLY CO . 52661 1 206 . 1 . 1 45 45 GLY CA C 13 42.028 0.020 . . . . . . . 58 GLY CA . 52661 1 207 . 1 . 1 45 45 GLY N N 15 105.638 0.036 . . . . . . . 58 GLY N . 52661 1 208 . 1 . 1 46 46 PHE H H 1 6.407 0.002 . . . . . . . 59 PHE H . 52661 1 209 . 1 . 1 46 46 PHE C C 13 170.058 0.039 . . . . . . . 59 PHE CO . 52661 1 210 . 1 . 1 46 46 PHE CA C 13 51.460 0.134 . . . . . . . 59 PHE CA . 52661 1 211 . 1 . 1 46 46 PHE CB C 13 36.907 0.000 . . . . . . . 59 PHE CB . 52661 1 212 . 1 . 1 46 46 PHE N N 15 113.790 0.038 . . . . . . . 59 PHE N . 52661 1 213 . 1 . 1 47 47 GLY H H 1 7.688 0.001 . . . . . . . 60 GLY H . 52661 1 214 . 1 . 1 47 47 GLY C C 13 168.862 0.006 . . . . . . . 60 GLY CO . 52661 1 215 . 1 . 1 47 47 GLY CA C 13 43.066 0.052 . . . . . . . 60 GLY CA . 52661 1 216 . 1 . 1 47 47 GLY N N 15 104.636 0.057 . . . . . . . 60 GLY N . 52661 1 217 . 1 . 1 48 48 TYR H H 1 6.862 0.002 . . . . . . . 61 TYR H . 52661 1 218 . 1 . 1 48 48 TYR C C 13 175.305 0.001 . . . . . . . 61 TYR CO . 52661 1 219 . 1 . 1 48 48 TYR CA C 13 55.130 0.096 . . . . . . . 61 TYR CA . 52661 1 220 . 1 . 1 48 48 TYR CB C 13 36.222 0.015 . . . . . . . 61 TYR CB . 52661 1 221 . 1 . 1 48 48 TYR N N 15 113.275 0.030 . . . . . . . 61 TYR N . 52661 1 222 . 1 . 1 49 49 LYS H H 1 8.452 0.003 . . . . . . . 62 LYS H . 52661 1 223 . 1 . 1 49 49 LYS C C 13 174.916 0.007 . . . . . . . 62 LYS CO . 52661 1 224 . 1 . 1 49 49 LYS CA C 13 58.434 0.117 . . . . . . . 62 LYS CA . 52661 1 225 . 1 . 1 49 49 LYS CB C 13 28.913 0.029 . . . . . . . 62 LYS CB . 52661 1 226 . 1 . 1 49 49 LYS N N 15 124.509 0.029 . . . . . . . 62 LYS N . 52661 1 227 . 1 . 1 50 50 GLY H H 1 9.721 0.003 . . . . . . . 63 GLY H . 52661 1 228 . 1 . 1 50 50 GLY C C 13 171.339 0.009 . . . . . . . 63 GLY CO . 52661 1 229 . 1 . 1 50 50 GLY CA C 13 42.802 0.074 . . . . . . . 63 GLY CA . 52661 1 230 . 1 . 1 50 50 GLY N N 15 117.812 0.023 . . . . . . . 63 GLY N . 52661 1 231 . 1 . 1 51 51 SER H H 1 8.565 0.002 . . . . . . . 64 SER H . 52661 1 232 . 1 . 1 51 51 SER C C 13 169.935 0.006 . . . . . . . 64 SER CO . 52661 1 233 . 1 . 1 51 51 SER CA C 13 55.799 0.081 . . . . . . . 64 SER CA . 52661 1 234 . 1 . 1 51 51 SER CB C 13 62.118 0.000 . . . . . . . 64 SER CB . 52661 1 235 . 1 . 1 51 51 SER N N 15 116.330 0.047 . . . . . . . 64 SER N . 52661 1 236 . 1 . 1 52 52 THR H H 1 9.603 0.006 . . . . . . . 65 THR H . 52661 1 237 . 1 . 1 52 52 THR C C 13 175.470 0.009 . . . . . . . 65 THR CO . 52661 1 238 . 1 . 1 52 52 THR CA C 13 58.734 0.031 . . . . . . . 65 THR CA . 52661 1 239 . 1 . 1 52 52 THR CB C 13 70.869 0.000 . . . . . . . 65 THR CB . 52661 1 240 . 1 . 1 52 52 THR N N 15 107.204 0.069 . . . . . . . 65 THR N . 52661 1 241 . 1 . 1 53 53 PHE H H 1 8.447 0.002 . . . . . . . 66 PHE H . 52661 1 242 . 1 . 1 53 53 PHE C C 13 172.282 0.014 . . . . . . . 66 PHE CO . 52661 1 243 . 1 . 1 53 53 PHE CA C 13 54.695 0.031 . . . . . . . 66 PHE CA . 52661 1 244 . 1 . 1 53 53 PHE CB C 13 36.312 0.000 . . . . . . . 66 PHE CB . 52661 1 245 . 1 . 1 53 53 PHE N N 15 120.873 0.067 . . . . . . . 66 PHE N . 52661 1 246 . 1 . 1 54 54 HIS H H 1 7.427 0.003 . . . . . . . 67 HIS H . 52661 1 247 . 1 . 1 54 54 HIS C C 13 172.556 0.000 . . . . . . . 67 HIS CO . 52661 1 248 . 1 . 1 54 54 HIS CA C 13 54.341 0.033 . . . . . . . 67 HIS CA . 52661 1 249 . 1 . 1 54 54 HIS N N 15 119.760 0.020 . . . . . . . 67 HIS N . 52661 1 250 . 1 . 1 55 55 ARG H H 1 6.804 0.003 . . . . . . . 68 ARG H . 52661 1 251 . 1 . 1 55 55 ARG C C 13 170.188 0.013 . . . . . . . 68 ARG CO . 52661 1 252 . 1 . 1 55 55 ARG CA C 13 52.211 0.054 . . . . . . . 68 ARG CA . 52661 1 253 . 1 . 1 55 55 ARG CB C 13 29.988 0.027 . . . . . . . 68 ARG CB . 52661 1 254 . 1 . 1 55 55 ARG N N 15 123.884 0.049 . . . . . . . 68 ARG N . 52661 1 255 . 1 . 1 56 56 VAL H H 1 9.352 0.002 . . . . . . . 69 VAL H . 52661 1 256 . 1 . 1 56 56 VAL C C 13 170.553 0.074 . . . . . . . 69 VAL CO . 52661 1 257 . 1 . 1 56 56 VAL CA C 13 59.199 0.030 . . . . . . . 69 VAL CA . 52661 1 258 . 1 . 1 56 56 VAL CB C 13 32.550 0.009 . . . . . . . 69 VAL CB . 52661 1 259 . 1 . 1 56 56 VAL N N 15 128.768 0.018 . . . . . . . 69 VAL N . 52661 1 260 . 1 . 1 57 57 ILE H H 1 8.608 0.003 . . . . . . . 70 ILE H . 52661 1 261 . 1 . 1 57 57 ILE C C 13 171.044 0.000 . . . . . . . 70 ILE C . 52661 1 262 . 1 . 1 57 57 ILE CA C 13 54.785 0.051 . . . . . . . 70 ILE CA . 52661 1 263 . 1 . 1 57 57 ILE CB C 13 38.158 0.000 . . . . . . . 70 ILE CB . 52661 1 264 . 1 . 1 57 57 ILE N N 15 127.672 0.024 . . . . . . . 70 ILE N . 52661 1 265 . 1 . 1 58 58 PRO C C 13 173.806 0.002 . . . . . . . 71 PRO CO . 52661 1 266 . 1 . 1 58 58 PRO CA C 13 60.192 0.027 . . . . . . . 71 PRO CA . 52661 1 267 . 1 . 1 58 58 PRO CB C 13 29.644 0.000 . . . . . . . 71 PRO CB . 52661 1 268 . 1 . 1 59 59 SER H H 1 9.672 0.003 . . . . . . . 72 SER H . 52661 1 269 . 1 . 1 59 59 SER C C 13 169.525 0.000 . . . . . . . 72 SER CO . 52661 1 270 . 1 . 1 59 59 SER CA C 13 56.341 0.028 . . . . . . . 72 SER CA . 52661 1 271 . 1 . 1 59 59 SER CB C 13 58.922 0.014 . . . . . . . 72 SER CB . 52661 1 272 . 1 . 1 59 59 SER N N 15 115.033 0.019 . . . . . . . 72 SER N . 52661 1 273 . 1 . 1 60 60 PHE H H 1 7.584 0.002 . . . . . . . 73 PHE H . 52661 1 274 . 1 . 1 60 60 PHE C C 13 170.775 0.007 . . . . . . . 73 PHE CO . 52661 1 275 . 1 . 1 60 60 PHE CA C 13 54.543 0.078 . . . . . . . 73 PHE CA . 52661 1 276 . 1 . 1 60 60 PHE CB C 13 35.674 0.043 . . . . . . . 73 PHE CB . 52661 1 277 . 1 . 1 60 60 PHE N N 15 114.720 0.054 . . . . . . . 73 PHE N . 52661 1 278 . 1 . 1 61 61 MET H H 1 8.145 0.001 . . . . . . . 74 MET H . 52661 1 279 . 1 . 1 61 61 MET C C 13 170.643 0.007 . . . . . . . 74 MET CO . 52661 1 280 . 1 . 1 61 61 MET CA C 13 52.165 0.096 . . . . . . . 74 MET CA . 52661 1 281 . 1 . 1 61 61 MET CB C 13 32.547 0.000 . . . . . . . 74 MET CB . 52661 1 282 . 1 . 1 61 61 MET N N 15 112.177 0.054 . . . . . . . 74 MET N . 52661 1 283 . 1 . 1 62 62 CYS H H 1 8.461 0.002 . . . . . . . 75 CYS H . 52661 1 284 . 1 . 1 62 62 CYS C C 13 169.858 0.019 . . . . . . . 75 CYS CO . 52661 1 285 . 1 . 1 62 62 CYS CA C 13 54.041 0.114 . . . . . . . 75 CYS CA . 52661 1 286 . 1 . 1 62 62 CYS CB C 13 27.484 0.037 . . . . . . . 75 CYS CB . 52661 1 287 . 1 . 1 62 62 CYS N N 15 115.506 0.016 . . . . . . . 75 CYS N . 52661 1 288 . 1 . 1 63 63 GLN H H 1 9.450 0.002 . . . . . . . 76 GLN H . 52661 1 289 . 1 . 1 63 63 GLN C C 13 170.056 0.024 . . . . . . . 76 GLN CO . 52661 1 290 . 1 . 1 63 63 GLN CA C 13 52.283 0.066 . . . . . . . 76 GLN CA . 52661 1 291 . 1 . 1 63 63 GLN CB C 13 28.109 0.094 . . . . . . . 76 GLN CB . 52661 1 292 . 1 . 1 63 63 GLN N N 15 127.740 0.042 . . . . . . . 76 GLN N . 52661 1 293 . 1 . 1 64 64 ALA H H 1 7.997 0.003 . . . . . . . 77 ALA H . 52661 1 294 . 1 . 1 64 64 ALA C C 13 174.191 0.000 . . . . . . . 77 ALA CO . 52661 1 295 . 1 . 1 64 64 ALA CA C 13 47.504 0.023 . . . . . . . 77 ALA CA . 52661 1 296 . 1 . 1 64 64 ALA CB C 13 19.897 0.000 . . . . . . . 77 ALA CB . 52661 1 297 . 1 . 1 64 64 ALA N N 15 126.127 0.060 . . . . . . . 77 ALA N . 52661 1 298 . 1 . 1 65 65 GLY C C 13 172.739 0.000 . . . . . . . 78 GLY CO . 52661 1 299 . 1 . 1 65 65 GLY CA C 13 44.432 0.037 . . . . . . . 78 GLY CA . 52661 1 300 . 1 . 1 66 66 ASP H H 1 10.072 0.001 . . . . . . . 79 ASP H . 52661 1 301 . 1 . 1 66 66 ASP C C 13 172.616 0.000 . . . . . . . 79 ASP CO . 52661 1 302 . 1 . 1 66 66 ASP CA C 13 48.838 0.031 . . . . . . . 79 ASP CA . 52661 1 303 . 1 . 1 66 66 ASP N N 15 124.567 0.034 . . . . . . . 79 ASP N . 52661 1 304 . 1 . 1 67 67 PHE H H 1 6.614 0.009 . . . . . . . 80 PHE H . 52661 1 305 . 1 . 1 67 67 PHE C C 13 171.439 0.000 . . . . . . . 80 PHE CO . 52661 1 306 . 1 . 1 67 67 PHE CA C 13 53.489 0.014 . . . . . . . 80 PHE CA . 52661 1 307 . 1 . 1 67 67 PHE N N 15 115.661 0.054 . . . . . . . 80 PHE N . 52661 1 308 . 1 . 1 68 68 THR H H 1 7.336 0.003 . . . . . . . 81 THR H . 52661 1 309 . 1 . 1 68 68 THR C C 13 171.640 0.000 . . . . . . . 81 THR CO . 52661 1 310 . 1 . 1 68 68 THR CA C 13 59.368 0.040 . . . . . . . 81 THR CA . 52661 1 311 . 1 . 1 68 68 THR CB C 13 66.270 0.032 . . . . . . . 81 THR CB . 52661 1 312 . 1 . 1 68 68 THR N N 15 109.717 0.047 . . . . . . . 81 THR N . 52661 1 313 . 1 . 1 69 69 ASN H H 1 8.650 0.003 . . . . . . . 82 ASN H . 52661 1 314 . 1 . 1 69 69 ASN C C 13 172.677 0.000 . . . . . . . 82 ASN CO . 52661 1 315 . 1 . 1 69 69 ASN CA C 13 50.219 0.047 . . . . . . . 82 ASN CA . 52661 1 316 . 1 . 1 69 69 ASN CB C 13 36.753 0.000 . . . . . . . 82 ASN CB . 52661 1 317 . 1 . 1 69 69 ASN N N 15 120.517 0.024 . . . . . . . 82 ASN N . 52661 1 318 . 1 . 1 70 70 HIS C C 13 171.720 0.000 . . . . . . . 83 HIS CO . 52661 1 319 . 1 . 1 70 70 HIS CA C 13 54.779 0.038 . . . . . . . 83 HIS CA . 52661 1 320 . 1 . 1 71 71 ASN H H 1 7.604 0.003 . . . . . . . 84 ASN H . 52661 1 321 . 1 . 1 71 71 ASN C C 13 173.270 0.016 . . . . . . . 84 ASN CO . 52661 1 322 . 1 . 1 71 71 ASN CA C 13 49.939 0.023 . . . . . . . 84 ASN CA . 52661 1 323 . 1 . 1 71 71 ASN CB C 13 36.176 0.000 . . . . . . . 84 ASN CB . 52661 1 324 . 1 . 1 71 71 ASN N N 15 112.581 0.066 . . . . . . . 84 ASN N . 52661 1 325 . 1 . 1 72 72 GLY H H 1 9.721 0.005 . . . . . . . 85 GLY H . 52661 1 326 . 1 . 1 72 72 GLY C C 13 173.313 0.000 . . . . . . . 85 GLY CO . 52661 1 327 . 1 . 1 72 72 GLY CA C 13 42.527 0.046 . . . . . . . 85 GLY CA . 52661 1 328 . 1 . 1 72 72 GLY N N 15 110.717 0.050 . . . . . . . 85 GLY N . 52661 1 329 . 1 . 1 73 73 THR H H 1 8.005 0.002 . . . . . . . 86 THR H . 52661 1 330 . 1 . 1 73 73 THR C C 13 173.649 0.009 . . . . . . . 86 THR CO . 52661 1 331 . 1 . 1 73 73 THR CA C 13 60.025 0.091 . . . . . . . 86 THR CA . 52661 1 332 . 1 . 1 73 73 THR CB C 13 68.259 0.020 . . . . . . . 86 THR CB . 52661 1 333 . 1 . 1 73 73 THR N N 15 112.547 0.056 . . . . . . . 86 THR N . 52661 1 334 . 1 . 1 74 74 GLY H H 1 8.610 0.002 . . . . . . . 87 GLY H . 52661 1 335 . 1 . 1 74 74 GLY C C 13 172.652 0.004 . . . . . . . 87 GLY CO . 52661 1 336 . 1 . 1 74 74 GLY CA C 13 42.811 0.073 . . . . . . . 87 GLY CA . 52661 1 337 . 1 . 1 74 74 GLY N N 15 113.357 0.041 . . . . . . . 87 GLY N . 52661 1 338 . 1 . 1 75 75 GLY H H 1 8.064 0.003 . . . . . . . 88 GLY H . 52661 1 339 . 1 . 1 75 75 GLY C C 13 169.447 0.002 . . . . . . . 88 GLY CO . 52661 1 340 . 1 . 1 75 75 GLY CA C 13 40.555 0.030 . . . . . . . 88 GLY CA . 52661 1 341 . 1 . 1 75 75 GLY N N 15 109.317 0.052 . . . . . . . 88 GLY N . 52661 1 342 . 1 . 1 76 76 LYS H H 1 7.028 0.002 . . . . . . . 89 LYS H . 52661 1 343 . 1 . 1 76 76 LYS C C 13 169.679 0.006 . . . . . . . 89 LYS CO . 52661 1 344 . 1 . 1 76 76 LYS CA C 13 53.368 0.081 . . . . . . . 89 LYS CA . 52661 1 345 . 1 . 1 76 76 LYS CB C 13 31.881 0.003 . . . . . . . 89 LYS CB . 52661 1 346 . 1 . 1 76 76 LYS N N 15 115.730 0.043 . . . . . . . 89 LYS N . 52661 1 347 . 1 . 1 77 77 SER H H 1 7.783 0.002 . . . . . . . 90 SER H . 52661 1 348 . 1 . 1 77 77 SER C C 13 173.130 0.006 . . . . . . . 90 SER CO . 52661 1 349 . 1 . 1 77 77 SER CA C 13 54.117 0.070 . . . . . . . 90 SER CA . 52661 1 350 . 1 . 1 77 77 SER CB C 13 66.933 0.012 . . . . . . . 90 SER CB . 52661 1 351 . 1 . 1 77 77 SER N N 15 114.519 0.025 . . . . . . . 90 SER N . 52661 1 352 . 1 . 1 78 78 ILE H H 1 8.635 0.002 . . . . . . . 91 ILE H . 52661 1 353 . 1 . 1 78 78 ILE C C 13 173.493 0.020 . . . . . . . 91 ILE CO . 52661 1 354 . 1 . 1 78 78 ILE CA C 13 61.135 0.064 . . . . . . . 91 ILE CA . 52661 1 355 . 1 . 1 78 78 ILE CB C 13 34.710 0.011 . . . . . . . 91 ILE CB . 52661 1 356 . 1 . 1 78 78 ILE N N 15 111.741 0.026 . . . . . . . 91 ILE N . 52661 1 357 . 1 . 1 79 79 TYR H H 1 8.082 0.002 . . . . . . . 92 TYR H . 52661 1 358 . 1 . 1 79 79 TYR C C 13 172.720 0.030 . . . . . . . 92 TYR CO . 52661 1 359 . 1 . 1 79 79 TYR CA C 13 53.638 0.073 . . . . . . . 92 TYR CA . 52661 1 360 . 1 . 1 79 79 TYR CB C 13 36.240 0.000 . . . . . . . 92 TYR CB . 52661 1 361 . 1 . 1 79 79 TYR N N 15 120.594 0.042 . . . . . . . 92 TYR N . 52661 1 362 . 1 . 1 80 80 GLY H H 1 7.157 0.002 . . . . . . . 93 GLY H . 52661 1 363 . 1 . 1 80 80 GLY C C 13 171.989 0.000 . . . . . . . 93 GLY CO . 52661 1 364 . 1 . 1 80 80 GLY CA C 13 41.291 0.051 . . . . . . . 93 GLY CA . 52661 1 365 . 1 . 1 80 80 GLY N N 15 106.593 0.028 . . . . . . . 93 GLY N . 52661 1 366 . 1 . 1 81 81 SER C C 13 171.744 0.000 . . . . . . . 94 SER CO . 52661 1 367 . 1 . 1 81 81 SER CA C 13 59.762 0.039 . . . . . . . 94 SER CA . 52661 1 368 . 1 . 1 82 82 ARG H H 1 7.878 0.005 . . . . . . . 95 ARG H . 52661 1 369 . 1 . 1 82 82 ARG C C 13 172.618 0.010 . . . . . . . 95 ARG CO . 52661 1 370 . 1 . 1 82 82 ARG CA C 13 50.948 0.056 . . . . . . . 95 ARG CA . 52661 1 371 . 1 . 1 82 82 ARG CB C 13 31.698 0.000 . . . . . . . 95 ARG CB . 52661 1 372 . 1 . 1 82 82 ARG N N 15 115.660 0.024 . . . . . . . 95 ARG N . 52661 1 373 . 1 . 1 83 83 PHE H H 1 9.145 0.002 . . . . . . . 96 PHE H . 52661 1 374 . 1 . 1 83 83 PHE C C 13 170.055 0.000 . . . . . . . 96 PHE CO . 52661 1 375 . 1 . 1 83 83 PHE CA C 13 52.313 0.044 . . . . . . . 96 PHE CA . 52661 1 376 . 1 . 1 83 83 PHE CB C 13 36.836 0.000 . . . . . . . 96 PHE CB . 52661 1 377 . 1 . 1 83 83 PHE N N 15 118.067 0.045 . . . . . . . 96 PHE N . 52661 1 378 . 1 . 1 84 84 PRO C C 13 174.454 0.019 . . . . . . . 97 PRO CO . 52661 1 379 . 1 . 1 84 84 PRO CA C 13 59.956 0.077 . . . . . . . 97 PRO CA . 52661 1 380 . 1 . 1 84 84 PRO CB C 13 30.136 0.000 . . . . . . . 97 PRO CB . 52661 1 381 . 1 . 1 85 85 ASP H H 1 8.772 0.002 . . . . . . . 98 ASP H . 52661 1 382 . 1 . 1 85 85 ASP C C 13 173.817 0.052 . . . . . . . 98 ASP CO . 52661 1 383 . 1 . 1 85 85 ASP CA C 13 52.183 0.093 . . . . . . . 98 ASP CA . 52661 1 384 . 1 . 1 85 85 ASP CB C 13 38.198 0.009 . . . . . . . 98 ASP CB . 52661 1 385 . 1 . 1 85 85 ASP N N 15 119.855 0.019 . . . . . . . 98 ASP N . 52661 1 386 . 1 . 1 86 86 GLU H H 1 9.326 0.002 . . . . . . . 99 GLU H . 52661 1 387 . 1 . 1 86 86 GLU C C 13 173.686 0.022 . . . . . . . 99 GLU CO . 52661 1 388 . 1 . 1 86 86 GLU CA C 13 57.637 0.071 . . . . . . . 99 GLU CA . 52661 1 389 . 1 . 1 86 86 GLU CB C 13 28.875 0.010 . . . . . . . 99 GLU CB . 52661 1 390 . 1 . 1 86 86 GLU N N 15 131.980 0.033 . . . . . . . 99 GLU N . 52661 1 391 . 1 . 1 87 87 ASN H H 1 7.043 0.001 . . . . . . . 100 ASN H . 52661 1 392 . 1 . 1 87 87 ASN C C 13 168.400 0.012 . . . . . . . 100 ASN CO . 52661 1 393 . 1 . 1 87 87 ASN CA C 13 50.275 0.051 . . . . . . . 100 ASN CA . 52661 1 394 . 1 . 1 87 87 ASN CB C 13 36.874 0.018 . . . . . . . 100 ASN CB . 52661 1 395 . 1 . 1 87 87 ASN N N 15 107.039 0.048 . . . . . . . 100 ASN N . 52661 1 396 . 1 . 1 88 88 PHE H H 1 8.311 0.001 . . . . . . . 101 PHE H . 52661 1 397 . 1 . 1 88 88 PHE C C 13 174.902 0.045 . . . . . . . 101 PHE CO . 52661 1 398 . 1 . 1 88 88 PHE CA C 13 53.479 0.112 . . . . . . . 101 PHE CA . 52661 1 399 . 1 . 1 88 88 PHE CB C 13 35.795 0.074 . . . . . . . 101 PHE CB . 52661 1 400 . 1 . 1 88 88 PHE N N 15 113.221 0.018 . . . . . . . 101 PHE N . 52661 1 401 . 1 . 1 89 89 THR H H 1 8.556 0.002 . . . . . . . 102 THR H . 52661 1 402 . 1 . 1 89 89 THR C C 13 173.407 0.014 . . . . . . . 102 THR CO . 52661 1 403 . 1 . 1 89 89 THR CA C 13 64.266 0.087 . . . . . . . 102 THR CA . 52661 1 404 . 1 . 1 89 89 THR CB C 13 66.356 0.012 . . . . . . . 102 THR CB . 52661 1 405 . 1 . 1 89 89 THR N N 15 118.175 0.062 . . . . . . . 102 THR N . 52661 1 406 . 1 . 1 90 90 LEU H H 1 8.146 0.003 . . . . . . . 103 LEU H . 52661 1 407 . 1 . 1 90 90 LEU C C 13 173.608 0.049 . . . . . . . 103 LEU CO . 52661 1 408 . 1 . 1 90 90 LEU CA C 13 51.920 0.050 . . . . . . . 103 LEU CA . 52661 1 409 . 1 . 1 90 90 LEU CB C 13 38.175 0.059 . . . . . . . 103 LEU CB . 52661 1 410 . 1 . 1 90 90 LEU N N 15 118.942 0.077 . . . . . . . 103 LEU N . 52661 1 411 . 1 . 1 91 91 LYS H H 1 8.284 0.001 . . . . . . . 104 LYS H . 52661 1 412 . 1 . 1 91 91 LYS C C 13 174.490 0.042 . . . . . . . 104 LYS CO . 52661 1 413 . 1 . 1 91 91 LYS CA C 13 51.504 0.106 . . . . . . . 104 LYS CA . 52661 1 414 . 1 . 1 91 91 LYS CB C 13 31.750 0.007 . . . . . . . 104 LYS CB . 52661 1 415 . 1 . 1 91 91 LYS N N 15 118.587 0.029 . . . . . . . 104 LYS N . 52661 1 416 . 1 . 1 92 92 HIS H H 1 10.892 0.003 . . . . . . . 105 HIS H . 52661 1 417 . 1 . 1 92 92 HIS C C 13 175.070 0.065 . . . . . . . 105 HIS CO . 52661 1 418 . 1 . 1 92 92 HIS CA C 13 54.231 0.082 . . . . . . . 105 HIS CA . 52661 1 419 . 1 . 1 92 92 HIS CB C 13 23.254 0.007 . . . . . . . 105 HIS CB . 52661 1 420 . 1 . 1 92 92 HIS N N 15 123.547 0.018 . . . . . . . 105 HIS N . 52661 1 421 . 1 . 1 93 93 VAL H H 1 7.044 0.001 . . . . . . . 106 VAL H . 52661 1 422 . 1 . 1 93 93 VAL C C 13 173.912 0.029 . . . . . . . 106 VAL CO . 52661 1 423 . 1 . 1 93 93 VAL CA C 13 60.755 0.051 . . . . . . . 106 VAL CA . 52661 1 424 . 1 . 1 93 93 VAL CB C 13 30.074 0.000 . . . . . . . 106 VAL CB . 52661 1 425 . 1 . 1 93 93 VAL N N 15 113.929 0.023 . . . . . . . 106 VAL N . 52661 1 426 . 1 . 1 94 94 GLY H H 1 7.317 0.003 . . . . . . . 107 GLY H . 52661 1 427 . 1 . 1 94 94 GLY C C 13 166.591 0.000 . . . . . . . 107 GLY CO . 52661 1 428 . 1 . 1 94 94 GLY CA C 13 42.946 0.043 . . . . . . . 107 GLY CA . 52661 1 429 . 1 . 1 94 94 GLY N N 15 105.679 0.025 . . . . . . . 107 GLY N . 52661 1 430 . 1 . 1 95 95 PRO C C 13 174.364 0.009 . . . . . . . 108 PRO CO . 52661 1 431 . 1 . 1 95 95 PRO CA C 13 59.936 0.092 . . . . . . . 108 PRO CA . 52661 1 432 . 1 . 1 95 95 PRO CB C 13 29.357 0.000 . . . . . . . 108 PRO CB . 52661 1 433 . 1 . 1 96 96 GLY H H 1 9.032 0.002 . . . . . . . 109 GLY H . 52661 1 434 . 1 . 1 96 96 GLY C C 13 170.141 0.003 . . . . . . . 109 GLY CO . 52661 1 435 . 1 . 1 96 96 GLY CA C 13 42.341 0.050 . . . . . . . 109 GLY CA . 52661 1 436 . 1 . 1 96 96 GLY N N 15 109.916 0.038 . . . . . . . 109 GLY N . 52661 1 437 . 1 . 1 97 97 VAL H H 1 6.660 0.002 . . . . . . . 110 VAL H . 52661 1 438 . 1 . 1 97 97 VAL C C 13 169.811 0.011 . . . . . . . 110 VAL CO . 52661 1 439 . 1 . 1 97 97 VAL CA C 13 61.857 0.007 . . . . . . . 110 VAL CA . 52661 1 440 . 1 . 1 97 97 VAL CB C 13 31.051 0.006 . . . . . . . 110 VAL CB . 52661 1 441 . 1 . 1 97 97 VAL N N 15 119.612 0.010 . . . . . . . 110 VAL N . 52661 1 442 . 1 . 1 98 98 LEU H H 1 7.382 0.004 . . . . . . . 111 LEU H . 52661 1 443 . 1 . 1 98 98 LEU C C 13 170.528 0.069 . . . . . . . 111 LEU CO . 52661 1 444 . 1 . 1 98 98 LEU CA C 13 50.559 0.063 . . . . . . . 111 LEU CA . 52661 1 445 . 1 . 1 98 98 LEU CB C 13 41.395 0.000 . . . . . . . 111 LEU CB . 52661 1 446 . 1 . 1 98 98 LEU N N 15 129.746 0.022 . . . . . . . 111 LEU N . 52661 1 447 . 1 . 1 99 99 SER H H 1 8.300 0.004 . . . . . . . 112 SER H . 52661 1 448 . 1 . 1 99 99 SER C C 13 171.620 0.011 . . . . . . . 112 SER CO . 52661 1 449 . 1 . 1 99 99 SER CA C 13 52.684 0.077 . . . . . . . 112 SER CA . 52661 1 450 . 1 . 1 99 99 SER CB C 13 62.314 0.033 . . . . . . . 112 SER CB . 52661 1 451 . 1 . 1 99 99 SER N N 15 121.062 0.096 . . . . . . . 112 SER N . 52661 1 452 . 1 . 1 100 100 MET H H 1 8.565 0.003 . . . . . . . 113 MET H . 52661 1 453 . 1 . 1 100 100 MET C C 13 175.782 0.015 . . . . . . . 113 MET CO . 52661 1 454 . 1 . 1 100 100 MET CA C 13 50.930 0.093 . . . . . . . 113 MET CA . 52661 1 455 . 1 . 1 100 100 MET CB C 13 28.531 0.041 . . . . . . . 113 MET CB . 52661 1 456 . 1 . 1 100 100 MET N N 15 123.314 0.043 . . . . . . . 113 MET N . 52661 1 457 . 1 . 1 101 101 ALA H H 1 8.220 0.002 . . . . . . . 114 ALA H . 52661 1 458 . 1 . 1 101 101 ALA C C 13 173.005 0.027 . . . . . . . 114 ALA CO . 52661 1 459 . 1 . 1 101 101 ALA CA C 13 49.221 0.024 . . . . . . . 114 ALA CA . 52661 1 460 . 1 . 1 101 101 ALA CB C 13 17.371 0.003 . . . . . . . 114 ALA CB . 52661 1 461 . 1 . 1 101 101 ALA N N 15 126.390 0.040 . . . . . . . 114 ALA N . 52661 1 462 . 1 . 1 102 102 ASN H H 1 8.416 0.002 . . . . . . . 115 ASN H . 52661 1 463 . 1 . 1 102 102 ASN C C 13 171.127 0.008 . . . . . . . 115 ASN CO . 52661 1 464 . 1 . 1 102 102 ASN CA C 13 51.463 0.051 . . . . . . . 115 ASN CA . 52661 1 465 . 1 . 1 102 102 ASN CB C 13 37.715 0.004 . . . . . . . 115 ASN CB . 52661 1 466 . 1 . 1 102 102 ASN N N 15 113.770 0.042 . . . . . . . 115 ASN N . 52661 1 467 . 1 . 1 103 103 ALA H H 1 8.857 0.003 . . . . . . . 116 ALA H . 52661 1 468 . 1 . 1 103 103 ALA C C 13 174.251 0.008 . . . . . . . 116 ALA CO . 52661 1 469 . 1 . 1 103 103 ALA CA C 13 47.625 0.065 . . . . . . . 116 ALA CA . 52661 1 470 . 1 . 1 103 103 ALA CB C 13 16.692 0.019 . . . . . . . 116 ALA CB . 52661 1 471 . 1 . 1 103 103 ALA N N 15 123.343 0.032 . . . . . . . 116 ALA N . 52661 1 472 . 1 . 1 104 104 GLY H H 1 8.193 0.002 . . . . . . . 117 GLY H . 52661 1 473 . 1 . 1 104 104 GLY C C 13 169.515 0.000 . . . . . . . 117 GLY CO . 52661 1 474 . 1 . 1 104 104 GLY CA C 13 40.864 0.017 . . . . . . . 117 GLY CA . 52661 1 475 . 1 . 1 104 104 GLY N N 15 109.328 0.047 . . . . . . . 117 GLY N . 52661 1 476 . 1 . 1 105 105 PRO C C 13 173.548 0.008 . . . . . . . 118 PRO CO . 52661 1 477 . 1 . 1 105 105 PRO CA C 13 61.364 0.083 . . . . . . . 118 PRO CA . 52661 1 478 . 1 . 1 105 105 PRO CB C 13 29.426 0.000 . . . . . . . 118 PRO CB . 52661 1 479 . 1 . 1 106 106 ASN H H 1 8.974 0.002 . . . . . . . 119 ASN H . 52661 1 480 . 1 . 1 106 106 ASN C C 13 172.339 0.016 . . . . . . . 119 ASN CO . 52661 1 481 . 1 . 1 106 106 ASN CA C 13 51.842 0.069 . . . . . . . 119 ASN CA . 52661 1 482 . 1 . 1 106 106 ASN CB C 13 34.430 0.015 . . . . . . . 119 ASN CB . 52661 1 483 . 1 . 1 106 106 ASN N N 15 118.818 0.013 . . . . . . . 119 ASN N . 52661 1 484 . 1 . 1 107 107 THR H H 1 10.362 0.002 . . . . . . . 120 THR H . 52661 1 485 . 1 . 1 107 107 THR C C 13 170.838 0.015 . . . . . . . 120 THR CO . 52661 1 486 . 1 . 1 107 107 THR CA C 13 57.659 0.046 . . . . . . . 120 THR CA . 52661 1 487 . 1 . 1 107 107 THR CB C 13 66.302 0.011 . . . . . . . 120 THR CB . 52661 1 488 . 1 . 1 107 107 THR N N 15 110.621 0.032 . . . . . . . 120 THR N . 52661 1 489 . 1 . 1 108 108 ASN H H 1 7.123 0.002 . . . . . . . 121 ASN H . 52661 1 490 . 1 . 1 108 108 ASN C C 13 171.637 0.004 . . . . . . . 121 ASN CO . 52661 1 491 . 1 . 1 108 108 ASN CA C 13 53.064 0.013 . . . . . . . 121 ASN CA . 52661 1 492 . 1 . 1 108 108 ASN CB C 13 37.032 0.017 . . . . . . . 121 ASN CB . 52661 1 493 . 1 . 1 108 108 ASN N N 15 120.202 0.038 . . . . . . . 121 ASN N . 52661 1 494 . 1 . 1 109 109 GLY H H 1 9.189 0.002 . . . . . . . 122 GLY H . 52661 1 495 . 1 . 1 109 109 GLY C C 13 168.252 0.017 . . . . . . . 122 GLY CO . 52661 1 496 . 1 . 1 109 109 GLY CA C 13 43.224 0.090 . . . . . . . 122 GLY CA . 52661 1 497 . 1 . 1 109 109 GLY N N 15 110.996 0.038 . . . . . . . 122 GLY N . 52661 1 498 . 1 . 1 110 110 SER H H 1 8.894 0.003 . . . . . . . 123 SER H . 52661 1 499 . 1 . 1 110 110 SER C C 13 173.601 0.014 . . . . . . . 123 SER CO . 52661 1 500 . 1 . 1 110 110 SER CA C 13 55.046 0.097 . . . . . . . 123 SER CA . 52661 1 501 . 1 . 1 110 110 SER CB C 13 63.523 0.000 . . . . . . . 123 SER CB . 52661 1 502 . 1 . 1 110 110 SER N N 15 117.238 0.012 . . . . . . . 123 SER N . 52661 1 503 . 1 . 1 111 111 GLN H H 1 8.487 0.004 . . . . . . . 124 GLN H . 52661 1 504 . 1 . 1 111 111 GLN C C 13 172.565 0.008 . . . . . . . 124 GLN CO . 52661 1 505 . 1 . 1 111 111 GLN CA C 13 55.192 0.068 . . . . . . . 124 GLN CA . 52661 1 506 . 1 . 1 111 111 GLN CB C 13 29.352 0.000 . . . . . . . 124 GLN CB . 52661 1 507 . 1 . 1 111 111 GLN N N 15 124.723 0.066 . . . . . . . 124 GLN N . 52661 1 508 . 1 . 1 112 112 PHE H H 1 8.809 0.002 . . . . . . . 125 PHE H . 52661 1 509 . 1 . 1 112 112 PHE C C 13 168.919 0.000 . . . . . . . 125 PHE CO . 52661 1 510 . 1 . 1 112 112 PHE CA C 13 52.641 0.071 . . . . . . . 125 PHE CA . 52661 1 511 . 1 . 1 112 112 PHE CB C 13 40.425 0.000 . . . . . . . 125 PHE CB . 52661 1 512 . 1 . 1 112 112 PHE N N 15 118.974 0.030 . . . . . . . 125 PHE N . 52661 1 513 . 1 . 1 113 113 PHE H H 1 9.730 0.002 . . . . . . . 126 PHE H . 52661 1 514 . 1 . 1 113 113 PHE C C 13 170.659 0.021 . . . . . . . 126 PHE CO . 52661 1 515 . 1 . 1 113 113 PHE CA C 13 52.266 0.036 . . . . . . . 126 PHE CA . 52661 1 516 . 1 . 1 113 113 PHE CB C 13 41.193 0.031 . . . . . . . 126 PHE CB . 52661 1 517 . 1 . 1 113 113 PHE N N 15 115.228 0.017 . . . . . . . 126 PHE N . 52661 1 518 . 1 . 1 114 114 ILE H H 1 8.776 0.003 . . . . . . . 127 ILE H . 52661 1 519 . 1 . 1 114 114 ILE C C 13 174.748 0.007 . . . . . . . 127 ILE CO . 52661 1 520 . 1 . 1 114 114 ILE CA C 13 56.718 0.094 . . . . . . . 127 ILE CA . 52661 1 521 . 1 . 1 114 114 ILE CB C 13 38.156 0.013 . . . . . . . 127 ILE CB . 52661 1 522 . 1 . 1 114 114 ILE N N 15 117.518 0.022 . . . . . . . 127 ILE N . 52661 1 523 . 1 . 1 115 115 CYS H H 1 9.130 0.002 . . . . . . . 128 CYS H . 52661 1 524 . 1 . 1 115 115 CYS C C 13 173.937 0.008 . . . . . . . 128 CYS CO . 52661 1 525 . 1 . 1 115 115 CYS CA C 13 57.715 0.074 . . . . . . . 128 CYS CA . 52661 1 526 . 1 . 1 115 115 CYS CB C 13 26.598 0.040 . . . . . . . 128 CYS CB . 52661 1 527 . 1 . 1 115 115 CYS N N 15 125.664 0.028 . . . . . . . 128 CYS N . 52661 1 528 . 1 . 1 116 116 THR H H 1 8.872 0.002 . . . . . . . 129 THR H . 52661 1 529 . 1 . 1 116 116 THR C C 13 169.973 0.011 . . . . . . . 129 THR CO . 52661 1 530 . 1 . 1 116 116 THR CA C 13 58.513 0.039 . . . . . . . 129 THR CA . 52661 1 531 . 1 . 1 116 116 THR CB C 13 64.906 0.009 . . . . . . . 129 THR CB . 52661 1 532 . 1 . 1 116 116 THR N N 15 113.674 0.056 . . . . . . . 129 THR N . 52661 1 533 . 1 . 1 117 117 ILE H H 1 7.623 0.001 . . . . . . . 130 ILE H . 52661 1 534 . 1 . 1 117 117 ILE C C 13 171.007 0.003 . . . . . . . 130 ILE CO . 52661 1 535 . 1 . 1 117 117 ILE CA C 13 57.122 0.043 . . . . . . . 130 ILE CA . 52661 1 536 . 1 . 1 117 117 ILE CB C 13 41.456 0.032 . . . . . . . 130 ILE CB . 52661 1 537 . 1 . 1 117 117 ILE N N 15 118.149 0.018 . . . . . . . 130 ILE N . 52661 1 538 . 1 . 1 118 118 LYS H H 1 8.300 0.002 . . . . . . . 131 LYS H . 52661 1 539 . 1 . 1 118 118 LYS C C 13 172.529 0.001 . . . . . . . 131 LYS CO . 52661 1 540 . 1 . 1 118 118 LYS CA C 13 54.815 0.104 . . . . . . . 131 LYS CA . 52661 1 541 . 1 . 1 118 118 LYS CB C 13 30.445 0.011 . . . . . . . 131 LYS CB . 52661 1 542 . 1 . 1 118 118 LYS N N 15 120.996 0.026 . . . . . . . 131 LYS N . 52661 1 543 . 1 . 1 119 119 THR H H 1 7.840 0.002 . . . . . . . 132 THR H . 52661 1 544 . 1 . 1 119 119 THR C C 13 174.304 0.022 . . . . . . . 132 THR CO . 52661 1 545 . 1 . 1 119 119 THR CA C 13 54.511 0.046 . . . . . . . 132 THR CA . 52661 1 546 . 1 . 1 119 119 THR CB C 13 65.318 0.089 . . . . . . . 132 THR CB . 52661 1 547 . 1 . 1 119 119 THR N N 15 121.296 0.016 . . . . . . . 132 THR N . 52661 1 548 . 1 . 1 120 120 ASP H H 1 8.422 0.002 . . . . . . . 133 ASP H . 52661 1 549 . 1 . 1 120 120 ASP C C 13 174.547 0.063 . . . . . . . 133 ASP CO . 52661 1 550 . 1 . 1 120 120 ASP CA C 13 53.775 0.062 . . . . . . . 133 ASP CA . 52661 1 551 . 1 . 1 120 120 ASP CB C 13 36.931 0.022 . . . . . . . 133 ASP CB . 52661 1 552 . 1 . 1 120 120 ASP N N 15 121.669 0.054 . . . . . . . 133 ASP N . 52661 1 553 . 1 . 1 121 121 TRP H H 1 7.387 0.003 . . . . . . . 134 TRP H . 52661 1 554 . 1 . 1 121 121 TRP HE1 H 1 9.973 0.000 . . . . . . . 134 TRP HE1 . 52661 1 555 . 1 . 1 121 121 TRP C C 13 173.600 0.037 . . . . . . . 134 TRP CO . 52661 1 556 . 1 . 1 121 121 TRP CA C 13 57.182 0.081 . . . . . . . 134 TRP CA . 52661 1 557 . 1 . 1 121 121 TRP CB C 13 24.291 0.007 . . . . . . . 134 TRP CB . 52661 1 558 . 1 . 1 121 121 TRP N N 15 118.407 0.053 . . . . . . . 134 TRP N . 52661 1 559 . 1 . 1 121 121 TRP NE1 N 15 130.366 0.000 . . . . . . . 134 TRP NE1 . 52661 1 560 . 1 . 1 122 122 LEU H H 1 7.145 0.002 . . . . . . . 135 LEU H . 52661 1 561 . 1 . 1 122 122 LEU C C 13 174.694 0.056 . . . . . . . 135 LEU CO . 52661 1 562 . 1 . 1 122 122 LEU CA C 13 51.757 0.082 . . . . . . . 135 LEU CA . 52661 1 563 . 1 . 1 122 122 LEU CB C 13 36.216 0.135 . . . . . . . 135 LEU CB . 52661 1 564 . 1 . 1 122 122 LEU N N 15 120.052 0.026 . . . . . . . 135 LEU N . 52661 1 565 . 1 . 1 123 123 ASP H H 1 7.581 0.002 . . . . . . . 136 ASP H . 52661 1 566 . 1 . 1 123 123 ASP C C 13 175.658 0.008 . . . . . . . 136 ASP CO . 52661 1 567 . 1 . 1 123 123 ASP CA C 13 53.307 0.026 . . . . . . . 136 ASP CA . 52661 1 568 . 1 . 1 123 123 ASP CB C 13 36.719 0.010 . . . . . . . 136 ASP CB . 52661 1 569 . 1 . 1 123 123 ASP N N 15 122.826 0.031 . . . . . . . 136 ASP N . 52661 1 570 . 1 . 1 124 124 GLY H H 1 9.531 0.002 . . . . . . . 137 GLY H . 52661 1 571 . 1 . 1 124 124 GLY C C 13 169.604 0.018 . . . . . . . 137 GLY CO . 52661 1 572 . 1 . 1 124 124 GLY CA C 13 42.379 0.043 . . . . . . . 137 GLY CA . 52661 1 573 . 1 . 1 124 124 GLY N N 15 111.555 0.057 . . . . . . . 137 GLY N . 52661 1 574 . 1 . 1 125 125 LYS H H 1 7.891 0.003 . . . . . . . 138 LYS H . 52661 1 575 . 1 . 1 125 125 LYS C C 13 172.870 0.014 . . . . . . . 138 LYS CO . 52661 1 576 . 1 . 1 125 125 LYS CA C 13 53.791 0.031 . . . . . . . 138 LYS CA . 52661 1 577 . 1 . 1 125 125 LYS CB C 13 32.605 0.054 . . . . . . . 138 LYS CB . 52661 1 578 . 1 . 1 125 125 LYS N N 15 115.717 0.041 . . . . . . . 138 LYS N . 52661 1 579 . 1 . 1 126 126 HIS H H 1 7.544 0.002 . . . . . . . 139 HIS H . 52661 1 580 . 1 . 1 126 126 HIS C C 13 171.119 0.018 . . . . . . . 139 HIS CO . 52661 1 581 . 1 . 1 126 126 HIS CA C 13 52.317 0.037 . . . . . . . 139 HIS CA . 52661 1 582 . 1 . 1 126 126 HIS CB C 13 29.300 0.102 . . . . . . . 139 HIS CB . 52661 1 583 . 1 . 1 126 126 HIS N N 15 119.260 0.035 . . . . . . . 139 HIS N . 52661 1 584 . 1 . 1 127 127 VAL H H 1 8.577 0.002 . . . . . . . 140 VAL H . 52661 1 585 . 1 . 1 127 127 VAL C C 13 172.371 0.013 . . . . . . . 140 VAL CO . 52661 1 586 . 1 . 1 127 127 VAL CA C 13 61.140 0.058 . . . . . . . 140 VAL CA . 52661 1 587 . 1 . 1 127 127 VAL CB C 13 30.612 0.004 . . . . . . . 140 VAL CB . 52661 1 588 . 1 . 1 127 127 VAL N N 15 124.623 0.035 . . . . . . . 140 VAL N . 52661 1 589 . 1 . 1 128 128 VAL H H 1 9.666 0.003 . . . . . . . 141 VAL H . 52661 1 590 . 1 . 1 128 128 VAL C C 13 174.437 0.027 . . . . . . . 141 VAL CO . 52661 1 591 . 1 . 1 128 128 VAL CA C 13 60.210 0.012 . . . . . . . 141 VAL CA . 52661 1 592 . 1 . 1 128 128 VAL CB C 13 28.361 0.000 . . . . . . . 141 VAL CB . 52661 1 593 . 1 . 1 128 128 VAL N N 15 133.567 0.059 . . . . . . . 141 VAL N . 52661 1 594 . 1 . 1 129 129 PHE H H 1 8.249 0.004 . . . . . . . 142 PHE H . 52661 1 595 . 1 . 1 129 129 PHE C C 13 170.572 0.030 . . . . . . . 142 PHE CO . 52661 1 596 . 1 . 1 129 129 PHE CA C 13 52.529 0.068 . . . . . . . 142 PHE CA . 52661 1 597 . 1 . 1 129 129 PHE CB C 13 39.370 0.000 . . . . . . . 142 PHE CB . 52661 1 598 . 1 . 1 129 129 PHE N N 15 117.728 0.033 . . . . . . . 142 PHE N . 52661 1 599 . 1 . 1 130 130 GLY H H 1 7.302 0.002 . . . . . . . 143 GLY H . 52661 1 600 . 1 . 1 130 130 GLY C C 13 168.897 0.010 . . . . . . . 143 GLY CO . 52661 1 601 . 1 . 1 130 130 GLY CA C 13 44.221 0.032 . . . . . . . 143 GLY CA . 52661 1 602 . 1 . 1 130 130 GLY N N 15 107.454 0.021 . . . . . . . 143 GLY N . 52661 1 603 . 1 . 1 131 131 HIS H H 1 8.489 0.002 . . . . . . . 144 HIS H . 52661 1 604 . 1 . 1 131 131 HIS C C 13 171.445 0.024 . . . . . . . 144 HIS CO . 52661 1 605 . 1 . 1 131 131 HIS CA C 13 52.823 0.092 . . . . . . . 144 HIS CA . 52661 1 606 . 1 . 1 131 131 HIS CB C 13 31.990 0.023 . . . . . . . 144 HIS CB . 52661 1 607 . 1 . 1 131 131 HIS N N 15 119.108 0.017 . . . . . . . 144 HIS N . 52661 1 608 . 1 . 1 132 132 VAL H H 1 8.703 0.001 . . . . . . . 145 VAL H . 52661 1 609 . 1 . 1 132 132 VAL C C 13 172.478 0.018 . . . . . . . 145 VAL CO . 52661 1 610 . 1 . 1 132 132 VAL CA C 13 61.595 0.125 . . . . . . . 145 VAL CA . 52661 1 611 . 1 . 1 132 132 VAL CB C 13 29.797 0.002 . . . . . . . 145 VAL CB . 52661 1 612 . 1 . 1 132 132 VAL N N 15 122.664 0.029 . . . . . . . 145 VAL N . 52661 1 613 . 1 . 1 133 133 LYS H H 1 9.623 0.003 . . . . . . . 146 LYS H . 52661 1 614 . 1 . 1 133 133 LYS C C 13 173.456 0.011 . . . . . . . 146 LYS CO . 52661 1 615 . 1 . 1 133 133 LYS CA C 13 53.919 0.028 . . . . . . . 146 LYS CA . 52661 1 616 . 1 . 1 133 133 LYS CB C 13 32.449 0.056 . . . . . . . 146 LYS CB . 52661 1 617 . 1 . 1 133 133 LYS N N 15 132.248 0.041 . . . . . . . 146 LYS N . 52661 1 618 . 1 . 1 134 134 GLU H H 1 7.946 0.002 . . . . . . . 147 GLU H . 52661 1 619 . 1 . 1 134 134 GLU C C 13 172.668 0.004 . . . . . . . 147 GLU CO . 52661 1 620 . 1 . 1 134 134 GLU CA C 13 52.443 0.019 . . . . . . . 147 GLU CA . 52661 1 621 . 1 . 1 134 134 GLU CB C 13 30.975 0.000 . . . . . . . 147 GLU CB . 52661 1 622 . 1 . 1 134 134 GLU N N 15 115.780 0.050 . . . . . . . 147 GLU N . 52661 1 623 . 1 . 1 135 135 GLY H H 1 8.873 0.002 . . . . . . . 148 GLY H . 52661 1 624 . 1 . 1 135 135 GLY C C 13 174.658 0.000 . . . . . . . 148 GLY CO . 52661 1 625 . 1 . 1 135 135 GLY CA C 13 43.637 0.043 . . . . . . . 148 GLY CA . 52661 1 626 . 1 . 1 135 135 GLY N N 15 109.008 0.042 . . . . . . . 148 GLY N . 52661 1 627 . 1 . 1 136 136 MET H H 1 9.031 0.001 . . . . . . . 149 MET H . 52661 1 628 . 1 . 1 136 136 MET C C 13 175.652 0.012 . . . . . . . 149 MET CO . 52661 1 629 . 1 . 1 136 136 MET CA C 13 54.035 0.084 . . . . . . . 149 MET CA . 52661 1 630 . 1 . 1 136 136 MET CB C 13 27.032 0.037 . . . . . . . 149 MET CB . 52661 1 631 . 1 . 1 136 136 MET N N 15 122.574 0.022 . . . . . . . 149 MET N . 52661 1 632 . 1 . 1 137 137 ASP H H 1 9.177 0.002 . . . . . . . 150 ASP H . 52661 1 633 . 1 . 1 137 137 ASP C C 13 176.121 0.061 . . . . . . . 150 ASP CO . 52661 1 634 . 1 . 1 137 137 ASP CA C 13 54.051 0.058 . . . . . . . 150 ASP CA . 52661 1 635 . 1 . 1 137 137 ASP CB C 13 36.315 0.004 . . . . . . . 150 ASP CB . 52661 1 636 . 1 . 1 137 137 ASP N N 15 116.806 0.027 . . . . . . . 150 ASP N . 52661 1 637 . 1 . 1 138 138 VAL H H 1 7.474 0.002 . . . . . . . 151 VAL H . 52661 1 638 . 1 . 1 138 138 VAL C C 13 175.539 0.078 . . . . . . . 151 VAL CO . 52661 1 639 . 1 . 1 138 138 VAL CA C 13 63.465 0.031 . . . . . . . 151 VAL CA . 52661 1 640 . 1 . 1 138 138 VAL CB C 13 28.288 0.006 . . . . . . . 151 VAL CB . 52661 1 641 . 1 . 1 138 138 VAL N N 15 123.990 0.035 . . . . . . . 151 VAL N . 52661 1 642 . 1 . 1 139 139 VAL H H 1 7.564 0.003 . . . . . . . 152 VAL H . 52661 1 643 . 1 . 1 139 139 VAL C C 13 174.861 0.012 . . . . . . . 152 VAL CO . 52661 1 644 . 1 . 1 139 139 VAL CA C 13 64.364 0.056 . . . . . . . 152 VAL CA . 52661 1 645 . 1 . 1 139 139 VAL CB C 13 27.529 0.058 . . . . . . . 152 VAL CB . 52661 1 646 . 1 . 1 139 139 VAL N N 15 120.908 0.023 . . . . . . . 152 VAL N . 52661 1 647 . 1 . 1 140 140 LYS H H 1 8.168 0.002 . . . . . . . 153 LYS H . 52661 1 648 . 1 . 1 140 140 LYS C C 13 177.184 0.100 . . . . . . . 153 LYS CO . 52661 1 649 . 1 . 1 140 140 LYS CA C 13 55.400 0.058 . . . . . . . 153 LYS CA . 52661 1 650 . 1 . 1 140 140 LYS CB C 13 27.541 0.046 . . . . . . . 153 LYS CB . 52661 1 651 . 1 . 1 140 140 LYS N N 15 117.273 0.012 . . . . . . . 153 LYS N . 52661 1 652 . 1 . 1 141 141 LYS H H 1 7.558 0.002 . . . . . . . 154 LYS H . 52661 1 653 . 1 . 1 141 141 LYS C C 13 176.598 0.037 . . . . . . . 154 LYS CO . 52661 1 654 . 1 . 1 141 141 LYS CA C 13 56.865 0.051 . . . . . . . 154 LYS CA . 52661 1 655 . 1 . 1 141 141 LYS CB C 13 30.034 0.000 . . . . . . . 154 LYS CB . 52661 1 656 . 1 . 1 141 141 LYS N N 15 120.972 0.023 . . . . . . . 154 LYS N . 52661 1 657 . 1 . 1 142 142 ILE H H 1 8.148 0.002 . . . . . . . 155 ILE H . 52661 1 658 . 1 . 1 142 142 ILE C C 13 174.790 0.004 . . . . . . . 155 ILE CO . 52661 1 659 . 1 . 1 142 142 ILE CA C 13 64.413 0.069 . . . . . . . 155 ILE CA . 52661 1 660 . 1 . 1 142 142 ILE CB C 13 35.302 0.047 . . . . . . . 155 ILE CB . 52661 1 661 . 1 . 1 142 142 ILE N N 15 121.080 0.018 . . . . . . . 155 ILE N . 52661 1 662 . 1 . 1 143 143 GLU H H 1 8.254 0.001 . . . . . . . 156 GLU H . 52661 1 663 . 1 . 1 143 143 GLU C C 13 175.318 0.027 . . . . . . . 156 GLU CO . 52661 1 664 . 1 . 1 143 143 GLU CA C 13 56.027 0.064 . . . . . . . 156 GLU CA . 52661 1 665 . 1 . 1 143 143 GLU CB C 13 28.057 0.035 . . . . . . . 156 GLU CB . 52661 1 666 . 1 . 1 143 143 GLU N N 15 117.632 0.023 . . . . . . . 156 GLU N . 52661 1 667 . 1 . 1 144 144 SER H H 1 7.344 0.002 . . . . . . . 157 SER H . 52661 1 668 . 1 . 1 144 144 SER C C 13 172.272 0.000 . . . . . . . 157 SER CO . 52661 1 669 . 1 . 1 144 144 SER CA C 13 58.552 0.776 . . . . . . . 157 SER CA . 52661 1 670 . 1 . 1 144 144 SER CB C 13 60.221 0.000 . . . . . . . 157 SER CB . 52661 1 671 . 1 . 1 144 144 SER N N 15 113.536 0.052 . . . . . . . 157 SER N . 52661 1 672 . 1 . 1 145 145 PHE H H 1 7.727 0.001 . . . . . . . 158 PHE H . 52661 1 673 . 1 . 1 145 145 PHE C C 13 173.584 0.007 . . . . . . . 158 PHE CO . 52661 1 674 . 1 . 1 145 145 PHE CA C 13 54.887 0.067 . . . . . . . 158 PHE CA . 52661 1 675 . 1 . 1 145 145 PHE CB C 13 36.479 0.000 . . . . . . . 158 PHE CB . 52661 1 676 . 1 . 1 145 145 PHE N N 15 119.749 0.016 . . . . . . . 158 PHE N . 52661 1 677 . 1 . 1 146 146 GLY H H 1 7.841 0.002 . . . . . . . 159 GLY H . 52661 1 678 . 1 . 1 146 146 GLY C C 13 169.310 0.009 . . . . . . . 159 GLY CO . 52661 1 679 . 1 . 1 146 146 GLY CA C 13 41.680 0.040 . . . . . . . 159 GLY CA . 52661 1 680 . 1 . 1 146 146 GLY N N 15 105.410 0.054 . . . . . . . 159 GLY N . 52661 1 681 . 1 . 1 147 147 SER H H 1 8.264 0.002 . . . . . . . 160 SER H . 52661 1 682 . 1 . 1 147 147 SER C C 13 172.717 0.000 . . . . . . . 160 SER CO . 52661 1 683 . 1 . 1 147 147 SER CA C 13 55.466 0.056 . . . . . . . 160 SER CA . 52661 1 684 . 1 . 1 147 147 SER CB C 13 63.704 0.000 . . . . . . . 160 SER CB . 52661 1 685 . 1 . 1 147 147 SER N N 15 110.275 0.066 . . . . . . . 160 SER N . 52661 1 686 . 1 . 1 149 149 SER C C 13 173.090 0.000 . . . . . . . 162 SER CO . 52661 1 687 . 1 . 1 149 149 SER CA C 13 56.639 0.133 . . . . . . . 162 SER CA . 52661 1 688 . 1 . 1 149 149 SER CB C 13 61.806 0.000 . . . . . . . 162 SER CB . 52661 1 689 . 1 . 1 150 150 GLY H H 1 8.110 0.002 . . . . . . . 163 GLY H . 52661 1 690 . 1 . 1 150 150 GLY C C 13 170.418 0.003 . . . . . . . 163 GLY CO . 52661 1 691 . 1 . 1 150 150 GLY CA C 13 41.771 0.030 . . . . . . . 163 GLY CA . 52661 1 692 . 1 . 1 150 150 GLY N N 15 113.350 0.029 . . . . . . . 163 GLY N . 52661 1 693 . 1 . 1 151 151 ARG H H 1 7.358 0.002 . . . . . . . 164 ARG H . 52661 1 694 . 1 . 1 151 151 ARG C C 13 175.703 0.010 . . . . . . . 164 ARG CO . 52661 1 695 . 1 . 1 151 151 ARG CA C 13 53.989 0.045 . . . . . . . 164 ARG CA . 52661 1 696 . 1 . 1 151 151 ARG CB C 13 28.002 0.006 . . . . . . . 164 ARG CB . 52661 1 697 . 1 . 1 151 151 ARG N N 15 119.358 0.013 . . . . . . . 164 ARG N . 52661 1 698 . 1 . 1 152 152 THR H H 1 8.810 0.002 . . . . . . . 165 THR H . 52661 1 699 . 1 . 1 152 152 THR C C 13 173.499 0.005 . . . . . . . 165 THR CO . 52661 1 700 . 1 . 1 152 152 THR CA C 13 57.162 0.036 . . . . . . . 165 THR CA . 52661 1 701 . 1 . 1 152 152 THR CB C 13 68.750 0.012 . . . . . . . 165 THR CB . 52661 1 702 . 1 . 1 152 152 THR N N 15 116.372 0.029 . . . . . . . 165 THR N . 52661 1 703 . 1 . 1 153 153 SER H H 1 9.494 0.002 . . . . . . . 166 SER H . 52661 1 704 . 1 . 1 153 153 SER C C 13 172.029 0.000 . . . . . . . 166 SER CO . 52661 1 705 . 1 . 1 153 153 SER CA C 13 56.267 0.018 . . . . . . . 166 SER CA . 52661 1 706 . 1 . 1 153 153 SER CB C 13 60.824 0.020 . . . . . . . 166 SER CB . 52661 1 707 . 1 . 1 153 153 SER N N 15 116.755 0.019 . . . . . . . 166 SER N . 52661 1 708 . 1 . 1 154 154 LYS H H 1 7.373 0.003 . . . . . . . 167 LYS H . 52661 1 709 . 1 . 1 154 154 LYS C C 13 171.274 0.007 . . . . . . . 167 LYS CO . 52661 1 710 . 1 . 1 154 154 LYS CA C 13 51.509 0.031 . . . . . . . 167 LYS CA . 52661 1 711 . 1 . 1 154 154 LYS CB C 13 35.330 0.116 . . . . . . . 167 LYS CB . 52661 1 712 . 1 . 1 154 154 LYS N N 15 118.208 0.028 . . . . . . . 167 LYS N . 52661 1 713 . 1 . 1 155 155 LYS H H 1 8.461 0.002 . . . . . . . 168 LYS H . 52661 1 714 . 1 . 1 155 155 LYS C C 13 173.232 0.082 . . . . . . . 168 LYS CO . 52661 1 715 . 1 . 1 155 155 LYS CA C 13 54.136 0.094 . . . . . . . 168 LYS CA . 52661 1 716 . 1 . 1 155 155 LYS CB C 13 29.605 0.046 . . . . . . . 168 LYS CB . 52661 1 717 . 1 . 1 155 155 LYS N N 15 122.659 0.098 . . . . . . . 168 LYS N . 52661 1 718 . 1 . 1 156 156 ILE H H 1 9.360 0.003 . . . . . . . 169 ILE H . 52661 1 719 . 1 . 1 156 156 ILE C C 13 172.680 0.055 . . . . . . . 169 ILE CO . 52661 1 720 . 1 . 1 156 156 ILE CA C 13 56.923 0.063 . . . . . . . 169 ILE CA . 52661 1 721 . 1 . 1 156 156 ILE CB C 13 34.879 0.039 . . . . . . . 169 ILE CB . 52661 1 722 . 1 . 1 156 156 ILE N N 15 133.740 0.039 . . . . . . . 169 ILE N . 52661 1 723 . 1 . 1 157 157 VAL H H 1 8.691 0.001 . . . . . . . 170 VAL H . 52661 1 724 . 1 . 1 157 157 VAL C C 13 172.461 0.029 . . . . . . . 170 VAL CO . 52661 1 725 . 1 . 1 157 157 VAL CA C 13 58.689 0.009 . . . . . . . 170 VAL CA . 52661 1 726 . 1 . 1 157 157 VAL CB C 13 33.104 0.113 . . . . . . . 170 VAL CB . 52661 1 727 . 1 . 1 157 157 VAL N N 15 128.241 0.075 . . . . . . . 170 VAL N . 52661 1 728 . 1 . 1 158 158 ILE H H 1 9.044 0.002 . . . . . . . 171 ILE H . 52661 1 729 . 1 . 1 158 158 ILE C C 13 171.811 0.030 . . . . . . . 171 ILE CO . 52661 1 730 . 1 . 1 158 158 ILE CA C 13 58.031 0.072 . . . . . . . 171 ILE CA . 52661 1 731 . 1 . 1 158 158 ILE CB C 13 34.392 0.024 . . . . . . . 171 ILE CB . 52661 1 732 . 1 . 1 158 158 ILE N N 15 125.953 0.047 . . . . . . . 171 ILE N . 52661 1 733 . 1 . 1 159 159 THR H H 1 8.841 0.002 . . . . . . . 172 THR H . 52661 1 734 . 1 . 1 159 159 THR C C 13 173.019 0.060 . . . . . . . 172 THR CO . 52661 1 735 . 1 . 1 159 159 THR CA C 13 61.694 0.075 . . . . . . . 172 THR CA . 52661 1 736 . 1 . 1 159 159 THR CB C 13 66.257 0.008 . . . . . . . 172 THR CB . 52661 1 737 . 1 . 1 159 159 THR N N 15 125.578 0.030 . . . . . . . 172 THR N . 52661 1 738 . 1 . 1 160 160 ASP H H 1 8.107 0.002 . . . . . . . 173 ASP H . 52661 1 739 . 1 . 1 160 160 ASP C C 13 169.653 0.005 . . . . . . . 173 ASP O . 52661 1 740 . 1 . 1 160 160 ASP CA C 13 50.751 0.046 . . . . . . . 173 ASP CA . 52661 1 741 . 1 . 1 160 160 ASP CB C 13 42.069 0.004 . . . . . . . 173 ASP CB . 52661 1 742 . 1 . 1 160 160 ASP N N 15 115.333 0.029 . . . . . . . 173 ASP N . 52661 1 743 . 1 . 1 161 161 CYS H H 1 8.223 0.002 . . . . . . . 174 CYS H . 52661 1 744 . 1 . 1 161 161 CYS C C 13 169.389 0.018 . . . . . . . 174 CYS CO . 52661 1 745 . 1 . 1 161 161 CYS CA C 13 52.388 0.022 . . . . . . . 174 CYS CA . 52661 1 746 . 1 . 1 161 161 CYS CB C 13 28.126 0.000 . . . . . . . 174 CYS CB . 52661 1 747 . 1 . 1 161 161 CYS N N 15 115.565 0.019 . . . . . . . 174 CYS N . 52661 1 748 . 1 . 1 162 162 GLY H H 1 6.567 0.001 . . . . . . . 175 GLY H . 52661 1 749 . 1 . 1 162 162 GLY C C 13 167.290 0.006 . . . . . . . 175 GLY CO . 52661 1 750 . 1 . 1 162 162 GLY CA C 13 42.776 0.053 . . . . . . . 175 GLY CA . 52661 1 751 . 1 . 1 162 162 GLY N N 15 101.585 0.063 . . . . . . . 175 GLY N . 52661 1 752 . 1 . 1 163 163 GLN H H 1 9.133 0.002 . . . . . . . 176 GLN H . 52661 1 753 . 1 . 1 163 163 GLN C C 13 172.673 0.012 . . . . . . . 176 GLN CO . 52661 1 754 . 1 . 1 163 163 GLN CA C 13 52.169 0.061 . . . . . . . 176 GLN CA . 52661 1 755 . 1 . 1 163 163 GLN CB C 13 28.171 0.007 . . . . . . . 176 GLN CB . 52661 1 756 . 1 . 1 163 163 GLN N N 15 120.879 0.018 . . . . . . . 176 GLN N . 52661 1 757 . 1 . 1 164 164 LEU H H 1 9.145 0.002 . . . . . . . 177 LEU H . 52661 1 758 . 1 . 1 164 164 LEU C C 13 173.880 0.020 . . . . . . . 177 LEU CO . 52661 1 759 . 1 . 1 164 164 LEU CA C 13 52.941 0.037 . . . . . . . 177 LEU CA . 52661 1 760 . 1 . 1 164 164 LEU CB C 13 40.867 0.015 . . . . . . . 177 LEU CB . 52661 1 761 . 1 . 1 164 164 LEU N N 15 127.218 0.067 . . . . . . . 177 LEU N . 52661 1 762 . 1 . 1 165 165 SER H H 1 8.127 0.001 . . . . . . . 178 SER H . 52661 1 763 . 1 . 1 165 165 SER CA C 13 57.377 0.057 . . . . . . . 178 SER CA . 52661 1 764 . 1 . 1 165 165 SER CB C 13 61.892 0.000 . . . . . . . 178 SER CB . 52661 1 765 . 1 . 1 165 165 SER N N 15 120.335 0.008 . . . . . . . 178 SER N . 52661 1 stop_ save_