data_27300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27300 _Entry.Title ; Backbone HN, N, CA, and CB assignment of human UBC9_P123L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-02 _Entry.Accession_date 2017-11-02 _Entry.Last_release_date 2017-11-02 _Entry.Original_release_date 2017-11-02 _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 . _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 William Placzek . WJP . . 27300 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . UAB . 27300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 27300 '15N chemical shifts' 129 27300 '1H chemical shifts' 129 27300 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 . . 2019-02-19 2018-01-01 update BMRB 'update entry citation' 27300 1 . . 2019-01-10 2018-01-01 original author 'original release' 27300 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30574775 _Citation.Full_citation . _Citation.Title ; UBC9 mutant reveals the impact of protein dynamics on substrate selectivity and SUMO chain linkages ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 6 _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 621 _Citation.Page_last 632 _Citation.Year 2019 _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 Christine Wright . M. . . 27300 1 2 Robert Whitaker . H. . . 27300 1 3 Joshua Onuiri . E. . . 27300 1 4 Tessa Blackburn . . . . 27300 1 5 Sierra McGarity . . . . 27300 1 6 Mary-Ann Bjornsti . . . . 27300 1 7 William Placzek . J. . . 27300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27300 _Assembly.ID 1 _Assembly.Name 'UBC9_P123L monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20170 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UBC9_P123L monomer' 1 $UBC9(P123L) A . yes native no no . . . 27300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBC9(P123L) _Entity.Sf_category entity _Entity.Sf_framecode UBC9(P123L) _Entity.Entry_ID 27300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBC9(P123L) _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 ; MGSSHHHHHHSSGLVPRGSH MSGIALSRLAQERKAWRKDH PFGFVAVPTKNPDGTMNLMN WECAIPGKKGTPWEGGLFKL RMLFKDDYPSSPPKCKFEPP LFHPNVYPSGTVCLSILEED KDWRPAITIKQILLGIQELL NELNIQDPAQAEAYTIYCQN RVEYEKRVRAQAKKFAPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -19 to 0 are part of the His tag and were not assigned, 1 corresponds with the native residue M1.' _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 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -19 MET . 27300 1 2 -18 GLY . 27300 1 3 -17 SER . 27300 1 4 -16 SER . 27300 1 5 -15 HIS . 27300 1 6 -14 HIS . 27300 1 7 -13 HIS . 27300 1 8 -12 HIS . 27300 1 9 -11 HIS . 27300 1 10 -10 HIS . 27300 1 11 -9 SER . 27300 1 12 -8 SER . 27300 1 13 -7 GLY . 27300 1 14 -6 LEU . 27300 1 15 -5 VAL . 27300 1 16 -4 PRO . 27300 1 17 -3 ARG . 27300 1 18 -2 GLY . 27300 1 19 -1 SER . 27300 1 20 0 HIS . 27300 1 21 1 MET . 27300 1 22 2 SER . 27300 1 23 3 GLY . 27300 1 24 4 ILE . 27300 1 25 5 ALA . 27300 1 26 6 LEU . 27300 1 27 7 SER . 27300 1 28 8 ARG . 27300 1 29 9 LEU . 27300 1 30 10 ALA . 27300 1 31 11 GLN . 27300 1 32 12 GLU . 27300 1 33 13 ARG . 27300 1 34 14 LYS . 27300 1 35 15 ALA . 27300 1 36 16 TRP . 27300 1 37 17 ARG . 27300 1 38 18 LYS . 27300 1 39 19 ASP . 27300 1 40 20 HIS . 27300 1 41 21 PRO . 27300 1 42 22 PHE . 27300 1 43 23 GLY . 27300 1 44 24 PHE . 27300 1 45 25 VAL . 27300 1 46 26 ALA . 27300 1 47 27 VAL . 27300 1 48 28 PRO . 27300 1 49 29 THR . 27300 1 50 30 LYS . 27300 1 51 31 ASN . 27300 1 52 32 PRO . 27300 1 53 33 ASP . 27300 1 54 34 GLY . 27300 1 55 35 THR . 27300 1 56 36 MET . 27300 1 57 37 ASN . 27300 1 58 38 LEU . 27300 1 59 39 MET . 27300 1 60 40 ASN . 27300 1 61 41 TRP . 27300 1 62 42 GLU . 27300 1 63 43 CYS . 27300 1 64 44 ALA . 27300 1 65 45 ILE . 27300 1 66 46 PRO . 27300 1 67 47 GLY . 27300 1 68 48 LYS . 27300 1 69 49 LYS . 27300 1 70 50 GLY . 27300 1 71 51 THR . 27300 1 72 52 PRO . 27300 1 73 53 TRP . 27300 1 74 54 GLU . 27300 1 75 55 GLY . 27300 1 76 56 GLY . 27300 1 77 57 LEU . 27300 1 78 58 PHE . 27300 1 79 59 LYS . 27300 1 80 60 LEU . 27300 1 81 61 ARG . 27300 1 82 62 MET . 27300 1 83 63 LEU . 27300 1 84 64 PHE . 27300 1 85 65 LYS . 27300 1 86 66 ASP . 27300 1 87 67 ASP . 27300 1 88 68 TYR . 27300 1 89 69 PRO . 27300 1 90 70 SER . 27300 1 91 71 SER . 27300 1 92 72 PRO . 27300 1 93 73 PRO . 27300 1 94 74 LYS . 27300 1 95 75 CYS . 27300 1 96 76 LYS . 27300 1 97 77 PHE . 27300 1 98 78 GLU . 27300 1 99 79 PRO . 27300 1 100 80 PRO . 27300 1 101 81 LEU . 27300 1 102 82 PHE . 27300 1 103 83 HIS . 27300 1 104 84 PRO . 27300 1 105 85 ASN . 27300 1 106 86 VAL . 27300 1 107 87 TYR . 27300 1 108 88 PRO . 27300 1 109 89 SER . 27300 1 110 90 GLY . 27300 1 111 91 THR . 27300 1 112 92 VAL . 27300 1 113 93 CYS . 27300 1 114 94 LEU . 27300 1 115 95 SER . 27300 1 116 96 ILE . 27300 1 117 97 LEU . 27300 1 118 98 GLU . 27300 1 119 99 GLU . 27300 1 120 100 ASP . 27300 1 121 101 LYS . 27300 1 122 102 ASP . 27300 1 123 103 TRP . 27300 1 124 104 ARG . 27300 1 125 105 PRO . 27300 1 126 106 ALA . 27300 1 127 107 ILE . 27300 1 128 108 THR . 27300 1 129 109 ILE . 27300 1 130 110 LYS . 27300 1 131 111 GLN . 27300 1 132 112 ILE . 27300 1 133 113 LEU . 27300 1 134 114 LEU . 27300 1 135 115 GLY . 27300 1 136 116 ILE . 27300 1 137 117 GLN . 27300 1 138 118 GLU . 27300 1 139 119 LEU . 27300 1 140 120 LEU . 27300 1 141 121 ASN . 27300 1 142 122 GLU . 27300 1 143 123 LEU . 27300 1 144 124 ASN . 27300 1 145 125 ILE . 27300 1 146 126 GLN . 27300 1 147 127 ASP . 27300 1 148 128 PRO . 27300 1 149 129 ALA . 27300 1 150 130 GLN . 27300 1 151 131 ALA . 27300 1 152 132 GLU . 27300 1 153 133 ALA . 27300 1 154 134 TYR . 27300 1 155 135 THR . 27300 1 156 136 ILE . 27300 1 157 137 TYR . 27300 1 158 138 CYS . 27300 1 159 139 GLN . 27300 1 160 140 ASN . 27300 1 161 141 ARG . 27300 1 162 142 VAL . 27300 1 163 143 GLU . 27300 1 164 144 TYR . 27300 1 165 145 GLU . 27300 1 166 146 LYS . 27300 1 167 147 ARG . 27300 1 168 148 VAL . 27300 1 169 149 ARG . 27300 1 170 150 ALA . 27300 1 171 151 GLN . 27300 1 172 152 ALA . 27300 1 173 153 LYS . 27300 1 174 154 LYS . 27300 1 175 155 PHE . 27300 1 176 156 ALA . 27300 1 177 157 PRO . 27300 1 178 158 SER . 27300 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27300 1 . GLY 2 2 27300 1 . SER 3 3 27300 1 . SER 4 4 27300 1 . HIS 5 5 27300 1 . HIS 6 6 27300 1 . HIS 7 7 27300 1 . HIS 8 8 27300 1 . HIS 9 9 27300 1 . HIS 10 10 27300 1 . SER 11 11 27300 1 . SER 12 12 27300 1 . GLY 13 13 27300 1 . LEU 14 14 27300 1 . VAL 15 15 27300 1 . PRO 16 16 27300 1 . ARG 17 17 27300 1 . GLY 18 18 27300 1 . SER 19 19 27300 1 . HIS 20 20 27300 1 . MET 21 21 27300 1 . SER 22 22 27300 1 . GLY 23 23 27300 1 . ILE 24 24 27300 1 . ALA 25 25 27300 1 . LEU 26 26 27300 1 . SER 27 27 27300 1 . ARG 28 28 27300 1 . LEU 29 29 27300 1 . ALA 30 30 27300 1 . GLN 31 31 27300 1 . GLU 32 32 27300 1 . ARG 33 33 27300 1 . LYS 34 34 27300 1 . ALA 35 35 27300 1 . TRP 36 36 27300 1 . ARG 37 37 27300 1 . LYS 38 38 27300 1 . ASP 39 39 27300 1 . HIS 40 40 27300 1 . PRO 41 41 27300 1 . PHE 42 42 27300 1 . GLY 43 43 27300 1 . PHE 44 44 27300 1 . VAL 45 45 27300 1 . ALA 46 46 27300 1 . VAL 47 47 27300 1 . PRO 48 48 27300 1 . THR 49 49 27300 1 . LYS 50 50 27300 1 . ASN 51 51 27300 1 . PRO 52 52 27300 1 . ASP 53 53 27300 1 . GLY 54 54 27300 1 . THR 55 55 27300 1 . MET 56 56 27300 1 . ASN 57 57 27300 1 . LEU 58 58 27300 1 . MET 59 59 27300 1 . ASN 60 60 27300 1 . TRP 61 61 27300 1 . GLU 62 62 27300 1 . CYS 63 63 27300 1 . ALA 64 64 27300 1 . ILE 65 65 27300 1 . PRO 66 66 27300 1 . GLY 67 67 27300 1 . LYS 68 68 27300 1 . LYS 69 69 27300 1 . GLY 70 70 27300 1 . THR 71 71 27300 1 . PRO 72 72 27300 1 . TRP 73 73 27300 1 . GLU 74 74 27300 1 . GLY 75 75 27300 1 . GLY 76 76 27300 1 . LEU 77 77 27300 1 . PHE 78 78 27300 1 . LYS 79 79 27300 1 . LEU 80 80 27300 1 . ARG 81 81 27300 1 . MET 82 82 27300 1 . LEU 83 83 27300 1 . PHE 84 84 27300 1 . LYS 85 85 27300 1 . ASP 86 86 27300 1 . ASP 87 87 27300 1 . TYR 88 88 27300 1 . PRO 89 89 27300 1 . SER 90 90 27300 1 . SER 91 91 27300 1 . PRO 92 92 27300 1 . PRO 93 93 27300 1 . LYS 94 94 27300 1 . CYS 95 95 27300 1 . LYS 96 96 27300 1 . PHE 97 97 27300 1 . GLU 98 98 27300 1 . PRO 99 99 27300 1 . PRO 100 100 27300 1 . LEU 101 101 27300 1 . PHE 102 102 27300 1 . HIS 103 103 27300 1 . PRO 104 104 27300 1 . ASN 105 105 27300 1 . VAL 106 106 27300 1 . TYR 107 107 27300 1 . PRO 108 108 27300 1 . SER 109 109 27300 1 . GLY 110 110 27300 1 . THR 111 111 27300 1 . VAL 112 112 27300 1 . CYS 113 113 27300 1 . LEU 114 114 27300 1 . SER 115 115 27300 1 . ILE 116 116 27300 1 . LEU 117 117 27300 1 . GLU 118 118 27300 1 . GLU 119 119 27300 1 . ASP 120 120 27300 1 . LYS 121 121 27300 1 . ASP 122 122 27300 1 . TRP 123 123 27300 1 . ARG 124 124 27300 1 . PRO 125 125 27300 1 . ALA 126 126 27300 1 . ILE 127 127 27300 1 . THR 128 128 27300 1 . ILE 129 129 27300 1 . LYS 130 130 27300 1 . GLN 131 131 27300 1 . ILE 132 132 27300 1 . LEU 133 133 27300 1 . LEU 134 134 27300 1 . GLY 135 135 27300 1 . ILE 136 136 27300 1 . GLN 137 137 27300 1 . GLU 138 138 27300 1 . LEU 139 139 27300 1 . LEU 140 140 27300 1 . ASN 141 141 27300 1 . GLU 142 142 27300 1 . LEU 143 143 27300 1 . ASN 144 144 27300 1 . ILE 145 145 27300 1 . GLN 146 146 27300 1 . ASP 147 147 27300 1 . PRO 148 148 27300 1 . ALA 149 149 27300 1 . GLN 150 150 27300 1 . ALA 151 151 27300 1 . GLU 152 152 27300 1 . ALA 153 153 27300 1 . TYR 154 154 27300 1 . THR 155 155 27300 1 . ILE 156 156 27300 1 . TYR 157 157 27300 1 . CYS 158 158 27300 1 . GLN 159 159 27300 1 . ASN 160 160 27300 1 . ARG 161 161 27300 1 . VAL 162 162 27300 1 . GLU 163 163 27300 1 . TYR 164 164 27300 1 . GLU 165 165 27300 1 . LYS 166 166 27300 1 . ARG 167 167 27300 1 . VAL 168 168 27300 1 . ARG 169 169 27300 1 . ALA 170 170 27300 1 . GLN 171 171 27300 1 . ALA 172 172 27300 1 . LYS 173 173 27300 1 . LYS 174 174 27300 1 . PHE 175 175 27300 1 . ALA 176 176 27300 1 . PRO 177 177 27300 1 . SER 178 178 27300 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27300 _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 $UBC9(P123L) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27300 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 27300 _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 $UBC9(P123L) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b . . . 27300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27300 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UBC9(P123L) '[U-99% 13C; U-99% 15N]' . . 1 $UBC9(P123L) . . 500 . . uM . . . . 27300 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27300 1 3 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 27300 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 27300 1 5 'Glutamic acid' 'natural abundance' . . . . . . 10 . . mM . . . . 27300 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 27300 _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' 0.14 . M 27300 1 pH 6.8 . pH 27300 1 pressure 1 . atm 27300 1 temperature 298 . K 27300 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27300 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27300 1 processing 27300 1 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 27300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27300 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27300 _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 Bruker Avance . 600 . . . 27300 1 2 spectrometer_2 Bruker Avance . 850 . . . 27300 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 27300 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27300 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27300 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Standard _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Standard _Chem_shift_reference.Entry_ID 27300 _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 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25145 . . . . . 27300 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27300 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.11329 . . . . . 27300 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27300 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Standard _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 2 '3D HNCA' . . . 27300 1 3 '3D CBCA(CO)NH' . . . 27300 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 21 21 MET H H 1 8.357 . . . . . . . . 1 MET HN . 27300 1 2 . 1 1 21 21 MET CA C 13 56.431 . . . . . . . . 1 MET CA . 27300 1 3 . 1 1 21 21 MET CB C 13 32.623 . . . . . . . . 1 MET CB . 27300 1 4 . 1 1 21 21 MET N N 15 120.986 . . . . . . . . 1 MET N . 27300 1 5 . 1 1 22 22 SER H H 1 8.47 . . . . . . . . 2 SER HN . 27300 1 6 . 1 1 22 22 SER CA C 13 59.568 . . . . . . . . 2 SER CA . 27300 1 7 . 1 1 22 22 SER CB C 13 64 . . . . . . . . 2 SER CB . 27300 1 8 . 1 1 22 22 SER N N 15 116.321 . . . . . . . . 2 SER N . 27300 1 9 . 1 1 23 23 GLY H H 1 8.506 . . . . . . . . 3 GLY HN . 27300 1 10 . 1 1 23 23 GLY CA C 13 46.823 . . . . . . . . 3 GLY CA . 27300 1 11 . 1 1 23 23 GLY N N 15 110.218 . . . . . . . . 3 GLY N . 27300 1 12 . 1 1 24 24 ILE H H 1 8.025 . . . . . . . . 4 ILE HN . 27300 1 13 . 1 1 24 24 ILE CA C 13 63.968 . . . . . . . . 4 ILE CA . 27300 1 14 . 1 1 24 24 ILE CB C 13 37.766 . . . . . . . . 4 ILE CB . 27300 1 15 . 1 1 24 24 ILE N N 15 121.42 . . . . . . . . 4 ILE N . 27300 1 16 . 1 1 25 25 ALA H H 1 8.204 . . . . . . . . 5 ALA HN . 27300 1 17 . 1 1 25 25 ALA CA C 13 56.75 . . . . . . . . 5 ALA CA . 27300 1 18 . 1 1 25 25 ALA CB C 13 19.006 . . . . . . . . 5 ALA CB . 27300 1 19 . 1 1 25 25 ALA N N 15 124.688 . . . . . . . . 5 ALA N . 27300 1 20 . 1 1 26 26 LEU H H 1 8.427 . . . . . . . . 6 LEU HN . 27300 1 21 . 1 1 26 26 LEU CA C 13 58.394 . . . . . . . . 6 LEU CA . 27300 1 22 . 1 1 26 26 LEU CB C 13 41.649 . . . . . . . . 6 LEU CB . 27300 1 23 . 1 1 26 26 LEU N N 15 115.122 . . . . . . . . 6 LEU N . 27300 1 24 . 1 1 27 27 SER H H 1 8.148 . . . . . . . . 7 SER HN . 27300 1 25 . 1 1 27 27 SER CA C 13 61.968 . . . . . . . . 7 SER CA . 27300 1 26 . 1 1 27 27 SER CB C 13 62.92 . . . . . . . . 7 SER CB . 27300 1 27 . 1 1 27 27 SER N N 15 115.578 . . . . . . . . 7 SER N . 27300 1 28 . 1 1 28 28 ARG H H 1 8.175 . . . . . . . . 8 ARG HN . 27300 1 29 . 1 1 28 28 ARG CA C 13 57.979 . . . . . . . . 8 ARG CA . 27300 1 30 . 1 1 28 28 ARG CB C 13 28.077 . . . . . . . . 8 ARG CB . 27300 1 31 . 1 1 28 28 ARG N N 15 123.441 . . . . . . . . 8 ARG N . 27300 1 32 . 1 1 29 29 LEU H H 1 9.158 . . . . . . . . 9 LEU HN . 27300 1 33 . 1 1 29 29 LEU CA C 13 58.966 . . . . . . . . 9 LEU CA . 27300 1 34 . 1 1 29 29 LEU CB C 13 42.629 . . . . . . . . 9 LEU CB . 27300 1 35 . 1 1 29 29 LEU N N 15 121.816 . . . . . . . . 9 LEU N . 27300 1 36 . 1 1 30 30 ALA H H 1 8.355 . . . . . . . . 10 ALA HN . 27300 1 37 . 1 1 30 30 ALA CA C 13 55.626 . . . . . . . . 10 ALA CA . 27300 1 38 . 1 1 30 30 ALA CB C 13 18.04 . . . . . . . . 10 ALA CB . 27300 1 39 . 1 1 30 30 ALA N N 15 121.976 . . . . . . . . 10 ALA N . 27300 1 40 . 1 1 31 31 GLN H H 1 7.84 . . . . . . . . 11 GLN HN . 27300 1 41 . 1 1 31 31 GLN CA C 13 59.437 . . . . . . . . 11 GLN CA . 27300 1 42 . 1 1 31 31 GLN CB C 13 28.14 . . . . . . . . 11 GLN CB . 27300 1 43 . 1 1 31 31 GLN N N 15 120.192 . . . . . . . . 11 GLN N . 27300 1 44 . 1 1 32 32 GLU H H 1 9.158 . . . . . . . . 12 GLU HN . 27300 1 45 . 1 1 32 32 GLU CA C 13 60.111 . . . . . . . . 12 GLU CA . 27300 1 46 . 1 1 32 32 GLU CB C 13 29.705 . . . . . . . . 12 GLU CB . 27300 1 47 . 1 1 32 32 GLU N N 15 121.7 . . . . . . . . 12 GLU N . 27300 1 48 . 1 1 33 33 ARG H H 1 8.788 . . . . . . . . 13 ARG HN . 27300 1 49 . 1 1 33 33 ARG CA C 13 60.713 . . . . . . . . 13 ARG CA . 27300 1 50 . 1 1 33 33 ARG CB C 13 29.069 . . . . . . . . 13 ARG CB . 27300 1 51 . 1 1 33 33 ARG N N 15 120.314 . . . . . . . . 13 ARG N . 27300 1 52 . 1 1 34 34 LYS H H 1 7.952 . . . . . . . . 14 LYS HN . 27300 1 53 . 1 1 34 34 LYS CA C 13 60.398 . . . . . . . . 14 LYS CA . 27300 1 54 . 1 1 34 34 LYS CB C 13 32.762 . . . . . . . . 14 LYS CB . 27300 1 55 . 1 1 34 34 LYS N N 15 119.807 . . . . . . . . 14 LYS N . 27300 1 56 . 1 1 35 35 ALA H H 1 8.521 . . . . . . . . 15 ALA HN . 27300 1 57 . 1 1 35 35 ALA CA C 13 55.489 . . . . . . . . 15 ALA CA . 27300 1 58 . 1 1 35 35 ALA CB C 13 18.528 . . . . . . . . 15 ALA CB . 27300 1 59 . 1 1 35 35 ALA N N 15 121.837 . . . . . . . . 15 ALA N . 27300 1 60 . 1 1 36 36 TRP H H 1 8.833 . . . . . . . . 16 TRP HN . 27300 1 61 . 1 1 36 36 TRP CA C 13 60.608 . . . . . . . . 16 TRP CA . 27300 1 62 . 1 1 36 36 TRP CB C 13 29.082 . . . . . . . . 16 TRP CB . 27300 1 63 . 1 1 36 36 TRP N N 15 119.85 . . . . . . . . 16 TRP N . 27300 1 64 . 1 1 37 37 ARG H H 1 8.342 . . . . . . . . 17 ARG HN . 27300 1 65 . 1 1 37 37 ARG CA C 13 59.607 . . . . . . . . 17 ARG CA . 27300 1 66 . 1 1 37 37 ARG CB C 13 30.501 . . . . . . . . 17 ARG CB . 27300 1 67 . 1 1 37 37 ARG N N 15 116.581 . . . . . . . . 17 ARG N . 27300 1 68 . 1 1 38 38 LYS H H 1 7.497 . . . . . . . . 18 LYS HN . 27300 1 69 . 1 1 38 38 LYS CA C 13 58.497 . . . . . . . . 18 LYS CA . 27300 1 70 . 1 1 38 38 LYS CB C 13 33.22 . . . . . . . . 18 LYS CB . 27300 1 71 . 1 1 38 38 LYS N N 15 117.489 . . . . . . . . 18 LYS N . 27300 1 72 . 1 1 39 39 ASP H H 1 7.803 . . . . . . . . 19 ASP HN . 27300 1 73 . 1 1 39 39 ASP CA C 13 54.51 . . . . . . . . 19 ASP CA . 27300 1 74 . 1 1 39 39 ASP CB C 13 42.81 . . . . . . . . 19 ASP CB . 27300 1 75 . 1 1 39 39 ASP N N 15 117.737 . . . . . . . . 19 ASP N . 27300 1 76 . 1 1 40 40 HIS H H 1 7.706 . . . . . . . . 20 HIS HN . 27300 1 77 . 1 1 40 40 HIS CA C 13 53.152 . . . . . . . . 20 HIS CA . 27300 1 78 . 1 1 40 40 HIS CB C 13 26.3 . . . . . . . . 20 HIS CB . 27300 1 79 . 1 1 40 40 HIS N N 15 117.349 . . . . . . . . 20 HIS N . 27300 1 80 . 1 1 41 41 PRO CA C 13 62.297 . . . . . . . . 21 PRO CA . 27300 1 81 . 1 1 41 41 PRO CB C 13 31.5 . . . . . . . . 21 PRO CB . 27300 1 82 . 1 1 42 42 PHE H H 1 8.823 . . . . . . . . 22 PHE HN . 27300 1 83 . 1 1 42 42 PHE CA C 13 60.739 . . . . . . . . 22 PHE CA . 27300 1 84 . 1 1 42 42 PHE CB C 13 39.403 . . . . . . . . 22 PHE CB . 27300 1 85 . 1 1 42 42 PHE N N 15 124.375 . . . . . . . . 22 PHE N . 27300 1 86 . 1 1 43 43 GLY H H 1 8.657 . . . . . . . . 23 GLY HN . 27300 1 87 . 1 1 43 43 GLY CA C 13 45.223 . . . . . . . . 23 GLY CA . 27300 1 88 . 1 1 43 43 GLY N N 15 115.622 . . . . . . . . 23 GLY N . 27300 1 89 . 1 1 44 44 PHE H H 1 7.833 . . . . . . . . 24 PHE HN . 27300 1 90 . 1 1 44 44 PHE CA C 13 57.708 . . . . . . . . 24 PHE CA . 27300 1 91 . 1 1 44 44 PHE CB C 13 42.337 . . . . . . . . 24 PHE CB . 27300 1 92 . 1 1 44 44 PHE N N 15 117.544 . . . . . . . . 24 PHE N . 27300 1 93 . 1 1 45 45 VAL H H 1 8.718 . . . . . . . . 25 VAL HN . 27300 1 94 . 1 1 45 45 VAL CA C 13 61.523 . . . . . . . . 25 VAL CA . 27300 1 95 . 1 1 45 45 VAL CB C 13 35.593 . . . . . . . . 25 VAL CB . 27300 1 96 . 1 1 45 45 VAL N N 15 120.555 . . . . . . . . 25 VAL N . 27300 1 97 . 1 1 46 46 ALA H H 1 8.36 . . . . . . . . 26 ALA HN . 27300 1 98 . 1 1 46 46 ALA CA C 13 53.955 . . . . . . . . 26 ALA CA . 27300 1 99 . 1 1 46 46 ALA CB C 13 17.806 . . . . . . . . 26 ALA CB . 27300 1 100 . 1 1 46 46 ALA N N 15 127.711 . . . . . . . . 26 ALA N . 27300 1 101 . 1 1 47 47 VAL H H 1 8.499 . . . . . . . . 27 VAL HN . 27300 1 102 . 1 1 47 47 VAL CA C 13 57.997 . . . . . . . . 27 VAL CA . 27300 1 103 . 1 1 47 47 VAL CB C 13 35.9 . . . . . . . . 27 VAL CB . 27300 1 104 . 1 1 47 47 VAL N N 15 120.46 . . . . . . . . 27 VAL N . 27300 1 105 . 1 1 48 48 PRO CA C 13 62.563 . . . . . . . . 28 PRO CA . 27300 1 106 . 1 1 48 48 PRO CB C 13 32.102 . . . . . . . . 28 PRO CB . 27300 1 107 . 1 1 49 49 THR H H 1 8.272 . . . . . . . . 29 THR HN . 27300 1 108 . 1 1 49 49 THR CA C 13 62.234 . . . . . . . . 29 THR CA . 27300 1 109 . 1 1 49 49 THR CB C 13 71.184 . . . . . . . . 29 THR CB . 27300 1 110 . 1 1 49 49 THR N N 15 114.046 . . . . . . . . 29 THR N . 27300 1 111 . 1 1 50 50 LYS H H 1 8.372 . . . . . . . . 30 LYS HN . 27300 1 112 . 1 1 50 50 LYS CA C 13 55.376 . . . . . . . . 30 LYS CA . 27300 1 113 . 1 1 50 50 LYS CB C 13 34.756 . . . . . . . . 30 LYS CB . 27300 1 114 . 1 1 50 50 LYS N N 15 118.951 . . . . . . . . 30 LYS N . 27300 1 115 . 1 1 51 51 ASN H H 1 9.212 . . . . . . . . 31 ASN HN . 27300 1 116 . 1 1 51 51 ASN CA C 13 52.466 . . . . . . . . 31 ASN CA . 27300 1 117 . 1 1 51 51 ASN CB C 13 38.6 . . . . . . . . 31 ASN CB . 27300 1 118 . 1 1 51 51 ASN N N 15 121.85 . . . . . . . . 31 ASN N . 27300 1 119 . 1 1 52 52 PRO CA C 13 65.907 . . . . . . . . 32 PRO CA . 27300 1 120 . 1 1 52 52 PRO CB C 13 31.707 . . . . . . . . 32 PRO CB . 27300 1 121 . 1 1 53 53 ASP H H 1 7.55 . . . . . . . . 33 ASP HN . 27300 1 122 . 1 1 53 53 ASP CA C 13 53.455 . . . . . . . . 33 ASP CA . 27300 1 123 . 1 1 53 53 ASP CB C 13 39.983 . . . . . . . . 33 ASP CB . 27300 1 124 . 1 1 53 53 ASP N N 15 113.082 . . . . . . . . 33 ASP N . 27300 1 125 . 1 1 54 54 GLY H H 1 8.409 . . . . . . . . 34 GLY HN . 27300 1 126 . 1 1 54 54 GLY CA C 13 45.537 . . . . . . . . 34 GLY CA . 27300 1 127 . 1 1 54 54 GLY N N 15 108.289 . . . . . . . . 34 GLY N . 27300 1 128 . 1 1 55 55 THR H H 1 8.082 . . . . . . . . 35 THR HN . 27300 1 129 . 1 1 55 55 THR CA C 13 61.968 . . . . . . . . 35 THR CA . 27300 1 130 . 1 1 55 55 THR CB C 13 71.76 . . . . . . . . 35 THR CB . 27300 1 131 . 1 1 55 55 THR N N 15 112.075 . . . . . . . . 35 THR N . 27300 1 132 . 1 1 56 56 MET H H 1 8.682 . . . . . . . . 36 MET HN . 27300 1 133 . 1 1 56 56 MET CA C 13 56.223 . . . . . . . . 36 MET CA . 27300 1 134 . 1 1 56 56 MET CB C 13 33.806 . . . . . . . . 36 MET CB . 27300 1 135 . 1 1 56 56 MET N N 15 118.73 . . . . . . . . 36 MET N . 27300 1 136 . 1 1 57 57 ASN H H 1 9.169 . . . . . . . . 37 ASN HN . 27300 1 137 . 1 1 57 57 ASN CA C 13 51.152 . . . . . . . . 37 ASN CA . 27300 1 138 . 1 1 57 57 ASN CB C 13 37.23 . . . . . . . . 37 ASN CB . 27300 1 139 . 1 1 57 57 ASN N N 15 122.733 . . . . . . . . 37 ASN N . 27300 1 140 . 1 1 58 58 LEU H H 1 8.542 . . . . . . . . 38 LEU HN . 27300 1 141 . 1 1 58 58 LEU CA C 13 56.221 . . . . . . . . 38 LEU CA . 27300 1 142 . 1 1 58 58 LEU CB C 13 42.037 . . . . . . . . 38 LEU CB . 27300 1 143 . 1 1 58 58 LEU N N 15 120.194 . . . . . . . . 38 LEU N . 27300 1 144 . 1 1 59 59 MET H H 1 7.823 . . . . . . . . 39 MET HN . 27300 1 145 . 1 1 59 59 MET CA C 13 55.308 . . . . . . . . 39 MET CA . 27300 1 146 . 1 1 59 59 MET CB C 13 30.822 . . . . . . . . 39 MET CB . 27300 1 147 . 1 1 59 59 MET N N 15 110.213 . . . . . . . . 39 MET N . 27300 1 148 . 1 1 60 60 ASN H H 1 7.292 . . . . . . . . 40 ASN HN . 27300 1 149 . 1 1 60 60 ASN CA C 13 52.837 . . . . . . . . 40 ASN CA . 27300 1 150 . 1 1 60 60 ASN CB C 13 40.621 . . . . . . . . 40 ASN CB . 27300 1 151 . 1 1 60 60 ASN N N 15 119.591 . . . . . . . . 40 ASN N . 27300 1 152 . 1 1 61 61 TRP H H 1 9.861 . . . . . . . . 41 TRP HN . 27300 1 153 . 1 1 61 61 TRP CA C 13 56.668 . . . . . . . . 41 TRP CA . 27300 1 154 . 1 1 61 61 TRP CB C 13 31.1 . . . . . . . . 41 TRP CB . 27300 1 155 . 1 1 61 61 TRP N N 15 126.031 . . . . . . . . 41 TRP N . 27300 1 156 . 1 1 62 62 GLU H H 1 9.083 . . . . . . . . 42 GLU HN . 27300 1 157 . 1 1 62 62 GLU CA C 13 56.528 . . . . . . . . 42 GLU CA . 27300 1 158 . 1 1 62 62 GLU CB C 13 31.087 . . . . . . . . 42 GLU CB . 27300 1 159 . 1 1 62 62 GLU N N 15 121.846 . . . . . . . . 42 GLU N . 27300 1 160 . 1 1 63 63 CYS H H 1 9.125 . . . . . . . . 43 CYS HN . 27300 1 161 . 1 1 63 63 CYS CA C 13 55.319 . . . . . . . . 43 CYS CA . 27300 1 162 . 1 1 63 63 CYS CB C 13 31.978 . . . . . . . . 43 CYS CB . 27300 1 163 . 1 1 63 63 CYS N N 15 121.836 . . . . . . . . 43 CYS N . 27300 1 164 . 1 1 64 64 ALA H H 1 9.434 . . . . . . . . 44 ALA HN . 27300 1 165 . 1 1 64 64 ALA CA C 13 52.523 . . . . . . . . 44 ALA CA . 27300 1 166 . 1 1 64 64 ALA CB C 13 21.655 . . . . . . . . 44 ALA CB . 27300 1 167 . 1 1 64 64 ALA N N 15 124.756 . . . . . . . . 44 ALA N . 27300 1 168 . 1 1 65 65 ILE H H 1 8.738 . . . . . . . . 45 ILE HN . 27300 1 169 . 1 1 65 65 ILE CA C 13 56.679 . . . . . . . . 45 ILE CA . 27300 1 170 . 1 1 65 65 ILE N N 15 119.533 . . . . . . . . 45 ILE N . 27300 1 171 . 1 1 66 66 PRO CA C 13 61.481 . . . . . . . . 46 PRO CA . 27300 1 172 . 1 1 66 66 PRO CB C 13 31.969 . . . . . . . . 46 PRO CB . 27300 1 173 . 1 1 67 67 GLY H H 1 8.484 . . . . . . . . 47 GLY HN . 27300 1 174 . 1 1 67 67 GLY CA C 13 45.55 . . . . . . . . 47 GLY CA . 27300 1 175 . 1 1 67 67 GLY N N 15 105.898 . . . . . . . . 47 GLY N . 27300 1 176 . 1 1 68 68 LYS H H 1 9.138 . . . . . . . . 48 LYS HN . 27300 1 177 . 1 1 68 68 LYS CA C 13 57.866 . . . . . . . . 48 LYS CA . 27300 1 178 . 1 1 68 68 LYS CB C 13 33.439 . . . . . . . . 48 LYS CB . 27300 1 179 . 1 1 68 68 LYS N N 15 124.919 . . . . . . . . 48 LYS N . 27300 1 180 . 1 1 69 69 LYS H H 1 8.977 . . . . . . . . 49 LYS HN . 27300 1 181 . 1 1 69 69 LYS CA C 13 58.335 . . . . . . . . 49 LYS CA . 27300 1 182 . 1 1 69 69 LYS CB C 13 32.559 . . . . . . . . 49 LYS CB . 27300 1 183 . 1 1 69 69 LYS N N 15 127.867 . . . . . . . . 49 LYS N . 27300 1 184 . 1 1 70 70 GLY H H 1 9.557 . . . . . . . . 50 GLY HN . 27300 1 185 . 1 1 70 70 GLY CA C 13 45.819 . . . . . . . . 50 GLY CA . 27300 1 186 . 1 1 70 70 GLY N N 15 112.58 . . . . . . . . 50 GLY N . 27300 1 187 . 1 1 71 71 THR H H 1 7.736 . . . . . . . . 51 THR HN . 27300 1 188 . 1 1 71 71 THR CA C 13 59.721 . . . . . . . . 51 THR CA . 27300 1 189 . 1 1 71 71 THR CB C 13 71.4 . . . . . . . . 51 THR CB . 27300 1 190 . 1 1 71 71 THR N N 15 108.787 . . . . . . . . 51 THR N . 27300 1 191 . 1 1 72 72 PRO CA C 13 64.83 . . . . . . . . 52 PRO CA . 27300 1 192 . 1 1 72 72 PRO CB C 13 31.284 . . . . . . . . 52 PRO CB . 27300 1 193 . 1 1 73 73 TRP H H 1 7.443 . . . . . . . . 53 TRP HN . 27300 1 194 . 1 1 73 73 TRP CA C 13 56.921 . . . . . . . . 53 TRP CA . 27300 1 195 . 1 1 73 73 TRP CB C 13 29.195 . . . . . . . . 53 TRP CB . 27300 1 196 . 1 1 73 73 TRP N N 15 117.629 . . . . . . . . 53 TRP N . 27300 1 197 . 1 1 74 74 GLU H H 1 7.828 . . . . . . . . 54 GLU HN . 27300 1 198 . 1 1 74 74 GLU CA C 13 58.699 . . . . . . . . 54 GLU CA . 27300 1 199 . 1 1 74 74 GLU CB C 13 30.009 . . . . . . . . 54 GLU CB . 27300 1 200 . 1 1 74 74 GLU N N 15 120.523 . . . . . . . . 54 GLU N . 27300 1 201 . 1 1 75 75 GLY H H 1 9.399 . . . . . . . . 55 GLY HN . 27300 1 202 . 1 1 75 75 GLY CA C 13 44.886 . . . . . . . . 55 GLY CA . 27300 1 203 . 1 1 75 75 GLY N N 15 114.844 . . . . . . . . 55 GLY N . 27300 1 204 . 1 1 76 76 GLY H H 1 7.798 . . . . . . . . 56 GLY HN . 27300 1 205 . 1 1 76 76 GLY CA C 13 45.315 . . . . . . . . 56 GLY CA . 27300 1 206 . 1 1 76 76 GLY N N 15 103.975 . . . . . . . . 56 GLY N . 27300 1 207 . 1 1 77 77 LEU H H 1 7.933 . . . . . . . . 57 LEU HN . 27300 1 208 . 1 1 77 77 LEU CA C 13 54.739 . . . . . . . . 57 LEU CA . 27300 1 209 . 1 1 77 77 LEU CB C 13 44.123 . . . . . . . . 57 LEU CB . 27300 1 210 . 1 1 77 77 LEU N N 15 126.454 . . . . . . . . 57 LEU N . 27300 1 211 . 1 1 78 78 PHE H H 1 8.709 . . . . . . . . 58 PHE HN . 27300 1 212 . 1 1 78 78 PHE CA C 13 57.394 . . . . . . . . 58 PHE CA . 27300 1 213 . 1 1 78 78 PHE CB C 13 40.105 . . . . . . . . 58 PHE CB . 27300 1 214 . 1 1 78 78 PHE N N 15 126.294 . . . . . . . . 58 PHE N . 27300 1 215 . 1 1 79 79 LYS H H 1 8.449 . . . . . . . . 59 LYS HN . 27300 1 216 . 1 1 79 79 LYS CA C 13 57.427 . . . . . . . . 59 LYS CA . 27300 1 217 . 1 1 79 79 LYS CB C 13 33.4 . . . . . . . . 59 LYS CB . 27300 1 218 . 1 1 79 79 LYS N N 15 125.06 . . . . . . . . 59 LYS N . 27300 1 219 . 1 1 80 80 LEU H H 1 8.685 . . . . . . . . 60 LEU HN . 27300 1 220 . 1 1 80 80 LEU CA C 13 54 . . . . . . . . 60 LEU CA . 27300 1 221 . 1 1 80 80 LEU CB C 13 46.297 . . . . . . . . 60 LEU CB . 27300 1 222 . 1 1 80 80 LEU N N 15 124.814 . . . . . . . . 60 LEU N . 27300 1 223 . 1 1 81 81 ARG H H 1 9.325 . . . . . . . . 61 ARG HN . 27300 1 224 . 1 1 81 81 ARG CA C 13 54.4 . . . . . . . . 61 ARG CA . 27300 1 225 . 1 1 81 81 ARG CB C 13 33.203 . . . . . . . . 61 ARG CB . 27300 1 226 . 1 1 81 81 ARG N N 15 127.319 . . . . . . . . 61 ARG N . 27300 1 227 . 1 1 82 82 MET H H 1 9.067 . . . . . . . . 62 MET HN . 27300 1 228 . 1 1 82 82 MET CA C 13 54.907 . . . . . . . . 62 MET CA . 27300 1 229 . 1 1 82 82 MET CB C 13 36.758 . . . . . . . . 62 MET CB . 27300 1 230 . 1 1 82 82 MET N N 15 125.974 . . . . . . . . 62 MET N . 27300 1 231 . 1 1 83 83 LEU H H 1 8.664 . . . . . . . . 63 LEU HN . 27300 1 232 . 1 1 83 83 LEU CA C 13 53.594 . . . . . . . . 63 LEU CA . 27300 1 233 . 1 1 83 83 LEU CB C 13 43.997 . . . . . . . . 63 LEU CB . 27300 1 234 . 1 1 83 83 LEU N N 15 124.224 . . . . . . . . 63 LEU N . 27300 1 235 . 1 1 84 84 PHE H H 1 8.635 . . . . . . . . 64 PHE HN . 27300 1 236 . 1 1 84 84 PHE CA C 13 57.8 . . . . . . . . 64 PHE CA . 27300 1 237 . 1 1 84 84 PHE CB C 13 41.952 . . . . . . . . 64 PHE CB . 27300 1 238 . 1 1 84 84 PHE N N 15 123.035 . . . . . . . . 64 PHE N . 27300 1 239 . 1 1 85 85 LYS H H 1 8.69 . . . . . . . . 65 LYS HN . 27300 1 240 . 1 1 85 85 LYS CA C 13 55.294 . . . . . . . . 65 LYS CA . 27300 1 241 . 1 1 85 85 LYS CB C 13 34.406 . . . . . . . . 65 LYS CB . 27300 1 242 . 1 1 85 85 LYS N N 15 120.984 . . . . . . . . 65 LYS N . 27300 1 243 . 1 1 86 86 ASP H H 1 8.441 . . . . . . . . 66 ASP HN . 27300 1 244 . 1 1 86 86 ASP CA C 13 57.068 . . . . . . . . 66 ASP CA . 27300 1 245 . 1 1 86 86 ASP CB C 13 40.839 . . . . . . . . 66 ASP CB . 27300 1 246 . 1 1 86 86 ASP N N 15 117.083 . . . . . . . . 66 ASP N . 27300 1 247 . 1 1 87 87 ASP H H 1 7.893 . . . . . . . . 67 ASP HN . 27300 1 248 . 1 1 87 87 ASP CA C 13 52.779 . . . . . . . . 67 ASP CA . 27300 1 249 . 1 1 87 87 ASP CB C 13 39.675 . . . . . . . . 67 ASP CB . 27300 1 250 . 1 1 87 87 ASP N N 15 112.882 . . . . . . . . 67 ASP N . 27300 1 251 . 1 1 88 88 TYR H H 1 8.037 . . . . . . . . 68 TYR HN . 27300 1 252 . 1 1 88 88 TYR CA C 13 57.623 . . . . . . . . 68 TYR CA . 27300 1 253 . 1 1 88 88 TYR CB C 13 39 . . . . . . . . 68 TYR CB . 27300 1 254 . 1 1 88 88 TYR N N 15 126.303 . . . . . . . . 68 TYR N . 27300 1 255 . 1 1 89 89 PRO CA C 13 64.25 . . . . . . . . 69 PRO CA . 27300 1 256 . 1 1 89 89 PRO CB C 13 32.469 . . . . . . . . 69 PRO CB . 27300 1 257 . 1 1 90 90 SER H H 1 9.191 . . . . . . . . 70 SER HN . 27300 1 258 . 1 1 90 90 SER CA C 13 62.868 . . . . . . . . 70 SER CA . 27300 1 259 . 1 1 90 90 SER CB C 13 62.868 . . . . . . . . 70 SER CB . 27300 1 260 . 1 1 90 90 SER N N 15 121.892 . . . . . . . . 70 SER N . 27300 1 261 . 1 1 91 91 SER H H 1 7.284 . . . . . . . . 71 SER HN . 27300 1 262 . 1 1 91 91 SER CA C 13 53.492 . . . . . . . . 71 SER CA . 27300 1 263 . 1 1 91 91 SER N N 15 112.798 . . . . . . . . 71 SER N . 27300 1 264 . 1 1 93 93 PRO CA C 13 61.681 . . . . . . . . 73 PRO CA . 27300 1 265 . 1 1 93 93 PRO CB C 13 30.596 . . . . . . . . 73 PRO CB . 27300 1 266 . 1 1 94 94 LYS H H 1 8.325 . . . . . . . . 74 LYS HN . 27300 1 267 . 1 1 94 94 LYS CA C 13 55.237 . . . . . . . . 74 LYS CA . 27300 1 268 . 1 1 94 94 LYS CB C 13 33.563 . . . . . . . . 74 LYS CB . 27300 1 269 . 1 1 94 94 LYS N N 15 119.572 . . . . . . . . 74 LYS N . 27300 1 270 . 1 1 95 95 CYS H H 1 8.929 . . . . . . . . 75 CYS HN . 27300 1 271 . 1 1 95 95 CYS CA C 13 57.65 . . . . . . . . 75 CYS CA . 27300 1 272 . 1 1 95 95 CYS CB C 13 29.916 . . . . . . . . 75 CYS CB . 27300 1 273 . 1 1 95 95 CYS N N 15 123.033 . . . . . . . . 75 CYS N . 27300 1 274 . 1 1 96 96 LYS H H 1 8.867 . . . . . . . . 76 LYS HN . 27300 1 275 . 1 1 96 96 LYS CA C 13 54.094 . . . . . . . . 76 LYS CA . 27300 1 276 . 1 1 96 96 LYS CB C 13 36.174 . . . . . . . . 76 LYS CB . 27300 1 277 . 1 1 96 96 LYS N N 15 122.567 . . . . . . . . 76 LYS N . 27300 1 278 . 1 1 97 97 PHE H H 1 9.005 . . . . . . . . 77 PHE HN . 27300 1 279 . 1 1 97 97 PHE CA C 13 61.023 . . . . . . . . 77 PHE CA . 27300 1 280 . 1 1 97 97 PHE CB C 13 40.337 . . . . . . . . 77 PHE CB . 27300 1 281 . 1 1 97 97 PHE N N 15 126.424 . . . . . . . . 77 PHE N . 27300 1 282 . 1 1 98 98 GLU H H 1 7.983 . . . . . . . . 78 GLU HN . 27300 1 283 . 1 1 98 98 GLU CA C 13 52.879 . . . . . . . . 78 GLU CA . 27300 1 284 . 1 1 98 98 GLU CB C 13 33.1 . . . . . . . . 78 GLU CB . 27300 1 285 . 1 1 98 98 GLU N N 15 123.872 . . . . . . . . 78 GLU N . 27300 1 286 . 1 1 100 100 PRO CA C 13 64.566 . . . . . . . . 80 PRO CA . 27300 1 287 . 1 1 100 100 PRO CB C 13 33 . . . . . . . . 80 PRO CB . 27300 1 288 . 1 1 101 101 LEU H H 1 5.64 . . . . . . . . 81 LEU HN . 27300 1 289 . 1 1 101 101 LEU CA C 13 53.326 . . . . . . . . 81 LEU CA . 27300 1 290 . 1 1 101 101 LEU CB C 13 45.782 . . . . . . . . 81 LEU CB . 27300 1 291 . 1 1 101 101 LEU N N 15 118.589 . . . . . . . . 81 LEU N . 27300 1 292 . 1 1 102 102 PHE H H 1 9.505 . . . . . . . . 82 PHE HN . 27300 1 293 . 1 1 102 102 PHE CA C 13 58.834 . . . . . . . . 82 PHE CA . 27300 1 294 . 1 1 102 102 PHE CB C 13 39.5 . . . . . . . . 82 PHE CB . 27300 1 295 . 1 1 102 102 PHE N N 15 124.724 . . . . . . . . 82 PHE N . 27300 1 296 . 1 1 103 103 HIS H H 1 6.854 . . . . . . . . 83 HIS HN . 27300 1 297 . 1 1 103 103 HIS CA C 13 57.2 . . . . . . . . 83 HIS CA . 27300 1 298 . 1 1 103 103 HIS N N 15 124.496 . . . . . . . . 83 HIS N . 27300 1 299 . 1 1 104 104 PRO CA C 13 66.7 . . . . . . . . 84 PRO CA . 27300 1 300 . 1 1 105 105 ASN H H 1 12.08 . . . . . . . . 85 ASN HN . 27300 1 301 . 1 1 105 105 ASN CA C 13 54.145 . . . . . . . . 85 ASN CA . 27300 1 302 . 1 1 105 105 ASN CB C 13 42.4 . . . . . . . . 85 ASN CB . 27300 1 303 . 1 1 105 105 ASN N N 15 117.686 . . . . . . . . 85 ASN N . 27300 1 304 . 1 1 106 106 VAL H H 1 7.301 . . . . . . . . 86 VAL HN . 27300 1 305 . 1 1 106 106 VAL CA C 13 61.6 . . . . . . . . 86 VAL CA . 27300 1 306 . 1 1 106 106 VAL CB C 13 34 . . . . . . . . 86 VAL CB . 27300 1 307 . 1 1 106 106 VAL N N 15 122.816 . . . . . . . . 86 VAL N . 27300 1 308 . 1 1 107 107 TYR H H 1 9.121 . . . . . . . . 87 TYR HN . 27300 1 309 . 1 1 107 107 TYR CA C 13 59.5 . . . . . . . . 87 TYR CA . 27300 1 310 . 1 1 107 107 TYR N N 15 125.679 . . . . . . . . 87 TYR N . 27300 1 311 . 1 1 108 108 PRO CA C 13 65.914 . . . . . . . . 88 PRO CA . 27300 1 312 . 1 1 108 108 PRO CB C 13 31.671 . . . . . . . . 88 PRO CB . 27300 1 313 . 1 1 109 109 SER H H 1 7.616 . . . . . . . . 89 SER HN . 27300 1 314 . 1 1 109 109 SER CA C 13 58.923 . . . . . . . . 89 SER CA . 27300 1 315 . 1 1 109 109 SER CB C 13 64.355 . . . . . . . . 89 SER CB . 27300 1 316 . 1 1 109 109 SER N N 15 107.182 . . . . . . . . 89 SER N . 27300 1 317 . 1 1 110 110 GLY H H 1 9.136 . . . . . . . . 90 GLY HN . 27300 1 318 . 1 1 110 110 GLY CA C 13 45.35 . . . . . . . . 90 GLY CA . 27300 1 319 . 1 1 110 110 GLY N N 15 111.295 . . . . . . . . 90 GLY N . 27300 1 320 . 1 1 111 111 THR H H 1 7.885 . . . . . . . . 91 THR HN . 27300 1 321 . 1 1 111 111 THR CA C 13 64.996 . . . . . . . . 91 THR CA . 27300 1 322 . 1 1 111 111 THR CB C 13 69.2 . . . . . . . . 91 THR CB . 27300 1 323 . 1 1 111 111 THR N N 15 119.608 . . . . . . . . 91 THR N . 27300 1 324 . 1 1 112 112 VAL H H 1 8.41 . . . . . . . . 92 VAL HN . 27300 1 325 . 1 1 112 112 VAL CA C 13 63.408 . . . . . . . . 92 VAL CA . 27300 1 326 . 1 1 112 112 VAL CB C 13 33.406 . . . . . . . . 92 VAL CB . 27300 1 327 . 1 1 112 112 VAL N N 15 126.211 . . . . . . . . 92 VAL N . 27300 1 328 . 1 1 113 113 CYS H H 1 8.388 . . . . . . . . 93 CYS HN . 27300 1 329 . 1 1 113 113 CYS CA C 13 58.221 . . . . . . . . 93 CYS CA . 27300 1 330 . 1 1 113 113 CYS CB C 13 27.24 . . . . . . . . 93 CYS CB . 27300 1 331 . 1 1 113 113 CYS N N 15 127.723 . . . . . . . . 93 CYS N . 27300 1 332 . 1 1 114 114 LEU H H 1 7.686 . . . . . . . . 94 LEU HN . 27300 1 333 . 1 1 114 114 LEU CA C 13 54.25 . . . . . . . . 94 LEU CA . 27300 1 334 . 1 1 114 114 LEU CB C 13 46.31 . . . . . . . . 94 LEU CB . 27300 1 335 . 1 1 114 114 LEU N N 15 125.95 . . . . . . . . 94 LEU N . 27300 1 336 . 1 1 115 115 SER H H 1 9.309 . . . . . . . . 95 SER HN . 27300 1 337 . 1 1 115 115 SER CA C 13 63.81 . . . . . . . . 95 SER CA . 27300 1 338 . 1 1 115 115 SER CB C 13 62.314 . . . . . . . . 95 SER CB . 27300 1 339 . 1 1 115 115 SER N N 15 124.042 . . . . . . . . 95 SER N . 27300 1 340 . 1 1 116 116 ILE H H 1 7.471 . . . . . . . . 96 ILE HN . 27300 1 341 . 1 1 116 116 ILE CA C 13 64.6 . . . . . . . . 96 ILE CA . 27300 1 342 . 1 1 116 116 ILE CB C 13 38.589 . . . . . . . . 96 ILE CB . 27300 1 343 . 1 1 116 116 ILE N N 15 114.207 . . . . . . . . 96 ILE N . 27300 1 344 . 1 1 117 117 LEU H H 1 7.785 . . . . . . . . 97 LEU HN . 27300 1 345 . 1 1 117 117 LEU CA C 13 53.108 . . . . . . . . 97 LEU CA . 27300 1 346 . 1 1 117 117 LEU CB C 13 41.395 . . . . . . . . 97 LEU CB . 27300 1 347 . 1 1 117 117 LEU N N 15 114.448 . . . . . . . . 97 LEU N . 27300 1 348 . 1 1 118 118 GLU H H 1 7.415 . . . . . . . . 98 GLU HN . 27300 1 349 . 1 1 118 118 GLU CA C 13 55.41 . . . . . . . . 98 GLU CA . 27300 1 350 . 1 1 118 118 GLU CB C 13 31.6 . . . . . . . . 98 GLU CB . 27300 1 351 . 1 1 118 118 GLU N N 15 118.335 . . . . . . . . 98 GLU N . 27300 1 352 . 1 1 119 119 GLU H H 1 9.602 . . . . . . . . 99 GLU HN . 27300 1 353 . 1 1 119 119 GLU CA C 13 59.91 . . . . . . . . 99 GLU CA . 27300 1 354 . 1 1 119 119 GLU CB C 13 30.039 . . . . . . . . 99 GLU CB . 27300 1 355 . 1 1 119 119 GLU N N 15 128.128 . . . . . . . . 99 GLU N . 27300 1 356 . 1 1 120 120 ASP H H 1 8.948 . . . . . . . . 100 ASP HN . 27300 1 357 . 1 1 120 120 ASP CA C 13 54.252 . . . . . . . . 100 ASP CA . 27300 1 358 . 1 1 120 120 ASP CB C 13 40.137 . . . . . . . . 100 ASP CB . 27300 1 359 . 1 1 120 120 ASP N N 15 114.351 . . . . . . . . 100 ASP N . 27300 1 360 . 1 1 121 121 LYS H H 1 7.713 . . . . . . . . 101 LYS HN . 27300 1 361 . 1 1 121 121 LYS CA C 13 56.066 . . . . . . . . 101 LYS CA . 27300 1 362 . 1 1 121 121 LYS CB C 13 33.089 . . . . . . . . 101 LYS CB . 27300 1 363 . 1 1 121 121 LYS N N 15 120.088 . . . . . . . . 101 LYS N . 27300 1 364 . 1 1 122 122 ASP H H 1 7.582 . . . . . . . . 102 ASP HN . 27300 1 365 . 1 1 122 122 ASP CA C 13 55.194 . . . . . . . . 102 ASP CA . 27300 1 366 . 1 1 122 122 ASP CB C 13 42.81 . . . . . . . . 102 ASP CB . 27300 1 367 . 1 1 122 122 ASP N N 15 118.086 . . . . . . . . 102 ASP N . 27300 1 368 . 1 1 123 123 TRP H H 1 7.559 . . . . . . . . 103 TRP HN . 27300 1 369 . 1 1 123 123 TRP CA C 13 60.01 . . . . . . . . 103 TRP CA . 27300 1 370 . 1 1 123 123 TRP CB C 13 29.939 . . . . . . . . 103 TRP CB . 27300 1 371 . 1 1 123 123 TRP N N 15 120.09 . . . . . . . . 103 TRP N . 27300 1 372 . 1 1 124 124 ARG H H 1 5.935 . . . . . . . . 104 ARG HN . 27300 1 373 . 1 1 124 124 ARG CA C 13 52.221 . . . . . . . . 104 ARG CA . 27300 1 374 . 1 1 124 124 ARG CB C 13 32.8 . . . . . . . . 104 ARG CB . 27300 1 375 . 1 1 124 124 ARG N N 15 126.369 . . . . . . . . 104 ARG N . 27300 1 376 . 1 1 125 125 PRO CA C 13 64.481 . . . . . . . . 105 PRO CA . 27300 1 377 . 1 1 125 125 PRO CB C 13 32.185 . . . . . . . . 105 PRO CB . 27300 1 378 . 1 1 126 126 ALA H H 1 7.031 . . . . . . . . 106 ALA HN . 27300 1 379 . 1 1 126 126 ALA CA C 13 52.863 . . . . . . . . 106 ALA CA . 27300 1 380 . 1 1 126 126 ALA CB C 13 19.311 . . . . . . . . 106 ALA CB . 27300 1 381 . 1 1 126 126 ALA N N 15 114.562 . . . . . . . . 106 ALA N . 27300 1 382 . 1 1 127 127 ILE H H 1 7.328 . . . . . . . . 107 ILE HN . 27300 1 383 . 1 1 127 127 ILE CA C 13 63.811 . . . . . . . . 107 ILE CA . 27300 1 384 . 1 1 127 127 ILE CB C 13 36.109 . . . . . . . . 107 ILE CB . 27300 1 385 . 1 1 127 127 ILE N N 15 121.485 . . . . . . . . 107 ILE N . 27300 1 386 . 1 1 128 128 THR H H 1 7.793 . . . . . . . . 108 THR HN . 27300 1 387 . 1 1 128 128 THR CA C 13 60.397 . . . . . . . . 108 THR CA . 27300 1 388 . 1 1 128 128 THR CB C 13 73.021 . . . . . . . . 108 THR CB . 27300 1 389 . 1 1 128 128 THR N N 15 117.18 . . . . . . . . 108 THR N . 27300 1 390 . 1 1 129 129 ILE H H 1 9.743 . . . . . . . . 109 ILE HN . 27300 1 391 . 1 1 129 129 ILE CA C 13 67.3 . . . . . . . . 109 ILE CA . 27300 1 392 . 1 1 129 129 ILE CB C 13 37.223 . . . . . . . . 109 ILE CB . 27300 1 393 . 1 1 129 129 ILE N N 15 121.094 . . . . . . . . 109 ILE N . 27300 1 394 . 1 1 130 130 LYS H H 1 8.262 . . . . . . . . 110 LYS HN . 27300 1 395 . 1 1 130 130 LYS CA C 13 61.426 . . . . . . . . 110 LYS CA . 27300 1 396 . 1 1 130 130 LYS CB C 13 32.854 . . . . . . . . 110 LYS CB . 27300 1 397 . 1 1 130 130 LYS N N 15 117.835 . . . . . . . . 110 LYS N . 27300 1 398 . 1 1 131 131 GLN H H 1 7.75 . . . . . . . . 111 GLN HN . 27300 1 399 . 1 1 131 131 GLN CA C 13 59.6 . . . . . . . . 111 GLN CA . 27300 1 400 . 1 1 131 131 GLN CB C 13 29.005 . . . . . . . . 111 GLN CB . 27300 1 401 . 1 1 131 131 GLN N N 15 116.833 . . . . . . . . 111 GLN N . 27300 1 402 . 1 1 132 132 ILE H H 1 8.335 . . . . . . . . 112 ILE HN . 27300 1 403 . 1 1 132 132 ILE CA C 13 66.568 . . . . . . . . 112 ILE CA . 27300 1 404 . 1 1 132 132 ILE CB C 13 38.539 . . . . . . . . 112 ILE CB . 27300 1 405 . 1 1 132 132 ILE N N 15 120.954 . . . . . . . . 112 ILE N . 27300 1 406 . 1 1 133 133 LEU H H 1 8.489 . . . . . . . . 113 LEU HN . 27300 1 407 . 1 1 133 133 LEU CA C 13 58.894 . . . . . . . . 113 LEU CA . 27300 1 408 . 1 1 133 133 LEU CB C 13 41.208 . . . . . . . . 113 LEU CB . 27300 1 409 . 1 1 133 133 LEU N N 15 117.566 . . . . . . . . 113 LEU N . 27300 1 410 . 1 1 134 134 LEU H H 1 8.628 . . . . . . . . 114 LEU HN . 27300 1 411 . 1 1 134 134 LEU CA C 13 58.626 . . . . . . . . 114 LEU CA . 27300 1 412 . 1 1 134 134 LEU CB C 13 42.5 . . . . . . . . 114 LEU CB . 27300 1 413 . 1 1 134 134 LEU N N 15 119.76 . . . . . . . . 114 LEU N . 27300 1 414 . 1 1 135 135 GLY H H 1 8.275 . . . . . . . . 115 GLY HN . 27300 1 415 . 1 1 135 135 GLY CA C 13 47.081 . . . . . . . . 115 GLY CA . 27300 1 416 . 1 1 135 135 GLY N N 15 109.278 . . . . . . . . 115 GLY N . 27300 1 417 . 1 1 136 136 ILE H H 1 8.669 . . . . . . . . 116 ILE HN . 27300 1 418 . 1 1 136 136 ILE CA C 13 65.882 . . . . . . . . 116 ILE CA . 27300 1 419 . 1 1 136 136 ILE CB C 13 37.571 . . . . . . . . 116 ILE CB . 27300 1 420 . 1 1 136 136 ILE N N 15 123.635 . . . . . . . . 116 ILE N . 27300 1 421 . 1 1 137 137 GLN H H 1 8.537 . . . . . . . . 117 GLN HN . 27300 1 422 . 1 1 137 137 GLN CA C 13 60.031 . . . . . . . . 117 GLN CA . 27300 1 423 . 1 1 137 137 GLN CB C 13 29.1 . . . . . . . . 117 GLN CB . 27300 1 424 . 1 1 137 137 GLN N N 15 118.464 . . . . . . . . 117 GLN N . 27300 1 425 . 1 1 138 138 GLU CA C 13 59.3 . . . . . . . . 118 GLU CA . 27300 1 426 . 1 1 138 138 GLU CB C 13 29.603 . . . . . . . . 118 GLU CB . 27300 1 427 . 1 1 139 139 LEU H H 1 7.416 . . . . . . . . 119 LEU HN . 27300 1 428 . 1 1 139 139 LEU CA C 13 56.152 . . . . . . . . 119 LEU CA . 27300 1 429 . 1 1 139 139 LEU CB C 13 43.6 . . . . . . . . 119 LEU CB . 27300 1 430 . 1 1 139 139 LEU N N 15 119.698 . . . . . . . . 119 LEU N . 27300 1 431 . 1 1 140 140 LEU CA C 13 57.6 . . . . . . . . 120 LEU CA . 27300 1 432 . 1 1 140 140 LEU CB C 13 39.3 . . . . . . . . 120 LEU CB . 27300 1 433 . 1 1 141 141 ASN CA C 13 55 . . . . . . . . 121 ASN CA . 27300 1 434 . 1 1 141 141 ASN CB C 13 41.6 . . . . . . . . 121 ASN CB . 27300 1 435 . 1 1 142 142 GLU CA C 13 53.8 . . . . . . . . 122 GLU CA . 27300 1 436 . 1 1 142 142 GLU CB C 13 30.9 . . . . . . . . 122 GLU CB . 27300 1 437 . 1 1 143 143 LEU CA C 13 63.779 . . . . . . . . 123 LEU CA . 27300 1 438 . 1 1 143 143 LEU CB C 13 32.8 . . . . . . . . 123 LEU CB . 27300 1 439 . 1 1 144 144 ASN H H 1 9.345 . . . . . . . . 124 ASN HN . 27300 1 440 . 1 1 144 144 ASN CA C 13 52.1 . . . . . . . . 124 ASN CA . 27300 1 441 . 1 1 144 144 ASN CB C 13 39.5 . . . . . . . . 124 ASN CB . 27300 1 442 . 1 1 144 144 ASN N N 15 121.852 . . . . . . . . 124 ASN N . 27300 1 443 . 1 1 146 146 GLN H H 1 8.089 . . . . . . . . 126 GLN HN . 27300 1 444 . 1 1 146 146 GLN CA C 13 56.692 . . . . . . . . 126 GLN CA . 27300 1 445 . 1 1 146 146 GLN CB C 13 29.2 . . . . . . . . 126 GLN CB . 27300 1 446 . 1 1 146 146 GLN N N 15 118.476 . . . . . . . . 126 GLN N . 27300 1 447 . 1 1 147 147 ASP CA C 13 52.2 . . . . . . . . 127 ASP CA . 27300 1 448 . 1 1 147 147 ASP CB C 13 42.6 . . . . . . . . 127 ASP CB . 27300 1 449 . 1 1 148 148 PRO CA C 13 63.5 . . . . . . . . 128 PRO CA . 27300 1 450 . 1 1 148 148 PRO CB C 13 32.491 . . . . . . . . 128 PRO CB . 27300 1 451 . 1 1 149 149 ALA H H 1 8.308 . . . . . . . . 129 ALA HN . 27300 1 452 . 1 1 149 149 ALA CA C 13 56.997 . . . . . . . . 129 ALA CA . 27300 1 453 . 1 1 149 149 ALA CB C 13 18.411 . . . . . . . . 129 ALA CB . 27300 1 454 . 1 1 149 149 ALA N N 15 123.673 . . . . . . . . 129 ALA N . 27300 1 455 . 1 1 150 150 GLN CA C 13 56.605 . . . . . . . . 130 GLN CA . 27300 1 456 . 1 1 150 150 GLN CB C 13 31.4 . . . . . . . . 130 GLN CB . 27300 1 457 . 1 1 151 151 ALA H H 1 8.582 . . . . . . . . 131 ALA HN . 27300 1 458 . 1 1 151 151 ALA CA C 13 55.64 . . . . . . . . 131 ALA CA . 27300 1 459 . 1 1 151 151 ALA CB C 13 18.971 . . . . . . . . 131 ALA CB . 27300 1 460 . 1 1 151 151 ALA N N 15 126.401 . . . . . . . . 131 ALA N . 27300 1 461 . 1 1 152 152 GLU H H 1 9.291 . . . . . . . . 132 GLU HN . 27300 1 462 . 1 1 152 152 GLU CA C 13 55.534 . . . . . . . . 132 GLU CA . 27300 1 463 . 1 1 152 152 GLU CB C 13 42.633 . . . . . . . . 132 GLU CB . 27300 1 464 . 1 1 152 152 GLU N N 15 119.975 . . . . . . . . 132 GLU N . 27300 1 465 . 1 1 153 153 ALA H H 1 7.853 . . . . . . . . 133 ALA HN . 27300 1 466 . 1 1 153 153 ALA CA C 13 59.305 . . . . . . . . 133 ALA CA . 27300 1 467 . 1 1 153 153 ALA CB C 13 17.6 . . . . . . . . 133 ALA CB . 27300 1 468 . 1 1 153 153 ALA N N 15 118.859 . . . . . . . . 133 ALA N . 27300 1 469 . 1 1 154 154 TYR H H 1 7.756 . . . . . . . . 134 TYR HN . 27300 1 470 . 1 1 154 154 TYR CA C 13 62.5 . . . . . . . . 134 TYR CA . 27300 1 471 . 1 1 154 154 TYR N N 15 116.082 . . . . . . . . 134 TYR N . 27300 1 472 . 1 1 155 155 THR H H 1 8.73 . . . . . . . . 135 THR HN . 27300 1 473 . 1 1 155 155 THR CA C 13 69.783 . . . . . . . . 135 THR CA . 27300 1 474 . 1 1 155 155 THR CB C 13 69.7 . . . . . . . . 135 THR CB . 27300 1 475 . 1 1 155 155 THR N N 15 116.91 . . . . . . . . 135 THR N . 27300 1 476 . 1 1 156 156 ILE CA C 13 65.7 . . . . . . . . 136 ILE CA . 27300 1 477 . 1 1 156 156 ILE CB C 13 38.8 . . . . . . . . 136 ILE CB . 27300 1 478 . 1 1 157 157 TYR H H 1 8.26 . . . . . . . . 137 TYR HN . 27300 1 479 . 1 1 157 157 TYR CA C 13 63.9 . . . . . . . . 137 TYR CA . 27300 1 480 . 1 1 157 157 TYR CB C 13 38.9 . . . . . . . . 137 TYR CB . 27300 1 481 . 1 1 157 157 TYR N N 15 119.675 . . . . . . . . 137 TYR N . 27300 1 482 . 1 1 158 158 CYS H H 1 7.645 . . . . . . . . 138 CYS HN . 27300 1 483 . 1 1 158 158 CYS CA C 13 58.778 . . . . . . . . 138 CYS CA . 27300 1 484 . 1 1 158 158 CYS CB C 13 28.403 . . . . . . . . 138 CYS CB . 27300 1 485 . 1 1 158 158 CYS N N 15 112.616 . . . . . . . . 138 CYS N . 27300 1 486 . 1 1 159 159 GLN H H 1 8.409 . . . . . . . . 139 GLN HN . 27300 1 487 . 1 1 159 159 GLN CA C 13 57.221 . . . . . . . . 139 GLN CA . 27300 1 488 . 1 1 159 159 GLN CB C 13 29.843 . . . . . . . . 139 GLN CB . 27300 1 489 . 1 1 159 159 GLN N N 15 117.348 . . . . . . . . 139 GLN N . 27300 1 490 . 1 1 160 160 ASN H H 1 9.054 . . . . . . . . 140 ASN HN . 27300 1 491 . 1 1 160 160 ASN CA C 13 52.397 . . . . . . . . 140 ASN CA . 27300 1 492 . 1 1 160 160 ASN CB C 13 38.4 . . . . . . . . 140 ASN CB . 27300 1 493 . 1 1 160 160 ASN N N 15 119.159 . . . . . . . . 140 ASN N . 27300 1 494 . 1 1 161 161 ARG H H 1 8.792 . . . . . . . . 141 ARG HN . 27300 1 495 . 1 1 161 161 ARG CA C 13 58.3 . . . . . . . . 141 ARG CA . 27300 1 496 . 1 1 161 161 ARG CB C 13 29.266 . . . . . . . . 141 ARG CB . 27300 1 497 . 1 1 161 161 ARG N N 15 125.333 . . . . . . . . 141 ARG N . 27300 1 498 . 1 1 162 162 VAL H H 1 8.036 . . . . . . . . 142 VAL HN . 27300 1 499 . 1 1 162 162 VAL CA C 13 66.587 . . . . . . . . 142 VAL CA . 27300 1 500 . 1 1 162 162 VAL CB C 13 32.4 . . . . . . . . 142 VAL CB . 27300 1 501 . 1 1 162 162 VAL N N 15 118.216 . . . . . . . . 142 VAL N . 27300 1 502 . 1 1 163 163 GLU H H 1 7.371 . . . . . . . . 143 GLU HN . 27300 1 503 . 1 1 163 163 GLU CA C 13 58.439 . . . . . . . . 143 GLU CA . 27300 1 504 . 1 1 163 163 GLU CB C 13 29.005 . . . . . . . . 143 GLU CB . 27300 1 505 . 1 1 163 163 GLU N N 15 122.212 . . . . . . . . 143 GLU N . 27300 1 506 . 1 1 164 164 TYR H H 1 8.493 . . . . . . . . 144 TYR HN . 27300 1 507 . 1 1 164 164 TYR CA C 13 63.723 . . . . . . . . 144 TYR CA . 27300 1 508 . 1 1 164 164 TYR CB C 13 42.5 . . . . . . . . 144 TYR CB . 27300 1 509 . 1 1 164 164 TYR N N 15 120.147 . . . . . . . . 144 TYR N . 27300 1 510 . 1 1 165 165 GLU H H 1 8.581 . . . . . . . . 145 GLU HN . 27300 1 511 . 1 1 165 165 GLU CA C 13 60.739 . . . . . . . . 145 GLU CA . 27300 1 512 . 1 1 165 165 GLU CB C 13 29.5 . . . . . . . . 145 GLU CB . 27300 1 513 . 1 1 165 165 GLU N N 15 117.329 . . . . . . . . 145 GLU N . 27300 1 514 . 1 1 166 166 LYS H H 1 8 . . . . . . . . 146 LYS HN . 27300 1 515 . 1 1 166 166 LYS CA C 13 60.676 . . . . . . . . 146 LYS CA . 27300 1 516 . 1 1 166 166 LYS CB C 13 33.2 . . . . . . . . 146 LYS CB . 27300 1 517 . 1 1 166 166 LYS N N 15 119.927 . . . . . . . . 146 LYS N . 27300 1 518 . 1 1 167 167 ARG H H 1 8.017 . . . . . . . . 147 ARG HN . 27300 1 519 . 1 1 167 167 ARG CA C 13 60.503 . . . . . . . . 147 ARG CA . 27300 1 520 . 1 1 167 167 ARG CB C 13 32.612 . . . . . . . . 147 ARG CB . 27300 1 521 . 1 1 167 167 ARG N N 15 119.86 . . . . . . . . 147 ARG N . 27300 1 522 . 1 1 168 168 VAL H H 1 8.152 . . . . . . . . 148 VAL HN . 27300 1 523 . 1 1 168 168 VAL CA C 13 58.88 . . . . . . . . 148 VAL CA . 27300 1 524 . 1 1 168 168 VAL CB C 13 31.5 . . . . . . . . 148 VAL CB . 27300 1 525 . 1 1 168 168 VAL N N 15 120.089 . . . . . . . . 148 VAL N . 27300 1 526 . 1 1 169 169 ARG CA C 13 60.6 . . . . . . . . 149 ARG CA . 27300 1 527 . 1 1 169 169 ARG CB C 13 30.7 . . . . . . . . 149 ARG CB . 27300 1 528 . 1 1 170 170 ALA CA C 13 55.9 . . . . . . . . 150 ALA CA . 27300 1 529 . 1 1 170 170 ALA CB C 13 18.5 . . . . . . . . 150 ALA CB . 27300 1 530 . 1 1 171 171 GLN H H 1 7.742 . . . . . . . . 151 GLN HN . 27300 1 531 . 1 1 171 171 GLN CA C 13 58.905 . . . . . . . . 151 GLN CA . 27300 1 532 . 1 1 171 171 GLN CB C 13 30.737 . . . . . . . . 151 GLN CB . 27300 1 533 . 1 1 171 171 GLN N N 15 120.539 . . . . . . . . 151 GLN N . 27300 1 534 . 1 1 172 172 ALA H H 1 8.403 . . . . . . . . 152 ALA HN . 27300 1 535 . 1 1 172 172 ALA CA C 13 55.966 . . . . . . . . 152 ALA CA . 27300 1 536 . 1 1 172 172 ALA CB C 13 19 . . . . . . . . 152 ALA CB . 27300 1 537 . 1 1 172 172 ALA N N 15 122.927 . . . . . . . . 152 ALA N . 27300 1 538 . 1 1 173 173 LYS CA C 13 58.8 . . . . . . . . 153 LYS CA . 27300 1 539 . 1 1 173 173 LYS CB C 13 32.9 . . . . . . . . 153 LYS CB . 27300 1 540 . 1 1 174 174 LYS CA C 13 59 . . . . . . . . 154 LYS CA . 27300 1 541 . 1 1 174 174 LYS CB C 13 32.9 . . . . . . . . 154 LYS CB . 27300 1 542 . 1 1 175 175 PHE CA C 13 56.779 . . . . . . . . 155 PHE CA . 27300 1 543 . 1 1 175 175 PHE CB C 13 37.439 . . . . . . . . 155 PHE CB . 27300 1 544 . 1 1 176 176 ALA H H 1 7.236 . . . . . . . . 156 ALA HN . 27300 1 545 . 1 1 176 176 ALA CA C 13 51.066 . . . . . . . . 156 ALA CA . 27300 1 546 . 1 1 176 176 ALA CB C 13 18.7 . . . . . . . . 156 ALA CB . 27300 1 547 . 1 1 176 176 ALA N N 15 126.247 . . . . . . . . 156 ALA N . 27300 1 548 . 1 1 177 177 PRO CA C 13 63.7 . . . . . . . . 157 PRO CA . 27300 1 549 . 1 1 177 177 PRO CB C 13 32.5 . . . . . . . . 157 PRO CB . 27300 1 550 . 1 1 178 178 SER H H 1 8.04 . . . . . . . . 158 SER HN . 27300 1 551 . 1 1 178 178 SER CA C 13 60.168 . . . . . . . . 158 SER CA . 27300 1 552 . 1 1 178 178 SER CB C 13 65.7 . . . . . . . . 158 SER CB . 27300 1 553 . 1 1 178 178 SER N N 15 121.719 . . . . . . . . 158 SER N . 27300 1 stop_ save_