data_26916 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26916 _Entry.Title ; Recombinant Human Granulocyte-Colony Stimulating Factor variant C3 (G-CSFC3) backbone assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-08 _Entry.Accession_date 2016-10-08 _Entry.Last_release_date 2016-10-28 _Entry.Original_release_date 2016-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Chemical shift assignments for backbone amide nitrogen and proton atoms as well as alpha, beta and carbonyl carbon atoms of G-CSFC3 at pH 4 and pH 7. ; _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 Rhys Thomas . D. . . 26916 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Astbury Centre for Structural Molecular Biology, University of Leeds' . 26916 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 26916 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 909 26916 '15N chemical shifts' 324 26916 '1H chemical shifts' 324 26916 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 . . 2016-10-28 . original BMRB . 26916 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26916 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Elucidating a role for protein dynamics in the aggregation of a Granulocyte-Colony Stimulating Factor variant ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Rhys Thomas . . . . 26916 1 2 Arnout Kalverda . . . . 26916 1 3 Katie Stewart . . . . 26916 1 4 Andrew Buchanan . . . . 26916 1 5 Sheena Radford . . . . 26916 1 6 David Brockwell . . . . 26916 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26916 _Assembly.ID 1 _Assembly.Name G-CSFC3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 18721 _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 G-CSFC3 1 $G-CSFC3 A . yes native yes no . . ; X-Pro bonds undergoing cis/trans isomerisation result in two peaks for some atoms of N-terminal residues (extra peaks are reported in an extra shift loop) ; 26916 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 43 43 SG . . . . . . . . . . 26916 1 2 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 75 75 SG . . . . . . . . . . 26916 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_G-CSFC3 _Entity.Sf_category entity _Entity.Sf_framecode G-CSFC3 _Entity.Entry_ID 26916 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name G-CSFC3 _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 ; MTPLGPASSLPQSFLLKGLE QVRKIQGDGAALQEKLCATY KLCHPEELVLLGHSLGIPRA PLSSCPSQALRLAGCLSQLH SGLLLYQGLLQALEGISPEL GPTLDTLQLDVADFATTIWQ QMEELGMAPALQPTQGAMPA FASAFQRRAGGVLVASHLQS FLEVSYRVLRHLAQP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1 Met' _Entity.Polymer_author_seq_details ; G-CSFC3 is identical to wild type human G-CSF (expressed recombinantly in E. coli) apart from substitutions C18G, W59R, Q71R and F84L. ; _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 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Cytokine 26916 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26916 1 2 2 THR . 26916 1 3 3 PRO . 26916 1 4 4 LEU . 26916 1 5 5 GLY . 26916 1 6 6 PRO . 26916 1 7 7 ALA . 26916 1 8 8 SER . 26916 1 9 9 SER . 26916 1 10 10 LEU . 26916 1 11 11 PRO . 26916 1 12 12 GLN . 26916 1 13 13 SER . 26916 1 14 14 PHE . 26916 1 15 15 LEU . 26916 1 16 16 LEU . 26916 1 17 17 LYS . 26916 1 18 18 GLY . 26916 1 19 19 LEU . 26916 1 20 20 GLU . 26916 1 21 21 GLN . 26916 1 22 22 VAL . 26916 1 23 23 ARG . 26916 1 24 24 LYS . 26916 1 25 25 ILE . 26916 1 26 26 GLN . 26916 1 27 27 GLY . 26916 1 28 28 ASP . 26916 1 29 29 GLY . 26916 1 30 30 ALA . 26916 1 31 31 ALA . 26916 1 32 32 LEU . 26916 1 33 33 GLN . 26916 1 34 34 GLU . 26916 1 35 35 LYS . 26916 1 36 36 LEU . 26916 1 37 37 CYS . 26916 1 38 38 ALA . 26916 1 39 39 THR . 26916 1 40 40 TYR . 26916 1 41 41 LYS . 26916 1 42 42 LEU . 26916 1 43 43 CYS . 26916 1 44 44 HIS . 26916 1 45 45 PRO . 26916 1 46 46 GLU . 26916 1 47 47 GLU . 26916 1 48 48 LEU . 26916 1 49 49 VAL . 26916 1 50 50 LEU . 26916 1 51 51 LEU . 26916 1 52 52 GLY . 26916 1 53 53 HIS . 26916 1 54 54 SER . 26916 1 55 55 LEU . 26916 1 56 56 GLY . 26916 1 57 57 ILE . 26916 1 58 58 PRO . 26916 1 59 59 ARG . 26916 1 60 60 ALA . 26916 1 61 61 PRO . 26916 1 62 62 LEU . 26916 1 63 63 SER . 26916 1 64 64 SER . 26916 1 65 65 CYS . 26916 1 66 66 PRO . 26916 1 67 67 SER . 26916 1 68 68 GLN . 26916 1 69 69 ALA . 26916 1 70 70 LEU . 26916 1 71 71 ARG . 26916 1 72 72 LEU . 26916 1 73 73 ALA . 26916 1 74 74 GLY . 26916 1 75 75 CYS . 26916 1 76 76 LEU . 26916 1 77 77 SER . 26916 1 78 78 GLN . 26916 1 79 79 LEU . 26916 1 80 80 HIS . 26916 1 81 81 SER . 26916 1 82 82 GLY . 26916 1 83 83 LEU . 26916 1 84 84 LEU . 26916 1 85 85 LEU . 26916 1 86 86 TYR . 26916 1 87 87 GLN . 26916 1 88 88 GLY . 26916 1 89 89 LEU . 26916 1 90 90 LEU . 26916 1 91 91 GLN . 26916 1 92 92 ALA . 26916 1 93 93 LEU . 26916 1 94 94 GLU . 26916 1 95 95 GLY . 26916 1 96 96 ILE . 26916 1 97 97 SER . 26916 1 98 98 PRO . 26916 1 99 99 GLU . 26916 1 100 100 LEU . 26916 1 101 101 GLY . 26916 1 102 102 PRO . 26916 1 103 103 THR . 26916 1 104 104 LEU . 26916 1 105 105 ASP . 26916 1 106 106 THR . 26916 1 107 107 LEU . 26916 1 108 108 GLN . 26916 1 109 109 LEU . 26916 1 110 110 ASP . 26916 1 111 111 VAL . 26916 1 112 112 ALA . 26916 1 113 113 ASP . 26916 1 114 114 PHE . 26916 1 115 115 ALA . 26916 1 116 116 THR . 26916 1 117 117 THR . 26916 1 118 118 ILE . 26916 1 119 119 TRP . 26916 1 120 120 GLN . 26916 1 121 121 GLN . 26916 1 122 122 MET . 26916 1 123 123 GLU . 26916 1 124 124 GLU . 26916 1 125 125 LEU . 26916 1 126 126 GLY . 26916 1 127 127 MET . 26916 1 128 128 ALA . 26916 1 129 129 PRO . 26916 1 130 130 ALA . 26916 1 131 131 LEU . 26916 1 132 132 GLN . 26916 1 133 133 PRO . 26916 1 134 134 THR . 26916 1 135 135 GLN . 26916 1 136 136 GLY . 26916 1 137 137 ALA . 26916 1 138 138 MET . 26916 1 139 139 PRO . 26916 1 140 140 ALA . 26916 1 141 141 PHE . 26916 1 142 142 ALA . 26916 1 143 143 SER . 26916 1 144 144 ALA . 26916 1 145 145 PHE . 26916 1 146 146 GLN . 26916 1 147 147 ARG . 26916 1 148 148 ARG . 26916 1 149 149 ALA . 26916 1 150 150 GLY . 26916 1 151 151 GLY . 26916 1 152 152 VAL . 26916 1 153 153 LEU . 26916 1 154 154 VAL . 26916 1 155 155 ALA . 26916 1 156 156 SER . 26916 1 157 157 HIS . 26916 1 158 158 LEU . 26916 1 159 159 GLN . 26916 1 160 160 SER . 26916 1 161 161 PHE . 26916 1 162 162 LEU . 26916 1 163 163 GLU . 26916 1 164 164 VAL . 26916 1 165 165 SER . 26916 1 166 166 TYR . 26916 1 167 167 ARG . 26916 1 168 168 VAL . 26916 1 169 169 LEU . 26916 1 170 170 ARG . 26916 1 171 171 HIS . 26916 1 172 172 LEU . 26916 1 173 173 ALA . 26916 1 174 174 GLN . 26916 1 175 175 PRO . 26916 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 26916 1 . THR 2 2 26916 1 . PRO 3 3 26916 1 . LEU 4 4 26916 1 . GLY 5 5 26916 1 . PRO 6 6 26916 1 . ALA 7 7 26916 1 . SER 8 8 26916 1 . SER 9 9 26916 1 . LEU 10 10 26916 1 . PRO 11 11 26916 1 . GLN 12 12 26916 1 . SER 13 13 26916 1 . PHE 14 14 26916 1 . LEU 15 15 26916 1 . LEU 16 16 26916 1 . LYS 17 17 26916 1 . GLY 18 18 26916 1 . LEU 19 19 26916 1 . GLU 20 20 26916 1 . GLN 21 21 26916 1 . VAL 22 22 26916 1 . ARG 23 23 26916 1 . LYS 24 24 26916 1 . ILE 25 25 26916 1 . GLN 26 26 26916 1 . GLY 27 27 26916 1 . ASP 28 28 26916 1 . GLY 29 29 26916 1 . ALA 30 30 26916 1 . ALA 31 31 26916 1 . LEU 32 32 26916 1 . GLN 33 33 26916 1 . GLU 34 34 26916 1 . LYS 35 35 26916 1 . LEU 36 36 26916 1 . CYS 37 37 26916 1 . ALA 38 38 26916 1 . THR 39 39 26916 1 . TYR 40 40 26916 1 . LYS 41 41 26916 1 . LEU 42 42 26916 1 . CYS 43 43 26916 1 . HIS 44 44 26916 1 . PRO 45 45 26916 1 . GLU 46 46 26916 1 . GLU 47 47 26916 1 . LEU 48 48 26916 1 . VAL 49 49 26916 1 . LEU 50 50 26916 1 . LEU 51 51 26916 1 . GLY 52 52 26916 1 . HIS 53 53 26916 1 . SER 54 54 26916 1 . LEU 55 55 26916 1 . GLY 56 56 26916 1 . ILE 57 57 26916 1 . PRO 58 58 26916 1 . ARG 59 59 26916 1 . ALA 60 60 26916 1 . PRO 61 61 26916 1 . LEU 62 62 26916 1 . SER 63 63 26916 1 . SER 64 64 26916 1 . CYS 65 65 26916 1 . PRO 66 66 26916 1 . SER 67 67 26916 1 . GLN 68 68 26916 1 . ALA 69 69 26916 1 . LEU 70 70 26916 1 . ARG 71 71 26916 1 . LEU 72 72 26916 1 . ALA 73 73 26916 1 . GLY 74 74 26916 1 . CYS 75 75 26916 1 . LEU 76 76 26916 1 . SER 77 77 26916 1 . GLN 78 78 26916 1 . LEU 79 79 26916 1 . HIS 80 80 26916 1 . SER 81 81 26916 1 . GLY 82 82 26916 1 . LEU 83 83 26916 1 . LEU 84 84 26916 1 . LEU 85 85 26916 1 . TYR 86 86 26916 1 . GLN 87 87 26916 1 . GLY 88 88 26916 1 . LEU 89 89 26916 1 . LEU 90 90 26916 1 . GLN 91 91 26916 1 . ALA 92 92 26916 1 . LEU 93 93 26916 1 . GLU 94 94 26916 1 . GLY 95 95 26916 1 . ILE 96 96 26916 1 . SER 97 97 26916 1 . PRO 98 98 26916 1 . GLU 99 99 26916 1 . LEU 100 100 26916 1 . GLY 101 101 26916 1 . PRO 102 102 26916 1 . THR 103 103 26916 1 . LEU 104 104 26916 1 . ASP 105 105 26916 1 . THR 106 106 26916 1 . LEU 107 107 26916 1 . GLN 108 108 26916 1 . LEU 109 109 26916 1 . ASP 110 110 26916 1 . VAL 111 111 26916 1 . ALA 112 112 26916 1 . ASP 113 113 26916 1 . PHE 114 114 26916 1 . ALA 115 115 26916 1 . THR 116 116 26916 1 . THR 117 117 26916 1 . ILE 118 118 26916 1 . TRP 119 119 26916 1 . GLN 120 120 26916 1 . GLN 121 121 26916 1 . MET 122 122 26916 1 . GLU 123 123 26916 1 . GLU 124 124 26916 1 . LEU 125 125 26916 1 . GLY 126 126 26916 1 . MET 127 127 26916 1 . ALA 128 128 26916 1 . PRO 129 129 26916 1 . ALA 130 130 26916 1 . LEU 131 131 26916 1 . GLN 132 132 26916 1 . PRO 133 133 26916 1 . THR 134 134 26916 1 . GLN 135 135 26916 1 . GLY 136 136 26916 1 . ALA 137 137 26916 1 . MET 138 138 26916 1 . PRO 139 139 26916 1 . ALA 140 140 26916 1 . PHE 141 141 26916 1 . ALA 142 142 26916 1 . SER 143 143 26916 1 . ALA 144 144 26916 1 . PHE 145 145 26916 1 . GLN 146 146 26916 1 . ARG 147 147 26916 1 . ARG 148 148 26916 1 . ALA 149 149 26916 1 . GLY 150 150 26916 1 . GLY 151 151 26916 1 . VAL 152 152 26916 1 . LEU 153 153 26916 1 . VAL 154 154 26916 1 . ALA 155 155 26916 1 . SER 156 156 26916 1 . HIS 157 157 26916 1 . LEU 158 158 26916 1 . GLN 159 159 26916 1 . SER 160 160 26916 1 . PHE 161 161 26916 1 . LEU 162 162 26916 1 . GLU 163 163 26916 1 . VAL 164 164 26916 1 . SER 165 165 26916 1 . TYR 166 166 26916 1 . ARG 167 167 26916 1 . VAL 168 168 26916 1 . LEU 169 169 26916 1 . ARG 170 170 26916 1 . HIS 171 171 26916 1 . LEU 172 172 26916 1 . ALA 173 173 26916 1 . GLN 174 174 26916 1 . PRO 175 175 26916 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 26916 _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 $G-CSFC3 . 562 organism . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli 'BL21(DE3) pLysS' . . . . . . . . . . . . 26916 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 26916 _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 $G-CSFC3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pLysS' . . . . . pET23a . . . 26916 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_G-CSFC3_pH4 _Sample.Sf_category sample _Sample.Sf_framecode G-CSFC3_pH4 _Sample.Entry_ID 26916 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 G-CSFC3 '[U-13C; U-15N]' . . 1 $G-CSFC3 . . 0.47 . . mM . . . . 26916 1 2 'sodium phosphate' 'natural abundance' . . . . . . 18 . . mM . . . . 26916 1 3 'sodium acetate' 'natural abundance' . . . . . . 18 . . mM . . . . 26916 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26916 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26916 1 stop_ save_ save_G-CSFC3_pH7 _Sample.Sf_category sample _Sample.Sf_framecode G-CSFC3_pH7 _Sample.Entry_ID 26916 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 G-CSFC3 '[U-13C; U-15N]' . . 1 $G-CSFC3 . . 0.46 . . mM . . . . 26916 2 2 'sodium phosphate' 'natural abundance' . . . . . . 18 . . mM . . . . 26916 2 3 'sodium acetate' 'natural abundance' . . . . . . 18 . . mM . . . . 26916 2 4 'sodium azide' 'natural abundance' . . . . . . 0.018 . . '% w/v' . . . . 26916 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26916 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26916 2 stop_ save_ ####################### # Sample conditions # ####################### save_G-CSFC3_pH4_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode G-CSFC3_pH4_conditions _Sample_condition_list.Entry_ID 26916 _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' 39 . mM 26916 1 pH 4 . pH 26916 1 pressure 1 . atm 26916 1 temperature 298 . K 26916 1 stop_ save_ save_G-CSFC3_pH7_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode G-CSFC3_pH7_conditions _Sample_condition_list.Entry_ID 26916 _Sample_condition_list.ID 2 _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' 68 . mM 26916 2 pH 7 . pH 26916 2 pressure 1 . atm 26916 2 temperature 298 . K 26916 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26916 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26916 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26916 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26916 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26916 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26916 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26916 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26916 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26916 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26916 _Software.ID 4 _Software.Name CcpNmr_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26916 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26916 4 'peak picking' 26916 4 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 26916 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26916 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 26916 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 26916 _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 $G-CSFC3_pH4 isotropic . . 1 $G-CSFC3_pH4_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $G-CSFC3_pH4 isotropic . . 1 $G-CSFC3_pH4_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 3 '3D HNCA' no . . . . . . . . . . 1 $G-CSFC3_pH4 isotropic . . 1 $G-CSFC3_pH4_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $G-CSFC3_pH4 isotropic . . 1 $G-CSFC3_pH4_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 5 '3D HNCO' no . . . . . . . . . . 1 $G-CSFC3_pH4 isotropic . . 1 $G-CSFC3_pH4_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $G-CSFC3_pH4 isotropic . . 1 $G-CSFC3_pH4_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $G-CSFC3_pH7 isotropic . . 2 $G-CSFC3_pH7_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $G-CSFC3_pH7 isotropic . . 2 $G-CSFC3_pH7_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 9 '3D HNCA' no . . . . . . . . . . 2 $G-CSFC3_pH7 isotropic . . 2 $G-CSFC3_pH7_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $G-CSFC3_pH7 isotropic . . 2 $G-CSFC3_pH7_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 11 '3D HNCO' no . . . . . . . . . . 2 $G-CSFC3_pH7 isotropic . . 2 $G-CSFC3_pH7_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 12 '3D HN(CA)CO' no . . . . . . . . . . 2 $G-CSFC3_pH7 isotropic . . 2 $G-CSFC3_pH7_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26916 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26916 _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 0.00 na indirect 0.251449530 . . . . . 26916 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26916 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26916 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_G-CSFC3_pH4_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode G-CSFC3_pH4_shift_list _Assigned_chem_shift_list.Entry_ID 26916 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $G-CSFC3_pH4_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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' . . . 26916 1 2 '3D CBCA(CO)NH' . . . 26916 1 3 '3D HNCA' . . . 26916 1 4 '3D HN(CO)CA' . . . 26916 1 5 '3D HNCO' . . . 26916 1 6 '3D HN(CA)CO' . . . 26916 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 171.809 0.2 . 1 . . . . 1 Met C . 26916 1 2 . 1 1 1 1 MET CA C 13 54.6 0.2 . 1 . . . . 1 Met CA . 26916 1 3 . 1 1 1 1 MET CB C 13 33.111 0.2 . 1 . . . . 1 Met CB . 26916 1 4 . 1 1 2 2 THR H H 1 8.702 0.03 . 1 . . . . 2 Thr H . 26916 1 5 . 1 1 2 2 THR C C 13 173.608 0.2 . 1 . . . . 2 Thr C . 26916 1 6 . 1 1 2 2 THR CA C 13 59.635 0.2 . 1 . . . . 2 Thr CA . 26916 1 7 . 1 1 2 2 THR N N 15 121.184 0.25 . 1 . . . . 2 Thr N . 26916 1 8 . 1 1 3 3 PRO C C 13 176.242 0.2 . 1 . . . . 3 Pro C . 26916 1 9 . 1 1 3 3 PRO CA C 13 62.68 0.2 . 1 . . . . 3 Pro CA . 26916 1 10 . 1 1 3 3 PRO CB C 13 32.574 0.2 . 1 . . . . 3 Pro CB . 26916 1 11 . 1 1 4 4 LEU H H 1 8.354 0.03 . 1 . . . . 4 Leu H . 26916 1 12 . 1 1 4 4 LEU C C 13 177.211 0.2 . 1 . . . . 4 Leu C . 26916 1 13 . 1 1 4 4 LEU CA C 13 54.726 0.2 . 1 . . . . 4 Leu CA . 26916 1 14 . 1 1 4 4 LEU CB C 13 43.065 0.2 . 1 . . . . 4 Leu CB . 26916 1 15 . 1 1 4 4 LEU N N 15 122.625 0.25 . 1 . . . . 4 Leu N . 26916 1 16 . 1 1 5 5 GLY H H 1 8.233 0.03 . 1 . . . . 5 Gly H . 26916 1 17 . 1 1 5 5 GLY CA C 13 44.25 0.2 . 1 . . . . 5 Gly CA . 26916 1 18 . 1 1 5 5 GLY N N 15 109.729 0.25 . 1 . . . . 5 Gly N . 26916 1 19 . 1 1 6 6 PRO C C 13 176.617 0.2 . 1 . . . . 6 Pro C . 26916 1 20 . 1 1 6 6 PRO CA C 13 62.853 0.2 . 1 . . . . 6 Pro CA . 26916 1 21 . 1 1 6 6 PRO CB C 13 32.565 0.2 . 1 . . . . 6 Pro CB . 26916 1 22 . 1 1 7 7 ALA H H 1 8.461 0.03 . 1 . . . . 7 Ala H . 26916 1 23 . 1 1 7 7 ALA C C 13 177.273 0.2 . 1 . . . . 7 Ala C . 26916 1 24 . 1 1 7 7 ALA CA C 13 52.147 0.2 . 1 . . . . 7 Ala CA . 26916 1 25 . 1 1 7 7 ALA CB C 13 19.619 0.2 . 1 . . . . 7 Ala CB . 26916 1 26 . 1 1 7 7 ALA N N 15 123.682 0.25 . 1 . . . . 7 Ala N . 26916 1 27 . 1 1 8 8 SER H H 1 8.216 0.03 . 1 . . . . 8 Ser H . 26916 1 28 . 1 1 8 8 SER C C 13 173.597 0.2 . 1 . . . . 8 Ser C . 26916 1 29 . 1 1 8 8 SER CA C 13 58.042 0.2 . 1 . . . . 8 Ser CA . 26916 1 30 . 1 1 8 8 SER CB C 13 64.594 0.2 . 1 . . . . 8 Ser CB . 26916 1 31 . 1 1 8 8 SER N N 15 114.327 0.25 . 1 . . . . 8 Ser N . 26916 1 32 . 1 1 9 9 SER H H 1 8.08 0.03 . 1 . . . . 9 Ser H . 26916 1 33 . 1 1 9 9 SER C C 13 173.207 0.2 . 1 . . . . 9 Ser C . 26916 1 34 . 1 1 9 9 SER CA C 13 57.454 0.2 . 1 . . . . 9 Ser CA . 26916 1 35 . 1 1 9 9 SER N N 15 116.535 0.25 . 1 . . . . 9 Ser N . 26916 1 36 . 1 1 10 10 LEU H H 1 8.367 0.03 . 1 . . . . 10 Leu H . 26916 1 37 . 1 1 10 10 LEU C C 13 173.791 0.2 . 1 . . . . 10 Leu C . 26916 1 38 . 1 1 10 10 LEU CA C 13 51.832 0.2 . 1 . . . . 10 Leu CA . 26916 1 39 . 1 1 10 10 LEU N N 15 122.622 0.25 . 1 . . . . 10 Leu N . 26916 1 40 . 1 1 11 11 PRO C C 13 177.568 0.2 . 1 . . . . 11 Pro C . 26916 1 41 . 1 1 11 11 PRO CA C 13 62.269 0.2 . 1 . . . . 11 Pro CA . 26916 1 42 . 1 1 11 11 PRO CB C 13 32.506 0.2 . 1 . . . . 11 Pro CB . 26916 1 43 . 1 1 12 12 GLN H H 1 9.005 0.03 . 1 . . . . 12 Gln H . 26916 1 44 . 1 1 12 12 GLN C C 13 177.528 0.2 . 1 . . . . 12 Gln C . 26916 1 45 . 1 1 12 12 GLN CA C 13 58.602 0.2 . 1 . . . . 12 Gln CA . 26916 1 46 . 1 1 12 12 GLN CB C 13 28.882 0.2 . 1 . . . . 12 Gln CB . 26916 1 47 . 1 1 12 12 GLN N N 15 124.413 0.25 . 1 . . . . 12 Gln N . 26916 1 48 . 1 1 13 13 SER H H 1 8.691 0.03 . 1 . . . . 13 Ser H . 26916 1 49 . 1 1 13 13 SER C C 13 176.588 0.2 . 1 . . . . 13 Ser C . 26916 1 50 . 1 1 13 13 SER CA C 13 60.409 0.2 . 1 . . . . 13 Ser CA . 26916 1 51 . 1 1 13 13 SER CB C 13 61.972 0.2 . 1 . . . . 13 Ser CB . 26916 1 52 . 1 1 13 13 SER N N 15 112.49 0.25 . 1 . . . . 13 Ser N . 26916 1 53 . 1 1 14 14 PHE H H 1 7.216 0.03 . 1 . . . . 14 Phe H . 26916 1 54 . 1 1 14 14 PHE C C 13 176.134 0.2 . 1 . . . . 14 Phe C . 26916 1 55 . 1 1 14 14 PHE CA C 13 59.693 0.2 . 1 . . . . 14 Phe CA . 26916 1 56 . 1 1 14 14 PHE CB C 13 39.742 0.2 . 1 . . . . 14 Phe CB . 26916 1 57 . 1 1 14 14 PHE N N 15 122.477 0.25 . 1 . . . . 14 Phe N . 26916 1 58 . 1 1 15 15 LEU H H 1 7.516 0.03 . 1 . . . . 15 Leu H . 26916 1 59 . 1 1 15 15 LEU C C 13 177.81 0.2 . 1 . . . . 15 Leu C . 26916 1 60 . 1 1 15 15 LEU CA C 13 57.407 0.2 . 1 . . . . 15 Leu CA . 26916 1 61 . 1 1 15 15 LEU CB C 13 42.355 0.2 . 1 . . . . 15 Leu CB . 26916 1 62 . 1 1 15 15 LEU N N 15 120.015 0.25 . 1 . . . . 15 Leu N . 26916 1 63 . 1 1 16 16 LEU H H 1 8.354 0.03 . 1 . . . . 16 Leu H . 26916 1 64 . 1 1 16 16 LEU C C 13 179.838 0.2 . 1 . . . . 16 Leu C . 26916 1 65 . 1 1 16 16 LEU CA C 13 57.502 0.2 . 1 . . . . 16 Leu CA . 26916 1 66 . 1 1 16 16 LEU CB C 13 41.801 0.2 . 1 . . . . 16 Leu CB . 26916 1 67 . 1 1 16 16 LEU N N 15 116.926 0.25 . 1 . . . . 16 Leu N . 26916 1 68 . 1 1 17 17 LYS H H 1 7.633 0.03 . 1 . . . . 17 Lys H . 26916 1 69 . 1 1 17 17 LYS C C 13 178.502 0.2 . 1 . . . . 17 Lys C . 26916 1 70 . 1 1 17 17 LYS CA C 13 58.427 0.2 . 1 . . . . 17 Lys CA . 26916 1 71 . 1 1 17 17 LYS CB C 13 32.572 0.2 . 1 . . . . 17 Lys CB . 26916 1 72 . 1 1 17 17 LYS N N 15 120.24 0.25 . 1 . . . . 17 Lys N . 26916 1 73 . 1 1 18 18 GLY H H 1 8.63 0.03 . 1 . . . . 18 Gly H . 26916 1 74 . 1 1 18 18 GLY C C 13 174.378 0.2 . 1 . . . . 18 Gly C . 26916 1 75 . 1 1 18 18 GLY CA C 13 46.656 0.2 . 1 . . . . 18 Gly CA . 26916 1 76 . 1 1 18 18 GLY N N 15 107.922 0.25 . 1 . . . . 18 Gly N . 26916 1 77 . 1 1 19 19 LEU H H 1 8.207 0.03 . 1 . . . . 19 Leu H . 26916 1 78 . 1 1 19 19 LEU C C 13 178.899 0.2 . 1 . . . . 19 Leu C . 26916 1 79 . 1 1 19 19 LEU CA C 13 58.142 0.2 . 1 . . . . 19 Leu CA . 26916 1 80 . 1 1 19 19 LEU CB C 13 41.977 0.2 . 1 . . . . 19 Leu CB . 26916 1 81 . 1 1 19 19 LEU N N 15 121.121 0.25 . 1 . . . . 19 Leu N . 26916 1 82 . 1 1 20 20 GLU H H 1 7.489 0.03 . 1 . . . . 20 Glu H . 26916 1 83 . 1 1 20 20 GLU C C 13 178.995 0.2 . 1 . . . . 20 Glu C . 26916 1 84 . 1 1 20 20 GLU CA C 13 58.519 0.2 . 1 . . . . 20 Glu CA . 26916 1 85 . 1 1 20 20 GLU CB C 13 28.866 0.2 . 1 . . . . 20 Glu CB . 26916 1 86 . 1 1 20 20 GLU N N 15 118.642 0.25 . 1 . . . . 20 Glu N . 26916 1 87 . 1 1 21 21 GLN H H 1 8.458 0.03 . 1 . . . . 21 Gln H . 26916 1 88 . 1 1 21 21 GLN C C 13 178.481 0.2 . 1 . . . . 21 Gln C . 26916 1 89 . 1 1 21 21 GLN CA C 13 58.838 0.2 . 1 . . . . 21 Gln CA . 26916 1 90 . 1 1 21 21 GLN CB C 13 28.433 0.2 . 1 . . . . 21 Gln CB . 26916 1 91 . 1 1 21 21 GLN N N 15 121.087 0.25 . 1 . . . . 21 Gln N . 26916 1 92 . 1 1 22 22 VAL H H 1 8.426 0.03 . 1 . . . . 22 Val H . 26916 1 93 . 1 1 22 22 VAL C C 13 177.158 0.2 . 1 . . . . 22 Val C . 26916 1 94 . 1 1 22 22 VAL CA C 13 66.935 0.2 . 1 . . . . 22 Val CA . 26916 1 95 . 1 1 22 22 VAL CB C 13 31.839 0.2 . 1 . . . . 22 Val CB . 26916 1 96 . 1 1 22 22 VAL N N 15 120.081 0.25 . 1 . . . . 22 Val N . 26916 1 97 . 1 1 23 23 ARG H H 1 7.625 0.03 . 1 . . . . 23 Arg H . 26916 1 98 . 1 1 23 23 ARG C C 13 179.415 0.2 . 1 . . . . 23 Arg C . 26916 1 99 . 1 1 23 23 ARG CA C 13 58.366 0.2 . 1 . . . . 23 Arg CA . 26916 1 100 . 1 1 23 23 ARG CB C 13 30.442 0.2 . 1 . . . . 23 Arg CB . 26916 1 101 . 1 1 23 23 ARG N N 15 118.291 0.25 . 1 . . . . 23 Arg N . 26916 1 102 . 1 1 24 24 LYS H H 1 7.984 0.03 . 1 . . . . 24 Lys H . 26916 1 103 . 1 1 24 24 LYS C C 13 178.663 0.2 . 1 . . . . 24 Lys C . 26916 1 104 . 1 1 24 24 LYS CA C 13 58.772 0.2 . 1 . . . . 24 Lys CA . 26916 1 105 . 1 1 24 24 LYS CB C 13 33.052 0.2 . 1 . . . . 24 Lys CB . 26916 1 106 . 1 1 24 24 LYS N N 15 122.105 0.25 . 1 . . . . 24 Lys N . 26916 1 107 . 1 1 25 25 ILE H H 1 8.244 0.03 . 1 . . . . 25 Ile H . 26916 1 108 . 1 1 25 25 ILE C C 13 178.385 0.2 . 1 . . . . 25 Ile C . 26916 1 109 . 1 1 25 25 ILE CA C 13 64.623 0.2 . 1 . . . . 25 Ile CA . 26916 1 110 . 1 1 25 25 ILE CB C 13 38.356 0.2 . 1 . . . . 25 Ile CB . 26916 1 111 . 1 1 25 25 ILE N N 15 119.432 0.25 . 1 . . . . 25 Ile N . 26916 1 112 . 1 1 26 26 GLN H H 1 8.861 0.03 . 1 . . . . 26 Gln H . 26916 1 113 . 1 1 26 26 GLN C C 13 179.921 0.2 . 1 . . . . 26 Gln C . 26916 1 114 . 1 1 26 26 GLN CA C 13 59.003 0.2 . 1 . . . . 26 Gln CA . 26916 1 115 . 1 1 26 26 GLN CB C 13 29.32 0.2 . 1 . . . . 26 Gln CB . 26916 1 116 . 1 1 26 26 GLN N N 15 119.864 0.25 . 1 . . . . 26 Gln N . 26916 1 117 . 1 1 27 27 GLY H H 1 8.118 0.03 . 1 . . . . 27 Gly H . 26916 1 118 . 1 1 27 27 GLY C C 13 176.592 0.2 . 1 . . . . 27 Gly C . 26916 1 119 . 1 1 27 27 GLY CA C 13 46.849 0.2 . 1 . . . . 27 Gly CA . 26916 1 120 . 1 1 27 27 GLY N N 15 107.817 0.25 . 1 . . . . 27 Gly N . 26916 1 121 . 1 1 28 28 ASP H H 1 8.485 0.03 . 1 . . . . 28 Asp H . 26916 1 122 . 1 1 28 28 ASP C C 13 178.962 0.2 . 1 . . . . 28 Asp C . 26916 1 123 . 1 1 28 28 ASP CA C 13 55.49 0.2 . 1 . . . . 28 Asp CA . 26916 1 124 . 1 1 28 28 ASP CB C 13 39.842 0.2 . 1 . . . . 28 Asp CB . 26916 1 125 . 1 1 28 28 ASP N N 15 124.326 0.25 . 1 . . . . 28 Asp N . 26916 1 126 . 1 1 29 29 GLY H H 1 9.28 0.03 . 1 . . . . 29 Gly H . 26916 1 127 . 1 1 29 29 GLY C C 13 174.729 0.2 . 1 . . . . 29 Gly C . 26916 1 128 . 1 1 29 29 GLY CA C 13 46.382 0.2 . 1 . . . . 29 Gly CA . 26916 1 129 . 1 1 29 29 GLY N N 15 109.533 0.25 . 1 . . . . 29 Gly N . 26916 1 130 . 1 1 30 30 ALA H H 1 8.288 0.03 . 1 . . . . 30 Ala H . 26916 1 131 . 1 1 30 30 ALA C C 13 180.026 0.2 . 1 . . . . 30 Ala C . 26916 1 132 . 1 1 30 30 ALA CA C 13 54.391 0.2 . 1 . . . . 30 Ala CA . 26916 1 133 . 1 1 30 30 ALA CB C 13 18.125 0.2 . 1 . . . . 30 Ala CB . 26916 1 134 . 1 1 30 30 ALA N N 15 125.679 0.25 . 1 . . . . 30 Ala N . 26916 1 135 . 1 1 31 31 ALA H H 1 7.949 0.03 . 1 . . . . 31 Ala H . 26916 1 136 . 1 1 31 31 ALA C C 13 180.035 0.2 . 1 . . . . 31 Ala C . 26916 1 137 . 1 1 31 31 ALA CA C 13 54.574 0.2 . 1 . . . . 31 Ala CA . 26916 1 138 . 1 1 31 31 ALA CB C 13 18.215 0.2 . 1 . . . . 31 Ala CB . 26916 1 139 . 1 1 31 31 ALA N N 15 121.433 0.25 . 1 . . . . 31 Ala N . 26916 1 140 . 1 1 32 32 LEU H H 1 7.59 0.03 . 1 . . . . 32 Leu H . 26916 1 141 . 1 1 32 32 LEU C C 13 177.448 0.2 . 1 . . . . 32 Leu C . 26916 1 142 . 1 1 32 32 LEU CA C 13 57.874 0.2 . 1 . . . . 32 Leu CA . 26916 1 143 . 1 1 32 32 LEU CB C 13 42.054 0.2 . 1 . . . . 32 Leu CB . 26916 1 144 . 1 1 32 32 LEU N N 15 118.763 0.25 . 1 . . . . 32 Leu N . 26916 1 145 . 1 1 33 33 GLN H H 1 8.442 0.03 . 1 . . . . 33 Gln H . 26916 1 146 . 1 1 33 33 GLN C C 13 178.812 0.2 . 1 . . . . 33 Gln C . 26916 1 147 . 1 1 33 33 GLN CA C 13 59.637 0.2 . 1 . . . . 33 Gln CA . 26916 1 148 . 1 1 33 33 GLN CB C 13 29.719 0.2 . 1 . . . . 33 Gln CB . 26916 1 149 . 1 1 33 33 GLN N N 15 117.974 0.25 . 1 . . . . 33 Gln N . 26916 1 150 . 1 1 34 34 GLU H H 1 8.721 0.03 . 1 . . . . 34 Glu H . 26916 1 151 . 1 1 34 34 GLU C C 13 178.623 0.2 . 1 . . . . 34 Glu C . 26916 1 152 . 1 1 34 34 GLU CA C 13 58.889 0.2 . 1 . . . . 34 Glu CA . 26916 1 153 . 1 1 34 34 GLU CB C 13 28.509 0.2 . 1 . . . . 34 Glu CB . 26916 1 154 . 1 1 34 34 GLU N N 15 120.428 0.25 . 1 . . . . 34 Glu N . 26916 1 155 . 1 1 35 35 LYS H H 1 8.126 0.03 . 1 . . . . 35 Lys H . 26916 1 156 . 1 1 35 35 LYS C C 13 179.923 0.2 . 1 . . . . 35 Lys C . 26916 1 157 . 1 1 35 35 LYS CA C 13 58.843 0.2 . 1 . . . . 35 Lys CA . 26916 1 158 . 1 1 35 35 LYS CB C 13 33.347 0.2 . 1 . . . . 35 Lys CB . 26916 1 159 . 1 1 35 35 LYS N N 15 120.577 0.25 . 1 . . . . 35 Lys N . 26916 1 160 . 1 1 36 36 LEU H H 1 8.566 0.03 . 1 . . . . 36 Leu H . 26916 1 161 . 1 1 36 36 LEU C C 13 178.58 0.2 . 1 . . . . 36 Leu C . 26916 1 162 . 1 1 36 36 LEU CA C 13 58.611 0.2 . 1 . . . . 36 Leu CA . 26916 1 163 . 1 1 36 36 LEU CB C 13 42.116 0.2 . 1 . . . . 36 Leu CB . 26916 1 164 . 1 1 36 36 LEU N N 15 121.899 0.25 . 1 . . . . 36 Leu N . 26916 1 165 . 1 1 37 37 CYS H H 1 7.959 0.03 . 1 . . . . 37 Cys H . 26916 1 166 . 1 1 37 37 CYS C C 13 176.544 0.2 . 1 . . . . 37 Cys C . 26916 1 167 . 1 1 37 37 CYS CA C 13 56.681 0.2 . 1 . . . . 37 Cys CA . 26916 1 168 . 1 1 37 37 CYS CB C 13 38.452 0.2 . 1 . . . . 37 Cys CB . 26916 1 169 . 1 1 37 37 CYS N N 15 118.139 0.25 . 1 . . . . 37 Cys N . 26916 1 170 . 1 1 38 38 ALA H H 1 8.84 0.03 . 1 . . . . 38 Ala H . 26916 1 171 . 1 1 38 38 ALA C C 13 179.047 0.2 . 1 . . . . 38 Ala C . 26916 1 172 . 1 1 38 38 ALA CA C 13 54.821 0.2 . 1 . . . . 38 Ala CA . 26916 1 173 . 1 1 38 38 ALA CB C 13 19.334 0.2 . 1 . . . . 38 Ala CB . 26916 1 174 . 1 1 38 38 ALA N N 15 123.402 0.25 . 1 . . . . 38 Ala N . 26916 1 175 . 1 1 39 39 THR H H 1 8.191 0.03 . 1 . . . . 39 Thr H . 26916 1 176 . 1 1 39 39 THR C C 13 174.878 0.2 . 1 . . . . 39 Thr C . 26916 1 177 . 1 1 39 39 THR CA C 13 65.1 0.2 . 1 . . . . 39 Thr CA . 26916 1 178 . 1 1 39 39 THR CB C 13 70.405 0.2 . 1 . . . . 39 Thr CB . 26916 1 179 . 1 1 39 39 THR N N 15 110.433 0.25 . 1 . . . . 39 Thr N . 26916 1 180 . 1 1 40 40 TYR H H 1 7.145 0.03 . 1 . . . . 40 Tyr H . 26916 1 181 . 1 1 40 40 TYR C C 13 174.288 0.2 . 1 . . . . 40 Tyr C . 26916 1 182 . 1 1 40 40 TYR CA C 13 56.524 0.2 . 1 . . . . 40 Tyr CA . 26916 1 183 . 1 1 40 40 TYR CB C 13 40.135 0.2 . 1 . . . . 40 Tyr CB . 26916 1 184 . 1 1 40 40 TYR N N 15 115.813 0.25 . 1 . . . . 40 Tyr N . 26916 1 185 . 1 1 41 41 LYS H H 1 7.7 0.03 . 1 . . . . 41 Lys H . 26916 1 186 . 1 1 41 41 LYS C C 13 175.799 0.2 . 1 . . . . 41 Lys C . 26916 1 187 . 1 1 41 41 LYS CA C 13 57.141 0.2 . 1 . . . . 41 Lys CA . 26916 1 188 . 1 1 41 41 LYS CB C 13 29.135 0.2 . 1 . . . . 41 Lys CB . 26916 1 189 . 1 1 41 41 LYS N N 15 114.505 0.25 . 1 . . . . 41 Lys N . 26916 1 190 . 1 1 42 42 LEU H H 1 7.012 0.03 . 1 . . . . 42 Leu H . 26916 1 191 . 1 1 42 42 LEU C C 13 174.978 0.2 . 1 . . . . 42 Leu C . 26916 1 192 . 1 1 42 42 LEU CA C 13 53.032 0.2 . 1 . . . . 42 Leu CA . 26916 1 193 . 1 1 42 42 LEU CB C 13 42.655 0.2 . 1 . . . . 42 Leu CB . 26916 1 194 . 1 1 42 42 LEU N N 15 121.557 0.25 . 1 . . . . 42 Leu N . 26916 1 195 . 1 1 43 43 CYS H H 1 8.055 0.03 . 1 . . . . 43 Cys H . 26916 1 196 . 1 1 43 43 CYS C C 13 173.202 0.2 . 1 . . . . 43 Cys C . 26916 1 197 . 1 1 43 43 CYS CA C 13 56.59 0.2 . 1 . . . . 43 Cys CA . 26916 1 198 . 1 1 43 43 CYS CB C 13 48.262 0.2 . 1 . . . . 43 Cys CB . 26916 1 199 . 1 1 43 43 CYS N N 15 118.55 0.25 . 1 . . . . 43 Cys N . 26916 1 200 . 1 1 44 44 HIS H H 1 8.479 0.03 . 1 . . . . 44 His H . 26916 1 201 . 1 1 44 44 HIS C C 13 173.128 0.2 . 1 . . . . 44 His C . 26916 1 202 . 1 1 44 44 HIS CA C 13 51.942 0.2 . 1 . . . . 44 His CA . 26916 1 203 . 1 1 44 44 HIS N N 15 116.955 0.25 . 1 . . . . 44 His N . 26916 1 204 . 1 1 45 45 PRO C C 13 177.532 0.2 . 1 . . . . 45 Pro C . 26916 1 205 . 1 1 45 45 PRO CA C 13 65.015 0.2 . 1 . . . . 45 Pro CA . 26916 1 206 . 1 1 45 45 PRO CB C 13 32.318 0.2 . 1 . . . . 45 Pro CB . 26916 1 207 . 1 1 46 46 GLU H H 1 10.044 0.03 . 1 . . . . 46 Glu H . 26916 1 208 . 1 1 46 46 GLU C C 13 177.56 0.2 . 1 . . . . 46 Glu C . 26916 1 209 . 1 1 46 46 GLU CA C 13 58.69 0.2 . 1 . . . . 46 Glu CA . 26916 1 210 . 1 1 46 46 GLU CB C 13 28.102 0.2 . 1 . . . . 46 Glu CB . 26916 1 211 . 1 1 46 46 GLU N N 15 118.613 0.25 . 1 . . . . 46 Glu N . 26916 1 212 . 1 1 47 47 GLU H H 1 7.682 0.03 . 1 . . . . 47 Glu H . 26916 1 213 . 1 1 47 47 GLU C C 13 176.758 0.2 . 1 . . . . 47 Glu C . 26916 1 214 . 1 1 47 47 GLU CA C 13 56.655 0.2 . 1 . . . . 47 Glu CA . 26916 1 215 . 1 1 47 47 GLU CB C 13 30.081 0.2 . 1 . . . . 47 Glu CB . 26916 1 216 . 1 1 47 47 GLU N N 15 117.589 0.25 . 1 . . . . 47 Glu N . 26916 1 217 . 1 1 48 48 LEU H H 1 7.713 0.03 . 1 . . . . 48 Leu H . 26916 1 218 . 1 1 48 48 LEU C C 13 176.577 0.2 . 1 . . . . 48 Leu C . 26916 1 219 . 1 1 48 48 LEU CA C 13 53.743 0.2 . 1 . . . . 48 Leu CA . 26916 1 220 . 1 1 48 48 LEU CB C 13 42.92 0.2 . 1 . . . . 48 Leu CB . 26916 1 221 . 1 1 48 48 LEU N N 15 118.629 0.25 . 1 . . . . 48 Leu N . 26916 1 222 . 1 1 49 49 VAL H H 1 7.231 0.03 . 1 . . . . 49 Val H . 26916 1 223 . 1 1 49 49 VAL C C 13 177.643 0.2 . 1 . . . . 49 Val C . 26916 1 224 . 1 1 49 49 VAL CA C 13 65.105 0.2 . 1 . . . . 49 Val CA . 26916 1 225 . 1 1 49 49 VAL CB C 13 32.501 0.2 . 1 . . . . 49 Val CB . 26916 1 226 . 1 1 49 49 VAL N N 15 119.53 0.25 . 1 . . . . 49 Val N . 26916 1 227 . 1 1 50 50 LEU H H 1 8.427 0.03 . 1 . . . . 50 Leu H . 26916 1 228 . 1 1 50 50 LEU C C 13 179.171 0.2 . 1 . . . . 50 Leu C . 26916 1 229 . 1 1 50 50 LEU CA C 13 57.314 0.2 . 1 . . . . 50 Leu CA . 26916 1 230 . 1 1 50 50 LEU CB C 13 41.438 0.2 . 1 . . . . 50 Leu CB . 26916 1 231 . 1 1 50 50 LEU N N 15 122.123 0.25 . 1 . . . . 50 Leu N . 26916 1 232 . 1 1 51 51 LEU H H 1 8.019 0.03 . 1 . . . . 51 Leu H . 26916 1 233 . 1 1 51 51 LEU C C 13 178.786 0.2 . 1 . . . . 51 Leu C . 26916 1 234 . 1 1 51 51 LEU CA C 13 56.664 0.2 . 1 . . . . 51 Leu CA . 26916 1 235 . 1 1 51 51 LEU CB C 13 41.777 0.2 . 1 . . . . 51 Leu CB . 26916 1 236 . 1 1 51 51 LEU N N 15 122.232 0.25 . 1 . . . . 51 Leu N . 26916 1 237 . 1 1 52 52 GLY H H 1 8.388 0.03 . 1 . . . . 52 Gly H . 26916 1 238 . 1 1 52 52 GLY C C 13 175.257 0.2 . 1 . . . . 52 Gly C . 26916 1 239 . 1 1 52 52 GLY CA C 13 47.449 0.2 . 1 . . . . 52 Gly CA . 26916 1 240 . 1 1 52 52 GLY N N 15 106.157 0.25 . 1 . . . . 52 Gly N . 26916 1 241 . 1 1 53 53 HIS H H 1 8.03 0.03 . 1 . . . . 53 His H . 26916 1 242 . 1 1 53 53 HIS C C 13 176.396 0.2 . 1 . . . . 53 His C . 26916 1 243 . 1 1 53 53 HIS CA C 13 57.022 0.2 . 1 . . . . 53 His CA . 26916 1 244 . 1 1 53 53 HIS CB C 13 28.709 0.2 . 1 . . . . 53 His CB . 26916 1 245 . 1 1 53 53 HIS N N 15 118.621 0.25 . 1 . . . . 53 His N . 26916 1 246 . 1 1 54 54 SER H H 1 8.409 0.03 . 1 . . . . 54 Ser H . 26916 1 247 . 1 1 54 54 SER C C 13 175.286 0.2 . 1 . . . . 54 Ser C . 26916 1 248 . 1 1 54 54 SER CA C 13 60.281 0.2 . 1 . . . . 54 Ser CA . 26916 1 249 . 1 1 54 54 SER CB C 13 63.529 0.2 . 1 . . . . 54 Ser CB . 26916 1 250 . 1 1 54 54 SER N N 15 116.707 0.25 . 1 . . . . 54 Ser N . 26916 1 251 . 1 1 55 55 LEU H H 1 8.203 0.03 . 1 . . . . 55 Leu H . 26916 1 252 . 1 1 55 55 LEU C C 13 176.85 0.2 . 1 . . . . 55 Leu C . 26916 1 253 . 1 1 55 55 LEU CA C 13 55.025 0.2 . 1 . . . . 55 Leu CA . 26916 1 254 . 1 1 55 55 LEU CB C 13 43.441 0.2 . 1 . . . . 55 Leu CB . 26916 1 255 . 1 1 55 55 LEU N N 15 120.157 0.25 . 1 . . . . 55 Leu N . 26916 1 256 . 1 1 56 56 GLY H H 1 7.704 0.03 . 1 . . . . 56 Gly H . 26916 1 257 . 1 1 56 56 GLY C C 13 174.356 0.2 . 1 . . . . 56 Gly C . 26916 1 258 . 1 1 56 56 GLY CA C 13 46.165 0.2 . 1 . . . . 56 Gly CA . 26916 1 259 . 1 1 56 56 GLY N N 15 107.048 0.25 . 1 . . . . 56 Gly N . 26916 1 260 . 1 1 57 57 ILE H H 1 7.826 0.03 . 1 . . . . 57 Ile H . 26916 1 261 . 1 1 57 57 ILE C C 13 173.875 0.2 . 1 . . . . 57 Ile C . 26916 1 262 . 1 1 57 57 ILE CA C 13 58.441 0.2 . 1 . . . . 57 Ile CA . 26916 1 263 . 1 1 57 57 ILE N N 15 120.122 0.25 . 1 . . . . 57 Ile N . 26916 1 264 . 1 1 58 58 PRO C C 13 174.579 0.2 . 1 . . . . 58 Pro C . 26916 1 265 . 1 1 58 58 PRO CA C 13 62.204 0.2 . 1 . . . . 58 Pro CA . 26916 1 266 . 1 1 58 58 PRO CB C 13 33.003 0.2 . 1 . . . . 58 Pro CB . 26916 1 267 . 1 1 59 59 ARG H H 1 8.291 0.03 . 1 . . . . 59 Arg H . 26916 1 268 . 1 1 59 59 ARG C C 13 174.727 0.2 . 1 . . . . 59 Arg C . 26916 1 269 . 1 1 59 59 ARG CA C 13 54.002 0.2 . 1 . . . . 59 Arg CA . 26916 1 270 . 1 1 59 59 ARG CB C 13 32.302 0.2 . 1 . . . . 59 Arg CB . 26916 1 271 . 1 1 59 59 ARG N N 15 118.075 0.25 . 1 . . . . 59 Arg N . 26916 1 272 . 1 1 60 60 ALA H H 1 8.247 0.03 . 1 . . . . 60 Ala H . 26916 1 273 . 1 1 60 60 ALA C C 13 174.581 0.2 . 1 . . . . 60 Ala C . 26916 1 274 . 1 1 60 60 ALA CA C 13 48.99 0.2 . 1 . . . . 60 Ala CA . 26916 1 275 . 1 1 60 60 ALA N N 15 126.632 0.25 . 1 . . . . 60 Ala N . 26916 1 276 . 1 1 61 61 PRO C C 13 176.501 0.2 . 1 . . . . 61 Pro C . 26916 1 277 . 1 1 61 61 PRO CA C 13 62.604 0.2 . 1 . . . . 61 Pro CA . 26916 1 278 . 1 1 61 61 PRO CB C 13 33.256 0.2 . 1 . . . . 61 Pro CB . 26916 1 279 . 1 1 62 62 LEU H H 1 8.469 0.03 . 1 . . . . 62 Leu H . 26916 1 280 . 1 1 62 62 LEU C C 13 178.903 0.2 . 1 . . . . 62 Leu C . 26916 1 281 . 1 1 62 62 LEU CA C 13 53.856 0.2 . 1 . . . . 62 Leu CA . 26916 1 282 . 1 1 62 62 LEU CB C 13 43.635 0.2 . 1 . . . . 62 Leu CB . 26916 1 283 . 1 1 62 62 LEU N N 15 121.818 0.25 . 1 . . . . 62 Leu N . 26916 1 284 . 1 1 63 63 SER H H 1 7.354 0.03 . 1 . . . . 63 Ser H . 26916 1 285 . 1 1 63 63 SER C C 13 175.657 0.2 . 1 . . . . 63 Ser C . 26916 1 286 . 1 1 63 63 SER CA C 13 59.779 0.2 . 1 . . . . 63 Ser CA . 26916 1 287 . 1 1 63 63 SER N N 15 115.649 0.25 . 1 . . . . 63 Ser N . 26916 1 288 . 1 1 64 64 SER H H 1 10.087 0.03 . 1 . . . . 64 Ser H . 26916 1 289 . 1 1 64 64 SER C C 13 173.274 0.2 . 1 . . . . 64 Ser C . 26916 1 290 . 1 1 64 64 SER CA C 13 58.863 0.2 . 1 . . . . 64 Ser CA . 26916 1 291 . 1 1 64 64 SER CB C 13 63.499 0.2 . 1 . . . . 64 Ser CB . 26916 1 292 . 1 1 64 64 SER N N 15 118.877 0.25 . 1 . . . . 64 Ser N . 26916 1 293 . 1 1 65 65 CYS H H 1 7.958 0.03 . 1 . . . . 65 Cys H . 26916 1 294 . 1 1 65 65 CYS C C 13 170.978 0.2 . 1 . . . . 65 Cys C . 26916 1 295 . 1 1 65 65 CYS CA C 13 53.486 0.2 . 1 . . . . 65 Cys CA . 26916 1 296 . 1 1 65 65 CYS N N 15 118.72 0.25 . 1 . . . . 65 Cys N . 26916 1 297 . 1 1 66 66 PRO C C 13 176.416 0.2 . 1 . . . . 66 Pro C . 26916 1 298 . 1 1 66 66 PRO CA C 13 63.905 0.2 . 1 . . . . 66 Pro CA . 26916 1 299 . 1 1 66 66 PRO CB C 13 31.824 0.2 . 1 . . . . 66 Pro CB . 26916 1 300 . 1 1 67 67 SER H H 1 8.365 0.03 . 1 . . . . 67 Ser H . 26916 1 301 . 1 1 67 67 SER C C 13 174.763 0.2 . 1 . . . . 67 Ser C . 26916 1 302 . 1 1 67 67 SER CA C 13 60.663 0.2 . 1 . . . . 67 Ser CA . 26916 1 303 . 1 1 67 67 SER CB C 13 62.567 0.2 . 1 . . . . 67 Ser CB . 26916 1 304 . 1 1 67 67 SER N N 15 114.872 0.25 . 1 . . . . 67 Ser N . 26916 1 305 . 1 1 68 68 GLN H H 1 8.162 0.03 . 1 . . . . 68 Gln H . 26916 1 306 . 1 1 68 68 GLN C C 13 174.634 0.2 . 1 . . . . 68 Gln C . 26916 1 307 . 1 1 68 68 GLN CA C 13 55.514 0.2 . 1 . . . . 68 Gln CA . 26916 1 308 . 1 1 68 68 GLN CB C 13 29.564 0.2 . 1 . . . . 68 Gln CB . 26916 1 309 . 1 1 68 68 GLN N N 15 117.92 0.25 . 1 . . . . 68 Gln N . 26916 1 310 . 1 1 69 69 ALA H H 1 8.066 0.03 . 1 . . . . 69 Ala H . 26916 1 311 . 1 1 69 69 ALA C C 13 174.753 0.2 . 1 . . . . 69 Ala C . 26916 1 312 . 1 1 69 69 ALA CA C 13 51.59 0.2 . 1 . . . . 69 Ala CA . 26916 1 313 . 1 1 69 69 ALA CB C 13 18.412 0.2 . 1 . . . . 69 Ala CB . 26916 1 314 . 1 1 69 69 ALA N N 15 124.245 0.25 . 1 . . . . 69 Ala N . 26916 1 315 . 1 1 70 70 LEU H H 1 7.676 0.03 . 1 . . . . 70 Leu H . 26916 1 316 . 1 1 70 70 LEU C C 13 176.867 0.2 . 1 . . . . 70 Leu C . 26916 1 317 . 1 1 70 70 LEU CA C 13 56.197 0.2 . 1 . . . . 70 Leu CA . 26916 1 318 . 1 1 70 70 LEU CB C 13 42.698 0.2 . 1 . . . . 70 Leu CB . 26916 1 319 . 1 1 70 70 LEU N N 15 121.877 0.25 . 1 . . . . 70 Leu N . 26916 1 320 . 1 1 71 71 ARG H H 1 8.602 0.03 . 1 . . . . 71 Arg H . 26916 1 321 . 1 1 71 71 ARG C C 13 175.801 0.2 . 1 . . . . 71 Arg C . 26916 1 322 . 1 1 71 71 ARG CA C 13 54.101 0.2 . 1 . . . . 71 Arg CA . 26916 1 323 . 1 1 71 71 ARG CB C 13 30.259 0.2 . 1 . . . . 71 Arg CB . 26916 1 324 . 1 1 71 71 ARG N N 15 127.754 0.25 . 1 . . . . 71 Arg N . 26916 1 325 . 1 1 72 72 LEU H H 1 8.673 0.03 . 1 . . . . 72 Leu H . 26916 1 326 . 1 1 72 72 LEU C C 13 177.186 0.2 . 1 . . . . 72 Leu C . 26916 1 327 . 1 1 72 72 LEU CA C 13 59.303 0.2 . 1 . . . . 72 Leu CA . 26916 1 328 . 1 1 72 72 LEU CB C 13 42.475 0.2 . 1 . . . . 72 Leu CB . 26916 1 329 . 1 1 72 72 LEU N N 15 125.94 0.25 . 1 . . . . 72 Leu N . 26916 1 330 . 1 1 73 73 ALA H H 1 8.915 0.03 . 1 . . . . 73 Ala H . 26916 1 331 . 1 1 73 73 ALA C C 13 180.294 0.2 . 1 . . . . 73 Ala C . 26916 1 332 . 1 1 73 73 ALA CA C 13 55.697 0.2 . 1 . . . . 73 Ala CA . 26916 1 333 . 1 1 73 73 ALA CB C 13 18.319 0.2 . 1 . . . . 73 Ala CB . 26916 1 334 . 1 1 73 73 ALA N N 15 120.203 0.25 . 1 . . . . 73 Ala N . 26916 1 335 . 1 1 74 74 GLY H H 1 7.845 0.03 . 1 . . . . 74 Gly H . 26916 1 336 . 1 1 74 74 GLY C C 13 175.356 0.2 . 1 . . . . 74 Gly C . 26916 1 337 . 1 1 74 74 GLY CA C 13 46.66 0.2 . 1 . . . . 74 Gly CA . 26916 1 338 . 1 1 74 74 GLY N N 15 105.731 0.25 . 1 . . . . 74 Gly N . 26916 1 339 . 1 1 75 75 CYS H H 1 8.54 0.03 . 1 . . . . 75 Cys H . 26916 1 340 . 1 1 75 75 CYS C C 13 175.898 0.2 . 1 . . . . 75 Cys C . 26916 1 341 . 1 1 75 75 CYS CA C 13 57.711 0.2 . 1 . . . . 75 Cys CA . 26916 1 342 . 1 1 75 75 CYS CB C 13 39.45 0.2 . 1 . . . . 75 Cys CB . 26916 1 343 . 1 1 75 75 CYS N N 15 120.672 0.25 . 1 . . . . 75 Cys N . 26916 1 344 . 1 1 76 76 LEU H H 1 8.839 0.03 . 1 . . . . 76 Leu H . 26916 1 345 . 1 1 76 76 LEU C C 13 178.413 0.2 . 1 . . . . 76 Leu C . 26916 1 346 . 1 1 76 76 LEU CA C 13 58.234 0.2 . 1 . . . . 76 Leu CA . 26916 1 347 . 1 1 76 76 LEU CB C 13 40.961 0.2 . 1 . . . . 76 Leu CB . 26916 1 348 . 1 1 76 76 LEU N N 15 118.047 0.25 . 1 . . . . 76 Leu N . 26916 1 349 . 1 1 77 77 SER H H 1 8.017 0.03 . 1 . . . . 77 Ser H . 26916 1 350 . 1 1 77 77 SER C C 13 177.151 0.2 . 1 . . . . 77 Ser C . 26916 1 351 . 1 1 77 77 SER CA C 13 61.857 0.2 . 1 . . . . 77 Ser CA . 26916 1 352 . 1 1 77 77 SER CB C 13 63.209 0.2 . 1 . . . . 77 Ser CB . 26916 1 353 . 1 1 77 77 SER N N 15 112.09 0.25 . 1 . . . . 77 Ser N . 26916 1 354 . 1 1 78 78 GLN H H 1 8.182 0.03 . 1 . . . . 78 Gln H . 26916 1 355 . 1 1 78 78 GLN C C 13 180.526 0.2 . 1 . . . . 78 Gln C . 26916 1 356 . 1 1 78 78 GLN CA C 13 59.227 0.2 . 1 . . . . 78 Gln CA . 26916 1 357 . 1 1 78 78 GLN CB C 13 28.992 0.2 . 1 . . . . 78 Gln CB . 26916 1 358 . 1 1 78 78 GLN N N 15 122.526 0.25 . 1 . . . . 78 Gln N . 26916 1 359 . 1 1 79 79 LEU H H 1 9.221 0.03 . 1 . . . . 79 Leu H . 26916 1 360 . 1 1 79 79 LEU C C 13 178.231 0.2 . 1 . . . . 79 Leu C . 26916 1 361 . 1 1 79 79 LEU CA C 13 58.11 0.2 . 1 . . . . 79 Leu CA . 26916 1 362 . 1 1 79 79 LEU CB C 13 42.62 0.2 . 1 . . . . 79 Leu CB . 26916 1 363 . 1 1 79 79 LEU N N 15 123.967 0.25 . 1 . . . . 79 Leu N . 26916 1 364 . 1 1 80 80 HIS H H 1 8.941 0.03 . 1 . . . . 80 His H . 26916 1 365 . 1 1 80 80 HIS C C 13 175.689 0.2 . 1 . . . . 80 His C . 26916 1 366 . 1 1 80 80 HIS CA C 13 61.92 0.2 . 1 . . . . 80 His CA . 26916 1 367 . 1 1 80 80 HIS CB C 13 29.289 0.2 . 1 . . . . 80 His CB . 26916 1 368 . 1 1 80 80 HIS N N 15 117.102 0.25 . 1 . . . . 80 His N . 26916 1 369 . 1 1 81 81 SER H H 1 9.119 0.03 . 1 . . . . 81 Ser H . 26916 1 370 . 1 1 81 81 SER C C 13 177.205 0.2 . 1 . . . . 81 Ser C . 26916 1 371 . 1 1 81 81 SER CA C 13 61.727 0.2 . 1 . . . . 81 Ser CA . 26916 1 372 . 1 1 81 81 SER CB C 13 62.974 0.2 . 1 . . . . 81 Ser CB . 26916 1 373 . 1 1 81 81 SER N N 15 114.016 0.25 . 1 . . . . 81 Ser N . 26916 1 374 . 1 1 82 82 GLY H H 1 8.678 0.03 . 1 . . . . 82 Gly H . 26916 1 375 . 1 1 82 82 GLY C C 13 174.107 0.2 . 1 . . . . 82 Gly C . 26916 1 376 . 1 1 82 82 GLY CA C 13 47.219 0.2 . 1 . . . . 82 Gly CA . 26916 1 377 . 1 1 82 82 GLY N N 15 111.14 0.25 . 1 . . . . 82 Gly N . 26916 1 378 . 1 1 83 83 LEU H H 1 8.092 0.03 . 1 . . . . 83 Leu H . 26916 1 379 . 1 1 83 83 LEU C C 13 178.118 0.2 . 1 . . . . 83 Leu C . 26916 1 380 . 1 1 83 83 LEU CA C 13 57.911 0.2 . 1 . . . . 83 Leu CA . 26916 1 381 . 1 1 83 83 LEU CB C 13 42.336 0.2 . 1 . . . . 83 Leu CB . 26916 1 382 . 1 1 83 83 LEU N N 15 121.86 0.25 . 1 . . . . 83 Leu N . 26916 1 383 . 1 1 84 84 LEU H H 1 7.553 0.03 . 1 . . . . 84 Leu H . 26916 1 384 . 1 1 84 84 LEU C C 13 180.044 0.2 . 1 . . . . 84 Leu C . 26916 1 385 . 1 1 84 84 LEU CA C 13 57.478 0.2 . 1 . . . . 84 Leu CA . 26916 1 386 . 1 1 84 84 LEU CB C 13 41.267 0.2 . 1 . . . . 84 Leu CB . 26916 1 387 . 1 1 84 84 LEU N N 15 118.53 0.25 . 1 . . . . 84 Leu N . 26916 1 388 . 1 1 85 85 LEU H H 1 7.876 0.03 . 1 . . . . 85 Leu H . 26916 1 389 . 1 1 85 85 LEU C C 13 178.774 0.2 . 1 . . . . 85 Leu C . 26916 1 390 . 1 1 85 85 LEU CA C 13 57.782 0.2 . 1 . . . . 85 Leu CA . 26916 1 391 . 1 1 85 85 LEU CB C 13 41.111 0.2 . 1 . . . . 85 Leu CB . 26916 1 392 . 1 1 85 85 LEU N N 15 123.742 0.25 . 1 . . . . 85 Leu N . 26916 1 393 . 1 1 86 86 TYR H H 1 8.123 0.03 . 1 . . . . 86 Tyr H . 26916 1 394 . 1 1 86 86 TYR C C 13 177.448 0.2 . 1 . . . . 86 Tyr C . 26916 1 395 . 1 1 86 86 TYR CA C 13 63.876 0.2 . 1 . . . . 86 Tyr CA . 26916 1 396 . 1 1 86 86 TYR CB C 13 38.01 0.2 . 1 . . . . 86 Tyr CB . 26916 1 397 . 1 1 86 86 TYR N N 15 116.889 0.25 . 1 . . . . 86 Tyr N . 26916 1 398 . 1 1 87 87 GLN H H 1 8.919 0.03 . 1 . . . . 87 Gln H . 26916 1 399 . 1 1 87 87 GLN C C 13 178.167 0.2 . 1 . . . . 87 Gln C . 26916 1 400 . 1 1 87 87 GLN CA C 13 60.039 0.2 . 1 . . . . 87 Gln CA . 26916 1 401 . 1 1 87 87 GLN CB C 13 29.557 0.2 . 1 . . . . 87 Gln CB . 26916 1 402 . 1 1 87 87 GLN N N 15 120.589 0.25 . 1 . . . . 87 Gln N . 26916 1 403 . 1 1 88 88 GLY H H 1 7.954 0.03 . 1 . . . . 88 Gly H . 26916 1 404 . 1 1 88 88 GLY C C 13 176.693 0.2 . 1 . . . . 88 Gly C . 26916 1 405 . 1 1 88 88 GLY CA C 13 46.95 0.2 . 1 . . . . 88 Gly CA . 26916 1 406 . 1 1 88 88 GLY N N 15 106.507 0.25 . 1 . . . . 88 Gly N . 26916 1 407 . 1 1 89 89 LEU H H 1 8.533 0.03 . 1 . . . . 89 Leu H . 26916 1 408 . 1 1 89 89 LEU C C 13 177.68 0.2 . 1 . . . . 89 Leu C . 26916 1 409 . 1 1 89 89 LEU CA C 13 57.503 0.2 . 1 . . . . 89 Leu CA . 26916 1 410 . 1 1 89 89 LEU CB C 13 43.653 0.2 . 1 . . . . 89 Leu CB . 26916 1 411 . 1 1 89 89 LEU N N 15 124.075 0.25 . 1 . . . . 89 Leu N . 26916 1 412 . 1 1 90 90 LEU H H 1 8.511 0.03 . 1 . . . . 90 Leu H . 26916 1 413 . 1 1 90 90 LEU C C 13 179.945 0.2 . 1 . . . . 90 Leu C . 26916 1 414 . 1 1 90 90 LEU CA C 13 57.312 0.2 . 1 . . . . 90 Leu CA . 26916 1 415 . 1 1 90 90 LEU CB C 13 42.262 0.2 . 1 . . . . 90 Leu CB . 26916 1 416 . 1 1 90 90 LEU N N 15 116.079 0.25 . 1 . . . . 90 Leu N . 26916 1 417 . 1 1 91 91 GLN H H 1 8.119 0.03 . 1 . . . . 91 Gln H . 26916 1 418 . 1 1 91 91 GLN C C 13 178.611 0.2 . 1 . . . . 91 Gln C . 26916 1 419 . 1 1 91 91 GLN CA C 13 58.659 0.2 . 1 . . . . 91 Gln CA . 26916 1 420 . 1 1 91 91 GLN CB C 13 28.756 0.2 . 1 . . . . 91 Gln CB . 26916 1 421 . 1 1 91 91 GLN N N 15 119.747 0.25 . 1 . . . . 91 Gln N . 26916 1 422 . 1 1 92 92 ALA H H 1 7.88 0.03 . 1 . . . . 92 Ala H . 26916 1 423 . 1 1 92 92 ALA C C 13 177.637 0.2 . 1 . . . . 92 Ala C . 26916 1 424 . 1 1 92 92 ALA CA C 13 53.608 0.2 . 1 . . . . 92 Ala CA . 26916 1 425 . 1 1 92 92 ALA CB C 13 18.417 0.2 . 1 . . . . 92 Ala CB . 26916 1 426 . 1 1 92 92 ALA N N 15 121.652 0.25 . 1 . . . . 92 Ala N . 26916 1 427 . 1 1 93 93 LEU H H 1 7.332 0.03 . 1 . . . . 93 Leu H . 26916 1 428 . 1 1 93 93 LEU C C 13 176.383 0.2 . 1 . . . . 93 Leu C . 26916 1 429 . 1 1 93 93 LEU CA C 13 55.268 0.2 . 1 . . . . 93 Leu CA . 26916 1 430 . 1 1 93 93 LEU CB C 13 41.596 0.2 . 1 . . . . 93 Leu CB . 26916 1 431 . 1 1 93 93 LEU N N 15 116.063 0.25 . 1 . . . . 93 Leu N . 26916 1 432 . 1 1 94 94 GLU H H 1 7.932 0.03 . 1 . . . . 94 Glu H . 26916 1 433 . 1 1 94 94 GLU C C 13 176.317 0.2 . 1 . . . . 94 Glu C . 26916 1 434 . 1 1 94 94 GLU CA C 13 56.046 0.2 . 1 . . . . 94 Glu CA . 26916 1 435 . 1 1 94 94 GLU CB C 13 27.084 0.2 . 1 . . . . 94 Glu CB . 26916 1 436 . 1 1 94 94 GLU N N 15 115.615 0.25 . 1 . . . . 94 Glu N . 26916 1 437 . 1 1 95 95 GLY H H 1 9.018 0.03 . 1 . . . . 95 Gly H . 26916 1 438 . 1 1 95 95 GLY C C 13 173.433 0.2 . 1 . . . . 95 Gly C . 26916 1 439 . 1 1 95 95 GLY CA C 13 45.88 0.2 . 1 . . . . 95 Gly CA . 26916 1 440 . 1 1 95 95 GLY N N 15 107.554 0.25 . 1 . . . . 95 Gly N . 26916 1 441 . 1 1 96 96 ILE H H 1 7.628 0.03 . 1 . . . . 96 Ile H . 26916 1 442 . 1 1 96 96 ILE N N 15 111.268 0.25 . 1 . . . . 96 Ile N . 26916 1 443 . 1 1 98 98 PRO C C 13 178.663 0.2 . 1 . . . . 98 Pro C . 26916 1 444 . 1 1 98 98 PRO CA C 13 65.297 0.2 . 1 . . . . 98 Pro CA . 26916 1 445 . 1 1 98 98 PRO CB C 13 32.131 0.2 . 1 . . . . 98 Pro CB . 26916 1 446 . 1 1 99 99 GLU H H 1 8.949 0.03 . 1 . . . . 99 Glu H . 26916 1 447 . 1 1 99 99 GLU C C 13 177.129 0.2 . 1 . . . . 99 Glu C . 26916 1 448 . 1 1 99 99 GLU CA C 13 58.289 0.2 . 1 . . . . 99 Glu CA . 26916 1 449 . 1 1 99 99 GLU CB C 13 28.966 0.2 . 1 . . . . 99 Glu CB . 26916 1 450 . 1 1 99 99 GLU N N 15 115.488 0.25 . 1 . . . . 99 Glu N . 26916 1 451 . 1 1 100 100 LEU H H 1 7.797 0.03 . 1 . . . . 100 Leu H . 26916 1 452 . 1 1 100 100 LEU C C 13 176.666 0.2 . 1 . . . . 100 Leu C . 26916 1 453 . 1 1 100 100 LEU CA C 13 53.991 0.2 . 1 . . . . 100 Leu CA . 26916 1 454 . 1 1 100 100 LEU CB C 13 43.191 0.2 . 1 . . . . 100 Leu CB . 26916 1 455 . 1 1 100 100 LEU N N 15 121.075 0.25 . 1 . . . . 100 Leu N . 26916 1 456 . 1 1 101 101 GLY H H 1 7.895 0.03 . 1 . . . . 101 Gly H . 26916 1 457 . 1 1 101 101 GLY CA C 13 48.926 0.2 . 1 . . . . 101 Gly CA . 26916 1 458 . 1 1 101 101 GLY N N 15 108.323 0.25 . 1 . . . . 101 Gly N . 26916 1 459 . 1 1 102 102 PRO C C 13 178.878 0.2 . 1 . . . . 102 Pro C . 26916 1 460 . 1 1 102 102 PRO CA C 13 65.382 0.2 . 1 . . . . 102 Pro CA . 26916 1 461 . 1 1 102 102 PRO CB C 13 32.466 0.2 . 1 . . . . 102 Pro CB . 26916 1 462 . 1 1 103 103 THR H H 1 7.557 0.03 . 1 . . . . 103 Thr H . 26916 1 463 . 1 1 103 103 THR C C 13 176.63 0.2 . 1 . . . . 103 Thr C . 26916 1 464 . 1 1 103 103 THR CA C 13 66.187 0.2 . 1 . . . . 103 Thr CA . 26916 1 465 . 1 1 103 103 THR CB C 13 67.547 0.2 . 1 . . . . 103 Thr CB . 26916 1 466 . 1 1 103 103 THR N N 15 114.641 0.25 . 1 . . . . 103 Thr N . 26916 1 467 . 1 1 104 104 LEU H H 1 8.237 0.03 . 1 . . . . 104 Leu H . 26916 1 468 . 1 1 104 104 LEU C C 13 178.085 0.2 . 1 . . . . 104 Leu C . 26916 1 469 . 1 1 104 104 LEU CA C 13 57.522 0.2 . 1 . . . . 104 Leu CA . 26916 1 470 . 1 1 104 104 LEU CB C 13 41.675 0.2 . 1 . . . . 104 Leu CB . 26916 1 471 . 1 1 104 104 LEU N N 15 124.824 0.25 . 1 . . . . 104 Leu N . 26916 1 472 . 1 1 105 105 ASP H H 1 9.026 0.03 . 1 . . . . 105 Asp H . 26916 1 473 . 1 1 105 105 ASP C C 13 177.909 0.2 . 1 . . . . 105 Asp C . 26916 1 474 . 1 1 105 105 ASP CA C 13 56.628 0.2 . 1 . . . . 105 Asp CA . 26916 1 475 . 1 1 105 105 ASP CB C 13 39.391 0.2 . 1 . . . . 105 Asp CB . 26916 1 476 . 1 1 105 105 ASP N N 15 120.832 0.25 . 1 . . . . 105 Asp N . 26916 1 477 . 1 1 106 106 THR H H 1 7.959 0.03 . 1 . . . . 106 Thr H . 26916 1 478 . 1 1 106 106 THR C C 13 174.514 0.2 . 1 . . . . 106 Thr C . 26916 1 479 . 1 1 106 106 THR CA C 13 66.421 0.2 . 1 . . . . 106 Thr CA . 26916 1 480 . 1 1 106 106 THR N N 15 117.352 0.25 . 1 . . . . 106 Thr N . 26916 1 481 . 1 1 107 107 LEU H H 1 7.343 0.03 . 1 . . . . 107 Leu H . 26916 1 482 . 1 1 107 107 LEU C C 13 177.462 0.2 . 1 . . . . 107 Leu C . 26916 1 483 . 1 1 107 107 LEU CA C 13 57.473 0.2 . 1 . . . . 107 Leu CA . 26916 1 484 . 1 1 107 107 LEU CB C 13 42.826 0.2 . 1 . . . . 107 Leu CB . 26916 1 485 . 1 1 107 107 LEU N N 15 120.695 0.25 . 1 . . . . 107 Leu N . 26916 1 486 . 1 1 108 108 GLN H H 1 8.621 0.03 . 1 . . . . 108 Gln H . 26916 1 487 . 1 1 108 108 GLN C C 13 177.951 0.2 . 1 . . . . 108 Gln C . 26916 1 488 . 1 1 108 108 GLN CA C 13 60.004 0.2 . 1 . . . . 108 Gln CA . 26916 1 489 . 1 1 108 108 GLN CB C 13 29.964 0.2 . 1 . . . . 108 Gln CB . 26916 1 490 . 1 1 108 108 GLN N N 15 116.75 0.25 . 1 . . . . 108 Gln N . 26916 1 491 . 1 1 109 109 LEU H H 1 8.113 0.03 . 1 . . . . 109 Leu H . 26916 1 492 . 1 1 109 109 LEU C C 13 178.862 0.2 . 1 . . . . 109 Leu C . 26916 1 493 . 1 1 109 109 LEU CA C 13 57.726 0.2 . 1 . . . . 109 Leu CA . 26916 1 494 . 1 1 109 109 LEU CB C 13 42.152 0.2 . 1 . . . . 109 Leu CB . 26916 1 495 . 1 1 109 109 LEU N N 15 121.483 0.25 . 1 . . . . 109 Leu N . 26916 1 496 . 1 1 110 110 ASP H H 1 8.406 0.03 . 1 . . . . 110 Asp H . 26916 1 497 . 1 1 110 110 ASP C C 13 179.602 0.2 . 1 . . . . 110 Asp C . 26916 1 498 . 1 1 110 110 ASP CA C 13 56.614 0.2 . 1 . . . . 110 Asp CA . 26916 1 499 . 1 1 110 110 ASP CB C 13 39.381 0.2 . 1 . . . . 110 Asp CB . 26916 1 500 . 1 1 110 110 ASP N N 15 119.713 0.25 . 1 . . . . 110 Asp N . 26916 1 501 . 1 1 111 111 VAL H H 1 8.581 0.03 . 1 . . . . 111 Val H . 26916 1 502 . 1 1 111 111 VAL C C 13 176.624 0.2 . 1 . . . . 111 Val C . 26916 1 503 . 1 1 111 111 VAL CA C 13 67.064 0.2 . 1 . . . . 111 Val CA . 26916 1 504 . 1 1 111 111 VAL N N 15 122.578 0.25 . 1 . . . . 111 Val N . 26916 1 505 . 1 1 112 112 ALA H H 1 8.275 0.03 . 1 . . . . 112 Ala H . 26916 1 506 . 1 1 112 112 ALA C C 13 180.286 0.2 . 1 . . . . 112 Ala C . 26916 1 507 . 1 1 112 112 ALA CA C 13 54.967 0.2 . 1 . . . . 112 Ala CA . 26916 1 508 . 1 1 112 112 ALA CB C 13 18.8 0.2 . 1 . . . . 112 Ala CB . 26916 1 509 . 1 1 112 112 ALA N N 15 122.908 0.25 . 1 . . . . 112 Ala N . 26916 1 510 . 1 1 113 113 ASP H H 1 8.618 0.03 . 1 . . . . 113 Asp H . 26916 1 511 . 1 1 113 113 ASP C C 13 178.241 0.2 . 1 . . . . 113 Asp C . 26916 1 512 . 1 1 113 113 ASP CA C 13 56.376 0.2 . 1 . . . . 113 Asp CA . 26916 1 513 . 1 1 113 113 ASP CB C 13 40.221 0.2 . 1 . . . . 113 Asp CB . 26916 1 514 . 1 1 113 113 ASP N N 15 117.99 0.25 . 1 . . . . 113 Asp N . 26916 1 515 . 1 1 114 114 PHE H H 1 7.942 0.03 . 1 . . . . 114 Phe H . 26916 1 516 . 1 1 114 114 PHE C C 13 176.921 0.2 . 1 . . . . 114 Phe C . 26916 1 517 . 1 1 114 114 PHE CA C 13 56.834 0.2 . 1 . . . . 114 Phe CA . 26916 1 518 . 1 1 114 114 PHE CB C 13 40.252 0.2 . 1 . . . . 114 Phe CB . 26916 1 519 . 1 1 114 114 PHE N N 15 121.389 0.25 . 1 . . . . 114 Phe N . 26916 1 520 . 1 1 115 115 ALA H H 1 8.82 0.03 . 1 . . . . 115 Ala H . 26916 1 521 . 1 1 115 115 ALA C C 13 179.78 0.2 . 1 . . . . 115 Ala C . 26916 1 522 . 1 1 115 115 ALA CA C 13 55.827 0.2 . 1 . . . . 115 Ala CA . 26916 1 523 . 1 1 115 115 ALA CB C 13 17.796 0.2 . 1 . . . . 115 Ala CB . 26916 1 524 . 1 1 115 115 ALA N N 15 121.772 0.25 . 1 . . . . 115 Ala N . 26916 1 525 . 1 1 116 116 THR H H 1 8.586 0.03 . 1 . . . . 116 Thr H . 26916 1 526 . 1 1 116 116 THR C C 13 175.656 0.2 . 1 . . . . 116 Thr C . 26916 1 527 . 1 1 116 116 THR CA C 13 66.413 0.2 . 1 . . . . 116 Thr CA . 26916 1 528 . 1 1 116 116 THR CB C 13 67.889 0.2 . 1 . . . . 116 Thr CB . 26916 1 529 . 1 1 116 116 THR N N 15 116.238 0.25 . 1 . . . . 116 Thr N . 26916 1 530 . 1 1 117 117 THR H H 1 8.349 0.03 . 1 . . . . 117 Thr H . 26916 1 531 . 1 1 117 117 THR C C 13 177.05 0.2 . 1 . . . . 117 Thr C . 26916 1 532 . 1 1 117 117 THR CA C 13 66.493 0.2 . 1 . . . . 117 Thr CA . 26916 1 533 . 1 1 117 117 THR N N 15 121.1 0.25 . 1 . . . . 117 Thr N . 26916 1 534 . 1 1 118 118 ILE H H 1 8.355 0.03 . 1 . . . . 118 Ile H . 26916 1 535 . 1 1 118 118 ILE C C 13 176.741 0.2 . 1 . . . . 118 Ile C . 26916 1 536 . 1 1 118 118 ILE CA C 13 64.684 0.2 . 1 . . . . 118 Ile CA . 26916 1 537 . 1 1 118 118 ILE N N 15 120.975 0.25 . 1 . . . . 118 Ile N . 26916 1 538 . 1 1 119 119 TRP H H 1 8.697 0.03 . 1 . . . . 119 Trp H . 26916 1 539 . 1 1 119 119 TRP C C 13 177.058 0.2 . 1 . . . . 119 Trp C . 26916 1 540 . 1 1 119 119 TRP CA C 13 60.106 0.2 . 1 . . . . 119 Trp CA . 26916 1 541 . 1 1 119 119 TRP CB C 13 30.229 0.2 . 1 . . . . 119 Trp CB . 26916 1 542 . 1 1 119 119 TRP N N 15 121.858 0.25 . 1 . . . . 119 Trp N . 26916 1 543 . 1 1 120 120 GLN H H 1 8.803 0.03 . 1 . . . . 120 Gln H . 26916 1 544 . 1 1 120 120 GLN C C 13 178.447 0.2 . 1 . . . . 120 Gln C . 26916 1 545 . 1 1 120 120 GLN CA C 13 58.463 0.2 . 1 . . . . 120 Gln CA . 26916 1 546 . 1 1 120 120 GLN CB C 13 28.676 0.2 . 1 . . . . 120 Gln CB . 26916 1 547 . 1 1 120 120 GLN N N 15 116.435 0.25 . 1 . . . . 120 Gln N . 26916 1 548 . 1 1 121 121 GLN H H 1 7.628 0.03 . 1 . . . . 121 Gln H . 26916 1 549 . 1 1 121 121 GLN C C 13 178.1 0.2 . 1 . . . . 121 Gln C . 26916 1 550 . 1 1 121 121 GLN CA C 13 57.308 0.2 . 1 . . . . 121 Gln CA . 26916 1 551 . 1 1 121 121 GLN CB C 13 29.562 0.2 . 1 . . . . 121 Gln CB . 26916 1 552 . 1 1 121 121 GLN N N 15 119.169 0.25 . 1 . . . . 121 Gln N . 26916 1 553 . 1 1 122 122 MET H H 1 8.274 0.03 . 1 . . . . 122 Met H . 26916 1 554 . 1 1 122 122 MET C C 13 178.027 0.2 . 1 . . . . 122 Met C . 26916 1 555 . 1 1 122 122 MET CA C 13 59.635 0.2 . 1 . . . . 122 Met CA . 26916 1 556 . 1 1 122 122 MET CB C 13 33.443 0.2 . 1 . . . . 122 Met CB . 26916 1 557 . 1 1 122 122 MET N N 15 118.623 0.25 . 1 . . . . 122 Met N . 26916 1 558 . 1 1 123 123 GLU H H 1 8.221 0.03 . 1 . . . . 123 Glu H . 26916 1 559 . 1 1 123 123 GLU C C 13 179.859 0.2 . 1 . . . . 123 Glu C . 26916 1 560 . 1 1 123 123 GLU CA C 13 58.298 0.2 . 1 . . . . 123 Glu CA . 26916 1 561 . 1 1 123 123 GLU CB C 13 28.592 0.2 . 1 . . . . 123 Glu CB . 26916 1 562 . 1 1 123 123 GLU N N 15 118.586 0.25 . 1 . . . . 123 Glu N . 26916 1 563 . 1 1 124 124 GLU H H 1 7.942 0.03 . 1 . . . . 124 Glu H . 26916 1 564 . 1 1 124 124 GLU C C 13 177.359 0.2 . 1 . . . . 124 Glu C . 26916 1 565 . 1 1 124 124 GLU CA C 13 58.23 0.2 . 1 . . . . 124 Glu CA . 26916 1 566 . 1 1 124 124 GLU CB C 13 28.609 0.2 . 1 . . . . 124 Glu CB . 26916 1 567 . 1 1 124 124 GLU N N 15 120.621 0.25 . 1 . . . . 124 Glu N . 26916 1 568 . 1 1 125 125 LEU H H 1 7.386 0.03 . 1 . . . . 125 Leu H . 26916 1 569 . 1 1 125 125 LEU C C 13 176.634 0.2 . 1 . . . . 125 Leu C . 26916 1 570 . 1 1 125 125 LEU CA C 13 54.09 0.2 . 1 . . . . 125 Leu CA . 26916 1 571 . 1 1 125 125 LEU CB C 13 42.881 0.2 . 1 . . . . 125 Leu CB . 26916 1 572 . 1 1 125 125 LEU N N 15 116.508 0.25 . 1 . . . . 125 Leu N . 26916 1 573 . 1 1 126 126 GLY H H 1 7.741 0.03 . 1 . . . . 126 Gly H . 26916 1 574 . 1 1 126 126 GLY C C 13 174.762 0.2 . 1 . . . . 126 Gly C . 26916 1 575 . 1 1 126 126 GLY CA C 13 46.017 0.2 . 1 . . . . 126 Gly CA . 26916 1 576 . 1 1 126 126 GLY N N 15 108.282 0.25 . 1 . . . . 126 Gly N . 26916 1 577 . 1 1 127 127 MET H H 1 7.941 0.03 . 1 . . . . 127 Met H . 26916 1 578 . 1 1 127 127 MET C C 13 173.923 0.2 . 1 . . . . 127 Met C . 26916 1 579 . 1 1 127 127 MET CA C 13 54.72 0.2 . 1 . . . . 127 Met CA . 26916 1 580 . 1 1 127 127 MET CB C 13 34.209 0.2 . 1 . . . . 127 Met CB . 26916 1 581 . 1 1 127 127 MET N N 15 116.846 0.25 . 1 . . . . 127 Met N . 26916 1 582 . 1 1 128 128 ALA H H 1 7.952 0.03 . 1 . . . . 128 Ala H . 26916 1 583 . 1 1 128 128 ALA C C 13 174.316 0.2 . 1 . . . . 128 Ala C . 26916 1 584 . 1 1 128 128 ALA CA C 13 49.787 0.2 . 1 . . . . 128 Ala CA . 26916 1 585 . 1 1 128 128 ALA N N 15 124.321 0.25 . 1 . . . . 128 Ala N . 26916 1 586 . 1 1 129 129 PRO C C 13 175.557 0.2 . 1 . . . . 129 Pro C . 26916 1 587 . 1 1 129 129 PRO CA C 13 62.003 0.2 . 1 . . . . 129 Pro CA . 26916 1 588 . 1 1 129 129 PRO CB C 13 32.423 0.2 . 1 . . . . 129 Pro CB . 26916 1 589 . 1 1 130 130 ALA H H 1 8.278 0.03 . 1 . . . . 130 Ala H . 26916 1 590 . 1 1 130 130 ALA C C 13 177.328 0.2 . 1 . . . . 130 Ala C . 26916 1 591 . 1 1 130 130 ALA CA C 13 52.149 0.2 . 1 . . . . 130 Ala CA . 26916 1 592 . 1 1 130 130 ALA CB C 13 19.712 0.2 . 1 . . . . 130 Ala CB . 26916 1 593 . 1 1 130 130 ALA N N 15 123.075 0.25 . 1 . . . . 130 Ala N . 26916 1 594 . 1 1 131 131 LEU H H 1 8.126 0.03 . 1 . . . . 131 Leu H . 26916 1 595 . 1 1 131 131 LEU C C 13 176.333 0.2 . 1 . . . . 131 Leu C . 26916 1 596 . 1 1 131 131 LEU CA C 13 54.284 0.2 . 1 . . . . 131 Leu CA . 26916 1 597 . 1 1 131 131 LEU CB C 13 43.243 0.2 . 1 . . . . 131 Leu CB . 26916 1 598 . 1 1 131 131 LEU N N 15 120.936 0.25 . 1 . . . . 131 Leu N . 26916 1 599 . 1 1 132 132 GLN H H 1 8.444 0.03 . 1 . . . . 132 Gln H . 26916 1 600 . 1 1 132 132 GLN C C 13 173.42 0.2 . 1 . . . . 132 Gln C . 26916 1 601 . 1 1 132 132 GLN CA C 13 52.925 0.2 . 1 . . . . 132 Gln CA . 26916 1 602 . 1 1 132 132 GLN N N 15 123.268 0.25 . 1 . . . . 132 Gln N . 26916 1 603 . 1 1 133 133 PRO C C 13 176.308 0.2 . 1 . . . . 133 Pro C . 26916 1 604 . 1 1 133 133 PRO CA C 13 62.405 0.2 . 1 . . . . 133 Pro CA . 26916 1 605 . 1 1 133 133 PRO CB C 13 32.593 0.2 . 1 . . . . 133 Pro CB . 26916 1 606 . 1 1 134 134 THR H H 1 8.257 0.03 . 1 . . . . 134 Thr H . 26916 1 607 . 1 1 134 134 THR C C 13 173.991 0.2 . 1 . . . . 134 Thr C . 26916 1 608 . 1 1 134 134 THR CA C 13 61.424 0.2 . 1 . . . . 134 Thr CA . 26916 1 609 . 1 1 134 134 THR CB C 13 70.397 0.2 . 1 . . . . 134 Thr CB . 26916 1 610 . 1 1 134 134 THR N N 15 115.593 0.25 . 1 . . . . 134 Thr N . 26916 1 611 . 1 1 135 135 GLN H H 1 8.546 0.03 . 1 . . . . 135 Gln H . 26916 1 612 . 1 1 135 135 GLN C C 13 175.648 0.2 . 1 . . . . 135 Gln C . 26916 1 613 . 1 1 135 135 GLN CA C 13 55.277 0.2 . 1 . . . . 135 Gln CA . 26916 1 614 . 1 1 135 135 GLN CB C 13 30.327 0.2 . 1 . . . . 135 Gln CB . 26916 1 615 . 1 1 135 135 GLN N N 15 123.961 0.25 . 1 . . . . 135 Gln N . 26916 1 616 . 1 1 136 136 GLY H H 1 8.305 0.03 . 1 . . . . 136 Gly H . 26916 1 617 . 1 1 136 136 GLY C C 13 172.355 0.2 . 1 . . . . 136 Gly C . 26916 1 618 . 1 1 136 136 GLY CA C 13 44.257 0.2 . 1 . . . . 136 Gly CA . 26916 1 619 . 1 1 136 136 GLY N N 15 110.5 0.25 . 1 . . . . 136 Gly N . 26916 1 620 . 1 1 137 137 ALA H H 1 8.146 0.03 . 1 . . . . 137 Ala H . 26916 1 621 . 1 1 137 137 ALA C C 13 177.239 0.2 . 1 . . . . 137 Ala C . 26916 1 622 . 1 1 137 137 ALA CA C 13 51.657 0.2 . 1 . . . . 137 Ala CA . 26916 1 623 . 1 1 137 137 ALA CB C 13 19.69 0.2 . 1 . . . . 137 Ala CB . 26916 1 624 . 1 1 137 137 ALA N N 15 123.22 0.25 . 1 . . . . 137 Ala N . 26916 1 625 . 1 1 138 138 MET H H 1 8.419 0.03 . 1 . . . . 138 Met H . 26916 1 626 . 1 1 138 138 MET C C 13 173.735 0.2 . 1 . . . . 138 Met C . 26916 1 627 . 1 1 138 138 MET CA C 13 51.75 0.2 . 1 . . . . 138 Met CA . 26916 1 628 . 1 1 138 138 MET N N 15 121.652 0.25 . 1 . . . . 138 Met N . 26916 1 629 . 1 1 139 139 PRO C C 13 173.827 0.2 . 1 . . . . 139 Pro C . 26916 1 630 . 1 1 139 139 PRO CA C 13 61.755 0.2 . 1 . . . . 139 Pro CA . 26916 1 631 . 1 1 139 139 PRO CB C 13 31.937 0.2 . 1 . . . . 139 Pro CB . 26916 1 632 . 1 1 140 140 ALA H H 1 7.939 0.03 . 1 . . . . 140 Ala H . 26916 1 633 . 1 1 140 140 ALA C C 13 176.295 0.2 . 1 . . . . 140 Ala C . 26916 1 634 . 1 1 140 140 ALA CA C 13 50.39 0.2 . 1 . . . . 140 Ala CA . 26916 1 635 . 1 1 140 140 ALA CB C 13 19.982 0.2 . 1 . . . . 140 Ala CB . 26916 1 636 . 1 1 140 140 ALA N N 15 122.463 0.25 . 1 . . . . 140 Ala N . 26916 1 637 . 1 1 141 141 PHE H H 1 8.428 0.03 . 1 . . . . 141 Phe H . 26916 1 638 . 1 1 141 141 PHE C C 13 175.088 0.2 . 1 . . . . 141 Phe C . 26916 1 639 . 1 1 141 141 PHE CA C 13 56.014 0.2 . 1 . . . . 141 Phe CA . 26916 1 640 . 1 1 141 141 PHE CB C 13 39.828 0.2 . 1 . . . . 141 Phe CB . 26916 1 641 . 1 1 141 141 PHE N N 15 120.443 0.25 . 1 . . . . 141 Phe N . 26916 1 642 . 1 1 142 142 ALA H H 1 8.28 0.03 . 1 . . . . 142 Ala H . 26916 1 643 . 1 1 142 142 ALA C C 13 176.898 0.2 . 1 . . . . 142 Ala C . 26916 1 644 . 1 1 142 142 ALA CA C 13 53.474 0.2 . 1 . . . . 142 Ala CA . 26916 1 645 . 1 1 142 142 ALA CB C 13 20.534 0.2 . 1 . . . . 142 Ala CB . 26916 1 646 . 1 1 142 142 ALA N N 15 125.034 0.25 . 1 . . . . 142 Ala N . 26916 1 647 . 1 1 143 143 SER H H 1 7.85 0.03 . 1 . . . . 143 Ser H . 26916 1 648 . 1 1 143 143 SER C C 13 173.896 0.2 . 1 . . . . 143 Ser C . 26916 1 649 . 1 1 143 143 SER CA C 13 55.558 0.2 . 1 . . . . 143 Ser CA . 26916 1 650 . 1 1 143 143 SER CB C 13 67.258 0.2 . 1 . . . . 143 Ser CB . 26916 1 651 . 1 1 143 143 SER N N 15 111.577 0.25 . 1 . . . . 143 Ser N . 26916 1 652 . 1 1 144 144 ALA H H 1 9.06 0.03 . 1 . . . . 144 Ala H . 26916 1 653 . 1 1 144 144 ALA C C 13 179.485 0.2 . 1 . . . . 144 Ala C . 26916 1 654 . 1 1 144 144 ALA CA C 13 55.42 0.2 . 1 . . . . 144 Ala CA . 26916 1 655 . 1 1 144 144 ALA CB C 13 18.098 0.2 . 1 . . . . 144 Ala CB . 26916 1 656 . 1 1 144 144 ALA N N 15 124.759 0.25 . 1 . . . . 144 Ala N . 26916 1 657 . 1 1 145 145 PHE H H 1 8.715 0.03 . 1 . . . . 145 Phe H . 26916 1 658 . 1 1 145 145 PHE C C 13 176.551 0.2 . 1 . . . . 145 Phe C . 26916 1 659 . 1 1 145 145 PHE CA C 13 61.348 0.2 . 1 . . . . 145 Phe CA . 26916 1 660 . 1 1 145 145 PHE CB C 13 39.342 0.2 . 1 . . . . 145 Phe CB . 26916 1 661 . 1 1 145 145 PHE N N 15 117.263 0.25 . 1 . . . . 145 Phe N . 26916 1 662 . 1 1 146 146 GLN H H 1 7.884 0.03 . 1 . . . . 146 Gln H . 26916 1 663 . 1 1 146 146 GLN C C 13 178.021 0.2 . 1 . . . . 146 Gln C . 26916 1 664 . 1 1 146 146 GLN CA C 13 59.31 0.2 . 1 . . . . 146 Gln CA . 26916 1 665 . 1 1 146 146 GLN CB C 13 29.002 0.2 . 1 . . . . 146 Gln CB . 26916 1 666 . 1 1 146 146 GLN N N 15 116.152 0.25 . 1 . . . . 146 Gln N . 26916 1 667 . 1 1 147 147 ARG H H 1 7.965 0.03 . 1 . . . . 147 Arg H . 26916 1 668 . 1 1 147 147 ARG C C 13 176.93 0.2 . 1 . . . . 147 Arg C . 26916 1 669 . 1 1 147 147 ARG CA C 13 59.288 0.2 . 1 . . . . 147 Arg CA . 26916 1 670 . 1 1 147 147 ARG CB C 13 31.042 0.2 . 1 . . . . 147 Arg CB . 26916 1 671 . 1 1 147 147 ARG N N 15 117.548 0.25 . 1 . . . . 147 Arg N . 26916 1 672 . 1 1 148 148 ARG H H 1 7.839 0.03 . 1 . . . . 148 Arg H . 26916 1 673 . 1 1 148 148 ARG C C 13 176.505 0.2 . 1 . . . . 148 Arg C . 26916 1 674 . 1 1 148 148 ARG CA C 13 59.112 0.2 . 1 . . . . 148 Arg CA . 26916 1 675 . 1 1 148 148 ARG CB C 13 30.821 0.2 . 1 . . . . 148 Arg CB . 26916 1 676 . 1 1 148 148 ARG N N 15 118.117 0.25 . 1 . . . . 148 Arg N . 26916 1 677 . 1 1 149 149 ALA H H 1 8.236 0.03 . 1 . . . . 149 Ala H . 26916 1 678 . 1 1 149 149 ALA C C 13 179.526 0.2 . 1 . . . . 149 Ala C . 26916 1 679 . 1 1 149 149 ALA CA C 13 54.191 0.2 . 1 . . . . 149 Ala CA . 26916 1 680 . 1 1 149 149 ALA CB C 13 19 0.2 . 1 . . . . 149 Ala CB . 26916 1 681 . 1 1 149 149 ALA N N 15 120.137 0.25 . 1 . . . . 149 Ala N . 26916 1 682 . 1 1 150 150 GLY H H 1 8.275 0.03 . 1 . . . . 150 Gly H . 26916 1 683 . 1 1 150 150 GLY C C 13 174.738 0.2 . 1 . . . . 150 Gly C . 26916 1 684 . 1 1 150 150 GLY CA C 13 46.762 0.2 . 1 . . . . 150 Gly CA . 26916 1 685 . 1 1 150 150 GLY N N 15 106.108 0.25 . 1 . . . . 150 Gly N . 26916 1 686 . 1 1 151 151 GLY H H 1 7.909 0.03 . 1 . . . . 151 Gly H . 26916 1 687 . 1 1 151 151 GLY C C 13 173.54 0.2 . 1 . . . . 151 Gly C . 26916 1 688 . 1 1 151 151 GLY CA C 13 47.619 0.2 . 1 . . . . 151 Gly CA . 26916 1 689 . 1 1 151 151 GLY N N 15 109.01 0.25 . 1 . . . . 151 Gly N . 26916 1 690 . 1 1 152 152 VAL H H 1 7.38 0.03 . 1 . . . . 152 Val H . 26916 1 691 . 1 1 152 152 VAL C C 13 178.472 0.2 . 1 . . . . 152 Val C . 26916 1 692 . 1 1 152 152 VAL CA C 13 66.005 0.2 . 1 . . . . 152 Val CA . 26916 1 693 . 1 1 152 152 VAL CB C 13 32.004 0.2 . 1 . . . . 152 Val CB . 26916 1 694 . 1 1 152 152 VAL N N 15 121.022 0.25 . 1 . . . . 152 Val N . 26916 1 695 . 1 1 153 153 LEU H H 1 7.942 0.03 . 1 . . . . 153 Leu H . 26916 1 696 . 1 1 153 153 LEU C C 13 178.522 0.2 . 1 . . . . 153 Leu C . 26916 1 697 . 1 1 153 153 LEU CA C 13 57.783 0.2 . 1 . . . . 153 Leu CA . 26916 1 698 . 1 1 153 153 LEU CB C 13 43.63 0.2 . 1 . . . . 153 Leu CB . 26916 1 699 . 1 1 153 153 LEU N N 15 120.328 0.25 . 1 . . . . 153 Leu N . 26916 1 700 . 1 1 154 154 VAL H H 1 9.212 0.03 . 1 . . . . 154 Val H . 26916 1 701 . 1 1 154 154 VAL C C 13 177.071 0.2 . 1 . . . . 154 Val C . 26916 1 702 . 1 1 154 154 VAL CA C 13 67.27 0.2 . 1 . . . . 154 Val CA . 26916 1 703 . 1 1 154 154 VAL CB C 13 32.133 0.2 . 1 . . . . 154 Val CB . 26916 1 704 . 1 1 154 154 VAL N N 15 119.333 0.25 . 1 . . . . 154 Val N . 26916 1 705 . 1 1 155 155 ALA H H 1 8.226 0.03 . 1 . . . . 155 Ala H . 26916 1 706 . 1 1 155 155 ALA C C 13 178.832 0.2 . 1 . . . . 155 Ala C . 26916 1 707 . 1 1 155 155 ALA CA C 13 55.45 0.2 . 1 . . . . 155 Ala CA . 26916 1 708 . 1 1 155 155 ALA CB C 13 17.906 0.2 . 1 . . . . 155 Ala CB . 26916 1 709 . 1 1 155 155 ALA N N 15 119.802 0.25 . 1 . . . . 155 Ala N . 26916 1 710 . 1 1 156 156 SER H H 1 8.093 0.03 . 1 . . . . 156 Ser H . 26916 1 711 . 1 1 156 156 SER C C 13 177.676 0.2 . 1 . . . . 156 Ser C . 26916 1 712 . 1 1 156 156 SER CA C 13 61.125 0.2 . 1 . . . . 156 Ser CA . 26916 1 713 . 1 1 156 156 SER CB C 13 62.839 0.2 . 1 . . . . 156 Ser CB . 26916 1 714 . 1 1 156 156 SER N N 15 112.809 0.25 . 1 . . . . 156 Ser N . 26916 1 715 . 1 1 157 157 HIS H H 1 8.552 0.03 . 1 . . . . 157 His H . 26916 1 716 . 1 1 157 157 HIS C C 13 177.227 0.2 . 1 . . . . 157 His C . 26916 1 717 . 1 1 157 157 HIS CA C 13 57.442 0.2 . 1 . . . . 157 His CA . 26916 1 718 . 1 1 157 157 HIS N N 15 120.865 0.25 . 1 . . . . 157 His N . 26916 1 719 . 1 1 158 158 LEU H H 1 8.852 0.03 . 1 . . . . 158 Leu H . 26916 1 720 . 1 1 158 158 LEU C C 13 177.549 0.2 . 1 . . . . 158 Leu C . 26916 1 721 . 1 1 158 158 LEU CA C 13 57.297 0.2 . 1 . . . . 158 Leu CA . 26916 1 722 . 1 1 158 158 LEU CB C 13 41.74 0.2 . 1 . . . . 158 Leu CB . 26916 1 723 . 1 1 158 158 LEU N N 15 122.733 0.25 . 1 . . . . 158 Leu N . 26916 1 724 . 1 1 159 159 GLN H H 1 8.236 0.03 . 1 . . . . 159 Gln H . 26916 1 725 . 1 1 159 159 GLN C C 13 179.234 0.2 . 1 . . . . 159 Gln C . 26916 1 726 . 1 1 159 159 GLN CA C 13 59.025 0.2 . 1 . . . . 159 Gln CA . 26916 1 727 . 1 1 159 159 GLN CB C 13 28.225 0.2 . 1 . . . . 159 Gln CB . 26916 1 728 . 1 1 159 159 GLN N N 15 118.167 0.25 . 1 . . . . 159 Gln N . 26916 1 729 . 1 1 160 160 SER H H 1 7.775 0.03 . 1 . . . . 160 Ser H . 26916 1 730 . 1 1 160 160 SER C C 13 176.059 0.2 . 1 . . . . 160 Ser C . 26916 1 731 . 1 1 160 160 SER CA C 13 61.728 0.2 . 1 . . . . 160 Ser CA . 26916 1 732 . 1 1 160 160 SER CB C 13 62.911 0.2 . 1 . . . . 160 Ser CB . 26916 1 733 . 1 1 160 160 SER N N 15 115.799 0.25 . 1 . . . . 160 Ser N . 26916 1 734 . 1 1 161 161 PHE H H 1 8.212 0.03 . 1 . . . . 161 Phe H . 26916 1 735 . 1 1 161 161 PHE C C 13 178.278 0.2 . 1 . . . . 161 Phe C . 26916 1 736 . 1 1 161 161 PHE CA C 13 60.862 0.2 . 1 . . . . 161 Phe CA . 26916 1 737 . 1 1 161 161 PHE CB C 13 39.986 0.2 . 1 . . . . 161 Phe CB . 26916 1 738 . 1 1 161 161 PHE N N 15 125 0.25 . 1 . . . . 161 Phe N . 26916 1 739 . 1 1 162 162 LEU H H 1 9.122 0.03 . 1 . . . . 162 Leu H . 26916 1 740 . 1 1 162 162 LEU C C 13 178.221 0.2 . 1 . . . . 162 Leu C . 26916 1 741 . 1 1 162 162 LEU CA C 13 56.51 0.2 . 1 . . . . 162 Leu CA . 26916 1 742 . 1 1 162 162 LEU CB C 13 41.913 0.2 . 1 . . . . 162 Leu CB . 26916 1 743 . 1 1 162 162 LEU N N 15 120.756 0.25 . 1 . . . . 162 Leu N . 26916 1 744 . 1 1 163 163 GLU H H 1 8.066 0.03 . 1 . . . . 163 Glu H . 26916 1 745 . 1 1 163 163 GLU C C 13 179.058 0.2 . 1 . . . . 163 Glu C . 26916 1 746 . 1 1 163 163 GLU CA C 13 59.115 0.2 . 1 . . . . 163 Glu CA . 26916 1 747 . 1 1 163 163 GLU CB C 13 29 0.2 . 1 . . . . 163 Glu CB . 26916 1 748 . 1 1 163 163 GLU N N 15 121.063 0.25 . 1 . . . . 163 Glu N . 26916 1 749 . 1 1 164 164 VAL H H 1 7.423 0.03 . 1 . . . . 164 Val H . 26916 1 750 . 1 1 164 164 VAL C C 13 177.694 0.2 . 1 . . . . 164 Val C . 26916 1 751 . 1 1 164 164 VAL CA C 13 66.172 0.2 . 1 . . . . 164 Val CA . 26916 1 752 . 1 1 164 164 VAL CB C 13 31.572 0.2 . 1 . . . . 164 Val CB . 26916 1 753 . 1 1 164 164 VAL N N 15 119.757 0.25 . 1 . . . . 164 Val N . 26916 1 754 . 1 1 165 165 SER H H 1 8.061 0.03 . 1 . . . . 165 Ser H . 26916 1 755 . 1 1 165 165 SER C C 13 174.42 0.2 . 1 . . . . 165 Ser C . 26916 1 756 . 1 1 165 165 SER CA C 13 62.895 0.2 . 1 . . . . 165 Ser CA . 26916 1 757 . 1 1 165 165 SER N N 15 115.459 0.25 . 1 . . . . 165 Ser N . 26916 1 758 . 1 1 166 166 TYR H H 1 8.736 0.03 . 1 . . . . 166 Tyr H . 26916 1 759 . 1 1 166 166 TYR C C 13 175.71 0.2 . 1 . . . . 166 Tyr C . 26916 1 760 . 1 1 166 166 TYR CA C 13 61.616 0.2 . 1 . . . . 166 Tyr CA . 26916 1 761 . 1 1 166 166 TYR CB C 13 38.935 0.2 . 1 . . . . 166 Tyr CB . 26916 1 762 . 1 1 166 166 TYR N N 15 121.354 0.25 . 1 . . . . 166 Tyr N . 26916 1 763 . 1 1 167 167 ARG H H 1 7.661 0.03 . 1 . . . . 167 Arg H . 26916 1 764 . 1 1 167 167 ARG C C 13 179.31 0.2 . 1 . . . . 167 Arg C . 26916 1 765 . 1 1 167 167 ARG CA C 13 59.398 0.2 . 1 . . . . 167 Arg CA . 26916 1 766 . 1 1 167 167 ARG CB C 13 30.465 0.2 . 1 . . . . 167 Arg CB . 26916 1 767 . 1 1 167 167 ARG N N 15 117.754 0.25 . 1 . . . . 167 Arg N . 26916 1 768 . 1 1 168 168 VAL H H 1 8.453 0.03 . 1 . . . . 168 Val H . 26916 1 769 . 1 1 168 168 VAL C C 13 177.607 0.2 . 1 . . . . 168 Val C . 26916 1 770 . 1 1 168 168 VAL CA C 13 65.851 0.2 . 1 . . . . 168 Val CA . 26916 1 771 . 1 1 168 168 VAL CB C 13 32.729 0.2 . 1 . . . . 168 Val CB . 26916 1 772 . 1 1 168 168 VAL N N 15 120.599 0.25 . 1 . . . . 168 Val N . 26916 1 773 . 1 1 169 169 LEU H H 1 8.114 0.03 . 1 . . . . 169 Leu H . 26916 1 774 . 1 1 169 169 LEU C C 13 178.466 0.2 . 1 . . . . 169 Leu C . 26916 1 775 . 1 1 169 169 LEU CA C 13 57.979 0.2 . 1 . . . . 169 Leu CA . 26916 1 776 . 1 1 169 169 LEU CB C 13 41.414 0.2 . 1 . . . . 169 Leu CB . 26916 1 777 . 1 1 169 169 LEU N N 15 118.637 0.25 . 1 . . . . 169 Leu N . 26916 1 778 . 1 1 170 170 ARG H H 1 8.583 0.03 . 1 . . . . 170 Arg H . 26916 1 779 . 1 1 170 170 ARG C C 13 178.333 0.2 . 1 . . . . 170 Arg C . 26916 1 780 . 1 1 170 170 ARG CA C 13 58.225 0.2 . 1 . . . . 170 Arg CA . 26916 1 781 . 1 1 170 170 ARG CB C 13 29.701 0.2 . 1 . . . . 170 Arg CB . 26916 1 782 . 1 1 170 170 ARG N N 15 117.455 0.25 . 1 . . . . 170 Arg N . 26916 1 783 . 1 1 171 171 HIS H H 1 7.946 0.03 . 1 . . . . 171 His H . 26916 1 784 . 1 1 171 171 HIS C C 13 176.152 0.2 . 1 . . . . 171 His C . 26916 1 785 . 1 1 171 171 HIS CA C 13 57.583 0.2 . 1 . . . . 171 His CA . 26916 1 786 . 1 1 171 171 HIS CB C 13 28.584 0.2 . 1 . . . . 171 His CB . 26916 1 787 . 1 1 171 171 HIS N N 15 117.021 0.25 . 1 . . . . 171 His N . 26916 1 788 . 1 1 172 172 LEU H H 1 7.794 0.03 . 1 . . . . 172 Leu H . 26916 1 789 . 1 1 172 172 LEU C C 13 176.969 0.2 . 1 . . . . 172 Leu C . 26916 1 790 . 1 1 172 172 LEU CA C 13 55.936 0.2 . 1 . . . . 172 Leu CA . 26916 1 791 . 1 1 172 172 LEU CB C 13 42.855 0.2 . 1 . . . . 172 Leu CB . 26916 1 792 . 1 1 172 172 LEU N N 15 117.919 0.25 . 1 . . . . 172 Leu N . 26916 1 793 . 1 1 173 173 ALA H H 1 7.713 0.03 . 1 . . . . 173 Ala H . 26916 1 794 . 1 1 173 173 ALA C C 13 176.778 0.2 . 1 . . . . 173 Ala C . 26916 1 795 . 1 1 173 173 ALA CA C 13 52.364 0.2 . 1 . . . . 173 Ala CA . 26916 1 796 . 1 1 173 173 ALA CB C 13 19.582 0.2 . 1 . . . . 173 Ala CB . 26916 1 797 . 1 1 173 173 ALA N N 15 120.551 0.25 . 1 . . . . 173 Ala N . 26916 1 798 . 1 1 174 174 GLN H H 1 7.753 0.03 . 1 . . . . 174 Gln H . 26916 1 799 . 1 1 174 174 GLN C C 13 171.783 0.2 . 1 . . . . 174 Gln C . 26916 1 800 . 1 1 174 174 GLN CA C 13 53.016 0.2 . 1 . . . . 174 Gln CA . 26916 1 801 . 1 1 174 174 GLN N N 15 118.903 0.25 . 1 . . . . 174 Gln N . 26916 1 stop_ save_ save_G-CSFC3_pH4_extra_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode G-CSFC3_pH4_extra_shift_list _Assigned_chem_shift_list.Entry_ID 26916 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $G-CSFC3_pH4_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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' . . . 26916 2 2 '3D CBCA(CO)NH' . . . 26916 2 3 '3D HNCA' . . . 26916 2 4 '3D HN(CO)CA' . . . 26916 2 5 '3D HNCO' . . . 26916 2 6 '3D HN(CA)CO' . . . 26916 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO C C 13 176.282 0.2 . 1 . . . . 3 Pro C . 26916 2 2 . 1 1 3 3 PRO CA C 13 62.707 0.2 . 1 . . . . 3 Pro CA . 26916 2 3 . 1 1 3 3 PRO CB C 13 32.589 0.2 . 1 . . . . 3 Pro CB . 26916 2 4 . 1 1 4 4 LEU H H 1 8.389 0.03 . 1 . . . . 4 Leu H . 26916 2 5 . 1 1 4 4 LEU C C 13 177.216 0.2 . 1 . . . . 4 Leu C . 26916 2 6 . 1 1 4 4 LEU CA C 13 54.726 0.2 . 1 . . . . 4 Leu CA . 26916 2 7 . 1 1 4 4 LEU CB C 13 43.055 0.2 . 1 . . . . 4 Leu CB . 26916 2 8 . 1 1 4 4 LEU N N 15 122.814 0.25 . 1 . . . . 4 Leu N . 26916 2 9 . 1 1 5 5 GLY H H 1 8.16 0.03 . 1 . . . . 5 Gly H . 26916 2 10 . 1 1 5 5 GLY CA C 13 43.972 0.2 . 1 . . . . 5 Gly CA . 26916 2 11 . 1 1 5 5 GLY N N 15 109.55 0.25 . 1 . . . . 5 Gly N . 26916 2 12 . 1 1 6 6 PRO C C 13 175.972 0.2 . 1 . . . . 6 Pro C . 26916 2 13 . 1 1 6 6 PRO CA C 13 61.949 0.2 . 1 . . . . 6 Pro CA . 26916 2 14 . 1 1 6 6 PRO CB C 13 35.219 0.2 . 1 . . . . 6 Pro CB . 26916 2 15 . 1 1 7 7 ALA H H 1 8.627 0.03 . 1 . . . . 7 Ala H . 26916 2 16 . 1 1 7 7 ALA C C 13 177.008 0.2 . 1 . . . . 7 Ala C . 26916 2 17 . 1 1 7 7 ALA CA C 13 52.295 0.2 . 1 . . . . 7 Ala CA . 26916 2 18 . 1 1 7 7 ALA CB C 13 19.757 0.2 . 1 . . . . 7 Ala CB . 26916 2 19 . 1 1 7 7 ALA N N 15 125.106 0.25 . 1 . . . . 7 Ala N . 26916 2 20 . 1 1 8 8 SER H H 1 8.386 0.03 . 1 . . . . 8 Ser H . 26916 2 21 . 1 1 8 8 SER C C 13 173.58 0.2 . 1 . . . . 8 Ser C . 26916 2 22 . 1 1 8 8 SER CA C 13 57.732 0.2 . 1 . . . . 8 Ser CA . 26916 2 23 . 1 1 8 8 SER CB C 13 64.592 0.2 . 1 . . . . 8 Ser CB . 26916 2 24 . 1 1 8 8 SER N N 15 114.588 0.25 . 1 . . . . 8 Ser N . 26916 2 25 . 1 1 9 9 SER H H 1 8.128 0.03 . 1 . . . . 9 Ser H . 26916 2 26 . 1 1 9 9 SER C C 13 173.205 0.2 . 1 . . . . 9 Ser C . 26916 2 27 . 1 1 9 9 SER CA C 13 57.469 0.2 . 1 . . . . 9 Ser CA . 26916 2 28 . 1 1 9 9 SER N N 15 116.701 0.25 . 1 . . . . 9 Ser N . 26916 2 stop_ save_ save_G-CSFC3_pH7_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode G-CSFC3_pH7_shift_list _Assigned_chem_shift_list.Entry_ID 26916 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $G-CSFC3_pH7_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 7 '2D 1H-15N HSQC' . . . 26916 3 8 '3D CBCA(CO)NH' . . . 26916 3 9 '3D HNCA' . . . 26916 3 10 '3D HN(CO)CA' . . . 26916 3 11 '3D HNCO' . . . 26916 3 12 '3D HN(CA)CO' . . . 26916 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO C C 13 176.286 0.2 . 1 . . . . 3 Pro C . 26916 3 2 . 1 1 3 3 PRO CA C 13 62.72 0.2 . 1 . . . . 3 Pro CA . 26916 3 3 . 1 1 3 3 PRO CB C 13 32.561 0.2 . 1 . . . . 3 Pro CB . 26916 3 4 . 1 1 4 4 LEU H H 1 8.34 0.03 . 1 . . . . 4 Leu H . 26916 3 5 . 1 1 4 4 LEU C C 13 177.197 0.2 . 1 . . . . 4 Leu C . 26916 3 6 . 1 1 4 4 LEU CA C 13 54.717 0.2 . 1 . . . . 4 Leu CA . 26916 3 7 . 1 1 4 4 LEU CB C 13 43.16 0.2 . 1 . . . . 4 Leu CB . 26916 3 8 . 1 1 4 4 LEU N N 15 122.404 0.25 . 1 . . . . 4 Leu N . 26916 3 9 . 1 1 5 5 GLY H H 1 8.208 0.03 . 1 . . . . 5 Gly H . 26916 3 10 . 1 1 5 5 GLY CA C 13 44.253 0.2 . 1 . . . . 5 Gly CA . 26916 3 11 . 1 1 5 5 GLY N N 15 109.663 0.25 . 1 . . . . 5 Gly N . 26916 3 12 . 1 1 6 6 PRO C C 13 176.617 0.2 . 1 . . . . 6 Pro C . 26916 3 13 . 1 1 6 6 PRO CA C 13 62.861 0.2 . 1 . . . . 6 Pro CA . 26916 3 14 . 1 1 6 6 PRO CB C 13 32.543 0.2 . 1 . . . . 6 Pro CB . 26916 3 15 . 1 1 7 7 ALA H H 1 8.457 0.03 . 1 . . . . 7 Ala H . 26916 3 16 . 1 1 7 7 ALA C C 13 177.238 0.2 . 1 . . . . 7 Ala C . 26916 3 17 . 1 1 7 7 ALA CA C 13 52.165 0.2 . 1 . . . . 7 Ala CA . 26916 3 18 . 1 1 7 7 ALA CB C 13 19.801 0.2 . 1 . . . . 7 Ala CB . 26916 3 19 . 1 1 7 7 ALA N N 15 123.661 0.25 . 1 . . . . 7 Ala N . 26916 3 20 . 1 1 8 8 SER H H 1 8.194 0.03 . 1 . . . . 8 Ser H . 26916 3 21 . 1 1 8 8 SER C C 13 173.603 0.2 . 1 . . . . 8 Ser C . 26916 3 22 . 1 1 8 8 SER CA C 13 58.049 0.2 . 1 . . . . 8 Ser CA . 26916 3 23 . 1 1 8 8 SER CB C 13 64.645 0.2 . 1 . . . . 8 Ser CB . 26916 3 24 . 1 1 8 8 SER N N 15 114.328 0.25 . 1 . . . . 8 Ser N . 26916 3 25 . 1 1 9 9 SER H H 1 8.092 0.03 . 1 . . . . 9 Ser H . 26916 3 26 . 1 1 9 9 SER C C 13 173.23 0.2 . 1 . . . . 9 Ser C . 26916 3 27 . 1 1 9 9 SER CA C 13 57.475 0.2 . 1 . . . . 9 Ser CA . 26916 3 28 . 1 1 9 9 SER CB C 13 64.829 0.2 . 1 . . . . 9 Ser CB . 26916 3 29 . 1 1 9 9 SER N N 15 116.54 0.25 . 1 . . . . 9 Ser N . 26916 3 30 . 1 1 10 10 LEU H H 1 8.341 0.03 . 1 . . . . 10 Leu H . 26916 3 31 . 1 1 10 10 LEU C C 13 173.855 0.2 . 1 . . . . 10 Leu C . 26916 3 32 . 1 1 10 10 LEU CA C 13 51.889 0.2 . 1 . . . . 10 Leu CA . 26916 3 33 . 1 1 10 10 LEU N N 15 122.682 0.25 . 1 . . . . 10 Leu N . 26916 3 34 . 1 1 11 11 PRO C C 13 177.472 0.2 . 1 . . . . 11 Pro C . 26916 3 35 . 1 1 11 11 PRO CA C 13 62.278 0.2 . 1 . . . . 11 Pro CA . 26916 3 36 . 1 1 12 12 GLN H H 1 8.953 0.03 . 1 . . . . 12 Gln H . 26916 3 37 . 1 1 12 12 GLN C C 13 177.331 0.2 . 1 . . . . 12 Gln C . 26916 3 38 . 1 1 12 12 GLN CA C 13 58.531 0.2 . 1 . . . . 12 Gln CA . 26916 3 39 . 1 1 12 12 GLN CB C 13 29.468 0.2 . 1 . . . . 12 Gln CB . 26916 3 40 . 1 1 12 12 GLN N N 15 124.068 0.25 . 1 . . . . 12 Gln N . 26916 3 41 . 1 1 13 13 SER H H 1 8.659 0.03 . 1 . . . . 13 Ser H . 26916 3 42 . 1 1 13 13 SER C C 13 176.495 0.2 . 1 . . . . 13 Ser C . 26916 3 43 . 1 1 13 13 SER CA C 13 60.386 0.2 . 1 . . . . 13 Ser CA . 26916 3 44 . 1 1 13 13 SER CB C 13 61.879 0.2 . 1 . . . . 13 Ser CB . 26916 3 45 . 1 1 13 13 SER N N 15 112.618 0.25 . 1 . . . . 13 Ser N . 26916 3 46 . 1 1 14 14 PHE H H 1 7.258 0.03 . 1 . . . . 14 Phe H . 26916 3 47 . 1 1 14 14 PHE C C 13 176.016 0.2 . 1 . . . . 14 Phe C . 26916 3 48 . 1 1 14 14 PHE CA C 13 59.779 0.2 . 1 . . . . 14 Phe CA . 26916 3 49 . 1 1 14 14 PHE N N 15 122.549 0.25 . 1 . . . . 14 Phe N . 26916 3 50 . 1 1 15 15 LEU H H 1 7.496 0.03 . 1 . . . . 15 Leu H . 26916 3 51 . 1 1 15 15 LEU C C 13 177.798 0.2 . 1 . . . . 15 Leu C . 26916 3 52 . 1 1 15 15 LEU CA C 13 57.355 0.2 . 1 . . . . 15 Leu CA . 26916 3 53 . 1 1 15 15 LEU N N 15 119.802 0.25 . 1 . . . . 15 Leu N . 26916 3 54 . 1 1 16 16 LEU H H 1 8.318 0.03 . 1 . . . . 16 Leu H . 26916 3 55 . 1 1 16 16 LEU C C 13 179.826 0.2 . 1 . . . . 16 Leu C . 26916 3 56 . 1 1 16 16 LEU CA C 13 57.448 0.2 . 1 . . . . 16 Leu CA . 26916 3 57 . 1 1 16 16 LEU N N 15 116.693 0.25 . 1 . . . . 16 Leu N . 26916 3 58 . 1 1 17 17 LYS H H 1 7.624 0.03 . 1 . . . . 17 Lys H . 26916 3 59 . 1 1 17 17 LYS C C 13 178.5 0.2 . 1 . . . . 17 Lys C . 26916 3 60 . 1 1 17 17 LYS CA C 13 58.458 0.2 . 1 . . . . 17 Lys CA . 26916 3 61 . 1 1 17 17 LYS N N 15 120.39 0.25 . 1 . . . . 17 Lys N . 26916 3 62 . 1 1 18 18 GLY H H 1 8.639 0.03 . 1 . . . . 18 Gly H . 26916 3 63 . 1 1 18 18 GLY C C 13 174.408 0.2 . 1 . . . . 18 Gly C . 26916 3 64 . 1 1 18 18 GLY CA C 13 46.663 0.2 . 1 . . . . 18 Gly CA . 26916 3 65 . 1 1 18 18 GLY N N 15 107.819 0.25 . 1 . . . . 18 Gly N . 26916 3 66 . 1 1 19 19 LEU H H 1 8.172 0.03 . 1 . . . . 19 Leu H . 26916 3 67 . 1 1 19 19 LEU C C 13 178.834 0.2 . 1 . . . . 19 Leu C . 26916 3 68 . 1 1 19 19 LEU CA C 13 58.204 0.2 . 1 . . . . 19 Leu CA . 26916 3 69 . 1 1 19 19 LEU N N 15 121.105 0.25 . 1 . . . . 19 Leu N . 26916 3 70 . 1 1 20 20 GLU H H 1 7.419 0.03 . 1 . . . . 20 Glu H . 26916 3 71 . 1 1 20 20 GLU C C 13 179.38 0.2 . 1 . . . . 20 Glu C . 26916 3 72 . 1 1 20 20 GLU CA C 13 58.661 0.2 . 1 . . . . 20 Glu CA . 26916 3 73 . 1 1 20 20 GLU N N 15 118.728 0.25 . 1 . . . . 20 Glu N . 26916 3 74 . 1 1 21 21 GLN H H 1 8.424 0.03 . 1 . . . . 21 Gln H . 26916 3 75 . 1 1 21 21 GLN C C 13 178.312 0.2 . 1 . . . . 21 Gln C . 26916 3 76 . 1 1 21 21 GLN CA C 13 58.882 0.2 . 1 . . . . 21 Gln CA . 26916 3 77 . 1 1 21 21 GLN N N 15 120.906 0.25 . 1 . . . . 21 Gln N . 26916 3 78 . 1 1 22 22 VAL H H 1 8.443 0.03 . 1 . . . . 22 Val H . 26916 3 79 . 1 1 22 22 VAL C C 13 177.132 0.2 . 1 . . . . 22 Val C . 26916 3 80 . 1 1 22 22 VAL CA C 13 66.96 0.2 . 1 . . . . 22 Val CA . 26916 3 81 . 1 1 22 22 VAL N N 15 119.754 0.25 . 1 . . . . 22 Val N . 26916 3 82 . 1 1 23 23 ARG H H 1 7.592 0.03 . 1 . . . . 23 Arg H . 26916 3 83 . 1 1 23 23 ARG C C 13 179.339 0.2 . 1 . . . . 23 Arg C . 26916 3 84 . 1 1 23 23 ARG CA C 13 58.271 0.2 . 1 . . . . 23 Arg CA . 26916 3 85 . 1 1 23 23 ARG N N 15 118.045 0.25 . 1 . . . . 23 Arg N . 26916 3 86 . 1 1 24 24 LYS H H 1 7.961 0.03 . 1 . . . . 24 Lys H . 26916 3 87 . 1 1 24 24 LYS C C 13 178.74 0.2 . 1 . . . . 24 Lys C . 26916 3 88 . 1 1 24 24 LYS CA C 13 58.962 0.2 . 1 . . . . 24 Lys CA . 26916 3 89 . 1 1 24 24 LYS N N 15 122.037 0.25 . 1 . . . . 24 Lys N . 26916 3 90 . 1 1 25 25 ILE H H 1 8.229 0.03 . 1 . . . . 25 Ile H . 26916 3 91 . 1 1 25 25 ILE C C 13 178.318 0.2 . 1 . . . . 25 Ile C . 26916 3 92 . 1 1 25 25 ILE CA C 13 64.568 0.2 . 1 . . . . 25 Ile CA . 26916 3 93 . 1 1 25 25 ILE N N 15 119.53 0.25 . 1 . . . . 25 Ile N . 26916 3 94 . 1 1 26 26 GLN H H 1 8.859 0.03 . 1 . . . . 26 Gln H . 26916 3 95 . 1 1 26 26 GLN C C 13 180.065 0.2 . 1 . . . . 26 Gln C . 26916 3 96 . 1 1 26 26 GLN CA C 13 59.062 0.2 . 1 . . . . 26 Gln CA . 26916 3 97 . 1 1 26 26 GLN N N 15 119.817 0.25 . 1 . . . . 26 Gln N . 26916 3 98 . 1 1 27 27 GLY H H 1 8.088 0.03 . 1 . . . . 27 Gly H . 26916 3 99 . 1 1 27 27 GLY C C 13 176.516 0.2 . 1 . . . . 27 Gly C . 26916 3 100 . 1 1 27 27 GLY CA C 13 46.835 0.2 . 1 . . . . 27 Gly CA . 26916 3 101 . 1 1 27 27 GLY N N 15 107.554 0.25 . 1 . . . . 27 Gly N . 26916 3 102 . 1 1 28 28 ASP H H 1 8.426 0.03 . 1 . . . . 28 Asp H . 26916 3 103 . 1 1 28 28 ASP C C 13 178.993 0.2 . 1 . . . . 28 Asp C . 26916 3 104 . 1 1 28 28 ASP CA C 13 55.686 0.2 . 1 . . . . 28 Asp CA . 26916 3 105 . 1 1 28 28 ASP CB C 13 40.129 0.2 . 1 . . . . 28 Asp CB . 26916 3 106 . 1 1 28 28 ASP N N 15 124.477 0.25 . 1 . . . . 28 Asp N . 26916 3 107 . 1 1 29 29 GLY H H 1 9.282 0.03 . 1 . . . . 29 Gly H . 26916 3 108 . 1 1 29 29 GLY C C 13 174.651 0.2 . 1 . . . . 29 Gly C . 26916 3 109 . 1 1 29 29 GLY CA C 13 46.339 0.2 . 1 . . . . 29 Gly CA . 26916 3 110 . 1 1 29 29 GLY N N 15 109.69 0.25 . 1 . . . . 29 Gly N . 26916 3 111 . 1 1 30 30 ALA H H 1 8.272 0.03 . 1 . . . . 30 Ala H . 26916 3 112 . 1 1 30 30 ALA C C 13 180.019 0.2 . 1 . . . . 30 Ala C . 26916 3 113 . 1 1 30 30 ALA CA C 13 54.376 0.2 . 1 . . . . 30 Ala CA . 26916 3 114 . 1 1 30 30 ALA CB C 13 18.127 0.2 . 1 . . . . 30 Ala CB . 26916 3 115 . 1 1 30 30 ALA N N 15 125.447 0.25 . 1 . . . . 30 Ala N . 26916 3 116 . 1 1 31 31 ALA H H 1 7.948 0.03 . 1 . . . . 31 Ala H . 26916 3 117 . 1 1 31 31 ALA C C 13 180.071 0.2 . 1 . . . . 31 Ala C . 26916 3 118 . 1 1 31 31 ALA CA C 13 54.477 0.2 . 1 . . . . 31 Ala CA . 26916 3 119 . 1 1 31 31 ALA CB C 13 18.15 0.2 . 1 . . . . 31 Ala CB . 26916 3 120 . 1 1 31 31 ALA N N 15 121.464 0.25 . 1 . . . . 31 Ala N . 26916 3 121 . 1 1 32 32 LEU H H 1 7.608 0.03 . 1 . . . . 32 Leu H . 26916 3 122 . 1 1 32 32 LEU C C 13 177.408 0.2 . 1 . . . . 32 Leu C . 26916 3 123 . 1 1 32 32 LEU CA C 13 57.883 0.2 . 1 . . . . 32 Leu CA . 26916 3 124 . 1 1 32 32 LEU N N 15 119.132 0.25 . 1 . . . . 32 Leu N . 26916 3 125 . 1 1 33 33 GLN H H 1 8.377 0.03 . 1 . . . . 33 Gln H . 26916 3 126 . 1 1 33 33 GLN C C 13 178.798 0.2 . 1 . . . . 33 Gln C . 26916 3 127 . 1 1 33 33 GLN CA C 13 59.62 0.2 . 1 . . . . 33 Gln CA . 26916 3 128 . 1 1 33 33 GLN N N 15 118.099 0.25 . 1 . . . . 33 Gln N . 26916 3 129 . 1 1 34 34 GLU H H 1 8.675 0.03 . 1 . . . . 34 Glu H . 26916 3 130 . 1 1 34 34 GLU C C 13 178.784 0.2 . 1 . . . . 34 Glu C . 26916 3 131 . 1 1 34 34 GLU CA C 13 59.259 0.2 . 1 . . . . 34 Glu CA . 26916 3 132 . 1 1 34 34 GLU CB C 13 29.724 0.2 . 1 . . . . 34 Glu CB . 26916 3 133 . 1 1 34 34 GLU N N 15 120.861 0.25 . 1 . . . . 34 Glu N . 26916 3 134 . 1 1 35 35 LYS H H 1 8.109 0.03 . 1 . . . . 35 Lys H . 26916 3 135 . 1 1 35 35 LYS C C 13 180.086 0.2 . 1 . . . . 35 Lys C . 26916 3 136 . 1 1 35 35 LYS CA C 13 58.92 0.2 . 1 . . . . 35 Lys CA . 26916 3 137 . 1 1 35 35 LYS N N 15 120.188 0.25 . 1 . . . . 35 Lys N . 26916 3 138 . 1 1 36 36 LEU H H 1 8.568 0.03 . 1 . . . . 36 Leu H . 26916 3 139 . 1 1 36 36 LEU C C 13 178.688 0.2 . 1 . . . . 36 Leu C . 26916 3 140 . 1 1 36 36 LEU CA C 13 58.665 0.2 . 1 . . . . 36 Leu CA . 26916 3 141 . 1 1 36 36 LEU N N 15 121.961 0.25 . 1 . . . . 36 Leu N . 26916 3 142 . 1 1 37 37 CYS H H 1 7.932 0.03 . 1 . . . . 37 Cys H . 26916 3 143 . 1 1 37 37 CYS C C 13 176.636 0.2 . 1 . . . . 37 Cys C . 26916 3 144 . 1 1 37 37 CYS CA C 13 56.596 0.2 . 1 . . . . 37 Cys CA . 26916 3 145 . 1 1 37 37 CYS CB C 13 38.368 0.2 . 1 . . . . 37 Cys CB . 26916 3 146 . 1 1 37 37 CYS N N 15 118.374 0.25 . 1 . . . . 37 Cys N . 26916 3 147 . 1 1 38 38 ALA H H 1 8.868 0.03 . 1 . . . . 38 Ala H . 26916 3 148 . 1 1 38 38 ALA C C 13 179.152 0.2 . 1 . . . . 38 Ala C . 26916 3 149 . 1 1 38 38 ALA CA C 13 54.81 0.2 . 1 . . . . 38 Ala CA . 26916 3 150 . 1 1 38 38 ALA CB C 13 19.354 0.2 . 1 . . . . 38 Ala CB . 26916 3 151 . 1 1 38 38 ALA N N 15 123.349 0.25 . 1 . . . . 38 Ala N . 26916 3 152 . 1 1 39 39 THR H H 1 8.187 0.03 . 1 . . . . 39 Thr H . 26916 3 153 . 1 1 39 39 THR C C 13 174.898 0.2 . 1 . . . . 39 Thr C . 26916 3 154 . 1 1 39 39 THR CA C 13 65.176 0.2 . 1 . . . . 39 Thr CA . 26916 3 155 . 1 1 39 39 THR CB C 13 69.796 0.2 . 1 . . . . 39 Thr CB . 26916 3 156 . 1 1 39 39 THR N N 15 110.379 0.25 . 1 . . . . 39 Thr N . 26916 3 157 . 1 1 40 40 TYR H H 1 7.158 0.03 . 1 . . . . 40 Tyr H . 26916 3 158 . 1 1 40 40 TYR C C 13 174.102 0.2 . 1 . . . . 40 Tyr C . 26916 3 159 . 1 1 40 40 TYR CA C 13 56.532 0.2 . 1 . . . . 40 Tyr CA . 26916 3 160 . 1 1 40 40 TYR N N 15 115.805 0.25 . 1 . . . . 40 Tyr N . 26916 3 161 . 1 1 41 41 LYS H H 1 7.711 0.03 . 1 . . . . 41 Lys H . 26916 3 162 . 1 1 41 41 LYS C C 13 175.611 0.2 . 1 . . . . 41 Lys C . 26916 3 163 . 1 1 41 41 LYS CA C 13 57.087 0.2 . 1 . . . . 41 Lys CA . 26916 3 164 . 1 1 41 41 LYS CB C 13 29.213 0.2 . 1 . . . . 41 Lys CB . 26916 3 165 . 1 1 41 41 LYS N N 15 114.631 0.25 . 1 . . . . 41 Lys N . 26916 3 166 . 1 1 42 42 LEU H H 1 6.937 0.03 . 1 . . . . 42 Leu H . 26916 3 167 . 1 1 42 42 LEU C C 13 174.956 0.2 . 1 . . . . 42 Leu C . 26916 3 168 . 1 1 42 42 LEU CA C 13 53.011 0.2 . 1 . . . . 42 Leu CA . 26916 3 169 . 1 1 42 42 LEU N N 15 121.376 0.25 . 1 . . . . 42 Leu N . 26916 3 170 . 1 1 43 43 CYS H H 1 8.189 0.03 . 1 . . . . 43 Cys H . 26916 3 171 . 1 1 43 43 CYS CA C 13 57.086 0.2 . 1 . . . . 43 Cys CA . 26916 3 172 . 1 1 43 43 CYS N N 15 118.922 0.25 . 1 . . . . 43 Cys N . 26916 3 173 . 1 1 45 45 PRO C C 13 177.771 0.2 . 1 . . . . 45 Pro C . 26916 3 174 . 1 1 45 45 PRO CA C 13 65.067 0.2 . 1 . . . . 45 Pro CA . 26916 3 175 . 1 1 46 46 GLU H H 1 10.048 0.03 . 1 . . . . 46 Glu H . 26916 3 176 . 1 1 46 46 GLU C C 13 178.08 0.2 . 1 . . . . 46 Glu C . 26916 3 177 . 1 1 46 46 GLU CA C 13 59.109 0.2 . 1 . . . . 46 Glu CA . 26916 3 178 . 1 1 46 46 GLU N N 15 118.29 0.25 . 1 . . . . 46 Glu N . 26916 3 179 . 1 1 47 47 GLU H H 1 7.597 0.03 . 1 . . . . 47 Glu H . 26916 3 180 . 1 1 47 47 GLU C C 13 177.175 0.2 . 1 . . . . 47 Glu C . 26916 3 181 . 1 1 47 47 GLU CA C 13 57.031 0.2 . 1 . . . . 47 Glu CA . 26916 3 182 . 1 1 47 47 GLU N N 15 117.284 0.25 . 1 . . . . 47 Glu N . 26916 3 183 . 1 1 48 48 LEU H H 1 7.682 0.03 . 1 . . . . 48 Leu H . 26916 3 184 . 1 1 48 48 LEU C C 13 176.749 0.2 . 1 . . . . 48 Leu C . 26916 3 185 . 1 1 48 48 LEU CA C 13 53.961 0.2 . 1 . . . . 48 Leu CA . 26916 3 186 . 1 1 48 48 LEU N N 15 117.886 0.25 . 1 . . . . 48 Leu N . 26916 3 187 . 1 1 49 49 VAL H H 1 7.226 0.03 . 1 . . . . 49 Val H . 26916 3 188 . 1 1 49 49 VAL C C 13 177.816 0.2 . 1 . . . . 49 Val C . 26916 3 189 . 1 1 49 49 VAL CA C 13 65.454 0.2 . 1 . . . . 49 Val CA . 26916 3 190 . 1 1 49 49 VAL CB C 13 32.475 0.2 . 1 . . . . 49 Val CB . 26916 3 191 . 1 1 49 49 VAL N N 15 119.583 0.25 . 1 . . . . 49 Val N . 26916 3 192 . 1 1 50 50 LEU H H 1 8.325 0.03 . 1 . . . . 50 Leu H . 26916 3 193 . 1 1 50 50 LEU C C 13 179.198 0.2 . 1 . . . . 50 Leu C . 26916 3 194 . 1 1 50 50 LEU CA C 13 57.387 0.2 . 1 . . . . 50 Leu CA . 26916 3 195 . 1 1 50 50 LEU CB C 13 42.996 0.2 . 1 . . . . 50 Leu CB . 26916 3 196 . 1 1 50 50 LEU N N 15 121.078 0.25 . 1 . . . . 50 Leu N . 26916 3 197 . 1 1 51 51 LEU H H 1 7.837 0.03 . 1 . . . . 51 Leu H . 26916 3 198 . 1 1 51 51 LEU C C 13 178.604 0.2 . 1 . . . . 51 Leu C . 26916 3 199 . 1 1 51 51 LEU CA C 13 56.598 0.2 . 1 . . . . 51 Leu CA . 26916 3 200 . 1 1 51 51 LEU CB C 13 42.171 0.2 . 1 . . . . 51 Leu CB . 26916 3 201 . 1 1 51 51 LEU N N 15 121.394 0.25 . 1 . . . . 51 Leu N . 26916 3 202 . 1 1 52 52 GLY H H 1 8.263 0.03 . 1 . . . . 52 Gly H . 26916 3 203 . 1 1 52 52 GLY C C 13 175.336 0.2 . 1 . . . . 52 Gly C . 26916 3 204 . 1 1 52 52 GLY CA C 13 47.503 0.2 . 1 . . . . 52 Gly CA . 26916 3 205 . 1 1 52 52 GLY N N 15 106.39 0.25 . 1 . . . . 52 Gly N . 26916 3 206 . 1 1 53 53 HIS H H 1 7.895 0.03 . 1 . . . . 53 His H . 26916 3 207 . 1 1 53 53 HIS C C 13 177.562 0.2 . 1 . . . . 53 His C . 26916 3 208 . 1 1 53 53 HIS CA C 13 57.872 0.2 . 1 . . . . 53 His CA . 26916 3 209 . 1 1 53 53 HIS CB C 13 31.358 0.2 . 1 . . . . 53 His CB . 26916 3 210 . 1 1 53 53 HIS N N 15 120.02 0.25 . 1 . . . . 53 His N . 26916 3 211 . 1 1 54 54 SER H H 1 8.282 0.03 . 1 . . . . 54 Ser H . 26916 3 212 . 1 1 54 54 SER C C 13 175.592 0.2 . 1 . . . . 54 Ser C . 26916 3 213 . 1 1 54 54 SER CA C 13 60.257 0.2 . 1 . . . . 54 Ser CA . 26916 3 214 . 1 1 54 54 SER N N 15 116.295 0.25 . 1 . . . . 54 Ser N . 26916 3 215 . 1 1 55 55 LEU H H 1 8.205 0.03 . 1 . . . . 55 Leu H . 26916 3 216 . 1 1 55 55 LEU C C 13 176.92 0.2 . 1 . . . . 55 Leu C . 26916 3 217 . 1 1 55 55 LEU CA C 13 55.104 0.2 . 1 . . . . 55 Leu CA . 26916 3 218 . 1 1 55 55 LEU N N 15 120.13 0.25 . 1 . . . . 55 Leu N . 26916 3 219 . 1 1 56 56 GLY H H 1 7.764 0.03 . 1 . . . . 56 Gly H . 26916 3 220 . 1 1 56 56 GLY C C 13 174.425 0.2 . 1 . . . . 56 Gly C . 26916 3 221 . 1 1 56 56 GLY CA C 13 46.062 0.2 . 1 . . . . 56 Gly CA . 26916 3 222 . 1 1 56 56 GLY N N 15 107.165 0.25 . 1 . . . . 56 Gly N . 26916 3 223 . 1 1 57 57 ILE H H 1 7.767 0.03 . 1 . . . . 57 Ile H . 26916 3 224 . 1 1 57 57 ILE C C 13 173.565 0.2 . 1 . . . . 57 Ile C . 26916 3 225 . 1 1 57 57 ILE CA C 13 58.709 0.2 . 1 . . . . 57 Ile CA . 26916 3 226 . 1 1 57 57 ILE CB C 13 38.683 0.2 . 1 . . . . 57 Ile CB . 26916 3 227 . 1 1 57 57 ILE N N 15 120.154 0.25 . 1 . . . . 57 Ile N . 26916 3 228 . 1 1 58 58 PRO CA C 13 61.974 0.2 . 1 . . . . 58 Pro CA . 26916 3 229 . 1 1 59 59 ARG H H 1 8.084 0.03 . 1 . . . . 59 Arg H . 26916 3 230 . 1 1 59 59 ARG C C 13 175.367 0.2 . 1 . . . . 59 Arg C . 26916 3 231 . 1 1 59 59 ARG CA C 13 53.518 0.2 . 1 . . . . 59 Arg CA . 26916 3 232 . 1 1 59 59 ARG CB C 13 32.471 0.2 . 1 . . . . 59 Arg CB . 26916 3 233 . 1 1 59 59 ARG N N 15 116.783 0.25 . 1 . . . . 59 Arg N . 26916 3 234 . 1 1 60 60 ALA H H 1 8.106 0.03 . 1 . . . . 60 Ala H . 26916 3 235 . 1 1 60 60 ALA C C 13 174.767 0.2 . 1 . . . . 60 Ala C . 26916 3 236 . 1 1 60 60 ALA CA C 13 49.196 0.2 . 1 . . . . 60 Ala CA . 26916 3 237 . 1 1 60 60 ALA CB C 13 19.959 0.2 . 1 . . . . 60 Ala CB . 26916 3 238 . 1 1 60 60 ALA N N 15 127.15 0.25 . 1 . . . . 60 Ala N . 26916 3 239 . 1 1 61 61 PRO CA C 13 62.481 0.2 . 1 . . . . 61 Pro CA . 26916 3 240 . 1 1 62 62 LEU H H 1 8.423 0.03 . 1 . . . . 62 Leu H . 26916 3 241 . 1 1 62 62 LEU C C 13 178.877 0.2 . 1 . . . . 62 Leu C . 26916 3 242 . 1 1 62 62 LEU CA C 13 53.86 0.2 . 1 . . . . 62 Leu CA . 26916 3 243 . 1 1 62 62 LEU N N 15 121.611 0.25 . 1 . . . . 62 Leu N . 26916 3 244 . 1 1 63 63 SER H H 1 7.336 0.03 . 1 . . . . 63 Ser H . 26916 3 245 . 1 1 63 63 SER CA C 13 59.828 0.2 . 1 . . . . 63 Ser CA . 26916 3 246 . 1 1 63 63 SER N N 15 115.445 0.25 . 1 . . . . 63 Ser N . 26916 3 247 . 1 1 64 64 SER H H 1 10.084 0.03 . 1 . . . . 64 Ser H . 26916 3 248 . 1 1 64 64 SER C C 13 173.239 0.2 . 1 . . . . 64 Ser C . 26916 3 249 . 1 1 64 64 SER CA C 13 58.984 0.2 . 1 . . . . 64 Ser CA . 26916 3 250 . 1 1 64 64 SER N N 15 118.935 0.25 . 1 . . . . 64 Ser N . 26916 3 251 . 1 1 65 65 CYS H H 1 7.952 0.03 . 1 . . . . 65 Cys H . 26916 3 252 . 1 1 65 65 CYS CA C 13 53.605 0.2 . 1 . . . . 65 Cys CA . 26916 3 253 . 1 1 65 65 CYS N N 15 118.952 0.25 . 1 . . . . 65 Cys N . 26916 3 254 . 1 1 66 66 PRO C C 13 176.658 0.2 . 1 . . . . 66 Pro C . 26916 3 255 . 1 1 66 66 PRO CA C 13 64.14 0.2 . 1 . . . . 66 Pro CA . 26916 3 256 . 1 1 67 67 SER H H 1 8.338 0.03 . 1 . . . . 67 Ser H . 26916 3 257 . 1 1 67 67 SER C C 13 174.865 0.2 . 1 . . . . 67 Ser C . 26916 3 258 . 1 1 67 67 SER CA C 13 60.698 0.2 . 1 . . . . 67 Ser CA . 26916 3 259 . 1 1 67 67 SER CB C 13 62.733 0.2 . 1 . . . . 67 Ser CB . 26916 3 260 . 1 1 67 67 SER N N 15 115.438 0.25 . 1 . . . . 67 Ser N . 26916 3 261 . 1 1 68 68 GLN H H 1 8.187 0.03 . 1 . . . . 68 Gln H . 26916 3 262 . 1 1 68 68 GLN C C 13 174.668 0.2 . 1 . . . . 68 Gln C . 26916 3 263 . 1 1 68 68 GLN CA C 13 55.879 0.2 . 1 . . . . 68 Gln CA . 26916 3 264 . 1 1 68 68 GLN CB C 13 29.349 0.2 . 1 . . . . 68 Gln CB . 26916 3 265 . 1 1 68 68 GLN N N 15 117.902 0.25 . 1 . . . . 68 Gln N . 26916 3 266 . 1 1 69 69 ALA H H 1 7.99 0.03 . 1 . . . . 69 Ala H . 26916 3 267 . 1 1 69 69 ALA C C 13 174.802 0.2 . 1 . . . . 69 Ala C . 26916 3 268 . 1 1 69 69 ALA CA C 13 51.489 0.2 . 1 . . . . 69 Ala CA . 26916 3 269 . 1 1 69 69 ALA CB C 13 18.473 0.2 . 1 . . . . 69 Ala CB . 26916 3 270 . 1 1 69 69 ALA N N 15 124.296 0.25 . 1 . . . . 69 Ala N . 26916 3 271 . 1 1 70 70 LEU H H 1 7.659 0.03 . 1 . . . . 70 Leu H . 26916 3 272 . 1 1 70 70 LEU C C 13 176.894 0.2 . 1 . . . . 70 Leu C . 26916 3 273 . 1 1 70 70 LEU CA C 13 56.205 0.2 . 1 . . . . 70 Leu CA . 26916 3 274 . 1 1 70 70 LEU N N 15 122.232 0.25 . 1 . . . . 70 Leu N . 26916 3 275 . 1 1 71 71 ARG H H 1 8.526 0.03 . 1 . . . . 71 Arg H . 26916 3 276 . 1 1 71 71 ARG CA C 13 54.128 0.2 . 1 . . . . 71 Arg CA . 26916 3 277 . 1 1 71 71 ARG N N 15 127.776 0.25 . 1 . . . . 71 Arg N . 26916 3 278 . 1 1 72 72 LEU H H 1 8.648 0.03 . 1 . . . . 72 Leu H . 26916 3 279 . 1 1 72 72 LEU C C 13 177.027 0.2 . 1 . . . . 72 Leu C . 26916 3 280 . 1 1 72 72 LEU CA C 13 59.45 0.2 . 1 . . . . 72 Leu CA . 26916 3 281 . 1 1 72 72 LEU N N 15 125.825 0.25 . 1 . . . . 72 Leu N . 26916 3 282 . 1 1 73 73 ALA H H 1 8.865 0.03 . 1 . . . . 73 Ala H . 26916 3 283 . 1 1 73 73 ALA C C 13 180.183 0.2 . 1 . . . . 73 Ala C . 26916 3 284 . 1 1 73 73 ALA CA C 13 55.538 0.2 . 1 . . . . 73 Ala CA . 26916 3 285 . 1 1 73 73 ALA CB C 13 18.403 0.2 . 1 . . . . 73 Ala CB . 26916 3 286 . 1 1 73 73 ALA N N 15 120.081 0.25 . 1 . . . . 73 Ala N . 26916 3 287 . 1 1 74 74 GLY H H 1 7.812 0.03 . 1 . . . . 74 Gly H . 26916 3 288 . 1 1 74 74 GLY C C 13 175.227 0.2 . 1 . . . . 74 Gly C . 26916 3 289 . 1 1 74 74 GLY CA C 13 46.782 0.2 . 1 . . . . 74 Gly CA . 26916 3 290 . 1 1 74 74 GLY N N 15 105.498 0.25 . 1 . . . . 74 Gly N . 26916 3 291 . 1 1 75 75 CYS H H 1 8.589 0.03 . 1 . . . . 75 Cys H . 26916 3 292 . 1 1 75 75 CYS C C 13 175.778 0.2 . 1 . . . . 75 Cys C . 26916 3 293 . 1 1 75 75 CYS CA C 13 57.803 0.2 . 1 . . . . 75 Cys CA . 26916 3 294 . 1 1 75 75 CYS N N 15 120.515 0.25 . 1 . . . . 75 Cys N . 26916 3 295 . 1 1 76 76 LEU H H 1 8.76 0.03 . 1 . . . . 76 Leu H . 26916 3 296 . 1 1 76 76 LEU C C 13 178.104 0.2 . 1 . . . . 76 Leu C . 26916 3 297 . 1 1 76 76 LEU CA C 13 58.296 0.2 . 1 . . . . 76 Leu CA . 26916 3 298 . 1 1 76 76 LEU N N 15 118.059 0.25 . 1 . . . . 76 Leu N . 26916 3 299 . 1 1 77 77 SER H H 1 7.863 0.03 . 1 . . . . 77 Ser H . 26916 3 300 . 1 1 77 77 SER C C 13 177.046 0.2 . 1 . . . . 77 Ser C . 26916 3 301 . 1 1 77 77 SER CA C 13 61.748 0.2 . 1 . . . . 77 Ser CA . 26916 3 302 . 1 1 77 77 SER CB C 13 63.187 0.2 . 1 . . . . 77 Ser CB . 26916 3 303 . 1 1 77 77 SER N N 15 111.697 0.25 . 1 . . . . 77 Ser N . 26916 3 304 . 1 1 78 78 GLN H H 1 8.096 0.03 . 1 . . . . 78 Gln H . 26916 3 305 . 1 1 78 78 GLN C C 13 180.238 0.2 . 1 . . . . 78 Gln C . 26916 3 306 . 1 1 78 78 GLN CA C 13 59.109 0.2 . 1 . . . . 78 Gln CA . 26916 3 307 . 1 1 78 78 GLN N N 15 122.767 0.25 . 1 . . . . 78 Gln N . 26916 3 308 . 1 1 79 79 LEU H H 1 9.128 0.03 . 1 . . . . 79 Leu H . 26916 3 309 . 1 1 79 79 LEU C C 13 178.009 0.2 . 1 . . . . 79 Leu C . 26916 3 310 . 1 1 79 79 LEU CA C 13 58.037 0.2 . 1 . . . . 79 Leu CA . 26916 3 311 . 1 1 79 79 LEU N N 15 124.034 0.25 . 1 . . . . 79 Leu N . 26916 3 312 . 1 1 80 80 HIS H H 1 8.71 0.03 . 1 . . . . 80 His H . 26916 3 313 . 1 1 80 80 HIS C C 13 176.179 0.2 . 1 . . . . 80 His C . 26916 3 314 . 1 1 80 80 HIS CA C 13 62.724 0.2 . 1 . . . . 80 His CA . 26916 3 315 . 1 1 80 80 HIS N N 15 118.808 0.25 . 1 . . . . 80 His N . 26916 3 316 . 1 1 81 81 SER H H 1 8.762 0.03 . 1 . . . . 81 Ser H . 26916 3 317 . 1 1 81 81 SER C C 13 177.634 0.2 . 1 . . . . 81 Ser C . 26916 3 318 . 1 1 81 81 SER CA C 13 61.42 0.2 . 1 . . . . 81 Ser CA . 26916 3 319 . 1 1 81 81 SER CB C 13 63.086 0.2 . 1 . . . . 81 Ser CB . 26916 3 320 . 1 1 81 81 SER N N 15 111.966 0.25 . 1 . . . . 81 Ser N . 26916 3 321 . 1 1 82 82 GLY H H 1 8.568 0.03 . 1 . . . . 82 Gly H . 26916 3 322 . 1 1 82 82 GLY C C 13 173.811 0.2 . 1 . . . . 82 Gly C . 26916 3 323 . 1 1 82 82 GLY CA C 13 47.069 0.2 . 1 . . . . 82 Gly CA . 26916 3 324 . 1 1 82 82 GLY N N 15 110.515 0.25 . 1 . . . . 82 Gly N . 26916 3 325 . 1 1 83 83 LEU H H 1 8.12 0.03 . 1 . . . . 83 Leu H . 26916 3 326 . 1 1 83 83 LEU C C 13 178.39 0.2 . 1 . . . . 83 Leu C . 26916 3 327 . 1 1 83 83 LEU CA C 13 57.974 0.2 . 1 . . . . 83 Leu CA . 26916 3 328 . 1 1 83 83 LEU N N 15 122.362 0.25 . 1 . . . . 83 Leu N . 26916 3 329 . 1 1 84 84 LEU H H 1 7.753 0.03 . 1 . . . . 84 Leu H . 26916 3 330 . 1 1 84 84 LEU C C 13 180.25 0.2 . 1 . . . . 84 Leu C . 26916 3 331 . 1 1 84 84 LEU CA C 13 57.5 0.2 . 1 . . . . 84 Leu CA . 26916 3 332 . 1 1 84 84 LEU N N 15 118.537 0.25 . 1 . . . . 84 Leu N . 26916 3 333 . 1 1 85 85 LEU H H 1 7.869 0.03 . 1 . . . . 85 Leu H . 26916 3 334 . 1 1 85 85 LEU C C 13 178.671 0.2 . 1 . . . . 85 Leu C . 26916 3 335 . 1 1 85 85 LEU CA C 13 57.831 0.2 . 1 . . . . 85 Leu CA . 26916 3 336 . 1 1 85 85 LEU N N 15 123.816 0.25 . 1 . . . . 85 Leu N . 26916 3 337 . 1 1 86 86 TYR H H 1 8.131 0.03 . 1 . . . . 86 Tyr H . 26916 3 338 . 1 1 86 86 TYR C C 13 177.483 0.2 . 1 . . . . 86 Tyr C . 26916 3 339 . 1 1 86 86 TYR CA C 13 63.614 0.2 . 1 . . . . 86 Tyr CA . 26916 3 340 . 1 1 86 86 TYR N N 15 116.97 0.25 . 1 . . . . 86 Tyr N . 26916 3 341 . 1 1 87 87 GLN H H 1 8.919 0.03 . 1 . . . . 87 Gln H . 26916 3 342 . 1 1 87 87 GLN C C 13 178.071 0.2 . 1 . . . . 87 Gln C . 26916 3 343 . 1 1 87 87 GLN CA C 13 59.994 0.2 . 1 . . . . 87 Gln CA . 26916 3 344 . 1 1 87 87 GLN CB C 13 29.508 0.2 . 1 . . . . 87 Gln CB . 26916 3 345 . 1 1 87 87 GLN N N 15 120.604 0.25 . 1 . . . . 87 Gln N . 26916 3 346 . 1 1 88 88 GLY H H 1 7.93 0.03 . 1 . . . . 88 Gly H . 26916 3 347 . 1 1 88 88 GLY C C 13 176.738 0.2 . 1 . . . . 88 Gly C . 26916 3 348 . 1 1 88 88 GLY CA C 13 46.929 0.2 . 1 . . . . 88 Gly CA . 26916 3 349 . 1 1 88 88 GLY N N 15 106.346 0.25 . 1 . . . . 88 Gly N . 26916 3 350 . 1 1 89 89 LEU H H 1 8.593 0.03 . 1 . . . . 89 Leu H . 26916 3 351 . 1 1 89 89 LEU C C 13 177.675 0.2 . 1 . . . . 89 Leu C . 26916 3 352 . 1 1 89 89 LEU CA C 13 57.525 0.2 . 1 . . . . 89 Leu CA . 26916 3 353 . 1 1 89 89 LEU N N 15 124.192 0.25 . 1 . . . . 89 Leu N . 26916 3 354 . 1 1 90 90 LEU H H 1 8.525 0.03 . 1 . . . . 90 Leu H . 26916 3 355 . 1 1 90 90 LEU C C 13 180.216 0.2 . 1 . . . . 90 Leu C . 26916 3 356 . 1 1 90 90 LEU CA C 13 57.364 0.2 . 1 . . . . 90 Leu CA . 26916 3 357 . 1 1 90 90 LEU N N 15 116.092 0.25 . 1 . . . . 90 Leu N . 26916 3 358 . 1 1 91 91 GLN H H 1 8.12 0.03 . 1 . . . . 91 Gln H . 26916 3 359 . 1 1 91 91 GLN C C 13 178.701 0.2 . 1 . . . . 91 Gln C . 26916 3 360 . 1 1 91 91 GLN CA C 13 58.805 0.2 . 1 . . . . 91 Gln CA . 26916 3 361 . 1 1 91 91 GLN CB C 13 28.644 0.2 . 1 . . . . 91 Gln CB . 26916 3 362 . 1 1 91 91 GLN N N 15 119.865 0.25 . 1 . . . . 91 Gln N . 26916 3 363 . 1 1 92 92 ALA H H 1 7.917 0.03 . 1 . . . . 92 Ala H . 26916 3 364 . 1 1 92 92 ALA C C 13 177.363 0.2 . 1 . . . . 92 Ala C . 26916 3 365 . 1 1 92 92 ALA CA C 13 53.547 0.2 . 1 . . . . 92 Ala CA . 26916 3 366 . 1 1 92 92 ALA CB C 13 18.391 0.2 . 1 . . . . 92 Ala CB . 26916 3 367 . 1 1 92 92 ALA N N 15 121.826 0.25 . 1 . . . . 92 Ala N . 26916 3 368 . 1 1 93 93 LEU H H 1 7.273 0.03 . 1 . . . . 93 Leu H . 26916 3 369 . 1 1 93 93 LEU C C 13 176.278 0.2 . 1 . . . . 93 Leu C . 26916 3 370 . 1 1 93 93 LEU CA C 13 55.353 0.2 . 1 . . . . 93 Leu CA . 26916 3 371 . 1 1 93 93 LEU N N 15 115.779 0.25 . 1 . . . . 93 Leu N . 26916 3 372 . 1 1 94 94 GLU H H 1 7.949 0.03 . 1 . . . . 94 Glu H . 26916 3 373 . 1 1 94 94 GLU C C 13 176.357 0.2 . 1 . . . . 94 Glu C . 26916 3 374 . 1 1 94 94 GLU CA C 13 56.688 0.2 . 1 . . . . 94 Glu CA . 26916 3 375 . 1 1 94 94 GLU CB C 13 28.222 0.2 . 1 . . . . 94 Glu CB . 26916 3 376 . 1 1 94 94 GLU N N 15 116.124 0.25 . 1 . . . . 94 Glu N . 26916 3 377 . 1 1 95 95 GLY H H 1 7.758 0.03 . 1 . . . . 95 Gly H . 26916 3 378 . 1 1 95 95 GLY C C 13 173.215 0.2 . 1 . . . . 95 Gly C . 26916 3 379 . 1 1 95 95 GLY CA C 13 46.074 0.2 . 1 . . . . 95 Gly CA . 26916 3 380 . 1 1 95 95 GLY N N 15 107.775 0.25 . 1 . . . . 95 Gly N . 26916 3 381 . 1 1 96 96 ILE H H 1 7.622 0.03 . 1 . . . . 96 Ile H . 26916 3 382 . 1 1 96 96 ILE N N 15 110.369 0.25 . 1 . . . . 96 Ile N . 26916 3 383 . 1 1 98 98 PRO C C 13 178.576 0.2 . 1 . . . . 98 Pro C . 26916 3 384 . 1 1 98 98 PRO CA C 13 65.379 0.2 . 1 . . . . 98 Pro CA . 26916 3 385 . 1 1 99 99 GLU H H 1 9.008 0.03 . 1 . . . . 99 Glu H . 26916 3 386 . 1 1 99 99 GLU C C 13 177.274 0.2 . 1 . . . . 99 Glu C . 26916 3 387 . 1 1 99 99 GLU CA C 13 58.469 0.2 . 1 . . . . 99 Glu CA . 26916 3 388 . 1 1 99 99 GLU N N 15 115.233 0.25 . 1 . . . . 99 Glu N . 26916 3 389 . 1 1 100 100 LEU H H 1 7.8 0.03 . 1 . . . . 100 Leu H . 26916 3 390 . 1 1 100 100 LEU C C 13 176.72 0.2 . 1 . . . . 100 Leu C . 26916 3 391 . 1 1 100 100 LEU CA C 13 54.021 0.2 . 1 . . . . 100 Leu CA . 26916 3 392 . 1 1 100 100 LEU CB C 13 43.1 0.2 . 1 . . . . 100 Leu CB . 26916 3 393 . 1 1 100 100 LEU N N 15 121.353 0.25 . 1 . . . . 100 Leu N . 26916 3 394 . 1 1 101 101 GLY H H 1 7.881 0.03 . 1 . . . . 101 Gly H . 26916 3 395 . 1 1 101 101 GLY CA C 13 49.07 0.2 . 1 . . . . 101 Gly CA . 26916 3 396 . 1 1 101 101 GLY N N 15 108.52 0.25 . 1 . . . . 101 Gly N . 26916 3 397 . 1 1 102 102 PRO C C 13 178.929 0.2 . 1 . . . . 102 Pro C . 26916 3 398 . 1 1 102 102 PRO CA C 13 65.267 0.2 . 1 . . . . 102 Pro CA . 26916 3 399 . 1 1 103 103 THR H H 1 7.55 0.03 . 1 . . . . 103 Thr H . 26916 3 400 . 1 1 103 103 THR C C 13 176.474 0.2 . 1 . . . . 103 Thr C . 26916 3 401 . 1 1 103 103 THR CA C 13 66.244 0.2 . 1 . . . . 103 Thr CA . 26916 3 402 . 1 1 103 103 THR CB C 13 67.791 0.2 . 1 . . . . 103 Thr CB . 26916 3 403 . 1 1 103 103 THR N N 15 114.714 0.25 . 1 . . . . 103 Thr N . 26916 3 404 . 1 1 104 104 LEU H H 1 8.132 0.03 . 1 . . . . 104 Leu H . 26916 3 405 . 1 1 104 104 LEU C C 13 178.319 0.2 . 1 . . . . 104 Leu C . 26916 3 406 . 1 1 104 104 LEU CA C 13 57.52 0.2 . 1 . . . . 104 Leu CA . 26916 3 407 . 1 1 104 104 LEU N N 15 125.243 0.25 . 1 . . . . 104 Leu N . 26916 3 408 . 1 1 105 105 ASP H H 1 8.938 0.03 . 1 . . . . 105 Asp H . 26916 3 409 . 1 1 105 105 ASP C C 13 178.355 0.2 . 1 . . . . 105 Asp C . 26916 3 410 . 1 1 105 105 ASP CA C 13 57.392 0.2 . 1 . . . . 105 Asp CA . 26916 3 411 . 1 1 105 105 ASP CB C 13 41.054 0.2 . 1 . . . . 105 Asp CB . 26916 3 412 . 1 1 105 105 ASP N N 15 121.722 0.25 . 1 . . . . 105 Asp N . 26916 3 413 . 1 1 106 106 THR H H 1 7.863 0.03 . 1 . . . . 106 Thr H . 26916 3 414 . 1 1 106 106 THR C C 13 174.634 0.2 . 1 . . . . 106 Thr C . 26916 3 415 . 1 1 106 106 THR CA C 13 66.349 0.2 . 1 . . . . 106 Thr CA . 26916 3 416 . 1 1 106 106 THR N N 15 116.747 0.25 . 1 . . . . 106 Thr N . 26916 3 417 . 1 1 107 107 LEU H H 1 7.399 0.03 . 1 . . . . 107 Leu H . 26916 3 418 . 1 1 107 107 LEU C C 13 177.505 0.2 . 1 . . . . 107 Leu C . 26916 3 419 . 1 1 107 107 LEU CA C 13 57.491 0.2 . 1 . . . . 107 Leu CA . 26916 3 420 . 1 1 107 107 LEU N N 15 120.79 0.25 . 1 . . . . 107 Leu N . 26916 3 421 . 1 1 108 108 GLN H H 1 8.568 0.03 . 1 . . . . 108 Gln H . 26916 3 422 . 1 1 108 108 GLN C C 13 177.968 0.2 . 1 . . . . 108 Gln C . 26916 3 423 . 1 1 108 108 GLN CA C 13 59.962 0.2 . 1 . . . . 108 Gln CA . 26916 3 424 . 1 1 108 108 GLN CB C 13 29.542 0.2 . 1 . . . . 108 Gln CB . 26916 3 425 . 1 1 108 108 GLN N N 15 116.48 0.25 . 1 . . . . 108 Gln N . 26916 3 426 . 1 1 109 109 LEU H H 1 8.068 0.03 . 1 . . . . 109 Leu H . 26916 3 427 . 1 1 109 109 LEU C C 13 178.953 0.2 . 1 . . . . 109 Leu C . 26916 3 428 . 1 1 109 109 LEU CA C 13 57.674 0.2 . 1 . . . . 109 Leu CA . 26916 3 429 . 1 1 109 109 LEU CB C 13 41.998 0.2 . 1 . . . . 109 Leu CB . 26916 3 430 . 1 1 109 109 LEU N N 15 121.405 0.25 . 1 . . . . 109 Leu N . 26916 3 431 . 1 1 110 110 ASP H H 1 8.397 0.03 . 1 . . . . 110 Asp H . 26916 3 432 . 1 1 110 110 ASP C C 13 179.337 0.2 . 1 . . . . 110 Asp C . 26916 3 433 . 1 1 110 110 ASP CA C 13 56.72 0.2 . 1 . . . . 110 Asp CA . 26916 3 434 . 1 1 110 110 ASP N N 15 119.923 0.25 . 1 . . . . 110 Asp N . 26916 3 435 . 1 1 111 111 VAL H H 1 8.603 0.03 . 1 . . . . 111 Val H . 26916 3 436 . 1 1 111 111 VAL C C 13 176.567 0.2 . 1 . . . . 111 Val C . 26916 3 437 . 1 1 111 111 VAL CA C 13 67.027 0.2 . 1 . . . . 111 Val CA . 26916 3 438 . 1 1 111 111 VAL N N 15 122.586 0.25 . 1 . . . . 111 Val N . 26916 3 439 . 1 1 112 112 ALA H H 1 8.182 0.03 . 1 . . . . 112 Ala H . 26916 3 440 . 1 1 112 112 ALA C C 13 180.223 0.2 . 1 . . . . 112 Ala C . 26916 3 441 . 1 1 112 112 ALA CA C 13 54.887 0.2 . 1 . . . . 112 Ala CA . 26916 3 442 . 1 1 112 112 ALA CB C 13 18.847 0.2 . 1 . . . . 112 Ala CB . 26916 3 443 . 1 1 112 112 ALA N N 15 122.591 0.25 . 1 . . . . 112 Ala N . 26916 3 444 . 1 1 113 113 ASP H H 1 8.499 0.03 . 1 . . . . 113 Asp H . 26916 3 445 . 1 1 113 113 ASP C C 13 178.583 0.2 . 1 . . . . 113 Asp C . 26916 3 446 . 1 1 113 113 ASP CA C 13 56.913 0.2 . 1 . . . . 113 Asp CA . 26916 3 447 . 1 1 113 113 ASP CB C 13 41.69 0.2 . 1 . . . . 113 Asp CB . 26916 3 448 . 1 1 113 113 ASP N N 15 118.693 0.25 . 1 . . . . 113 Asp N . 26916 3 449 . 1 1 114 114 PHE H H 1 7.966 0.03 . 1 . . . . 114 Phe H . 26916 3 450 . 1 1 114 114 PHE C C 13 176.921 0.2 . 1 . . . . 114 Phe C . 26916 3 451 . 1 1 114 114 PHE CA C 13 56.885 0.2 . 1 . . . . 114 Phe CA . 26916 3 452 . 1 1 114 114 PHE N N 15 121.251 0.25 . 1 . . . . 114 Phe N . 26916 3 453 . 1 1 115 115 ALA H H 1 8.729 0.03 . 1 . . . . 115 Ala H . 26916 3 454 . 1 1 115 115 ALA C C 13 179.442 0.2 . 1 . . . . 115 Ala C . 26916 3 455 . 1 1 115 115 ALA CA C 13 55.727 0.2 . 1 . . . . 115 Ala CA . 26916 3 456 . 1 1 115 115 ALA CB C 13 17.701 0.2 . 1 . . . . 115 Ala CB . 26916 3 457 . 1 1 115 115 ALA N N 15 121.935 0.25 . 1 . . . . 115 Ala N . 26916 3 458 . 1 1 116 116 THR H H 1 8.503 0.03 . 1 . . . . 116 Thr H . 26916 3 459 . 1 1 116 116 THR C C 13 175.716 0.2 . 1 . . . . 116 Thr C . 26916 3 460 . 1 1 116 116 THR CA C 13 66.499 0.2 . 1 . . . . 116 Thr CA . 26916 3 461 . 1 1 116 116 THR CB C 13 68.309 0.2 . 1 . . . . 116 Thr CB . 26916 3 462 . 1 1 116 116 THR N N 15 115.651 0.25 . 1 . . . . 116 Thr N . 26916 3 463 . 1 1 117 117 THR H H 1 8.231 0.03 . 1 . . . . 117 Thr H . 26916 3 464 . 1 1 117 117 THR C C 13 177.071 0.2 . 1 . . . . 117 Thr C . 26916 3 465 . 1 1 117 117 THR CA C 13 66.421 0.2 . 1 . . . . 117 Thr CA . 26916 3 466 . 1 1 117 117 THR CB C 13 68.415 0.2 . 1 . . . . 117 Thr CB . 26916 3 467 . 1 1 117 117 THR N N 15 120.565 0.25 . 1 . . . . 117 Thr N . 26916 3 468 . 1 1 118 118 ILE H H 1 8.325 0.03 . 1 . . . . 118 Ile H . 26916 3 469 . 1 1 118 118 ILE C C 13 176.415 0.2 . 1 . . . . 118 Ile C . 26916 3 470 . 1 1 118 118 ILE CA C 13 64.744 0.2 . 1 . . . . 118 Ile CA . 26916 3 471 . 1 1 118 118 ILE CB C 13 43.256 0.2 . 1 . . . . 118 Ile CB . 26916 3 472 . 1 1 118 118 ILE N N 15 121.526 0.25 . 1 . . . . 118 Ile N . 26916 3 473 . 1 1 119 119 TRP H H 1 8.901 0.03 . 1 . . . . 119 Trp H . 26916 3 474 . 1 1 119 119 TRP C C 13 177.355 0.2 . 1 . . . . 119 Trp C . 26916 3 475 . 1 1 119 119 TRP CA C 13 60.983 0.2 . 1 . . . . 119 Trp CA . 26916 3 476 . 1 1 119 119 TRP N N 15 121.867 0.25 . 1 . . . . 119 Trp N . 26916 3 477 . 1 1 120 120 GLN H H 1 8.749 0.03 . 1 . . . . 120 Gln H . 26916 3 478 . 1 1 120 120 GLN C C 13 178.414 0.2 . 1 . . . . 120 Gln C . 26916 3 479 . 1 1 120 120 GLN CA C 13 58.557 0.2 . 1 . . . . 120 Gln CA . 26916 3 480 . 1 1 120 120 GLN N N 15 115.994 0.25 . 1 . . . . 120 Gln N . 26916 3 481 . 1 1 121 121 GLN H H 1 7.696 0.03 . 1 . . . . 121 Gln H . 26916 3 482 . 1 1 121 121 GLN C C 13 178.056 0.2 . 1 . . . . 121 Gln C . 26916 3 483 . 1 1 121 121 GLN CA C 13 57.262 0.2 . 1 . . . . 121 Gln CA . 26916 3 484 . 1 1 121 121 GLN N N 15 119.284 0.25 . 1 . . . . 121 Gln N . 26916 3 485 . 1 1 122 122 MET H H 1 8.212 0.03 . 1 . . . . 122 Met H . 26916 3 486 . 1 1 122 122 MET C C 13 178.002 0.2 . 1 . . . . 122 Met C . 26916 3 487 . 1 1 122 122 MET CA C 13 59.907 0.2 . 1 . . . . 122 Met CA . 26916 3 488 . 1 1 122 122 MET N N 15 118.582 0.25 . 1 . . . . 122 Met N . 26916 3 489 . 1 1 123 123 GLU H H 1 8.223 0.03 . 1 . . . . 123 Glu H . 26916 3 490 . 1 1 123 123 GLU C C 13 180.273 0.2 . 1 . . . . 123 Glu C . 26916 3 491 . 1 1 123 123 GLU CA C 13 59.098 0.2 . 1 . . . . 123 Glu CA . 26916 3 492 . 1 1 123 123 GLU CB C 13 30.03 0.2 . 1 . . . . 123 Glu CB . 26916 3 493 . 1 1 123 123 GLU N N 15 119.867 0.25 . 1 . . . . 123 Glu N . 26916 3 494 . 1 1 124 124 GLU H H 1 8.02 0.03 . 1 . . . . 124 Glu H . 26916 3 495 . 1 1 124 124 GLU C C 13 177.865 0.2 . 1 . . . . 124 Glu C . 26916 3 496 . 1 1 124 124 GLU CA C 13 59.023 0.2 . 1 . . . . 124 Glu CA . 26916 3 497 . 1 1 124 124 GLU CB C 13 30.095 0.2 . 1 . . . . 124 Glu CB . 26916 3 498 . 1 1 124 124 GLU N N 15 121.389 0.25 . 1 . . . . 124 Glu N . 26916 3 499 . 1 1 125 125 LEU H H 1 7.397 0.03 . 1 . . . . 125 Leu H . 26916 3 500 . 1 1 125 125 LEU C C 13 176.669 0.2 . 1 . . . . 125 Leu C . 26916 3 501 . 1 1 125 125 LEU CA C 13 54.141 0.2 . 1 . . . . 125 Leu CA . 26916 3 502 . 1 1 125 125 LEU CB C 13 42.798 0.2 . 1 . . . . 125 Leu CB . 26916 3 503 . 1 1 125 125 LEU N N 15 116.155 0.25 . 1 . . . . 125 Leu N . 26916 3 504 . 1 1 126 126 GLY H H 1 7.84 0.03 . 1 . . . . 126 Gly H . 26916 3 505 . 1 1 126 126 GLY C C 13 174.907 0.2 . 1 . . . . 126 Gly C . 26916 3 506 . 1 1 126 126 GLY CA C 13 46.102 0.2 . 1 . . . . 126 Gly CA . 26916 3 507 . 1 1 126 126 GLY N N 15 108.536 0.25 . 1 . . . . 126 Gly N . 26916 3 508 . 1 1 127 127 MET H H 1 7.991 0.03 . 1 . . . . 127 Met H . 26916 3 509 . 1 1 127 127 MET C C 13 173.96 0.2 . 1 . . . . 127 Met C . 26916 3 510 . 1 1 127 127 MET CA C 13 54.736 0.2 . 1 . . . . 127 Met CA . 26916 3 511 . 1 1 127 127 MET CB C 13 34.42 0.2 . 1 . . . . 127 Met CB . 26916 3 512 . 1 1 127 127 MET N N 15 116.589 0.25 . 1 . . . . 127 Met N . 26916 3 513 . 1 1 128 128 ALA H H 1 7.983 0.03 . 1 . . . . 128 Ala H . 26916 3 514 . 1 1 128 128 ALA C C 13 174.516 0.2 . 1 . . . . 128 Ala C . 26916 3 515 . 1 1 128 128 ALA CA C 13 50.255 0.2 . 1 . . . . 128 Ala CA . 26916 3 516 . 1 1 128 128 ALA CB C 13 17.718 0.2 . 1 . . . . 128 Ala CB . 26916 3 517 . 1 1 128 128 ALA N N 15 123.872 0.25 . 1 . . . . 128 Ala N . 26916 3 518 . 1 1 129 129 PRO C C 13 175.31 0.2 . 1 . . . . 129 Pro C . 26916 3 519 . 1 1 129 129 PRO CA C 13 61.975 0.2 . 1 . . . . 129 Pro CA . 26916 3 520 . 1 1 130 130 ALA H H 1 8.302 0.03 . 1 . . . . 130 Ala H . 26916 3 521 . 1 1 130 130 ALA C C 13 177.114 0.2 . 1 . . . . 130 Ala C . 26916 3 522 . 1 1 130 130 ALA CA C 13 51.986 0.2 . 1 . . . . 130 Ala CA . 26916 3 523 . 1 1 130 130 ALA CB C 13 20.132 0.2 . 1 . . . . 130 Ala CB . 26916 3 524 . 1 1 130 130 ALA N N 15 122.649 0.25 . 1 . . . . 130 Ala N . 26916 3 525 . 1 1 131 131 LEU H H 1 8.124 0.03 . 1 . . . . 131 Leu H . 26916 3 526 . 1 1 131 131 LEU C C 13 176.434 0.2 . 1 . . . . 131 Leu C . 26916 3 527 . 1 1 131 131 LEU CA C 13 54.115 0.2 . 1 . . . . 131 Leu CA . 26916 3 528 . 1 1 131 131 LEU CB C 13 43.582 0.2 . 1 . . . . 131 Leu CB . 26916 3 529 . 1 1 131 131 LEU N N 15 120.594 0.25 . 1 . . . . 131 Leu N . 26916 3 530 . 1 1 132 132 GLN H H 1 8.498 0.03 . 1 . . . . 132 Gln H . 26916 3 531 . 1 1 132 132 GLN C C 13 173.567 0.2 . 1 . . . . 132 Gln C . 26916 3 532 . 1 1 132 132 GLN CA C 13 53.07 0.2 . 1 . . . . 132 Gln CA . 26916 3 533 . 1 1 132 132 GLN CB C 13 29.478 0.2 . 1 . . . . 132 Gln CB . 26916 3 534 . 1 1 132 132 GLN N N 15 123.08 0.25 . 1 . . . . 132 Gln N . 26916 3 535 . 1 1 133 133 PRO C C 13 176.259 0.2 . 1 . . . . 133 Pro C . 26916 3 536 . 1 1 133 133 PRO CA C 13 62.515 0.2 . 1 . . . . 133 Pro CA . 26916 3 537 . 1 1 133 133 PRO CB C 13 32.53 0.2 . 1 . . . . 133 Pro CB . 26916 3 538 . 1 1 134 134 THR H H 1 8.215 0.03 . 1 . . . . 134 Thr H . 26916 3 539 . 1 1 134 134 THR C C 13 174.043 0.2 . 1 . . . . 134 Thr C . 26916 3 540 . 1 1 134 134 THR CA C 13 61.255 0.2 . 1 . . . . 134 Thr CA . 26916 3 541 . 1 1 134 134 THR CB C 13 70.443 0.2 . 1 . . . . 134 Thr CB . 26916 3 542 . 1 1 134 134 THR N N 15 115.245 0.25 . 1 . . . . 134 Thr N . 26916 3 543 . 1 1 135 135 GLN H H 1 8.538 0.03 . 1 . . . . 135 Gln H . 26916 3 544 . 1 1 135 135 GLN C C 13 175.776 0.2 . 1 . . . . 135 Gln C . 26916 3 545 . 1 1 135 135 GLN CA C 13 55.336 0.2 . 1 . . . . 135 Gln CA . 26916 3 546 . 1 1 135 135 GLN CB C 13 30.374 0.2 . 1 . . . . 135 Gln CB . 26916 3 547 . 1 1 135 135 GLN N N 15 123.699 0.25 . 1 . . . . 135 Gln N . 26916 3 548 . 1 1 136 136 GLY H H 1 8.298 0.03 . 1 . . . . 136 Gly H . 26916 3 549 . 1 1 136 136 GLY C C 13 172.379 0.2 . 1 . . . . 136 Gly C . 26916 3 550 . 1 1 136 136 GLY CA C 13 44.261 0.2 . 1 . . . . 136 Gly CA . 26916 3 551 . 1 1 136 136 GLY N N 15 110.278 0.25 . 1 . . . . 136 Gly N . 26916 3 552 . 1 1 137 137 ALA H H 1 8.12 0.03 . 1 . . . . 137 Ala H . 26916 3 553 . 1 1 137 137 ALA C C 13 177.244 0.2 . 1 . . . . 137 Ala C . 26916 3 554 . 1 1 137 137 ALA CA C 13 51.67 0.2 . 1 . . . . 137 Ala CA . 26916 3 555 . 1 1 137 137 ALA CB C 13 19.827 0.2 . 1 . . . . 137 Ala CB . 26916 3 556 . 1 1 137 137 ALA N N 15 123.1 0.25 . 1 . . . . 137 Ala N . 26916 3 557 . 1 1 138 138 MET H H 1 8.396 0.03 . 1 . . . . 138 Met H . 26916 3 558 . 1 1 138 138 MET C C 13 173.75 0.2 . 1 . . . . 138 Met C . 26916 3 559 . 1 1 138 138 MET CA C 13 51.736 0.2 . 1 . . . . 138 Met CA . 26916 3 560 . 1 1 138 138 MET CB C 13 34.16 0.2 . 1 . . . . 138 Met CB . 26916 3 561 . 1 1 138 138 MET N N 15 121.614 0.25 . 1 . . . . 138 Met N . 26916 3 562 . 1 1 139 139 PRO C C 13 173.689 0.2 . 1 . . . . 139 Pro C . 26916 3 563 . 1 1 139 139 PRO CA C 13 61.771 0.2 . 1 . . . . 139 Pro CA . 26916 3 564 . 1 1 139 139 PRO CB C 13 31.863 0.2 . 1 . . . . 139 Pro CB . 26916 3 565 . 1 1 140 140 ALA H H 1 7.896 0.03 . 1 . . . . 140 Ala H . 26916 3 566 . 1 1 140 140 ALA C C 13 176.206 0.2 . 1 . . . . 140 Ala C . 26916 3 567 . 1 1 140 140 ALA CA C 13 50.221 0.2 . 1 . . . . 140 Ala CA . 26916 3 568 . 1 1 140 140 ALA CB C 13 20.289 0.2 . 1 . . . . 140 Ala CB . 26916 3 569 . 1 1 140 140 ALA N N 15 122.361 0.25 . 1 . . . . 140 Ala N . 26916 3 570 . 1 1 141 141 PHE H H 1 8.485 0.03 . 1 . . . . 141 Phe H . 26916 3 571 . 1 1 141 141 PHE C C 13 175.105 0.2 . 1 . . . . 141 Phe C . 26916 3 572 . 1 1 141 141 PHE CA C 13 56.177 0.2 . 1 . . . . 141 Phe CA . 26916 3 573 . 1 1 141 141 PHE CB C 13 40.156 0.2 . 1 . . . . 141 Phe CB . 26916 3 574 . 1 1 141 141 PHE N N 15 120.532 0.25 . 1 . . . . 141 Phe N . 26916 3 575 . 1 1 142 142 ALA H H 1 8.304 0.03 . 1 . . . . 142 Ala H . 26916 3 576 . 1 1 142 142 ALA C C 13 176.746 0.2 . 1 . . . . 142 Ala C . 26916 3 577 . 1 1 142 142 ALA CA C 13 53.204 0.2 . 1 . . . . 142 Ala CA . 26916 3 578 . 1 1 142 142 ALA CB C 13 20.436 0.2 . 1 . . . . 142 Ala CB . 26916 3 579 . 1 1 142 142 ALA N N 15 124.792 0.25 . 1 . . . . 142 Ala N . 26916 3 580 . 1 1 143 143 SER H H 1 7.783 0.03 . 1 . . . . 143 Ser H . 26916 3 581 . 1 1 143 143 SER C C 13 173.932 0.2 . 1 . . . . 143 Ser C . 26916 3 582 . 1 1 143 143 SER CA C 13 55.597 0.2 . 1 . . . . 143 Ser CA . 26916 3 583 . 1 1 143 143 SER CB C 13 67.304 0.2 . 1 . . . . 143 Ser CB . 26916 3 584 . 1 1 143 143 SER N N 15 111.305 0.25 . 1 . . . . 143 Ser N . 26916 3 585 . 1 1 144 144 ALA CA C 13 55.217 0.2 . 1 . . . . 144 Ala CA . 26916 3 586 . 1 1 145 145 PHE H H 1 8.751 0.03 . 1 . . . . 145 Phe H . 26916 3 587 . 1 1 145 145 PHE C C 13 179.299 0.2 . 1 . . . . 145 Phe C . 26916 3 588 . 1 1 145 145 PHE CA C 13 61.381 0.2 . 1 . . . . 145 Phe CA . 26916 3 589 . 1 1 145 145 PHE N N 15 117.258 0.25 . 1 . . . . 145 Phe N . 26916 3 590 . 1 1 146 146 GLN H H 1 7.888 0.03 . 1 . . . . 146 Gln H . 26916 3 591 . 1 1 146 146 GLN C C 13 177.981 0.2 . 1 . . . . 146 Gln C . 26916 3 592 . 1 1 146 146 GLN CA C 13 59.29 0.2 . 1 . . . . 146 Gln CA . 26916 3 593 . 1 1 146 146 GLN N N 15 115.985 0.25 . 1 . . . . 146 Gln N . 26916 3 594 . 1 1 147 147 ARG H H 1 7.916 0.03 . 1 . . . . 147 Arg H . 26916 3 595 . 1 1 147 147 ARG C C 13 176.849 0.2 . 1 . . . . 147 Arg C . 26916 3 596 . 1 1 147 147 ARG CA C 13 59.298 0.2 . 1 . . . . 147 Arg CA . 26916 3 597 . 1 1 147 147 ARG N N 15 117.61 0.25 . 1 . . . . 147 Arg N . 26916 3 598 . 1 1 148 148 ARG H H 1 7.823 0.03 . 1 . . . . 148 Arg H . 26916 3 599 . 1 1 148 148 ARG C C 13 176.463 0.2 . 1 . . . . 148 Arg C . 26916 3 600 . 1 1 148 148 ARG CA C 13 59.173 0.2 . 1 . . . . 148 Arg CA . 26916 3 601 . 1 1 148 148 ARG N N 15 118.066 0.25 . 1 . . . . 148 Arg N . 26916 3 602 . 1 1 149 149 ALA H H 1 8.209 0.03 . 1 . . . . 149 Ala H . 26916 3 603 . 1 1 149 149 ALA C C 13 179.309 0.2 . 1 . . . . 149 Ala C . 26916 3 604 . 1 1 149 149 ALA CA C 13 54.181 0.2 . 1 . . . . 149 Ala CA . 26916 3 605 . 1 1 149 149 ALA CB C 13 18.767 0.2 . 1 . . . . 149 Ala CB . 26916 3 606 . 1 1 149 149 ALA N N 15 119.905 0.25 . 1 . . . . 149 Ala N . 26916 3 607 . 1 1 150 150 GLY H H 1 8.274 0.03 . 1 . . . . 150 Gly H . 26916 3 608 . 1 1 150 150 GLY C C 13 174.602 0.2 . 1 . . . . 150 Gly C . 26916 3 609 . 1 1 150 150 GLY CA C 13 46.754 0.2 . 1 . . . . 150 Gly CA . 26916 3 610 . 1 1 150 150 GLY N N 15 105.791 0.25 . 1 . . . . 150 Gly N . 26916 3 611 . 1 1 151 151 GLY H H 1 7.903 0.03 . 1 . . . . 151 Gly H . 26916 3 612 . 1 1 151 151 GLY C C 13 173.362 0.2 . 1 . . . . 151 Gly C . 26916 3 613 . 1 1 151 151 GLY CA C 13 47.552 0.2 . 1 . . . . 151 Gly CA . 26916 3 614 . 1 1 151 151 GLY N N 15 108.752 0.25 . 1 . . . . 151 Gly N . 26916 3 615 . 1 1 152 152 VAL H H 1 7.354 0.03 . 1 . . . . 152 Val H . 26916 3 616 . 1 1 152 152 VAL C C 13 178.475 0.2 . 1 . . . . 152 Val C . 26916 3 617 . 1 1 152 152 VAL CA C 13 65.994 0.2 . 1 . . . . 152 Val CA . 26916 3 618 . 1 1 152 152 VAL N N 15 121.014 0.25 . 1 . . . . 152 Val N . 26916 3 619 . 1 1 153 153 LEU H H 1 7.914 0.03 . 1 . . . . 153 Leu H . 26916 3 620 . 1 1 153 153 LEU C C 13 177.9 0.2 . 1 . . . . 153 Leu C . 26916 3 621 . 1 1 153 153 LEU CA C 13 57.715 0.2 . 1 . . . . 153 Leu CA . 26916 3 622 . 1 1 153 153 LEU N N 15 119.99 0.25 . 1 . . . . 153 Leu N . 26916 3 623 . 1 1 154 154 VAL H H 1 9.143 0.03 . 1 . . . . 154 Val H . 26916 3 624 . 1 1 154 154 VAL C C 13 177.035 0.2 . 1 . . . . 154 Val C . 26916 3 625 . 1 1 154 154 VAL CA C 13 66.923 0.2 . 1 . . . . 154 Val CA . 26916 3 626 . 1 1 154 154 VAL N N 15 118.468 0.25 . 1 . . . . 154 Val N . 26916 3 627 . 1 1 155 155 ALA H H 1 8.136 0.03 . 1 . . . . 155 Ala H . 26916 3 628 . 1 1 155 155 ALA C C 13 178.787 0.2 . 1 . . . . 155 Ala C . 26916 3 629 . 1 1 155 155 ALA CA C 13 55.476 0.2 . 1 . . . . 155 Ala CA . 26916 3 630 . 1 1 155 155 ALA CB C 13 17.796 0.2 . 1 . . . . 155 Ala CB . 26916 3 631 . 1 1 155 155 ALA N N 15 119.3 0.25 . 1 . . . . 155 Ala N . 26916 3 632 . 1 1 156 156 SER H H 1 7.838 0.03 . 1 . . . . 156 Ser H . 26916 3 633 . 1 1 156 156 SER C C 13 177.5 0.2 . 1 . . . . 156 Ser C . 26916 3 634 . 1 1 156 156 SER CA C 13 61.114 0.2 . 1 . . . . 156 Ser CA . 26916 3 635 . 1 1 156 156 SER CB C 13 62.531 0.2 . 1 . . . . 156 Ser CB . 26916 3 636 . 1 1 156 156 SER N N 15 113.416 0.25 . 1 . . . . 156 Ser N . 26916 3 637 . 1 1 157 157 HIS H H 1 8.695 0.03 . 1 . . . . 157 His H . 26916 3 638 . 1 1 157 157 HIS C C 13 178.527 0.2 . 1 . . . . 157 His C . 26916 3 639 . 1 1 157 157 HIS CA C 13 58.009 0.2 . 1 . . . . 157 His CA . 26916 3 640 . 1 1 157 157 HIS N N 15 123.551 0.25 . 1 . . . . 157 His N . 26916 3 641 . 1 1 158 158 LEU H H 1 8.819 0.03 . 1 . . . . 158 Leu H . 26916 3 642 . 1 1 158 158 LEU C C 13 177.865 0.2 . 1 . . . . 158 Leu C . 26916 3 643 . 1 1 158 158 LEU CA C 13 57.403 0.2 . 1 . . . . 158 Leu CA . 26916 3 644 . 1 1 158 158 LEU N N 15 122.019 0.25 . 1 . . . . 158 Leu N . 26916 3 645 . 1 1 159 159 GLN H H 1 8.305 0.03 . 1 . . . . 159 Gln H . 26916 3 646 . 1 1 159 159 GLN C C 13 176.384 0.2 . 1 . . . . 159 Gln C . 26916 3 647 . 1 1 159 159 GLN CA C 13 59.161 0.2 . 1 . . . . 159 Gln CA . 26916 3 648 . 1 1 159 159 GLN N N 15 118.169 0.25 . 1 . . . . 159 Gln N . 26916 3 649 . 1 1 160 160 SER H H 1 7.89 0.03 . 1 . . . . 160 Ser H . 26916 3 650 . 1 1 160 160 SER C C 13 176.192 0.2 . 1 . . . . 160 Ser C . 26916 3 651 . 1 1 160 160 SER CA C 13 61.614 0.2 . 1 . . . . 160 Ser CA . 26916 3 652 . 1 1 160 160 SER CB C 13 62.904 0.2 . 1 . . . . 160 Ser CB . 26916 3 653 . 1 1 160 160 SER N N 15 115.976 0.25 . 1 . . . . 160 Ser N . 26916 3 654 . 1 1 161 161 PHE H H 1 8.291 0.03 . 1 . . . . 161 Phe H . 26916 3 655 . 1 1 161 161 PHE C C 13 178.232 0.2 . 1 . . . . 161 Phe C . 26916 3 656 . 1 1 161 161 PHE CA C 13 60.752 0.2 . 1 . . . . 161 Phe CA . 26916 3 657 . 1 1 161 161 PHE N N 15 125.084 0.25 . 1 . . . . 161 Phe N . 26916 3 658 . 1 1 162 162 LEU H H 1 9.156 0.03 . 1 . . . . 162 Leu H . 26916 3 659 . 1 1 162 162 LEU C C 13 178.108 0.2 . 1 . . . . 162 Leu C . 26916 3 660 . 1 1 162 162 LEU CA C 13 56.595 0.2 . 1 . . . . 162 Leu CA . 26916 3 661 . 1 1 162 162 LEU CB C 13 41.865 0.2 . 1 . . . . 162 Leu CB . 26916 3 662 . 1 1 162 162 LEU N N 15 121.097 0.25 . 1 . . . . 162 Leu N . 26916 3 663 . 1 1 163 163 GLU H H 1 8.038 0.03 . 1 . . . . 163 Glu H . 26916 3 664 . 1 1 163 163 GLU C C 13 179.194 0.2 . 1 . . . . 163 Glu C . 26916 3 665 . 1 1 163 163 GLU CA C 13 59.278 0.2 . 1 . . . . 163 Glu CA . 26916 3 666 . 1 1 163 163 GLU N N 15 121.23 0.25 . 1 . . . . 163 Glu N . 26916 3 667 . 1 1 164 164 VAL H H 1 7.357 0.03 . 1 . . . . 164 Val H . 26916 3 668 . 1 1 164 164 VAL C C 13 177.618 0.2 . 1 . . . . 164 Val C . 26916 3 669 . 1 1 164 164 VAL CA C 13 66.145 0.2 . 1 . . . . 164 Val CA . 26916 3 670 . 1 1 164 164 VAL N N 15 119.675 0.25 . 1 . . . . 164 Val N . 26916 3 671 . 1 1 165 165 SER H H 1 8.1 0.03 . 1 . . . . 165 Ser H . 26916 3 672 . 1 1 165 165 SER C C 13 174.386 0.2 . 1 . . . . 165 Ser C . 26916 3 673 . 1 1 165 165 SER CA C 13 62.789 0.2 . 1 . . . . 165 Ser CA . 26916 3 674 . 1 1 165 165 SER N N 15 115.531 0.25 . 1 . . . . 165 Ser N . 26916 3 675 . 1 1 166 166 TYR H H 1 8.714 0.03 . 1 . . . . 166 Tyr H . 26916 3 676 . 1 1 166 166 TYR C C 13 175.707 0.2 . 1 . . . . 166 Tyr C . 26916 3 677 . 1 1 166 166 TYR CA C 13 61.6 0.2 . 1 . . . . 166 Tyr CA . 26916 3 678 . 1 1 166 166 TYR N N 15 121.182 0.25 . 1 . . . . 166 Tyr N . 26916 3 679 . 1 1 167 167 ARG H H 1 7.627 0.03 . 1 . . . . 167 Arg H . 26916 3 680 . 1 1 167 167 ARG C C 13 179.175 0.2 . 1 . . . . 167 Arg C . 26916 3 681 . 1 1 167 167 ARG CA C 13 59.345 0.2 . 1 . . . . 167 Arg CA . 26916 3 682 . 1 1 167 167 ARG N N 15 117.57 0.25 . 1 . . . . 167 Arg N . 26916 3 683 . 1 1 168 168 VAL H H 1 8.439 0.03 . 1 . . . . 168 Val H . 26916 3 684 . 1 1 168 168 VAL C C 13 177.155 0.2 . 1 . . . . 168 Val C . 26916 3 685 . 1 1 168 168 VAL CA C 13 65.938 0.2 . 1 . . . . 168 Val CA . 26916 3 686 . 1 1 168 168 VAL N N 15 120.484 0.25 . 1 . . . . 168 Val N . 26916 3 687 . 1 1 169 169 LEU H H 1 8.047 0.03 . 1 . . . . 169 Leu H . 26916 3 688 . 1 1 169 169 LEU C C 13 178.367 0.2 . 1 . . . . 169 Leu C . 26916 3 689 . 1 1 169 169 LEU CA C 13 57.974 0.2 . 1 . . . . 169 Leu CA . 26916 3 690 . 1 1 169 169 LEU N N 15 118.532 0.25 . 1 . . . . 169 Leu N . 26916 3 691 . 1 1 170 170 ARG H H 1 8.447 0.03 . 1 . . . . 170 Arg H . 26916 3 692 . 1 1 170 170 ARG C C 13 178.44 0.2 . 1 . . . . 170 Arg C . 26916 3 693 . 1 1 170 170 ARG CA C 13 58.284 0.2 . 1 . . . . 170 Arg CA . 26916 3 694 . 1 1 170 170 ARG N N 15 117.131 0.25 . 1 . . . . 170 Arg N . 26916 3 695 . 1 1 171 171 HIS H H 1 8.003 0.03 . 1 . . . . 171 His H . 26916 3 696 . 1 1 171 171 HIS C C 13 177.287 0.2 . 1 . . . . 171 His C . 26916 3 697 . 1 1 171 171 HIS CA C 13 58.577 0.2 . 1 . . . . 171 His CA . 26916 3 698 . 1 1 171 171 HIS CB C 13 30.669 0.2 . 1 . . . . 171 His CB . 26916 3 699 . 1 1 171 171 HIS N N 15 119.094 0.25 . 1 . . . . 171 His N . 26916 3 700 . 1 1 172 172 LEU H H 1 7.83 0.03 . 1 . . . . 172 Leu H . 26916 3 701 . 1 1 172 172 LEU C C 13 177.081 0.2 . 1 . . . . 172 Leu C . 26916 3 702 . 1 1 172 172 LEU CA C 13 55.882 0.2 . 1 . . . . 172 Leu CA . 26916 3 703 . 1 1 172 172 LEU CB C 13 43.23 0.2 . 1 . . . . 172 Leu CB . 26916 3 704 . 1 1 172 172 LEU N N 15 117.566 0.25 . 1 . . . . 172 Leu N . 26916 3 705 . 1 1 173 173 ALA H H 1 7.698 0.03 . 1 . . . . 173 Ala H . 26916 3 706 . 1 1 173 173 ALA C C 13 176.701 0.2 . 1 . . . . 173 Ala C . 26916 3 707 . 1 1 173 173 ALA CA C 13 52.173 0.2 . 1 . . . . 173 Ala CA . 26916 3 708 . 1 1 173 173 ALA CB C 13 19.807 0.2 . 1 . . . . 173 Ala CB . 26916 3 709 . 1 1 173 173 ALA N N 15 120.564 0.25 . 1 . . . . 173 Ala N . 26916 3 710 . 1 1 174 174 GLN H H 1 7.687 0.03 . 1 . . . . 174 Gln H . 26916 3 711 . 1 1 174 174 GLN C C 13 172.09 0.2 . 1 . . . . 174 Gln C . 26916 3 712 . 1 1 174 174 GLN CA C 13 53.328 0.2 . 1 . . . . 174 Gln CA . 26916 3 713 . 1 1 174 174 GLN CB C 13 29.566 0.2 . 1 . . . . 174 Gln CB . 26916 3 714 . 1 1 174 174 GLN N N 15 119.322 0.25 . 1 . . . . 174 Gln N . 26916 3 stop_ save_ save_G-CSFC3_pH7_extra_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode G-CSFC3_pH7_extra_shift_list _Assigned_chem_shift_list.Entry_ID 26916 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $G-CSFC3_pH7_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 7 '2D 1H-15N HSQC' . . . 26916 4 8 '3D CBCA(CO)NH' . . . 26916 4 9 '3D HNCA' . . . 26916 4 10 '3D HN(CO)CA' . . . 26916 4 11 '3D HNCO' . . . 26916 4 12 '3D HN(CA)CO' . . . 26916 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO C C 13 176.324 0.2 . 1 . . . . 3 Pro C . 26916 4 2 . 1 1 3 3 PRO CA C 13 62.711 0.2 . 1 . . . . 3 Pro CA . 26916 4 3 . 1 1 3 3 PRO CB C 13 32.525 0.2 . 1 . . . . 3 Pro CB . 26916 4 4 . 1 1 4 4 LEU H H 1 8.372 0.03 . 1 . . . . 4 Leu H . 26916 4 5 . 1 1 4 4 LEU C C 13 177.214 0.2 . 1 . . . . 4 Leu C . 26916 4 6 . 1 1 4 4 LEU CA C 13 54.733 0.2 . 1 . . . . 4 Leu CA . 26916 4 7 . 1 1 4 4 LEU CB C 13 43.083 0.2 . 1 . . . . 4 Leu CB . 26916 4 8 . 1 1 4 4 LEU N N 15 122.624 0.25 . 1 . . . . 4 Leu N . 26916 4 9 . 1 1 5 5 GLY H H 1 8.147 0.03 . 1 . . . . 5 Gly H . 26916 4 10 . 1 1 5 5 GLY CA C 13 44.033 0.2 . 1 . . . . 5 Gly CA . 26916 4 11 . 1 1 5 5 GLY N N 15 109.439 0.25 . 1 . . . . 5 Gly N . 26916 4 12 . 1 1 6 6 PRO C C 13 176.557 0.2 . 1 . . . . 6 Pro C . 26916 4 13 . 1 1 6 6 PRO CA C 13 62.009 0.2 . 1 . . . . 6 Pro CA . 26916 4 14 . 1 1 6 6 PRO CB C 13 32.531 0.2 . 1 . . . . 6 Pro CB . 26916 4 stop_ save_