data_27959 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27959 _Entry.Title ; Including protons in solid-state NMR resonance assignment and secondary structure analysis: The example of RNA polymerase II subunits Rpo4/7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-25 _Entry.Accession_date 2019-06-25 _Entry.Last_release_date 2019-06-25 _Entry.Original_release_date 2019-06-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Anahit Torosyan . . . . 27959 2 Thomas Wiegand . . . . 27959 3 Maarten Schledorn . . . . 27959 4 Anja Boeckmann . . . . 27959 5 Beat Meier . . . . 27959 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27959 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 594 27959 '15N chemical shifts' 145 27959 '1H chemical shifts' 265 27959 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-11-22 2018-10-01 update BMRB 'update entry citation' 27959 1 . . 2019-07-23 2018-10-01 original author 'original release' 27959 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27959 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31637245 _Citation.Full_citation . _Citation.Title ; Including protons in solid-state NMR resonance assignment and secondary structure analysis: The example of RNA polymerase II subunits Rpo4/7 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 100 _Citation.Page_last 100 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anahit Torosyan . . . . 27959 1 2 Thomas Wiegand . . . . 27959 1 3 Maarten Schledorn . . . . 27959 1 4 Daniel Klose . . . . 27959 1 5 Peter Guentert . . . . 27959 1 6 Anja Boeckmann . . . . 27959 1 7 Beat Meier . . . . 27959 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27959 _Assembly.ID 1 _Assembly.Name Rpo4/Rpo7 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rpo7 1 $Rpo7 A . yes native no no . . . 27959 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpo7 _Entity.Sf_category entity _Entity.Sf_framecode Rpo7 _Entity.Entry_ID 27959 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rpo7 _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 ; MYKILEIADVVKVPPEEFGK DLKETVKKILMEKYEGRLDK DVGFVLSIVDVKDIGEGKVV HGDGSAYHPVVFETLVYIPE MYELIEGEVVDVVEFGSFVR LGPLDGLIHVSQIMDDYVSY DPKREAIIGKETGKVLEIGD YVRARIVAISLKAERKRGSK IALTMRQPYLGKLEWIEEEK AKKQNQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27959 1 2 . TYR . 27959 1 3 . LYS . 27959 1 4 . ILE . 27959 1 5 . LEU . 27959 1 6 . GLU . 27959 1 7 . ILE . 27959 1 8 . ALA . 27959 1 9 . ASP . 27959 1 10 . VAL . 27959 1 11 . VAL . 27959 1 12 . LYS . 27959 1 13 . VAL . 27959 1 14 . PRO . 27959 1 15 . PRO . 27959 1 16 . GLU . 27959 1 17 . GLU . 27959 1 18 . PHE . 27959 1 19 . GLY . 27959 1 20 . LYS . 27959 1 21 . ASP . 27959 1 22 . LEU . 27959 1 23 . LYS . 27959 1 24 . GLU . 27959 1 25 . THR . 27959 1 26 . VAL . 27959 1 27 . LYS . 27959 1 28 . LYS . 27959 1 29 . ILE . 27959 1 30 . LEU . 27959 1 31 . MET . 27959 1 32 . GLU . 27959 1 33 . LYS . 27959 1 34 . TYR . 27959 1 35 . GLU . 27959 1 36 . GLY . 27959 1 37 . ARG . 27959 1 38 . LEU . 27959 1 39 . ASP . 27959 1 40 . LYS . 27959 1 41 . ASP . 27959 1 42 . VAL . 27959 1 43 . GLY . 27959 1 44 . PHE . 27959 1 45 . VAL . 27959 1 46 . LEU . 27959 1 47 . SER . 27959 1 48 . ILE . 27959 1 49 . VAL . 27959 1 50 . ASP . 27959 1 51 . VAL . 27959 1 52 . LYS . 27959 1 53 . ASP . 27959 1 54 . ILE . 27959 1 55 . GLY . 27959 1 56 . GLU . 27959 1 57 . GLY . 27959 1 58 . LYS . 27959 1 59 . VAL . 27959 1 60 . VAL . 27959 1 61 . HIS . 27959 1 62 . GLY . 27959 1 63 . ASP . 27959 1 64 . GLY . 27959 1 65 . SER . 27959 1 66 . ALA . 27959 1 67 . TYR . 27959 1 68 . HIS . 27959 1 69 . PRO . 27959 1 70 . VAL . 27959 1 71 . VAL . 27959 1 72 . PHE . 27959 1 73 . GLU . 27959 1 74 . THR . 27959 1 75 . LEU . 27959 1 76 . VAL . 27959 1 77 . TYR . 27959 1 78 . ILE . 27959 1 79 . PRO . 27959 1 80 . GLU . 27959 1 81 . MET . 27959 1 82 . TYR . 27959 1 83 . GLU . 27959 1 84 . LEU . 27959 1 85 . ILE . 27959 1 86 . GLU . 27959 1 87 . GLY . 27959 1 88 . GLU . 27959 1 89 . VAL . 27959 1 90 . VAL . 27959 1 91 . ASP . 27959 1 92 . VAL . 27959 1 93 . VAL . 27959 1 94 . GLU . 27959 1 95 . PHE . 27959 1 96 . GLY . 27959 1 97 . SER . 27959 1 98 . PHE . 27959 1 99 . VAL . 27959 1 100 . ARG . 27959 1 101 . LEU . 27959 1 102 . GLY . 27959 1 103 . PRO . 27959 1 104 . LEU . 27959 1 105 . ASP . 27959 1 106 . GLY . 27959 1 107 . LEU . 27959 1 108 . ILE . 27959 1 109 . HIS . 27959 1 110 . VAL . 27959 1 111 . SER . 27959 1 112 . GLN . 27959 1 113 . ILE . 27959 1 114 . MET . 27959 1 115 . ASP . 27959 1 116 . ASP . 27959 1 117 . TYR . 27959 1 118 . VAL . 27959 1 119 . SER . 27959 1 120 . TYR . 27959 1 121 . ASP . 27959 1 122 . PRO . 27959 1 123 . LYS . 27959 1 124 . ARG . 27959 1 125 . GLU . 27959 1 126 . ALA . 27959 1 127 . ILE . 27959 1 128 . ILE . 27959 1 129 . GLY . 27959 1 130 . LYS . 27959 1 131 . GLU . 27959 1 132 . THR . 27959 1 133 . GLY . 27959 1 134 . LYS . 27959 1 135 . VAL . 27959 1 136 . LEU . 27959 1 137 . GLU . 27959 1 138 . ILE . 27959 1 139 . GLY . 27959 1 140 . ASP . 27959 1 141 . TYR . 27959 1 142 . VAL . 27959 1 143 . ARG . 27959 1 144 . ALA . 27959 1 145 . ARG . 27959 1 146 . ILE . 27959 1 147 . VAL . 27959 1 148 . ALA . 27959 1 149 . ILE . 27959 1 150 . SER . 27959 1 151 . LEU . 27959 1 152 . LYS . 27959 1 153 . ALA . 27959 1 154 . GLU . 27959 1 155 . ARG . 27959 1 156 . LYS . 27959 1 157 . ARG . 27959 1 158 . GLY . 27959 1 159 . SER . 27959 1 160 . LYS . 27959 1 161 . ILE . 27959 1 162 . ALA . 27959 1 163 . LEU . 27959 1 164 . THR . 27959 1 165 . MET . 27959 1 166 . ARG . 27959 1 167 . GLN . 27959 1 168 . PRO . 27959 1 169 . TYR . 27959 1 170 . LEU . 27959 1 171 . GLY . 27959 1 172 . LYS . 27959 1 173 . LEU . 27959 1 174 . GLU . 27959 1 175 . TRP . 27959 1 176 . ILE . 27959 1 177 . GLU . 27959 1 178 . GLU . 27959 1 179 . GLU . 27959 1 180 . LYS . 27959 1 181 . ALA . 27959 1 182 . LYS . 27959 1 183 . LYS . 27959 1 184 . GLN . 27959 1 185 . ASN . 27959 1 186 . GLN . 27959 1 187 . GLU . 27959 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 27959 1 . TYR 2 2 27959 1 . LYS 3 3 27959 1 . ILE 4 4 27959 1 . LEU 5 5 27959 1 . GLU 6 6 27959 1 . ILE 7 7 27959 1 . ALA 8 8 27959 1 . ASP 9 9 27959 1 . VAL 10 10 27959 1 . VAL 11 11 27959 1 . LYS 12 12 27959 1 . VAL 13 13 27959 1 . PRO 14 14 27959 1 . PRO 15 15 27959 1 . GLU 16 16 27959 1 . GLU 17 17 27959 1 . PHE 18 18 27959 1 . GLY 19 19 27959 1 . LYS 20 20 27959 1 . ASP 21 21 27959 1 . LEU 22 22 27959 1 . LYS 23 23 27959 1 . GLU 24 24 27959 1 . THR 25 25 27959 1 . VAL 26 26 27959 1 . LYS 27 27 27959 1 . LYS 28 28 27959 1 . ILE 29 29 27959 1 . LEU 30 30 27959 1 . MET 31 31 27959 1 . GLU 32 32 27959 1 . LYS 33 33 27959 1 . TYR 34 34 27959 1 . GLU 35 35 27959 1 . GLY 36 36 27959 1 . ARG 37 37 27959 1 . LEU 38 38 27959 1 . ASP 39 39 27959 1 . LYS 40 40 27959 1 . ASP 41 41 27959 1 . VAL 42 42 27959 1 . GLY 43 43 27959 1 . PHE 44 44 27959 1 . VAL 45 45 27959 1 . LEU 46 46 27959 1 . SER 47 47 27959 1 . ILE 48 48 27959 1 . VAL 49 49 27959 1 . ASP 50 50 27959 1 . VAL 51 51 27959 1 . LYS 52 52 27959 1 . ASP 53 53 27959 1 . ILE 54 54 27959 1 . GLY 55 55 27959 1 . GLU 56 56 27959 1 . GLY 57 57 27959 1 . LYS 58 58 27959 1 . VAL 59 59 27959 1 . VAL 60 60 27959 1 . HIS 61 61 27959 1 . GLY 62 62 27959 1 . ASP 63 63 27959 1 . GLY 64 64 27959 1 . SER 65 65 27959 1 . ALA 66 66 27959 1 . TYR 67 67 27959 1 . HIS 68 68 27959 1 . PRO 69 69 27959 1 . VAL 70 70 27959 1 . VAL 71 71 27959 1 . PHE 72 72 27959 1 . GLU 73 73 27959 1 . THR 74 74 27959 1 . LEU 75 75 27959 1 . VAL 76 76 27959 1 . TYR 77 77 27959 1 . ILE 78 78 27959 1 . PRO 79 79 27959 1 . GLU 80 80 27959 1 . MET 81 81 27959 1 . TYR 82 82 27959 1 . GLU 83 83 27959 1 . LEU 84 84 27959 1 . ILE 85 85 27959 1 . GLU 86 86 27959 1 . GLY 87 87 27959 1 . GLU 88 88 27959 1 . VAL 89 89 27959 1 . VAL 90 90 27959 1 . ASP 91 91 27959 1 . VAL 92 92 27959 1 . VAL 93 93 27959 1 . GLU 94 94 27959 1 . PHE 95 95 27959 1 . GLY 96 96 27959 1 . SER 97 97 27959 1 . PHE 98 98 27959 1 . VAL 99 99 27959 1 . ARG 100 100 27959 1 . LEU 101 101 27959 1 . GLY 102 102 27959 1 . PRO 103 103 27959 1 . LEU 104 104 27959 1 . ASP 105 105 27959 1 . GLY 106 106 27959 1 . LEU 107 107 27959 1 . ILE 108 108 27959 1 . HIS 109 109 27959 1 . VAL 110 110 27959 1 . SER 111 111 27959 1 . GLN 112 112 27959 1 . ILE 113 113 27959 1 . MET 114 114 27959 1 . ASP 115 115 27959 1 . ASP 116 116 27959 1 . TYR 117 117 27959 1 . VAL 118 118 27959 1 . SER 119 119 27959 1 . TYR 120 120 27959 1 . ASP 121 121 27959 1 . PRO 122 122 27959 1 . LYS 123 123 27959 1 . ARG 124 124 27959 1 . GLU 125 125 27959 1 . ALA 126 126 27959 1 . ILE 127 127 27959 1 . ILE 128 128 27959 1 . GLY 129 129 27959 1 . LYS 130 130 27959 1 . GLU 131 131 27959 1 . THR 132 132 27959 1 . GLY 133 133 27959 1 . LYS 134 134 27959 1 . VAL 135 135 27959 1 . LEU 136 136 27959 1 . GLU 137 137 27959 1 . ILE 138 138 27959 1 . GLY 139 139 27959 1 . ASP 140 140 27959 1 . TYR 141 141 27959 1 . VAL 142 142 27959 1 . ARG 143 143 27959 1 . ALA 144 144 27959 1 . ARG 145 145 27959 1 . ILE 146 146 27959 1 . VAL 147 147 27959 1 . ALA 148 148 27959 1 . ILE 149 149 27959 1 . SER 150 150 27959 1 . LEU 151 151 27959 1 . LYS 152 152 27959 1 . ALA 153 153 27959 1 . GLU 154 154 27959 1 . ARG 155 155 27959 1 . LYS 156 156 27959 1 . ARG 157 157 27959 1 . GLY 158 158 27959 1 . SER 159 159 27959 1 . LYS 160 160 27959 1 . ILE 161 161 27959 1 . ALA 162 162 27959 1 . LEU 163 163 27959 1 . THR 164 164 27959 1 . MET 165 165 27959 1 . ARG 166 166 27959 1 . GLN 167 167 27959 1 . PRO 168 168 27959 1 . TYR 169 169 27959 1 . LEU 170 170 27959 1 . GLY 171 171 27959 1 . LYS 172 172 27959 1 . LEU 173 173 27959 1 . GLU 174 174 27959 1 . TRP 175 175 27959 1 . ILE 176 176 27959 1 . GLU 177 177 27959 1 . GLU 178 178 27959 1 . GLU 179 179 27959 1 . LYS 180 180 27959 1 . ALA 181 181 27959 1 . LYS 182 182 27959 1 . LYS 183 183 27959 1 . GLN 184 184 27959 1 . ASN 185 185 27959 1 . GLN 186 186 27959 1 . GLU 187 187 27959 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 27959 _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 $Rpo7 . 2190 organism . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . Rpo7 . 27959 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 27959 _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 $Rpo7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET21_Rpo7S65C . . . 27959 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27959 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 'RNA polymerase subunit Rpo7' '[U-100% 13C; U-100% 15N]' . . 1 $Rpo7 . . 16 . . mg . . . . 27959 1 2 'RNA polymerase subunit Rpo4' 'natural abundance' . . . . . . 9 . . mg . . . . 27959 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27959 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 130 . mM 27959 1 pH 7.9 . pH 27959 1 pressure 1 . atm 27959 1 temperature 273 . K 27959 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27959 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 130 . mM 27959 2 pH 7.9 . pH 27959 2 pressure 1 . atm 27959 2 temperature 273 . K 27959 2 stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr _Software.Sf_category software _Software.Sf_framecode CCPNmr _Software.Entry_ID 27959 _Software.ID 1 _Software.Type . _Software.Name CCPNmr _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27959 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27959 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27959 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27959 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27959 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27959 1 2 spectrometer_2 Bruker Avance . 850 . . . 27959 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 27959 _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 '3D NCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 2 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 3 '3D CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 4 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 5 '3D NcoCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 6 '3D CANcoCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 7 '3D CCC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 8 '2D CC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 9 '2D NCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27959 1 10 '3D hNCAH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27959 1 11 '3D hCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27959 1 12 '3D hCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27959 1 13 '2D hNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27959 1 14 '2D hCH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27959 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 27959 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27959 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27959 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27959 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACB' . . . 27959 1 2 '3D NCACX' . . . 27959 1 3 '3D CANCO' . . . 27959 1 4 '3D NCOCX' . . . 27959 1 5 '3D NcoCACB' . . . 27959 1 6 '3D CANcoCA' . . . 27959 1 7 '3D CCC' . . . 27959 1 8 '2D CC' . . . 27959 1 9 '2D NCA' . . . 27959 1 10 '3D hNCAH' . . . 27959 1 11 '3D hCANH' . . . 27959 1 12 '3D hCONH' . . . 27959 1 13 '2D hNH' . . . 27959 1 14 '2D hCH' . . . 27959 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 172.167 0.023 . 1 . . . . . 1 Met C . 27959 1 2 . 1 1 1 1 MET CA C 13 52.744 0.050 . 1 . . . . . 1 Met CA . 27959 1 3 . 1 1 1 1 MET CB C 13 32.441 0.051 . 1 . . . . . 1 Met CB . 27959 1 4 . 1 1 2 2 TYR H H 1 9.389 0.004 . 1 . . . . . 2 Tyr H . 27959 1 5 . 1 1 2 2 TYR HA H 1 5.401 0.000 . 1 . . . . . 2 Tyr HA . 27959 1 6 . 1 1 2 2 TYR C C 13 175.232 0.111 . 1 . . . . . 2 Tyr C . 27959 1 7 . 1 1 2 2 TYR CA C 13 57.899 0.110 . 1 . . . . . 2 Tyr CA . 27959 1 8 . 1 1 2 2 TYR CB C 13 41.150 0.140 . 1 . . . . . 2 Tyr CB . 27959 1 9 . 1 1 2 2 TYR CE1 C 13 118.340 0.000 . 1 . . . . . 2 Tyr CE1 . 27959 1 10 . 1 1 2 2 TYR CE2 C 13 118.340 0.000 . 1 . . . . . 2 Tyr CE2 . 27959 1 11 . 1 1 2 2 TYR N N 15 120.088 0.113 . 1 . . . . . 2 Tyr N . 27959 1 12 . 1 1 3 3 LYS H H 1 7.650 0.000 . 1 . . . . . 3 Lys H . 27959 1 13 . 1 1 3 3 LYS HA H 1 5.251 0.000 . 1 . . . . . 3 Lys HA . 27959 1 14 . 1 1 3 3 LYS C C 13 175.021 0.098 . 1 . . . . . 3 Lys C . 27959 1 15 . 1 1 3 3 LYS CA C 13 54.656 0.125 . 1 . . . . . 3 Lys CA . 27959 1 16 . 1 1 3 3 LYS CB C 13 38.460 0.045 . 1 . . . . . 3 Lys CB . 27959 1 17 . 1 1 3 3 LYS CG C 13 24.757 0.000 . 1 . . . . . 3 Lys CG . 27959 1 18 . 1 1 3 3 LYS CD C 13 30.361 0.000 . 1 . . . . . 3 Lys CD . 27959 1 19 . 1 1 3 3 LYS N N 15 118.476 0.163 . 1 . . . . . 3 Lys N . 27959 1 20 . 1 1 4 4 ILE H H 1 9.001 0.000 . 1 . . . . . 4 Ile H . 27959 1 21 . 1 1 4 4 ILE HA H 1 5.165 0.000 . 1 . . . . . 4 Ile HA . 27959 1 22 . 1 1 4 4 ILE C C 13 175.794 0.063 . 1 . . . . . 4 Ile C . 27959 1 23 . 1 1 4 4 ILE CA C 13 59.160 0.077 . 1 . . . . . 4 Ile CA . 27959 1 24 . 1 1 4 4 ILE CB C 13 39.631 0.061 . 1 . . . . . 4 Ile CB . 27959 1 25 . 1 1 4 4 ILE N N 15 120.401 0.119 . 1 . . . . . 4 Ile N . 27959 1 26 . 1 1 5 5 LEU H H 1 8.534 0.000 . 1 . . . . . 5 Leu H . 27959 1 27 . 1 1 5 5 LEU HA H 1 4.958 0.000 . 1 . . . . . 5 Leu HA . 27959 1 28 . 1 1 5 5 LEU C C 13 174.996 0.033 . 1 . . . . . 5 Leu C . 27959 1 29 . 1 1 5 5 LEU CA C 13 52.873 0.054 . 1 . . . . . 5 Leu CA . 27959 1 30 . 1 1 5 5 LEU CB C 13 44.240 0.003 . 1 . . . . . 5 Leu CB . 27959 1 31 . 1 1 5 5 LEU CG C 13 28.233 0.000 . 1 . . . . . 5 Leu CG . 27959 1 32 . 1 1 5 5 LEU N N 15 127.536 0.147 . 1 . . . . . 5 Leu N . 27959 1 33 . 1 1 6 6 GLU H H 1 8.424 0.010 . 1 . . . . . 6 Glu H . 27959 1 34 . 1 1 6 6 GLU HA H 1 4.756 0.000 . 1 . . . . . 6 Glu HA . 27959 1 35 . 1 1 6 6 GLU C C 13 174.750 0.034 . 1 . . . . . 6 Glu C . 27959 1 36 . 1 1 6 6 GLU CA C 13 54.850 0.076 . 1 . . . . . 6 Glu CA . 27959 1 37 . 1 1 6 6 GLU CB C 13 31.410 0.026 . 1 . . . . . 6 Glu CB . 27959 1 38 . 1 1 6 6 GLU CG C 13 37.259 0.019 . 1 . . . . . 6 Glu CG . 27959 1 39 . 1 1 6 6 GLU CD C 13 182.115 0.000 . 1 . . . . . 6 Glu CD . 27959 1 40 . 1 1 6 6 GLU N N 15 124.198 0.064 . 1 . . . . . 6 Glu N . 27959 1 41 . 1 1 7 7 ILE H H 1 9.100 0.000 . 1 . . . . . 7 Ile H . 27959 1 42 . 1 1 7 7 ILE C C 13 173.505 0.097 . 1 . . . . . 7 Ile C . 27959 1 43 . 1 1 7 7 ILE CA C 13 59.319 0.177 . 1 . . . . . 7 Ile CA . 27959 1 44 . 1 1 7 7 ILE CB C 13 39.781 0.174 . 1 . . . . . 7 Ile CB . 27959 1 45 . 1 1 7 7 ILE N N 15 127.075 0.150 . 1 . . . . . 7 Ile N . 27959 1 46 . 1 1 8 8 ALA H H 1 8.697 0.000 . 1 . . . . . 8 Ala H . 27959 1 47 . 1 1 8 8 ALA HA H 1 5.451 0.000 . 1 . . . . . 8 Ala HA . 27959 1 48 . 1 1 8 8 ALA C C 13 176.511 0.105 . 1 . . . . . 8 Ala C . 27959 1 49 . 1 1 8 8 ALA CA C 13 50.069 0.068 . 1 . . . . . 8 Ala CA . 27959 1 50 . 1 1 8 8 ALA CB C 13 20.834 0.042 . 1 . . . . . 8 Ala CB . 27959 1 51 . 1 1 8 8 ALA N N 15 127.290 0.190 . 1 . . . . . 8 Ala N . 27959 1 52 . 1 1 9 9 ASP H H 1 9.347 0.000 . 1 . . . . . 9 Asp H . 27959 1 53 . 1 1 9 9 ASP HA H 1 5.068 0.000 . 1 . . . . . 9 Asp HA . 27959 1 54 . 1 1 9 9 ASP C C 13 175.126 0.056 . 1 . . . . . 9 Asp C . 27959 1 55 . 1 1 9 9 ASP CA C 13 52.058 0.140 . 1 . . . . . 9 Asp CA . 27959 1 56 . 1 1 9 9 ASP CB C 13 46.851 0.141 . 1 . . . . . 9 Asp CB . 27959 1 57 . 1 1 9 9 ASP N N 15 121.564 0.128 . 1 . . . . . 9 Asp N . 27959 1 58 . 1 1 10 10 VAL H H 1 9.148 0.000 . 1 . . . . . 10 Val H . 27959 1 59 . 1 1 10 10 VAL HA H 1 4.824 0.000 . 1 . . . . . 10 Val HA . 27959 1 60 . 1 1 10 10 VAL C C 13 175.484 0.056 . 1 . . . . . 10 Val C . 27959 1 61 . 1 1 10 10 VAL CA C 13 61.960 0.124 . 1 . . . . . 10 Val CA . 27959 1 62 . 1 1 10 10 VAL CB C 13 34.651 0.000 . 1 . . . . . 10 Val CB . 27959 1 63 . 1 1 10 10 VAL CG1 C 13 21.775 0.036 . 1 . . . . . 10 Val CG1 . 27959 1 64 . 1 1 10 10 VAL N N 15 122.418 0.083 . 1 . . . . . 10 Val N . 27959 1 65 . 1 1 11 11 VAL H H 1 9.083 0.000 . 1 . . . . . 11 Val H . 27959 1 66 . 1 1 11 11 VAL HA H 1 4.457 0.000 . 1 . . . . . 11 Val HA . 27959 1 67 . 1 1 11 11 VAL C C 13 175.165 0.018 . 1 . . . . . 11 Val C . 27959 1 68 . 1 1 11 11 VAL CA C 13 59.890 0.111 . 1 . . . . . 11 Val CA . 27959 1 69 . 1 1 11 11 VAL CB C 13 34.630 0.110 . 1 . . . . . 11 Val CB . 27959 1 70 . 1 1 11 11 VAL CG1 C 13 21.796 0.000 . 1 . . . . . 11 Val CG1 . 27959 1 71 . 1 1 11 11 VAL N N 15 126.674 0.177 . 1 . . . . . 11 Val N . 27959 1 72 . 1 1 21 21 ASP C C 13 177.627 0.091 . 1 . . . . . 21 Asp C . 27959 1 73 . 1 1 21 21 ASP CA C 13 55.604 0.068 . 1 . . . . . 21 Asp CA . 27959 1 74 . 1 1 21 21 ASP CB C 13 42.055 0.000 . 1 . . . . . 21 Asp CB . 27959 1 75 . 1 1 22 22 LEU H H 1 8.747 0.001 . 1 . . . . . 22 Leu H . 27959 1 76 . 1 1 22 22 LEU HA H 1 3.993 0.000 . 1 . . . . . 22 Leu HA . 27959 1 77 . 1 1 22 22 LEU C C 13 177.669 0.099 . 1 . . . . . 22 Leu C . 27959 1 78 . 1 1 22 22 LEU CA C 13 58.182 0.101 . 1 . . . . . 22 Leu CA . 27959 1 79 . 1 1 22 22 LEU CB C 13 42.093 0.067 . 1 . . . . . 22 Leu CB . 27959 1 80 . 1 1 22 22 LEU CG C 13 26.907 0.059 . 1 . . . . . 22 Leu CG . 27959 1 81 . 1 1 22 22 LEU CD1 C 13 22.523 0.000 . 1 . . . . . 22 Leu CD1 . 27959 1 82 . 1 1 22 22 LEU N N 15 131.821 0.232 . 1 . . . . . 22 Leu N . 27959 1 83 . 1 1 23 23 LYS H H 1 8.170 0.001 . 1 . . . . . 23 Lys H . 27959 1 84 . 1 1 23 23 LYS HA H 1 3.696 0.000 . 1 . . . . . 23 Lys HA . 27959 1 85 . 1 1 23 23 LYS C C 13 178.775 0.077 . 1 . . . . . 23 Lys C . 27959 1 86 . 1 1 23 23 LYS CA C 13 60.737 0.090 . 1 . . . . . 23 Lys CA . 27959 1 87 . 1 1 23 23 LYS CB C 13 31.356 0.044 . 1 . . . . . 23 Lys CB . 27959 1 88 . 1 1 23 23 LYS CG C 13 25.845 0.058 . 1 . . . . . 23 Lys CG . 27959 1 89 . 1 1 23 23 LYS N N 15 118.928 0.209 . 1 . . . . . 23 Lys N . 27959 1 90 . 1 1 24 24 GLU H H 1 8.089 0.000 . 1 . . . . . 24 Glu H . 27959 1 91 . 1 1 24 24 GLU C C 13 179.451 0.034 . 1 . . . . . 24 Glu C . 27959 1 92 . 1 1 24 24 GLU CA C 13 59.069 0.148 . 1 . . . . . 24 Glu CA . 27959 1 93 . 1 1 24 24 GLU CB C 13 29.493 0.060 . 1 . . . . . 24 Glu CB . 27959 1 94 . 1 1 24 24 GLU CD C 13 183.109 0.000 . 1 . . . . . 24 Glu CD . 27959 1 95 . 1 1 24 24 GLU N N 15 118.728 0.319 . 1 . . . . . 24 Glu N . 27959 1 96 . 1 1 25 25 THR H H 1 8.212 0.000 . 1 . . . . . 25 Thr H . 27959 1 97 . 1 1 25 25 THR HA H 1 3.804 0.000 . 1 . . . . . 25 Thr HA . 27959 1 98 . 1 1 25 25 THR C C 13 176.396 0.107 . 1 . . . . . 25 Thr C . 27959 1 99 . 1 1 25 25 THR CA C 13 66.795 0.095 . 1 . . . . . 25 Thr CA . 27959 1 100 . 1 1 25 25 THR CB C 13 68.622 0.032 . 1 . . . . . 25 Thr CB . 27959 1 101 . 1 1 25 25 THR CG2 C 13 21.942 0.000 . 1 . . . . . 25 Thr CG2 . 27959 1 102 . 1 1 25 25 THR N N 15 118.114 0.272 . 1 . . . . . 25 Thr N . 27959 1 103 . 1 1 26 26 VAL H H 1 8.773 0.000 . 1 . . . . . 26 Val H . 27959 1 104 . 1 1 26 26 VAL HA H 1 3.451 0.000 . 1 . . . . . 26 Val HA . 27959 1 105 . 1 1 26 26 VAL C C 13 177.085 0.000 . 1 . . . . . 26 Val C . 27959 1 106 . 1 1 26 26 VAL CA C 13 66.861 0.072 . 1 . . . . . 26 Val CA . 27959 1 107 . 1 1 26 26 VAL CB C 13 30.983 0.000 . 1 . . . . . 26 Val CB . 27959 1 108 . 1 1 26 26 VAL CG1 C 13 22.804 0.000 . 1 . . . . . 26 Val CG1 . 27959 1 109 . 1 1 26 26 VAL N N 15 119.982 0.285 . 1 . . . . . 26 Val N . 27959 1 110 . 1 1 27 27 LYS H H 1 8.456 0.001 . 1 . . . . . 27 Lys H . 27959 1 111 . 1 1 27 27 LYS HA H 1 3.511 0.000 . 1 . . . . . 27 Lys HA . 27959 1 112 . 1 1 27 27 LYS C C 13 177.529 0.069 . 1 . . . . . 27 Lys C . 27959 1 113 . 1 1 27 27 LYS CA C 13 61.186 0.110 . 1 . . . . . 27 Lys CA . 27959 1 114 . 1 1 27 27 LYS CB C 13 32.292 0.005 . 1 . . . . . 27 Lys CB . 27959 1 115 . 1 1 27 27 LYS CG C 13 25.996 0.024 . 1 . . . . . 27 Lys CG . 27959 1 116 . 1 1 27 27 LYS CD C 13 29.899 0.000 . 1 . . . . . 27 Lys CD . 27959 1 117 . 1 1 27 27 LYS N N 15 119.921 0.123 . 1 . . . . . 27 Lys N . 27959 1 118 . 1 1 28 28 LYS H H 1 7.780 0.000 . 1 . . . . . 28 Lys H . 27959 1 119 . 1 1 28 28 LYS HA H 1 4.100 0.000 . 1 . . . . . 28 Lys HA . 27959 1 120 . 1 1 28 28 LYS C C 13 179.239 0.084 . 1 . . . . . 28 Lys C . 27959 1 121 . 1 1 28 28 LYS CA C 13 59.734 0.120 . 1 . . . . . 28 Lys CA . 27959 1 122 . 1 1 28 28 LYS CB C 13 32.109 0.056 . 1 . . . . . 28 Lys CB . 27959 1 123 . 1 1 28 28 LYS CG C 13 25.165 0.089 . 1 . . . . . 28 Lys CG . 27959 1 124 . 1 1 28 28 LYS N N 15 117.942 0.112 . 1 . . . . . 28 Lys N . 27959 1 125 . 1 1 29 29 ILE H H 1 7.835 0.000 . 1 . . . . . 29 Ile H . 27959 1 126 . 1 1 29 29 ILE HA H 1 3.658 0.000 . 1 . . . . . 29 Ile HA . 27959 1 127 . 1 1 29 29 ILE C C 13 179.137 0.051 . 1 . . . . . 29 Ile C . 27959 1 128 . 1 1 29 29 ILE CA C 13 65.428 0.100 . 1 . . . . . 29 Ile CA . 27959 1 129 . 1 1 29 29 ILE CB C 13 38.670 0.116 . 1 . . . . . 29 Ile CB . 27959 1 130 . 1 1 29 29 ILE CG1 C 13 29.699 0.000 . 1 . . . . . 29 Ile CG1 . 27959 1 131 . 1 1 29 29 ILE CG2 C 13 17.429 0.145 . 1 . . . . . 29 Ile CG2 . 27959 1 132 . 1 1 29 29 ILE CD1 C 13 15.314 0.050 . 1 . . . . . 29 Ile CD1 . 27959 1 133 . 1 1 29 29 ILE N N 15 120.956 0.209 . 1 . . . . . 29 Ile N . 27959 1 134 . 1 1 30 30 LEU H H 1 8.310 0.000 . 1 . . . . . 30 Leu H . 27959 1 135 . 1 1 30 30 LEU HA H 1 3.752 0.000 . 1 . . . . . 30 Leu HA . 27959 1 136 . 1 1 30 30 LEU C C 13 178.908 0.104 . 1 . . . . . 30 Leu C . 27959 1 137 . 1 1 30 30 LEU CA C 13 57.543 0.074 . 1 . . . . . 30 Leu CA . 27959 1 138 . 1 1 30 30 LEU CB C 13 42.260 0.006 . 1 . . . . . 30 Leu CB . 27959 1 139 . 1 1 30 30 LEU CD1 C 13 25.996 0.078 . 2 . . . . . 30 Leu CD1 . 27959 1 140 . 1 1 30 30 LEU CD2 C 13 23.483 0.000 . 2 . . . . . 30 Leu CD2 . 27959 1 141 . 1 1 30 30 LEU N N 15 119.691 0.158 . 1 . . . . . 30 Leu N . 27959 1 142 . 1 1 31 31 MET H H 1 8.645 0.000 . 1 . . . . . 31 Met H . 27959 1 143 . 1 1 31 31 MET C C 13 178.058 0.088 . 1 . . . . . 31 Met C . 27959 1 144 . 1 1 31 31 MET CA C 13 60.312 0.103 . 1 . . . . . 31 Met CA . 27959 1 145 . 1 1 31 31 MET CB C 13 34.011 0.023 . 1 . . . . . 31 Met CB . 27959 1 146 . 1 1 31 31 MET CG C 13 32.254 0.068 . 1 . . . . . 31 Met CG . 27959 1 147 . 1 1 31 31 MET N N 15 119.751 0.072 . 1 . . . . . 31 Met N . 27959 1 148 . 1 1 32 32 GLU H H 1 7.630 0.001 . 1 . . . . . 32 Glu H . 27959 1 149 . 1 1 32 32 GLU C C 13 178.240 0.037 . 1 . . . . . 32 Glu C . 27959 1 150 . 1 1 32 32 GLU CA C 13 58.702 0.050 . 1 . . . . . 32 Glu CA . 27959 1 151 . 1 1 32 32 GLU CB C 13 29.391 0.030 . 1 . . . . . 32 Glu CB . 27959 1 152 . 1 1 32 32 GLU CG C 13 36.273 0.037 . 1 . . . . . 32 Glu CG . 27959 1 153 . 1 1 32 32 GLU CD C 13 183.591 0.025 . 1 . . . . . 32 Glu CD . 27959 1 154 . 1 1 32 32 GLU N N 15 117.450 0.120 . 1 . . . . . 32 Glu N . 27959 1 155 . 1 1 33 33 LYS H H 1 8.157 0.000 . 1 . . . . . 33 Lys H . 27959 1 156 . 1 1 33 33 LYS HA H 1 3.933 0.000 . 1 . . . . . 33 Lys HA . 27959 1 157 . 1 1 33 33 LYS C C 13 178.269 0.129 . 1 . . . . . 33 Lys C . 27959 1 158 . 1 1 33 33 LYS CA C 13 59.107 0.079 . 1 . . . . . 33 Lys CA . 27959 1 159 . 1 1 33 33 LYS CB C 13 33.966 0.093 . 1 . . . . . 33 Lys CB . 27959 1 160 . 1 1 33 33 LYS CG C 13 25.194 0.011 . 1 . . . . . 33 Lys CG . 27959 1 161 . 1 1 33 33 LYS CE C 13 42.072 0.000 . 1 . . . . . 33 Lys CE . 27959 1 162 . 1 1 33 33 LYS N N 15 117.708 0.241 . 1 . . . . . 33 Lys N . 27959 1 163 . 1 1 34 34 TYR H H 1 8.037 0.005 . 1 . . . . . 34 Tyr H . 27959 1 164 . 1 1 34 34 TYR HA H 1 4.883 0.000 . 1 . . . . . 34 Tyr HA . 27959 1 165 . 1 1 34 34 TYR C C 13 177.036 0.000 . 1 . . . . . 34 Tyr C . 27959 1 166 . 1 1 34 34 TYR CA C 13 58.483 0.112 . 1 . . . . . 34 Tyr CA . 27959 1 167 . 1 1 34 34 TYR CB C 13 41.161 0.000 . 1 . . . . . 34 Tyr CB . 27959 1 168 . 1 1 34 34 TYR N N 15 111.599 0.183 . 1 . . . . . 34 Tyr N . 27959 1 169 . 1 1 35 35 GLU H H 1 7.883 0.001 . 1 . . . . . 35 Glu H . 27959 1 170 . 1 1 35 35 GLU HA H 1 3.681 0.000 . 1 . . . . . 35 Glu HA . 27959 1 171 . 1 1 35 35 GLU C C 13 178.977 0.082 . 1 . . . . . 35 Glu C . 27959 1 172 . 1 1 35 35 GLU CA C 13 59.430 0.106 . 1 . . . . . 35 Glu CA . 27959 1 173 . 1 1 35 35 GLU CB C 13 28.848 0.094 . 1 . . . . . 35 Glu CB . 27959 1 174 . 1 1 35 35 GLU CG C 13 38.466 0.034 . 1 . . . . . 35 Glu CG . 27959 1 175 . 1 1 35 35 GLU CD C 13 181.455 0.022 . 1 . . . . . 35 Glu CD . 27959 1 176 . 1 1 35 35 GLU N N 15 115.504 0.131 . 1 . . . . . 35 Glu N . 27959 1 177 . 1 1 36 36 GLY H H 1 9.030 0.009 . 1 . . . . . 36 Gly H . 27959 1 178 . 1 1 36 36 GLY HA2 H 1 3.387 0.000 . 2 . . . . . 36 Gly HA2 . 27959 1 179 . 1 1 36 36 GLY HA3 H 1 4.188 0.000 . 2 . . . . . 36 Gly HA3 . 27959 1 180 . 1 1 36 36 GLY C C 13 173.378 0.066 . 1 . . . . . 36 Gly C . 27959 1 181 . 1 1 36 36 GLY CA C 13 45.118 0.088 . 1 . . . . . 36 Gly CA . 27959 1 182 . 1 1 36 36 GLY N N 15 109.797 0.241 . 1 . . . . . 36 Gly N . 27959 1 183 . 1 1 37 37 ARG H H 1 7.279 0.009 . 1 . . . . . 37 Arg H . 27959 1 184 . 1 1 37 37 ARG CA C 13 55.352 0.069 . 1 . . . . . 37 Arg CA . 27959 1 185 . 1 1 37 37 ARG CD C 13 45.181 0.000 . 1 . . . . . 37 Arg CD . 27959 1 186 . 1 1 37 37 ARG N N 15 118.477 0.125 . 1 . . . . . 37 Arg N . 27959 1 187 . 1 1 42 42 VAL C C 13 178.402 0.000 . 1 . . . . . 42 Val C . 27959 1 188 . 1 1 42 42 VAL N N 15 121.502 0.000 . 1 . . . . . 42 Val N . 27959 1 189 . 1 1 43 43 GLY H H 1 8.013 0.014 . 1 . . . . . 43 Gly H . 27959 1 190 . 1 1 43 43 GLY HA2 H 1 4.486 0.000 . 1 . . . . . 43 Gly HA2 . 27959 1 191 . 1 1 43 43 GLY C C 13 172.322 0.029 . 1 . . . . . 43 Gly C . 27959 1 192 . 1 1 43 43 GLY CA C 13 43.592 0.080 . 1 . . . . . 43 Gly CA . 27959 1 193 . 1 1 43 43 GLY N N 15 104.488 0.099 . 1 . . . . . 43 Gly N . 27959 1 194 . 1 1 44 44 PHE H H 1 9.504 0.000 . 1 . . . . . 44 Phe H . 27959 1 195 . 1 1 44 44 PHE C C 13 176.383 0.014 . 1 . . . . . 44 Phe C . 27959 1 196 . 1 1 44 44 PHE CA C 13 56.615 0.115 . 1 . . . . . 44 Phe CA . 27959 1 197 . 1 1 44 44 PHE CB C 13 41.999 0.073 . 1 . . . . . 44 Phe CB . 27959 1 198 . 1 1 44 44 PHE CD1 C 13 131.347 0.000 . 1 . . . . . 44 Phe CD1 . 27959 1 199 . 1 1 44 44 PHE CD2 C 13 131.347 0.000 . 1 . . . . . 44 Phe CD2 . 27959 1 200 . 1 1 44 44 PHE N N 15 121.589 0.106 . 1 . . . . . 44 Phe N . 27959 1 201 . 1 1 45 45 VAL H H 1 8.712 0.000 . 1 . . . . . 45 Val H . 27959 1 202 . 1 1 45 45 VAL HA H 1 3.973 0.000 . 1 . . . . . 45 Val HA . 27959 1 203 . 1 1 45 45 VAL C C 13 174.756 0.071 . 1 . . . . . 45 Val C . 27959 1 204 . 1 1 45 45 VAL CA C 13 64.251 0.131 . 1 . . . . . 45 Val CA . 27959 1 205 . 1 1 45 45 VAL CB C 13 30.485 0.079 . 1 . . . . . 45 Val CB . 27959 1 206 . 1 1 45 45 VAL CG1 C 13 20.651 0.081 . 1 . . . . . 45 Val CG1 . 27959 1 207 . 1 1 45 45 VAL N N 15 129.387 0.255 . 1 . . . . . 45 Val N . 27959 1 208 . 1 1 46 46 LEU H H 1 9.155 0.001 . 1 . . . . . 46 Leu H . 27959 1 209 . 1 1 46 46 LEU HA H 1 4.569 0.000 . 1 . . . . . 46 Leu HA . 27959 1 210 . 1 1 46 46 LEU C C 13 176.713 0.054 . 1 . . . . . 46 Leu C . 27959 1 211 . 1 1 46 46 LEU CA C 13 56.543 0.105 . 1 . . . . . 46 Leu CA . 27959 1 212 . 1 1 46 46 LEU CB C 13 44.475 0.069 . 1 . . . . . 46 Leu CB . 27959 1 213 . 1 1 46 46 LEU CG C 13 27.593 0.000 . 1 . . . . . 46 Leu CG . 27959 1 214 . 1 1 46 46 LEU CD1 C 13 21.477 0.000 . 1 . . . . . 46 Leu CD1 . 27959 1 215 . 1 1 46 46 LEU N N 15 130.950 0.129 . 1 . . . . . 46 Leu N . 27959 1 216 . 1 1 47 47 SER H H 1 7.503 0.005 . 1 . . . . . 47 Ser H . 27959 1 217 . 1 1 47 47 SER HA H 1 5.193 0.000 . 1 . . . . . 47 Ser HA . 27959 1 218 . 1 1 47 47 SER C C 13 176.605 0.027 . 1 . . . . . 47 Ser C . 27959 1 219 . 1 1 47 47 SER CA C 13 56.721 0.091 . 1 . . . . . 47 Ser CA . 27959 1 220 . 1 1 47 47 SER CB C 13 66.300 0.040 . 1 . . . . . 47 Ser CB . 27959 1 221 . 1 1 47 47 SER N N 15 106.881 0.079 . 1 . . . . . 47 Ser N . 27959 1 222 . 1 1 48 48 ILE H H 1 9.356 0.000 . 1 . . . . . 48 Ile H . 27959 1 223 . 1 1 48 48 ILE HA H 1 4.484 0.000 . 1 . . . . . 48 Ile HA . 27959 1 224 . 1 1 48 48 ILE C C 13 174.798 0.097 . 1 . . . . . 48 Ile C . 27959 1 225 . 1 1 48 48 ILE CA C 13 59.280 0.120 . 1 . . . . . 48 Ile CA . 27959 1 226 . 1 1 48 48 ILE CB C 13 33.582 0.089 . 1 . . . . . 48 Ile CB . 27959 1 227 . 1 1 48 48 ILE CG1 C 13 25.946 0.000 . 1 . . . . . 48 Ile CG1 . 27959 1 228 . 1 1 48 48 ILE CG2 C 13 21.379 0.000 . 1 . . . . . 48 Ile CG2 . 27959 1 229 . 1 1 48 48 ILE CD1 C 13 16.660 0.000 . 1 . . . . . 48 Ile CD1 . 27959 1 230 . 1 1 48 48 ILE N N 15 131.031 0.189 . 1 . . . . . 48 Ile N . 27959 1 231 . 1 1 49 49 VAL H H 1 8.903 0.001 . 1 . . . . . 49 Val H . 27959 1 232 . 1 1 49 49 VAL HA H 1 3.797 0.000 . 1 . . . . . 49 Val HA . 27959 1 233 . 1 1 49 49 VAL C C 13 175.841 0.109 . 1 . . . . . 49 Val C . 27959 1 234 . 1 1 49 49 VAL CA C 13 64.660 0.083 . 1 . . . . . 49 Val CA . 27959 1 235 . 1 1 49 49 VAL CB C 13 32.805 0.070 . 1 . . . . . 49 Val CB . 27959 1 236 . 1 1 49 49 VAL CG1 C 13 23.147 0.010 . 2 . . . . . 49 Val CG1 . 27959 1 237 . 1 1 49 49 VAL CG2 C 13 21.299 0.035 . 2 . . . . . 49 Val CG2 . 27959 1 238 . 1 1 49 49 VAL N N 15 130.306 0.077 . 1 . . . . . 49 Val N . 27959 1 239 . 1 1 50 50 ASP H H 1 7.488 0.008 . 1 . . . . . 50 Asp H . 27959 1 240 . 1 1 50 50 ASP HA H 1 4.770 0.000 . 1 . . . . . 50 Asp HA . 27959 1 241 . 1 1 50 50 ASP C C 13 174.864 0.050 . 1 . . . . . 50 Asp C . 27959 1 242 . 1 1 50 50 ASP CA C 13 53.143 0.063 . 1 . . . . . 50 Asp CA . 27959 1 243 . 1 1 50 50 ASP CB C 13 43.831 0.026 . 1 . . . . . 50 Asp CB . 27959 1 244 . 1 1 50 50 ASP CG C 13 179.706 0.001 . 1 . . . . . 50 Asp CG . 27959 1 245 . 1 1 50 50 ASP N N 15 112.528 0.164 . 1 . . . . . 50 Asp N . 27959 1 246 . 1 1 51 51 VAL H H 1 8.716 0.000 . 1 . . . . . 51 Val H . 27959 1 247 . 1 1 51 51 VAL HA H 1 4.165 0.000 . 1 . . . . . 51 Val HA . 27959 1 248 . 1 1 51 51 VAL C C 13 174.143 0.108 . 1 . . . . . 51 Val C . 27959 1 249 . 1 1 51 51 VAL CA C 13 62.602 0.067 . 1 . . . . . 51 Val CA . 27959 1 250 . 1 1 51 51 VAL CB C 13 32.763 0.049 . 1 . . . . . 51 Val CB . 27959 1 251 . 1 1 51 51 VAL CG1 C 13 22.166 0.025 . 2 . . . . . 51 Val CG1 . 27959 1 252 . 1 1 51 51 VAL CG2 C 13 21.226 0.050 . 2 . . . . . 51 Val CG2 . 27959 1 253 . 1 1 51 51 VAL N N 15 123.063 0.207 . 1 . . . . . 51 Val N . 27959 1 254 . 1 1 52 52 LYS H H 1 8.778 0.000 . 1 . . . . . 52 Lys H . 27959 1 255 . 1 1 52 52 LYS HA H 1 4.226 0.000 . 1 . . . . . 52 Lys HA . 27959 1 256 . 1 1 52 52 LYS C C 13 175.879 0.095 . 1 . . . . . 52 Lys C . 27959 1 257 . 1 1 52 52 LYS CA C 13 56.652 0.059 . 1 . . . . . 52 Lys CA . 27959 1 258 . 1 1 52 52 LYS CB C 13 32.665 0.124 . 1 . . . . . 52 Lys CB . 27959 1 259 . 1 1 52 52 LYS CG C 13 24.333 0.064 . 1 . . . . . 52 Lys CG . 27959 1 260 . 1 1 52 52 LYS N N 15 125.623 0.150 . 1 . . . . . 52 Lys N . 27959 1 261 . 1 1 53 53 ASP H H 1 7.699 0.016 . 1 . . . . . 53 Asp H . 27959 1 262 . 1 1 53 53 ASP HA H 1 4.718 0.000 . 1 . . . . . 53 Asp HA . 27959 1 263 . 1 1 53 53 ASP C C 13 174.151 0.090 . 1 . . . . . 53 Asp C . 27959 1 264 . 1 1 53 53 ASP CA C 13 54.547 0.051 . 1 . . . . . 53 Asp CA . 27959 1 265 . 1 1 53 53 ASP CB C 13 44.782 0.179 . 1 . . . . . 53 Asp CB . 27959 1 266 . 1 1 53 53 ASP CG C 13 179.580 0.039 . 1 . . . . . 53 Asp CG . 27959 1 267 . 1 1 53 53 ASP N N 15 116.421 0.140 . 1 . . . . . 53 Asp N . 27959 1 268 . 1 1 54 54 ILE H H 1 8.123 0.000 . 1 . . . . . 54 Ile H . 27959 1 269 . 1 1 54 54 ILE HA H 1 2.296 0.000 . 1 . . . . . 54 Ile HA . 27959 1 270 . 1 1 54 54 ILE C C 13 176.163 0.043 . 1 . . . . . 54 Ile C . 27959 1 271 . 1 1 54 54 ILE CA C 13 61.193 0.076 . 1 . . . . . 54 Ile CA . 27959 1 272 . 1 1 54 54 ILE CB C 13 40.570 0.104 . 1 . . . . . 54 Ile CB . 27959 1 273 . 1 1 54 54 ILE CG1 C 13 28.055 0.058 . 1 . . . . . 54 Ile CG1 . 27959 1 274 . 1 1 54 54 ILE CG2 C 13 17.652 0.018 . 1 . . . . . 54 Ile CG2 . 27959 1 275 . 1 1 54 54 ILE N N 15 122.744 0.243 . 1 . . . . . 54 Ile N . 27959 1 276 . 1 1 55 55 GLY H H 1 9.117 0.000 . 1 . . . . . 55 Gly H . 27959 1 277 . 1 1 55 55 GLY HA2 H 1 4.544 0.000 . 2 . . . . . 55 Gly HA2 . 27959 1 278 . 1 1 55 55 GLY HA3 H 1 3.702 0.000 . 2 . . . . . 55 Gly HA3 . 27959 1 279 . 1 1 55 55 GLY C C 13 173.254 0.061 . 1 . . . . . 55 Gly C . 27959 1 280 . 1 1 55 55 GLY CA C 13 44.111 0.069 . 1 . . . . . 55 Gly CA . 27959 1 281 . 1 1 55 55 GLY N N 15 114.600 0.263 . 1 . . . . . 55 Gly N . 27959 1 282 . 1 1 56 56 GLU H H 1 8.568 0.001 . 1 . . . . . 56 Glu H . 27959 1 283 . 1 1 56 56 GLU HA H 1 4.885 0.000 . 1 . . . . . 56 Glu HA . 27959 1 284 . 1 1 56 56 GLU C C 13 176.225 0.033 . 1 . . . . . 56 Glu C . 27959 1 285 . 1 1 56 56 GLU CA C 13 56.911 0.081 . 1 . . . . . 56 Glu CA . 27959 1 286 . 1 1 56 56 GLU CB C 13 30.225 0.085 . 1 . . . . . 56 Glu CB . 27959 1 287 . 1 1 56 56 GLU CD C 13 183.960 0.000 . 1 . . . . . 56 Glu CD . 27959 1 288 . 1 1 56 56 GLU N N 15 120.717 0.118 . 1 . . . . . 56 Glu N . 27959 1 289 . 1 1 57 57 GLY H H 1 8.594 0.012 . 1 . . . . . 57 Gly H . 27959 1 290 . 1 1 57 57 GLY CA C 13 43.576 0.002 . 1 . . . . . 57 Gly CA . 27959 1 291 . 1 1 57 57 GLY N N 15 111.682 0.058 . 1 . . . . . 57 Gly N . 27959 1 292 . 1 1 65 65 SER C C 13 174.647 0.000 . 1 . . . . . 65 Ser C . 27959 1 293 . 1 1 66 66 ALA H H 1 8.701 0.000 . 1 . . . . . 66 Ala H . 27959 1 294 . 1 1 66 66 ALA HA H 1 4.761 0.000 . 1 . . . . . 66 Ala HA . 27959 1 295 . 1 1 66 66 ALA CA C 13 49.930 0.088 . 1 . . . . . 66 Ala CA . 27959 1 296 . 1 1 66 66 ALA CB C 13 22.758 0.000 . 1 . . . . . 66 Ala CB . 27959 1 297 . 1 1 66 66 ALA N N 15 121.161 0.081 . 1 . . . . . 66 Ala N . 27959 1 298 . 1 1 67 67 TYR C C 13 172.882 0.000 . 1 . . . . . 67 Tyr C . 27959 1 299 . 1 1 67 67 TYR CA C 13 52.729 0.000 . 1 . . . . . 67 Tyr CA . 27959 1 300 . 1 1 68 68 HIS C C 13 173.005 0.020 . 1 . . . . . 68 His C . 27959 1 301 . 1 1 68 68 HIS CA C 13 50.484 0.061 . 1 . . . . . 68 His CA . 27959 1 302 . 1 1 68 68 HIS CB C 13 27.593 0.000 . 1 . . . . . 68 His CB . 27959 1 303 . 1 1 68 68 HIS N N 15 134.585 0.035 . 1 . . . . . 68 His N . 27959 1 304 . 1 1 69 69 PRO C C 13 176.576 0.000 . 1 . . . . . 69 Pro C . 27959 1 305 . 1 1 69 69 PRO CA C 13 62.437 0.068 . 1 . . . . . 69 Pro CA . 27959 1 306 . 1 1 69 69 PRO CB C 13 31.726 0.001 . 1 . . . . . 69 Pro CB . 27959 1 307 . 1 1 69 69 PRO N N 15 138.293 0.011 . 1 . . . . . 69 Pro N . 27959 1 308 . 1 1 70 70 VAL H H 1 9.066 0.000 . 1 . . . . . 70 Val H . 27959 1 309 . 1 1 70 70 VAL HA H 1 5.304 0.000 . 1 . . . . . 70 Val HA . 27959 1 310 . 1 1 70 70 VAL C C 13 174.739 0.127 . 1 . . . . . 70 Val C . 27959 1 311 . 1 1 70 70 VAL CA C 13 59.201 0.068 . 1 . . . . . 70 Val CA . 27959 1 312 . 1 1 70 70 VAL CB C 13 36.698 0.043 . 1 . . . . . 70 Val CB . 27959 1 313 . 1 1 70 70 VAL CG1 C 13 22.080 0.039 . 2 . . . . . 70 Val CG1 . 27959 1 314 . 1 1 70 70 VAL CG2 C 13 21.524 0.000 . 2 . . . . . 70 Val CG2 . 27959 1 315 . 1 1 70 70 VAL N N 15 119.468 0.272 . 1 . . . . . 70 Val N . 27959 1 316 . 1 1 71 71 VAL H H 1 9.013 0.001 . 1 . . . . . 71 Val H . 27959 1 317 . 1 1 71 71 VAL HA H 1 5.199 0.000 . 1 . . . . . 71 Val HA . 27959 1 318 . 1 1 71 71 VAL C C 13 175.830 0.060 . 1 . . . . . 71 Val C . 27959 1 319 . 1 1 71 71 VAL CA C 13 61.349 0.079 . 1 . . . . . 71 Val CA . 27959 1 320 . 1 1 71 71 VAL CB C 13 34.543 0.052 . 1 . . . . . 71 Val CB . 27959 1 321 . 1 1 71 71 VAL CG1 C 13 22.059 0.112 . 2 . . . . . 71 Val CG1 . 27959 1 322 . 1 1 71 71 VAL CG2 C 13 21.496 0.000 . 2 . . . . . 71 Val CG2 . 27959 1 323 . 1 1 71 71 VAL N N 15 123.190 0.156 . 1 . . . . . 71 Val N . 27959 1 324 . 1 1 72 72 PHE H H 1 8.210 0.000 . 1 . . . . . 72 Phe H . 27959 1 325 . 1 1 72 72 PHE HA H 1 5.425 0.000 . 1 . . . . . 72 Phe HA . 27959 1 326 . 1 1 72 72 PHE C C 13 171.440 0.044 . 1 . . . . . 72 Phe C . 27959 1 327 . 1 1 72 72 PHE CA C 13 54.716 0.045 . 1 . . . . . 72 Phe CA . 27959 1 328 . 1 1 72 72 PHE CB C 13 42.806 0.000 . 1 . . . . . 72 Phe CB . 27959 1 329 . 1 1 72 72 PHE N N 15 124.014 0.163 . 1 . . . . . 72 Phe N . 27959 1 330 . 1 1 73 73 GLU H H 1 8.628 0.016 . 1 . . . . . 73 Glu H . 27959 1 331 . 1 1 73 73 GLU HA H 1 5.670 0.000 . 1 . . . . . 73 Glu HA . 27959 1 332 . 1 1 73 73 GLU C C 13 177.197 0.071 . 1 . . . . . 73 Glu C . 27959 1 333 . 1 1 73 73 GLU CA C 13 53.618 0.095 . 1 . . . . . 73 Glu CA . 27959 1 334 . 1 1 73 73 GLU CB C 13 34.421 0.053 . 1 . . . . . 73 Glu CB . 27959 1 335 . 1 1 73 73 GLU CG C 13 37.198 0.000 . 1 . . . . . 73 Glu CG . 27959 1 336 . 1 1 73 73 GLU CD C 13 181.595 0.022 . 1 . . . . . 73 Glu CD . 27959 1 337 . 1 1 73 73 GLU N N 15 117.880 0.126 . 1 . . . . . 73 Glu N . 27959 1 338 . 1 1 74 74 THR H H 1 9.199 0.012 . 1 . . . . . 74 Thr H . 27959 1 339 . 1 1 74 74 THR HA H 1 5.428 0.000 . 1 . . . . . 74 Thr HA . 27959 1 340 . 1 1 74 74 THR C C 13 170.694 0.044 . 1 . . . . . 74 Thr C . 27959 1 341 . 1 1 74 74 THR CA C 13 58.908 0.075 . 1 . . . . . 74 Thr CA . 27959 1 342 . 1 1 74 74 THR CB C 13 70.979 0.024 . 1 . . . . . 74 Thr CB . 27959 1 343 . 1 1 74 74 THR CG2 C 13 19.972 0.070 . 1 . . . . . 74 Thr CG2 . 27959 1 344 . 1 1 74 74 THR N N 15 117.326 0.203 . 1 . . . . . 74 Thr N . 27959 1 345 . 1 1 75 75 LEU H H 1 8.580 0.001 . 1 . . . . . 75 Leu H . 27959 1 346 . 1 1 75 75 LEU HA H 1 5.401 0.000 . 1 . . . . . 75 Leu HA . 27959 1 347 . 1 1 75 75 LEU C C 13 175.075 0.037 . 1 . . . . . 75 Leu C . 27959 1 348 . 1 1 75 75 LEU CA C 13 53.873 0.112 . 1 . . . . . 75 Leu CA . 27959 1 349 . 1 1 75 75 LEU CB C 13 44.001 0.178 . 1 . . . . . 75 Leu CB . 27959 1 350 . 1 1 75 75 LEU CG C 13 28.092 0.000 . 1 . . . . . 75 Leu CG . 27959 1 351 . 1 1 75 75 LEU CD1 C 13 26.964 0.014 . 2 . . . . . 75 Leu CD1 . 27959 1 352 . 1 1 75 75 LEU CD2 C 13 23.673 0.067 . 2 . . . . . 75 Leu CD2 . 27959 1 353 . 1 1 75 75 LEU N N 15 129.877 0.156 . 1 . . . . . 75 Leu N . 27959 1 354 . 1 1 76 76 VAL H H 1 9.691 0.000 . 1 . . . . . 76 Val H . 27959 1 355 . 1 1 76 76 VAL HA H 1 5.558 0.000 . 1 . . . . . 76 Val HA . 27959 1 356 . 1 1 76 76 VAL C C 13 174.414 0.074 . 1 . . . . . 76 Val C . 27959 1 357 . 1 1 76 76 VAL CA C 13 58.631 0.114 . 1 . . . . . 76 Val CA . 27959 1 358 . 1 1 76 76 VAL CB C 13 35.088 0.090 . 1 . . . . . 76 Val CB . 27959 1 359 . 1 1 76 76 VAL CG1 C 13 21.497 0.004 . 2 . . . . . 76 Val CG1 . 27959 1 360 . 1 1 76 76 VAL CG2 C 13 19.918 0.046 . 2 . . . . . 76 Val CG2 . 27959 1 361 . 1 1 76 76 VAL N N 15 121.693 0.251 . 1 . . . . . 76 Val N . 27959 1 362 . 1 1 77 77 TYR H H 1 8.709 0.000 . 1 . . . . . 77 Tyr H . 27959 1 363 . 1 1 77 77 TYR C C 13 173.022 0.082 . 1 . . . . . 77 Tyr C . 27959 1 364 . 1 1 77 77 TYR CA C 13 56.096 0.098 . 1 . . . . . 77 Tyr CA . 27959 1 365 . 1 1 77 77 TYR CB C 13 41.208 0.027 . 1 . . . . . 77 Tyr CB . 27959 1 366 . 1 1 77 77 TYR N N 15 120.660 0.118 . 1 . . . . . 77 Tyr N . 27959 1 367 . 1 1 78 78 ILE H H 1 8.013 0.010 . 1 . . . . . 78 Ile H . 27959 1 368 . 1 1 78 78 ILE C C 13 171.512 0.141 . 1 . . . . . 78 Ile C . 27959 1 369 . 1 1 78 78 ILE CA C 13 54.193 0.000 . 1 . . . . . 78 Ile CA . 27959 1 370 . 1 1 78 78 ILE CB C 13 42.014 0.012 . 1 . . . . . 78 Ile CB . 27959 1 371 . 1 1 78 78 ILE CG1 C 13 28.333 0.000 . 1 . . . . . 78 Ile CG1 . 27959 1 372 . 1 1 78 78 ILE CG2 C 13 16.884 0.033 . 1 . . . . . 78 Ile CG2 . 27959 1 373 . 1 1 78 78 ILE N N 15 125.459 0.165 . 1 . . . . . 78 Ile N . 27959 1 374 . 1 1 79 79 PRO C C 13 174.912 0.000 . 1 . . . . . 79 Pro C . 27959 1 375 . 1 1 79 79 PRO CA C 13 61.274 0.088 . 1 . . . . . 79 Pro CA . 27959 1 376 . 1 1 79 79 PRO CB C 13 30.989 0.174 . 1 . . . . . 79 Pro CB . 27959 1 377 . 1 1 79 79 PRO N N 15 139.694 0.214 . 1 . . . . . 79 Pro N . 27959 1 378 . 1 1 80 80 GLU H H 1 7.969 0.000 . 1 . . . . . 80 Glu H . 27959 1 379 . 1 1 80 80 GLU HA H 1 4.449 0.000 . 1 . . . . . 80 Glu HA . 27959 1 380 . 1 1 80 80 GLU C C 13 175.434 0.028 . 1 . . . . . 80 Glu C . 27959 1 381 . 1 1 80 80 GLU CA C 13 54.147 0.102 . 1 . . . . . 80 Glu CA . 27959 1 382 . 1 1 80 80 GLU CB C 13 32.540 0.061 . 1 . . . . . 80 Glu CB . 27959 1 383 . 1 1 80 80 GLU CG C 13 37.144 0.162 . 1 . . . . . 80 Glu CG . 27959 1 384 . 1 1 80 80 GLU CD C 13 183.338 0.000 . 1 . . . . . 80 Glu CD . 27959 1 385 . 1 1 80 80 GLU N N 15 118.380 0.039 . 1 . . . . . 80 Glu N . 27959 1 386 . 1 1 81 81 MET H H 1 8.505 0.000 . 1 . . . . . 81 Met H . 27959 1 387 . 1 1 81 81 MET HA H 1 3.702 0.000 . 1 . . . . . 81 Met HA . 27959 1 388 . 1 1 81 81 MET C C 13 177.550 0.040 . 1 . . . . . 81 Met C . 27959 1 389 . 1 1 81 81 MET CA C 13 55.504 0.157 . 1 . . . . . 81 Met CA . 27959 1 390 . 1 1 81 81 MET CB C 13 29.639 0.075 . 1 . . . . . 81 Met CB . 27959 1 391 . 1 1 81 81 MET CG C 13 32.279 0.024 . 1 . . . . . 81 Met CG . 27959 1 392 . 1 1 81 81 MET N N 15 121.233 0.207 . 1 . . . . . 81 Met N . 27959 1 393 . 1 1 82 82 TYR HA H 1 4.447 0.000 . 1 . . . . . 82 Tyr HA . 27959 1 394 . 1 1 82 82 TYR C C 13 174.699 0.046 . 1 . . . . . 82 Tyr C . 27959 1 395 . 1 1 82 82 TYR CA C 13 58.468 0.142 . 1 . . . . . 82 Tyr CA . 27959 1 396 . 1 1 82 82 TYR N N 15 116.927 0.150 . 1 . . . . . 82 Tyr N . 27959 1 397 . 1 1 83 83 GLU H H 1 7.885 0.022 . 1 . . . . . 83 Glu H . 27959 1 398 . 1 1 83 83 GLU HA H 1 4.075 0.000 . 1 . . . . . 83 Glu HA . 27959 1 399 . 1 1 83 83 GLU C C 13 175.223 0.043 . 1 . . . . . 83 Glu C . 27959 1 400 . 1 1 83 83 GLU CA C 13 56.832 0.093 . 1 . . . . . 83 Glu CA . 27959 1 401 . 1 1 83 83 GLU CB C 13 31.824 0.093 . 1 . . . . . 83 Glu CB . 27959 1 402 . 1 1 83 83 GLU CG C 13 34.660 0.064 . 1 . . . . . 83 Glu CG . 27959 1 403 . 1 1 83 83 GLU CD C 13 183.334 0.029 . 1 . . . . . 83 Glu CD . 27959 1 404 . 1 1 83 83 GLU N N 15 124.334 0.256 . 1 . . . . . 83 Glu N . 27959 1 405 . 1 1 84 84 LEU H H 1 8.801 0.000 . 1 . . . . . 84 Leu H . 27959 1 406 . 1 1 84 84 LEU HA H 1 4.658 0.000 . 1 . . . . . 84 Leu HA . 27959 1 407 . 1 1 84 84 LEU C C 13 175.285 0.175 . 1 . . . . . 84 Leu C . 27959 1 408 . 1 1 84 84 LEU CA C 13 53.886 0.057 . 1 . . . . . 84 Leu CA . 27959 1 409 . 1 1 84 84 LEU CB C 13 43.688 0.000 . 1 . . . . . 84 Leu CB . 27959 1 410 . 1 1 84 84 LEU CG C 13 28.024 0.000 . 1 . . . . . 84 Leu CG . 27959 1 411 . 1 1 84 84 LEU CD2 C 13 24.618 0.000 . 2 . . . . . 84 Leu CD2 . 27959 1 412 . 1 1 84 84 LEU N N 15 128.860 0.088 . 1 . . . . . 84 Leu N . 27959 1 413 . 1 1 85 85 ILE H H 1 9.245 0.000 . 1 . . . . . 85 Ile H . 27959 1 414 . 1 1 85 85 ILE HA H 1 5.160 0.000 . 1 . . . . . 85 Ile HA . 27959 1 415 . 1 1 85 85 ILE C C 13 175.433 0.076 . 1 . . . . . 85 Ile C . 27959 1 416 . 1 1 85 85 ILE CA C 13 56.864 0.099 . 1 . . . . . 85 Ile CA . 27959 1 417 . 1 1 85 85 ILE CB C 13 43.189 0.039 . 1 . . . . . 85 Ile CB . 27959 1 418 . 1 1 85 85 ILE CG1 C 13 26.509 0.074 . 1 . . . . . 85 Ile CG1 . 27959 1 419 . 1 1 85 85 ILE CG2 C 13 23.288 0.018 . 1 . . . . . 85 Ile CG2 . 27959 1 420 . 1 1 85 85 ILE CD1 C 13 15.396 0.008 . 1 . . . . . 85 Ile CD1 . 27959 1 421 . 1 1 85 85 ILE N N 15 120.743 0.287 . 1 . . . . . 85 Ile N . 27959 1 422 . 1 1 86 86 GLU H H 1 7.319 0.006 . 1 . . . . . 86 Glu H . 27959 1 423 . 1 1 86 86 GLU C C 13 175.530 0.045 . 1 . . . . . 86 Glu C . 27959 1 424 . 1 1 86 86 GLU CA C 13 53.931 0.072 . 1 . . . . . 86 Glu CA . 27959 1 425 . 1 1 86 86 GLU CB C 13 33.184 0.073 . 1 . . . . . 86 Glu CB . 27959 1 426 . 1 1 86 86 GLU CG C 13 37.885 0.057 . 1 . . . . . 86 Glu CG . 27959 1 427 . 1 1 86 86 GLU CD C 13 183.372 0.025 . 1 . . . . . 86 Glu CD . 27959 1 428 . 1 1 86 86 GLU N N 15 117.395 0.162 . 1 . . . . . 86 Glu N . 27959 1 429 . 1 1 87 87 GLY H H 1 8.336 0.010 . 1 . . . . . 87 Gly H . 27959 1 430 . 1 1 87 87 GLY HA2 H 1 3.438 0.000 . 1 . . . . . 87 Gly HA2 . 27959 1 431 . 1 1 87 87 GLY C C 13 170.019 0.037 . 1 . . . . . 87 Gly C . 27959 1 432 . 1 1 87 87 GLY CA C 13 46.088 0.066 . 1 . . . . . 87 Gly CA . 27959 1 433 . 1 1 87 87 GLY N N 15 106.640 0.169 . 1 . . . . . 87 Gly N . 27959 1 434 . 1 1 88 88 GLU H H 1 6.776 0.000 . 1 . . . . . 88 Glu H . 27959 1 435 . 1 1 88 88 GLU HA H 1 5.252 0.000 . 1 . . . . . 88 Glu HA . 27959 1 436 . 1 1 88 88 GLU C C 13 175.591 0.036 . 1 . . . . . 88 Glu C . 27959 1 437 . 1 1 88 88 GLU CA C 13 53.404 0.082 . 1 . . . . . 88 Glu CA . 27959 1 438 . 1 1 88 88 GLU CB C 13 33.784 0.055 . 1 . . . . . 88 Glu CB . 27959 1 439 . 1 1 88 88 GLU CG C 13 35.285 0.128 . 1 . . . . . 88 Glu CG . 27959 1 440 . 1 1 88 88 GLU CD C 13 182.102 0.017 . 1 . . . . . 88 Glu CD . 27959 1 441 . 1 1 88 88 GLU N N 15 119.053 0.112 . 1 . . . . . 88 Glu N . 27959 1 442 . 1 1 89 89 VAL H H 1 8.583 0.001 . 1 . . . . . 89 Val H . 27959 1 443 . 1 1 89 89 VAL HA H 1 4.273 0.000 . 1 . . . . . 89 Val HA . 27959 1 444 . 1 1 89 89 VAL C C 13 177.112 0.046 . 1 . . . . . 89 Val C . 27959 1 445 . 1 1 89 89 VAL CA C 13 63.575 0.108 . 1 . . . . . 89 Val CA . 27959 1 446 . 1 1 89 89 VAL CB C 13 31.231 0.027 . 1 . . . . . 89 Val CB . 27959 1 447 . 1 1 89 89 VAL CG1 C 13 23.288 0.032 . 2 . . . . . 89 Val CG1 . 27959 1 448 . 1 1 89 89 VAL CG2 C 13 22.195 0.040 . 2 . . . . . 89 Val CG2 . 27959 1 449 . 1 1 89 89 VAL N N 15 127.597 0.120 . 1 . . . . . 89 Val N . 27959 1 450 . 1 1 90 90 VAL H H 1 8.462 0.000 . 1 . . . . . 90 Val H . 27959 1 451 . 1 1 90 90 VAL HA H 1 4.639 0.000 . 1 . . . . . 90 Val HA . 27959 1 452 . 1 1 90 90 VAL C C 13 175.179 0.163 . 1 . . . . . 90 Val C . 27959 1 453 . 1 1 90 90 VAL CA C 13 61.328 0.121 . 1 . . . . . 90 Val CA . 27959 1 454 . 1 1 90 90 VAL CB C 13 33.191 0.044 . 1 . . . . . 90 Val CB . 27959 1 455 . 1 1 90 90 VAL N N 15 123.038 0.122 . 1 . . . . . 90 Val N . 27959 1 456 . 1 1 91 91 ASP H H 1 8.868 0.000 . 1 . . . . . 91 Asp H . 27959 1 457 . 1 1 91 91 ASP C C 13 174.617 0.026 . 1 . . . . . 91 Asp C . 27959 1 458 . 1 1 91 91 ASP CA C 13 54.787 0.031 . 1 . . . . . 91 Asp CA . 27959 1 459 . 1 1 91 91 ASP CB C 13 43.584 0.066 . 1 . . . . . 91 Asp CB . 27959 1 460 . 1 1 91 91 ASP CG C 13 178.421 0.000 . 1 . . . . . 91 Asp CG . 27959 1 461 . 1 1 91 91 ASP N N 15 118.464 0.065 . 1 . . . . . 91 Asp N . 27959 1 462 . 1 1 92 92 VAL H H 1 8.391 0.000 . 1 . . . . . 92 Val H . 27959 1 463 . 1 1 92 92 VAL HA H 1 4.278 0.000 . 1 . . . . . 92 Val HA . 27959 1 464 . 1 1 92 92 VAL C C 13 172.581 0.047 . 1 . . . . . 92 Val C . 27959 1 465 . 1 1 92 92 VAL CA C 13 62.739 0.066 . 1 . . . . . 92 Val CA . 27959 1 466 . 1 1 92 92 VAL CB C 13 34.559 0.061 . 1 . . . . . 92 Val CB . 27959 1 467 . 1 1 92 92 VAL CG1 C 13 22.291 0.068 . 1 . . . . . 92 Val CG1 . 27959 1 468 . 1 1 92 92 VAL N N 15 125.553 0.137 . 1 . . . . . 92 Val N . 27959 1 469 . 1 1 93 93 VAL H H 1 8.461 0.000 . 1 . . . . . 93 Val H . 27959 1 470 . 1 1 93 93 VAL C C 13 175.393 0.062 . 1 . . . . . 93 Val C . 27959 1 471 . 1 1 93 93 VAL CA C 13 58.734 0.090 . 1 . . . . . 93 Val CA . 27959 1 472 . 1 1 93 93 VAL CB C 13 35.937 0.053 . 1 . . . . . 93 Val CB . 27959 1 473 . 1 1 93 93 VAL CG1 C 13 22.623 0.098 . 2 . . . . . 93 Val CG1 . 27959 1 474 . 1 1 93 93 VAL CG2 C 13 17.501 0.039 . 2 . . . . . 93 Val CG2 . 27959 1 475 . 1 1 93 93 VAL N N 15 119.587 0.215 . 1 . . . . . 93 Val N . 27959 1 476 . 1 1 94 94 GLU H H 1 8.122 0.012 . 1 . . . . . 94 Glu H . 27959 1 477 . 1 1 94 94 GLU HA H 1 3.101 0.000 . 1 . . . . . 94 Glu HA . 27959 1 478 . 1 1 94 94 GLU C C 13 175.662 0.082 . 1 . . . . . 94 Glu C . 27959 1 479 . 1 1 94 94 GLU CA C 13 58.852 0.103 . 1 . . . . . 94 Glu CA . 27959 1 480 . 1 1 94 94 GLU CB C 13 29.283 0.135 . 1 . . . . . 94 Glu CB . 27959 1 481 . 1 1 94 94 GLU CG C 13 36.186 0.000 . 1 . . . . . 94 Glu CG . 27959 1 482 . 1 1 94 94 GLU N N 15 116.284 0.134 . 1 . . . . . 94 Glu N . 27959 1 483 . 1 1 95 95 PHE H H 1 6.004 0.019 . 1 . . . . . 95 Phe H . 27959 1 484 . 1 1 95 95 PHE HA H 1 4.623 0.000 . 1 . . . . . 95 Phe HA . 27959 1 485 . 1 1 95 95 PHE C C 13 175.346 0.069 . 1 . . . . . 95 Phe C . 27959 1 486 . 1 1 95 95 PHE CA C 13 54.877 0.133 . 1 . . . . . 95 Phe CA . 27959 1 487 . 1 1 95 95 PHE CB C 13 37.974 0.000 . 1 . . . . . 95 Phe CB . 27959 1 488 . 1 1 95 95 PHE N N 15 106.004 0.108 . 1 . . . . . 95 Phe N . 27959 1 489 . 1 1 96 96 GLY H H 1 7.320 0.015 . 1 . . . . . 96 Gly H . 27959 1 490 . 1 1 96 96 GLY HA2 H 1 2.972 0.000 . 2 . . . . . 96 Gly HA2 . 27959 1 491 . 1 1 96 96 GLY HA3 H 1 4.805 0.000 . 2 . . . . . 96 Gly HA3 . 27959 1 492 . 1 1 96 96 GLY C C 13 169.374 0.027 . 1 . . . . . 96 Gly C . 27959 1 493 . 1 1 96 96 GLY CA C 13 44.970 0.077 . 1 . . . . . 96 Gly CA . 27959 1 494 . 1 1 96 96 GLY N N 15 110.361 0.267 . 1 . . . . . 96 Gly N . 27959 1 495 . 1 1 97 97 SER H H 1 8.463 0.007 . 1 . . . . . 97 Ser H . 27959 1 496 . 1 1 97 97 SER HA H 1 5.113 0.000 . 1 . . . . . 97 Ser HA . 27959 1 497 . 1 1 97 97 SER C C 13 173.503 0.026 . 1 . . . . . 97 Ser C . 27959 1 498 . 1 1 97 97 SER CA C 13 55.088 0.092 . 1 . . . . . 97 Ser CA . 27959 1 499 . 1 1 97 97 SER CB C 13 66.830 0.018 . 1 . . . . . 97 Ser CB . 27959 1 500 . 1 1 97 97 SER N N 15 110.290 0.190 . 1 . . . . . 97 Ser N . 27959 1 501 . 1 1 98 98 PHE H H 1 8.894 0.001 . 1 . . . . . 98 Phe H . 27959 1 502 . 1 1 98 98 PHE HA H 1 5.287 0.000 . 1 . . . . . 98 Phe HA . 27959 1 503 . 1 1 98 98 PHE C C 13 175.774 0.024 . 1 . . . . . 98 Phe C . 27959 1 504 . 1 1 98 98 PHE CA C 13 57.670 0.097 . 1 . . . . . 98 Phe CA . 27959 1 505 . 1 1 98 98 PHE CB C 13 41.109 0.089 . 1 . . . . . 98 Phe CB . 27959 1 506 . 1 1 98 98 PHE N N 15 126.316 0.241 . 1 . . . . . 98 Phe N . 27959 1 507 . 1 1 99 99 VAL H H 1 9.426 0.045 . 1 . . . . . 99 Val H . 27959 1 508 . 1 1 99 99 VAL HA H 1 4.698 0.000 . 1 . . . . . 99 Val HA . 27959 1 509 . 1 1 99 99 VAL C C 13 174.234 0.065 . 1 . . . . . 99 Val C . 27959 1 510 . 1 1 99 99 VAL CA C 13 59.546 0.075 . 1 . . . . . 99 Val CA . 27959 1 511 . 1 1 99 99 VAL CB C 13 35.032 0.038 . 1 . . . . . 99 Val CB . 27959 1 512 . 1 1 99 99 VAL CG1 C 13 21.938 0.030 . 2 . . . . . 99 Val CG1 . 27959 1 513 . 1 1 99 99 VAL CG2 C 13 20.676 0.041 . 2 . . . . . 99 Val CG2 . 27959 1 514 . 1 1 99 99 VAL N N 15 124.080 0.179 . 1 . . . . . 99 Val N . 27959 1 515 . 1 1 100 100 ARG H H 1 9.279 0.001 . 1 . . . . . 100 Arg H . 27959 1 516 . 1 1 100 100 ARG HA H 1 4.789 0.000 . 1 . . . . . 100 Arg HA . 27959 1 517 . 1 1 100 100 ARG C C 13 175.816 0.075 . 1 . . . . . 100 Arg C . 27959 1 518 . 1 1 100 100 ARG CA C 13 57.414 0.050 . 1 . . . . . 100 Arg CA . 27959 1 519 . 1 1 100 100 ARG CB C 13 30.785 0.018 . 1 . . . . . 100 Arg CB . 27959 1 520 . 1 1 100 100 ARG CD C 13 43.251 0.176 . 1 . . . . . 100 Arg CD . 27959 1 521 . 1 1 100 100 ARG N N 15 130.376 0.134 . 1 . . . . . 100 Arg N . 27959 1 522 . 1 1 101 101 LEU H H 1 7.296 0.000 . 1 . . . . . 101 Leu H . 27959 1 523 . 1 1 101 101 LEU HA H 1 3.999 0.000 . 1 . . . . . 101 Leu HA . 27959 1 524 . 1 1 101 101 LEU C C 13 175.307 0.028 . 1 . . . . . 101 Leu C . 27959 1 525 . 1 1 101 101 LEU CA C 13 53.605 0.105 . 1 . . . . . 101 Leu CA . 27959 1 526 . 1 1 101 101 LEU CB C 13 42.682 0.092 . 1 . . . . . 101 Leu CB . 27959 1 527 . 1 1 101 101 LEU CG C 13 26.588 0.076 . 1 . . . . . 101 Leu CG . 27959 1 528 . 1 1 101 101 LEU CD1 C 13 23.837 0.000 . 1 . . . . . 101 Leu CD1 . 27959 1 529 . 1 1 101 101 LEU N N 15 122.589 0.197 . 1 . . . . . 101 Leu N . 27959 1 530 . 1 1 102 102 GLY H H 1 6.271 0.004 . 1 . . . . . 102 Gly H . 27959 1 531 . 1 1 102 102 GLY HA2 H 1 2.714 0.000 . 2 . . . . . 102 Gly HA2 . 27959 1 532 . 1 1 102 102 GLY HA3 H 1 3.308 0.000 . 2 . . . . . 102 Gly HA3 . 27959 1 533 . 1 1 102 102 GLY C C 13 170.851 0.039 . 1 . . . . . 102 Gly C . 27959 1 534 . 1 1 102 102 GLY CA C 13 43.788 0.141 . 1 . . . . . 102 Gly CA . 27959 1 535 . 1 1 102 102 GLY N N 15 104.420 0.124 . 1 . . . . . 102 Gly N . 27959 1 536 . 1 1 103 103 PRO C C 13 171.871 0.015 . 1 . . . . . 103 Pro C . 27959 1 537 . 1 1 103 103 PRO CA C 13 62.592 0.048 . 1 . . . . . 103 Pro CA . 27959 1 538 . 1 1 103 103 PRO CB C 13 31.575 0.049 . 1 . . . . . 103 Pro CB . 27959 1 539 . 1 1 103 103 PRO N N 15 132.339 0.060 . 1 . . . . . 103 Pro N . 27959 1 540 . 1 1 104 104 LEU H H 1 5.940 0.006 . 1 . . . . . 104 Leu H . 27959 1 541 . 1 1 104 104 LEU HA H 1 4.405 0.000 . 1 . . . . . 104 Leu HA . 27959 1 542 . 1 1 104 104 LEU C C 13 174.298 0.081 . 1 . . . . . 104 Leu C . 27959 1 543 . 1 1 104 104 LEU CA C 13 52.598 0.051 . 1 . . . . . 104 Leu CA . 27959 1 544 . 1 1 104 104 LEU CB C 13 46.294 0.000 . 1 . . . . . 104 Leu CB . 27959 1 545 . 1 1 104 104 LEU N N 15 113.830 0.106 . 1 . . . . . 104 Leu N . 27959 1 546 . 1 1 105 105 ASP H H 1 8.380 0.000 . 1 . . . . . 105 Asp H . 27959 1 547 . 1 1 105 105 ASP HA H 1 5.363 0.000 . 1 . . . . . 105 Asp HA . 27959 1 548 . 1 1 105 105 ASP C C 13 176.504 0.070 . 1 . . . . . 105 Asp C . 27959 1 549 . 1 1 105 105 ASP CA C 13 52.472 0.078 . 1 . . . . . 105 Asp CA . 27959 1 550 . 1 1 105 105 ASP CB C 13 42.683 0.047 . 1 . . . . . 105 Asp CB . 27959 1 551 . 1 1 105 105 ASP CG C 13 178.392 0.028 . 1 . . . . . 105 Asp CG . 27959 1 552 . 1 1 105 105 ASP N N 15 119.188 0.177 . 1 . . . . . 105 Asp N . 27959 1 553 . 1 1 106 106 GLY H H 1 9.361 0.014 . 1 . . . . . 106 Gly H . 27959 1 554 . 1 1 106 106 GLY HA2 H 1 4.987 0.000 . 2 . . . . . 106 Gly HA2 . 27959 1 555 . 1 1 106 106 GLY HA3 H 1 3.007 0.000 . 2 . . . . . 106 Gly HA3 . 27959 1 556 . 1 1 106 106 GLY C C 13 171.304 0.038 . 1 . . . . . 106 Gly C . 27959 1 557 . 1 1 106 106 GLY CA C 13 43.575 0.106 . 1 . . . . . 106 Gly CA . 27959 1 558 . 1 1 106 106 GLY N N 15 107.001 0.134 . 1 . . . . . 106 Gly N . 27959 1 559 . 1 1 107 107 LEU H H 1 8.236 0.000 . 1 . . . . . 107 Leu H . 27959 1 560 . 1 1 107 107 LEU HA H 1 4.609 0.000 . 1 . . . . . 107 Leu HA . 27959 1 561 . 1 1 107 107 LEU C C 13 175.944 0.089 . 1 . . . . . 107 Leu C . 27959 1 562 . 1 1 107 107 LEU CA C 13 53.486 0.095 . 1 . . . . . 107 Leu CA . 27959 1 563 . 1 1 107 107 LEU CB C 13 45.034 0.000 . 1 . . . . . 107 Leu CB . 27959 1 564 . 1 1 107 107 LEU CG C 13 27.392 0.086 . 1 . . . . . 107 Leu CG . 27959 1 565 . 1 1 107 107 LEU CD1 C 13 26.106 0.027 . 1 . . . . . 107 Leu CD1 . 27959 1 566 . 1 1 107 107 LEU N N 15 121.986 0.155 . 1 . . . . . 107 Leu N . 27959 1 567 . 1 1 108 108 ILE H H 1 8.992 0.001 . 1 . . . . . 108 Ile H . 27959 1 568 . 1 1 108 108 ILE HA H 1 3.898 0.000 . 1 . . . . . 108 Ile HA . 27959 1 569 . 1 1 108 108 ILE C C 13 174.985 0.111 . 1 . . . . . 108 Ile C . 27959 1 570 . 1 1 108 108 ILE CA C 13 59.320 0.142 . 1 . . . . . 108 Ile CA . 27959 1 571 . 1 1 108 108 ILE CB C 13 37.806 0.142 . 1 . . . . . 108 Ile CB . 27959 1 572 . 1 1 108 108 ILE CG1 C 13 28.205 0.043 . 1 . . . . . 108 Ile CG1 . 27959 1 573 . 1 1 108 108 ILE CG2 C 13 21.066 0.000 . 1 . . . . . 108 Ile CG2 . 27959 1 574 . 1 1 108 108 ILE CD1 C 13 14.516 0.000 . 1 . . . . . 108 Ile CD1 . 27959 1 575 . 1 1 108 108 ILE N N 15 127.655 0.271 . 1 . . . . . 108 Ile N . 27959 1 576 . 1 1 109 109 HIS H H 1 8.951 0.001 . 1 . . . . . 109 His H . 27959 1 577 . 1 1 109 109 HIS HA H 1 4.463 0.000 . 1 . . . . . 109 His HA . 27959 1 578 . 1 1 109 109 HIS C C 13 176.682 0.080 . 1 . . . . . 109 His C . 27959 1 579 . 1 1 109 109 HIS CA C 13 59.487 0.100 . 1 . . . . . 109 His CA . 27959 1 580 . 1 1 109 109 HIS CB C 13 31.681 0.180 . 1 . . . . . 109 His CB . 27959 1 581 . 1 1 109 109 HIS N N 15 127.392 0.154 . 1 . . . . . 109 His N . 27959 1 582 . 1 1 110 110 VAL H H 1 7.120 0.000 . 1 . . . . . 110 Val H . 27959 1 583 . 1 1 110 110 VAL HA H 1 3.696 0.000 . 1 . . . . . 110 Val HA . 27959 1 584 . 1 1 110 110 VAL C C 13 173.596 0.065 . 1 . . . . . 110 Val C . 27959 1 585 . 1 1 110 110 VAL CA C 13 64.376 0.149 . 1 . . . . . 110 Val CA . 27959 1 586 . 1 1 110 110 VAL CB C 13 31.666 0.036 . 1 . . . . . 110 Val CB . 27959 1 587 . 1 1 110 110 VAL CG1 C 13 21.298 0.052 . 2 . . . . . 110 Val CG1 . 27959 1 588 . 1 1 110 110 VAL CG2 C 13 18.351 0.069 . 2 . . . . . 110 Val CG2 . 27959 1 589 . 1 1 110 110 VAL N N 15 125.560 0.308 . 1 . . . . . 110 Val N . 27959 1 590 . 1 1 111 111 SER H H 1 8.225 0.001 . 1 . . . . . 111 Ser H . 27959 1 591 . 1 1 111 111 SER HA H 1 4.484 0.000 . 1 . . . . . 111 Ser HA . 27959 1 592 . 1 1 111 111 SER C C 13 175.367 0.090 . 1 . . . . . 111 Ser C . 27959 1 593 . 1 1 111 111 SER CA C 13 60.153 0.165 . 1 . . . . . 111 Ser CA . 27959 1 594 . 1 1 111 111 SER CB C 13 64.602 0.058 . 1 . . . . . 111 Ser CB . 27959 1 595 . 1 1 111 111 SER N N 15 116.699 0.183 . 1 . . . . . 111 Ser N . 27959 1 596 . 1 1 112 112 GLN H H 1 8.732 0.000 . 1 . . . . . 112 Gln H . 27959 1 597 . 1 1 112 112 GLN HA H 1 4.186 0.000 . 1 . . . . . 112 Gln HA . 27959 1 598 . 1 1 112 112 GLN C C 13 174.013 0.057 . 1 . . . . . 112 Gln C . 27959 1 599 . 1 1 112 112 GLN CA C 13 54.411 0.112 . 1 . . . . . 112 Gln CA . 27959 1 600 . 1 1 112 112 GLN CB C 13 28.821 0.000 . 1 . . . . . 112 Gln CB . 27959 1 601 . 1 1 112 112 GLN CG C 13 33.122 0.000 . 1 . . . . . 112 Gln CG . 27959 1 602 . 1 1 112 112 GLN CD C 13 180.807 0.000 . 1 . . . . . 112 Gln CD . 27959 1 603 . 1 1 112 112 GLN N N 15 121.082 0.189 . 1 . . . . . 112 Gln N . 27959 1 604 . 1 1 113 113 ILE H H 1 7.717 0.000 . 1 . . . . . 113 Ile H . 27959 1 605 . 1 1 113 113 ILE HA H 1 3.817 0.000 . 1 . . . . . 113 Ile HA . 27959 1 606 . 1 1 113 113 ILE C C 13 174.247 0.067 . 1 . . . . . 113 Ile C . 27959 1 607 . 1 1 113 113 ILE CA C 13 63.839 0.110 . 1 . . . . . 113 Ile CA . 27959 1 608 . 1 1 113 113 ILE CB C 13 38.866 0.038 . 1 . . . . . 113 Ile CB . 27959 1 609 . 1 1 113 113 ILE CG1 C 13 29.359 0.000 . 1 . . . . . 113 Ile CG1 . 27959 1 610 . 1 1 113 113 ILE CG2 C 13 18.758 0.000 . 1 . . . . . 113 Ile CG2 . 27959 1 611 . 1 1 113 113 ILE CD1 C 13 14.932 0.000 . 1 . . . . . 113 Ile CD1 . 27959 1 612 . 1 1 113 113 ILE N N 15 121.838 0.138 . 1 . . . . . 113 Ile N . 27959 1 613 . 1 1 114 114 MET H H 1 8.558 0.004 . 1 . . . . . 114 Met H . 27959 1 614 . 1 1 114 114 MET HA H 1 4.500 0.000 . 1 . . . . . 114 Met HA . 27959 1 615 . 1 1 114 114 MET C C 13 172.682 0.033 . 1 . . . . . 114 Met C . 27959 1 616 . 1 1 114 114 MET CA C 13 54.484 0.071 . 1 . . . . . 114 Met CA . 27959 1 617 . 1 1 114 114 MET CB C 13 36.050 0.043 . 1 . . . . . 114 Met CB . 27959 1 618 . 1 1 114 114 MET CG C 13 30.524 0.012 . 1 . . . . . 114 Met CG . 27959 1 619 . 1 1 114 114 MET N N 15 111.480 0.136 . 1 . . . . . 114 Met N . 27959 1 620 . 1 1 115 115 ASP H H 1 8.568 0.002 . 1 . . . . . 115 Asp H . 27959 1 621 . 1 1 115 115 ASP HA H 1 4.624 0.000 . 1 . . . . . 115 Asp HA . 27959 1 622 . 1 1 115 115 ASP C C 13 174.258 0.061 . 1 . . . . . 115 Asp C . 27959 1 623 . 1 1 115 115 ASP CA C 13 52.360 0.066 . 1 . . . . . 115 Asp CA . 27959 1 624 . 1 1 115 115 ASP CB C 13 38.881 0.008 . 1 . . . . . 115 Asp CB . 27959 1 625 . 1 1 115 115 ASP CG C 13 180.194 0.049 . 1 . . . . . 115 Asp CG . 27959 1 626 . 1 1 115 115 ASP N N 15 120.305 0.150 . 1 . . . . . 115 Asp N . 27959 1 627 . 1 1 116 116 ASP H H 1 7.600 0.006 . 1 . . . . . 116 Asp H . 27959 1 628 . 1 1 116 116 ASP HA H 1 4.430 0.000 . 1 . . . . . 116 Asp HA . 27959 1 629 . 1 1 116 116 ASP C C 13 174.866 0.047 . 1 . . . . . 116 Asp C . 27959 1 630 . 1 1 116 116 ASP CA C 13 51.818 0.114 . 1 . . . . . 116 Asp CA . 27959 1 631 . 1 1 116 116 ASP CB C 13 42.401 0.075 . 1 . . . . . 116 Asp CB . 27959 1 632 . 1 1 116 116 ASP CG C 13 179.656 0.000 . 1 . . . . . 116 Asp CG . 27959 1 633 . 1 1 116 116 ASP N N 15 119.997 0.076 . 1 . . . . . 116 Asp N . 27959 1 634 . 1 1 117 117 TYR H H 1 9.723 0.011 . 1 . . . . . 117 Tyr H . 27959 1 635 . 1 1 117 117 TYR HA H 1 4.625 0.000 . 1 . . . . . 117 Tyr HA . 27959 1 636 . 1 1 117 117 TYR C C 13 176.046 0.028 . 1 . . . . . 117 Tyr C . 27959 1 637 . 1 1 117 117 TYR CA C 13 58.238 0.101 . 1 . . . . . 117 Tyr CA . 27959 1 638 . 1 1 117 117 TYR CB C 13 38.541 0.009 . 1 . . . . . 117 Tyr CB . 27959 1 639 . 1 1 117 117 TYR CD1 C 13 133.219 0.000 . 1 . . . . . 117 Tyr CD1 . 27959 1 640 . 1 1 117 117 TYR CD2 C 13 133.219 0.000 . 1 . . . . . 117 Tyr CD2 . 27959 1 641 . 1 1 117 117 TYR N N 15 124.202 0.178 . 1 . . . . . 117 Tyr N . 27959 1 642 . 1 1 118 118 VAL H H 1 7.671 0.000 . 1 . . . . . 118 Val H . 27959 1 643 . 1 1 118 118 VAL C C 13 175.839 0.037 . 1 . . . . . 118 Val C . 27959 1 644 . 1 1 118 118 VAL CA C 13 58.718 0.079 . 1 . . . . . 118 Val CA . 27959 1 645 . 1 1 118 118 VAL CB C 13 35.193 0.022 . 1 . . . . . 118 Val CB . 27959 1 646 . 1 1 118 118 VAL CG1 C 13 22.201 0.000 . 2 . . . . . 118 Val CG1 . 27959 1 647 . 1 1 118 118 VAL CG2 C 13 19.206 0.030 . 2 . . . . . 118 Val CG2 . 27959 1 648 . 1 1 118 118 VAL N N 15 117.580 0.283 . 1 . . . . . 118 Val N . 27959 1 649 . 1 1 119 119 SER H H 1 8.389 0.008 . 1 . . . . . 119 Ser H . 27959 1 650 . 1 1 119 119 SER HA H 1 4.681 0.000 . 1 . . . . . 119 Ser HA . 27959 1 651 . 1 1 119 119 SER C C 13 172.053 0.007 . 1 . . . . . 119 Ser C . 27959 1 652 . 1 1 119 119 SER CA C 13 56.863 0.069 . 1 . . . . . 119 Ser CA . 27959 1 653 . 1 1 119 119 SER CB C 13 66.087 0.006 . 1 . . . . . 119 Ser CB . 27959 1 654 . 1 1 119 119 SER N N 15 113.975 0.201 . 1 . . . . . 119 Ser N . 27959 1 655 . 1 1 120 120 TYR H H 1 8.749 0.000 . 1 . . . . . 120 Tyr H . 27959 1 656 . 1 1 120 120 TYR HA H 1 5.107 0.000 . 1 . . . . . 120 Tyr HA . 27959 1 657 . 1 1 120 120 TYR C C 13 173.943 0.055 . 1 . . . . . 120 Tyr C . 27959 1 658 . 1 1 120 120 TYR CA C 13 55.842 0.077 . 1 . . . . . 120 Tyr CA . 27959 1 659 . 1 1 120 120 TYR CB C 13 39.786 0.130 . 1 . . . . . 120 Tyr CB . 27959 1 660 . 1 1 120 120 TYR N N 15 123.060 0.172 . 1 . . . . . 120 Tyr N . 27959 1 661 . 1 1 121 121 ASP H H 1 8.605 0.000 . 1 . . . . . 121 Asp H . 27959 1 662 . 1 1 121 121 ASP HA H 1 4.922 0.000 . 1 . . . . . 121 Asp HA . 27959 1 663 . 1 1 121 121 ASP C C 13 174.747 0.081 . 1 . . . . . 121 Asp C . 27959 1 664 . 1 1 121 121 ASP CA C 13 49.304 0.088 . 1 . . . . . 121 Asp CA . 27959 1 665 . 1 1 121 121 ASP CB C 13 42.842 0.000 . 1 . . . . . 121 Asp CB . 27959 1 666 . 1 1 121 121 ASP CG C 13 179.690 0.000 . 1 . . . . . 121 Asp CG . 27959 1 667 . 1 1 121 121 ASP N N 15 129.523 0.088 . 1 . . . . . 121 Asp N . 27959 1 668 . 1 1 122 122 PRO HA H 1 4.123 0.000 . 1 . . . . . 122 Pro HA . 27959 1 669 . 1 1 122 122 PRO C C 13 177.742 0.073 . 1 . . . . . 122 Pro C . 27959 1 670 . 1 1 122 122 PRO CA C 13 63.314 0.049 . 1 . . . . . 122 Pro CA . 27959 1 671 . 1 1 122 122 PRO CB C 13 32.207 0.038 . 1 . . . . . 122 Pro CB . 27959 1 672 . 1 1 122 122 PRO CG C 13 26.614 0.000 . 1 . . . . . 122 Pro CG . 27959 1 673 . 1 1 122 122 PRO N N 15 134.465 0.059 . 1 . . . . . 122 Pro N . 27959 1 674 . 1 1 123 123 LYS H H 1 7.860 0.001 . 1 . . . . . 123 Lys H . 27959 1 675 . 1 1 123 123 LYS HA H 1 4.119 0.000 . 1 . . . . . 123 Lys HA . 27959 1 676 . 1 1 123 123 LYS C C 13 178.081 0.105 . 1 . . . . . 123 Lys C . 27959 1 677 . 1 1 123 123 LYS CA C 13 58.179 0.119 . 1 . . . . . 123 Lys CA . 27959 1 678 . 1 1 123 123 LYS CB C 13 32.008 0.100 . 1 . . . . . 123 Lys CB . 27959 1 679 . 1 1 123 123 LYS CG C 13 25.223 0.000 . 1 . . . . . 123 Lys CG . 27959 1 680 . 1 1 123 123 LYS N N 15 118.586 0.095 . 1 . . . . . 123 Lys N . 27959 1 681 . 1 1 124 124 ARG H H 1 7.222 0.005 . 1 . . . . . 124 Arg H . 27959 1 682 . 1 1 124 124 ARG HA H 1 4.050 0.000 . 1 . . . . . 124 Arg HA . 27959 1 683 . 1 1 124 124 ARG C C 13 175.370 0.063 . 1 . . . . . 124 Arg C . 27959 1 684 . 1 1 124 124 ARG CA C 13 55.888 0.113 . 1 . . . . . 124 Arg CA . 27959 1 685 . 1 1 124 124 ARG CB C 13 32.181 0.046 . 1 . . . . . 124 Arg CB . 27959 1 686 . 1 1 124 124 ARG CG C 13 27.349 0.019 . 1 . . . . . 124 Arg CG . 27959 1 687 . 1 1 124 124 ARG N N 15 117.151 0.115 . 1 . . . . . 124 Arg N . 27959 1 688 . 1 1 125 125 GLU H H 1 7.824 0.005 . 1 . . . . . 125 Glu H . 27959 1 689 . 1 1 125 125 GLU HA H 1 3.621 0.000 . 1 . . . . . 125 Glu HA . 27959 1 690 . 1 1 125 125 GLU C C 13 173.164 0.057 . 1 . . . . . 125 Glu C . 27959 1 691 . 1 1 125 125 GLU CA C 13 57.293 0.071 . 1 . . . . . 125 Glu CA . 27959 1 692 . 1 1 125 125 GLU CB C 13 26.997 0.131 . 1 . . . . . 125 Glu CB . 27959 1 693 . 1 1 125 125 GLU CG C 13 37.063 0.060 . 1 . . . . . 125 Glu CG . 27959 1 694 . 1 1 125 125 GLU CD C 13 185.414 0.000 . 1 . . . . . 125 Glu CD . 27959 1 695 . 1 1 125 125 GLU N N 15 115.805 0.127 . 1 . . . . . 125 Glu N . 27959 1 696 . 1 1 126 126 ALA H H 1 6.978 0.008 . 1 . . . . . 126 Ala H . 27959 1 697 . 1 1 126 126 ALA HA H 1 5.303 0.000 . 1 . . . . . 126 Ala HA . 27959 1 698 . 1 1 126 126 ALA C C 13 175.406 0.068 . 1 . . . . . 126 Ala C . 27959 1 699 . 1 1 126 126 ALA CA C 13 50.126 0.082 . 1 . . . . . 126 Ala CA . 27959 1 700 . 1 1 126 126 ALA CB C 13 24.506 0.081 . 1 . . . . . 126 Ala CB . 27959 1 701 . 1 1 126 126 ALA N N 15 116.246 0.137 . 1 . . . . . 126 Ala N . 27959 1 702 . 1 1 127 127 ILE H H 1 8.771 0.001 . 1 . . . . . 127 Ile H . 27959 1 703 . 1 1 127 127 ILE HA H 1 4.837 0.000 . 1 . . . . . 127 Ile HA . 27959 1 704 . 1 1 127 127 ILE C C 13 174.417 0.067 . 1 . . . . . 127 Ile C . 27959 1 705 . 1 1 127 127 ILE CA C 13 59.368 0.103 . 1 . . . . . 127 Ile CA . 27959 1 706 . 1 1 127 127 ILE CB C 13 39.354 0.066 . 1 . . . . . 127 Ile CB . 27959 1 707 . 1 1 127 127 ILE CG1 C 13 28.221 0.000 . 1 . . . . . 127 Ile CG1 . 27959 1 708 . 1 1 127 127 ILE CG2 C 13 17.928 0.029 . 1 . . . . . 127 Ile CG2 . 27959 1 709 . 1 1 127 127 ILE N N 15 120.925 0.198 . 1 . . . . . 127 Ile N . 27959 1 710 . 1 1 128 128 ILE H H 1 8.669 0.000 . 1 . . . . . 128 Ile H . 27959 1 711 . 1 1 128 128 ILE HA H 1 4.989 0.000 . 1 . . . . . 128 Ile HA . 27959 1 712 . 1 1 128 128 ILE C C 13 176.908 0.070 . 1 . . . . . 128 Ile C . 27959 1 713 . 1 1 128 128 ILE CA C 13 59.369 0.061 . 1 . . . . . 128 Ile CA . 27959 1 714 . 1 1 128 128 ILE CB C 13 41.578 0.016 . 1 . . . . . 128 Ile CB . 27959 1 715 . 1 1 128 128 ILE CG1 C 13 28.050 0.000 . 1 . . . . . 128 Ile CG1 . 27959 1 716 . 1 1 128 128 ILE CG2 C 13 17.712 0.000 . 1 . . . . . 128 Ile CG2 . 27959 1 717 . 1 1 128 128 ILE N N 15 125.365 0.100 . 1 . . . . . 128 Ile N . 27959 1 718 . 1 1 129 129 GLY H H 1 9.241 0.003 . 1 . . . . . 129 Gly H . 27959 1 719 . 1 1 129 129 GLY HA2 H 1 4.340 0.000 . 2 . . . . . 129 Gly HA2 . 27959 1 720 . 1 1 129 129 GLY HA3 H 1 3.494 0.000 . 2 . . . . . 129 Gly HA3 . 27959 1 721 . 1 1 129 129 GLY C C 13 175.326 0.029 . 1 . . . . . 129 Gly C . 27959 1 722 . 1 1 129 129 GLY CA C 13 46.602 0.061 . 1 . . . . . 129 Gly CA . 27959 1 723 . 1 1 129 129 GLY N N 15 116.088 0.120 . 1 . . . . . 129 Gly N . 27959 1 724 . 1 1 130 130 LYS H H 1 8.950 0.000 . 1 . . . . . 130 Lys H . 27959 1 725 . 1 1 130 130 LYS HA H 1 3.851 0.000 . 1 . . . . . 130 Lys HA . 27959 1 726 . 1 1 130 130 LYS C C 13 177.573 0.089 . 1 . . . . . 130 Lys C . 27959 1 727 . 1 1 130 130 LYS CA C 13 59.925 0.060 . 1 . . . . . 130 Lys CA . 27959 1 728 . 1 1 130 130 LYS CB C 13 34.763 0.031 . 1 . . . . . 130 Lys CB . 27959 1 729 . 1 1 130 130 LYS CG C 13 24.938 0.059 . 1 . . . . . 130 Lys CG . 27959 1 730 . 1 1 130 130 LYS CD C 13 29.421 0.000 . 1 . . . . . 130 Lys CD . 27959 1 731 . 1 1 130 130 LYS N N 15 128.675 0.138 . 1 . . . . . 130 Lys N . 27959 1 732 . 1 1 131 131 GLU H H 1 10.104 0.002 . 1 . . . . . 131 Glu H . 27959 1 733 . 1 1 131 131 GLU HA H 1 4.373 0.000 . 1 . . . . . 131 Glu HA . 27959 1 734 . 1 1 131 131 GLU C C 13 179.752 0.068 . 1 . . . . . 131 Glu C . 27959 1 735 . 1 1 131 131 GLU CA C 13 58.040 0.064 . 1 . . . . . 131 Glu CA . 27959 1 736 . 1 1 131 131 GLU CB C 13 30.568 0.082 . 1 . . . . . 131 Glu CB . 27959 1 737 . 1 1 131 131 GLU CG C 13 36.558 0.027 . 1 . . . . . 131 Glu CG . 27959 1 738 . 1 1 131 131 GLU CD C 13 183.438 0.000 . 1 . . . . . 131 Glu CD . 27959 1 739 . 1 1 131 131 GLU N N 15 118.911 0.183 . 1 . . . . . 131 Glu N . 27959 1 740 . 1 1 132 132 THR H H 1 9.980 0.012 . 1 . . . . . 132 Thr H . 27959 1 741 . 1 1 132 132 THR HA H 1 4.150 0.000 . 1 . . . . . 132 Thr HA . 27959 1 742 . 1 1 132 132 THR C C 13 177.485 0.056 . 1 . . . . . 132 Thr C . 27959 1 743 . 1 1 132 132 THR CA C 13 62.980 0.079 . 1 . . . . . 132 Thr CA . 27959 1 744 . 1 1 132 132 THR CB C 13 71.475 0.023 . 1 . . . . . 132 Thr CB . 27959 1 745 . 1 1 132 132 THR CG2 C 13 21.270 0.006 . 1 . . . . . 132 Thr CG2 . 27959 1 746 . 1 1 132 132 THR N N 15 110.810 0.089 . 1 . . . . . 132 Thr N . 27959 1 747 . 1 1 133 133 GLY H H 1 7.527 0.015 . 1 . . . . . 133 Gly H . 27959 1 748 . 1 1 133 133 GLY HA2 H 1 3.957 0.000 . 2 . . . . . 133 Gly HA2 . 27959 1 749 . 1 1 133 133 GLY HA3 H 1 3.656 0.000 . 2 . . . . . 133 Gly HA3 . 27959 1 750 . 1 1 133 133 GLY C C 13 174.062 0.028 . 1 . . . . . 133 Gly C . 27959 1 751 . 1 1 133 133 GLY CA C 13 45.802 0.097 . 1 . . . . . 133 Gly CA . 27959 1 752 . 1 1 133 133 GLY N N 15 110.627 0.105 . 1 . . . . . 133 Gly N . 27959 1 753 . 1 1 134 134 LYS H H 1 7.335 0.003 . 1 . . . . . 134 Lys H . 27959 1 754 . 1 1 134 134 LYS HA H 1 3.894 0.000 . 1 . . . . . 134 Lys HA . 27959 1 755 . 1 1 134 134 LYS C C 13 175.227 0.056 . 1 . . . . . 134 Lys C . 27959 1 756 . 1 1 134 134 LYS CA C 13 57.931 0.058 . 1 . . . . . 134 Lys CA . 27959 1 757 . 1 1 134 134 LYS CB C 13 33.806 0.143 . 1 . . . . . 134 Lys CB . 27959 1 758 . 1 1 134 134 LYS CG C 13 27.014 0.000 . 1 . . . . . 134 Lys CG . 27959 1 759 . 1 1 134 134 LYS CD C 13 28.450 0.000 . 1 . . . . . 134 Lys CD . 27959 1 760 . 1 1 134 134 LYS CE C 13 41.779 0.000 . 1 . . . . . 134 Lys CE . 27959 1 761 . 1 1 134 134 LYS N N 15 120.375 0.123 . 1 . . . . . 134 Lys N . 27959 1 762 . 1 1 135 135 VAL H H 1 7.375 0.000 . 1 . . . . . 135 Val H . 27959 1 763 . 1 1 135 135 VAL HA H 1 5.026 0.000 . 1 . . . . . 135 Val HA . 27959 1 764 . 1 1 135 135 VAL C C 13 174.238 0.046 . 1 . . . . . 135 Val C . 27959 1 765 . 1 1 135 135 VAL CA C 13 60.707 0.049 . 1 . . . . . 135 Val CA . 27959 1 766 . 1 1 135 135 VAL CB C 13 35.776 0.018 . 1 . . . . . 135 Val CB . 27959 1 767 . 1 1 135 135 VAL CG1 C 13 21.385 0.001 . 1 . . . . . 135 Val CG1 . 27959 1 768 . 1 1 135 135 VAL N N 15 119.379 0.182 . 1 . . . . . 135 Val N . 27959 1 769 . 1 1 136 136 LEU H H 1 9.290 0.000 . 1 . . . . . 136 Leu H . 27959 1 770 . 1 1 136 136 LEU HA H 1 4.981 0.000 . 1 . . . . . 136 Leu HA . 27959 1 771 . 1 1 136 136 LEU C C 13 173.913 0.070 . 1 . . . . . 136 Leu C . 27959 1 772 . 1 1 136 136 LEU CA C 13 53.431 0.061 . 1 . . . . . 136 Leu CA . 27959 1 773 . 1 1 136 136 LEU CB C 13 46.340 0.076 . 1 . . . . . 136 Leu CB . 27959 1 774 . 1 1 136 136 LEU CG C 13 27.487 0.065 . 1 . . . . . 136 Leu CG . 27959 1 775 . 1 1 136 136 LEU CD1 C 13 24.573 0.008 . 1 . . . . . 136 Leu CD1 . 27959 1 776 . 1 1 136 136 LEU N N 15 130.297 0.075 . 1 . . . . . 136 Leu N . 27959 1 777 . 1 1 137 137 GLU H H 1 9.353 0.000 . 1 . . . . . 137 Glu H . 27959 1 778 . 1 1 137 137 GLU HA H 1 4.929 0.000 . 1 . . . . . 137 Glu HA . 27959 1 779 . 1 1 137 137 GLU C C 13 175.112 0.005 . 1 . . . . . 137 Glu C . 27959 1 780 . 1 1 137 137 GLU CA C 13 54.089 0.092 . 1 . . . . . 137 Glu CA . 27959 1 781 . 1 1 137 137 GLU CB C 13 33.912 0.035 . 1 . . . . . 137 Glu CB . 27959 1 782 . 1 1 137 137 GLU CG C 13 35.925 0.000 . 1 . . . . . 137 Glu CG . 27959 1 783 . 1 1 137 137 GLU CD C 13 184.240 0.013 . 1 . . . . . 137 Glu CD . 27959 1 784 . 1 1 137 137 GLU N N 15 125.624 0.131 . 1 . . . . . 137 Glu N . 27959 1 785 . 1 1 138 138 ILE H H 1 8.663 0.000 . 1 . . . . . 138 Ile H . 27959 1 786 . 1 1 138 138 ILE HA H 1 3.328 0.000 . 1 . . . . . 138 Ile HA . 27959 1 787 . 1 1 138 138 ILE C C 13 177.443 0.061 . 1 . . . . . 138 Ile C . 27959 1 788 . 1 1 138 138 ILE CA C 13 64.728 0.049 . 1 . . . . . 138 Ile CA . 27959 1 789 . 1 1 138 138 ILE CB C 13 37.196 0.054 . 1 . . . . . 138 Ile CB . 27959 1 790 . 1 1 138 138 ILE CG1 C 13 30.335 0.000 . 1 . . . . . 138 Ile CG1 . 27959 1 791 . 1 1 138 138 ILE CG2 C 13 17.530 0.048 . 1 . . . . . 138 Ile CG2 . 27959 1 792 . 1 1 138 138 ILE CD1 C 13 14.095 0.000 . 1 . . . . . 138 Ile CD1 . 27959 1 793 . 1 1 138 138 ILE N N 15 119.394 0.066 . 1 . . . . . 138 Ile N . 27959 1 794 . 1 1 139 139 GLY H H 1 9.088 0.015 . 1 . . . . . 139 Gly H . 27959 1 795 . 1 1 139 139 GLY HA2 H 1 3.938 0.000 . 2 . . . . . 139 Gly HA2 . 27959 1 796 . 1 1 139 139 GLY HA3 H 1 4.468 0.000 . 2 . . . . . 139 Gly HA3 . 27959 1 797 . 1 1 139 139 GLY C C 13 174.596 0.019 . 1 . . . . . 139 Gly C . 27959 1 798 . 1 1 139 139 GLY CA C 13 44.376 0.050 . 1 . . . . . 139 Gly CA . 27959 1 799 . 1 1 139 139 GLY N N 15 117.045 0.138 . 1 . . . . . 139 Gly N . 27959 1 800 . 1 1 140 140 ASP H H 1 8.405 0.000 . 1 . . . . . 140 Asp H . 27959 1 801 . 1 1 140 140 ASP HA H 1 5.389 0.000 . 1 . . . . . 140 Asp HA . 27959 1 802 . 1 1 140 140 ASP C C 13 175.277 0.066 . 1 . . . . . 140 Asp C . 27959 1 803 . 1 1 140 140 ASP CA C 13 55.157 0.051 . 1 . . . . . 140 Asp CA . 27959 1 804 . 1 1 140 140 ASP CB C 13 41.309 0.057 . 1 . . . . . 140 Asp CB . 27959 1 805 . 1 1 140 140 ASP CG C 13 179.149 0.051 . 1 . . . . . 140 Asp CG . 27959 1 806 . 1 1 140 140 ASP N N 15 120.788 0.058 . 1 . . . . . 140 Asp N . 27959 1 807 . 1 1 141 141 TYR H H 1 8.995 0.000 . 1 . . . . . 141 Tyr H . 27959 1 808 . 1 1 141 141 TYR HA H 1 5.913 0.000 . 1 . . . . . 141 Tyr HA . 27959 1 809 . 1 1 141 141 TYR C C 13 176.701 0.089 . 1 . . . . . 141 Tyr C . 27959 1 810 . 1 1 141 141 TYR CA C 13 53.753 0.071 . 1 . . . . . 141 Tyr CA . 27959 1 811 . 1 1 141 141 TYR CB C 13 38.044 0.076 . 1 . . . . . 141 Tyr CB . 27959 1 812 . 1 1 141 141 TYR CG C 13 131.226 0.119 . 1 . . . . . 141 Tyr CG . 27959 1 813 . 1 1 141 141 TYR N N 15 121.070 0.090 . 1 . . . . . 141 Tyr N . 27959 1 814 . 1 1 142 142 VAL H H 1 8.851 0.025 . 1 . . . . . 142 Val H . 27959 1 815 . 1 1 142 142 VAL HA H 1 4.861 0.000 . 1 . . . . . 142 Val HA . 27959 1 816 . 1 1 142 142 VAL C C 13 173.902 0.045 . 1 . . . . . 142 Val C . 27959 1 817 . 1 1 142 142 VAL CA C 13 57.794 0.085 . 1 . . . . . 142 Val CA . 27959 1 818 . 1 1 142 142 VAL CB C 13 35.511 0.057 . 1 . . . . . 142 Val CB . 27959 1 819 . 1 1 142 142 VAL CG1 C 13 18.136 0.023 . 2 . . . . . 142 Val CG1 . 27959 1 820 . 1 1 142 142 VAL CG2 C 13 22.072 0.018 . 2 . . . . . 142 Val CG2 . 27959 1 821 . 1 1 142 142 VAL N N 15 112.320 0.144 . 1 . . . . . 142 Val N . 27959 1 822 . 1 1 143 143 ARG H H 1 7.777 0.000 . 1 . . . . . 143 Arg H . 27959 1 823 . 1 1 143 143 ARG HA H 1 4.576 0.000 . 1 . . . . . 143 Arg HA . 27959 1 824 . 1 1 143 143 ARG C C 13 174.611 0.031 . 1 . . . . . 143 Arg C . 27959 1 825 . 1 1 143 143 ARG CA C 13 55.064 0.094 . 1 . . . . . 143 Arg CA . 27959 1 826 . 1 1 143 143 ARG CB C 13 33.419 0.030 . 1 . . . . . 143 Arg CB . 27959 1 827 . 1 1 143 143 ARG CD C 13 44.398 0.000 . 1 . . . . . 143 Arg CD . 27959 1 828 . 1 1 143 143 ARG CZ C 13 170.022 0.000 . 1 . . . . . 143 Arg CZ . 27959 1 829 . 1 1 143 143 ARG N N 15 120.364 0.210 . 1 . . . . . 143 Arg N . 27959 1 830 . 1 1 144 144 ALA H H 1 8.948 0.000 . 1 . . . . . 144 Ala H . 27959 1 831 . 1 1 144 144 ALA HA H 1 4.934 0.000 . 1 . . . . . 144 Ala HA . 27959 1 832 . 1 1 144 144 ALA C C 13 172.758 0.017 . 1 . . . . . 144 Ala C . 27959 1 833 . 1 1 144 144 ALA CA C 13 50.285 0.075 . 1 . . . . . 144 Ala CA . 27959 1 834 . 1 1 144 144 ALA CB C 13 23.354 0.032 . 1 . . . . . 144 Ala CB . 27959 1 835 . 1 1 144 144 ALA N N 15 125.570 0.262 . 1 . . . . . 144 Ala N . 27959 1 836 . 1 1 145 145 ARG H H 1 8.441 0.001 . 1 . . . . . 145 Arg H . 27959 1 837 . 1 1 145 145 ARG HA H 1 5.505 0.000 . 1 . . . . . 145 Arg HA . 27959 1 838 . 1 1 145 145 ARG C C 13 175.601 0.094 . 1 . . . . . 145 Arg C . 27959 1 839 . 1 1 145 145 ARG CA C 13 53.918 0.100 . 1 . . . . . 145 Arg CA . 27959 1 840 . 1 1 145 145 ARG CB C 13 33.641 0.009 . 1 . . . . . 145 Arg CB . 27959 1 841 . 1 1 145 145 ARG CG C 13 26.057 0.000 . 1 . . . . . 145 Arg CG . 27959 1 842 . 1 1 145 145 ARG CD C 13 41.736 0.069 . 1 . . . . . 145 Arg CD . 27959 1 843 . 1 1 145 145 ARG N N 15 119.283 0.190 . 1 . . . . . 145 Arg N . 27959 1 844 . 1 1 146 146 ILE H H 1 9.714 0.000 . 1 . . . . . 146 Ile H . 27959 1 845 . 1 1 146 146 ILE HA H 1 4.275 0.000 . 1 . . . . . 146 Ile HA . 27959 1 846 . 1 1 146 146 ILE C C 13 175.573 0.000 . 1 . . . . . 146 Ile C . 27959 1 847 . 1 1 146 146 ILE CA C 13 63.522 0.131 . 1 . . . . . 146 Ile CA . 27959 1 848 . 1 1 146 146 ILE CB C 13 37.764 0.048 . 1 . . . . . 146 Ile CB . 27959 1 849 . 1 1 146 146 ILE CG1 C 13 28.011 0.000 . 1 . . . . . 146 Ile CG1 . 27959 1 850 . 1 1 146 146 ILE CG2 C 13 18.436 0.157 . 1 . . . . . 146 Ile CG2 . 27959 1 851 . 1 1 146 146 ILE N N 15 127.488 0.176 . 1 . . . . . 146 Ile N . 27959 1 852 . 1 1 147 147 VAL H H 1 8.822 0.000 . 1 . . . . . 147 Val H . 27959 1 853 . 1 1 147 147 VAL HA H 1 2.476 0.000 . 1 . . . . . 147 Val HA . 27959 1 854 . 1 1 147 147 VAL C C 13 175.556 0.065 . 1 . . . . . 147 Val C . 27959 1 855 . 1 1 147 147 VAL CA C 13 60.437 0.174 . 1 . . . . . 147 Val CA . 27959 1 856 . 1 1 147 147 VAL CB C 13 33.266 0.079 . 1 . . . . . 147 Val CB . 27959 1 857 . 1 1 147 147 VAL CG1 C 13 22.481 0.000 . 2 . . . . . 147 Val CG1 . 27959 1 858 . 1 1 147 147 VAL CG2 C 13 17.426 0.000 . 2 . . . . . 147 Val CG2 . 27959 1 859 . 1 1 147 147 VAL N N 15 118.652 0.191 . 1 . . . . . 147 Val N . 27959 1 860 . 1 1 148 148 ALA H H 1 7.500 0.000 . 1 . . . . . 148 Ala H . 27959 1 861 . 1 1 148 148 ALA HA H 1 4.402 0.000 . 1 . . . . . 148 Ala HA . 27959 1 862 . 1 1 148 148 ALA C C 13 175.301 0.043 . 1 . . . . . 148 Ala C . 27959 1 863 . 1 1 148 148 ALA CA C 13 53.956 0.122 . 1 . . . . . 148 Ala CA . 27959 1 864 . 1 1 148 148 ALA CB C 13 21.371 0.034 . 1 . . . . . 148 Ala CB . 27959 1 865 . 1 1 148 148 ALA N N 15 121.945 0.194 . 1 . . . . . 148 Ala N . 27959 1 866 . 1 1 149 149 ILE H H 1 8.366 0.000 . 1 . . . . . 149 Ile H . 27959 1 867 . 1 1 149 149 ILE HA H 1 4.671 0.000 . 1 . . . . . 149 Ile HA . 27959 1 868 . 1 1 149 149 ILE C C 13 175.215 0.000 . 1 . . . . . 149 Ile C . 27959 1 869 . 1 1 149 149 ILE CA C 13 60.902 0.161 . 1 . . . . . 149 Ile CA . 27959 1 870 . 1 1 149 149 ILE CB C 13 43.318 0.058 . 1 . . . . . 149 Ile CB . 27959 1 871 . 1 1 149 149 ILE CG1 C 13 28.314 0.000 . 1 . . . . . 149 Ile CG1 . 27959 1 872 . 1 1 149 149 ILE CG2 C 13 18.493 0.018 . 1 . . . . . 149 Ile CG2 . 27959 1 873 . 1 1 149 149 ILE N N 15 120.130 0.205 . 1 . . . . . 149 Ile N . 27959 1 874 . 1 1 161 161 ILE C C 13 173.668 0.000 . 1 . . . . . 161 Ile C . 27959 1 875 . 1 1 162 162 ALA H H 1 8.986 0.000 . 1 . . . . . 162 Ala H . 27959 1 876 . 1 1 162 162 ALA HA H 1 5.170 0.000 . 1 . . . . . 162 Ala HA . 27959 1 877 . 1 1 162 162 ALA C C 13 176.914 0.140 . 1 . . . . . 162 Ala C . 27959 1 878 . 1 1 162 162 ALA CA C 13 50.730 0.149 . 1 . . . . . 162 Ala CA . 27959 1 879 . 1 1 162 162 ALA CB C 13 22.254 0.005 . 1 . . . . . 162 Ala CB . 27959 1 880 . 1 1 162 162 ALA N N 15 130.373 0.108 . 1 . . . . . 162 Ala N . 27959 1 881 . 1 1 163 163 LEU H H 1 8.458 0.001 . 1 . . . . . 163 Leu H . 27959 1 882 . 1 1 163 163 LEU HA H 1 5.500 0.000 . 1 . . . . . 163 Leu HA . 27959 1 883 . 1 1 163 163 LEU C C 13 175.986 0.078 . 1 . . . . . 163 Leu C . 27959 1 884 . 1 1 163 163 LEU CA C 13 52.567 0.082 . 1 . . . . . 163 Leu CA . 27959 1 885 . 1 1 163 163 LEU CB C 13 47.374 0.000 . 1 . . . . . 163 Leu CB . 27959 1 886 . 1 1 163 163 LEU CG C 13 27.114 0.000 . 1 . . . . . 163 Leu CG . 27959 1 887 . 1 1 163 163 LEU N N 15 120.604 0.132 . 1 . . . . . 163 Leu N . 27959 1 888 . 1 1 164 164 THR H H 1 8.790 0.008 . 1 . . . . . 164 Thr H . 27959 1 889 . 1 1 164 164 THR HA H 1 5.106 0.000 . 1 . . . . . 164 Thr HA . 27959 1 890 . 1 1 164 164 THR C C 13 172.486 0.033 . 1 . . . . . 164 Thr C . 27959 1 891 . 1 1 164 164 THR CA C 13 59.830 0.104 . 1 . . . . . 164 Thr CA . 27959 1 892 . 1 1 164 164 THR CB C 13 70.289 0.045 . 1 . . . . . 164 Thr CB . 27959 1 893 . 1 1 164 164 THR CG2 C 13 21.072 0.003 . 1 . . . . . 164 Thr CG2 . 27959 1 894 . 1 1 164 164 THR N N 15 112.157 0.249 . 1 . . . . . 164 Thr N . 27959 1 895 . 1 1 165 165 MET H H 1 8.822 0.001 . 1 . . . . . 165 Met H . 27959 1 896 . 1 1 165 165 MET HA H 1 4.713 0.000 . 1 . . . . . 165 Met HA . 27959 1 897 . 1 1 165 165 MET C C 13 175.309 0.091 . 1 . . . . . 165 Met C . 27959 1 898 . 1 1 165 165 MET CA C 13 56.140 0.094 . 1 . . . . . 165 Met CA . 27959 1 899 . 1 1 165 165 MET CB C 13 33.601 0.066 . 1 . . . . . 165 Met CB . 27959 1 900 . 1 1 165 165 MET CG C 13 31.450 0.000 . 1 . . . . . 165 Met CG . 27959 1 901 . 1 1 165 165 MET N N 15 120.566 0.094 . 1 . . . . . 165 Met N . 27959 1 902 . 1 1 166 166 ARG H H 1 8.820 0.000 . 1 . . . . . 166 Arg H . 27959 1 903 . 1 1 166 166 ARG HA H 1 4.470 0.000 . 1 . . . . . 166 Arg HA . 27959 1 904 . 1 1 166 166 ARG C C 13 175.949 0.038 . 1 . . . . . 166 Arg C . 27959 1 905 . 1 1 166 166 ARG CA C 13 54.639 0.069 . 1 . . . . . 166 Arg CA . 27959 1 906 . 1 1 166 166 ARG CB C 13 28.528 0.059 . 1 . . . . . 166 Arg CB . 27959 1 907 . 1 1 166 166 ARG CD C 13 44.416 0.000 . 1 . . . . . 166 Arg CD . 27959 1 908 . 1 1 166 166 ARG N N 15 127.386 0.177 . 1 . . . . . 166 Arg N . 27959 1 909 . 1 1 167 167 GLN H H 1 7.656 0.000 . 1 . . . . . 167 Gln H . 27959 1 910 . 1 1 167 167 GLN HA H 1 4.619 0.000 . 1 . . . . . 167 Gln HA . 27959 1 911 . 1 1 167 167 GLN C C 13 172.813 0.047 . 1 . . . . . 167 Gln C . 27959 1 912 . 1 1 167 167 GLN CA C 13 52.718 0.138 . 1 . . . . . 167 Gln CA . 27959 1 913 . 1 1 167 167 GLN CB C 13 30.624 0.000 . 1 . . . . . 167 Gln CB . 27959 1 914 . 1 1 167 167 GLN CG C 13 32.887 0.000 . 1 . . . . . 167 Gln CG . 27959 1 915 . 1 1 167 167 GLN CD C 13 179.316 0.000 . 1 . . . . . 167 Gln CD . 27959 1 916 . 1 1 167 167 GLN N N 15 116.062 0.166 . 1 . . . . . 167 Gln N . 27959 1 917 . 1 1 168 168 PRO HA H 1 3.995 0.000 . 1 . . . . . 168 Pro HA . 27959 1 918 . 1 1 168 168 PRO C C 13 174.955 0.055 . 1 . . . . . 168 Pro C . 27959 1 919 . 1 1 168 168 PRO CA C 13 63.369 0.119 . 1 . . . . . 168 Pro CA . 27959 1 920 . 1 1 168 168 PRO CB C 13 30.672 0.039 . 1 . . . . . 168 Pro CB . 27959 1 921 . 1 1 168 168 PRO CG C 13 27.760 0.000 . 1 . . . . . 168 Pro CG . 27959 1 922 . 1 1 168 168 PRO CD C 13 50.556 0.000 . 1 . . . . . 168 Pro CD . 27959 1 923 . 1 1 168 168 PRO N N 15 134.520 0.216 . 1 . . . . . 168 Pro N . 27959 1 924 . 1 1 169 169 TYR H H 1 8.708 0.007 . 1 . . . . . 169 Tyr H . 27959 1 925 . 1 1 169 169 TYR HA H 1 4.154 0.000 . 1 . . . . . 169 Tyr HA . 27959 1 926 . 1 1 169 169 TYR C C 13 173.535 0.052 . 1 . . . . . 169 Tyr C . 27959 1 927 . 1 1 169 169 TYR CA C 13 57.624 0.149 . 1 . . . . . 169 Tyr CA . 27959 1 928 . 1 1 169 169 TYR CB C 13 37.687 0.123 . 1 . . . . . 169 Tyr CB . 27959 1 929 . 1 1 169 169 TYR N N 15 114.623 0.163 . 1 . . . . . 169 Tyr N . 27959 1 930 . 1 1 170 170 LEU H H 1 7.118 0.004 . 1 . . . . . 170 Leu H . 27959 1 931 . 1 1 170 170 LEU HA H 1 4.702 0.000 . 1 . . . . . 170 Leu HA . 27959 1 932 . 1 1 170 170 LEU C C 13 176.613 0.051 . 1 . . . . . 170 Leu C . 27959 1 933 . 1 1 170 170 LEU CA C 13 52.641 0.081 . 1 . . . . . 170 Leu CA . 27959 1 934 . 1 1 170 170 LEU CB C 13 42.862 0.063 . 1 . . . . . 170 Leu CB . 27959 1 935 . 1 1 170 170 LEU CG C 13 28.892 0.002 . 1 . . . . . 170 Leu CG . 27959 1 936 . 1 1 170 170 LEU CD1 C 13 26.308 0.047 . 2 . . . . . 170 Leu CD1 . 27959 1 937 . 1 1 170 170 LEU CD2 C 13 22.142 0.018 . 2 . . . . . 170 Leu CD2 . 27959 1 938 . 1 1 170 170 LEU N N 15 114.196 0.140 . 1 . . . . . 170 Leu N . 27959 1 939 . 1 1 171 171 GLY H H 1 8.933 0.009 . 1 . . . . . 171 Gly H . 27959 1 940 . 1 1 171 171 GLY HA2 H 1 4.989 0.000 . 2 . . . . . 171 Gly HA2 . 27959 1 941 . 1 1 171 171 GLY HA3 H 1 4.503 0.000 . 2 . . . . . 171 Gly HA3 . 27959 1 942 . 1 1 171 171 GLY C C 13 174.458 0.046 . 1 . . . . . 171 Gly C . 27959 1 943 . 1 1 171 171 GLY CA C 13 46.312 0.076 . 1 . . . . . 171 Gly CA . 27959 1 944 . 1 1 171 171 GLY N N 15 105.313 0.296 . 1 . . . . . 171 Gly N . 27959 1 945 . 1 1 172 172 LYS HA H 1 4.330 0.000 . 1 . . . . . 172 Lys HA . 27959 1 946 . 1 1 172 172 LYS C C 13 178.318 0.059 . 1 . . . . . 172 Lys C . 27959 1 947 . 1 1 172 172 LYS CA C 13 56.249 0.106 . 1 . . . . . 172 Lys CA . 27959 1 948 . 1 1 172 172 LYS CB C 13 31.979 0.032 . 1 . . . . . 172 Lys CB . 27959 1 949 . 1 1 172 172 LYS CE C 13 42.107 0.000 . 1 . . . . . 172 Lys CE . 27959 1 950 . 1 1 172 172 LYS N N 15 119.638 0.133 . 1 . . . . . 172 Lys N . 27959 1 951 . 1 1 173 173 LEU H H 1 8.276 0.000 . 1 . . . . . 173 Leu H . 27959 1 952 . 1 1 173 173 LEU C C 13 179.887 0.055 . 1 . . . . . 173 Leu C . 27959 1 953 . 1 1 173 173 LEU CA C 13 59.381 0.082 . 1 . . . . . 173 Leu CA . 27959 1 954 . 1 1 173 173 LEU CB C 13 39.247 0.115 . 1 . . . . . 173 Leu CB . 27959 1 955 . 1 1 173 173 LEU CG C 13 26.984 0.000 . 1 . . . . . 173 Leu CG . 27959 1 956 . 1 1 173 173 LEU N N 15 126.597 0.191 . 1 . . . . . 173 Leu N . 27959 1 957 . 1 1 174 174 GLU H H 1 9.479 0.002 . 1 . . . . . 174 Glu H . 27959 1 958 . 1 1 174 174 GLU HA H 1 4.570 0.000 . 1 . . . . . 174 Glu HA . 27959 1 959 . 1 1 174 174 GLU C C 13 179.391 0.000 . 1 . . . . . 174 Glu C . 27959 1 960 . 1 1 174 174 GLU CA C 13 60.564 0.069 . 1 . . . . . 174 Glu CA . 27959 1 961 . 1 1 174 174 GLU CB C 13 29.938 0.076 . 1 . . . . . 174 Glu CB . 27959 1 962 . 1 1 174 174 GLU CG C 13 37.498 0.000 . 1 . . . . . 174 Glu CG . 27959 1 963 . 1 1 174 174 GLU N N 15 117.928 0.245 . 1 . . . . . 174 Glu N . 27959 1 964 . 1 1 175 175 TRP H H 1 7.356 0.000 . 1 . . . . . 175 Trp H . 27959 1 965 . 1 1 175 175 TRP HA H 1 4.901 0.000 . 1 . . . . . 175 Trp HA . 27959 1 966 . 1 1 175 175 TRP C C 13 179.378 0.009 . 1 . . . . . 175 Trp C . 27959 1 967 . 1 1 175 175 TRP CA C 13 57.000 0.074 . 1 . . . . . 175 Trp CA . 27959 1 968 . 1 1 175 175 TRP CB C 13 28.393 0.089 . 1 . . . . . 175 Trp CB . 27959 1 969 . 1 1 175 175 TRP CZ2 C 13 112.703 0.000 . 1 . . . . . 175 Trp CZ2 . 27959 1 970 . 1 1 175 175 TRP N N 15 119.318 0.117 . 1 . . . . . 175 Trp N . 27959 1 971 . 1 1 175 175 TRP NE1 N 15 131.033 0.146 . 1 . . . . . 175 Trp NE1 . 27959 1 972 . 1 1 176 176 ILE H H 1 7.747 0.000 . 1 . . . . . 176 Ile H . 27959 1 973 . 1 1 176 176 ILE HA H 1 3.879 0.000 . 1 . . . . . 176 Ile HA . 27959 1 974 . 1 1 176 176 ILE C C 13 179.050 0.054 . 1 . . . . . 176 Ile C . 27959 1 975 . 1 1 176 176 ILE CA C 13 65.331 0.000 . 1 . . . . . 176 Ile CA . 27959 1 976 . 1 1 176 176 ILE CB C 13 38.892 0.070 . 1 . . . . . 176 Ile CB . 27959 1 977 . 1 1 176 176 ILE CG1 C 13 28.658 0.128 . 1 . . . . . 176 Ile CG1 . 27959 1 978 . 1 1 176 176 ILE CG2 C 13 17.249 0.011 . 1 . . . . . 176 Ile CG2 . 27959 1 979 . 1 1 176 176 ILE CD1 C 13 15.400 0.000 . 1 . . . . . 176 Ile CD1 . 27959 1 980 . 1 1 176 176 ILE N N 15 121.321 0.120 . 1 . . . . . 176 Ile N . 27959 1 981 . 1 1 177 177 GLU H H 1 8.135 0.000 . 1 . . . . . 177 Glu H . 27959 1 982 . 1 1 177 177 GLU C C 13 179.108 0.082 . 1 . . . . . 177 Glu C . 27959 1 983 . 1 1 177 177 GLU CA C 13 59.356 0.069 . 1 . . . . . 177 Glu CA . 27959 1 984 . 1 1 177 177 GLU CB C 13 29.516 0.088 . 1 . . . . . 177 Glu CB . 27959 1 985 . 1 1 177 177 GLU CG C 13 36.687 0.000 . 1 . . . . . 177 Glu CG . 27959 1 986 . 1 1 177 177 GLU N N 15 119.162 0.188 . 1 . . . . . 177 Glu N . 27959 1 987 . 1 1 178 178 GLU H H 1 7.941 0.000 . 1 . . . . . 178 Glu H . 27959 1 988 . 1 1 178 178 GLU HA H 1 4.113 0.000 . 1 . . . . . 178 Glu HA . 27959 1 989 . 1 1 178 178 GLU C C 13 179.596 0.087 . 1 . . . . . 178 Glu C . 27959 1 990 . 1 1 178 178 GLU CA C 13 59.342 0.075 . 1 . . . . . 178 Glu CA . 27959 1 991 . 1 1 178 178 GLU CB C 13 29.431 0.022 . 1 . . . . . 178 Glu CB . 27959 1 992 . 1 1 178 178 GLU CG C 13 36.308 0.137 . 1 . . . . . 178 Glu CG . 27959 1 993 . 1 1 178 178 GLU CD C 13 183.472 0.071 . 1 . . . . . 178 Glu CD . 27959 1 994 . 1 1 178 178 GLU N N 15 120.230 0.155 . 1 . . . . . 178 Glu N . 27959 1 995 . 1 1 179 179 GLU H H 1 8.060 0.000 . 1 . . . . . 179 Glu H . 27959 1 996 . 1 1 179 179 GLU C C 13 179.033 0.000 . 1 . . . . . 179 Glu C . 27959 1 997 . 1 1 179 179 GLU CA C 13 59.445 0.000 . 1 . . . . . 179 Glu CA . 27959 1 998 . 1 1 179 179 GLU CB C 13 28.164 0.000 . 1 . . . . . 179 Glu CB . 27959 1 999 . 1 1 179 179 GLU N N 15 120.259 0.302 . 1 . . . . . 179 Glu N . 27959 1 1000 . 1 1 180 180 LYS C C 13 179.459 0.000 . 1 . . . . . 180 Lys C . 27959 1 1001 . 1 1 181 181 ALA C C 13 175.242 0.000 . 1 . . . . . 181 Ala C . 27959 1 1002 . 1 1 181 181 ALA CA C 13 54.341 0.165 . 1 . . . . . 181 Ala CA . 27959 1 1003 . 1 1 181 181 ALA CB C 13 18.098 0.000 . 1 . . . . . 181 Ala CB . 27959 1 1004 . 1 1 181 181 ALA N N 15 121.315 0.152 . 1 . . . . . 181 Ala N . 27959 1 stop_ save_