data_7021 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7021 _Entry.Title ; Backbone dynamics and domain motions of the Mip protein from legionella pneumophilia in solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-15 _Entry.Accession_date 2006-03-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Martin Horstmann . . . 7021 2 Philipp Ehses . . . 7021 3 Kristian Schweimer . . . 7021 4 Thilo Kamphausen . . . 7021 5 Gunter Fischer . . . 7021 6 Michael Steinert . . . 7021 7 org Hacker . . . 7021 8 Paul osch . . . 7021 9 Cornelius Faber . . . 7021 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7021 heteronucl_NOEs 1 7021 heteronucl_T1_relaxation 1 7021 heteronucl_T2_relaxation 1 7021 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 7021 '15N chemical shifts' 178 7021 '1H chemical shifts' 969 7021 'T1 relaxation values' 161 7021 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-11 . update BMRB 'spectrometer frequency corrected and T1 units changed from s to ms' 7021 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6334 'FKBB domain of LpMip' 7021 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7021 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17014083 _Citation.Full_citation . _Citation.Title 'Domain Motions of the Mip Protein from Legionella pneumophila' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 40 _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 12303 _Citation.Page_last 12311 _Citation.Year 2006 _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.Entry_ID _Citation_author.Citation_ID 1 Martin Horstmann . . . 7021 1 2 Philipp Ehses . . . 7021 1 3 Kristian Schweimer . . . 7021 1 4 Michael Steinert . . . 7021 1 5 Thilo Kamphausen . . . 7021 1 6 Gunter Fischer . . . 7021 1 7 Jorg Hacker . . . 7021 1 8 Paul Roesch . . . 7021 1 9 Cornelius Faber . . . 7021 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dispersion 7021 1 'domain motion' 7021 1 NMR 7021 1 relaxation 7021 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7021 _Assembly.ID 1 _Assembly.Name LpMip _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'LpMip is a homodimer' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7021 1 stop_ 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 'LpMip is a homodimer' 1 $LpMip . . . native . . 1 . . 7021 1 2 'LpMip is a homodimer' 1 $LpMip . . . native . . 1 . . 7021 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID LpMip abbreviation 7021 1 LpMip system 7021 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LpMip _Entity.Sf_category entity _Entity.Sf_framecode LpMip _Entity.Entry_ID 7021 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LpMip _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 ; ATDATSLATDKDKLSYSIGA DLGKNFKNQGIDVNPEAMAK GMQDAMSGAQLALTEQQMKD VLNKFQKDLMAKRTAEFNKK ADENKVKGEAFLTENKNKPG VVVLPSGLQYKVINSGNGVK PGKSDTVTVEYTGRLIDGTV FDSTEKTGKPATFQVSQVIP GWTEALQLMPAGSTWEIYVP SGLAYGPRSVGGPIGPNETL IFKIHLISVKKSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 213 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 homodimer _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID LpMip common 7021 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 7021 1 2 . THR . 7021 1 3 . ASP . 7021 1 4 . ALA . 7021 1 5 . THR . 7021 1 6 . SER . 7021 1 7 . LEU . 7021 1 8 . ALA . 7021 1 9 . THR . 7021 1 10 . ASP . 7021 1 11 . LYS . 7021 1 12 . ASP . 7021 1 13 . LYS . 7021 1 14 . LEU . 7021 1 15 . SER . 7021 1 16 . TYR . 7021 1 17 . SER . 7021 1 18 . ILE . 7021 1 19 . GLY . 7021 1 20 . ALA . 7021 1 21 . ASP . 7021 1 22 . LEU . 7021 1 23 . GLY . 7021 1 24 . LYS . 7021 1 25 . ASN . 7021 1 26 . PHE . 7021 1 27 . LYS . 7021 1 28 . ASN . 7021 1 29 . GLN . 7021 1 30 . GLY . 7021 1 31 . ILE . 7021 1 32 . ASP . 7021 1 33 . VAL . 7021 1 34 . ASN . 7021 1 35 . PRO . 7021 1 36 . GLU . 7021 1 37 . ALA . 7021 1 38 . MET . 7021 1 39 . ALA . 7021 1 40 . LYS . 7021 1 41 . GLY . 7021 1 42 . MET . 7021 1 43 . GLN . 7021 1 44 . ASP . 7021 1 45 . ALA . 7021 1 46 . MET . 7021 1 47 . SER . 7021 1 48 . GLY . 7021 1 49 . ALA . 7021 1 50 . GLN . 7021 1 51 . LEU . 7021 1 52 . ALA . 7021 1 53 . LEU . 7021 1 54 . THR . 7021 1 55 . GLU . 7021 1 56 . GLN . 7021 1 57 . GLN . 7021 1 58 . MET . 7021 1 59 . LYS . 7021 1 60 . ASP . 7021 1 61 . VAL . 7021 1 62 . LEU . 7021 1 63 . ASN . 7021 1 64 . LYS . 7021 1 65 . PHE . 7021 1 66 . GLN . 7021 1 67 . LYS . 7021 1 68 . ASP . 7021 1 69 . LEU . 7021 1 70 . MET . 7021 1 71 . ALA . 7021 1 72 . LYS . 7021 1 73 . ARG . 7021 1 74 . THR . 7021 1 75 . ALA . 7021 1 76 . GLU . 7021 1 77 . PHE . 7021 1 78 . ASN . 7021 1 79 . LYS . 7021 1 80 . LYS . 7021 1 81 . ALA . 7021 1 82 . ASP . 7021 1 83 . GLU . 7021 1 84 . ASN . 7021 1 85 . LYS . 7021 1 86 . VAL . 7021 1 87 . LYS . 7021 1 88 . GLY . 7021 1 89 . GLU . 7021 1 90 . ALA . 7021 1 91 . PHE . 7021 1 92 . LEU . 7021 1 93 . THR . 7021 1 94 . GLU . 7021 1 95 . ASN . 7021 1 96 . LYS . 7021 1 97 . ASN . 7021 1 98 . LYS . 7021 1 99 . PRO . 7021 1 100 . GLY . 7021 1 101 . VAL . 7021 1 102 . VAL . 7021 1 103 . VAL . 7021 1 104 . LEU . 7021 1 105 . PRO . 7021 1 106 . SER . 7021 1 107 . GLY . 7021 1 108 . LEU . 7021 1 109 . GLN . 7021 1 110 . TYR . 7021 1 111 . LYS . 7021 1 112 . VAL . 7021 1 113 . ILE . 7021 1 114 . ASN . 7021 1 115 . SER . 7021 1 116 . GLY . 7021 1 117 . ASN . 7021 1 118 . GLY . 7021 1 119 . VAL . 7021 1 120 . LYS . 7021 1 121 . PRO . 7021 1 122 . GLY . 7021 1 123 . LYS . 7021 1 124 . SER . 7021 1 125 . ASP . 7021 1 126 . THR . 7021 1 127 . VAL . 7021 1 128 . THR . 7021 1 129 . VAL . 7021 1 130 . GLU . 7021 1 131 . TYR . 7021 1 132 . THR . 7021 1 133 . GLY . 7021 1 134 . ARG . 7021 1 135 . LEU . 7021 1 136 . ILE . 7021 1 137 . ASP . 7021 1 138 . GLY . 7021 1 139 . THR . 7021 1 140 . VAL . 7021 1 141 . PHE . 7021 1 142 . ASP . 7021 1 143 . SER . 7021 1 144 . THR . 7021 1 145 . GLU . 7021 1 146 . LYS . 7021 1 147 . THR . 7021 1 148 . GLY . 7021 1 149 . LYS . 7021 1 150 . PRO . 7021 1 151 . ALA . 7021 1 152 . THR . 7021 1 153 . PHE . 7021 1 154 . GLN . 7021 1 155 . VAL . 7021 1 156 . SER . 7021 1 157 . GLN . 7021 1 158 . VAL . 7021 1 159 . ILE . 7021 1 160 . PRO . 7021 1 161 . GLY . 7021 1 162 . TRP . 7021 1 163 . THR . 7021 1 164 . GLU . 7021 1 165 . ALA . 7021 1 166 . LEU . 7021 1 167 . GLN . 7021 1 168 . LEU . 7021 1 169 . MET . 7021 1 170 . PRO . 7021 1 171 . ALA . 7021 1 172 . GLY . 7021 1 173 . SER . 7021 1 174 . THR . 7021 1 175 . TRP . 7021 1 176 . GLU . 7021 1 177 . ILE . 7021 1 178 . TYR . 7021 1 179 . VAL . 7021 1 180 . PRO . 7021 1 181 . SER . 7021 1 182 . GLY . 7021 1 183 . LEU . 7021 1 184 . ALA . 7021 1 185 . TYR . 7021 1 186 . GLY . 7021 1 187 . PRO . 7021 1 188 . ARG . 7021 1 189 . SER . 7021 1 190 . VAL . 7021 1 191 . GLY . 7021 1 192 . GLY . 7021 1 193 . PRO . 7021 1 194 . ILE . 7021 1 195 . GLY . 7021 1 196 . PRO . 7021 1 197 . ASN . 7021 1 198 . GLU . 7021 1 199 . THR . 7021 1 200 . LEU . 7021 1 201 . ILE . 7021 1 202 . PHE . 7021 1 203 . LYS . 7021 1 204 . ILE . 7021 1 205 . HIS . 7021 1 206 . LEU . 7021 1 207 . ILE . 7021 1 208 . SER . 7021 1 209 . VAL . 7021 1 210 . LYS . 7021 1 211 . LYS . 7021 1 212 . SER . 7021 1 213 . SER . 7021 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 . ALA 1 1 7021 1 . THR 2 2 7021 1 . ASP 3 3 7021 1 . ALA 4 4 7021 1 . THR 5 5 7021 1 . SER 6 6 7021 1 . LEU 7 7 7021 1 . ALA 8 8 7021 1 . THR 9 9 7021 1 . ASP 10 10 7021 1 . LYS 11 11 7021 1 . ASP 12 12 7021 1 . LYS 13 13 7021 1 . LEU 14 14 7021 1 . SER 15 15 7021 1 . TYR 16 16 7021 1 . SER 17 17 7021 1 . ILE 18 18 7021 1 . GLY 19 19 7021 1 . ALA 20 20 7021 1 . ASP 21 21 7021 1 . LEU 22 22 7021 1 . GLY 23 23 7021 1 . LYS 24 24 7021 1 . ASN 25 25 7021 1 . PHE 26 26 7021 1 . LYS 27 27 7021 1 . ASN 28 28 7021 1 . GLN 29 29 7021 1 . GLY 30 30 7021 1 . ILE 31 31 7021 1 . ASP 32 32 7021 1 . VAL 33 33 7021 1 . ASN 34 34 7021 1 . PRO 35 35 7021 1 . GLU 36 36 7021 1 . ALA 37 37 7021 1 . MET 38 38 7021 1 . ALA 39 39 7021 1 . LYS 40 40 7021 1 . GLY 41 41 7021 1 . MET 42 42 7021 1 . GLN 43 43 7021 1 . ASP 44 44 7021 1 . ALA 45 45 7021 1 . MET 46 46 7021 1 . SER 47 47 7021 1 . GLY 48 48 7021 1 . ALA 49 49 7021 1 . GLN 50 50 7021 1 . LEU 51 51 7021 1 . ALA 52 52 7021 1 . LEU 53 53 7021 1 . THR 54 54 7021 1 . GLU 55 55 7021 1 . GLN 56 56 7021 1 . GLN 57 57 7021 1 . MET 58 58 7021 1 . LYS 59 59 7021 1 . ASP 60 60 7021 1 . VAL 61 61 7021 1 . LEU 62 62 7021 1 . ASN 63 63 7021 1 . LYS 64 64 7021 1 . PHE 65 65 7021 1 . GLN 66 66 7021 1 . LYS 67 67 7021 1 . ASP 68 68 7021 1 . LEU 69 69 7021 1 . MET 70 70 7021 1 . ALA 71 71 7021 1 . LYS 72 72 7021 1 . ARG 73 73 7021 1 . THR 74 74 7021 1 . ALA 75 75 7021 1 . GLU 76 76 7021 1 . PHE 77 77 7021 1 . ASN 78 78 7021 1 . LYS 79 79 7021 1 . LYS 80 80 7021 1 . ALA 81 81 7021 1 . ASP 82 82 7021 1 . GLU 83 83 7021 1 . ASN 84 84 7021 1 . LYS 85 85 7021 1 . VAL 86 86 7021 1 . LYS 87 87 7021 1 . GLY 88 88 7021 1 . GLU 89 89 7021 1 . ALA 90 90 7021 1 . PHE 91 91 7021 1 . LEU 92 92 7021 1 . THR 93 93 7021 1 . GLU 94 94 7021 1 . ASN 95 95 7021 1 . LYS 96 96 7021 1 . ASN 97 97 7021 1 . LYS 98 98 7021 1 . PRO 99 99 7021 1 . GLY 100 100 7021 1 . VAL 101 101 7021 1 . VAL 102 102 7021 1 . VAL 103 103 7021 1 . LEU 104 104 7021 1 . PRO 105 105 7021 1 . SER 106 106 7021 1 . GLY 107 107 7021 1 . LEU 108 108 7021 1 . GLN 109 109 7021 1 . TYR 110 110 7021 1 . LYS 111 111 7021 1 . VAL 112 112 7021 1 . ILE 113 113 7021 1 . ASN 114 114 7021 1 . SER 115 115 7021 1 . GLY 116 116 7021 1 . ASN 117 117 7021 1 . GLY 118 118 7021 1 . VAL 119 119 7021 1 . LYS 120 120 7021 1 . PRO 121 121 7021 1 . GLY 122 122 7021 1 . LYS 123 123 7021 1 . SER 124 124 7021 1 . ASP 125 125 7021 1 . THR 126 126 7021 1 . VAL 127 127 7021 1 . THR 128 128 7021 1 . VAL 129 129 7021 1 . GLU 130 130 7021 1 . TYR 131 131 7021 1 . THR 132 132 7021 1 . GLY 133 133 7021 1 . ARG 134 134 7021 1 . LEU 135 135 7021 1 . ILE 136 136 7021 1 . ASP 137 137 7021 1 . GLY 138 138 7021 1 . THR 139 139 7021 1 . VAL 140 140 7021 1 . PHE 141 141 7021 1 . ASP 142 142 7021 1 . SER 143 143 7021 1 . THR 144 144 7021 1 . GLU 145 145 7021 1 . LYS 146 146 7021 1 . THR 147 147 7021 1 . GLY 148 148 7021 1 . LYS 149 149 7021 1 . PRO 150 150 7021 1 . ALA 151 151 7021 1 . THR 152 152 7021 1 . PHE 153 153 7021 1 . GLN 154 154 7021 1 . VAL 155 155 7021 1 . SER 156 156 7021 1 . GLN 157 157 7021 1 . VAL 158 158 7021 1 . ILE 159 159 7021 1 . PRO 160 160 7021 1 . GLY 161 161 7021 1 . TRP 162 162 7021 1 . THR 163 163 7021 1 . GLU 164 164 7021 1 . ALA 165 165 7021 1 . LEU 166 166 7021 1 . GLN 167 167 7021 1 . LEU 168 168 7021 1 . MET 169 169 7021 1 . PRO 170 170 7021 1 . ALA 171 171 7021 1 . GLY 172 172 7021 1 . SER 173 173 7021 1 . THR 174 174 7021 1 . TRP 175 175 7021 1 . GLU 176 176 7021 1 . ILE 177 177 7021 1 . TYR 178 178 7021 1 . VAL 179 179 7021 1 . PRO 180 180 7021 1 . SER 181 181 7021 1 . GLY 182 182 7021 1 . LEU 183 183 7021 1 . ALA 184 184 7021 1 . TYR 185 185 7021 1 . GLY 186 186 7021 1 . PRO 187 187 7021 1 . ARG 188 188 7021 1 . SER 189 189 7021 1 . VAL 190 190 7021 1 . GLY 191 191 7021 1 . GLY 192 192 7021 1 . PRO 193 193 7021 1 . ILE 194 194 7021 1 . GLY 195 195 7021 1 . PRO 196 196 7021 1 . ASN 197 197 7021 1 . GLU 198 198 7021 1 . THR 199 199 7021 1 . LEU 200 200 7021 1 . ILE 201 201 7021 1 . PHE 202 202 7021 1 . LYS 203 203 7021 1 . ILE 204 204 7021 1 . HIS 205 205 7021 1 . LEU 206 206 7021 1 . ILE 207 207 7021 1 . SER 208 208 7021 1 . VAL 209 209 7021 1 . LYS 210 210 7021 1 . LYS 211 211 7021 1 . SER 212 212 7021 1 . SER 213 213 7021 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 7021 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $LpMip . 446 . . 'Legionella L. pneumophila' 'Legionella pneumophila' . . Eubacteria . Legionella 'L. pneumophila' . . . . . . . . . . . . . . . . . . . . . 7021 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 7021 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $LpMip . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7021 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 LpMip '[U-13C; U-15N]' . . 1 $LpMip . . 0.9 . . mM . . . . 7021 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7021 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 7021 1 temperature 298 0.1 K 7021 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_700 _NMR_spectrometer.Entry_ID 7021 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_Bruker_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_800 _NMR_spectrometer.Entry_ID 7021 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7021 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_700 Bruker Avance . 700 . . . 7021 1 2 Bruker_800 Bruker Avance . 800 . . . 7021 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 7021 _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 '1H15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 2 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 3 HNCO . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 4 HNCACB . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 5 HNCA . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 6 HBHA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 7 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 8 HCCHTOCSY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 9 '15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 10 '13C NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 11 '15N 15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7021 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA(CO)NH _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCHTOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCHTOCSY _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_NOESY _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_NOESY _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_15N_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_15N_NOESY _NMR_spec_expt.Entry_ID 7021 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N 15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7021 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7021 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7021 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7021 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7021 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 . 7021 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.077 0.02 . 1 . . . . . . . . 7021 1 2 . 1 1 1 1 ALA HB1 H 1 1.420 0.02 . 1 . . . . . . . . 7021 1 3 . 1 1 1 1 ALA HB2 H 1 1.420 0.02 . 1 . . . . . . . . 7021 1 4 . 1 1 1 1 ALA HB3 H 1 1.420 0.02 . 1 . . . . . . . . 7021 1 5 . 1 1 1 1 ALA C C 13 173.908 0.05 . 1 . . . . . . . . 7021 1 6 . 1 1 1 1 ALA CA C 13 51.887 0.05 . 1 . . . . . . . . 7021 1 7 . 1 1 1 1 ALA CB C 13 19.295 0.05 . 1 . . . . . . . . 7021 1 8 . 1 1 2 2 THR H H 1 8.575 0.02 . 1 . . . . . . . . 7021 1 9 . 1 1 2 2 THR HA H 1 4.189 0.02 . 1 . . . . . . . . 7021 1 10 . 1 1 2 2 THR HB H 1 3.997 0.02 . 1 . . . . . . . . 7021 1 11 . 1 1 2 2 THR C C 13 173.640 0.05 . 1 . . . . . . . . 7021 1 12 . 1 1 2 2 THR CA C 13 62.490 0.05 . 1 . . . . . . . . 7021 1 13 . 1 1 2 2 THR CB C 13 69.410 0.05 . 1 . . . . . . . . 7021 1 14 . 1 1 2 2 THR N N 15 116.477 0.05 . 1 . . . . . . . . 7021 1 15 . 1 1 3 3 ASP H H 1 8.462 0.02 . 1 . . . . . . . . 7021 1 16 . 1 1 3 3 ASP HA H 1 4.514 0.02 . 1 . . . . . . . . 7021 1 17 . 1 1 3 3 ASP HB2 H 1 2.576 0.02 . 1 . . . . . . . . 7021 1 18 . 1 1 3 3 ASP HB3 H 1 2.576 0.02 . 1 . . . . . . . . 7021 1 19 . 1 1 3 3 ASP C C 13 176.440 0.05 . 1 . . . . . . . . 7021 1 20 . 1 1 3 3 ASP CA C 13 53.896 0.05 . 1 . . . . . . . . 7021 1 21 . 1 1 3 3 ASP CB C 13 41.283 0.05 . 1 . . . . . . . . 7021 1 22 . 1 1 3 3 ASP N N 15 124.681 0.05 . 1 . . . . . . . . 7021 1 23 . 1 1 4 4 ALA H H 1 8.564 0.02 . 1 . . . . . . . . 7021 1 24 . 1 1 4 4 ALA HA H 1 4.027 0.02 . 1 . . . . . . . . 7021 1 25 . 1 1 4 4 ALA HB1 H 1 1.307 0.02 . 1 . . . . . . . . 7021 1 26 . 1 1 4 4 ALA HB2 H 1 1.307 0.02 . 1 . . . . . . . . 7021 1 27 . 1 1 4 4 ALA HB3 H 1 1.307 0.02 . 1 . . . . . . . . 7021 1 28 . 1 1 4 4 ALA C C 13 178.626 0.05 . 1 . . . . . . . . 7021 1 29 . 1 1 4 4 ALA CA C 13 53.673 0.05 . 1 . . . . . . . . 7021 1 30 . 1 1 4 4 ALA CB C 13 18.849 0.05 . 1 . . . . . . . . 7021 1 31 . 1 1 4 4 ALA N N 15 126.490 0.05 . 1 . . . . . . . . 7021 1 32 . 1 1 5 5 THR H H 1 8.196 0.02 . 1 . . . . . . . . 7021 1 33 . 1 1 5 5 THR HA H 1 4.066 0.02 . 1 . . . . . . . . 7021 1 34 . 1 1 5 5 THR HB H 1 4.066 0.02 . 1 . . . . . . . . 7021 1 35 . 1 1 5 5 THR HG21 H 1 1.069 0.02 . 1 . . . . . . . . 7021 1 36 . 1 1 5 5 THR HG22 H 1 1.069 0.02 . 1 . . . . . . . . 7021 1 37 . 1 1 5 5 THR HG23 H 1 1.069 0.02 . 1 . . . . . . . . 7021 1 38 . 1 1 5 5 THR C C 13 174.946 0.05 . 1 . . . . . . . . 7021 1 39 . 1 1 5 5 THR CA C 13 62.890 0.05 . 1 . . . . . . . . 7021 1 40 . 1 1 5 5 THR CB C 13 69.270 0.05 . 1 . . . . . . . . 7021 1 41 . 1 1 5 5 THR N N 15 112.869 0.05 . 1 . . . . . . . . 7021 1 42 . 1 1 6 6 SER H H 1 8.001 0.02 . 1 . . . . . . . . 7021 1 43 . 1 1 6 6 SER HA H 1 4.274 0.02 . 1 . . . . . . . . 7021 1 44 . 1 1 6 6 SER HB2 H 1 3.759 0.02 . 1 . . . . . . . . 7021 1 45 . 1 1 6 6 SER HB3 H 1 3.759 0.02 . 1 . . . . . . . . 7021 1 46 . 1 1 6 6 SER C C 13 174.090 0.05 . 1 . . . . . . . . 7021 1 47 . 1 1 6 6 SER CA C 13 58.860 0.05 . 1 . . . . . . . . 7021 1 48 . 1 1 6 6 SER CB C 13 63.470 0.05 . 1 . . . . . . . . 7021 1 49 . 1 1 6 6 SER N N 15 118.260 0.05 . 1 . . . . . . . . 7021 1 50 . 1 1 7 7 LEU H H 1 7.954 0.02 . 1 . . . . . . . . 7021 1 51 . 1 1 7 7 LEU HA H 1 4.301 0.02 . 1 . . . . . . . . 7021 1 52 . 1 1 7 7 LEU HB2 H 1 0.871 0.02 . 2 . . . . . . . . 7021 1 53 . 1 1 7 7 LEU HB3 H 1 1.632 0.02 . 2 . . . . . . . . 7021 1 54 . 1 1 7 7 LEU HG H 1 1.212 0.02 . 1 . . . . . . . . 7021 1 55 . 1 1 7 7 LEU HD11 H 1 0.124 0.02 . 2 . . . . . . . . 7021 1 56 . 1 1 7 7 LEU HD12 H 1 0.124 0.02 . 2 . . . . . . . . 7021 1 57 . 1 1 7 7 LEU HD13 H 1 0.124 0.02 . 2 . . . . . . . . 7021 1 58 . 1 1 7 7 LEU HD21 H 1 0.525 0.02 . 2 . . . . . . . . 7021 1 59 . 1 1 7 7 LEU HD22 H 1 0.525 0.02 . 2 . . . . . . . . 7021 1 60 . 1 1 7 7 LEU HD23 H 1 0.525 0.02 . 2 . . . . . . . . 7021 1 61 . 1 1 7 7 LEU C C 13 175.289 0.05 . 1 . . . . . . . . 7021 1 62 . 1 1 7 7 LEU CA C 13 53.080 0.05 . 1 . . . . . . . . 7021 1 63 . 1 1 7 7 LEU CB C 13 40.530 0.05 . 1 . . . . . . . . 7021 1 64 . 1 1 7 7 LEU CG C 13 25.607 0.05 . 1 . . . . . . . . 7021 1 65 . 1 1 7 7 LEU CD1 C 13 25.334 0.05 . 1 . . . . . . . . 7021 1 66 . 1 1 7 7 LEU CD2 C 13 22.600 0.05 . 1 . . . . . . . . 7021 1 67 . 1 1 7 7 LEU N N 15 124.395 0.05 . 1 . . . . . . . . 7021 1 68 . 1 1 8 8 ALA H H 1 8.217 0.02 . 1 . . . . . . . . 7021 1 69 . 1 1 8 8 ALA HA H 1 4.127 0.02 . 1 . . . . . . . . 7021 1 70 . 1 1 8 8 ALA HB1 H 1 1.322 0.02 . 1 . . . . . . . . 7021 1 71 . 1 1 8 8 ALA HB2 H 1 1.322 0.02 . 1 . . . . . . . . 7021 1 72 . 1 1 8 8 ALA HB3 H 1 1.322 0.02 . 1 . . . . . . . . 7021 1 73 . 1 1 8 8 ALA C C 13 178.536 0.05 . 1 . . . . . . . . 7021 1 74 . 1 1 8 8 ALA CA C 13 54.270 0.05 . 1 . . . . . . . . 7021 1 75 . 1 1 8 8 ALA CB C 13 20.300 0.05 . 1 . . . . . . . . 7021 1 76 . 1 1 8 8 ALA N N 15 124.159 0.05 . 1 . . . . . . . . 7021 1 77 . 1 1 9 9 THR H H 1 7.946 0.02 . 1 . . . . . . . . 7021 1 78 . 1 1 9 9 THR C C 13 175.617 0.05 . 1 . . . . . . . . 7021 1 79 . 1 1 9 9 THR CA C 13 59.588 0.05 . 1 . . . . . . . . 7021 1 80 . 1 1 9 9 THR CB C 13 72.201 0.05 . 1 . . . . . . . . 7021 1 81 . 1 1 9 9 THR N N 15 107.333 0.05 . 1 . . . . . . . . 7021 1 82 . 1 1 10 10 ASP H H 1 8.961 0.02 . 1 . . . . . . . . 7021 1 83 . 1 1 10 10 ASP HA H 1 4.636 0.02 . 1 . . . . . . . . 7021 1 84 . 1 1 10 10 ASP HB2 H 1 2.665 0.02 . 2 . . . . . . . . 7021 1 85 . 1 1 10 10 ASP HB3 H 1 2.754 0.02 . 2 . . . . . . . . 7021 1 86 . 1 1 10 10 ASP C C 13 178.748 0.05 . 1 . . . . . . . . 7021 1 87 . 1 1 10 10 ASP CA C 13 57.691 0.05 . 1 . . . . . . . . 7021 1 88 . 1 1 10 10 ASP CB C 13 39.274 0.05 . 1 . . . . . . . . 7021 1 89 . 1 1 10 10 ASP N N 15 123.387 0.05 . 1 . . . . . . . . 7021 1 90 . 1 1 11 11 LYS H H 1 8.425 0.02 . 1 . . . . . . . . 7021 1 91 . 1 1 11 11 LYS HA H 1 4.229 0.02 . 1 . . . . . . . . 7021 1 92 . 1 1 11 11 LYS HB2 H 1 1.580 0.02 . 1 . . . . . . . . 7021 1 93 . 1 1 11 11 LYS HB3 H 1 1.580 0.02 . 1 . . . . . . . . 7021 1 94 . 1 1 11 11 LYS HD2 H 1 2.010 0.02 . 2 . . . . . . . . 7021 1 95 . 1 1 11 11 LYS HD3 H 1 1.800 0.02 . 2 . . . . . . . . 7021 1 96 . 1 1 11 11 LYS C C 13 180.119 0.05 . 1 . . . . . . . . 7021 1 97 . 1 1 11 11 LYS CA C 13 59.365 0.05 . 1 . . . . . . . . 7021 1 98 . 1 1 11 11 LYS CB C 13 31.796 0.05 . 1 . . . . . . . . 7021 1 99 . 1 1 11 11 LYS CG C 13 23.800 0.05 . 1 . . . . . . . . 7021 1 100 . 1 1 11 11 LYS CE C 13 36.100 0.05 . 1 . . . . . . . . 7021 1 101 . 1 1 11 11 LYS N N 15 121.898 0.05 . 1 . . . . . . . . 7021 1 102 . 1 1 12 12 ASP H H 1 8.035 0.02 . 1 . . . . . . . . 7021 1 103 . 1 1 12 12 ASP HA H 1 4.220 0.02 . 1 . . . . . . . . 7021 1 104 . 1 1 12 12 ASP HB2 H 1 2.596 0.02 . 2 . . . . . . . . 7021 1 105 . 1 1 12 12 ASP C C 13 178.080 0.05 . 1 . . . . . . . . 7021 1 106 . 1 1 12 12 ASP CA C 13 58.357 0.05 . 1 . . . . . . . . 7021 1 107 . 1 1 12 12 ASP CB C 13 40.046 0.05 . 1 . . . . . . . . 7021 1 108 . 1 1 12 12 ASP N N 15 125.640 0.05 . 1 . . . . . . . . 7021 1 109 . 1 1 13 13 LYS H H 1 8.220 0.02 . 1 . . . . . . . . 7021 1 110 . 1 1 13 13 LYS C C 13 175.883 0.05 . 1 . . . . . . . . 7021 1 111 . 1 1 13 13 LYS CA C 13 60.730 0.05 . 1 . . . . . . . . 7021 1 112 . 1 1 13 13 LYS CB C 13 32.990 0.05 . 1 . . . . . . . . 7021 1 113 . 1 1 13 13 LYS N N 15 120.950 0.05 . 1 . . . . . . . . 7021 1 114 . 1 1 14 14 LEU H H 1 8.832 0.02 . 1 . . . . . . . . 7021 1 115 . 1 1 14 14 LEU HD11 H 1 1.064 0.02 . 2 . . . . . . . . 7021 1 116 . 1 1 14 14 LEU HD12 H 1 1.064 0.02 . 2 . . . . . . . . 7021 1 117 . 1 1 14 14 LEU HD13 H 1 1.064 0.02 . 2 . . . . . . . . 7021 1 118 . 1 1 14 14 LEU C C 13 177.624 0.05 . 1 . . . . . . . . 7021 1 119 . 1 1 14 14 LEU CA C 13 58.290 0.05 . 1 . . . . . . . . 7021 1 120 . 1 1 14 14 LEU CB C 13 40.504 0.05 . 1 . . . . . . . . 7021 1 121 . 1 1 14 14 LEU CG C 13 24.100 0.05 . 1 . . . . . . . . 7021 1 122 . 1 1 14 14 LEU CD1 C 13 22.500 0.05 . 1 . . . . . . . . 7021 1 123 . 1 1 14 14 LEU N N 15 123.950 0.05 . 1 . . . . . . . . 7021 1 124 . 1 1 15 15 SER H H 1 7.860 0.02 . 1 . . . . . . . . 7021 1 125 . 1 1 15 15 SER HA H 1 4.220 0.02 . 1 . . . . . . . . 7021 1 126 . 1 1 15 15 SER HB2 H 1 3.980 0.02 . 2 . . . . . . . . 7021 1 127 . 1 1 15 15 SER HB3 H 1 3.650 0.02 . 2 . . . . . . . . 7021 1 128 . 1 1 15 15 SER CA C 13 57.047 0.05 . 1 . . . . . . . . 7021 1 129 . 1 1 15 15 SER CB C 13 63.932 0.05 . 1 . . . . . . . . 7021 1 130 . 1 1 15 15 SER N N 15 114.500 0.05 . 1 . . . . . . . . 7021 1 131 . 1 1 16 16 TYR H H 1 8.490 0.02 . 1 . . . . . . . . 7021 1 132 . 1 1 16 16 TYR HA H 1 3.970 0.02 . 1 . . . . . . . . 7021 1 133 . 1 1 16 16 TYR HB2 H 1 2.850 0.02 . 2 . . . . . . . . 7021 1 134 . 1 1 16 16 TYR HB3 H 1 2.790 0.02 . 2 . . . . . . . . 7021 1 135 . 1 1 16 16 TYR CA C 13 61.828 0.05 . 1 . . . . . . . . 7021 1 136 . 1 1 16 16 TYR CB C 13 39.739 0.05 . 1 . . . . . . . . 7021 1 137 . 1 1 16 16 TYR N N 15 122.840 0.05 . 1 . . . . . . . . 7021 1 138 . 1 1 17 17 SER H H 1 7.900 0.02 . 1 . . . . . . . . 7021 1 139 . 1 1 17 17 SER HA H 1 3.861 0.02 . 1 . . . . . . . . 7021 1 140 . 1 1 17 17 SER HB2 H 1 4.086 0.02 . 2 . . . . . . . . 7021 1 141 . 1 1 17 17 SER CA C 13 63.500 0.05 . 1 . . . . . . . . 7021 1 142 . 1 1 17 17 SER N N 15 115.400 0.05 . 1 . . . . . . . . 7021 1 143 . 1 1 18 18 ILE H H 1 8.440 0.02 . 1 . . . . . . . . 7021 1 144 . 1 1 18 18 ILE N N 15 122.800 0.05 . 1 . . . . . . . . 7021 1 145 . 1 1 19 19 GLY HA2 H 1 3.743 0.02 . 2 . . . . . . . . 7021 1 146 . 1 1 19 19 GLY HA3 H 1 3.849 0.02 . 2 . . . . . . . . 7021 1 147 . 1 1 19 19 GLY CA C 13 45.400 0.05 . 1 . . . . . . . . 7021 1 148 . 1 1 20 20 ALA H H 1 8.020 0.02 . 1 . . . . . . . . 7021 1 149 . 1 1 20 20 ALA HA H 1 4.200 0.02 . 1 . . . . . . . . 7021 1 150 . 1 1 20 20 ALA HB1 H 1 1.480 0.02 . 1 . . . . . . . . 7021 1 151 . 1 1 20 20 ALA HB2 H 1 1.480 0.02 . 1 . . . . . . . . 7021 1 152 . 1 1 20 20 ALA HB3 H 1 1.480 0.02 . 1 . . . . . . . . 7021 1 153 . 1 1 20 20 ALA CA C 13 55.039 0.05 . 1 . . . . . . . . 7021 1 154 . 1 1 20 20 ALA CB C 13 17.746 0.05 . 1 . . . . . . . . 7021 1 155 . 1 1 20 20 ALA N N 15 124.556 0.05 . 1 . . . . . . . . 7021 1 156 . 1 1 22 22 LEU CA C 13 54.700 0.05 . 1 . . . . . . . . 7021 1 157 . 1 1 22 22 LEU CB C 13 40.800 0.05 . 1 . . . . . . . . 7021 1 158 . 1 1 23 23 GLY H H 1 8.414 0.02 . 1 . . . . . . . . 7021 1 159 . 1 1 23 23 GLY CA C 13 47.640 0.05 . 1 . . . . . . . . 7021 1 160 . 1 1 23 23 GLY N N 15 110.030 0.05 . 1 . . . . . . . . 7021 1 161 . 1 1 27 27 LYS HA H 1 4.430 0.02 . 1 . . . . . . . . 7021 1 162 . 1 1 27 27 LYS HB2 H 1 2.292 0.02 . 2 . . . . . . . . 7021 1 163 . 1 1 27 27 LYS HG2 H 1 1.920 0.02 . 2 . . . . . . . . 7021 1 164 . 1 1 27 27 LYS CA C 13 58.800 0.05 . 1 . . . . . . . . 7021 1 165 . 1 1 27 27 LYS CB C 13 29.000 0.05 . 1 . . . . . . . . 7021 1 166 . 1 1 27 27 LYS CG C 13 24.000 0.05 . 1 . . . . . . . . 7021 1 167 . 1 1 27 27 LYS CD C 13 32.000 0.05 . 1 . . . . . . . . 7021 1 168 . 1 1 27 27 LYS CE C 13 42.150 0.05 . 1 . . . . . . . . 7021 1 169 . 1 1 28 28 ASN H H 1 8.220 0.02 . 1 . . . . . . . . 7021 1 170 . 1 1 28 28 ASN HA H 1 4.400 0.02 . 1 . . . . . . . . 7021 1 171 . 1 1 28 28 ASN HB2 H 1 2.850 0.02 . 2 . . . . . . . . 7021 1 172 . 1 1 28 28 ASN HB3 H 1 2.970 0.02 . 2 . . . . . . . . 7021 1 173 . 1 1 28 28 ASN HD21 H 1 6.820 0.02 . 2 . . . . . . . . 7021 1 174 . 1 1 28 28 ASN CA C 13 55.710 0.05 . 1 . . . . . . . . 7021 1 175 . 1 1 28 28 ASN CB C 13 37.860 0.05 . 1 . . . . . . . . 7021 1 176 . 1 1 28 28 ASN N N 15 119.200 0.05 . 1 . . . . . . . . 7021 1 177 . 1 1 29 29 GLN H H 1 7.910 0.02 . 1 . . . . . . . . 7021 1 178 . 1 1 29 29 GLN HA H 1 4.300 0.02 . 1 . . . . . . . . 7021 1 179 . 1 1 29 29 GLN HB2 H 1 1.976 0.02 . 2 . . . . . . . . 7021 1 180 . 1 1 29 29 GLN HB3 H 1 2.250 0.02 . 2 . . . . . . . . 7021 1 181 . 1 1 29 29 GLN HG2 H 1 2.240 0.02 . 2 . . . . . . . . 7021 1 182 . 1 1 29 29 GLN HG3 H 1 2.480 0.02 . 2 . . . . . . . . 7021 1 183 . 1 1 29 29 GLN CA C 13 56.000 0.05 . 1 . . . . . . . . 7021 1 184 . 1 1 29 29 GLN CB C 13 30.080 0.05 . 1 . . . . . . . . 7021 1 185 . 1 1 29 29 GLN CG C 13 34.200 0.05 . 1 . . . . . . . . 7021 1 186 . 1 1 29 29 GLN N N 15 116.430 0.05 . 1 . . . . . . . . 7021 1 187 . 1 1 30 30 GLY H H 1 7.800 0.02 . 1 . . . . . . . . 7021 1 188 . 1 1 30 30 GLY HA2 H 1 3.930 0.02 . 2 . . . . . . . . 7021 1 189 . 1 1 30 30 GLY C C 13 174.544 0.05 . 1 . . . . . . . . 7021 1 190 . 1 1 30 30 GLY CA C 13 46.433 0.05 . 1 . . . . . . . . 7021 1 191 . 1 1 30 30 GLY N N 15 109.525 0.05 . 1 . . . . . . . . 7021 1 192 . 1 1 31 31 ILE H H 1 8.190 0.02 . 1 . . . . . . . . 7021 1 193 . 1 1 31 31 ILE HA H 1 3.740 0.02 . 1 . . . . . . . . 7021 1 194 . 1 1 31 31 ILE HB H 1 1.410 0.02 . 1 . . . . . . . . 7021 1 195 . 1 1 31 31 ILE HG12 H 1 0.362 0.02 . 1 . . . . . . . . 7021 1 196 . 1 1 31 31 ILE CA C 13 60.248 0.05 . 1 . . . . . . . . 7021 1 197 . 1 1 31 31 ILE CB C 13 38.381 0.05 . 1 . . . . . . . . 7021 1 198 . 1 1 31 31 ILE CG1 C 13 20.530 0.05 . 1 . . . . . . . . 7021 1 199 . 1 1 31 31 ILE CG2 C 13 16.490 0.05 . 1 . . . . . . . . 7021 1 200 . 1 1 31 31 ILE CD1 C 13 12.450 0.05 . 1 . . . . . . . . 7021 1 201 . 1 1 31 31 ILE N N 15 121.713 0.05 . 1 . . . . . . . . 7021 1 202 . 1 1 32 32 ASP H H 1 8.300 0.02 . 1 . . . . . . . . 7021 1 203 . 1 1 32 32 ASP HA H 1 4.620 0.02 . 1 . . . . . . . . 7021 1 204 . 1 1 32 32 ASP C C 13 174.710 0.05 . 1 . . . . . . . . 7021 1 205 . 1 1 32 32 ASP CA C 13 53.130 0.05 . 1 . . . . . . . . 7021 1 206 . 1 1 32 32 ASP CB C 13 41.440 0.05 . 1 . . . . . . . . 7021 1 207 . 1 1 32 32 ASP N N 15 128.800 0.05 . 1 . . . . . . . . 7021 1 208 . 1 1 33 33 VAL H H 1 6.960 0.02 . 1 . . . . . . . . 7021 1 209 . 1 1 33 33 VAL HA H 1 4.010 0.02 . 1 . . . . . . . . 7021 1 210 . 1 1 33 33 VAL HB H 1 1.420 0.02 . 1 . . . . . . . . 7021 1 211 . 1 1 33 33 VAL HG11 H 1 0.440 0.02 . 2 . . . . . . . . 7021 1 212 . 1 1 33 33 VAL HG12 H 1 0.440 0.02 . 2 . . . . . . . . 7021 1 213 . 1 1 33 33 VAL HG13 H 1 0.440 0.02 . 2 . . . . . . . . 7021 1 214 . 1 1 33 33 VAL HG21 H 1 0.240 0.02 . 2 . . . . . . . . 7021 1 215 . 1 1 33 33 VAL HG22 H 1 0.240 0.02 . 2 . . . . . . . . 7021 1 216 . 1 1 33 33 VAL HG23 H 1 0.240 0.02 . 2 . . . . . . . . 7021 1 217 . 1 1 33 33 VAL CA C 13 59.070 0.05 . 1 . . . . . . . . 7021 1 218 . 1 1 33 33 VAL CB C 13 35.664 0.05 . 1 . . . . . . . . 7021 1 219 . 1 1 33 33 VAL CG2 C 13 20.787 0.05 . 1 . . . . . . . . 7021 1 220 . 1 1 33 33 VAL N N 15 116.838 0.05 . 1 . . . . . . . . 7021 1 221 . 1 1 34 34 ASN H H 1 8.820 0.02 . 1 . . . . . . . . 7021 1 222 . 1 1 34 34 ASN HA H 1 5.100 0.02 . 1 . . . . . . . . 7021 1 223 . 1 1 35 35 PRO HA H 1 3.800 0.02 . 1 . . . . . . . . 7021 1 224 . 1 1 35 35 PRO HB2 H 1 1.900 0.02 . 2 . . . . . . . . 7021 1 225 . 1 1 35 35 PRO HB3 H 1 2.100 0.02 . 2 . . . . . . . . 7021 1 226 . 1 1 35 35 PRO C C 13 179.093 0.05 . 1 . . . . . . . . 7021 1 227 . 1 1 35 35 PRO CA C 13 64.874 0.05 . 1 . . . . . . . . 7021 1 228 . 1 1 35 35 PRO CB C 13 33.036 0.05 . 1 . . . . . . . . 7021 1 229 . 1 1 35 35 PRO CG C 13 27.700 0.05 . 1 . . . . . . . . 7021 1 230 . 1 1 35 35 PRO CD C 13 45.400 0.05 . 1 . . . . . . . . 7021 1 231 . 1 1 36 36 GLU H H 1 7.638 0.02 . 1 . . . . . . . . 7021 1 232 . 1 1 36 36 GLU HA H 1 3.930 0.02 . 1 . . . . . . . . 7021 1 233 . 1 1 36 36 GLU HB2 H 1 1.970 0.02 . 2 . . . . . . . . 7021 1 234 . 1 1 36 36 GLU HG2 H 1 2.120 0.02 . 2 . . . . . . . . 7021 1 235 . 1 1 36 36 GLU HG3 H 1 2.230 0.02 . 2 . . . . . . . . 7021 1 236 . 1 1 36 36 GLU CA C 13 59.080 0.05 . 1 . . . . . . . . 7021 1 237 . 1 1 36 36 GLU CB C 13 28.800 0.05 . 1 . . . . . . . . 7021 1 238 . 1 1 36 36 GLU CG C 13 36.000 0.05 . 1 . . . . . . . . 7021 1 239 . 1 1 36 36 GLU N N 15 115.747 0.05 . 1 . . . . . . . . 7021 1 240 . 1 1 37 37 ALA H H 1 6.700 0.02 . 1 . . . . . . . . 7021 1 241 . 1 1 37 37 ALA HA H 1 4.120 0.02 . 1 . . . . . . . . 7021 1 242 . 1 1 37 37 ALA HB1 H 1 1.410 0.02 . 1 . . . . . . . . 7021 1 243 . 1 1 37 37 ALA HB2 H 1 1.410 0.02 . 1 . . . . . . . . 7021 1 244 . 1 1 37 37 ALA HB3 H 1 1.410 0.02 . 1 . . . . . . . . 7021 1 245 . 1 1 37 37 ALA C C 13 179.276 0.05 . 1 . . . . . . . . 7021 1 246 . 1 1 37 37 ALA CA C 13 54.210 0.05 . 1 . . . . . . . . 7021 1 247 . 1 1 37 37 ALA CB C 13 18.430 0.05 . 1 . . . . . . . . 7021 1 248 . 1 1 37 37 ALA N N 15 122.525 0.05 . 1 . . . . . . . . 7021 1 249 . 1 1 38 38 MET H H 1 7.650 0.02 . 1 . . . . . . . . 7021 1 250 . 1 1 38 38 MET HA H 1 4.000 0.02 . 1 . . . . . . . . 7021 1 251 . 1 1 38 38 MET HB2 H 1 1.640 0.02 . 2 . . . . . . . . 7021 1 252 . 1 1 38 38 MET HG2 H 1 2.367 0.02 . 2 . . . . . . . . 7021 1 253 . 1 1 38 38 MET C C 13 178.173 0.05 . 1 . . . . . . . . 7021 1 254 . 1 1 38 38 MET CA C 13 58.700 0.05 . 1 . . . . . . . . 7021 1 255 . 1 1 38 38 MET CB C 13 31.900 0.05 . 1 . . . . . . . . 7021 1 256 . 1 1 38 38 MET N N 15 118.300 0.05 . 1 . . . . . . . . 7021 1 257 . 1 1 39 39 ALA H H 1 8.248 0.02 . 1 . . . . . . . . 7021 1 258 . 1 1 39 39 ALA HA H 1 3.790 0.02 . 1 . . . . . . . . 7021 1 259 . 1 1 39 39 ALA HB1 H 1 1.300 0.02 . 1 . . . . . . . . 7021 1 260 . 1 1 39 39 ALA HB2 H 1 1.300 0.02 . 1 . . . . . . . . 7021 1 261 . 1 1 39 39 ALA HB3 H 1 1.300 0.02 . 1 . . . . . . . . 7021 1 262 . 1 1 39 39 ALA C C 13 179.133 0.05 . 1 . . . . . . . . 7021 1 263 . 1 1 39 39 ALA CA C 13 55.040 0.05 . 1 . . . . . . . . 7021 1 264 . 1 1 39 39 ALA CB C 13 17.750 0.05 . 1 . . . . . . . . 7021 1 265 . 1 1 39 39 ALA N N 15 121.715 0.05 . 1 . . . . . . . . 7021 1 266 . 1 1 40 40 LYS H H 1 7.578 0.02 . 1 . . . . . . . . 7021 1 267 . 1 1 40 40 LYS HA H 1 3.982 0.02 . 1 . . . . . . . . 7021 1 268 . 1 1 40 40 LYS HB2 H 1 1.905 0.02 . 2 . . . . . . . . 7021 1 269 . 1 1 40 40 LYS HE2 H 1 0.750 0.02 . 2 . . . . . . . . 7021 1 270 . 1 1 40 40 LYS C C 13 177.952 0.05 . 1 . . . . . . . . 7021 1 271 . 1 1 40 40 LYS CA C 13 58.768 0.05 . 1 . . . . . . . . 7021 1 272 . 1 1 40 40 LYS CB C 13 31.611 0.05 . 1 . . . . . . . . 7021 1 273 . 1 1 40 40 LYS N N 15 119.300 0.05 . 1 . . . . . . . . 7021 1 274 . 1 1 41 41 GLY H H 1 7.685 0.02 . 1 . . . . . . . . 7021 1 275 . 1 1 41 41 GLY C C 13 175.156 0.05 . 1 . . . . . . . . 7021 1 276 . 1 1 41 41 GLY CA C 13 46.815 0.05 . 1 . . . . . . . . 7021 1 277 . 1 1 41 41 GLY N N 15 108.154 0.05 . 1 . . . . . . . . 7021 1 278 . 1 1 42 42 MET H H 1 7.869 0.02 . 1 . . . . . . . . 7021 1 279 . 1 1 42 42 MET HB2 H 1 1.958 0.02 . 2 . . . . . . . . 7021 1 280 . 1 1 42 42 MET C C 13 179.612 0.05 . 1 . . . . . . . . 7021 1 281 . 1 1 42 42 MET CA C 13 59.437 0.05 . 1 . . . . . . . . 7021 1 282 . 1 1 42 42 MET CB C 13 33.619 0.05 . 1 . . . . . . . . 7021 1 283 . 1 1 42 42 MET N N 15 120.970 0.05 . 1 . . . . . . . . 7021 1 284 . 1 1 43 43 GLN H H 1 8.655 0.02 . 1 . . . . . . . . 7021 1 285 . 1 1 43 43 GLN HA H 1 3.940 0.02 . 1 . . . . . . . . 7021 1 286 . 1 1 43 43 GLN HB2 H 1 2.031 0.02 . 2 . . . . . . . . 7021 1 287 . 1 1 43 43 GLN HB3 H 1 2.074 0.02 . 2 . . . . . . . . 7021 1 288 . 1 1 43 43 GLN HG2 H 1 2.353 0.02 . 2 . . . . . . . . 7021 1 289 . 1 1 43 43 GLN C C 13 179.370 0.05 . 1 . . . . . . . . 7021 1 290 . 1 1 43 43 GLN CA C 13 58.550 0.05 . 1 . . . . . . . . 7021 1 291 . 1 1 43 43 GLN CB C 13 28.400 0.05 . 1 . . . . . . . . 7021 1 292 . 1 1 43 43 GLN N N 15 119.980 0.05 . 1 . . . . . . . . 7021 1 293 . 1 1 44 44 ASP H H 1 8.760 0.02 . 1 . . . . . . . . 7021 1 294 . 1 1 44 44 ASP HA H 1 4.175 0.02 . 1 . . . . . . . . 7021 1 295 . 1 1 44 44 ASP HB2 H 1 2.388 0.02 . 1 . . . . . . . . 7021 1 296 . 1 1 44 44 ASP HB3 H 1 2.388 0.02 . 1 . . . . . . . . 7021 1 297 . 1 1 44 44 ASP C C 13 181.106 0.05 . 1 . . . . . . . . 7021 1 298 . 1 1 44 44 ASP CA C 13 57.200 0.05 . 1 . . . . . . . . 7021 1 299 . 1 1 44 44 ASP CB C 13 39.200 0.05 . 1 . . . . . . . . 7021 1 300 . 1 1 44 44 ASP N N 15 122.320 0.05 . 1 . . . . . . . . 7021 1 301 . 1 1 45 45 ALA H H 1 7.970 0.02 . 1 . . . . . . . . 7021 1 302 . 1 1 45 45 ALA HA H 1 4.079 0.02 . 1 . . . . . . . . 7021 1 303 . 1 1 45 45 ALA HB1 H 1 1.410 0.02 . 1 . . . . . . . . 7021 1 304 . 1 1 45 45 ALA HB2 H 1 1.410 0.02 . 1 . . . . . . . . 7021 1 305 . 1 1 45 45 ALA HB3 H 1 1.410 0.02 . 1 . . . . . . . . 7021 1 306 . 1 1 45 45 ALA CA C 13 54.800 0.05 . 1 . . . . . . . . 7021 1 307 . 1 1 45 45 ALA CB C 13 19.800 0.05 . 1 . . . . . . . . 7021 1 308 . 1 1 45 45 ALA N N 15 120.700 0.05 . 1 . . . . . . . . 7021 1 309 . 1 1 46 46 MET H H 1 8.580 0.02 . 1 . . . . . . . . 7021 1 310 . 1 1 46 46 MET C C 13 177.297 0.05 . 1 . . . . . . . . 7021 1 311 . 1 1 46 46 MET CA C 13 59.380 0.05 . 1 . . . . . . . . 7021 1 312 . 1 1 46 46 MET CB C 13 32.750 0.05 . 1 . . . . . . . . 7021 1 313 . 1 1 46 46 MET N N 15 116.630 0.05 . 1 . . . . . . . . 7021 1 314 . 1 1 47 47 SER H H 1 8.037 0.02 . 1 . . . . . . . . 7021 1 315 . 1 1 47 47 SER HA H 1 4.416 0.02 . 1 . . . . . . . . 7021 1 316 . 1 1 47 47 SER HB2 H 1 3.964 0.02 . 1 . . . . . . . . 7021 1 317 . 1 1 47 47 SER HB3 H 1 3.964 0.02 . 1 . . . . . . . . 7021 1 318 . 1 1 47 47 SER C C 13 175.544 0.05 . 1 . . . . . . . . 7021 1 319 . 1 1 47 47 SER CA C 13 59.031 0.05 . 1 . . . . . . . . 7021 1 320 . 1 1 47 47 SER CB C 13 64.402 0.05 . 1 . . . . . . . . 7021 1 321 . 1 1 47 47 SER N N 15 112.572 0.05 . 1 . . . . . . . . 7021 1 322 . 1 1 48 48 GLY H H 1 7.552 0.02 . 1 . . . . . . . . 7021 1 323 . 1 1 48 48 GLY HA2 H 1 3.973 0.02 . 1 . . . . . . . . 7021 1 324 . 1 1 48 48 GLY HA3 H 1 3.973 0.02 . 1 . . . . . . . . 7021 1 325 . 1 1 48 48 GLY C C 13 174.125 0.05 . 1 . . . . . . . . 7021 1 326 . 1 1 48 48 GLY CA C 13 46.000 0.05 . 1 . . . . . . . . 7021 1 327 . 1 1 48 48 GLY N N 15 110.882 0.05 . 1 . . . . . . . . 7021 1 328 . 1 1 49 49 ALA H H 1 7.825 0.02 . 1 . . . . . . . . 7021 1 329 . 1 1 49 49 ALA HA H 1 4.151 0.02 . 1 . . . . . . . . 7021 1 330 . 1 1 49 49 ALA HB1 H 1 1.188 0.02 . 1 . . . . . . . . 7021 1 331 . 1 1 49 49 ALA HB2 H 1 1.188 0.02 . 1 . . . . . . . . 7021 1 332 . 1 1 49 49 ALA HB3 H 1 1.188 0.02 . 1 . . . . . . . . 7021 1 333 . 1 1 49 49 ALA C C 13 176.633 0.05 . 1 . . . . . . . . 7021 1 334 . 1 1 49 49 ALA CA C 13 51.380 0.05 . 1 . . . . . . . . 7021 1 335 . 1 1 49 49 ALA CB C 13 19.710 0.05 . 1 . . . . . . . . 7021 1 336 . 1 1 49 49 ALA N N 15 123.440 0.05 . 1 . . . . . . . . 7021 1 337 . 1 1 50 50 GLN H H 1 8.086 0.02 . 1 . . . . . . . . 7021 1 338 . 1 1 50 50 GLN HA H 1 4.845 0.02 . 1 . . . . . . . . 7021 1 339 . 1 1 50 50 GLN HB2 H 1 1.741 0.02 . 2 . . . . . . . . 7021 1 340 . 1 1 50 50 GLN HB3 H 1 1.999 0.02 . 2 . . . . . . . . 7021 1 341 . 1 1 50 50 GLN HG2 H 1 2.244 0.02 . 1 . . . . . . . . 7021 1 342 . 1 1 50 50 GLN HG3 H 1 2.244 0.02 . 1 . . . . . . . . 7021 1 343 . 1 1 50 50 GLN C C 13 176.059 0.05 . 1 . . . . . . . . 7021 1 344 . 1 1 50 50 GLN CA C 13 56.140 0.05 . 1 . . . . . . . . 7021 1 345 . 1 1 50 50 GLN CB C 13 28.240 0.05 . 1 . . . . . . . . 7021 1 346 . 1 1 50 50 GLN CG C 13 34.084 0.05 . 1 . . . . . . . . 7021 1 347 . 1 1 50 50 GLN N N 15 119.124 0.05 . 1 . . . . . . . . 7021 1 348 . 1 1 51 51 LEU H H 1 8.466 0.02 . 1 . . . . . . . . 7021 1 349 . 1 1 51 51 LEU HA H 1 4.408 0.02 . 1 . . . . . . . . 7021 1 350 . 1 1 51 51 LEU C C 13 178.568 0.05 . 1 . . . . . . . . 7021 1 351 . 1 1 51 51 LEU CA C 13 54.650 0.05 . 1 . . . . . . . . 7021 1 352 . 1 1 51 51 LEU CB C 13 42.280 0.05 . 1 . . . . . . . . 7021 1 353 . 1 1 51 51 LEU N N 15 126.524 0.05 . 1 . . . . . . . . 7021 1 354 . 1 1 52 52 ALA H H 1 8.498 0.02 . 1 . . . . . . . . 7021 1 355 . 1 1 52 52 ALA HA H 1 3.855 0.02 . 1 . . . . . . . . 7021 1 356 . 1 1 52 52 ALA HB1 H 1 0.751 0.02 . 1 . . . . . . . . 7021 1 357 . 1 1 52 52 ALA HB2 H 1 0.751 0.02 . 1 . . . . . . . . 7021 1 358 . 1 1 52 52 ALA HB3 H 1 0.751 0.02 . 1 . . . . . . . . 7021 1 359 . 1 1 52 52 ALA C C 13 176.164 0.05 . 1 . . . . . . . . 7021 1 360 . 1 1 52 52 ALA CA C 13 53.273 0.05 . 1 . . . . . . . . 7021 1 361 . 1 1 52 52 ALA CB C 13 19.239 0.05 . 1 . . . . . . . . 7021 1 362 . 1 1 52 52 ALA N N 15 121.241 0.05 . 1 . . . . . . . . 7021 1 363 . 1 1 53 53 LEU H H 1 6.600 0.02 . 1 . . . . . . . . 7021 1 364 . 1 1 53 53 LEU HA H 1 4.626 0.02 . 1 . . . . . . . . 7021 1 365 . 1 1 53 53 LEU HB2 H 1 1.398 0.02 . 1 . . . . . . . . 7021 1 366 . 1 1 53 53 LEU HB3 H 1 1.398 0.02 . 1 . . . . . . . . 7021 1 367 . 1 1 53 53 LEU HD11 H 1 1.090 0.02 . 2 . . . . . . . . 7021 1 368 . 1 1 53 53 LEU HD12 H 1 1.090 0.02 . 2 . . . . . . . . 7021 1 369 . 1 1 53 53 LEU HD13 H 1 1.090 0.02 . 2 . . . . . . . . 7021 1 370 . 1 1 53 53 LEU HD21 H 1 0.644 0.02 . 2 . . . . . . . . 7021 1 371 . 1 1 53 53 LEU HD22 H 1 0.644 0.02 . 2 . . . . . . . . 7021 1 372 . 1 1 53 53 LEU HD23 H 1 0.644 0.02 . 2 . . . . . . . . 7021 1 373 . 1 1 53 53 LEU C C 13 175.950 0.05 . 1 . . . . . . . . 7021 1 374 . 1 1 53 53 LEU CA C 13 51.998 0.05 . 1 . . . . . . . . 7021 1 375 . 1 1 53 53 LEU CB C 13 45.413 0.05 . 1 . . . . . . . . 7021 1 376 . 1 1 53 53 LEU N N 15 113.681 0.05 . 1 . . . . . . . . 7021 1 377 . 1 1 54 54 THR H H 1 8.625 0.02 . 1 . . . . . . . . 7021 1 378 . 1 1 54 54 THR HA H 1 4.241 0.02 . 1 . . . . . . . . 7021 1 379 . 1 1 54 54 THR HB H 1 4.665 0.02 . 1 . . . . . . . . 7021 1 380 . 1 1 54 54 THR HG21 H 1 1.176 0.02 . 1 . . . . . . . . 7021 1 381 . 1 1 54 54 THR HG22 H 1 1.176 0.02 . 1 . . . . . . . . 7021 1 382 . 1 1 54 54 THR HG23 H 1 1.176 0.02 . 1 . . . . . . . . 7021 1 383 . 1 1 54 54 THR C C 13 175.283 0.05 . 1 . . . . . . . . 7021 1 384 . 1 1 54 54 THR CA C 13 60.816 0.05 . 1 . . . . . . . . 7021 1 385 . 1 1 54 54 THR CB C 13 70.861 0.05 . 1 . . . . . . . . 7021 1 386 . 1 1 54 54 THR N N 15 110.947 0.05 . 1 . . . . . . . . 7021 1 387 . 1 1 55 55 GLU H H 1 8.850 0.02 . 1 . . . . . . . . 7021 1 388 . 1 1 55 55 GLU HA H 1 3.875 0.02 . 1 . . . . . . . . 7021 1 389 . 1 1 55 55 GLU HB2 H 1 1.950 0.02 . 2 . . . . . . . . 7021 1 390 . 1 1 55 55 GLU HG2 H 1 2.134 0.02 . 2 . . . . . . . . 7021 1 391 . 1 1 55 55 GLU HG3 H 1 2.264 0.02 . 2 . . . . . . . . 7021 1 392 . 1 1 55 55 GLU C C 13 177.069 0.05 . 1 . . . . . . . . 7021 1 393 . 1 1 55 55 GLU CA C 13 59.920 0.05 . 1 . . . . . . . . 7021 1 394 . 1 1 55 55 GLU CB C 13 28.940 0.05 . 1 . . . . . . . . 7021 1 395 . 1 1 55 55 GLU CG C 13 36.000 0.05 . 1 . . . . . . . . 7021 1 396 . 1 1 55 55 GLU N N 15 121.310 0.05 . 1 . . . . . . . . 7021 1 397 . 1 1 56 56 GLN H H 1 8.460 0.02 . 1 . . . . . . . . 7021 1 398 . 1 1 56 56 GLN HA H 1 3.911 0.02 . 1 . . . . . . . . 7021 1 399 . 1 1 56 56 GLN HB2 H 1 2.030 0.02 . 2 . . . . . . . . 7021 1 400 . 1 1 56 56 GLN HB3 H 1 1.850 0.02 . 2 . . . . . . . . 7021 1 401 . 1 1 56 56 GLN HG2 H 1 2.320 0.02 . 2 . . . . . . . . 7021 1 402 . 1 1 56 56 GLN C C 13 177.800 0.05 . 1 . . . . . . . . 7021 1 403 . 1 1 56 56 GLN CA C 13 58.577 0.05 . 1 . . . . . . . . 7021 1 404 . 1 1 56 56 GLN CB C 13 28.264 0.05 . 1 . . . . . . . . 7021 1 405 . 1 1 56 56 GLN N N 15 118.550 0.05 . 1 . . . . . . . . 7021 1 406 . 1 1 57 57 GLN H H 1 7.770 0.02 . 1 . . . . . . . . 7021 1 407 . 1 1 57 57 GLN HA H 1 4.000 0.02 . 1 . . . . . . . . 7021 1 408 . 1 1 57 57 GLN HB2 H 1 1.930 0.02 . 2 . . . . . . . . 7021 1 409 . 1 1 57 57 GLN HB3 H 1 2.290 0.02 . 2 . . . . . . . . 7021 1 410 . 1 1 57 57 GLN CA C 13 58.800 0.05 . 1 . . . . . . . . 7021 1 411 . 1 1 57 57 GLN CB C 13 29.300 0.05 . 1 . . . . . . . . 7021 1 412 . 1 1 57 57 GLN N N 15 118.990 0.05 . 1 . . . . . . . . 7021 1 413 . 1 1 69 69 LEU HA H 1 3.620 0.02 . 1 . . . . . . . . 7021 1 414 . 1 1 69 69 LEU HB2 H 1 1.550 0.02 . 2 . . . . . . . . 7021 1 415 . 1 1 69 69 LEU HB3 H 1 1.610 0.02 . 2 . . . . . . . . 7021 1 416 . 1 1 69 69 LEU C C 13 177.146 0.05 . 1 . . . . . . . . 7021 1 417 . 1 1 69 69 LEU CA C 13 55.678 0.05 . 1 . . . . . . . . 7021 1 418 . 1 1 69 69 LEU CB C 13 41.849 0.05 . 1 . . . . . . . . 7021 1 419 . 1 1 69 69 LEU CG C 13 32.600 0.05 . 1 . . . . . . . . 7021 1 420 . 1 1 70 70 MET H H 1 8.000 0.02 . 1 . . . . . . . . 7021 1 421 . 1 1 70 70 MET HA H 1 4.323 0.02 . 1 . . . . . . . . 7021 1 422 . 1 1 70 70 MET HB2 H 1 1.874 0.02 . 2 . . . . . . . . 7021 1 423 . 1 1 70 70 MET HB3 H 1 2.022 0.02 . 2 . . . . . . . . 7021 1 424 . 1 1 70 70 MET HG2 H 1 2.505 0.02 . 2 . . . . . . . . 7021 1 425 . 1 1 70 70 MET HE1 H 1 0.793 0.02 . 1 . . . . . . . . 7021 1 426 . 1 1 70 70 MET HE2 H 1 0.793 0.02 . 1 . . . . . . . . 7021 1 427 . 1 1 70 70 MET HE3 H 1 0.793 0.02 . 1 . . . . . . . . 7021 1 428 . 1 1 70 70 MET C C 13 174.880 0.05 . 1 . . . . . . . . 7021 1 429 . 1 1 70 70 MET CA C 13 55.277 0.05 . 1 . . . . . . . . 7021 1 430 . 1 1 70 70 MET CB C 13 32.429 0.05 . 1 . . . . . . . . 7021 1 431 . 1 1 70 70 MET N N 15 118.921 0.05 . 1 . . . . . . . . 7021 1 432 . 1 1 71 71 ALA H H 1 7.590 0.02 . 1 . . . . . . . . 7021 1 433 . 1 1 71 71 ALA HA H 1 4.348 0.02 . 1 . . . . . . . . 7021 1 434 . 1 1 71 71 ALA HB1 H 1 1.220 0.02 . 1 . . . . . . . . 7021 1 435 . 1 1 71 71 ALA HB2 H 1 1.220 0.02 . 1 . . . . . . . . 7021 1 436 . 1 1 71 71 ALA HB3 H 1 1.220 0.02 . 1 . . . . . . . . 7021 1 437 . 1 1 71 71 ALA CA C 13 53.800 0.05 . 1 . . . . . . . . 7021 1 438 . 1 1 71 71 ALA CB C 13 19.850 0.05 . 1 . . . . . . . . 7021 1 439 . 1 1 71 71 ALA N N 15 130.040 0.05 . 1 . . . . . . . . 7021 1 440 . 1 1 72 72 LYS N N 15 111.000 0.05 . 1 . . . . . . . . 7021 1 441 . 1 1 73 73 ARG C C 13 176.322 0.05 . 1 . . . . . . . . 7021 1 442 . 1 1 73 73 ARG CA C 13 56.100 0.05 . 1 . . . . . . . . 7021 1 443 . 1 1 73 73 ARG CB C 13 30.400 0.05 . 1 . . . . . . . . 7021 1 444 . 1 1 74 74 THR H H 1 8.236 0.02 . 1 . . . . . . . . 7021 1 445 . 1 1 74 74 THR HA H 1 4.230 0.02 . 1 . . . . . . . . 7021 1 446 . 1 1 74 74 THR C C 13 173.601 0.05 . 1 . . . . . . . . 7021 1 447 . 1 1 74 74 THR CA C 13 62.160 0.05 . 1 . . . . . . . . 7021 1 448 . 1 1 74 74 THR CB C 13 69.960 0.05 . 1 . . . . . . . . 7021 1 449 . 1 1 74 74 THR N N 15 116.970 0.05 . 1 . . . . . . . . 7021 1 450 . 1 1 75 75 ALA H H 1 8.434 0.02 . 1 . . . . . . . . 7021 1 451 . 1 1 75 75 ALA C C 13 178.166 0.05 . 1 . . . . . . . . 7021 1 452 . 1 1 75 75 ALA CA C 13 53.463 0.05 . 1 . . . . . . . . 7021 1 453 . 1 1 75 75 ALA CB C 13 18.853 0.05 . 1 . . . . . . . . 7021 1 454 . 1 1 75 75 ALA N N 15 125.800 0.05 . 1 . . . . . . . . 7021 1 455 . 1 1 76 76 GLU H H 1 8.383 0.02 . 1 . . . . . . . . 7021 1 456 . 1 1 76 76 GLU C C 13 177.021 0.05 . 1 . . . . . . . . 7021 1 457 . 1 1 76 76 GLU CA C 13 57.318 0.05 . 1 . . . . . . . . 7021 1 458 . 1 1 76 76 GLU CB C 13 29.881 0.05 . 1 . . . . . . . . 7021 1 459 . 1 1 76 76 GLU N N 15 120.494 0.05 . 1 . . . . . . . . 7021 1 460 . 1 1 77 77 PHE H H 1 8.170 0.02 . 1 . . . . . . . . 7021 1 461 . 1 1 77 77 PHE C C 13 175.857 0.05 . 1 . . . . . . . . 7021 1 462 . 1 1 77 77 PHE CA C 13 59.111 0.05 . 1 . . . . . . . . 7021 1 463 . 1 1 77 77 PHE CB C 13 39.206 0.05 . 1 . . . . . . . . 7021 1 464 . 1 1 77 77 PHE N N 15 121.950 0.05 . 1 . . . . . . . . 7021 1 465 . 1 1 78 78 ASN H H 1 8.188 0.02 . 1 . . . . . . . . 7021 1 466 . 1 1 78 78 ASN HA H 1 4.944 0.02 . 1 . . . . . . . . 7021 1 467 . 1 1 78 78 ASN HB2 H 1 2.636 0.02 . 2 . . . . . . . . 7021 1 468 . 1 1 78 78 ASN HB3 H 1 2.737 0.02 . 2 . . . . . . . . 7021 1 469 . 1 1 78 78 ASN CA C 13 53.911 0.05 . 1 . . . . . . . . 7021 1 470 . 1 1 78 78 ASN CB C 13 38.399 0.05 . 1 . . . . . . . . 7021 1 471 . 1 1 78 78 ASN N N 15 120.494 0.05 . 1 . . . . . . . . 7021 1 472 . 1 1 80 80 LYS C C 13 177.376 0.05 . 1 . . . . . . . . 7021 1 473 . 1 1 81 81 ALA H H 1 8.795 0.02 . 1 . . . . . . . . 7021 1 474 . 1 1 81 81 ALA C C 13 179.185 0.05 . 1 . . . . . . . . 7021 1 475 . 1 1 81 81 ALA CA C 13 54.900 0.05 . 1 . . . . . . . . 7021 1 476 . 1 1 81 81 ALA CB C 13 18.500 0.05 . 1 . . . . . . . . 7021 1 477 . 1 1 81 81 ALA N N 15 121.700 0.05 . 1 . . . . . . . . 7021 1 478 . 1 1 82 82 ASP H H 1 7.650 0.02 . 1 . . . . . . . . 7021 1 479 . 1 1 82 82 ASP C C 13 177.640 0.05 . 1 . . . . . . . . 7021 1 480 . 1 1 82 82 ASP CA C 13 55.900 0.05 . 1 . . . . . . . . 7021 1 481 . 1 1 82 82 ASP CB C 13 40.700 0.05 . 1 . . . . . . . . 7021 1 482 . 1 1 82 82 ASP N N 15 117.700 0.05 . 1 . . . . . . . . 7021 1 483 . 1 1 83 83 GLU H H 1 7.920 0.02 . 1 . . . . . . . . 7021 1 484 . 1 1 83 83 GLU C C 13 178.660 0.05 . 1 . . . . . . . . 7021 1 485 . 1 1 83 83 GLU CA C 13 58.800 0.05 . 1 . . . . . . . . 7021 1 486 . 1 1 83 83 GLU CB C 13 29.700 0.05 . 1 . . . . . . . . 7021 1 487 . 1 1 83 83 GLU N N 15 121.700 0.05 . 1 . . . . . . . . 7021 1 488 . 1 1 84 84 ASN H H 1 8.570 0.02 . 1 . . . . . . . . 7021 1 489 . 1 1 84 84 ASN C C 13 178.510 0.05 . 1 . . . . . . . . 7021 1 490 . 1 1 84 84 ASN CA C 13 55.400 0.05 . 1 . . . . . . . . 7021 1 491 . 1 1 84 84 ASN CB C 13 37.000 0.05 . 1 . . . . . . . . 7021 1 492 . 1 1 84 84 ASN N N 15 118.800 0.05 . 1 . . . . . . . . 7021 1 493 . 1 1 85 85 LYS H H 1 7.650 0.02 . 1 . . . . . . . . 7021 1 494 . 1 1 85 85 LYS CA C 13 59.300 0.05 . 1 . . . . . . . . 7021 1 495 . 1 1 85 85 LYS CB C 13 32.700 0.05 . 1 . . . . . . . . 7021 1 496 . 1 1 85 85 LYS N N 15 122.300 0.05 . 1 . . . . . . . . 7021 1 497 . 1 1 86 86 VAL H H 1 7.784 0.02 . 1 . . . . . . . . 7021 1 498 . 1 1 86 86 VAL HA H 1 3.763 0.02 . 1 . . . . . . . . 7021 1 499 . 1 1 86 86 VAL HB H 1 2.068 0.02 . 1 . . . . . . . . 7021 1 500 . 1 1 86 86 VAL HG11 H 1 0.911 0.02 . 2 . . . . . . . . 7021 1 501 . 1 1 86 86 VAL HG12 H 1 0.911 0.02 . 2 . . . . . . . . 7021 1 502 . 1 1 86 86 VAL HG13 H 1 0.911 0.02 . 2 . . . . . . . . 7021 1 503 . 1 1 86 86 VAL HG21 H 1 1.011 0.02 . 2 . . . . . . . . 7021 1 504 . 1 1 86 86 VAL HG22 H 1 1.011 0.02 . 2 . . . . . . . . 7021 1 505 . 1 1 86 86 VAL HG23 H 1 1.011 0.02 . 2 . . . . . . . . 7021 1 506 . 1 1 86 86 VAL C C 13 179.539 0.05 . 1 . . . . . . . . 7021 1 507 . 1 1 86 86 VAL CA C 13 66.025 0.05 . 1 . . . . . . . . 7021 1 508 . 1 1 86 86 VAL CB C 13 31.800 0.05 . 1 . . . . . . . . 7021 1 509 . 1 1 86 86 VAL CG1 C 13 20.959 0.05 . 1 . . . . . . . . 7021 1 510 . 1 1 86 86 VAL CG2 C 13 22.053 0.05 . 1 . . . . . . . . 7021 1 511 . 1 1 86 86 VAL N N 15 119.275 0.05 . 1 . . . . . . . . 7021 1 512 . 1 1 87 87 LYS H H 1 8.449 0.02 . 1 . . . . . . . . 7021 1 513 . 1 1 87 87 LYS HA H 1 4.098 0.02 . 1 . . . . . . . . 7021 1 514 . 1 1 87 87 LYS HB2 H 1 1.784 0.02 . 2 . . . . . . . . 7021 1 515 . 1 1 87 87 LYS HB3 H 1 1.886 0.02 . 2 . . . . . . . . 7021 1 516 . 1 1 87 87 LYS HG2 H 1 1.390 0.02 . 2 . . . . . . . . 7021 1 517 . 1 1 87 87 LYS HG3 H 1 1.582 0.02 . 2 . . . . . . . . 7021 1 518 . 1 1 87 87 LYS HE2 H 1 2.890 0.02 . 1 . . . . . . . . 7021 1 519 . 1 1 87 87 LYS HE3 H 1 2.890 0.02 . 1 . . . . . . . . 7021 1 520 . 1 1 87 87 LYS C C 13 180.298 0.05 . 1 . . . . . . . . 7021 1 521 . 1 1 87 87 LYS CA C 13 59.541 0.05 . 1 . . . . . . . . 7021 1 522 . 1 1 87 87 LYS CB C 13 32.330 0.05 . 1 . . . . . . . . 7021 1 523 . 1 1 87 87 LYS CG C 13 25.060 0.05 . 1 . . . . . . . . 7021 1 524 . 1 1 87 87 LYS CE C 13 41.741 0.05 . 1 . . . . . . . . 7021 1 525 . 1 1 87 87 LYS N N 15 121.103 0.05 . 1 . . . . . . . . 7021 1 526 . 1 1 88 88 GLY H H 1 8.318 0.02 . 1 . . . . . . . . 7021 1 527 . 1 1 88 88 GLY HA2 H 1 3.844 0.02 . 2 . . . . . . . . 7021 1 528 . 1 1 88 88 GLY HA3 H 1 4.210 0.02 . 2 . . . . . . . . 7021 1 529 . 1 1 88 88 GLY C C 13 175.746 0.05 . 1 . . . . . . . . 7021 1 530 . 1 1 88 88 GLY CA C 13 47.949 0.05 . 1 . . . . . . . . 7021 1 531 . 1 1 88 88 GLY N N 15 109.729 0.05 . 1 . . . . . . . . 7021 1 532 . 1 1 89 89 GLU H H 1 8.150 0.02 . 1 . . . . . . . . 7021 1 533 . 1 1 89 89 GLU HA H 1 4.047 0.02 . 1 . . . . . . . . 7021 1 534 . 1 1 89 89 GLU HB2 H 1 1.967 0.02 . 2 . . . . . . . . 7021 1 535 . 1 1 89 89 GLU HB3 H 1 2.078 0.02 . 2 . . . . . . . . 7021 1 536 . 1 1 89 89 GLU C C 13 179.852 0.05 . 1 . . . . . . . . 7021 1 537 . 1 1 89 89 GLU CA C 13 59.345 0.05 . 1 . . . . . . . . 7021 1 538 . 1 1 89 89 GLU CB C 13 28.794 0.05 . 1 . . . . . . . . 7021 1 539 . 1 1 89 89 GLU N N 15 121.306 0.05 . 1 . . . . . . . . 7021 1 540 . 1 1 90 90 ALA H H 1 8.252 0.02 . 1 . . . . . . . . 7021 1 541 . 1 1 90 90 ALA HA H 1 4.078 0.02 . 1 . . . . . . . . 7021 1 542 . 1 1 90 90 ALA HB1 H 1 1.449 0.02 . 1 . . . . . . . . 7021 1 543 . 1 1 90 90 ALA HB2 H 1 1.449 0.02 . 1 . . . . . . . . 7021 1 544 . 1 1 90 90 ALA HB3 H 1 1.449 0.02 . 1 . . . . . . . . 7021 1 545 . 1 1 90 90 ALA C C 13 179.140 0.05 . 1 . . . . . . . . 7021 1 546 . 1 1 90 90 ALA CA C 13 55.223 0.05 . 1 . . . . . . . . 7021 1 547 . 1 1 90 90 ALA CB C 13 17.646 0.05 . 1 . . . . . . . . 7021 1 548 . 1 1 90 90 ALA N N 15 123.541 0.05 . 1 . . . . . . . . 7021 1 549 . 1 1 91 91 PHE H H 1 8.049 0.02 . 1 . . . . . . . . 7021 1 550 . 1 1 91 91 PHE HA H 1 4.103 0.02 . 1 . . . . . . . . 7021 1 551 . 1 1 91 91 PHE HB2 H 1 3.239 0.02 . 2 . . . . . . . . 7021 1 552 . 1 1 91 91 PHE HB3 H 1 3.296 0.02 . 2 . . . . . . . . 7021 1 553 . 1 1 91 91 PHE CA C 13 61.604 0.05 . 1 . . . . . . . . 7021 1 554 . 1 1 91 91 PHE CB C 13 39.206 0.05 . 1 . . . . . . . . 7021 1 555 . 1 1 91 91 PHE N N 15 119.987 0.05 . 1 . . . . . . . . 7021 1 556 . 1 1 92 92 LEU H H 1 8.315 0.02 . 1 . . . . . . . . 7021 1 557 . 1 1 92 92 LEU HA H 1 3.641 0.02 . 1 . . . . . . . . 7021 1 558 . 1 1 92 92 LEU HB2 H 1 1.429 0.02 . 2 . . . . . . . . 7021 1 559 . 1 1 92 92 LEU HB3 H 1 1.926 0.02 . 2 . . . . . . . . 7021 1 560 . 1 1 92 92 LEU HG H 1 2.004 0.02 . 1 . . . . . . . . 7021 1 561 . 1 1 92 92 LEU HD11 H 1 0.896 0.02 . 2 . . . . . . . . 7021 1 562 . 1 1 92 92 LEU HD12 H 1 0.896 0.02 . 2 . . . . . . . . 7021 1 563 . 1 1 92 92 LEU HD13 H 1 0.896 0.02 . 2 . . . . . . . . 7021 1 564 . 1 1 92 92 LEU HD21 H 1 0.697 0.02 . 2 . . . . . . . . 7021 1 565 . 1 1 92 92 LEU HD22 H 1 0.697 0.02 . 2 . . . . . . . . 7021 1 566 . 1 1 92 92 LEU HD23 H 1 0.697 0.02 . 2 . . . . . . . . 7021 1 567 . 1 1 92 92 LEU C C 13 179.681 0.05 . 1 . . . . . . . . 7021 1 568 . 1 1 92 92 LEU CA C 13 57.892 0.05 . 1 . . . . . . . . 7021 1 569 . 1 1 92 92 LEU CB C 13 40.629 0.05 . 1 . . . . . . . . 7021 1 570 . 1 1 92 92 LEU CG C 13 26.975 0.05 . 1 . . . . . . . . 7021 1 571 . 1 1 92 92 LEU CD1 C 13 26.154 0.05 . 1 . . . . . . . . 7021 1 572 . 1 1 92 92 LEU CD2 C 13 21.232 0.05 . 1 . . . . . . . . 7021 1 573 . 1 1 92 92 LEU N N 15 121.300 0.05 . 1 . . . . . . . . 7021 1 574 . 1 1 93 93 THR H H 1 8.222 0.02 . 1 . . . . . . . . 7021 1 575 . 1 1 93 93 THR HA H 1 3.682 0.02 . 1 . . . . . . . . 7021 1 576 . 1 1 93 93 THR HB H 1 4.169 0.02 . 1 . . . . . . . . 7021 1 577 . 1 1 93 93 THR HG21 H 1 1.083 0.02 . 1 . . . . . . . . 7021 1 578 . 1 1 93 93 THR HG22 H 1 1.083 0.02 . 1 . . . . . . . . 7021 1 579 . 1 1 93 93 THR HG23 H 1 1.083 0.02 . 1 . . . . . . . . 7021 1 580 . 1 1 93 93 THR C C 13 175.527 0.05 . 1 . . . . . . . . 7021 1 581 . 1 1 93 93 THR CA C 13 66.807 0.05 . 1 . . . . . . . . 7021 1 582 . 1 1 93 93 THR CB C 13 68.440 0.05 . 1 . . . . . . . . 7021 1 583 . 1 1 93 93 THR CG2 C 13 21.506 0.05 . 1 . . . . . . . . 7021 1 584 . 1 1 93 93 THR N N 15 117.823 0.05 . 1 . . . . . . . . 7021 1 585 . 1 1 94 94 GLU H H 1 7.445 0.02 . 1 . . . . . . . . 7021 1 586 . 1 1 94 94 GLU HA H 1 3.936 0.02 . 1 . . . . . . . . 7021 1 587 . 1 1 94 94 GLU HB2 H 1 1.814 0.02 . 1 . . . . . . . . 7021 1 588 . 1 1 94 94 GLU HB3 H 1 1.814 0.02 . 1 . . . . . . . . 7021 1 589 . 1 1 94 94 GLU HG2 H 1 2.100 0.02 . 1 . . . . . . . . 7021 1 590 . 1 1 94 94 GLU HG3 H 1 2.100 0.02 . 1 . . . . . . . . 7021 1 591 . 1 1 94 94 GLU C C 13 179.192 0.05 . 1 . . . . . . . . 7021 1 592 . 1 1 94 94 GLU CA C 13 58.143 0.05 . 1 . . . . . . . . 7021 1 593 . 1 1 94 94 GLU CB C 13 29.036 0.05 . 1 . . . . . . . . 7021 1 594 . 1 1 94 94 GLU CG C 13 35.700 0.05 . 1 . . . . . . . . 7021 1 595 . 1 1 94 94 GLU N N 15 120.900 0.05 . 1 . . . . . . . . 7021 1 596 . 1 1 95 95 ASN H H 1 8.220 0.02 . 1 . . . . . . . . 7021 1 597 . 1 1 95 95 ASN HA H 1 3.753 0.02 . 1 . . . . . . . . 7021 1 598 . 1 1 95 95 ASN HB2 H 1 1.419 0.02 . 2 . . . . . . . . 7021 1 599 . 1 1 95 95 ASN HB3 H 1 2.484 0.02 . 2 . . . . . . . . 7021 1 600 . 1 1 95 95 ASN C C 13 176.171 0.05 . 1 . . . . . . . . 7021 1 601 . 1 1 95 95 ASN CA C 13 55.770 0.05 . 1 . . . . . . . . 7021 1 602 . 1 1 95 95 ASN CB C 13 37.770 0.05 . 1 . . . . . . . . 7021 1 603 . 1 1 95 95 ASN N N 15 118.960 0.05 . 1 . . . . . . . . 7021 1 604 . 1 1 96 96 LYS H H 1 6.920 0.02 . 1 . . . . . . . . 7021 1 605 . 1 1 96 96 LYS HA H 1 3.520 0.02 . 1 . . . . . . . . 7021 1 606 . 1 1 96 96 LYS HB2 H 1 1.561 0.02 . 2 . . . . . . . . 7021 1 607 . 1 1 96 96 LYS HB3 H 1 1.662 0.02 . 2 . . . . . . . . 7021 1 608 . 1 1 96 96 LYS HG2 H 1 1.240 0.02 . 2 . . . . . . . . 7021 1 609 . 1 1 96 96 LYS HG3 H 1 1.326 0.02 . 2 . . . . . . . . 7021 1 610 . 1 1 96 96 LYS HD2 H 1 1.512 0.02 . 1 . . . . . . . . 7021 1 611 . 1 1 96 96 LYS HD3 H 1 1.512 0.02 . 1 . . . . . . . . 7021 1 612 . 1 1 96 96 LYS HE2 H 1 2.829 0.02 . 1 . . . . . . . . 7021 1 613 . 1 1 96 96 LYS HE3 H 1 2.829 0.02 . 1 . . . . . . . . 7021 1 614 . 1 1 96 96 LYS C C 13 175.725 0.05 . 1 . . . . . . . . 7021 1 615 . 1 1 96 96 LYS CA C 13 58.160 0.05 . 1 . . . . . . . . 7021 1 616 . 1 1 96 96 LYS CB C 13 31.830 0.05 . 1 . . . . . . . . 7021 1 617 . 1 1 96 96 LYS CG C 13 23.420 0.05 . 1 . . . . . . . . 7021 1 618 . 1 1 96 96 LYS CD C 13 29.162 0.05 . 1 . . . . . . . . 7021 1 619 . 1 1 96 96 LYS CE C 13 41.741 0.05 . 1 . . . . . . . . 7021 1 620 . 1 1 96 96 LYS N N 15 112.210 0.05 . 1 . . . . . . . . 7021 1 621 . 1 1 97 97 ASN H H 1 6.990 0.02 . 1 . . . . . . . . 7021 1 622 . 1 1 97 97 ASN HA H 1 4.717 0.02 . 1 . . . . . . . . 7021 1 623 . 1 1 97 97 ASN HB2 H 1 2.505 0.02 . 2 . . . . . . . . 7021 1 624 . 1 1 97 97 ASN HB3 H 1 2.840 0.02 . 2 . . . . . . . . 7021 1 625 . 1 1 97 97 ASN C C 13 175.643 0.05 . 1 . . . . . . . . 7021 1 626 . 1 1 97 97 ASN CA C 13 52.550 0.05 . 1 . . . . . . . . 7021 1 627 . 1 1 97 97 ASN CB C 13 39.150 0.05 . 1 . . . . . . . . 7021 1 628 . 1 1 97 97 ASN N N 15 113.970 0.05 . 1 . . . . . . . . 7021 1 629 . 1 1 98 98 LYS H H 1 7.410 0.02 . 1 . . . . . . . . 7021 1 630 . 1 1 98 98 LYS CA C 13 54.650 0.05 . 1 . . . . . . . . 7021 1 631 . 1 1 98 98 LYS CB C 13 30.350 0.05 . 1 . . . . . . . . 7021 1 632 . 1 1 98 98 LYS N N 15 122.430 0.05 . 1 . . . . . . . . 7021 1 633 . 1 1 99 99 PRO HA H 1 4.149 0.02 . 1 . . . . . . . . 7021 1 634 . 1 1 99 99 PRO HB2 H 1 1.723 0.02 . 2 . . . . . . . . 7021 1 635 . 1 1 99 99 PRO HB3 H 1 2.149 0.02 . 2 . . . . . . . . 7021 1 636 . 1 1 99 99 PRO HG2 H 1 1.970 0.02 . 1 . . . . . . . . 7021 1 637 . 1 1 99 99 PRO HG3 H 1 1.970 0.02 . 1 . . . . . . . . 7021 1 638 . 1 1 99 99 PRO HD2 H 1 3.445 0.02 . 2 . . . . . . . . 7021 1 639 . 1 1 99 99 PRO HD3 H 1 3.717 0.02 . 2 . . . . . . . . 7021 1 640 . 1 1 99 99 PRO C C 13 178.176 0.05 . 1 . . . . . . . . 7021 1 641 . 1 1 99 99 PRO CA C 13 63.892 0.05 . 1 . . . . . . . . 7021 1 642 . 1 1 99 99 PRO CB C 13 31.478 0.05 . 1 . . . . . . . . 7021 1 643 . 1 1 99 99 PRO CG C 13 26.975 0.05 . 1 . . . . . . . . 7021 1 644 . 1 1 99 99 PRO CD C 13 49.944 0.05 . 1 . . . . . . . . 7021 1 645 . 1 1 100 100 GLY H H 1 8.680 0.02 . 1 . . . . . . . . 7021 1 646 . 1 1 100 100 GLY HA2 H 1 3.499 0.02 . 2 . . . . . . . . 7021 1 647 . 1 1 100 100 GLY HA3 H 1 3.956 0.02 . 2 . . . . . . . . 7021 1 648 . 1 1 100 100 GLY C C 13 173.297 0.05 . 1 . . . . . . . . 7021 1 649 . 1 1 100 100 GLY CA C 13 45.847 0.05 . 1 . . . . . . . . 7021 1 650 . 1 1 100 100 GLY N N 15 112.081 0.05 . 1 . . . . . . . . 7021 1 651 . 1 1 101 101 VAL H H 1 7.074 0.02 . 1 . . . . . . . . 7021 1 652 . 1 1 101 101 VAL HA H 1 3.956 0.02 . 1 . . . . . . . . 7021 1 653 . 1 1 101 101 VAL HB H 1 1.662 0.02 . 1 . . . . . . . . 7021 1 654 . 1 1 101 101 VAL HG11 H 1 0.353 0.02 . 2 . . . . . . . . 7021 1 655 . 1 1 101 101 VAL HG12 H 1 0.353 0.02 . 2 . . . . . . . . 7021 1 656 . 1 1 101 101 VAL HG13 H 1 0.353 0.02 . 2 . . . . . . . . 7021 1 657 . 1 1 101 101 VAL HG21 H 1 0.482 0.02 . 2 . . . . . . . . 7021 1 658 . 1 1 101 101 VAL HG22 H 1 0.482 0.02 . 2 . . . . . . . . 7021 1 659 . 1 1 101 101 VAL HG23 H 1 0.482 0.02 . 2 . . . . . . . . 7021 1 660 . 1 1 101 101 VAL C C 13 175.768 0.05 . 1 . . . . . . . . 7021 1 661 . 1 1 101 101 VAL CA C 13 63.606 0.05 . 1 . . . . . . . . 7021 1 662 . 1 1 101 101 VAL CB C 13 31.461 0.05 . 1 . . . . . . . . 7021 1 663 . 1 1 101 101 VAL CG1 C 13 21.506 0.05 . 1 . . . . . . . . 7021 1 664 . 1 1 101 101 VAL CG2 C 13 22.873 0.05 . 1 . . . . . . . . 7021 1 665 . 1 1 101 101 VAL N N 15 120.915 0.05 . 1 . . . . . . . . 7021 1 666 . 1 1 102 102 VAL H H 1 9.188 0.02 . 1 . . . . . . . . 7021 1 667 . 1 1 102 102 VAL HA H 1 3.730 0.02 . 1 . . . . . . . . 7021 1 668 . 1 1 102 102 VAL HB H 1 0.207 0.02 . 1 . . . . . . . . 7021 1 669 . 1 1 102 102 VAL HG11 H 1 0.356 0.02 . 2 . . . . . . . . 7021 1 670 . 1 1 102 102 VAL HG12 H 1 0.356 0.02 . 2 . . . . . . . . 7021 1 671 . 1 1 102 102 VAL HG13 H 1 0.356 0.02 . 2 . . . . . . . . 7021 1 672 . 1 1 102 102 VAL HG21 H 1 0.498 0.02 . 2 . . . . . . . . 7021 1 673 . 1 1 102 102 VAL HG22 H 1 0.498 0.02 . 2 . . . . . . . . 7021 1 674 . 1 1 102 102 VAL HG23 H 1 0.498 0.02 . 2 . . . . . . . . 7021 1 675 . 1 1 102 102 VAL C C 13 174.205 0.05 . 1 . . . . . . . . 7021 1 676 . 1 1 102 102 VAL CA C 13 61.374 0.05 . 1 . . . . . . . . 7021 1 677 . 1 1 102 102 VAL CB C 13 32.466 0.05 . 1 . . . . . . . . 7021 1 678 . 1 1 102 102 VAL CG1 C 13 20.412 0.05 . 1 . . . . . . . . 7021 1 679 . 1 1 102 102 VAL CG2 C 13 20.959 0.05 . 1 . . . . . . . . 7021 1 680 . 1 1 102 102 VAL N N 15 133.640 0.05 . 1 . . . . . . . . 7021 1 681 . 1 1 103 103 VAL H H 1 8.196 0.02 . 1 . . . . . . . . 7021 1 682 . 1 1 103 103 VAL HA H 1 4.362 0.02 . 1 . . . . . . . . 7021 1 683 . 1 1 103 103 VAL HB H 1 1.823 0.02 . 1 . . . . . . . . 7021 1 684 . 1 1 103 103 VAL HG11 H 1 0.757 0.02 . 2 . . . . . . . . 7021 1 685 . 1 1 103 103 VAL HG12 H 1 0.757 0.02 . 2 . . . . . . . . 7021 1 686 . 1 1 103 103 VAL HG13 H 1 0.757 0.02 . 2 . . . . . . . . 7021 1 687 . 1 1 103 103 VAL HG21 H 1 0.831 0.02 . 2 . . . . . . . . 7021 1 688 . 1 1 103 103 VAL HG22 H 1 0.831 0.02 . 2 . . . . . . . . 7021 1 689 . 1 1 103 103 VAL HG23 H 1 0.831 0.02 . 2 . . . . . . . . 7021 1 690 . 1 1 103 103 VAL C C 13 176.138 0.05 . 1 . . . . . . . . 7021 1 691 . 1 1 103 103 VAL CA C 13 61.164 0.05 . 1 . . . . . . . . 7021 1 692 . 1 1 103 103 VAL CB C 13 32.530 0.05 . 1 . . . . . . . . 7021 1 693 . 1 1 103 103 VAL CG1 C 13 21.232 0.05 . 1 . . . . . . . . 7021 1 694 . 1 1 103 103 VAL N N 15 124.781 0.05 . 1 . . . . . . . . 7021 1 695 . 1 1 104 104 LEU H H 1 8.915 0.02 . 1 . . . . . . . . 7021 1 696 . 1 1 104 104 LEU CA C 13 53.196 0.05 . 1 . . . . . . . . 7021 1 697 . 1 1 104 104 LEU CB C 13 40.373 0.05 . 1 . . . . . . . . 7021 1 698 . 1 1 104 104 LEU N N 15 130.040 0.05 . 1 . . . . . . . . 7021 1 699 . 1 1 105 105 PRO HA H 1 4.183 0.02 . 1 . . . . . . . . 7021 1 700 . 1 1 105 105 PRO HB2 H 1 1.835 0.02 . 2 . . . . . . . . 7021 1 701 . 1 1 105 105 PRO HB3 H 1 2.288 0.02 . 2 . . . . . . . . 7021 1 702 . 1 1 105 105 PRO HG2 H 1 1.944 0.02 . 2 . . . . . . . . 7021 1 703 . 1 1 105 105 PRO HG3 H 1 2.073 0.02 . 2 . . . . . . . . 7021 1 704 . 1 1 105 105 PRO HD2 H 1 3.790 0.02 . 2 . . . . . . . . 7021 1 705 . 1 1 105 105 PRO HD3 H 1 3.848 0.02 . 2 . . . . . . . . 7021 1 706 . 1 1 105 105 PRO C C 13 177.492 0.05 . 1 . . . . . . . . 7021 1 707 . 1 1 105 105 PRO CA C 13 65.412 0.05 . 1 . . . . . . . . 7021 1 708 . 1 1 105 105 PRO CB C 13 31.331 0.05 . 1 . . . . . . . . 7021 1 709 . 1 1 105 105 PRO CG C 13 26.975 0.05 . 1 . . . . . . . . 7021 1 710 . 1 1 105 105 PRO CD C 13 50.217 0.05 . 1 . . . . . . . . 7021 1 711 . 1 1 106 106 SER H H 1 8.366 0.02 . 1 . . . . . . . . 7021 1 712 . 1 1 106 106 SER HA H 1 4.076 0.02 . 1 . . . . . . . . 7021 1 713 . 1 1 106 106 SER HB2 H 1 3.885 0.02 . 1 . . . . . . . . 7021 1 714 . 1 1 106 106 SER HB3 H 1 3.885 0.02 . 1 . . . . . . . . 7021 1 715 . 1 1 106 106 SER C C 13 175.512 0.05 . 1 . . . . . . . . 7021 1 716 . 1 1 106 106 SER CA C 13 58.810 0.05 . 1 . . . . . . . . 7021 1 717 . 1 1 106 106 SER CB C 13 62.890 0.05 . 1 . . . . . . . . 7021 1 718 . 1 1 106 106 SER N N 15 112.164 0.05 . 1 . . . . . . . . 7021 1 719 . 1 1 107 107 GLY H H 1 8.269 0.02 . 1 . . . . . . . . 7021 1 720 . 1 1 107 107 GLY HA2 H 1 3.396 0.02 . 2 . . . . . . . . 7021 1 721 . 1 1 107 107 GLY HA3 H 1 4.398 0.02 . 2 . . . . . . . . 7021 1 722 . 1 1 107 107 GLY C C 13 173.543 0.05 . 1 . . . . . . . . 7021 1 723 . 1 1 107 107 GLY CA C 13 44.090 0.05 . 1 . . . . . . . . 7021 1 724 . 1 1 107 107 GLY N N 15 111.027 0.05 . 1 . . . . . . . . 7021 1 725 . 1 1 108 108 LEU H H 1 7.653 0.02 . 1 . . . . . . . . 7021 1 726 . 1 1 108 108 LEU HA H 1 4.070 0.02 . 1 . . . . . . . . 7021 1 727 . 1 1 108 108 LEU HB2 H 1 1.311 0.02 . 2 . . . . . . . . 7021 1 728 . 1 1 108 108 LEU HB3 H 1 1.692 0.02 . 2 . . . . . . . . 7021 1 729 . 1 1 108 108 LEU HD11 H 1 1.115 0.02 . 2 . . . . . . . . 7021 1 730 . 1 1 108 108 LEU HD12 H 1 1.115 0.02 . 2 . . . . . . . . 7021 1 731 . 1 1 108 108 LEU HD13 H 1 1.115 0.02 . 2 . . . . . . . . 7021 1 732 . 1 1 108 108 LEU HD21 H 1 0.963 0.02 . 2 . . . . . . . . 7021 1 733 . 1 1 108 108 LEU HD22 H 1 0.963 0.02 . 2 . . . . . . . . 7021 1 734 . 1 1 108 108 LEU HD23 H 1 0.963 0.02 . 2 . . . . . . . . 7021 1 735 . 1 1 108 108 LEU C C 13 174.046 0.05 . 1 . . . . . . . . 7021 1 736 . 1 1 108 108 LEU CA C 13 56.310 0.05 . 1 . . . . . . . . 7021 1 737 . 1 1 108 108 LEU CB C 13 42.420 0.05 . 1 . . . . . . . . 7021 1 738 . 1 1 108 108 LEU CD1 C 13 25.334 0.05 . 1 . . . . . . . . 7021 1 739 . 1 1 108 108 LEU CD2 C 13 25.334 0.05 . 1 . . . . . . . . 7021 1 740 . 1 1 108 108 LEU N N 15 122.453 0.05 . 1 . . . . . . . . 7021 1 741 . 1 1 109 109 GLN H H 1 8.165 0.02 . 1 . . . . . . . . 7021 1 742 . 1 1 109 109 GLN HA H 1 5.899 0.02 . 1 . . . . . . . . 7021 1 743 . 1 1 109 109 GLN HB2 H 1 1.835 0.02 . 2 . . . . . . . . 7021 1 744 . 1 1 109 109 GLN HB3 H 1 2.158 0.02 . 2 . . . . . . . . 7021 1 745 . 1 1 109 109 GLN HG2 H 1 2.622 0.02 . 1 . . . . . . . . 7021 1 746 . 1 1 109 109 GLN HG3 H 1 2.622 0.02 . 1 . . . . . . . . 7021 1 747 . 1 1 109 109 GLN C C 13 176.268 0.05 . 1 . . . . . . . . 7021 1 748 . 1 1 109 109 GLN CA C 13 52.040 0.05 . 1 . . . . . . . . 7021 1 749 . 1 1 109 109 GLN CB C 13 30.890 0.05 . 1 . . . . . . . . 7021 1 750 . 1 1 109 109 GLN CG C 13 32.717 0.05 . 1 . . . . . . . . 7021 1 751 . 1 1 109 109 GLN N N 15 121.955 0.05 . 1 . . . . . . . . 7021 1 752 . 1 1 110 110 TYR H H 1 9.255 0.02 . 1 . . . . . . . . 7021 1 753 . 1 1 110 110 TYR HA H 1 5.828 0.02 . 1 . . . . . . . . 7021 1 754 . 1 1 110 110 TYR HB2 H 1 2.824 0.02 . 1 . . . . . . . . 7021 1 755 . 1 1 110 110 TYR HB3 H 1 2.824 0.02 . 1 . . . . . . . . 7021 1 756 . 1 1 110 110 TYR C C 13 171.401 0.05 . 1 . . . . . . . . 7021 1 757 . 1 1 110 110 TYR CA C 13 56.690 0.05 . 1 . . . . . . . . 7021 1 758 . 1 1 110 110 TYR CB C 13 43.150 0.05 . 1 . . . . . . . . 7021 1 759 . 1 1 110 110 TYR N N 15 117.911 0.05 . 1 . . . . . . . . 7021 1 760 . 1 1 111 111 LYS H H 1 9.432 0.02 . 1 . . . . . . . . 7021 1 761 . 1 1 111 111 LYS HA H 1 4.541 0.02 . 1 . . . . . . . . 7021 1 762 . 1 1 111 111 LYS HB2 H 1 1.609 0.02 . 2 . . . . . . . . 7021 1 763 . 1 1 111 111 LYS HB3 H 1 1.811 0.02 . 2 . . . . . . . . 7021 1 764 . 1 1 111 111 LYS HG2 H 1 1.170 0.02 . 2 . . . . . . . . 7021 1 765 . 1 1 111 111 LYS HG3 H 1 1.045 0.02 . 2 . . . . . . . . 7021 1 766 . 1 1 111 111 LYS HD2 H 1 1.522 0.02 . 1 . . . . . . . . 7021 1 767 . 1 1 111 111 LYS HD3 H 1 1.522 0.02 . 1 . . . . . . . . 7021 1 768 . 1 1 111 111 LYS HE2 H 1 2.844 0.02 . 2 . . . . . . . . 7021 1 769 . 1 1 111 111 LYS HE3 H 1 2.750 0.02 . 2 . . . . . . . . 7021 1 770 . 1 1 111 111 LYS C C 13 174.864 0.05 . 1 . . . . . . . . 7021 1 771 . 1 1 111 111 LYS CA C 13 54.980 0.05 . 1 . . . . . . . . 7021 1 772 . 1 1 111 111 LYS CB C 13 37.590 0.05 . 1 . . . . . . . . 7021 1 773 . 1 1 111 111 LYS CG C 13 25.060 0.05 . 1 . . . . . . . . 7021 1 774 . 1 1 111 111 LYS CD C 13 29.436 0.05 . 1 . . . . . . . . 7021 1 775 . 1 1 111 111 LYS N N 15 120.089 0.05 . 1 . . . . . . . . 7021 1 776 . 1 1 112 112 VAL H H 1 8.945 0.02 . 1 . . . . . . . . 7021 1 777 . 1 1 112 112 VAL HA H 1 3.420 0.02 . 1 . . . . . . . . 7021 1 778 . 1 1 112 112 VAL HB H 1 1.792 0.02 . 1 . . . . . . . . 7021 1 779 . 1 1 112 112 VAL HG11 H 1 0.309 0.02 . 2 . . . . . . . . 7021 1 780 . 1 1 112 112 VAL HG12 H 1 0.309 0.02 . 2 . . . . . . . . 7021 1 781 . 1 1 112 112 VAL HG13 H 1 0.309 0.02 . 2 . . . . . . . . 7021 1 782 . 1 1 112 112 VAL HG21 H 1 0.776 0.02 . 2 . . . . . . . . 7021 1 783 . 1 1 112 112 VAL HG22 H 1 0.776 0.02 . 2 . . . . . . . . 7021 1 784 . 1 1 112 112 VAL HG23 H 1 0.776 0.02 . 2 . . . . . . . . 7021 1 785 . 1 1 112 112 VAL C C 13 176.175 0.05 . 1 . . . . . . . . 7021 1 786 . 1 1 112 112 VAL CA C 13 64.140 0.05 . 1 . . . . . . . . 7021 1 787 . 1 1 112 112 VAL CB C 13 31.290 0.05 . 1 . . . . . . . . 7021 1 788 . 1 1 112 112 VAL CG1 C 13 20.138 0.05 . 1 . . . . . . . . 7021 1 789 . 1 1 112 112 VAL CG2 C 13 20.685 0.05 . 1 . . . . . . . . 7021 1 790 . 1 1 112 112 VAL N N 15 128.129 0.05 . 1 . . . . . . . . 7021 1 791 . 1 1 113 113 ILE H H 1 8.402 0.02 . 1 . . . . . . . . 7021 1 792 . 1 1 113 113 ILE HA H 1 4.106 0.02 . 1 . . . . . . . . 7021 1 793 . 1 1 113 113 ILE HB H 1 1.636 0.02 . 1 . . . . . . . . 7021 1 794 . 1 1 113 113 ILE HG12 H 1 1.225 0.02 . 1 . . . . . . . . 7021 1 795 . 1 1 113 113 ILE HG13 H 1 1.225 0.02 . 1 . . . . . . . . 7021 1 796 . 1 1 113 113 ILE HG21 H 1 0.804 0.02 . 1 . . . . . . . . 7021 1 797 . 1 1 113 113 ILE HG22 H 1 0.804 0.02 . 1 . . . . . . . . 7021 1 798 . 1 1 113 113 ILE HG23 H 1 0.804 0.02 . 1 . . . . . . . . 7021 1 799 . 1 1 113 113 ILE HD11 H 1 0.646 0.02 . 1 . . . . . . . . 7021 1 800 . 1 1 113 113 ILE HD12 H 1 0.646 0.02 . 1 . . . . . . . . 7021 1 801 . 1 1 113 113 ILE HD13 H 1 0.646 0.02 . 1 . . . . . . . . 7021 1 802 . 1 1 113 113 ILE C C 13 176.285 0.05 . 1 . . . . . . . . 7021 1 803 . 1 1 113 113 ILE CA C 13 62.320 0.05 . 1 . . . . . . . . 7021 1 804 . 1 1 113 113 ILE CB C 13 36.760 0.05 . 1 . . . . . . . . 7021 1 805 . 1 1 113 113 ILE CG1 C 13 26.975 0.05 . 1 . . . . . . . . 7021 1 806 . 1 1 113 113 ILE CG2 C 13 16.857 0.05 . 1 . . . . . . . . 7021 1 807 . 1 1 113 113 ILE CD1 C 13 11.662 0.05 . 1 . . . . . . . . 7021 1 808 . 1 1 113 113 ILE N N 15 130.070 0.05 . 1 . . . . . . . . 7021 1 809 . 1 1 114 114 ASN H H 1 8.630 0.02 . 1 . . . . . . . . 7021 1 810 . 1 1 114 114 ASN HA H 1 4.933 0.02 . 1 . . . . . . . . 7021 1 811 . 1 1 114 114 ASN HB2 H 1 2.642 0.02 . 2 . . . . . . . . 7021 1 812 . 1 1 114 114 ASN HB3 H 1 2.732 0.02 . 2 . . . . . . . . 7021 1 813 . 1 1 114 114 ASN C C 13 174.244 0.05 . 1 . . . . . . . . 7021 1 814 . 1 1 114 114 ASN CA C 13 53.290 0.05 . 1 . . . . . . . . 7021 1 815 . 1 1 114 114 ASN CB C 13 42.080 0.05 . 1 . . . . . . . . 7021 1 816 . 1 1 114 114 ASN N N 15 115.904 0.05 . 1 . . . . . . . . 7021 1 817 . 1 1 115 115 SER H H 1 8.997 0.02 . 1 . . . . . . . . 7021 1 818 . 1 1 115 115 SER HA H 1 4.793 0.02 . 1 . . . . . . . . 7021 1 819 . 1 1 115 115 SER HB2 H 1 3.807 0.02 . 2 . . . . . . . . 7021 1 820 . 1 1 115 115 SER HB3 H 1 3.877 0.02 . 2 . . . . . . . . 7021 1 821 . 1 1 115 115 SER C C 13 174.354 0.05 . 1 . . . . . . . . 7021 1 822 . 1 1 115 115 SER CA C 13 58.170 0.05 . 1 . . . . . . . . 7021 1 823 . 1 1 115 115 SER CB C 13 63.820 0.05 . 1 . . . . . . . . 7021 1 824 . 1 1 115 115 SER N N 15 121.634 0.05 . 1 . . . . . . . . 7021 1 825 . 1 1 116 116 GLY H H 1 8.049 0.02 . 1 . . . . . . . . 7021 1 826 . 1 1 116 116 GLY HA2 H 1 3.409 0.02 . 2 . . . . . . . . 7021 1 827 . 1 1 116 116 GLY HA3 H 1 4.305 0.02 . 2 . . . . . . . . 7021 1 828 . 1 1 116 116 GLY C C 13 172.617 0.05 . 1 . . . . . . . . 7021 1 829 . 1 1 116 116 GLY CA C 13 43.430 0.05 . 1 . . . . . . . . 7021 1 830 . 1 1 116 116 GLY N N 15 112.794 0.05 . 1 . . . . . . . . 7021 1 831 . 1 1 117 117 ASN H H 1 8.365 0.02 . 1 . . . . . . . . 7021 1 832 . 1 1 117 117 ASN HA H 1 4.903 0.02 . 1 . . . . . . . . 7021 1 833 . 1 1 117 117 ASN HB2 H 1 2.732 0.02 . 1 . . . . . . . . 7021 1 834 . 1 1 117 117 ASN HB3 H 1 2.732 0.02 . 1 . . . . . . . . 7021 1 835 . 1 1 117 117 ASN C C 13 175.913 0.05 . 1 . . . . . . . . 7021 1 836 . 1 1 117 117 ASN CA C 13 52.260 0.05 . 1 . . . . . . . . 7021 1 837 . 1 1 117 117 ASN CB C 13 39.470 0.05 . 1 . . . . . . . . 7021 1 838 . 1 1 117 117 ASN N N 15 115.552 0.05 . 1 . . . . . . . . 7021 1 839 . 1 1 118 118 GLY H H 1 8.118 0.02 . 1 . . . . . . . . 7021 1 840 . 1 1 118 118 GLY HA2 H 1 3.678 0.02 . 2 . . . . . . . . 7021 1 841 . 1 1 118 118 GLY HA3 H 1 4.305 0.02 . 2 . . . . . . . . 7021 1 842 . 1 1 118 118 GLY C C 13 172.209 0.05 . 1 . . . . . . . . 7021 1 843 . 1 1 118 118 GLY CA C 13 44.330 0.05 . 1 . . . . . . . . 7021 1 844 . 1 1 118 118 GLY N N 15 108.941 0.05 . 1 . . . . . . . . 7021 1 845 . 1 1 119 119 VAL H H 1 7.920 0.02 . 1 . . . . . . . . 7021 1 846 . 1 1 119 119 VAL HA H 1 3.947 0.02 . 1 . . . . . . . . 7021 1 847 . 1 1 119 119 VAL HB H 1 1.945 0.02 . 1 . . . . . . . . 7021 1 848 . 1 1 119 119 VAL HG11 H 1 0.788 0.02 . 2 . . . . . . . . 7021 1 849 . 1 1 119 119 VAL HG12 H 1 0.788 0.02 . 2 . . . . . . . . 7021 1 850 . 1 1 119 119 VAL HG13 H 1 0.788 0.02 . 2 . . . . . . . . 7021 1 851 . 1 1 119 119 VAL HG21 H 1 0.750 0.02 . 2 . . . . . . . . 7021 1 852 . 1 1 119 119 VAL HG22 H 1 0.750 0.02 . 2 . . . . . . . . 7021 1 853 . 1 1 119 119 VAL HG23 H 1 0.750 0.02 . 2 . . . . . . . . 7021 1 854 . 1 1 119 119 VAL C C 13 175.395 0.05 . 1 . . . . . . . . 7021 1 855 . 1 1 119 119 VAL CA C 13 61.590 0.05 . 1 . . . . . . . . 7021 1 856 . 1 1 119 119 VAL CB C 13 32.290 0.05 . 1 . . . . . . . . 7021 1 857 . 1 1 119 119 VAL CG1 C 13 21.432 0.05 . 1 . . . . . . . . 7021 1 858 . 1 1 119 119 VAL CG2 C 13 20.065 0.05 . 1 . . . . . . . . 7021 1 859 . 1 1 119 119 VAL N N 15 115.870 0.05 . 1 . . . . . . . . 7021 1 860 . 1 1 120 120 LYS H H 1 7.973 0.02 . 1 . . . . . . . . 7021 1 861 . 1 1 120 120 LYS CA C 13 53.030 0.05 . 1 . . . . . . . . 7021 1 862 . 1 1 120 120 LYS CB C 13 31.990 0.05 . 1 . . . . . . . . 7021 1 863 . 1 1 120 120 LYS N N 15 122.667 0.05 . 1 . . . . . . . . 7021 1 864 . 1 1 121 121 PRO HA H 1 4.345 0.02 . 1 . . . . . . . . 7021 1 865 . 1 1 121 121 PRO HB2 H 1 1.706 0.02 . 1 . . . . . . . . 7021 1 866 . 1 1 121 121 PRO HB3 H 1 1.706 0.02 . 1 . . . . . . . . 7021 1 867 . 1 1 121 121 PRO C C 13 176.744 0.05 . 1 . . . . . . . . 7021 1 868 . 1 1 121 121 PRO CA C 13 62.256 0.05 . 1 . . . . . . . . 7021 1 869 . 1 1 121 121 PRO CB C 13 32.322 0.05 . 1 . . . . . . . . 7021 1 870 . 1 1 122 122 GLY H H 1 9.316 0.02 . 1 . . . . . . . . 7021 1 871 . 1 1 122 122 GLY HA2 H 1 3.548 0.02 . 2 . . . . . . . . 7021 1 872 . 1 1 122 122 GLY HA3 H 1 4.345 0.02 . 2 . . . . . . . . 7021 1 873 . 1 1 122 122 GLY C C 13 175.249 0.05 . 1 . . . . . . . . 7021 1 874 . 1 1 122 122 GLY CA C 13 43.100 0.05 . 1 . . . . . . . . 7021 1 875 . 1 1 122 122 GLY N N 15 110.014 0.05 . 1 . . . . . . . . 7021 1 876 . 1 1 123 123 LYS H H 1 8.055 0.02 . 1 . . . . . . . . 7021 1 877 . 1 1 123 123 LYS HA H 1 3.533 0.02 . 1 . . . . . . . . 7021 1 878 . 1 1 123 123 LYS HB2 H 1 1.609 0.02 . 1 . . . . . . . . 7021 1 879 . 1 1 123 123 LYS HB3 H 1 1.609 0.02 . 1 . . . . . . . . 7021 1 880 . 1 1 123 123 LYS HG2 H 1 1.188 0.02 . 2 . . . . . . . . 7021 1 881 . 1 1 123 123 LYS HG3 H 1 1.234 0.02 . 2 . . . . . . . . 7021 1 882 . 1 1 123 123 LYS HD2 H 1 1.515 0.02 . 1 . . . . . . . . 7021 1 883 . 1 1 123 123 LYS HD3 H 1 1.515 0.02 . 1 . . . . . . . . 7021 1 884 . 1 1 123 123 LYS HE2 H 1 2.823 0.02 . 1 . . . . . . . . 7021 1 885 . 1 1 123 123 LYS HE3 H 1 2.823 0.02 . 1 . . . . . . . . 7021 1 886 . 1 1 123 123 LYS C C 13 176.410 0.05 . 1 . . . . . . . . 7021 1 887 . 1 1 123 123 LYS CA C 13 59.290 0.05 . 1 . . . . . . . . 7021 1 888 . 1 1 123 123 LYS CB C 13 32.150 0.05 . 1 . . . . . . . . 7021 1 889 . 1 1 123 123 LYS CG C 13 25.260 0.05 . 1 . . . . . . . . 7021 1 890 . 1 1 123 123 LYS CD C 13 29.362 0.05 . 1 . . . . . . . . 7021 1 891 . 1 1 123 123 LYS CE C 13 41.667 0.05 . 1 . . . . . . . . 7021 1 892 . 1 1 123 123 LYS N N 15 117.361 0.05 . 1 . . . . . . . . 7021 1 893 . 1 1 124 124 SER H H 1 8.165 0.02 . 1 . . . . . . . . 7021 1 894 . 1 1 124 124 SER HA H 1 4.638 0.02 . 1 . . . . . . . . 7021 1 895 . 1 1 124 124 SER HB2 H 1 3.819 0.02 . 1 . . . . . . . . 7021 1 896 . 1 1 124 124 SER HB3 H 1 3.819 0.02 . 1 . . . . . . . . 7021 1 897 . 1 1 124 124 SER C C 13 174.861 0.05 . 1 . . . . . . . . 7021 1 898 . 1 1 124 124 SER CA C 13 57.310 0.05 . 1 . . . . . . . . 7021 1 899 . 1 1 124 124 SER CB C 13 63.530 0.05 . 1 . . . . . . . . 7021 1 900 . 1 1 124 124 SER N N 15 110.247 0.05 . 1 . . . . . . . . 7021 1 901 . 1 1 125 125 ASP H H 1 7.170 0.02 . 1 . . . . . . . . 7021 1 902 . 1 1 125 125 ASP HA H 1 4.714 0.02 . 1 . . . . . . . . 7021 1 903 . 1 1 125 125 ASP HB2 H 1 2.562 0.02 . 1 . . . . . . . . 7021 1 904 . 1 1 125 125 ASP HB3 H 1 2.562 0.02 . 1 . . . . . . . . 7021 1 905 . 1 1 125 125 ASP C C 13 174.719 0.05 . 1 . . . . . . . . 7021 1 906 . 1 1 125 125 ASP CA C 13 55.070 0.05 . 1 . . . . . . . . 7021 1 907 . 1 1 125 125 ASP CB C 13 41.850 0.05 . 1 . . . . . . . . 7021 1 908 . 1 1 125 125 ASP N N 15 122.676 0.05 . 1 . . . . . . . . 7021 1 909 . 1 1 126 126 THR H H 1 8.361 0.02 . 1 . . . . . . . . 7021 1 910 . 1 1 126 126 THR HA H 1 4.952 0.02 . 1 . . . . . . . . 7021 1 911 . 1 1 126 126 THR HB H 1 3.790 0.02 . 1 . . . . . . . . 7021 1 912 . 1 1 126 126 THR HG21 H 1 0.918 0.02 . 1 . . . . . . . . 7021 1 913 . 1 1 126 126 THR HG22 H 1 0.918 0.02 . 1 . . . . . . . . 7021 1 914 . 1 1 126 126 THR HG23 H 1 0.918 0.02 . 1 . . . . . . . . 7021 1 915 . 1 1 126 126 THR C C 13 173.870 0.05 . 1 . . . . . . . . 7021 1 916 . 1 1 126 126 THR CA C 13 62.260 0.05 . 1 . . . . . . . . 7021 1 917 . 1 1 126 126 THR CB C 13 70.640 0.05 . 1 . . . . . . . . 7021 1 918 . 1 1 126 126 THR CG2 C 13 21.706 0.05 . 1 . . . . . . . . 7021 1 919 . 1 1 126 126 THR N N 15 116.428 0.05 . 1 . . . . . . . . 7021 1 920 . 1 1 127 127 VAL H H 1 9.170 0.02 . 1 . . . . . . . . 7021 1 921 . 1 1 127 127 VAL HA H 1 5.076 0.02 . 1 . . . . . . . . 7021 1 922 . 1 1 127 127 VAL HB H 1 1.857 0.02 . 1 . . . . . . . . 7021 1 923 . 1 1 127 127 VAL HG11 H 1 0.552 0.02 . 2 . . . . . . . . 7021 1 924 . 1 1 127 127 VAL HG12 H 1 0.552 0.02 . 2 . . . . . . . . 7021 1 925 . 1 1 127 127 VAL HG13 H 1 0.552 0.02 . 2 . . . . . . . . 7021 1 926 . 1 1 127 127 VAL HG21 H 1 0.667 0.02 . 2 . . . . . . . . 7021 1 927 . 1 1 127 127 VAL HG22 H 1 0.667 0.02 . 2 . . . . . . . . 7021 1 928 . 1 1 127 127 VAL HG23 H 1 0.667 0.02 . 2 . . . . . . . . 7021 1 929 . 1 1 127 127 VAL C C 13 173.883 0.05 . 1 . . . . . . . . 7021 1 930 . 1 1 127 127 VAL CA C 13 58.150 0.05 . 1 . . . . . . . . 7021 1 931 . 1 1 127 127 VAL CB C 13 34.370 0.05 . 1 . . . . . . . . 7021 1 932 . 1 1 127 127 VAL CG1 C 13 18.546 0.05 . 1 . . . . . . . . 7021 1 933 . 1 1 127 127 VAL CG2 C 13 23.346 0.05 . 1 . . . . . . . . 7021 1 934 . 1 1 127 127 VAL N N 15 118.690 0.05 . 1 . . . . . . . . 7021 1 935 . 1 1 128 128 THR H H 1 8.058 0.02 . 1 . . . . . . . . 7021 1 936 . 1 1 128 128 THR HA H 1 5.267 0.02 . 1 . . . . . . . . 7021 1 937 . 1 1 128 128 THR HB H 1 3.733 0.02 . 1 . . . . . . . . 7021 1 938 . 1 1 128 128 THR HG21 H 1 0.897 0.02 . 1 . . . . . . . . 7021 1 939 . 1 1 128 128 THR HG22 H 1 0.897 0.02 . 1 . . . . . . . . 7021 1 940 . 1 1 128 128 THR HG23 H 1 0.897 0.02 . 1 . . . . . . . . 7021 1 941 . 1 1 128 128 THR C C 13 174.986 0.05 . 1 . . . . . . . . 7021 1 942 . 1 1 128 128 THR CA C 13 61.537 0.05 . 1 . . . . . . . . 7021 1 943 . 1 1 128 128 THR CB C 13 69.878 0.05 . 1 . . . . . . . . 7021 1 944 . 1 1 128 128 THR CG2 C 13 21.979 0.05 . 1 . . . . . . . . 7021 1 945 . 1 1 128 128 THR N N 15 117.631 0.05 . 1 . . . . . . . . 7021 1 946 . 1 1 129 129 VAL H H 1 9.492 0.02 . 1 . . . . . . . . 7021 1 947 . 1 1 129 129 VAL HA H 1 5.324 0.02 . 1 . . . . . . . . 7021 1 948 . 1 1 129 129 VAL HB H 1 2.038 0.02 . 1 . . . . . . . . 7021 1 949 . 1 1 129 129 VAL HG11 H 1 0.646 0.02 . 2 . . . . . . . . 7021 1 950 . 1 1 129 129 VAL HG12 H 1 0.646 0.02 . 2 . . . . . . . . 7021 1 951 . 1 1 129 129 VAL HG13 H 1 0.646 0.02 . 2 . . . . . . . . 7021 1 952 . 1 1 129 129 VAL HG21 H 1 0.950 0.02 . 2 . . . . . . . . 7021 1 953 . 1 1 129 129 VAL HG22 H 1 0.950 0.02 . 2 . . . . . . . . 7021 1 954 . 1 1 129 129 VAL HG23 H 1 0.950 0.02 . 2 . . . . . . . . 7021 1 955 . 1 1 129 129 VAL C C 13 174.809 0.05 . 1 . . . . . . . . 7021 1 956 . 1 1 129 129 VAL CA C 13 58.425 0.05 . 1 . . . . . . . . 7021 1 957 . 1 1 129 129 VAL CB C 13 36.016 0.05 . 1 . . . . . . . . 7021 1 958 . 1 1 129 129 VAL CG1 C 13 22.253 0.05 . 1 . . . . . . . . 7021 1 959 . 1 1 129 129 VAL CG2 C 13 20.612 0.05 . 1 . . . . . . . . 7021 1 960 . 1 1 129 129 VAL N N 15 119.268 0.05 . 1 . . . . . . . . 7021 1 961 . 1 1 130 130 GLU H H 1 8.575 0.02 . 1 . . . . . . . . 7021 1 962 . 1 1 130 130 GLU HA H 1 4.924 0.02 . 1 . . . . . . . . 7021 1 963 . 1 1 130 130 GLU HB2 H 1 1.952 0.02 . 1 . . . . . . . . 7021 1 964 . 1 1 130 130 GLU HB3 H 1 1.952 0.02 . 1 . . . . . . . . 7021 1 965 . 1 1 130 130 GLU HG2 H 1 2.175 0.02 . 2 . . . . . . . . 7021 1 966 . 1 1 130 130 GLU HG3 H 1 2.085 0.02 . 2 . . . . . . . . 7021 1 967 . 1 1 130 130 GLU C C 13 175.828 0.05 . 1 . . . . . . . . 7021 1 968 . 1 1 130 130 GLU CA C 13 54.690 0.05 . 1 . . . . . . . . 7021 1 969 . 1 1 130 130 GLU CB C 13 32.530 0.05 . 1 . . . . . . . . 7021 1 970 . 1 1 130 130 GLU CG C 13 36.272 0.05 . 1 . . . . . . . . 7021 1 971 . 1 1 130 130 GLU N N 15 119.969 0.05 . 1 . . . . . . . . 7021 1 972 . 1 1 131 131 TYR H H 1 8.744 0.02 . 1 . . . . . . . . 7021 1 973 . 1 1 131 131 TYR HA H 1 5.924 0.02 . 1 . . . . . . . . 7021 1 974 . 1 1 131 131 TYR HB2 H 1 2.857 0.02 . 2 . . . . . . . . 7021 1 975 . 1 1 131 131 TYR HB3 H 1 2.990 0.02 . 2 . . . . . . . . 7021 1 976 . 1 1 131 131 TYR C C 13 173.356 0.05 . 1 . . . . . . . . 7021 1 977 . 1 1 131 131 TYR CA C 13 57.055 0.05 . 1 . . . . . . . . 7021 1 978 . 1 1 131 131 TYR CB C 13 42.490 0.05 . 1 . . . . . . . . 7021 1 979 . 1 1 131 131 TYR N N 15 120.106 0.05 . 1 . . . . . . . . 7021 1 980 . 1 1 132 132 THR H H 1 8.558 0.02 . 1 . . . . . . . . 7021 1 981 . 1 1 132 132 THR HA H 1 4.562 0.02 . 1 . . . . . . . . 7021 1 982 . 1 1 132 132 THR HB H 1 3.876 0.02 . 1 . . . . . . . . 7021 1 983 . 1 1 132 132 THR HG21 H 1 1.138 0.02 . 1 . . . . . . . . 7021 1 984 . 1 1 132 132 THR HG22 H 1 1.138 0.02 . 1 . . . . . . . . 7021 1 985 . 1 1 132 132 THR HG23 H 1 1.138 0.02 . 1 . . . . . . . . 7021 1 986 . 1 1 132 132 THR C C 13 173.559 0.05 . 1 . . . . . . . . 7021 1 987 . 1 1 132 132 THR CA C 13 62.824 0.05 . 1 . . . . . . . . 7021 1 988 . 1 1 132 132 THR CB C 13 72.625 0.05 . 1 . . . . . . . . 7021 1 989 . 1 1 132 132 THR CG2 C 13 23.070 0.05 . 1 . . . . . . . . 7021 1 990 . 1 1 132 132 THR N N 15 114.602 0.05 . 1 . . . . . . . . 7021 1 991 . 1 1 133 133 GLY H H 1 9.301 0.02 . 1 . . . . . . . . 7021 1 992 . 1 1 133 133 GLY HA2 H 1 2.409 0.02 . 2 . . . . . . . . 7021 1 993 . 1 1 133 133 GLY HA3 H 1 4.610 0.02 . 2 . . . . . . . . 7021 1 994 . 1 1 133 133 GLY C C 13 170.451 0.05 . 1 . . . . . . . . 7021 1 995 . 1 1 133 133 GLY CA C 13 45.493 0.05 . 1 . . . . . . . . 7021 1 996 . 1 1 133 133 GLY N N 15 116.951 0.05 . 1 . . . . . . . . 7021 1 997 . 1 1 134 134 ARG H H 1 9.450 0.02 . 1 . . . . . . . . 7021 1 998 . 1 1 134 134 ARG HA H 1 5.395 0.02 . 1 . . . . . . . . 7021 1 999 . 1 1 134 134 ARG HB2 H 1 1.311 0.02 . 1 . . . . . . . . 7021 1 1000 . 1 1 134 134 ARG HB3 H 1 1.311 0.02 . 1 . . . . . . . . 7021 1 1001 . 1 1 134 134 ARG HG2 H 1 1.364 0.02 . 2 . . . . . . . . 7021 1 1002 . 1 1 134 134 ARG HG3 H 1 1.208 0.02 . 2 . . . . . . . . 7021 1 1003 . 1 1 134 134 ARG HD2 H 1 2.955 0.02 . 2 . . . . . . . . 7021 1 1004 . 1 1 134 134 ARG HD3 H 1 2.771 0.02 . 2 . . . . . . . . 7021 1 1005 . 1 1 134 134 ARG C C 13 174.647 0.05 . 1 . . . . . . . . 7021 1 1006 . 1 1 134 134 ARG CA C 13 53.549 0.05 . 1 . . . . . . . . 7021 1 1007 . 1 1 134 134 ARG CB C 13 34.982 0.05 . 1 . . . . . . . . 7021 1 1008 . 1 1 134 134 ARG CG C 13 27.248 0.05 . 1 . . . . . . . . 7021 1 1009 . 1 1 134 134 ARG CD C 13 43.655 0.05 . 1 . . . . . . . . 7021 1 1010 . 1 1 134 134 ARG N N 15 125.333 0.05 . 1 . . . . . . . . 7021 1 1011 . 1 1 135 135 LEU H H 1 8.356 0.02 . 1 . . . . . . . . 7021 1 1012 . 1 1 135 135 LEU HA H 1 5.840 0.02 . 1 . . . . . . . . 7021 1 1013 . 1 1 135 135 LEU HB2 H 1 2.814 0.02 . 1 . . . . . . . . 7021 1 1014 . 1 1 135 135 LEU HB3 H 1 2.814 0.02 . 1 . . . . . . . . 7021 1 1015 . 1 1 135 135 LEU C C 13 180.219 0.05 . 1 . . . . . . . . 7021 1 1016 . 1 1 135 135 LEU CA C 13 52.861 0.05 . 1 . . . . . . . . 7021 1 1017 . 1 1 135 135 LEU CB C 13 41.662 0.05 . 1 . . . . . . . . 7021 1 1018 . 1 1 135 135 LEU N N 15 118.647 0.05 . 1 . . . . . . . . 7021 1 1019 . 1 1 136 136 ILE H H 1 9.379 0.02 . 1 . . . . . . . . 7021 1 1020 . 1 1 136 136 ILE HA H 1 3.247 0.02 . 1 . . . . . . . . 7021 1 1021 . 1 1 136 136 ILE HB H 1 1.460 0.02 . 1 . . . . . . . . 7021 1 1022 . 1 1 136 136 ILE HG12 H 1 0.668 0.02 . 1 . . . . . . . . 7021 1 1023 . 1 1 136 136 ILE HG13 H 1 0.668 0.02 . 1 . . . . . . . . 7021 1 1024 . 1 1 136 136 ILE HG21 H 1 0.413 0.02 . 1 . . . . . . . . 7021 1 1025 . 1 1 136 136 ILE HG22 H 1 0.413 0.02 . 1 . . . . . . . . 7021 1 1026 . 1 1 136 136 ILE HG23 H 1 0.413 0.02 . 1 . . . . . . . . 7021 1 1027 . 1 1 136 136 ILE HD11 H 1 0.413 0.02 . 1 . . . . . . . . 7021 1 1028 . 1 1 136 136 ILE HD12 H 1 0.413 0.02 . 1 . . . . . . . . 7021 1 1029 . 1 1 136 136 ILE HD13 H 1 0.413 0.02 . 1 . . . . . . . . 7021 1 1030 . 1 1 136 136 ILE C C 13 177.268 0.05 . 1 . . . . . . . . 7021 1 1031 . 1 1 136 136 ILE CA C 13 65.239 0.05 . 1 . . . . . . . . 7021 1 1032 . 1 1 136 136 ILE CG1 C 13 14.670 0.05 . 1 . . . . . . . . 7021 1 1033 . 1 1 136 136 ILE CG2 C 13 16.857 0.05 . 1 . . . . . . . . 7021 1 1034 . 1 1 136 136 ILE CD1 C 13 16.857 0.05 . 1 . . . . . . . . 7021 1 1035 . 1 1 136 136 ILE N N 15 120.087 0.05 . 1 . . . . . . . . 7021 1 1036 . 1 1 137 137 ASP H H 1 7.500 0.02 . 1 . . . . . . . . 7021 1 1037 . 1 1 137 137 ASP HA H 1 4.352 0.02 . 1 . . . . . . . . 7021 1 1038 . 1 1 137 137 ASP HB2 H 1 2.466 0.02 . 2 . . . . . . . . 7021 1 1039 . 1 1 137 137 ASP HB3 H 1 2.971 0.02 . 2 . . . . . . . . 7021 1 1040 . 1 1 137 137 ASP C C 13 177.025 0.05 . 1 . . . . . . . . 7021 1 1041 . 1 1 137 137 ASP CA C 13 53.600 0.05 . 1 . . . . . . . . 7021 1 1042 . 1 1 137 137 ASP CB C 13 39.760 0.05 . 1 . . . . . . . . 7021 1 1043 . 1 1 137 137 ASP N N 15 116.973 0.05 . 1 . . . . . . . . 7021 1 1044 . 1 1 138 138 GLY H H 1 7.967 0.02 . 1 . . . . . . . . 7021 1 1045 . 1 1 138 138 GLY HA2 H 1 3.428 0.02 . 2 . . . . . . . . 7021 1 1046 . 1 1 138 138 GLY HA3 H 1 4.362 0.02 . 2 . . . . . . . . 7021 1 1047 . 1 1 138 138 GLY C C 13 174.681 0.05 . 1 . . . . . . . . 7021 1 1048 . 1 1 138 138 GLY CA C 13 44.730 0.05 . 1 . . . . . . . . 7021 1 1049 . 1 1 138 138 GLY N N 15 109.045 0.05 . 1 . . . . . . . . 7021 1 1050 . 1 1 139 139 THR H H 1 8.129 0.02 . 1 . . . . . . . . 7021 1 1051 . 1 1 139 139 THR HA H 1 3.943 0.02 . 1 . . . . . . . . 7021 1 1052 . 1 1 139 139 THR HB H 1 3.733 0.02 . 1 . . . . . . . . 7021 1 1053 . 1 1 139 139 THR HG21 H 1 1.024 0.02 . 1 . . . . . . . . 7021 1 1054 . 1 1 139 139 THR HG22 H 1 1.024 0.02 . 1 . . . . . . . . 7021 1 1055 . 1 1 139 139 THR HG23 H 1 1.024 0.02 . 1 . . . . . . . . 7021 1 1056 . 1 1 139 139 THR C C 13 174.193 0.05 . 1 . . . . . . . . 7021 1 1057 . 1 1 139 139 THR CA C 13 64.670 0.05 . 1 . . . . . . . . 7021 1 1058 . 1 1 139 139 THR CB C 13 69.040 0.05 . 1 . . . . . . . . 7021 1 1059 . 1 1 139 139 THR CG2 C 13 20.158 0.05 . 1 . . . . . . . . 7021 1 1060 . 1 1 139 139 THR N N 15 119.327 0.05 . 1 . . . . . . . . 7021 1 1061 . 1 1 140 140 VAL H H 1 8.788 0.02 . 1 . . . . . . . . 7021 1 1062 . 1 1 140 140 VAL HA H 1 4.200 0.02 . 1 . . . . . . . . 7021 1 1063 . 1 1 140 140 VAL HB H 1 1.876 0.02 . 1 . . . . . . . . 7021 1 1064 . 1 1 140 140 VAL HG11 H 1 0.853 0.02 . 2 . . . . . . . . 7021 1 1065 . 1 1 140 140 VAL HG12 H 1 0.853 0.02 . 2 . . . . . . . . 7021 1 1066 . 1 1 140 140 VAL HG13 H 1 0.853 0.02 . 2 . . . . . . . . 7021 1 1067 . 1 1 140 140 VAL HG21 H 1 0.754 0.02 . 2 . . . . . . . . 7021 1 1068 . 1 1 140 140 VAL HG22 H 1 0.754 0.02 . 2 . . . . . . . . 7021 1 1069 . 1 1 140 140 VAL HG23 H 1 0.754 0.02 . 2 . . . . . . . . 7021 1 1070 . 1 1 140 140 VAL C C 13 176.502 0.05 . 1 . . . . . . . . 7021 1 1071 . 1 1 140 140 VAL CA C 13 62.570 0.05 . 1 . . . . . . . . 7021 1 1072 . 1 1 140 140 VAL CB C 13 31.970 0.05 . 1 . . . . . . . . 7021 1 1073 . 1 1 140 140 VAL N N 15 130.269 0.05 . 1 . . . . . . . . 7021 1 1074 . 1 1 141 141 PHE H H 1 8.106 0.02 . 1 . . . . . . . . 7021 1 1075 . 1 1 141 141 PHE HA H 1 4.952 0.02 . 1 . . . . . . . . 7021 1 1076 . 1 1 141 141 PHE HB2 H 1 2.371 0.02 . 2 . . . . . . . . 7021 1 1077 . 1 1 141 141 PHE HB3 H 1 3.305 0.02 . 2 . . . . . . . . 7021 1 1078 . 1 1 141 141 PHE C C 13 174.604 0.05 . 1 . . . . . . . . 7021 1 1079 . 1 1 141 141 PHE CA C 13 55.910 0.05 . 1 . . . . . . . . 7021 1 1080 . 1 1 141 141 PHE CB C 13 40.540 0.05 . 1 . . . . . . . . 7021 1 1081 . 1 1 141 141 PHE N N 15 124.369 0.05 . 1 . . . . . . . . 7021 1 1082 . 1 1 142 142 ASP H H 1 6.853 0.02 . 1 . . . . . . . . 7021 1 1083 . 1 1 142 142 ASP HA H 1 4.800 0.02 . 1 . . . . . . . . 7021 1 1084 . 1 1 142 142 ASP HB2 H 1 2.371 0.02 . 2 . . . . . . . . 7021 1 1085 . 1 1 142 142 ASP HB3 H 1 3.200 0.02 . 2 . . . . . . . . 7021 1 1086 . 1 1 142 142 ASP C C 13 174.200 0.05 . 1 . . . . . . . . 7021 1 1087 . 1 1 142 142 ASP CA C 13 54.690 0.05 . 1 . . . . . . . . 7021 1 1088 . 1 1 142 142 ASP CB C 13 43.840 0.05 . 1 . . . . . . . . 7021 1 1089 . 1 1 142 142 ASP N N 15 120.796 0.05 . 1 . . . . . . . . 7021 1 1090 . 1 1 143 143 SER H H 1 8.175 0.02 . 1 . . . . . . . . 7021 1 1091 . 1 1 143 143 SER HA H 1 4.743 0.02 . 1 . . . . . . . . 7021 1 1092 . 1 1 143 143 SER HB2 H 1 3.543 0.02 . 2 . . . . . . . . 7021 1 1093 . 1 1 143 143 SER HB3 H 1 4.095 0.02 . 2 . . . . . . . . 7021 1 1094 . 1 1 143 143 SER C C 13 175.243 0.05 . 1 . . . . . . . . 7021 1 1095 . 1 1 143 143 SER CA C 13 56.840 0.05 . 1 . . . . . . . . 7021 1 1096 . 1 1 143 143 SER CB C 13 64.320 0.05 . 1 . . . . . . . . 7021 1 1097 . 1 1 143 143 SER N N 15 117.366 0.05 . 1 . . . . . . . . 7021 1 1098 . 1 1 144 144 THR H H 1 8.633 0.02 . 1 . . . . . . . . 7021 1 1099 . 1 1 144 144 THR HA H 1 4.533 0.02 . 1 . . . . . . . . 7021 1 1100 . 1 1 144 144 THR HB H 1 4.314 0.02 . 1 . . . . . . . . 7021 1 1101 . 1 1 144 144 THR HG21 H 1 1.237 0.02 . 1 . . . . . . . . 7021 1 1102 . 1 1 144 144 THR HG22 H 1 1.237 0.02 . 1 . . . . . . . . 7021 1 1103 . 1 1 144 144 THR HG23 H 1 1.237 0.02 . 1 . . . . . . . . 7021 1 1104 . 1 1 144 144 THR C C 13 176.797 0.05 . 1 . . . . . . . . 7021 1 1105 . 1 1 144 144 THR CA C 13 63.610 0.05 . 1 . . . . . . . . 7021 1 1106 . 1 1 144 144 THR CB C 13 68.370 0.05 . 1 . . . . . . . . 7021 1 1107 . 1 1 144 144 THR CG2 C 13 23.693 0.05 . 1 . . . . . . . . 7021 1 1108 . 1 1 144 144 THR N N 15 117.770 0.05 . 1 . . . . . . . . 7021 1 1109 . 1 1 145 145 GLU H H 1 8.438 0.02 . 1 . . . . . . . . 7021 1 1110 . 1 1 145 145 GLU HA H 1 3.914 0.02 . 1 . . . . . . . . 7021 1 1111 . 1 1 145 145 GLU HB2 H 1 1.762 0.02 . 2 . . . . . . . . 7021 1 1112 . 1 1 145 145 GLU HB3 H 1 1.866 0.02 . 2 . . . . . . . . 7021 1 1113 . 1 1 145 145 GLU C C 13 178.137 0.05 . 1 . . . . . . . . 7021 1 1114 . 1 1 145 145 GLU CA C 13 58.570 0.05 . 1 . . . . . . . . 7021 1 1115 . 1 1 145 145 GLU CB C 13 29.190 0.05 . 1 . . . . . . . . 7021 1 1116 . 1 1 145 145 GLU N N 15 123.077 0.05 . 1 . . . . . . . . 7021 1 1117 . 1 1 146 146 LYS H H 1 7.450 0.02 . 1 . . . . . . . . 7021 1 1118 . 1 1 146 146 LYS HA H 1 4.019 0.02 . 1 . . . . . . . . 7021 1 1119 . 1 1 146 146 LYS HB2 H 1 1.838 0.02 . 1 . . . . . . . . 7021 1 1120 . 1 1 146 146 LYS HB3 H 1 1.838 0.02 . 1 . . . . . . . . 7021 1 1121 . 1 1 146 146 LYS HG2 H 1 1.358 0.02 . 1 . . . . . . . . 7021 1 1122 . 1 1 146 146 LYS HG3 H 1 1.358 0.02 . 1 . . . . . . . . 7021 1 1123 . 1 1 146 146 LYS HD2 H 1 1.620 0.02 . 1 . . . . . . . . 7021 1 1124 . 1 1 146 146 LYS HD3 H 1 1.620 0.02 . 1 . . . . . . . . 7021 1 1125 . 1 1 146 146 LYS HE2 H 1 2.908 0.02 . 1 . . . . . . . . 7021 1 1126 . 1 1 146 146 LYS HE3 H 1 2.908 0.02 . 1 . . . . . . . . 7021 1 1127 . 1 1 146 146 LYS C C 13 178.013 0.05 . 1 . . . . . . . . 7021 1 1128 . 1 1 146 146 LYS CA C 13 58.559 0.05 . 1 . . . . . . . . 7021 1 1129 . 1 1 146 146 LYS CB C 13 31.800 0.05 . 1 . . . . . . . . 7021 1 1130 . 1 1 146 146 LYS CG C 13 24.600 0.05 . 1 . . . . . . . . 7021 1 1131 . 1 1 146 146 LYS CD C 13 28.268 0.05 . 1 . . . . . . . . 7021 1 1132 . 1 1 146 146 LYS N N 15 117.739 0.05 . 1 . . . . . . . . 7021 1 1133 . 1 1 147 147 THR H H 1 7.508 0.02 . 1 . . . . . . . . 7021 1 1134 . 1 1 147 147 THR HA H 1 4.248 0.02 . 1 . . . . . . . . 7021 1 1135 . 1 1 147 147 THR HB H 1 4.248 0.02 . 1 . . . . . . . . 7021 1 1136 . 1 1 147 147 THR HG21 H 1 1.194 0.02 . 1 . . . . . . . . 7021 1 1137 . 1 1 147 147 THR HG22 H 1 1.194 0.02 . 1 . . . . . . . . 7021 1 1138 . 1 1 147 147 THR HG23 H 1 1.194 0.02 . 1 . . . . . . . . 7021 1 1139 . 1 1 147 147 THR C C 13 176.531 0.05 . 1 . . . . . . . . 7021 1 1140 . 1 1 147 147 THR CA C 13 62.292 0.05 . 1 . . . . . . . . 7021 1 1141 . 1 1 147 147 THR CB C 13 69.954 0.05 . 1 . . . . . . . . 7021 1 1142 . 1 1 147 147 THR CG2 C 13 21.779 0.05 . 1 . . . . . . . . 7021 1 1143 . 1 1 147 147 THR N N 15 107.917 0.05 . 1 . . . . . . . . 7021 1 1144 . 1 1 148 148 GLY H H 1 8.013 0.02 . 1 . . . . . . . . 7021 1 1145 . 1 1 148 148 GLY HA2 H 1 3.676 0.02 . 2 . . . . . . . . 7021 1 1146 . 1 1 148 148 GLY HA3 H 1 4.009 0.02 . 2 . . . . . . . . 7021 1 1147 . 1 1 148 148 GLY C C 13 173.441 0.05 . 1 . . . . . . . . 7021 1 1148 . 1 1 148 148 GLY CA C 13 45.788 0.05 . 1 . . . . . . . . 7021 1 1149 . 1 1 148 148 GLY N N 15 110.421 0.05 . 1 . . . . . . . . 7021 1 1150 . 1 1 149 149 LYS H H 1 7.624 0.02 . 1 . . . . . . . . 7021 1 1151 . 1 1 149 149 LYS CA C 13 53.254 0.05 . 1 . . . . . . . . 7021 1 1152 . 1 1 149 149 LYS CB C 13 33.607 0.05 . 1 . . . . . . . . 7021 1 1153 . 1 1 149 149 LYS N N 15 119.977 0.05 . 1 . . . . . . . . 7021 1 1154 . 1 1 150 150 PRO HA H 1 4.405 0.02 . 1 . . . . . . . . 7021 1 1155 . 1 1 150 150 PRO HB2 H 1 1.556 0.02 . 2 . . . . . . . . 7021 1 1156 . 1 1 150 150 PRO HB3 H 1 1.866 0.02 . 2 . . . . . . . . 7021 1 1157 . 1 1 150 150 PRO HG2 H 1 1.726 0.02 . 1 . . . . . . . . 7021 1 1158 . 1 1 150 150 PRO HG3 H 1 1.726 0.02 . 1 . . . . . . . . 7021 1 1159 . 1 1 150 150 PRO HD2 H 1 3.725 0.02 . 2 . . . . . . . . 7021 1 1160 . 1 1 150 150 PRO HD3 H 1 3.438 0.02 . 2 . . . . . . . . 7021 1 1161 . 1 1 150 150 PRO C C 13 175.292 0.05 . 1 . . . . . . . . 7021 1 1162 . 1 1 150 150 PRO CA C 13 62.527 0.05 . 1 . . . . . . . . 7021 1 1163 . 1 1 150 150 PRO CB C 13 32.413 0.05 . 1 . . . . . . . . 7021 1 1164 . 1 1 150 150 PRO CG C 13 26.428 0.05 . 1 . . . . . . . . 7021 1 1165 . 1 1 150 150 PRO CD C 13 49.944 0.05 . 1 . . . . . . . . 7021 1 1166 . 1 1 151 151 ALA H H 1 8.843 0.02 . 1 . . . . . . . . 7021 1 1167 . 1 1 151 151 ALA HA H 1 4.672 0.02 . 1 . . . . . . . . 7021 1 1168 . 1 1 151 151 ALA HB1 H 1 1.427 0.02 . 1 . . . . . . . . 7021 1 1169 . 1 1 151 151 ALA HB2 H 1 1.427 0.02 . 1 . . . . . . . . 7021 1 1170 . 1 1 151 151 ALA HB3 H 1 1.427 0.02 . 1 . . . . . . . . 7021 1 1171 . 1 1 151 151 ALA C C 13 175.821 0.05 . 1 . . . . . . . . 7021 1 1172 . 1 1 151 151 ALA CA C 13 50.760 0.05 . 1 . . . . . . . . 7021 1 1173 . 1 1 151 151 ALA CB C 13 22.760 0.05 . 1 . . . . . . . . 7021 1 1174 . 1 1 151 151 ALA N N 15 125.249 0.05 . 1 . . . . . . . . 7021 1 1175 . 1 1 152 152 THR H H 1 8.098 0.02 . 1 . . . . . . . . 7021 1 1176 . 1 1 152 152 THR HA H 1 5.465 0.02 . 1 . . . . . . . . 7021 1 1177 . 1 1 152 152 THR HB H 1 3.612 0.02 . 1 . . . . . . . . 7021 1 1178 . 1 1 152 152 THR HG21 H 1 0.885 0.02 . 1 . . . . . . . . 7021 1 1179 . 1 1 152 152 THR HG22 H 1 0.885 0.02 . 1 . . . . . . . . 7021 1 1180 . 1 1 152 152 THR HG23 H 1 0.885 0.02 . 1 . . . . . . . . 7021 1 1181 . 1 1 152 152 THR C C 13 173.939 0.05 . 1 . . . . . . . . 7021 1 1182 . 1 1 152 152 THR CA C 13 60.760 0.05 . 1 . . . . . . . . 7021 1 1183 . 1 1 152 152 THR CB C 13 70.890 0.05 . 1 . . . . . . . . 7021 1 1184 . 1 1 152 152 THR CG2 C 13 21.980 0.05 . 1 . . . . . . . . 7021 1 1185 . 1 1 152 152 THR N N 15 116.875 0.05 . 1 . . . . . . . . 7021 1 1186 . 1 1 153 153 PHE H H 1 8.610 0.02 . 1 . . . . . . . . 7021 1 1187 . 1 1 153 153 PHE HA H 1 4.844 0.02 . 1 . . . . . . . . 7021 1 1188 . 1 1 153 153 PHE HB2 H 1 2.359 0.02 . 2 . . . . . . . . 7021 1 1189 . 1 1 153 153 PHE HB3 H 1 3.023 0.02 . 2 . . . . . . . . 7021 1 1190 . 1 1 153 153 PHE C C 13 174.281 0.05 . 1 . . . . . . . . 7021 1 1191 . 1 1 153 153 PHE CA C 13 55.940 0.05 . 1 . . . . . . . . 7021 1 1192 . 1 1 153 153 PHE CB C 13 42.870 0.05 . 1 . . . . . . . . 7021 1 1193 . 1 1 153 153 PHE N N 15 121.621 0.05 . 1 . . . . . . . . 7021 1 1194 . 1 1 154 154 GLN H H 1 8.951 0.02 . 1 . . . . . . . . 7021 1 1195 . 1 1 154 154 GLN HA H 1 4.844 0.02 . 1 . . . . . . . . 7021 1 1196 . 1 1 154 154 GLN HB2 H 1 1.738 0.02 . 2 . . . . . . . . 7021 1 1197 . 1 1 154 154 GLN HB3 H 1 1.995 0.02 . 2 . . . . . . . . 7021 1 1198 . 1 1 154 154 GLN HG2 H 1 2.245 0.02 . 1 . . . . . . . . 7021 1 1199 . 1 1 154 154 GLN HG3 H 1 2.245 0.02 . 1 . . . . . . . . 7021 1 1200 . 1 1 154 154 GLN C C 13 177.774 0.05 . 1 . . . . . . . . 7021 1 1201 . 1 1 154 154 GLN CA C 13 55.670 0.05 . 1 . . . . . . . . 7021 1 1202 . 1 1 154 154 GLN CB C 13 29.120 0.05 . 1 . . . . . . . . 7021 1 1203 . 1 1 154 154 GLN CG C 13 34.084 0.05 . 1 . . . . . . . . 7021 1 1204 . 1 1 154 154 GLN N N 15 121.892 0.05 . 1 . . . . . . . . 7021 1 1205 . 1 1 155 155 VAL H H 1 8.411 0.02 . 1 . . . . . . . . 7021 1 1206 . 1 1 155 155 VAL HA H 1 3.923 0.02 . 1 . . . . . . . . 7021 1 1207 . 1 1 155 155 VAL HB H 1 1.749 0.02 . 1 . . . . . . . . 7021 1 1208 . 1 1 155 155 VAL HG11 H 1 0.470 0.02 . 2 . . . . . . . . 7021 1 1209 . 1 1 155 155 VAL HG12 H 1 0.470 0.02 . 2 . . . . . . . . 7021 1 1210 . 1 1 155 155 VAL HG13 H 1 0.470 0.02 . 2 . . . . . . . . 7021 1 1211 . 1 1 155 155 VAL HG21 H 1 0.330 0.02 . 2 . . . . . . . . 7021 1 1212 . 1 1 155 155 VAL HG22 H 1 0.330 0.02 . 2 . . . . . . . . 7021 1 1213 . 1 1 155 155 VAL HG23 H 1 0.330 0.02 . 2 . . . . . . . . 7021 1 1214 . 1 1 155 155 VAL C C 13 175.175 0.05 . 1 . . . . . . . . 7021 1 1215 . 1 1 155 155 VAL CA C 13 66.950 0.05 . 1 . . . . . . . . 7021 1 1216 . 1 1 155 155 VAL CB C 13 31.550 0.05 . 1 . . . . . . . . 7021 1 1217 . 1 1 155 155 VAL CG1 C 13 23.146 0.05 . 1 . . . . . . . . 7021 1 1218 . 1 1 155 155 VAL CG2 C 13 19.865 0.05 . 1 . . . . . . . . 7021 1 1219 . 1 1 155 155 VAL N N 15 126.494 0.05 . 1 . . . . . . . . 7021 1 1220 . 1 1 156 156 SER H H 1 7.904 0.02 . 1 . . . . . . . . 7021 1 1221 . 1 1 156 156 SER HA H 1 4.223 0.02 . 1 . . . . . . . . 7021 1 1222 . 1 1 156 156 SER HB2 H 1 3.848 0.02 . 2 . . . . . . . . 7021 1 1223 . 1 1 156 156 SER HB3 H 1 3.976 0.02 . 2 . . . . . . . . 7021 1 1224 . 1 1 156 156 SER C C 13 175.185 0.05 . 1 . . . . . . . . 7021 1 1225 . 1 1 156 156 SER CA C 13 59.230 0.05 . 1 . . . . . . . . 7021 1 1226 . 1 1 156 156 SER CB C 13 63.010 0.05 . 1 . . . . . . . . 7021 1 1227 . 1 1 156 156 SER N N 15 110.550 0.05 . 1 . . . . . . . . 7021 1 1228 . 1 1 157 157 GLN H H 1 7.810 0.02 . 1 . . . . . . . . 7021 1 1229 . 1 1 157 157 GLN HA H 1 4.448 0.02 . 1 . . . . . . . . 7021 1 1230 . 1 1 157 157 GLN HB2 H 1 1.931 0.02 . 2 . . . . . . . . 7021 1 1231 . 1 1 157 157 GLN HB3 H 1 2.295 0.02 . 2 . . . . . . . . 7021 1 1232 . 1 1 157 157 GLN C C 13 175.378 0.05 . 1 . . . . . . . . 7021 1 1233 . 1 1 157 157 GLN CA C 13 55.410 0.05 . 1 . . . . . . . . 7021 1 1234 . 1 1 157 157 GLN CB C 13 29.170 0.05 . 1 . . . . . . . . 7021 1 1235 . 1 1 157 157 GLN N N 15 120.272 0.05 . 1 . . . . . . . . 7021 1 1236 . 1 1 158 158 VAL H H 1 6.452 0.02 . 1 . . . . . . . . 7021 1 1237 . 1 1 158 158 VAL HA H 1 4.158 0.02 . 1 . . . . . . . . 7021 1 1238 . 1 1 158 158 VAL HB H 1 1.577 0.02 . 1 . . . . . . . . 7021 1 1239 . 1 1 158 158 VAL HG11 H 1 0.114 0.02 . 2 . . . . . . . . 7021 1 1240 . 1 1 158 158 VAL HG12 H 1 0.114 0.02 . 2 . . . . . . . . 7021 1 1241 . 1 1 158 158 VAL HG13 H 1 0.114 0.02 . 2 . . . . . . . . 7021 1 1242 . 1 1 158 158 VAL HG21 H 1 0.697 0.02 . 2 . . . . . . . . 7021 1 1243 . 1 1 158 158 VAL HG22 H 1 0.697 0.02 . 2 . . . . . . . . 7021 1 1244 . 1 1 158 158 VAL HG23 H 1 0.697 0.02 . 2 . . . . . . . . 7021 1 1245 . 1 1 158 158 VAL C C 13 174.446 0.05 . 1 . . . . . . . . 7021 1 1246 . 1 1 158 158 VAL CA C 13 59.340 0.05 . 1 . . . . . . . . 7021 1 1247 . 1 1 158 158 VAL CB C 13 33.600 0.05 . 1 . . . . . . . . 7021 1 1248 . 1 1 158 158 VAL CG1 C 13 22.326 0.05 . 1 . . . . . . . . 7021 1 1249 . 1 1 158 158 VAL CG2 C 13 18.771 0.05 . 1 . . . . . . . . 7021 1 1250 . 1 1 158 158 VAL N N 15 111.874 0.05 . 1 . . . . . . . . 7021 1 1251 . 1 1 159 159 ILE H H 1 7.077 0.02 . 1 . . . . . . . . 7021 1 1252 . 1 1 159 159 ILE CA C 13 60.710 0.05 . 1 . . . . . . . . 7021 1 1253 . 1 1 159 159 ILE CB C 13 35.870 0.05 . 1 . . . . . . . . 7021 1 1254 . 1 1 159 159 ILE N N 15 110.988 0.05 . 1 . . . . . . . . 7021 1 1255 . 1 1 160 160 PRO HA H 1 4.244 0.02 . 1 . . . . . . . . 7021 1 1256 . 1 1 160 160 PRO HB2 H 1 2.348 0.02 . 1 . . . . . . . . 7021 1 1257 . 1 1 160 160 PRO HB3 H 1 2.348 0.02 . 1 . . . . . . . . 7021 1 1258 . 1 1 160 160 PRO HG2 H 1 1.961 0.02 . 2 . . . . . . . . 7021 1 1259 . 1 1 160 160 PRO HG3 H 1 2.075 0.02 . 2 . . . . . . . . 7021 1 1260 . 1 1 160 160 PRO C C 13 180.249 0.05 . 1 . . . . . . . . 7021 1 1261 . 1 1 160 160 PRO CA C 13 66.211 0.05 . 1 . . . . . . . . 7021 1 1262 . 1 1 160 160 PRO CB C 13 31.841 0.05 . 1 . . . . . . . . 7021 1 1263 . 1 1 160 160 PRO CG C 13 27.248 0.05 . 1 . . . . . . . . 7021 1 1264 . 1 1 161 161 GLY H H 1 9.463 0.02 . 1 . . . . . . . . 7021 1 1265 . 1 1 161 161 GLY HA2 H 1 3.484 0.02 . 2 . . . . . . . . 7021 1 1266 . 1 1 161 161 GLY HA3 H 1 3.976 0.02 . 2 . . . . . . . . 7021 1 1267 . 1 1 161 161 GLY C C 13 174.983 0.05 . 1 . . . . . . . . 7021 1 1268 . 1 1 161 161 GLY CA C 13 47.655 0.05 . 1 . . . . . . . . 7021 1 1269 . 1 1 161 161 GLY N N 15 103.400 0.05 . 1 . . . . . . . . 7021 1 1270 . 1 1 162 162 TRP H H 1 7.639 0.02 . 1 . . . . . . . . 7021 1 1271 . 1 1 162 162 TRP HA H 1 3.987 0.02 . 1 . . . . . . . . 7021 1 1272 . 1 1 162 162 TRP HB2 H 1 2.734 0.02 . 2 . . . . . . . . 7021 1 1273 . 1 1 162 162 TRP HB3 H 1 3.077 0.02 . 2 . . . . . . . . 7021 1 1274 . 1 1 162 162 TRP C C 13 177.013 0.05 . 1 . . . . . . . . 7021 1 1275 . 1 1 162 162 TRP CA C 13 60.610 0.05 . 1 . . . . . . . . 7021 1 1276 . 1 1 162 162 TRP CB C 13 28.550 0.05 . 1 . . . . . . . . 7021 1 1277 . 1 1 162 162 TRP N N 15 118.991 0.05 . 1 . . . . . . . . 7021 1 1278 . 1 1 163 163 THR H H 1 8.262 0.02 . 1 . . . . . . . . 7021 1 1279 . 1 1 163 163 THR HA H 1 3.891 0.02 . 1 . . . . . . . . 7021 1 1280 . 1 1 163 163 THR HB H 1 3.559 0.02 . 1 . . . . . . . . 7021 1 1281 . 1 1 163 163 THR HG21 H 1 0.998 0.02 . 1 . . . . . . . . 7021 1 1282 . 1 1 163 163 THR HG22 H 1 0.998 0.02 . 1 . . . . . . . . 7021 1 1283 . 1 1 163 163 THR HG23 H 1 0.998 0.02 . 1 . . . . . . . . 7021 1 1284 . 1 1 163 163 THR C C 13 175.956 0.05 . 1 . . . . . . . . 7021 1 1285 . 1 1 163 163 THR CA C 13 67.350 0.05 . 1 . . . . . . . . 7021 1 1286 . 1 1 163 163 THR CB C 13 68.990 0.05 . 1 . . . . . . . . 7021 1 1287 . 1 1 163 163 THR CG2 C 13 22.530 0.05 . 1 . . . . . . . . 7021 1 1288 . 1 1 163 163 THR N N 15 118.518 0.05 . 1 . . . . . . . . 7021 1 1289 . 1 1 164 164 GLU H H 1 7.865 0.02 . 1 . . . . . . . . 7021 1 1290 . 1 1 164 164 GLU HA H 1 3.762 0.02 . 1 . . . . . . . . 7021 1 1291 . 1 1 164 164 GLU HB2 H 1 1.845 0.02 . 1 . . . . . . . . 7021 1 1292 . 1 1 164 164 GLU HB3 H 1 1.845 0.02 . 1 . . . . . . . . 7021 1 1293 . 1 1 164 164 GLU HG2 H 1 1.780 0.02 . 2 . . . . . . . . 7021 1 1294 . 1 1 164 164 GLU HG3 H 1 2.141 0.02 . 2 . . . . . . . . 7021 1 1295 . 1 1 164 164 GLU C C 13 177.961 0.05 . 1 . . . . . . . . 7021 1 1296 . 1 1 164 164 GLU CA C 13 59.200 0.05 . 1 . . . . . . . . 7021 1 1297 . 1 1 164 164 GLU CB C 13 29.140 0.05 . 1 . . . . . . . . 7021 1 1298 . 1 1 164 164 GLU CG C 13 35.930 0.05 . 1 . . . . . . . . 7021 1 1299 . 1 1 164 164 GLU N N 15 118.747 0.05 . 1 . . . . . . . . 7021 1 1300 . 1 1 165 165 ALA H H 1 7.381 0.02 . 1 . . . . . . . . 7021 1 1301 . 1 1 165 165 ALA HA H 1 3.623 0.02 . 1 . . . . . . . . 7021 1 1302 . 1 1 165 165 ALA HB1 H 1 1.200 0.02 . 1 . . . . . . . . 7021 1 1303 . 1 1 165 165 ALA HB2 H 1 1.200 0.02 . 1 . . . . . . . . 7021 1 1304 . 1 1 165 165 ALA HB3 H 1 1.200 0.02 . 1 . . . . . . . . 7021 1 1305 . 1 1 165 165 ALA C C 13 179.230 0.05 . 1 . . . . . . . . 7021 1 1306 . 1 1 165 165 ALA CA C 13 55.300 0.05 . 1 . . . . . . . . 7021 1 1307 . 1 1 165 165 ALA CB C 13 18.720 0.05 . 1 . . . . . . . . 7021 1 1308 . 1 1 165 165 ALA N N 15 118.902 0.05 . 1 . . . . . . . . 7021 1 1309 . 1 1 166 166 LEU H H 1 8.751 0.02 . 1 . . . . . . . . 7021 1 1310 . 1 1 166 166 LEU HA H 1 3.473 0.02 . 1 . . . . . . . . 7021 1 1311 . 1 1 166 166 LEU HB2 H 1 0.817 0.02 . 2 . . . . . . . . 7021 1 1312 . 1 1 166 166 LEU HB3 H 1 1.674 0.02 . 2 . . . . . . . . 7021 1 1313 . 1 1 166 166 LEU HG H 1 1.470 0.02 . 1 . . . . . . . . 7021 1 1314 . 1 1 166 166 LEU HD11 H 1 0.711 0.02 . 2 . . . . . . . . 7021 1 1315 . 1 1 166 166 LEU HD12 H 1 0.711 0.02 . 2 . . . . . . . . 7021 1 1316 . 1 1 166 166 LEU HD13 H 1 0.711 0.02 . 2 . . . . . . . . 7021 1 1317 . 1 1 166 166 LEU HD21 H 1 0.506 0.02 . 2 . . . . . . . . 7021 1 1318 . 1 1 166 166 LEU HD22 H 1 0.506 0.02 . 2 . . . . . . . . 7021 1 1319 . 1 1 166 166 LEU HD23 H 1 0.506 0.02 . 2 . . . . . . . . 7021 1 1320 . 1 1 166 166 LEU C C 13 178.003 0.05 . 1 . . . . . . . . 7021 1 1321 . 1 1 166 166 LEU CA C 13 57.850 0.05 . 1 . . . . . . . . 7021 1 1322 . 1 1 166 166 LEU CB C 13 41.720 0.05 . 1 . . . . . . . . 7021 1 1323 . 1 1 166 166 LEU CG C 13 27.722 0.05 . 1 . . . . . . . . 7021 1 1324 . 1 1 166 166 LEU CD1 C 13 26.628 0.05 . 1 . . . . . . . . 7021 1 1325 . 1 1 166 166 LEU CD2 C 13 26.354 0.05 . 1 . . . . . . . . 7021 1 1326 . 1 1 166 166 LEU N N 15 113.902 0.05 . 1 . . . . . . . . 7021 1 1327 . 1 1 167 167 GLN H H 1 6.242 0.02 . 1 . . . . . . . . 7021 1 1328 . 1 1 167 167 GLN HA H 1 4.212 0.02 . 1 . . . . . . . . 7021 1 1329 . 1 1 167 167 GLN HB2 H 1 1.641 0.02 . 2 . . . . . . . . 7021 1 1330 . 1 1 167 167 GLN HB3 H 1 2.177 0.02 . 2 . . . . . . . . 7021 1 1331 . 1 1 167 167 GLN C C 13 176.326 0.05 . 1 . . . . . . . . 7021 1 1332 . 1 1 167 167 GLN CA C 13 57.478 0.05 . 1 . . . . . . . . 7021 1 1333 . 1 1 167 167 GLN CB C 13 31.446 0.05 . 1 . . . . . . . . 7021 1 1334 . 1 1 167 167 GLN N N 15 109.071 0.05 . 1 . . . . . . . . 7021 1 1335 . 1 1 168 168 LEU H H 1 7.274 0.02 . 1 . . . . . . . . 7021 1 1336 . 1 1 168 168 LEU HA H 1 4.137 0.02 . 1 . . . . . . . . 7021 1 1337 . 1 1 168 168 LEU HB2 H 1 1.556 0.02 . 2 . . . . . . . . 7021 1 1338 . 1 1 168 168 LEU HB3 H 1 1.856 0.02 . 2 . . . . . . . . 7021 1 1339 . 1 1 168 168 LEU HG H 1 1.674 0.02 . 1 . . . . . . . . 7021 1 1340 . 1 1 168 168 LEU HD11 H 1 0.853 0.02 . 2 . . . . . . . . 7021 1 1341 . 1 1 168 168 LEU HD12 H 1 0.853 0.02 . 2 . . . . . . . . 7021 1 1342 . 1 1 168 168 LEU HD13 H 1 0.853 0.02 . 2 . . . . . . . . 7021 1 1343 . 1 1 168 168 LEU HD21 H 1 0.752 0.02 . 2 . . . . . . . . 7021 1 1344 . 1 1 168 168 LEU HD22 H 1 0.752 0.02 . 2 . . . . . . . . 7021 1 1345 . 1 1 168 168 LEU HD23 H 1 0.752 0.02 . 2 . . . . . . . . 7021 1 1346 . 1 1 168 168 LEU C C 13 176.116 0.05 . 1 . . . . . . . . 7021 1 1347 . 1 1 168 168 LEU CA C 13 54.138 0.05 . 1 . . . . . . . . 7021 1 1348 . 1 1 168 168 LEU CB C 13 43.529 0.05 . 1 . . . . . . . . 7021 1 1349 . 1 1 168 168 LEU CD1 C 13 25.607 0.05 . 1 . . . . . . . . 7021 1 1350 . 1 1 168 168 LEU CD2 C 13 21.779 0.05 . 1 . . . . . . . . 7021 1 1351 . 1 1 168 168 LEU N N 15 117.430 0.05 . 1 . . . . . . . . 7021 1 1352 . 1 1 169 169 MET H H 1 6.862 0.02 . 1 . . . . . . . . 7021 1 1353 . 1 1 169 169 MET CA C 13 54.138 0.05 . 1 . . . . . . . . 7021 1 1354 . 1 1 169 169 MET CB C 13 34.884 0.05 . 1 . . . . . . . . 7021 1 1355 . 1 1 169 169 MET N N 15 121.289 0.05 . 1 . . . . . . . . 7021 1 1356 . 1 1 170 170 PRO HA H 1 3.751 0.02 . 1 . . . . . . . . 7021 1 1357 . 1 1 170 170 PRO HB2 H 1 1.160 0.02 . 2 . . . . . . . . 7021 1 1358 . 1 1 170 170 PRO HB3 H 1 2.295 0.02 . 2 . . . . . . . . 7021 1 1359 . 1 1 170 170 PRO HG2 H 1 1.649 0.02 . 2 . . . . . . . . 7021 1 1360 . 1 1 170 170 PRO HG3 H 1 1.961 0.02 . 2 . . . . . . . . 7021 1 1361 . 1 1 170 170 PRO C C 13 180.556 0.05 . 1 . . . . . . . . 7021 1 1362 . 1 1 170 170 PRO CA C 13 61.583 0.05 . 1 . . . . . . . . 7021 1 1363 . 1 1 170 170 PRO CB C 13 32.142 0.05 . 1 . . . . . . . . 7021 1 1364 . 1 1 170 170 PRO CG C 13 27.521 0.05 . 1 . . . . . . . . 7021 1 1365 . 1 1 171 171 ALA H H 1 8.565 0.02 . 1 . . . . . . . . 7021 1 1366 . 1 1 171 171 ALA HA H 1 3.484 0.02 . 1 . . . . . . . . 7021 1 1367 . 1 1 171 171 ALA HB1 H 1 1.192 0.02 . 1 . . . . . . . . 7021 1 1368 . 1 1 171 171 ALA HB2 H 1 1.192 0.02 . 1 . . . . . . . . 7021 1 1369 . 1 1 171 171 ALA HB3 H 1 1.192 0.02 . 1 . . . . . . . . 7021 1 1370 . 1 1 171 171 ALA C C 13 176.340 0.05 . 1 . . . . . . . . 7021 1 1371 . 1 1 171 171 ALA CA C 13 54.728 0.05 . 1 . . . . . . . . 7021 1 1372 . 1 1 171 171 ALA CB C 13 17.005 0.05 . 1 . . . . . . . . 7021 1 1373 . 1 1 171 171 ALA N N 15 129.479 0.05 . 1 . . . . . . . . 7021 1 1374 . 1 1 172 172 GLY H H 1 8.348 0.02 . 1 . . . . . . . . 7021 1 1375 . 1 1 172 172 GLY HA2 H 1 3.880 0.02 . 2 . . . . . . . . 7021 1 1376 . 1 1 172 172 GLY HA3 H 1 4.555 0.02 . 2 . . . . . . . . 7021 1 1377 . 1 1 172 172 GLY C C 13 175.685 0.05 . 1 . . . . . . . . 7021 1 1378 . 1 1 172 172 GLY CA C 13 45.300 0.05 . 1 . . . . . . . . 7021 1 1379 . 1 1 172 172 GLY N N 15 110.052 0.05 . 1 . . . . . . . . 7021 1 1380 . 1 1 173 173 SER H H 1 7.764 0.02 . 1 . . . . . . . . 7021 1 1381 . 1 1 173 173 SER HA H 1 4.597 0.02 . 1 . . . . . . . . 7021 1 1382 . 1 1 173 173 SER HB2 H 1 3.398 0.02 . 2 . . . . . . . . 7021 1 1383 . 1 1 173 173 SER HB3 H 1 4.008 0.02 . 2 . . . . . . . . 7021 1 1384 . 1 1 173 173 SER C C 13 173.389 0.05 . 1 . . . . . . . . 7021 1 1385 . 1 1 173 173 SER CA C 13 59.230 0.05 . 1 . . . . . . . . 7021 1 1386 . 1 1 173 173 SER CB C 13 64.520 0.05 . 1 . . . . . . . . 7021 1 1387 . 1 1 173 173 SER N N 15 116.790 0.05 . 1 . . . . . . . . 7021 1 1388 . 1 1 174 174 THR H H 1 9.316 0.02 . 1 . . . . . . . . 7021 1 1389 . 1 1 174 174 THR HA H 1 5.669 0.02 . 1 . . . . . . . . 7021 1 1390 . 1 1 174 174 THR HB H 1 3.880 0.02 . 1 . . . . . . . . 7021 1 1391 . 1 1 174 174 THR HG21 H 1 0.924 0.02 . 1 . . . . . . . . 7021 1 1392 . 1 1 174 174 THR HG22 H 1 0.924 0.02 . 1 . . . . . . . . 7021 1 1393 . 1 1 174 174 THR HG23 H 1 0.924 0.02 . 1 . . . . . . . . 7021 1 1394 . 1 1 174 174 THR C C 13 173.508 0.05 . 1 . . . . . . . . 7021 1 1395 . 1 1 174 174 THR CA C 13 62.250 0.05 . 1 . . . . . . . . 7021 1 1396 . 1 1 174 174 THR CB C 13 69.980 0.05 . 1 . . . . . . . . 7021 1 1397 . 1 1 174 174 THR CG2 C 13 20.412 0.05 . 1 . . . . . . . . 7021 1 1398 . 1 1 174 174 THR N N 15 119.011 0.05 . 1 . . . . . . . . 7021 1 1399 . 1 1 175 175 TRP H H 1 9.211 0.02 . 1 . . . . . . . . 7021 1 1400 . 1 1 175 175 TRP HA H 1 5.529 0.02 . 1 . . . . . . . . 7021 1 1401 . 1 1 175 175 TRP HB2 H 1 2.852 0.02 . 2 . . . . . . . . 7021 1 1402 . 1 1 175 175 TRP HB3 H 1 3.130 0.02 . 2 . . . . . . . . 7021 1 1403 . 1 1 175 175 TRP C C 13 174.393 0.05 . 1 . . . . . . . . 7021 1 1404 . 1 1 175 175 TRP CA C 13 54.350 0.05 . 1 . . . . . . . . 7021 1 1405 . 1 1 175 175 TRP CB C 13 34.360 0.05 . 1 . . . . . . . . 7021 1 1406 . 1 1 175 175 TRP N N 15 129.527 0.05 . 1 . . . . . . . . 7021 1 1407 . 1 1 176 176 GLU H H 1 9.309 0.02 . 1 . . . . . . . . 7021 1 1408 . 1 1 176 176 GLU HA H 1 5.411 0.02 . 1 . . . . . . . . 7021 1 1409 . 1 1 176 176 GLU HB2 H 1 1.631 0.02 . 2 . . . . . . . . 7021 1 1410 . 1 1 176 176 GLU HB3 H 1 1.984 0.02 . 2 . . . . . . . . 7021 1 1411 . 1 1 176 176 GLU HG2 H 1 1.541 0.02 . 2 . . . . . . . . 7021 1 1412 . 1 1 176 176 GLU HG3 H 1 1.813 0.02 . 2 . . . . . . . . 7021 1 1413 . 1 1 176 176 GLU C C 13 174.433 0.05 . 1 . . . . . . . . 7021 1 1414 . 1 1 176 176 GLU CA C 13 55.808 0.05 . 1 . . . . . . . . 7021 1 1415 . 1 1 176 176 GLU CB C 13 32.770 0.05 . 1 . . . . . . . . 7021 1 1416 . 1 1 176 176 GLU CG C 13 37.910 0.05 . 1 . . . . . . . . 7021 1 1417 . 1 1 176 176 GLU N N 15 123.137 0.05 . 1 . . . . . . . . 7021 1 1418 . 1 1 177 177 ILE H H 1 9.300 0.02 . 1 . . . . . . . . 7021 1 1419 . 1 1 177 177 ILE HA H 1 5.133 0.02 . 1 . . . . . . . . 7021 1 1420 . 1 1 177 177 ILE HB H 1 1.802 0.02 . 1 . . . . . . . . 7021 1 1421 . 1 1 177 177 ILE HG12 H 1 1.541 0.02 . 1 . . . . . . . . 7021 1 1422 . 1 1 177 177 ILE HG13 H 1 1.541 0.02 . 1 . . . . . . . . 7021 1 1423 . 1 1 177 177 ILE HG21 H 1 0.925 0.02 . 1 . . . . . . . . 7021 1 1424 . 1 1 177 177 ILE HG22 H 1 0.925 0.02 . 1 . . . . . . . . 7021 1 1425 . 1 1 177 177 ILE HG23 H 1 0.925 0.02 . 1 . . . . . . . . 7021 1 1426 . 1 1 177 177 ILE HD11 H 1 0.396 0.02 . 1 . . . . . . . . 7021 1 1427 . 1 1 177 177 ILE HD12 H 1 0.396 0.02 . 1 . . . . . . . . 7021 1 1428 . 1 1 177 177 ILE HD13 H 1 0.396 0.02 . 1 . . . . . . . . 7021 1 1429 . 1 1 177 177 ILE C C 13 172.986 0.05 . 1 . . . . . . . . 7021 1 1430 . 1 1 177 177 ILE CA C 13 59.093 0.05 . 1 . . . . . . . . 7021 1 1431 . 1 1 177 177 ILE CB C 13 40.851 0.05 . 1 . . . . . . . . 7021 1 1432 . 1 1 177 177 ILE CG1 C 13 26.701 0.05 . 1 . . . . . . . . 7021 1 1433 . 1 1 177 177 ILE CG2 C 13 17.404 0.05 . 1 . . . . . . . . 7021 1 1434 . 1 1 177 177 ILE CD1 C 13 13.849 0.05 . 1 . . . . . . . . 7021 1 1435 . 1 1 177 177 ILE N N 15 119.212 0.05 . 1 . . . . . . . . 7021 1 1436 . 1 1 178 178 TYR H H 1 9.034 0.02 . 1 . . . . . . . . 7021 1 1437 . 1 1 178 178 TYR HA H 1 5.004 0.02 . 1 . . . . . . . . 7021 1 1438 . 1 1 178 178 TYR HB2 H 1 2.648 0.02 . 2 . . . . . . . . 7021 1 1439 . 1 1 178 178 TYR HB3 H 1 3.066 0.02 . 2 . . . . . . . . 7021 1 1440 . 1 1 178 178 TYR C C 13 174.317 0.05 . 1 . . . . . . . . 7021 1 1441 . 1 1 178 178 TYR CA C 13 55.808 0.05 . 1 . . . . . . . . 7021 1 1442 . 1 1 178 178 TYR CB C 13 37.939 0.05 . 1 . . . . . . . . 7021 1 1443 . 1 1 178 178 TYR N N 15 124.949 0.05 . 1 . . . . . . . . 7021 1 1444 . 1 1 179 179 VAL H H 1 9.696 0.02 . 1 . . . . . . . . 7021 1 1445 . 1 1 179 179 VAL CA C 13 60.032 0.05 . 1 . . . . . . . . 7021 1 1446 . 1 1 179 179 VAL CB C 13 33.705 0.05 . 1 . . . . . . . . 7021 1 1447 . 1 1 179 179 VAL N N 15 124.155 0.05 . 1 . . . . . . . . 7021 1 1448 . 1 1 180 180 PRO HA H 1 4.544 0.02 . 1 . . . . . . . . 7021 1 1449 . 1 1 180 180 PRO HB2 H 1 1.834 0.02 . 2 . . . . . . . . 7021 1 1450 . 1 1 180 180 PRO HB3 H 1 2.390 0.02 . 2 . . . . . . . . 7021 1 1451 . 1 1 180 180 PRO HG2 H 1 1.913 0.02 . 1 . . . . . . . . 7021 1 1452 . 1 1 180 180 PRO HG3 H 1 1.913 0.02 . 1 . . . . . . . . 7021 1 1453 . 1 1 180 180 PRO HD2 H 1 3.602 0.02 . 2 . . . . . . . . 7021 1 1454 . 1 1 180 180 PRO HD3 H 1 4.440 0.02 . 2 . . . . . . . . 7021 1 1455 . 1 1 180 180 PRO C C 13 178.387 0.05 . 1 . . . . . . . . 7021 1 1456 . 1 1 180 180 PRO CA C 13 62.141 0.05 . 1 . . . . . . . . 7021 1 1457 . 1 1 180 180 PRO CB C 13 32.172 0.05 . 1 . . . . . . . . 7021 1 1458 . 1 1 180 180 PRO CG C 13 27.248 0.05 . 1 . . . . . . . . 7021 1 1459 . 1 1 180 180 PRO CD C 13 51.311 0.05 . 1 . . . . . . . . 7021 1 1460 . 1 1 181 181 SER H H 1 8.405 0.02 . 1 . . . . . . . . 7021 1 1461 . 1 1 181 181 SER C C 13 178.575 0.05 . 1 . . . . . . . . 7021 1 1462 . 1 1 181 181 SER CA C 13 62.082 0.05 . 1 . . . . . . . . 7021 1 1463 . 1 1 181 181 SER CB C 13 61.266 0.05 . 1 . . . . . . . . 7021 1 1464 . 1 1 181 181 SER N N 15 118.973 0.05 . 1 . . . . . . . . 7021 1 1465 . 1 1 182 182 GLY H H 1 8.824 0.02 . 1 . . . . . . . . 7021 1 1466 . 1 1 182 182 GLY HA2 H 1 3.816 0.02 . 1 . . . . . . . . 7021 1 1467 . 1 1 182 182 GLY HA3 H 1 3.816 0.02 . 1 . . . . . . . . 7021 1 1468 . 1 1 182 182 GLY C C 13 175.243 0.05 . 1 . . . . . . . . 7021 1 1469 . 1 1 182 182 GLY CA C 13 46.412 0.05 . 1 . . . . . . . . 7021 1 1470 . 1 1 182 182 GLY N N 15 111.060 0.05 . 1 . . . . . . . . 7021 1 1471 . 1 1 183 183 LEU H H 1 7.892 0.02 . 1 . . . . . . . . 7021 1 1472 . 1 1 183 183 LEU HA H 1 4.448 0.02 . 1 . . . . . . . . 7021 1 1473 . 1 1 183 183 LEU HB2 H 1 1.417 0.02 . 2 . . . . . . . . 7021 1 1474 . 1 1 183 183 LEU HB3 H 1 1.567 0.02 . 2 . . . . . . . . 7021 1 1475 . 1 1 183 183 LEU HD11 H 1 0.825 0.02 . 2 . . . . . . . . 7021 1 1476 . 1 1 183 183 LEU HD12 H 1 0.825 0.02 . 2 . . . . . . . . 7021 1 1477 . 1 1 183 183 LEU HD13 H 1 0.825 0.02 . 2 . . . . . . . . 7021 1 1478 . 1 1 183 183 LEU C C 13 174.454 0.05 . 1 . . . . . . . . 7021 1 1479 . 1 1 183 183 LEU CA C 13 53.647 0.05 . 1 . . . . . . . . 7021 1 1480 . 1 1 183 183 LEU CB C 13 42.055 0.05 . 1 . . . . . . . . 7021 1 1481 . 1 1 183 183 LEU N N 15 119.591 0.05 . 1 . . . . . . . . 7021 1 1482 . 1 1 184 184 ALA H H 1 7.688 0.02 . 1 . . . . . . . . 7021 1 1483 . 1 1 184 184 ALA C C 13 175.365 0.05 . 1 . . . . . . . . 7021 1 1484 . 1 1 184 184 ALA CA C 13 50.995 0.05 . 1 . . . . . . . . 7021 1 1485 . 1 1 184 184 ALA CB C 13 18.577 0.05 . 1 . . . . . . . . 7021 1 1486 . 1 1 184 184 ALA N N 15 126.460 0.05 . 1 . . . . . . . . 7021 1 1487 . 1 1 185 185 TYR H H 1 9.140 0.02 . 1 . . . . . . . . 7021 1 1488 . 1 1 185 185 TYR HA H 1 4.470 0.02 . 1 . . . . . . . . 7021 1 1489 . 1 1 185 185 TYR HB2 H 1 2.743 0.02 . 2 . . . . . . . . 7021 1 1490 . 1 1 185 185 TYR HB3 H 1 3.044 0.02 . 2 . . . . . . . . 7021 1 1491 . 1 1 185 185 TYR C C 13 176.391 0.05 . 1 . . . . . . . . 7021 1 1492 . 1 1 185 185 TYR CA C 13 58.657 0.05 . 1 . . . . . . . . 7021 1 1493 . 1 1 185 185 TYR CB C 13 38.028 0.05 . 1 . . . . . . . . 7021 1 1494 . 1 1 185 185 TYR N N 15 122.530 0.05 . 1 . . . . . . . . 7021 1 1495 . 1 1 186 186 GLY H H 1 8.339 0.02 . 1 . . . . . . . . 7021 1 1496 . 1 1 186 186 GLY CA C 13 45.170 0.05 . 1 . . . . . . . . 7021 1 1497 . 1 1 186 186 GLY N N 15 110.340 0.05 . 1 . . . . . . . . 7021 1 1498 . 1 1 187 187 PRO HA H 1 4.298 0.02 . 1 . . . . . . . . 7021 1 1499 . 1 1 187 187 PRO HB2 H 1 2.016 0.02 . 2 . . . . . . . . 7021 1 1500 . 1 1 187 187 PRO HB3 H 1 2.156 0.02 . 2 . . . . . . . . 7021 1 1501 . 1 1 187 187 PRO HD2 H 1 3.703 0.02 . 2 . . . . . . . . 7021 1 1502 . 1 1 187 187 PRO HD3 H 1 3.559 0.02 . 2 . . . . . . . . 7021 1 1503 . 1 1 187 187 PRO C C 13 175.103 0.05 . 1 . . . . . . . . 7021 1 1504 . 1 1 187 187 PRO CA C 13 63.691 0.05 . 1 . . . . . . . . 7021 1 1505 . 1 1 187 187 PRO CB C 13 30.565 0.05 . 1 . . . . . . . . 7021 1 1506 . 1 1 187 187 PRO CD C 13 49.944 0.05 . 1 . . . . . . . . 7021 1 1507 . 1 1 188 188 ARG H H 1 7.470 0.02 . 1 . . . . . . . . 7021 1 1508 . 1 1 188 188 ARG HA H 1 4.158 0.02 . 1 . . . . . . . . 7021 1 1509 . 1 1 188 188 ARG HB2 H 1 1.706 0.02 . 1 . . . . . . . . 7021 1 1510 . 1 1 188 188 ARG HB3 H 1 1.706 0.02 . 1 . . . . . . . . 7021 1 1511 . 1 1 188 188 ARG HG2 H 1 1.541 0.02 . 2 . . . . . . . . 7021 1 1512 . 1 1 188 188 ARG HG3 H 1 1.431 0.02 . 2 . . . . . . . . 7021 1 1513 . 1 1 188 188 ARG HD2 H 1 3.101 0.02 . 1 . . . . . . . . 7021 1 1514 . 1 1 188 188 ARG HD3 H 1 3.101 0.02 . 1 . . . . . . . . 7021 1 1515 . 1 1 188 188 ARG C C 13 174.807 0.05 . 1 . . . . . . . . 7021 1 1516 . 1 1 188 188 ARG CA C 13 55.710 0.05 . 1 . . . . . . . . 7021 1 1517 . 1 1 188 188 ARG CB C 13 31.642 0.05 . 1 . . . . . . . . 7021 1 1518 . 1 1 188 188 ARG CG C 13 26.701 0.05 . 1 . . . . . . . . 7021 1 1519 . 1 1 188 188 ARG CD C 13 43.108 0.05 . 1 . . . . . . . . 7021 1 1520 . 1 1 188 188 ARG N N 15 120.235 0.05 . 1 . . . . . . . . 7021 1 1521 . 1 1 189 189 SER H H 1 8.091 0.02 . 1 . . . . . . . . 7021 1 1522 . 1 1 189 189 SER HA H 1 4.244 0.02 . 1 . . . . . . . . 7021 1 1523 . 1 1 189 189 SER HB2 H 1 3.591 0.02 . 2 . . . . . . . . 7021 1 1524 . 1 1 189 189 SER HB3 H 1 3.655 0.02 . 2 . . . . . . . . 7021 1 1525 . 1 1 189 189 SER C C 13 174.965 0.05 . 1 . . . . . . . . 7021 1 1526 . 1 1 189 189 SER CA C 13 57.202 0.05 . 1 . . . . . . . . 7021 1 1527 . 1 1 189 189 SER CB C 13 63.431 0.05 . 1 . . . . . . . . 7021 1 1528 . 1 1 189 189 SER N N 15 116.225 0.05 . 1 . . . . . . . . 7021 1 1529 . 1 1 190 190 VAL H H 1 7.521 0.02 . 1 . . . . . . . . 7021 1 1530 . 1 1 190 190 VAL HA H 1 3.955 0.02 . 1 . . . . . . . . 7021 1 1531 . 1 1 190 190 VAL HB H 1 1.743 0.02 . 1 . . . . . . . . 7021 1 1532 . 1 1 190 190 VAL HG11 H 1 0.467 0.02 . 2 . . . . . . . . 7021 1 1533 . 1 1 190 190 VAL HG12 H 1 0.467 0.02 . 2 . . . . . . . . 7021 1 1534 . 1 1 190 190 VAL HG13 H 1 0.467 0.02 . 2 . . . . . . . . 7021 1 1535 . 1 1 190 190 VAL HG21 H 1 0.339 0.02 . 2 . . . . . . . . 7021 1 1536 . 1 1 190 190 VAL HG22 H 1 0.339 0.02 . 2 . . . . . . . . 7021 1 1537 . 1 1 190 190 VAL HG23 H 1 0.339 0.02 . 2 . . . . . . . . 7021 1 1538 . 1 1 190 190 VAL C C 13 175.856 0.05 . 1 . . . . . . . . 7021 1 1539 . 1 1 190 190 VAL CA C 13 62.390 0.05 . 1 . . . . . . . . 7021 1 1540 . 1 1 190 190 VAL CB C 13 32.232 0.05 . 1 . . . . . . . . 7021 1 1541 . 1 1 190 190 VAL CG1 C 13 20.412 0.05 . 1 . . . . . . . . 7021 1 1542 . 1 1 190 190 VAL CG2 C 13 19.592 0.05 . 1 . . . . . . . . 7021 1 1543 . 1 1 190 190 VAL N N 15 121.987 0.05 . 1 . . . . . . . . 7021 1 1544 . 1 1 191 191 GLY H H 1 7.826 0.02 . 1 . . . . . . . . 7021 1 1545 . 1 1 191 191 GLY HA2 H 1 3.682 0.02 . 2 . . . . . . . . 7021 1 1546 . 1 1 191 191 GLY HA3 H 1 4.229 0.02 . 2 . . . . . . . . 7021 1 1547 . 1 1 191 191 GLY C C 13 174.181 0.05 . 1 . . . . . . . . 7021 1 1548 . 1 1 191 191 GLY CA C 13 44.511 0.05 . 1 . . . . . . . . 7021 1 1549 . 1 1 191 191 GLY N N 15 110.386 0.05 . 1 . . . . . . . . 7021 1 1550 . 1 1 192 192 GLY H H 1 8.380 0.02 . 1 . . . . . . . . 7021 1 1551 . 1 1 192 192 GLY CA C 13 44.708 0.05 . 1 . . . . . . . . 7021 1 1552 . 1 1 192 192 GLY N N 15 110.751 0.05 . 1 . . . . . . . . 7021 1 1553 . 1 1 193 193 PRO HA H 1 4.330 0.02 . 1 . . . . . . . . 7021 1 1554 . 1 1 193 193 PRO HB2 H 1 1.781 0.02 . 2 . . . . . . . . 7021 1 1555 . 1 1 193 193 PRO HB3 H 1 2.188 0.02 . 2 . . . . . . . . 7021 1 1556 . 1 1 193 193 PRO HG2 H 1 1.743 0.02 . 1 . . . . . . . . 7021 1 1557 . 1 1 193 193 PRO HG3 H 1 1.743 0.02 . 1 . . . . . . . . 7021 1 1558 . 1 1 193 193 PRO HD2 H 1 3.703 0.02 . 1 . . . . . . . . 7021 1 1559 . 1 1 193 193 PRO HD3 H 1 3.703 0.02 . 1 . . . . . . . . 7021 1 1560 . 1 1 193 193 PRO C C 13 175.610 0.05 . 1 . . . . . . . . 7021 1 1561 . 1 1 193 193 PRO CA C 13 63.708 0.05 . 1 . . . . . . . . 7021 1 1562 . 1 1 193 193 PRO CB C 13 32.270 0.05 . 1 . . . . . . . . 7021 1 1563 . 1 1 193 193 PRO CG C 13 26.154 0.05 . 1 . . . . . . . . 7021 1 1564 . 1 1 193 193 PRO CD C 13 49.944 0.05 . 1 . . . . . . . . 7021 1 1565 . 1 1 194 194 ILE H H 1 7.143 0.02 . 1 . . . . . . . . 7021 1 1566 . 1 1 194 194 ILE HA H 1 3.630 0.02 . 1 . . . . . . . . 7021 1 1567 . 1 1 194 194 ILE HB H 1 1.481 0.02 . 1 . . . . . . . . 7021 1 1568 . 1 1 194 194 ILE HG12 H 1 0.081 0.02 . 1 . . . . . . . . 7021 1 1569 . 1 1 194 194 ILE HG13 H 1 0.911 0.02 . 1 . . . . . . . . 7021 1 1570 . 1 1 194 194 ILE HG21 H 1 0.682 0.02 . 1 . . . . . . . . 7021 1 1571 . 1 1 194 194 ILE HG22 H 1 0.682 0.02 . 1 . . . . . . . . 7021 1 1572 . 1 1 194 194 ILE HG23 H 1 0.682 0.02 . 1 . . . . . . . . 7021 1 1573 . 1 1 194 194 ILE HD11 H 1 -0.062 0.02 . 1 . . . . . . . . 7021 1 1574 . 1 1 194 194 ILE HD12 H 1 -0.062 0.02 . 1 . . . . . . . . 7021 1 1575 . 1 1 194 194 ILE HD13 H 1 -0.062 0.02 . 1 . . . . . . . . 7021 1 1576 . 1 1 194 194 ILE C C 13 175.923 0.05 . 1 . . . . . . . . 7021 1 1577 . 1 1 194 194 ILE CA C 13 61.604 0.05 . 1 . . . . . . . . 7021 1 1578 . 1 1 194 194 ILE CB C 13 37.438 0.05 . 1 . . . . . . . . 7021 1 1579 . 1 1 194 194 ILE CG1 C 13 26.701 0.05 . 1 . . . . . . . . 7021 1 1580 . 1 1 194 194 ILE CG2 C 13 17.951 0.05 . 1 . . . . . . . . 7021 1 1581 . 1 1 194 194 ILE CD1 C 13 12.208 0.05 . 1 . . . . . . . . 7021 1 1582 . 1 1 194 194 ILE N N 15 117.990 0.05 . 1 . . . . . . . . 7021 1 1583 . 1 1 195 195 GLY H H 1 8.995 0.02 . 1 . . . . . . . . 7021 1 1584 . 1 1 195 195 GLY CA C 13 44.020 0.05 . 1 . . . . . . . . 7021 1 1585 . 1 1 195 195 GLY N N 15 119.167 0.05 . 1 . . . . . . . . 7021 1 1586 . 1 1 196 196 PRO HA H 1 4.128 0.02 . 1 . . . . . . . . 7021 1 1587 . 1 1 196 196 PRO HB2 H 1 2.017 0.02 . 2 . . . . . . . . 7021 1 1588 . 1 1 196 196 PRO HB3 H 1 1.520 0.02 . 2 . . . . . . . . 7021 1 1589 . 1 1 196 196 PRO HG2 H 1 1.770 0.02 . 2 . . . . . . . . 7021 1 1590 . 1 1 196 196 PRO HD2 H 1 3.316 0.02 . 2 . . . . . . . . 7021 1 1591 . 1 1 196 196 PRO HD3 H 1 3.431 0.02 . 2 . . . . . . . . 7021 1 1592 . 1 1 196 196 PRO C C 13 176.669 0.05 . 1 . . . . . . . . 7021 1 1593 . 1 1 196 196 PRO CA C 13 62.435 0.05 . 1 . . . . . . . . 7021 1 1594 . 1 1 196 196 PRO CB C 13 32.270 0.05 . 1 . . . . . . . . 7021 1 1595 . 1 1 196 196 PRO CG C 13 26.428 0.05 . 1 . . . . . . . . 7021 1 1596 . 1 1 196 196 PRO CD C 13 48.850 0.05 . 1 . . . . . . . . 7021 1 1597 . 1 1 197 197 ASN H H 1 8.468 0.02 . 1 . . . . . . . . 7021 1 1598 . 1 1 197 197 ASN HA H 1 3.947 0.02 . 1 . . . . . . . . 7021 1 1599 . 1 1 197 197 ASN HB2 H 1 2.689 0.02 . 2 . . . . . . . . 7021 1 1600 . 1 1 197 197 ASN HB3 H 1 2.991 0.02 . 2 . . . . . . . . 7021 1 1601 . 1 1 197 197 ASN C C 13 173.615 0.05 . 1 . . . . . . . . 7021 1 1602 . 1 1 197 197 ASN CA C 13 53.843 0.05 . 1 . . . . . . . . 7021 1 1603 . 1 1 197 197 ASN CB C 13 36.652 0.05 . 1 . . . . . . . . 7021 1 1604 . 1 1 197 197 ASN N N 15 115.890 0.05 . 1 . . . . . . . . 7021 1 1605 . 1 1 198 198 GLU H H 1 8.017 0.02 . 1 . . . . . . . . 7021 1 1606 . 1 1 198 198 GLU HA H 1 4.370 0.02 . 1 . . . . . . . . 7021 1 1607 . 1 1 198 198 GLU HB2 H 1 1.800 0.02 . 1 . . . . . . . . 7021 1 1608 . 1 1 198 198 GLU HB3 H 1 1.800 0.02 . 1 . . . . . . . . 7021 1 1609 . 1 1 198 198 GLU HG2 H 1 1.803 0.02 . 2 . . . . . . . . 7021 1 1610 . 1 1 198 198 GLU HG3 H 1 1.956 0.02 . 2 . . . . . . . . 7021 1 1611 . 1 1 198 198 GLU C C 13 176.686 0.05 . 1 . . . . . . . . 7021 1 1612 . 1 1 198 198 GLU CA C 13 56.692 0.05 . 1 . . . . . . . . 7021 1 1613 . 1 1 198 198 GLU CB C 13 30.562 0.05 . 1 . . . . . . . . 7021 1 1614 . 1 1 198 198 GLU CG C 13 35.725 0.05 . 1 . . . . . . . . 7021 1 1615 . 1 1 198 198 GLU N N 15 119.785 0.05 . 1 . . . . . . . . 7021 1 1616 . 1 1 199 199 THR H H 1 8.742 0.02 . 1 . . . . . . . . 7021 1 1617 . 1 1 199 199 THR HA H 1 4.448 0.02 . 1 . . . . . . . . 7021 1 1618 . 1 1 199 199 THR HB H 1 3.933 0.02 . 1 . . . . . . . . 7021 1 1619 . 1 1 199 199 THR HG21 H 1 0.983 0.02 . 1 . . . . . . . . 7021 1 1620 . 1 1 199 199 THR HG22 H 1 0.983 0.02 . 1 . . . . . . . . 7021 1 1621 . 1 1 199 199 THR HG23 H 1 0.983 0.02 . 1 . . . . . . . . 7021 1 1622 . 1 1 199 199 THR C C 13 173.282 0.05 . 1 . . . . . . . . 7021 1 1623 . 1 1 199 199 THR CA C 13 64.256 0.05 . 1 . . . . . . . . 7021 1 1624 . 1 1 199 199 THR CB C 13 69.757 0.05 . 1 . . . . . . . . 7021 1 1625 . 1 1 199 199 THR CG2 C 13 20.139 0.05 . 1 . . . . . . . . 7021 1 1626 . 1 1 199 199 THR N N 15 126.954 0.05 . 1 . . . . . . . . 7021 1 1627 . 1 1 200 200 LEU H H 1 8.205 0.02 . 1 . . . . . . . . 7021 1 1628 . 1 1 200 200 LEU HA H 1 4.897 0.02 . 1 . . . . . . . . 7021 1 1629 . 1 1 200 200 LEU HB2 H 1 1.138 0.02 . 2 . . . . . . . . 7021 1 1630 . 1 1 200 200 LEU HB3 H 1 1.577 0.02 . 2 . . . . . . . . 7021 1 1631 . 1 1 200 200 LEU HG H 1 1.684 0.02 . 1 . . . . . . . . 7021 1 1632 . 1 1 200 200 LEU HD11 H 1 0.983 0.02 . 2 . . . . . . . . 7021 1 1633 . 1 1 200 200 LEU HD12 H 1 0.983 0.02 . 2 . . . . . . . . 7021 1 1634 . 1 1 200 200 LEU HD13 H 1 0.983 0.02 . 2 . . . . . . . . 7021 1 1635 . 1 1 200 200 LEU HD21 H 1 0.424 0.02 . 2 . . . . . . . . 7021 1 1636 . 1 1 200 200 LEU HD22 H 1 0.424 0.02 . 2 . . . . . . . . 7021 1 1637 . 1 1 200 200 LEU HD23 H 1 0.424 0.02 . 2 . . . . . . . . 7021 1 1638 . 1 1 200 200 LEU C C 13 177.959 0.05 . 1 . . . . . . . . 7021 1 1639 . 1 1 200 200 LEU CA C 13 53.160 0.05 . 1 . . . . . . . . 7021 1 1640 . 1 1 200 200 LEU CB C 13 46.590 0.05 . 1 . . . . . . . . 7021 1 1641 . 1 1 200 200 LEU CG C 13 26.428 0.05 . 1 . . . . . . . . 7021 1 1642 . 1 1 200 200 LEU CD1 C 13 26.428 0.05 . 1 . . . . . . . . 7021 1 1643 . 1 1 200 200 LEU CD2 C 13 22.600 0.05 . 1 . . . . . . . . 7021 1 1644 . 1 1 200 200 LEU N N 15 124.122 0.05 . 1 . . . . . . . . 7021 1 1645 . 1 1 201 201 ILE H H 1 8.420 0.02 . 1 . . . . . . . . 7021 1 1646 . 1 1 201 201 ILE HA H 1 4.994 0.02 . 1 . . . . . . . . 7021 1 1647 . 1 1 201 201 ILE HB H 1 1.406 0.02 . 1 . . . . . . . . 7021 1 1648 . 1 1 201 201 ILE HG12 H 1 0.940 0.02 . 1 . . . . . . . . 7021 1 1649 . 1 1 201 201 ILE HG13 H 1 1.269 0.02 . 1 . . . . . . . . 7021 1 1650 . 1 1 201 201 ILE HG21 H 1 0.596 0.02 . 1 . . . . . . . . 7021 1 1651 . 1 1 201 201 ILE HG22 H 1 0.596 0.02 . 1 . . . . . . . . 7021 1 1652 . 1 1 201 201 ILE HG23 H 1 0.596 0.02 . 1 . . . . . . . . 7021 1 1653 . 1 1 201 201 ILE HD11 H 1 0.453 0.02 . 1 . . . . . . . . 7021 1 1654 . 1 1 201 201 ILE HD12 H 1 0.453 0.02 . 1 . . . . . . . . 7021 1 1655 . 1 1 201 201 ILE HD13 H 1 0.453 0.02 . 1 . . . . . . . . 7021 1 1656 . 1 1 201 201 ILE C C 13 175.687 0.05 . 1 . . . . . . . . 7021 1 1657 . 1 1 201 201 ILE CA C 13 60.330 0.05 . 1 . . . . . . . . 7021 1 1658 . 1 1 201 201 ILE CB C 13 40.100 0.05 . 1 . . . . . . . . 7021 1 1659 . 1 1 201 201 ILE CG1 C 13 28.068 0.05 . 1 . . . . . . . . 7021 1 1660 . 1 1 201 201 ILE CG2 C 13 17.404 0.05 . 1 . . . . . . . . 7021 1 1661 . 1 1 201 201 ILE CD1 C 13 14.943 0.05 . 1 . . . . . . . . 7021 1 1662 . 1 1 201 201 ILE N N 15 121.386 0.05 . 1 . . . . . . . . 7021 1 1663 . 1 1 202 202 PHE H H 1 9.129 0.02 . 1 . . . . . . . . 7021 1 1664 . 1 1 202 202 PHE HA H 1 5.872 0.02 . 1 . . . . . . . . 7021 1 1665 . 1 1 202 202 PHE HB2 H 1 2.615 0.02 . 2 . . . . . . . . 7021 1 1666 . 1 1 202 202 PHE HB3 H 1 2.672 0.02 . 2 . . . . . . . . 7021 1 1667 . 1 1 202 202 PHE C C 13 174.630 0.05 . 1 . . . . . . . . 7021 1 1668 . 1 1 202 202 PHE CA C 13 55.200 0.05 . 1 . . . . . . . . 7021 1 1669 . 1 1 202 202 PHE CB C 13 42.670 0.05 . 1 . . . . . . . . 7021 1 1670 . 1 1 202 202 PHE N N 15 120.919 0.05 . 1 . . . . . . . . 7021 1 1671 . 1 1 203 203 LYS H H 1 8.715 0.02 . 1 . . . . . . . . 7021 1 1672 . 1 1 203 203 LYS HA H 1 5.058 0.02 . 1 . . . . . . . . 7021 1 1673 . 1 1 203 203 LYS HB2 H 1 1.652 0.02 . 2 . . . . . . . . 7021 1 1674 . 1 1 203 203 LYS HB3 H 1 1.759 0.02 . 2 . . . . . . . . 7021 1 1675 . 1 1 203 203 LYS HG2 H 1 1.555 0.02 . 1 . . . . . . . . 7021 1 1676 . 1 1 203 203 LYS HG3 H 1 1.555 0.02 . 1 . . . . . . . . 7021 1 1677 . 1 1 203 203 LYS HD2 H 1 1.140 0.02 . 1 . . . . . . . . 7021 1 1678 . 1 1 203 203 LYS HD3 H 1 1.140 0.02 . 1 . . . . . . . . 7021 1 1679 . 1 1 203 203 LYS HE2 H 1 2.715 0.02 . 1 . . . . . . . . 7021 1 1680 . 1 1 203 203 LYS HE3 H 1 2.715 0.02 . 1 . . . . . . . . 7021 1 1681 . 1 1 203 203 LYS C C 13 175.869 0.05 . 1 . . . . . . . . 7021 1 1682 . 1 1 203 203 LYS CA C 13 56.110 0.05 . 1 . . . . . . . . 7021 1 1683 . 1 1 203 203 LYS CB C 13 33.500 0.05 . 1 . . . . . . . . 7021 1 1684 . 1 1 203 203 LYS CG C 13 29.162 0.05 . 1 . . . . . . . . 7021 1 1685 . 1 1 203 203 LYS CD C 13 25.334 0.05 . 1 . . . . . . . . 7021 1 1686 . 1 1 203 203 LYS CE C 13 41.467 0.05 . 1 . . . . . . . . 7021 1 1687 . 1 1 203 203 LYS N N 15 124.670 0.05 . 1 . . . . . . . . 7021 1 1688 . 1 1 204 204 ILE H H 1 9.189 0.02 . 1 . . . . . . . . 7021 1 1689 . 1 1 204 204 ILE HA H 1 4.597 0.02 . 1 . . . . . . . . 7021 1 1690 . 1 1 204 204 ILE HB H 1 1.181 0.02 . 1 . . . . . . . . 7021 1 1691 . 1 1 204 204 ILE HG12 H 1 0.195 0.02 . 1 . . . . . . . . 7021 1 1692 . 1 1 204 204 ILE HG13 H 1 1.070 0.02 . 1 . . . . . . . . 7021 1 1693 . 1 1 204 204 ILE HG21 H 1 0.281 0.02 . 1 . . . . . . . . 7021 1 1694 . 1 1 204 204 ILE HG22 H 1 0.281 0.02 . 1 . . . . . . . . 7021 1 1695 . 1 1 204 204 ILE HG23 H 1 0.281 0.02 . 1 . . . . . . . . 7021 1 1696 . 1 1 204 204 ILE HD11 H 1 -0.749 0.02 . 1 . . . . . . . . 7021 1 1697 . 1 1 204 204 ILE HD12 H 1 -0.749 0.02 . 1 . . . . . . . . 7021 1 1698 . 1 1 204 204 ILE HD13 H 1 -0.749 0.02 . 1 . . . . . . . . 7021 1 1699 . 1 1 204 204 ILE C C 13 173.216 0.05 . 1 . . . . . . . . 7021 1 1700 . 1 1 204 204 ILE CA C 13 60.300 0.05 . 1 . . . . . . . . 7021 1 1701 . 1 1 204 204 ILE CB C 13 41.660 0.05 . 1 . . . . . . . . 7021 1 1702 . 1 1 204 204 ILE CG1 C 13 26.701 0.05 . 1 . . . . . . . . 7021 1 1703 . 1 1 204 204 ILE CG2 C 13 15.763 0.05 . 1 . . . . . . . . 7021 1 1704 . 1 1 204 204 ILE CD1 C 13 11.388 0.05 . 1 . . . . . . . . 7021 1 1705 . 1 1 204 204 ILE N N 15 125.396 0.05 . 1 . . . . . . . . 7021 1 1706 . 1 1 205 205 HIS H H 1 9.288 0.02 . 1 . . . . . . . . 7021 1 1707 . 1 1 205 205 HIS HA H 1 5.679 0.02 . 1 . . . . . . . . 7021 1 1708 . 1 1 205 205 HIS HB2 H 1 2.927 0.02 . 2 . . . . . . . . 7021 1 1709 . 1 1 205 205 HIS HB3 H 1 3.184 0.02 . 2 . . . . . . . . 7021 1 1710 . 1 1 205 205 HIS C C 13 173.699 0.05 . 1 . . . . . . . . 7021 1 1711 . 1 1 205 205 HIS CA C 13 51.740 0.05 . 1 . . . . . . . . 7021 1 1712 . 1 1 205 205 HIS CB C 13 30.760 0.05 . 1 . . . . . . . . 7021 1 1713 . 1 1 205 205 HIS N N 15 126.644 0.05 . 1 . . . . . . . . 7021 1 1714 . 1 1 206 206 LEU H H 1 8.536 0.02 . 1 . . . . . . . . 7021 1 1715 . 1 1 206 206 LEU HA H 1 4.255 0.02 . 1 . . . . . . . . 7021 1 1716 . 1 1 206 206 LEU HB2 H 1 0.849 0.02 . 2 . . . . . . . . 7021 1 1717 . 1 1 206 206 LEU HB3 H 1 1.652 0.02 . 2 . . . . . . . . 7021 1 1718 . 1 1 206 206 LEU HG H 1 0.968 0.02 . 1 . . . . . . . . 7021 1 1719 . 1 1 206 206 LEU HD11 H 1 0.639 0.02 . 2 . . . . . . . . 7021 1 1720 . 1 1 206 206 LEU HD12 H 1 0.639 0.02 . 2 . . . . . . . . 7021 1 1721 . 1 1 206 206 LEU HD13 H 1 0.639 0.02 . 2 . . . . . . . . 7021 1 1722 . 1 1 206 206 LEU HD21 H 1 0.482 0.02 . 2 . . . . . . . . 7021 1 1723 . 1 1 206 206 LEU HD22 H 1 0.482 0.02 . 2 . . . . . . . . 7021 1 1724 . 1 1 206 206 LEU HD23 H 1 0.482 0.02 . 2 . . . . . . . . 7021 1 1725 . 1 1 206 206 LEU C C 13 173.930 0.05 . 1 . . . . . . . . 7021 1 1726 . 1 1 206 206 LEU CA C 13 54.360 0.05 . 1 . . . . . . . . 7021 1 1727 . 1 1 206 206 LEU CB C 13 41.810 0.05 . 1 . . . . . . . . 7021 1 1728 . 1 1 206 206 LEU CG C 13 28.068 0.05 . 1 . . . . . . . . 7021 1 1729 . 1 1 206 206 LEU CD1 C 13 24.240 0.05 . 1 . . . . . . . . 7021 1 1730 . 1 1 206 206 LEU CD2 C 13 26.154 0.05 . 1 . . . . . . . . 7021 1 1731 . 1 1 206 206 LEU N N 15 129.939 0.05 . 1 . . . . . . . . 7021 1 1732 . 1 1 207 207 ILE H H 1 8.608 0.02 . 1 . . . . . . . . 7021 1 1733 . 1 1 207 207 ILE HA H 1 3.441 0.02 . 1 . . . . . . . . 7021 1 1734 . 1 1 207 207 ILE HB H 1 1.299 0.02 . 1 . . . . . . . . 7021 1 1735 . 1 1 207 207 ILE HG12 H 1 0.233 0.02 . 1 . . . . . . . . 7021 1 1736 . 1 1 207 207 ILE HG21 H 1 0.611 0.02 . 1 . . . . . . . . 7021 1 1737 . 1 1 207 207 ILE HG22 H 1 0.611 0.02 . 1 . . . . . . . . 7021 1 1738 . 1 1 207 207 ILE HG23 H 1 0.611 0.02 . 1 . . . . . . . . 7021 1 1739 . 1 1 207 207 ILE HD11 H 1 0.439 0.02 . 1 . . . . . . . . 7021 1 1740 . 1 1 207 207 ILE HD12 H 1 0.439 0.02 . 1 . . . . . . . . 7021 1 1741 . 1 1 207 207 ILE HD13 H 1 0.439 0.02 . 1 . . . . . . . . 7021 1 1742 . 1 1 207 207 ILE C C 13 176.319 0.05 . 1 . . . . . . . . 7021 1 1743 . 1 1 207 207 ILE CA C 13 63.650 0.05 . 1 . . . . . . . . 7021 1 1744 . 1 1 207 207 ILE CB C 13 38.240 0.05 . 1 . . . . . . . . 7021 1 1745 . 1 1 207 207 ILE CG1 C 13 27.248 0.05 . 1 . . . . . . . . 7021 1 1746 . 1 1 207 207 ILE CG2 C 13 16.584 0.05 . 1 . . . . . . . . 7021 1 1747 . 1 1 207 207 ILE CD1 C 13 13.302 0.05 . 1 . . . . . . . . 7021 1 1748 . 1 1 207 207 ILE N N 15 130.204 0.05 . 1 . . . . . . . . 7021 1 1749 . 1 1 208 208 SER H H 1 7.409 0.02 . 1 . . . . . . . . 7021 1 1750 . 1 1 208 208 SER HA H 1 4.501 0.02 . 1 . . . . . . . . 7021 1 1751 . 1 1 208 208 SER HB2 H 1 3.612 0.02 . 1 . . . . . . . . 7021 1 1752 . 1 1 208 208 SER HB3 H 1 3.612 0.02 . 1 . . . . . . . . 7021 1 1753 . 1 1 208 208 SER C C 13 171.049 0.05 . 1 . . . . . . . . 7021 1 1754 . 1 1 208 208 SER CA C 13 56.950 0.05 . 1 . . . . . . . . 7021 1 1755 . 1 1 208 208 SER CB C 13 65.240 0.05 . 1 . . . . . . . . 7021 1 1756 . 1 1 208 208 SER N N 15 109.413 0.05 . 1 . . . . . . . . 7021 1 1757 . 1 1 209 209 VAL H H 1 8.305 0.02 . 1 . . . . . . . . 7021 1 1758 . 1 1 209 209 VAL HA H 1 4.362 0.02 . 1 . . . . . . . . 7021 1 1759 . 1 1 209 209 VAL HB H 1 1.556 0.02 . 1 . . . . . . . . 7021 1 1760 . 1 1 209 209 VAL HG11 H 1 0.611 0.02 . 2 . . . . . . . . 7021 1 1761 . 1 1 209 209 VAL HG12 H 1 0.611 0.02 . 2 . . . . . . . . 7021 1 1762 . 1 1 209 209 VAL HG13 H 1 0.611 0.02 . 2 . . . . . . . . 7021 1 1763 . 1 1 209 209 VAL HG21 H 1 0.670 0.02 . 2 . . . . . . . . 7021 1 1764 . 1 1 209 209 VAL HG22 H 1 0.670 0.02 . 2 . . . . . . . . 7021 1 1765 . 1 1 209 209 VAL HG23 H 1 0.670 0.02 . 2 . . . . . . . . 7021 1 1766 . 1 1 209 209 VAL C C 13 174.279 0.05 . 1 . . . . . . . . 7021 1 1767 . 1 1 209 209 VAL CA C 13 60.940 0.05 . 1 . . . . . . . . 7021 1 1768 . 1 1 209 209 VAL CB C 13 34.730 0.05 . 1 . . . . . . . . 7021 1 1769 . 1 1 209 209 VAL CG1 C 13 21.506 0.05 . 1 . . . . . . . . 7021 1 1770 . 1 1 209 209 VAL CG2 C 13 21.506 0.05 . 1 . . . . . . . . 7021 1 1771 . 1 1 209 209 VAL N N 15 120.844 0.05 . 1 . . . . . . . . 7021 1 1772 . 1 1 210 210 LYS H H 1 9.029 0.02 . 1 . . . . . . . . 7021 1 1773 . 1 1 210 210 LYS HA H 1 4.458 0.02 . 1 . . . . . . . . 7021 1 1774 . 1 1 210 210 LYS HB2 H 1 1.438 0.02 . 2 . . . . . . . . 7021 1 1775 . 1 1 210 210 LYS HB3 H 1 1.588 0.02 . 2 . . . . . . . . 7021 1 1776 . 1 1 210 210 LYS HG2 H 1 1.212 0.02 . 2 . . . . . . . . 7021 1 1777 . 1 1 210 210 LYS HG3 H 1 1.155 0.02 . 2 . . . . . . . . 7021 1 1778 . 1 1 210 210 LYS HE2 H 1 2.801 0.02 . 1 . . . . . . . . 7021 1 1779 . 1 1 210 210 LYS HE3 H 1 2.801 0.02 . 1 . . . . . . . . 7021 1 1780 . 1 1 210 210 LYS C C 13 175.140 0.05 . 1 . . . . . . . . 7021 1 1781 . 1 1 210 210 LYS CA C 13 54.850 0.05 . 1 . . . . . . . . 7021 1 1782 . 1 1 210 210 LYS CB C 13 33.920 0.05 . 1 . . . . . . . . 7021 1 1783 . 1 1 210 210 LYS CE C 13 41.741 0.05 . 1 . . . . . . . . 7021 1 1784 . 1 1 210 210 LYS N N 15 129.657 0.05 . 1 . . . . . . . . 7021 1 1785 . 1 1 211 211 LYS H H 1 8.550 0.02 . 1 . . . . . . . . 7021 1 1786 . 1 1 211 211 LYS HA H 1 4.265 0.02 . 1 . . . . . . . . 7021 1 1787 . 1 1 211 211 LYS HB2 H 1 1.588 0.02 . 2 . . . . . . . . 7021 1 1788 . 1 1 211 211 LYS HB3 H 1 1.716 0.02 . 2 . . . . . . . . 7021 1 1789 . 1 1 211 211 LYS HG2 H 1 1.355 0.02 . 1 . . . . . . . . 7021 1 1790 . 1 1 211 211 LYS HG3 H 1 1.355 0.02 . 1 . . . . . . . . 7021 1 1791 . 1 1 211 211 LYS HE2 H 1 2.887 0.02 . 1 . . . . . . . . 7021 1 1792 . 1 1 211 211 LYS HE3 H 1 2.887 0.02 . 1 . . . . . . . . 7021 1 1793 . 1 1 211 211 LYS C C 13 177.358 0.05 . 1 . . . . . . . . 7021 1 1794 . 1 1 211 211 LYS CA C 13 55.820 0.05 . 1 . . . . . . . . 7021 1 1795 . 1 1 211 211 LYS CB C 13 32.370 0.05 . 1 . . . . . . . . 7021 1 1796 . 1 1 211 211 LYS CG C 13 24.514 0.05 . 1 . . . . . . . . 7021 1 1797 . 1 1 211 211 LYS CE C 13 41.467 0.05 . 1 . . . . . . . . 7021 1 1798 . 1 1 211 211 LYS N N 15 127.342 0.05 . 1 . . . . . . . . 7021 1 1799 . 1 1 212 212 SER H H 1 8.657 0.02 . 1 . . . . . . . . 7021 1 1800 . 1 1 212 212 SER HA H 1 4.330 0.02 . 1 . . . . . . . . 7021 1 1801 . 1 1 212 212 SER HB2 H 1 3.805 0.02 . 1 . . . . . . . . 7021 1 1802 . 1 1 212 212 SER HB3 H 1 3.805 0.02 . 1 . . . . . . . . 7021 1 1803 . 1 1 212 212 SER C C 13 173.779 0.05 . 1 . . . . . . . . 7021 1 1804 . 1 1 212 212 SER CA C 13 58.590 0.05 . 1 . . . . . . . . 7021 1 1805 . 1 1 212 212 SER CB C 13 63.680 0.05 . 1 . . . . . . . . 7021 1 1806 . 1 1 212 212 SER N N 15 119.607 0.05 . 1 . . . . . . . . 7021 1 1807 . 1 1 213 213 SER H H 1 7.880 0.02 . 1 . . . . . . . . 7021 1 1808 . 1 1 213 213 SER CA C 13 60.020 0.05 . 1 . . . . . . . . 7021 1 1809 . 1 1 213 213 SER CB C 13 64.710 0.05 . 1 . . . . . . . . 7021 1 1810 . 1 1 213 213 SER N N 15 123.510 0.05 . 1 . . . . . . . . 7021 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 7021 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 7021 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 THR N . . . 1 1 2 2 THR H . . 0.709 0.85 . . . . . . . . . . 7021 1 2 . 1 1 3 3 ASP N . . . 1 1 3 3 ASP H . . -0.218 0.104 . . . . . . . . . . 7021 1 3 . 1 1 4 4 ALA N . . . 1 1 4 4 ALA H . . -0.049 0.036 . . . . . . . . . . 7021 1 4 . 1 1 5 5 THR N . . . 1 1 5 5 THR H . . 0.146 0.076 . . . . . . . . . . 7021 1 5 . 1 1 6 6 SER N . . . 1 1 6 6 SER H . . 0.306 0.196 . . . . . . . . . . 7021 1 6 . 1 1 7 7 LEU N . . . 1 1 7 7 LEU H . . 0.359 0.35 . . . . . . . . . . 7021 1 7 . 1 1 8 8 ALA N . . . 1 1 8 8 ALA H . . 0.746 0.577 . . . . . . . . . . 7021 1 8 . 1 1 9 9 THR N . . . 1 1 9 9 THR H . . 0.644 0.653 . . . . . . . . . . 7021 1 9 . 1 1 10 10 ASP N . . . 1 1 10 10 ASP H . . 0.727 1.123 . . . . . . . . . . 7021 1 10 . 1 1 11 11 LYS N . . . 1 1 11 11 LYS H . . 0.709 1.596 . . . . . . . . . . 7021 1 11 . 1 1 12 12 ASP N . . . 1 1 12 12 ASP H . . 0.908 1.551 . . . . . . . . . . 7021 1 12 . 1 1 13 13 LYS N . . . 1 1 13 13 LYS H . . 0.729 0.962 . . . . . . . . . . 7021 1 13 . 1 1 14 14 LEU N . . . 1 1 14 14 LEU H . . 0.747 2.587 . . . . . . . . . . 7021 1 14 . 1 1 15 15 SER N . . . 1 1 15 15 SER H . . 0.894 1.896 . . . . . . . . . . 7021 1 15 . 1 1 16 16 TYR N . . . 1 1 16 16 TYR H . . 0.756 1.207 . . . . . . . . . . 7021 1 16 . 1 1 17 17 SER N . . . 1 1 17 17 SER H . . 0.748 1.571 . . . . . . . . . . 7021 1 17 . 1 1 36 36 GLU N . . . 1 1 36 36 GLU H . . 0.797 1.026 . . . . . . . . . . 7021 1 18 . 1 1 37 37 ALA N . . . 1 1 37 37 ALA H . . 0.816 1.138 . . . . . . . . . . 7021 1 19 . 1 1 38 38 MET N . . . 1 1 38 38 MET H . . 0.864 1.511 . . . . . . . . . . 7021 1 20 . 1 1 39 39 ALA N . . . 1 1 39 39 ALA H . . 0.77 0.844 . . . . . . . . . . 7021 1 21 . 1 1 40 40 LYS N . . . 1 1 40 40 LYS H . . 0.814 1.007 . . . . . . . . . . 7021 1 22 . 1 1 41 41 GLY N . . . 1 1 41 41 GLY H . . 0.856 1.291 . . . . . . . . . . 7021 1 23 . 1 1 42 42 MET N . . . 1 1 42 42 MET H . . 0.83 1.283 . . . . . . . . . . 7021 1 24 . 1 1 43 43 GLN N . . . 1 1 43 43 GLN H . . 0.666 1.215 . . . . . . . . . . 7021 1 25 . 1 1 44 44 ASP N . . . 1 1 44 44 ASP H . . 0.85 1.445 . . . . . . . . . . 7021 1 26 . 1 1 45 45 ALA N . . . 1 1 45 45 ALA H . . 0.768 0.738 . . . . . . . . . . 7021 1 27 . 1 1 48 48 GLY N . . . 1 1 48 48 GLY H . . 0.707 0.707 . . . . . . . . . . 7021 1 28 . 1 1 49 49 ALA N . . . 1 1 49 49 ALA H . . 0.769 0.685 . . . . . . . . . . 7021 1 29 . 1 1 50 50 GLN N . . . 1 1 50 50 GLN H . . 0.787 0.497 . . . . . . . . . . 7021 1 30 . 1 1 51 51 LEU N . . . 1 1 51 51 LEU H . . 0.663 0.698 . . . . . . . . . . 7021 1 31 . 1 1 52 52 ALA N . . . 1 1 52 52 ALA H . . 0.741 0.899 . . . . . . . . . . 7021 1 32 . 1 1 53 53 LEU N . . . 1 1 53 53 LEU H . . 0.786 1.201 . . . . . . . . . . 7021 1 33 . 1 1 54 54 THR N . . . 1 1 54 54 THR H . . 0.754 1.013 . . . . . . . . . . 7021 1 34 . 1 1 55 55 GLU N . . . 1 1 55 55 GLU H . . 0.818 1.01 . . . . . . . . . . 7021 1 35 . 1 1 56 56 GLN N . . . 1 1 56 56 GLN H . . 0.731 0.773 . . . . . . . . . . 7021 1 36 . 1 1 70 70 MET N . . . 1 1 70 70 MET H . . 0.718 1.33 . . . . . . . . . . 7021 1 37 . 1 1 71 71 ALA N . . . 1 1 71 71 ALA H . . -0.355 0.917 . . . . . . . . . . 7021 1 38 . 1 1 74 74 THR N . . . 1 1 74 74 THR H . . 0.546 1.926 . . . . . . . . . . 7021 1 39 . 1 1 75 75 ALA N . . . 1 1 75 75 ALA H . . -8.396 239.203 . . . . . . . . . . 7021 1 40 . 1 1 76 76 GLU N . . . 1 1 76 76 GLU H . . -1.321 2.364 . . . . . . . . . . 7021 1 41 . 1 1 77 77 PHE N . . . 1 1 77 77 PHE H . . 0.551 1.511 . . . . . . . . . . 7021 1 42 . 1 1 78 78 ASN N . . . 1 1 78 78 ASN H . . 0.434 0.607 . . . . . . . . . . 7021 1 43 . 1 1 81 81 ALA N . . . 1 1 81 81 ALA H . . 0.573 0.775 . . . . . . . . . . 7021 1 44 . 1 1 82 82 ASP N . . . 1 1 82 82 ASP H . . 0.71 1.013 . . . . . . . . . . 7021 1 45 . 1 1 83 83 GLU N . . . 1 1 83 83 GLU H . . 0.614 0.631 . . . . . . . . . . 7021 1 46 . 1 1 84 84 ASN N . . . 1 1 84 84 ASN H . . 0.817 0.844 . . . . . . . . . . 7021 1 47 . 1 1 85 85 LYS N . . . 1 1 85 85 LYS H . . 1.054 4.199 . . . . . . . . . . 7021 1 48 . 1 1 86 86 VAL N . . . 1 1 86 86 VAL H . . 0.846 7.407 . . . . . . . . . . 7021 1 49 . 1 1 87 87 LYS N . . . 1 1 87 87 LYS H . . 0.827 0.5 . . . . . . . . . . 7021 1 50 . 1 1 88 88 GLY N . . . 1 1 88 88 GLY H . . 0.705 0.65 . . . . . . . . . . 7021 1 51 . 1 1 90 90 ALA N . . . 1 1 90 90 ALA H . . -0.374 1.016 . . . . . . . . . . 7021 1 52 . 1 1 91 91 PHE N . . . 1 1 91 91 PHE H . . -0.427 0.266 . . . . . . . . . . 7021 1 53 . 1 1 92 92 LEU N . . . 1 1 92 92 LEU H . . 0.836 0.55 . . . . . . . . . . 7021 1 54 . 1 1 93 93 THR N . . . 1 1 93 93 THR H . . 0.777 0.494 . . . . . . . . . . 7021 1 55 . 1 1 94 94 GLU N . . . 1 1 94 94 GLU H . . 0.611 0.58 . . . . . . . . . . 7021 1 56 . 1 1 95 95 ASN N . . . 1 1 95 95 ASN H . . 0.726 0.353 . . . . . . . . . . 7021 1 57 . 1 1 96 96 LYS N . . . 1 1 96 96 LYS H . . 0.784 0.628 . . . . . . . . . . 7021 1 58 . 1 1 97 97 ASN N . . . 1 1 97 97 ASN H . . 0.735 0.432 . . . . . . . . . . 7021 1 59 . 1 1 98 98 LYS N . . . 1 1 98 98 LYS H . . 0.777 0.397 . . . . . . . . . . 7021 1 60 . 1 1 100 100 GLY N . . . 1 1 100 100 GLY H . . 0.776 0.397 . . . . . . . . . . 7021 1 61 . 1 1 101 101 VAL N . . . 1 1 101 101 VAL H . . 0.848 0.487 . . . . . . . . . . 7021 1 62 . 1 1 102 102 VAL N . . . 1 1 102 102 VAL H . . 0.492 4.532 . . . . . . . . . . 7021 1 63 . 1 1 103 103 VAL N . . . 1 1 103 103 VAL H . . 0.821 0.445 . . . . . . . . . . 7021 1 64 . 1 1 104 104 LEU N . . . 1 1 104 104 LEU H . . 0.830 0.488 . . . . . . . . . . 7021 1 65 . 1 1 106 106 SER N . . . 1 1 106 106 SER H . . 0.857 0.504 . . . . . . . . . . 7021 1 66 . 1 1 107 107 GLY N . . . 1 1 107 107 GLY H . . 0.808 0.427 . . . . . . . . . . 7021 1 67 . 1 1 108 108 LEU N . . . 1 1 108 108 LEU H . . 0.7895 0.343 . . . . . . . . . . 7021 1 68 . 1 1 109 109 GLN N . . . 1 1 109 109 GLN H . . 0.856 0.49 . . . . . . . . . . 7021 1 69 . 1 1 110 110 TYR N . . . 1 1 110 110 TYR H . . 0.806 0.412 . . . . . . . . . . 7021 1 70 . 1 1 111 111 LYS N . . . 1 1 111 111 LYS H . . 0.827 0.46 . . . . . . . . . . 7021 1 71 . 1 1 112 112 VAL N . . . 1 1 112 112 VAL H . . 0.723 0.419 . . . . . . . . . . 7021 1 72 . 1 1 113 113 ILE N . . . 1 1 113 113 ILE H . . 0.598 0.393 . . . . . . . . . . 7021 1 73 . 1 1 114 114 ASN N . . . 1 1 114 114 ASN H . . 0.815 0.461 . . . . . . . . . . 7021 1 74 . 1 1 115 115 SER N . . . 1 1 115 115 SER H . . 0.798 0.553 . . . . . . . . . . 7021 1 75 . 1 1 116 116 GLY N . . . 1 1 116 116 GLY H . . 0.692 0.361 . . . . . . . . . . 7021 1 76 . 1 1 117 117 ASN N . . . 1 1 117 117 ASN H . . 0.768 0.517 . . . . . . . . . . 7021 1 77 . 1 1 118 118 GLY N . . . 1 1 118 118 GLY H . . 0.723 0.346 . . . . . . . . . . 7021 1 78 . 1 1 119 119 VAL N . . . 1 1 119 119 VAL H . . 0.743 0.389 . . . . . . . . . . 7021 1 79 . 1 1 120 120 LYS N . . . 1 1 120 120 LYS H . . 0.772 0.371 . . . . . . . . . . 7021 1 80 . 1 1 122 122 GLY N . . . 1 1 122 122 GLY H . . 0.824 0.481 . . . . . . . . . . 7021 1 81 . 1 1 123 123 LYS N . . . 1 1 123 123 LYS H . . 0.771 0.443 . . . . . . . . . . 7021 1 82 . 1 1 124 124 SER N . . . 1 1 124 124 SER H . . 0.777 0.4 . . . . . . . . . . 7021 1 83 . 1 1 125 125 ASP N . . . 1 1 125 125 ASP H . . 0.794 0.436 . . . . . . . . . . 7021 1 84 . 1 1 126 126 THR N . . . 1 1 126 126 THR H . . 0.858 0.504 . . . . . . . . . . 7021 1 85 . 1 1 127 127 VAL N . . . 1 1 127 127 VAL H . . 0.790 0.47 . . . . . . . . . . 7021 1 86 . 1 1 128 128 THR N . . . 1 1 128 128 THR H . . 0.763 0.515 . . . . . . . . . . 7021 1 87 . 1 1 129 129 VAL N . . . 1 1 129 129 VAL H . . 0.796 0.498 . . . . . . . . . . 7021 1 88 . 1 1 130 130 GLU N . . . 1 1 130 130 GLU H . . 0.825 0.482 . . . . . . . . . . 7021 1 89 . 1 1 131 131 TYR N . . . 1 1 131 131 TYR H . . 0.808 0.415 . . . . . . . . . . 7021 1 90 . 1 1 132 132 THR N . . . 1 1 132 132 THR H . . 0.824 0.486 . . . . . . . . . . 7021 1 91 . 1 1 133 133 GLY N . . . 1 1 133 133 GLY H . . 0.773 0.54 . . . . . . . . . . 7021 1 92 . 1 1 134 134 ARG N . . . 1 1 134 134 ARG H . . 0.815 0.546 . . . . . . . . . . 7021 1 93 . 1 1 135 135 LEU N . . . 1 1 135 135 LEU H . . 0.846 0.491 . . . . . . . . . . 7021 1 94 . 1 1 136 136 ILE N . . . 1 1 136 136 ILE H . . 0.798 1.472 . . . . . . . . . . 7021 1 95 . 1 1 137 137 ASP N . . . 1 1 137 137 ASP H . . 0.835 0.755 . . . . . . . . . . 7021 1 96 . 1 1 138 138 GLY N . . . 1 1 138 138 GLY H . . 0.772 0.448 . . . . . . . . . . 7021 1 97 . 1 1 139 139 THR N . . . 1 1 139 139 THR H . . 0.798 0.398 . . . . . . . . . . 7021 1 98 . 1 1 140 140 VAL N . . . 1 1 140 140 VAL H . . 0.797 0.531 . . . . . . . . . . 7021 1 99 . 1 1 141 141 PHE N . . . 1 1 141 141 PHE H . . 0.757 0.514 . . . . . . . . . . 7021 1 100 . 1 1 142 142 ASP N . . . 1 1 142 142 ASP H . . 0.843 0.582 . . . . . . . . . . 7021 1 101 . 1 1 143 143 SER N . . . 1 1 143 143 SER H . . 0.822 0.396 . . . . . . . . . . 7021 1 102 . 1 1 144 144 THR N . . . 1 1 144 144 THR H . . 0.756 0.474 . . . . . . . . . . 7021 1 103 . 1 1 145 145 GLU N . . . 1 1 145 145 GLU H . . 0.692 0.327 . . . . . . . . . . 7021 1 104 . 1 1 146 146 LYS N . . . 1 1 146 146 LYS H . . 0.576 0.323 . . . . . . . . . . 7021 1 105 . 1 1 147 147 THR N . . . 1 1 147 147 THR H . . 0.559 0.336 . . . . . . . . . . 7021 1 106 . 1 1 148 148 GLY N . . . 1 1 148 148 GLY H . . 0.493 0.218 . . . . . . . . . . 7021 1 107 . 1 1 149 149 LYS N . . . 1 1 149 149 LYS H . . 0.660 0.571 . . . . . . . . . . 7021 1 108 . 1 1 151 151 ALA N . . . 1 1 151 151 ALA H . . 0.790 0.401 . . . . . . . . . . 7021 1 109 . 1 1 152 152 THR N . . . 1 1 152 152 THR H . . 0.849 0.45 . . . . . . . . . . 7021 1 110 . 1 1 153 153 PHE N . . . 1 1 153 153 PHE H . . 0.829 0.52 . . . . . . . . . . 7021 1 111 . 1 1 154 154 GLN N . . . 1 1 154 154 GLN H . . 0.759 0.377 . . . . . . . . . . 7021 1 112 . 1 1 155 155 VAL N . . . 1 1 155 155 VAL H . . 0.828 0.599 . . . . . . . . . . 7021 1 113 . 1 1 156 156 SER N . . . 1 1 156 156 SER H . . 0.716 0.393 . . . . . . . . . . 7021 1 114 . 1 1 157 157 GLN N . . . 1 1 157 157 GLN H . . 0.814 0.409 . . . . . . . . . . 7021 1 115 . 1 1 158 158 VAL N . . . 1 1 158 158 VAL H . . 0.722 0.36 . . . . . . . . . . 7021 1 116 . 1 1 159 159 ILE N . . . 1 1 159 159 ILE H . . 0.799 0.815 . . . . . . . . . . 7021 1 117 . 1 1 161 161 GLY N . . . 1 1 161 161 GLY H . . 0.478 6.902 . . . . . . . . . . 7021 1 118 . 1 1 162 162 TRP N . . . 1 1 162 162 TRP H . . 0.776 0.53 . . . . . . . . . . 7021 1 119 . 1 1 163 163 THR N . . . 1 1 163 163 THR H . . 0.837 0.55 . . . . . . . . . . 7021 1 120 . 1 1 164 164 GLU N . . . 1 1 164 164 GLU H . . 0.842 0.54 . . . . . . . . . . 7021 1 121 . 1 1 165 165 ALA N . . . 1 1 165 165 ALA H . . 0.862 0.648 . . . . . . . . . . 7021 1 122 . 1 1 166 166 LEU N . . . 1 1 166 166 LEU H . . 0.833 0.721 . . . . . . . . . . 7021 1 123 . 1 1 167 167 GLN N . . . 1 1 167 167 GLN H . . 0.813 0.654 . . . . . . . . . . 7021 1 124 . 1 1 168 168 LEU N . . . 1 1 168 168 LEU H . . 0.835 0.525 . . . . . . . . . . 7021 1 125 . 1 1 169 169 MET N . . . 1 1 169 169 MET H . . 0.859 0.588 . . . . . . . . . . 7021 1 126 . 1 1 171 171 ALA N . . . 1 1 171 171 ALA H . . 0.839 0.524 . . . . . . . . . . 7021 1 127 . 1 1 172 172 GLY N . . . 1 1 172 172 GLY H . . 0.778 0.71 . . . . . . . . . . 7021 1 128 . 1 1 173 173 SER N . . . 1 1 173 173 SER H . . 0.843 0.498 . . . . . . . . . . 7021 1 129 . 1 1 174 174 THR N . . . 1 1 174 174 THR H . . 0.839 0.399 . . . . . . . . . . 7021 1 130 . 1 1 175 175 TRP N . . . 1 1 175 175 TRP H . . 0.773 0.509 . . . . . . . . . . 7021 1 131 . 1 1 176 176 GLU N . . . 1 1 176 176 GLU H . . 0.823 0.521 . . . . . . . . . . 7021 1 132 . 1 1 177 177 ILE N . . . 1 1 177 177 ILE H . . 0.839 0.399 . . . . . . . . . . 7021 1 133 . 1 1 178 178 TYR N . . . 1 1 178 178 TYR H . . 0.788 0.651 . . . . . . . . . . 7021 1 134 . 1 1 179 179 VAL N . . . 1 1 179 179 VAL H . . 0.875 0.936 . . . . . . . . . . 7021 1 135 . 1 1 182 182 GLY N . . . 1 1 182 182 GLY H . . 0.883 0.752 . . . . . . . . . . 7021 1 136 . 1 1 183 183 LEU N . . . 1 1 183 183 LEU H . . 0.792 0.492 . . . . . . . . . . 7021 1 137 . 1 1 184 184 ALA N . . . 1 1 184 184 ALA H . . 0.863 0.773 . . . . . . . . . . 7021 1 138 . 1 1 185 185 TYR N . . . 1 1 185 185 TYR H . . 0.938 2.247 . . . . . . . . . . 7021 1 139 . 1 1 186 186 GLY N . . . 1 1 186 186 GLY H . . 0.763 0.496 . . . . . . . . . . 7021 1 140 . 1 1 188 188 ARG N . . . 1 1 188 188 ARG H . . 0.495 0.186 . . . . . . . . . . 7021 1 141 . 1 1 189 189 SER N . . . 1 1 189 189 SER H . . 0.529 0.341 . . . . . . . . . . 7021 1 142 . 1 1 190 190 VAL N . . . 1 1 190 190 VAL H . . 0.568 0.402 . . . . . . . . . . 7021 1 143 . 1 1 191 191 GLY N . . . 1 1 191 191 GLY H . . 0.671 0.742 . . . . . . . . . . 7021 1 144 . 1 1 192 192 GLY N . . . 1 1 192 192 GLY H . . 0.566 0.37 . . . . . . . . . . 7021 1 145 . 1 1 194 194 ILE N . . . 1 1 194 194 ILE H . . 0.660 0.626 . . . . . . . . . . 7021 1 146 . 1 1 195 195 GLY N . . . 1 1 195 195 GLY H . . 0.766 1.24 . . . . . . . . . . 7021 1 147 . 1 1 197 197 ASN N . . . 1 1 197 197 ASN H . . 0.825 0.581 . . . . . . . . . . 7021 1 148 . 1 1 198 198 GLU N . . . 1 1 198 198 GLU H . . 0.772 0.819 . . . . . . . . . . 7021 1 149 . 1 1 199 199 THR N . . . 1 1 199 199 THR H . . 0.787 1.24 . . . . . . . . . . 7021 1 150 . 1 1 200 200 LEU N . . . 1 1 200 200 LEU H . . 0.619 0.269 . . . . . . . . . . 7021 1 151 . 1 1 201 201 ILE N . . . 1 1 201 201 ILE H . . 0.785 0.717 . . . . . . . . . . 7021 1 152 . 1 1 202 202 PHE N . . . 1 1 202 202 PHE H . . 0.782 0.593 . . . . . . . . . . 7021 1 153 . 1 1 203 203 LYS N . . . 1 1 203 203 LYS H . . 0.801 0.477 . . . . . . . . . . 7021 1 154 . 1 1 204 204 ILE N . . . 1 1 204 204 ILE H . . 0.739 0.529 . . . . . . . . . . 7021 1 155 . 1 1 205 205 HIS N . . . 1 1 205 205 HIS H . . 0.850 0.578 . . . . . . . . . . 7021 1 156 . 1 1 206 206 LEU N . . . 1 1 206 206 LEU H . . 0.873 0.547 . . . . . . . . . . 7021 1 157 . 1 1 207 207 ILE N . . . 1 1 207 207 ILE H . . 0.828 0.725 . . . . . . . . . . 7021 1 158 . 1 1 208 208 SER N . . . 1 1 208 208 SER H . . 0.852 0.456 . . . . . . . . . . 7021 1 159 . 1 1 209 209 VAL N . . . 1 1 209 209 VAL H . . 0.777 0.347 . . . . . . . . . . 7021 1 160 . 1 1 210 210 LYS N . . . 1 1 210 210 LYS H . . 0.830 0.404 . . . . . . . . . . 7021 1 161 . 1 1 211 211 LYS N . . . 1 1 211 211 LYS H . . 0.686 0.295 . . . . . . . . . . 7021 1 162 . 1 1 212 212 SER N . . . 1 1 212 212 SER H . . 0.434 0.139 . . . . . . . . . . 7021 1 163 . 1 1 213 213 SER N . . . 1 1 213 213 SER H . . -0.068 0.014 . . . . . . . . . . 7021 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 7021 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 7021 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 THR N . . 796.23 17.23 . . . . . 7021 1 2 . 1 1 3 3 ASP N . . 725.35 68.83 . . . . . 7021 1 3 . 1 1 4 4 ALA N . . 670.63 16.04 . . . . . 7021 1 4 . 1 1 5 5 THR N . . 678.99 29.39 . . . . . 7021 1 5 . 1 1 6 6 SER N . . 631.48 29.59 . . . . . 7021 1 6 . 1 1 7 7 LEU N . . 698.25 36.36 . . . . . 7021 1 7 . 1 1 8 8 ALA N . . 647.56 15.42 . . . . . 7021 1 8 . 1 1 9 9 THR N . . 1051.58 65.52 . . . . . 7021 1 9 . 1 1 10 10 ASP N . . 780.59 42.39 . . . . . 7021 1 10 . 1 1 11 11 LYS N . . 889.53 18.61 . . . . . 7021 1 11 . 1 1 12 12 ASP N . . 726.31 21.24 . . . . . 7021 1 12 . 1 1 13 13 LYS N . . 795.54 13.65 . . . . . 7021 1 13 . 1 1 14 14 LEU N . . 797.27 9.8 . . . . . 7021 1 14 . 1 1 15 15 SER N . . 818.46 19.13 . . . . . 7021 1 15 . 1 1 16 16 TYR N . . 761.68 16.66 . . . . . 7021 1 16 . 1 1 17 17 SER N . . 752.85 15.87 . . . . . 7021 1 17 . 1 1 36 36 GLU N . . 879.18 27.16 . . . . . 7021 1 18 . 1 1 37 37 ALA N . . 879.03 25.91 . . . . . 7021 1 19 . 1 1 38 38 MET N . . 818.89 16.67 . . . . . 7021 1 20 . 1 1 39 39 ALA N . . 838.69 15.67 . . . . . 7021 1 21 . 1 1 40 40 LYS N . . 870.3 27.03 . . . . . 7021 1 22 . 1 1 41 41 GLY N . . 850.48 20.58 . . . . . 7021 1 23 . 1 1 42 42 MET N . . 782.67 10.3 . . . . . 7021 1 24 . 1 1 43 43 GLN N . . 958.8 22.96 . . . . . 7021 1 25 . 1 1 44 44 ASP N . . 879.46 24.44 . . . . . 7021 1 26 . 1 1 45 45 ALA N . . 834.21 22.79 . . . . . 7021 1 27 . 1 1 48 48 GLY N . . 779.51 32.19 . . . . . 7021 1 28 . 1 1 49 49 ALA N . . 850.09 29.57 . . . . . 7021 1 29 . 1 1 50 50 GLN N . . 969.5 71.35 . . . . . 7021 1 30 . 1 1 51 51 LEU N . . 910.79 42.38 . . . . . 7021 1 31 . 1 1 52 52 ALA N . . 821.26 19.12 . . . . . 7021 1 32 . 1 1 53 53 LEU N . . 963.47 44.46 . . . . . 7021 1 33 . 1 1 54 54 THR N . . 880.88 40.43 . . . . . 7021 1 34 . 1 1 55 55 GLU N . . 823.42 25.94 . . . . . 7021 1 35 . 1 1 56 56 GLN N . . 819.05 29.38 . . . . . 7021 1 36 . 1 1 70 70 MET N . . 793.67 13.01 . . . . . 7021 1 37 . 1 1 71 71 ALA N . . 1001.3 25.79 . . . . . 7021 1 38 . 1 1 74 74 THR N . . 806.15 23.18 . . . . . 7021 1 39 . 1 1 77 77 PHE N . . 649.6 19.17 . . . . . 7021 1 40 . 1 1 78 78 ASN N . . 720.87 17.59 . . . . . 7021 1 41 . 1 1 81 81 ALA N . . 645.99 15.26 . . . . . 7021 1 42 . 1 1 82 82 ASP N . . 577.18 15.62 . . . . . 7021 1 43 . 1 1 83 83 GLU N . . 626.48 24.74 . . . . . 7021 1 44 . 1 1 84 84 ASN N . . 582.18 16.47 . . . . . 7021 1 45 . 1 1 85 85 LYS N . . 625.78 8.67 . . . . . 7021 1 46 . 1 1 86 86 VAL N . . 795.18 16 . . . . . 7021 1 47 . 1 1 87 87 LYS N . . 718.25 16.53 . . . . . 7021 1 48 . 1 1 88 88 GLY N . . 628.15 10.92 . . . . . 7021 1 49 . 1 1 90 90 ALA N . . 765.7 12.3 . . . . . 7021 1 50 . 1 1 91 91 PHE N . . 1175.89 407.43 . . . . . 7021 1 51 . 1 1 92 92 LEU N . . 662.32 7.37 . . . . . 7021 1 52 . 1 1 93 93 THR N . . 737.26 23.95 . . . . . 7021 1 53 . 1 1 94 94 GLU N . . 680.29 19.09 . . . . . 7021 1 54 . 1 1 95 95 ASN N . . 713.06 16.03 . . . . . 7021 1 55 . 1 1 96 96 LYS N . . 734.31 20.36 . . . . . 7021 1 56 . 1 1 97 97 ASN N . . 752.25 28.53 . . . . . 7021 1 57 . 1 1 98 98 LYS N . . 722 15.05 . . . . . 7021 1 58 . 1 1 100 100 GLY N . . 680.34 49 . . . . . 7021 1 59 . 1 1 101 101 VAL N . . 732.76 31.11 . . . . . 7021 1 60 . 1 1 102 102 VAL N . . 698.05 13.54 . . . . . 7021 1 61 . 1 1 103 103 VAL N . . 730.98 24.72 . . . . . 7021 1 62 . 1 1 104 104 LEU N . . 684.12 12.04 . . . . . 7021 1 63 . 1 1 106 106 SER N . . 748.62 41.05 . . . . . 7021 1 64 . 1 1 107 107 GLY N . . 676.74 19.28 . . . . . 7021 1 65 . 1 1 108 108 LEU N . . 630 12.75 . . . . . 7021 1 66 . 1 1 109 109 GLN N . . 644.55 11.75 . . . . . 7021 1 67 . 1 1 110 110 TYR N . . 689.8 9.92 . . . . . 7021 1 68 . 1 1 111 111 LYS N . . 670.97 12.71 . . . . . 7021 1 69 . 1 1 112 112 VAL N . . 711.45 9.71 . . . . . 7021 1 70 . 1 1 113 113 ILE N . . 1031.69 164.31 . . . . . 7021 1 71 . 1 1 114 114 ASN N . . 722.05 14.99 . . . . . 7021 1 72 . 1 1 115 115 SER N . . 621.31 46.21 . . . . . 7021 1 73 . 1 1 116 116 GLY N . . 812.58 44.33 . . . . . 7021 1 74 . 1 1 117 117 ASN N . . 678.24 43.51 . . . . . 7021 1 75 . 1 1 118 118 GLY N . . 715.25 33.49 . . . . . 7021 1 76 . 1 1 119 119 VAL N . . 754.39 47.18 . . . . . 7021 1 77 . 1 1 120 120 LYS N . . 757.37 38.27 . . . . . 7021 1 78 . 1 1 122 122 GLY N . . 748.79 20.3 . . . . . 7021 1 79 . 1 1 123 123 LYS N . . 735.16 28.16 . . . . . 7021 1 80 . 1 1 124 124 SER N . . 613.78 25.45 . . . . . 7021 1 81 . 1 1 125 125 ASP N . . 692.53 20.83 . . . . . 7021 1 82 . 1 1 126 126 THR N . . 771.57 31.07 . . . . . 7021 1 83 . 1 1 127 127 VAL N . . 740.1 19.21 . . . . . 7021 1 84 . 1 1 128 128 THR N . . 729.37 24.11 . . . . . 7021 1 85 . 1 1 129 129 VAL N . . 665.62 18.8 . . . . . 7021 1 86 . 1 1 130 130 GLU N . . 680.08 19.19 . . . . . 7021 1 87 . 1 1 131 131 TYR N . . 661.16 10.73 . . . . . 7021 1 88 . 1 1 132 132 THR N . . 675.2 12.72 . . . . . 7021 1 89 . 1 1 133 133 GLY N . . 666.01 18.74 . . . . . 7021 1 90 . 1 1 134 134 ARG N . . 648.18 17.6 . . . . . 7021 1 91 . 1 1 135 135 LEU N . . 672.25 24.02 . . . . . 7021 1 92 . 1 1 136 136 ILE N . . 646.45 20.59 . . . . . 7021 1 93 . 1 1 137 137 ASP N . . 645.1 5.61 . . . . . 7021 1 94 . 1 1 138 138 GLY N . . 656.05 15.51 . . . . . 7021 1 95 . 1 1 139 139 THR N . . 731.04 42.66 . . . . . 7021 1 96 . 1 1 140 140 VAL N . . 724.54 27.09 . . . . . 7021 1 97 . 1 1 141 141 PHE N . . 826.03 101.63 . . . . . 7021 1 98 . 1 1 142 142 ASP N . . 697.44 14.65 . . . . . 7021 1 99 . 1 1 143 143 SER N . . 633.57 34.35 . . . . . 7021 1 100 . 1 1 144 144 THR N . . 647.1 13.71 . . . . . 7021 1 101 . 1 1 145 145 GLU N . . 614.4 32.74 . . . . . 7021 1 102 . 1 1 146 146 LYS N . . 624.22 21.85 . . . . . 7021 1 103 . 1 1 147 147 THR N . . 622.34 39.61 . . . . . 7021 1 104 . 1 1 148 148 GLY N . . 686.65 25.81 . . . . . 7021 1 105 . 1 1 149 149 LYS N . . 714.84 17.02 . . . . . 7021 1 106 . 1 1 151 151 ALA N . . 696.47 18.26 . . . . . 7021 1 107 . 1 1 152 152 THR N . . 748.01 40.36 . . . . . 7021 1 108 . 1 1 153 153 PHE N . . 708.17 14.77 . . . . . 7021 1 109 . 1 1 154 154 GLN N . . 749.36 33.83 . . . . . 7021 1 110 . 1 1 155 155 VAL N . . 752.37 22.8 . . . . . 7021 1 111 . 1 1 156 156 SER N . . 656.15 41.16 . . . . . 7021 1 112 . 1 1 157 157 GLN N . . 752.97 30.27 . . . . . 7021 1 113 . 1 1 158 158 VAL N . . 858.22 50.57 . . . . . 7021 1 114 . 1 1 159 159 ILE N . . 705.34 10.21 . . . . . 7021 1 115 . 1 1 161 161 GLY N . . 724.33 37.11 . . . . . 7021 1 116 . 1 1 162 162 TRP N . . 775.95 47.02 . . . . . 7021 1 117 . 1 1 163 163 THR N . . 748.97 26.92 . . . . . 7021 1 118 . 1 1 164 164 GLU N . . 725.97 26.54 . . . . . 7021 1 119 . 1 1 165 165 ALA N . . 728.83 18.22 . . . . . 7021 1 120 . 1 1 166 166 LEU N . . 746.3 13.78 . . . . . 7021 1 121 . 1 1 167 167 GLN N . . 751.64 22.83 . . . . . 7021 1 122 . 1 1 168 168 LEU N . . 717.82 13.18 . . . . . 7021 1 123 . 1 1 169 169 MET N . . 709.44 22.69 . . . . . 7021 1 124 . 1 1 171 171 ALA N . . 708.97 17.36 . . . . . 7021 1 125 . 1 1 172 172 GLY N . . 613.65 17.52 . . . . . 7021 1 126 . 1 1 173 173 SER N . . 667.38 14.95 . . . . . 7021 1 127 . 1 1 174 174 THR N . . 692.3 11.8 . . . . . 7021 1 128 . 1 1 175 175 TRP N . . 673.86 16.57 . . . . . 7021 1 129 . 1 1 176 176 GLU N . . 711.36 18.39 . . . . . 7021 1 130 . 1 1 177 177 ILE N . . 692.3 11.8 . . . . . 7021 1 131 . 1 1 178 178 TYR N . . 715.8 12.87 . . . . . 7021 1 132 . 1 1 179 179 VAL N . . 687.26 14.93 . . . . . 7021 1 133 . 1 1 182 182 GLY N . . 609.26 9.13 . . . . . 7021 1 134 . 1 1 183 183 LEU N . . 681.46 12.65 . . . . . 7021 1 135 . 1 1 184 184 ALA N . . 739.03 31.26 . . . . . 7021 1 136 . 1 1 185 185 TYR N . . 564.78 7.83 . . . . . 7021 1 137 . 1 1 186 186 GLY N . . 697.61 24.33 . . . . . 7021 1 138 . 1 1 188 188 ARG N . . 784.05 75.5 . . . . . 7021 1 139 . 1 1 189 189 SER N . . 571.98 29.85 . . . . . 7021 1 140 . 1 1 190 190 VAL N . . 620.88 17.08 . . . . . 7021 1 141 . 1 1 191 191 GLY N . . 902.18 21.03 . . . . . 7021 1 142 . 1 1 192 192 GLY N . . 540.63 48.75 . . . . . 7021 1 143 . 1 1 194 194 ILE N . . 704.75 11.11 . . . . . 7021 1 144 . 1 1 195 195 GLY N . . 649.21 15.21 . . . . . 7021 1 145 . 1 1 197 197 ASN N . . 640.63 18.09 . . . . . 7021 1 146 . 1 1 198 198 GLU N . . 625.03 9.91 . . . . . 7021 1 147 . 1 1 199 199 THR N . . 651.83 19.31 . . . . . 7021 1 148 . 1 1 200 200 LEU N . . 787.06 42.06 . . . . . 7021 1 149 . 1 1 201 201 ILE N . . 681.13 19.75 . . . . . 7021 1 150 . 1 1 202 202 PHE N . . 694.36 28.92 . . . . . 7021 1 151 . 1 1 203 203 LYS N . . 700.09 15.12 . . . . . 7021 1 152 . 1 1 204 204 ILE N . . 677.22 15.14 . . . . . 7021 1 153 . 1 1 205 205 HIS N . . 683.27 17.29 . . . . . 7021 1 154 . 1 1 206 206 LEU N . . 625.47 19.04 . . . . . 7021 1 155 . 1 1 207 207 ILE N . . 705.87 18.35 . . . . . 7021 1 156 . 1 1 208 208 SER N . . 731.61 23.22 . . . . . 7021 1 157 . 1 1 209 209 VAL N . . 732.92 25.9 . . . . . 7021 1 158 . 1 1 210 210 LYS N . . 762.64 32.34 . . . . . 7021 1 159 . 1 1 211 211 LYS N . . 629.09 29.7 . . . . . 7021 1 160 . 1 1 212 212 SER N . . 606.74 57.32 . . . . . 7021 1 161 . 1 1 213 213 SER N . . 732.69 93.65 . . . . . 7021 1 stop_ save_