data_6628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6628 _Entry.Title ; Specificity and Mechanism of the Histone Methyltransferase Pr-Set7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-12 _Entry.Accession_date 2005-09-30 _Entry.Last_release_date 2005-11-22 _Entry.Original_release_date 2005-11-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Bing Xiao . . . 6628 2 Chun Jing . . . 6628 3 Geoff Kelly . . . 6628 4 Philip Walker . . . 6628 5 Frederick Muskett . . . 6628 6 Thomas Frenkiel . . . 6628 7 Steve Martin . . . 6628 8 Kavitha Sarma . . . 6628 9 Danny Reinberg . . . 6628 10 Steven Gamblin . . . 6628 11 Jonathan Wilson . . . 6628 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'National Institute For Medical Research, London' . 6628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 6628 '15N chemical shifts' 179 6628 '1H chemical shifts' 179 6628 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 . . 2005-11-22 2005-05-12 original author . 6628 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6628 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15933069 _Citation.Full_citation . _Citation.Title 'Specificity and mechanism of the histone methyltransferase Pr-Set7' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 12 _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 1444 _Citation.Page_last 1454 _Citation.Year 2005 _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 Bing Xiao . . . 6628 1 2 Chun Jing . . . 6628 1 3 Geoff Kelly . . . 6628 1 4 Philip Walker . A. . 6628 1 5 Frederick Muskett . W. . 6628 1 6 Thomas Frenkiel . A. . 6628 1 7 Steve Martin . R. . 6628 1 8 Kavitha Sarma . . . 6628 1 9 Danny Reinberg . . . 6628 1 10 Steven Gamblin . J. . 6628 1 11 Jonathan Wilson . R. . 6628 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID nmr 6628 1 Pr-Set7 6628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6628 _Assembly.ID 1 _Assembly.Name Set7/9 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6628 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 Set7/9 1 $Set7-9_polypeptide . . yes native no no . . . 6628 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID Set7/9 . 6628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Set7-9_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Set7-9_polypeptide _Entity.Entry_ID 6628 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name set7/9 _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 ; GPLGSGQYKDNIRHGVCWIY YPDGGSLVGEVNEDGEMTGE KIAYVYPDERTALYGKFIDG EMIEGKLATLMSTEEGRPHF ELMPGNSVYHFDKSTSSCIS TNALLPDPYESERVYVAESL ISSAGEGLFSKVAVGPNTVM SFYNGVRITHQEVDSRDWAL NGNTLSLDEETVIDVPEPYN HVSKYCASLGHKANHSFTPN CIYDMFVHPRFGPIKCIRTL RAVEADEELTVAYGYDHSPP GKSGPEAPEWYQVELKAFQA TQQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 264 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1H3I . "Crystal Structure Of The Histone Methyltransferase Set79" . . . . . 89.77 293 100.00 100.00 2.46e-174 . . . . 6628 1 2 no PDB 1MT6 . "Structure Of Histone H3 K4-Specific Methyltransferase Set79 WITH ADOHCY" . . . . . 87.12 280 100.00 100.00 1.07e-168 . . . . 6628 1 3 no PDB 1MUF . "Structure Of Histone H3 K4-Specific Methyltransferase Set79" . . . . . 87.12 257 97.39 97.39 1.90e-162 . . . . 6628 1 4 no PDB 1N6A . "Structure Of Set7/9" . . . . . 98.11 259 97.68 97.68 0.00e+00 . . . . 6628 1 5 no PDB 1N6C . "Structure Of Set7/9" . . . . . 98.11 297 100.00 100.00 0.00e+00 . . . . 6628 1 6 no PDB 1O9S . "Crystal Structure Of A Ternary Complex Of The Human Histone Methyltransferase Set79" . . . . . 98.11 259 100.00 100.00 0.00e+00 . . . . 6628 1 7 no PDB 1XQH . "Crystal Structure Of A Ternary Complex Of The Methyltransferase Set9 (Also Known As Set79) WITH A P53 Peptide And Sah" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 6628 1 8 no PDB 2F69 . "Ternary Complex Of Set79 BOUND TO ADOHCY AND A TAF10 Peptide" . . . . . 98.86 261 98.85 99.23 0.00e+00 . . . . 6628 1 9 no PDB 3CBM . "Set79-Er-Adomet Complex" . . . . . 96.97 256 100.00 100.00 0.00e+00 . . . . 6628 1 10 no PDB 3CBO . "Set7/9-er-adohcy Complex" . . . . . 96.97 256 100.00 100.00 0.00e+00 . . . . 6628 1 11 no PDB 3CBP . "Set7/9-er-sinefungin Complex" . . . . . 96.97 256 100.00 100.00 0.00e+00 . . . . 6628 1 12 no PDB 3M53 . "Set79 IN COMPLEX WITH TAF10 PEPTIDE AND ADOHCY" . . . . . 98.86 261 98.85 99.23 0.00e+00 . . . . 6628 1 13 no PDB 3M54 . "Set79 Y305F IN COMPLEX WITH TAF10 PEPTIDE AND ADOHCY" . . . . . 98.86 261 98.47 99.23 0.00e+00 . . . . 6628 1 14 no PDB 3M55 . "Set79 Y305F IN COMPLEX WITH TAF10-K189me1 Peptide And Adohcy" . . . . . 98.86 261 98.47 99.23 0.00e+00 . . . . 6628 1 15 no PDB 3M56 . "Set79 Y305F IN COMPLEX WITH TAF10-K189me2 Peptide And Adohcy" . . . . . 98.86 261 98.47 99.23 0.00e+00 . . . . 6628 1 16 no PDB 3M57 . "Set79 Y245A IN COMPLEX WITH TAF10 PEPTIDE AND ADOHCY" . . . . . 98.86 261 98.47 98.85 0.00e+00 . . . . 6628 1 17 no PDB 3M58 . "Set79 Y245A IN COMPLEX WITH TAF10-K189me1 Peptide And Adohcy" . . . . . 98.86 261 98.47 98.85 0.00e+00 . . . . 6628 1 18 no PDB 3M59 . "Set79 Y245A IN COMPLEX WITH TAF10-K189me2 Peptide And Adohcy" . . . . . 98.86 261 98.47 98.85 0.00e+00 . . . . 6628 1 19 no PDB 3M5A . "Set79 Y245A IN COMPLEX WITH TAF10-K189me3 Peptide And Adohcy" . . . . . 98.86 261 98.47 98.85 0.00e+00 . . . . 6628 1 20 no PDB 3OS5 . "Set79-Dnmt1 K142me1 Complex" . . . . . 96.97 256 100.00 100.00 0.00e+00 . . . . 6628 1 21 no PDB 3VUZ . "Crystal Structure Of Histone Methyltransferase Set7/9 In Comlex With Aam-1" . . . . . 96.97 263 100.00 100.00 0.00e+00 . . . . 6628 1 22 no PDB 3VV0 . "Crystal Structure Of Histone Methyltransferase Set7/9 In Comlex With Daam-3" . . . . . 96.97 263 100.00 100.00 0.00e+00 . . . . 6628 1 23 no PDB 4E47 . "Set79 IN COMPLEX WITH INHIBITOR (R)-(3-(3-Cyanophenyl)-1-Oxo-1- (Pyrrolidin-1-Yl)propan-2-Yl)-1,2,3,4-Tetrahydroisoquinoline-6-" . . . . . 97.73 264 100.00 100.00 0.00e+00 . . . . 6628 1 24 no PDB 4J7F . "Set7/9y335paf In Complex With Taf10 Peptide And Adohcy" . . . . . 98.86 261 98.47 98.85 0.00e+00 . . . . 6628 1 25 no PDB 4J7I . "Set7/9y335f In Complex With Taf10 Peptide And Adohcy" . . . . . 98.86 261 98.47 99.23 0.00e+00 . . . . 6628 1 26 no PDB 4J83 . "Set7/9 In Complex With Taf10k189a Peptide And Adomet" . . . . . 98.86 261 98.85 99.23 0.00e+00 . . . . 6628 1 27 no PDB 4J8O . "Set7/9 In Complex With Taf10k189a Peptide And Adohcy" . . . . . 98.86 261 98.85 99.23 0.00e+00 . . . . 6628 1 28 no PDB 4JDS . "Setd7 In Complex With Inhibitor Pf-5426 And S-adenosyl-methionine" . . . . . 97.73 264 100.00 100.00 0.00e+00 . . . . 6628 1 29 no PDB 4JLG . "Setd7 In Complex With Inhibitor (r)-pfi-2 And S-adenosyl-methionine" . . . . . 97.73 264 100.00 100.00 0.00e+00 . . . . 6628 1 30 no DBJ BAB21808 . "KIAA1717 protein [Homo sapiens]" . . . . . 98.11 420 100.00 100.00 0.00e+00 . . . . 6628 1 31 no DBJ BAG11355 . "SET domain-containing protein 7 [synthetic construct]" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 32 no GB AAI21056 . "SET domain containing (lysine methyltransferase) 7 [Homo sapiens]" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 33 no GB AAI21057 . "SET domain containing (lysine methyltransferase) 7 [Homo sapiens]" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 34 no GB AAL56579 . "histone H3-K4 methyltransferase [Homo sapiens]" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 35 no GB AAL69901 . "histone H3 lysine 4 specific methyltransferase [Homo sapiens]" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 36 no GB AAY40937 . "unknown [Homo sapiens]" . . . . . 98.11 309 100.00 100.00 0.00e+00 . . . . 6628 1 37 no REF NP_001244432 . "histone-lysine N-methyltransferase SETD7 [Macaca mulatta]" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 38 no REF NP_085151 . "histone-lysine N-methyltransferase SETD7 [Homo sapiens]" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 39 no REF XP_002745388 . "PREDICTED: histone-lysine N-methyltransferase SETD7 [Callithrix jacchus]" . . . . . 98.11 366 98.84 99.61 0.00e+00 . . . . 6628 1 40 no REF XP_002815202 . "PREDICTED: histone-lysine N-methyltransferase SETD7 [Pongo abelii]" . . . . . 98.11 366 99.23 99.61 0.00e+00 . . . . 6628 1 41 no REF XP_002916185 . "PREDICTED: LOW QUALITY PROTEIN: histone-lysine N-methyltransferase SETD7-like [Ailuropoda melanoleuca]" . . . . . 98.11 457 97.68 100.00 0.00e+00 . . . . 6628 1 42 no SP Q8WTS6 . "RecName: Full=Histone-lysine N-methyltransferase SETD7; AltName: Full=Histone H3-K4 methyltransferase SETD7; Short=H3-K4-HMTase" . . . . . 98.11 366 100.00 100.00 0.00e+00 . . . . 6628 1 43 no TPG DAA20878 . "TPA: KIAA1717 protein-like [Bos taurus]" . . . . . 98.11 456 97.68 99.61 0.00e+00 . . . . 6628 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID set7/9 . 6628 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 1 103 GLY . 6628 1 2 104 PRO . 6628 1 3 105 LEU . 6628 1 4 106 GLY . 6628 1 5 107 SER . 6628 1 6 108 GLY . 6628 1 7 109 GLN . 6628 1 8 110 TYR . 6628 1 9 111 LYS . 6628 1 10 112 ASP . 6628 1 11 113 ASN . 6628 1 12 114 ILE . 6628 1 13 115 ARG . 6628 1 14 116 HIS . 6628 1 15 117 GLY . 6628 1 16 118 VAL . 6628 1 17 119 CYS . 6628 1 18 120 TRP . 6628 1 19 121 ILE . 6628 1 20 122 TYR . 6628 1 21 123 TYR . 6628 1 22 124 PRO . 6628 1 23 125 ASP . 6628 1 24 126 GLY . 6628 1 25 127 GLY . 6628 1 26 128 SER . 6628 1 27 129 LEU . 6628 1 28 130 VAL . 6628 1 29 131 GLY . 6628 1 30 132 GLU . 6628 1 31 133 VAL . 6628 1 32 134 ASN . 6628 1 33 135 GLU . 6628 1 34 136 ASP . 6628 1 35 137 GLY . 6628 1 36 138 GLU . 6628 1 37 139 MET . 6628 1 38 140 THR . 6628 1 39 141 GLY . 6628 1 40 142 GLU . 6628 1 41 143 LYS . 6628 1 42 144 ILE . 6628 1 43 145 ALA . 6628 1 44 146 TYR . 6628 1 45 147 VAL . 6628 1 46 148 TYR . 6628 1 47 149 PRO . 6628 1 48 150 ASP . 6628 1 49 151 GLU . 6628 1 50 152 ARG . 6628 1 51 153 THR . 6628 1 52 154 ALA . 6628 1 53 155 LEU . 6628 1 54 156 TYR . 6628 1 55 157 GLY . 6628 1 56 158 LYS . 6628 1 57 159 PHE . 6628 1 58 160 ILE . 6628 1 59 161 ASP . 6628 1 60 162 GLY . 6628 1 61 163 GLU . 6628 1 62 164 MET . 6628 1 63 165 ILE . 6628 1 64 166 GLU . 6628 1 65 167 GLY . 6628 1 66 168 LYS . 6628 1 67 169 LEU . 6628 1 68 170 ALA . 6628 1 69 171 THR . 6628 1 70 172 LEU . 6628 1 71 173 MET . 6628 1 72 174 SER . 6628 1 73 175 THR . 6628 1 74 176 GLU . 6628 1 75 177 GLU . 6628 1 76 178 GLY . 6628 1 77 179 ARG . 6628 1 78 180 PRO . 6628 1 79 181 HIS . 6628 1 80 182 PHE . 6628 1 81 183 GLU . 6628 1 82 184 LEU . 6628 1 83 185 MET . 6628 1 84 186 PRO . 6628 1 85 187 GLY . 6628 1 86 188 ASN . 6628 1 87 189 SER . 6628 1 88 190 VAL . 6628 1 89 191 TYR . 6628 1 90 192 HIS . 6628 1 91 193 PHE . 6628 1 92 194 ASP . 6628 1 93 195 LYS . 6628 1 94 196 SER . 6628 1 95 197 THR . 6628 1 96 198 SER . 6628 1 97 199 SER . 6628 1 98 200 CYS . 6628 1 99 201 ILE . 6628 1 100 202 SER . 6628 1 101 203 THR . 6628 1 102 204 ASN . 6628 1 103 205 ALA . 6628 1 104 206 LEU . 6628 1 105 207 LEU . 6628 1 106 208 PRO . 6628 1 107 209 ASP . 6628 1 108 210 PRO . 6628 1 109 211 TYR . 6628 1 110 212 GLU . 6628 1 111 213 SER . 6628 1 112 214 GLU . 6628 1 113 215 ARG . 6628 1 114 216 VAL . 6628 1 115 217 TYR . 6628 1 116 218 VAL . 6628 1 117 219 ALA . 6628 1 118 220 GLU . 6628 1 119 221 SER . 6628 1 120 222 LEU . 6628 1 121 223 ILE . 6628 1 122 224 SER . 6628 1 123 225 SER . 6628 1 124 226 ALA . 6628 1 125 227 GLY . 6628 1 126 228 GLU . 6628 1 127 229 GLY . 6628 1 128 230 LEU . 6628 1 129 231 PHE . 6628 1 130 232 SER . 6628 1 131 233 LYS . 6628 1 132 234 VAL . 6628 1 133 235 ALA . 6628 1 134 236 VAL . 6628 1 135 237 GLY . 6628 1 136 238 PRO . 6628 1 137 239 ASN . 6628 1 138 240 THR . 6628 1 139 241 VAL . 6628 1 140 242 MET . 6628 1 141 243 SER . 6628 1 142 244 PHE . 6628 1 143 245 TYR . 6628 1 144 246 ASN . 6628 1 145 247 GLY . 6628 1 146 248 VAL . 6628 1 147 249 ARG . 6628 1 148 250 ILE . 6628 1 149 251 THR . 6628 1 150 252 HIS . 6628 1 151 253 GLN . 6628 1 152 254 GLU . 6628 1 153 255 VAL . 6628 1 154 256 ASP . 6628 1 155 257 SER . 6628 1 156 258 ARG . 6628 1 157 259 ASP . 6628 1 158 260 TRP . 6628 1 159 261 ALA . 6628 1 160 262 LEU . 6628 1 161 263 ASN . 6628 1 162 264 GLY . 6628 1 163 265 ASN . 6628 1 164 266 THR . 6628 1 165 267 LEU . 6628 1 166 268 SER . 6628 1 167 269 LEU . 6628 1 168 270 ASP . 6628 1 169 271 GLU . 6628 1 170 272 GLU . 6628 1 171 273 THR . 6628 1 172 274 VAL . 6628 1 173 275 ILE . 6628 1 174 276 ASP . 6628 1 175 277 VAL . 6628 1 176 278 PRO . 6628 1 177 279 GLU . 6628 1 178 280 PRO . 6628 1 179 281 TYR . 6628 1 180 282 ASN . 6628 1 181 283 HIS . 6628 1 182 284 VAL . 6628 1 183 285 SER . 6628 1 184 286 LYS . 6628 1 185 287 TYR . 6628 1 186 288 CYS . 6628 1 187 289 ALA . 6628 1 188 290 SER . 6628 1 189 291 LEU . 6628 1 190 292 GLY . 6628 1 191 293 HIS . 6628 1 192 294 LYS . 6628 1 193 295 ALA . 6628 1 194 296 ASN . 6628 1 195 297 HIS . 6628 1 196 298 SER . 6628 1 197 299 PHE . 6628 1 198 300 THR . 6628 1 199 301 PRO . 6628 1 200 302 ASN . 6628 1 201 303 CYS . 6628 1 202 304 ILE . 6628 1 203 305 TYR . 6628 1 204 306 ASP . 6628 1 205 307 MET . 6628 1 206 308 PHE . 6628 1 207 309 VAL . 6628 1 208 310 HIS . 6628 1 209 311 PRO . 6628 1 210 312 ARG . 6628 1 211 313 PHE . 6628 1 212 314 GLY . 6628 1 213 315 PRO . 6628 1 214 316 ILE . 6628 1 215 317 LYS . 6628 1 216 318 CYS . 6628 1 217 319 ILE . 6628 1 218 320 ARG . 6628 1 219 321 THR . 6628 1 220 322 LEU . 6628 1 221 323 ARG . 6628 1 222 324 ALA . 6628 1 223 325 VAL . 6628 1 224 326 GLU . 6628 1 225 327 ALA . 6628 1 226 328 ASP . 6628 1 227 329 GLU . 6628 1 228 330 GLU . 6628 1 229 331 LEU . 6628 1 230 332 THR . 6628 1 231 333 VAL . 6628 1 232 334 ALA . 6628 1 233 335 TYR . 6628 1 234 336 GLY . 6628 1 235 337 TYR . 6628 1 236 338 ASP . 6628 1 237 339 HIS . 6628 1 238 340 SER . 6628 1 239 341 PRO . 6628 1 240 342 PRO . 6628 1 241 343 GLY . 6628 1 242 344 LYS . 6628 1 243 345 SER . 6628 1 244 346 GLY . 6628 1 245 347 PRO . 6628 1 246 348 GLU . 6628 1 247 349 ALA . 6628 1 248 350 PRO . 6628 1 249 351 GLU . 6628 1 250 352 TRP . 6628 1 251 353 TYR . 6628 1 252 354 GLN . 6628 1 253 355 VAL . 6628 1 254 356 GLU . 6628 1 255 357 LEU . 6628 1 256 358 LYS . 6628 1 257 359 ALA . 6628 1 258 360 PHE . 6628 1 259 361 GLN . 6628 1 260 362 ALA . 6628 1 261 363 THR . 6628 1 262 364 GLN . 6628 1 263 365 GLN . 6628 1 264 366 LYS . 6628 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 . GLY 1 1 6628 1 . PRO 2 2 6628 1 . LEU 3 3 6628 1 . GLY 4 4 6628 1 . SER 5 5 6628 1 . GLY 6 6 6628 1 . GLN 7 7 6628 1 . TYR 8 8 6628 1 . LYS 9 9 6628 1 . ASP 10 10 6628 1 . ASN 11 11 6628 1 . ILE 12 12 6628 1 . ARG 13 13 6628 1 . HIS 14 14 6628 1 . GLY 15 15 6628 1 . VAL 16 16 6628 1 . CYS 17 17 6628 1 . TRP 18 18 6628 1 . ILE 19 19 6628 1 . TYR 20 20 6628 1 . TYR 21 21 6628 1 . PRO 22 22 6628 1 . ASP 23 23 6628 1 . GLY 24 24 6628 1 . GLY 25 25 6628 1 . SER 26 26 6628 1 . LEU 27 27 6628 1 . VAL 28 28 6628 1 . GLY 29 29 6628 1 . GLU 30 30 6628 1 . VAL 31 31 6628 1 . ASN 32 32 6628 1 . GLU 33 33 6628 1 . ASP 34 34 6628 1 . GLY 35 35 6628 1 . GLU 36 36 6628 1 . MET 37 37 6628 1 . THR 38 38 6628 1 . GLY 39 39 6628 1 . GLU 40 40 6628 1 . LYS 41 41 6628 1 . ILE 42 42 6628 1 . ALA 43 43 6628 1 . TYR 44 44 6628 1 . VAL 45 45 6628 1 . TYR 46 46 6628 1 . PRO 47 47 6628 1 . ASP 48 48 6628 1 . GLU 49 49 6628 1 . ARG 50 50 6628 1 . THR 51 51 6628 1 . ALA 52 52 6628 1 . LEU 53 53 6628 1 . TYR 54 54 6628 1 . GLY 55 55 6628 1 . LYS 56 56 6628 1 . PHE 57 57 6628 1 . ILE 58 58 6628 1 . ASP 59 59 6628 1 . GLY 60 60 6628 1 . GLU 61 61 6628 1 . MET 62 62 6628 1 . ILE 63 63 6628 1 . GLU 64 64 6628 1 . GLY 65 65 6628 1 . LYS 66 66 6628 1 . LEU 67 67 6628 1 . ALA 68 68 6628 1 . THR 69 69 6628 1 . LEU 70 70 6628 1 . MET 71 71 6628 1 . SER 72 72 6628 1 . THR 73 73 6628 1 . GLU 74 74 6628 1 . GLU 75 75 6628 1 . GLY 76 76 6628 1 . ARG 77 77 6628 1 . PRO 78 78 6628 1 . HIS 79 79 6628 1 . PHE 80 80 6628 1 . GLU 81 81 6628 1 . LEU 82 82 6628 1 . MET 83 83 6628 1 . PRO 84 84 6628 1 . GLY 85 85 6628 1 . ASN 86 86 6628 1 . SER 87 87 6628 1 . VAL 88 88 6628 1 . TYR 89 89 6628 1 . HIS 90 90 6628 1 . PHE 91 91 6628 1 . ASP 92 92 6628 1 . LYS 93 93 6628 1 . SER 94 94 6628 1 . THR 95 95 6628 1 . SER 96 96 6628 1 . SER 97 97 6628 1 . CYS 98 98 6628 1 . ILE 99 99 6628 1 . SER 100 100 6628 1 . THR 101 101 6628 1 . ASN 102 102 6628 1 . ALA 103 103 6628 1 . LEU 104 104 6628 1 . LEU 105 105 6628 1 . PRO 106 106 6628 1 . ASP 107 107 6628 1 . PRO 108 108 6628 1 . TYR 109 109 6628 1 . GLU 110 110 6628 1 . SER 111 111 6628 1 . GLU 112 112 6628 1 . ARG 113 113 6628 1 . VAL 114 114 6628 1 . TYR 115 115 6628 1 . VAL 116 116 6628 1 . ALA 117 117 6628 1 . GLU 118 118 6628 1 . SER 119 119 6628 1 . LEU 120 120 6628 1 . ILE 121 121 6628 1 . SER 122 122 6628 1 . SER 123 123 6628 1 . ALA 124 124 6628 1 . GLY 125 125 6628 1 . GLU 126 126 6628 1 . GLY 127 127 6628 1 . LEU 128 128 6628 1 . PHE 129 129 6628 1 . SER 130 130 6628 1 . LYS 131 131 6628 1 . VAL 132 132 6628 1 . ALA 133 133 6628 1 . VAL 134 134 6628 1 . GLY 135 135 6628 1 . PRO 136 136 6628 1 . ASN 137 137 6628 1 . THR 138 138 6628 1 . VAL 139 139 6628 1 . MET 140 140 6628 1 . SER 141 141 6628 1 . PHE 142 142 6628 1 . TYR 143 143 6628 1 . ASN 144 144 6628 1 . GLY 145 145 6628 1 . VAL 146 146 6628 1 . ARG 147 147 6628 1 . ILE 148 148 6628 1 . THR 149 149 6628 1 . HIS 150 150 6628 1 . GLN 151 151 6628 1 . GLU 152 152 6628 1 . VAL 153 153 6628 1 . ASP 154 154 6628 1 . SER 155 155 6628 1 . ARG 156 156 6628 1 . ASP 157 157 6628 1 . TRP 158 158 6628 1 . ALA 159 159 6628 1 . LEU 160 160 6628 1 . ASN 161 161 6628 1 . GLY 162 162 6628 1 . ASN 163 163 6628 1 . THR 164 164 6628 1 . LEU 165 165 6628 1 . SER 166 166 6628 1 . LEU 167 167 6628 1 . ASP 168 168 6628 1 . GLU 169 169 6628 1 . GLU 170 170 6628 1 . THR 171 171 6628 1 . VAL 172 172 6628 1 . ILE 173 173 6628 1 . ASP 174 174 6628 1 . VAL 175 175 6628 1 . PRO 176 176 6628 1 . GLU 177 177 6628 1 . PRO 178 178 6628 1 . TYR 179 179 6628 1 . ASN 180 180 6628 1 . HIS 181 181 6628 1 . VAL 182 182 6628 1 . SER 183 183 6628 1 . LYS 184 184 6628 1 . TYR 185 185 6628 1 . CYS 186 186 6628 1 . ALA 187 187 6628 1 . SER 188 188 6628 1 . LEU 189 189 6628 1 . GLY 190 190 6628 1 . HIS 191 191 6628 1 . LYS 192 192 6628 1 . ALA 193 193 6628 1 . ASN 194 194 6628 1 . HIS 195 195 6628 1 . SER 196 196 6628 1 . PHE 197 197 6628 1 . THR 198 198 6628 1 . PRO 199 199 6628 1 . ASN 200 200 6628 1 . CYS 201 201 6628 1 . ILE 202 202 6628 1 . TYR 203 203 6628 1 . ASP 204 204 6628 1 . MET 205 205 6628 1 . PHE 206 206 6628 1 . VAL 207 207 6628 1 . HIS 208 208 6628 1 . PRO 209 209 6628 1 . ARG 210 210 6628 1 . PHE 211 211 6628 1 . GLY 212 212 6628 1 . PRO 213 213 6628 1 . ILE 214 214 6628 1 . LYS 215 215 6628 1 . CYS 216 216 6628 1 . ILE 217 217 6628 1 . ARG 218 218 6628 1 . THR 219 219 6628 1 . LEU 220 220 6628 1 . ARG 221 221 6628 1 . ALA 222 222 6628 1 . VAL 223 223 6628 1 . GLU 224 224 6628 1 . ALA 225 225 6628 1 . ASP 226 226 6628 1 . GLU 227 227 6628 1 . GLU 228 228 6628 1 . LEU 229 229 6628 1 . THR 230 230 6628 1 . VAL 231 231 6628 1 . ALA 232 232 6628 1 . TYR 233 233 6628 1 . GLY 234 234 6628 1 . TYR 235 235 6628 1 . ASP 236 236 6628 1 . HIS 237 237 6628 1 . SER 238 238 6628 1 . PRO 239 239 6628 1 . PRO 240 240 6628 1 . GLY 241 241 6628 1 . LYS 242 242 6628 1 . SER 243 243 6628 1 . GLY 244 244 6628 1 . PRO 245 245 6628 1 . GLU 246 246 6628 1 . ALA 247 247 6628 1 . PRO 248 248 6628 1 . GLU 249 249 6628 1 . TRP 250 250 6628 1 . TYR 251 251 6628 1 . GLN 252 252 6628 1 . VAL 253 253 6628 1 . GLU 254 254 6628 1 . LEU 255 255 6628 1 . LYS 256 256 6628 1 . ALA 257 257 6628 1 . PHE 258 258 6628 1 . GLN 259 259 6628 1 . ALA 260 260 6628 1 . THR 261 261 6628 1 . GLN 262 262 6628 1 . GLN 263 263 6628 1 . LYS 264 264 6628 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 6628 _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 $Set7-9_polypeptide . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6628 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 6628 _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 $Set7-9_polypeptide . 'recombinant technology' . 'E. Coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6628 _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 set7/9 '[U-98% 13C; U-99% 15N; U-98% 2H]' . . 1 $Set7-9_polypeptide . . 0.5 . . mM . . . . 6628 1 2 Tris . . . . . . . 20 . . mM . . . . 6628 1 3 TCEP . . . . . . . 0.5 . . mM . . . . 6628 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 6628 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.02 M 6628 1 pH 7.0 0.02 pH 6628 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6628 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6628 _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 1H{15N}-TROSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6628 1 2 TROSY-HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6628 1 3 TROSY-HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6628 1 4 TROSY-HN(CA)CO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6628 1 5 TROSY-HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6628 1 6 TROSY-HN(CA)CB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6628 1 7 TROSY-HN(COCA)CB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6628 1 stop_ save_ save_1H{15N}-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H{15N}-TROSY _NMR_spec_expt.Entry_ID 6628 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H{15N}-TROSY _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 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _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 6628 _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 . . . . . . . . . 6628 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6628 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6628 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 6628 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 isotropic 6628 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY effect' N . 0.58 0.0067 6628 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 2 2 PRO CA C 13 62.49 0.2 . 1 . . . . 104 PRO CA . 6628 1 2 . 1 1 2 2 PRO CB C 13 32.64 0.2 . 1 . . . . 104 PRO CB . 6628 1 3 . 1 1 3 3 LEU H H 1 9.11 0.2 . 1 . . . . 105 LEU H . 6628 1 4 . 1 1 3 3 LEU CA C 13 52.13 0.2 . 1 . . . . 105 LEU CA . 6628 1 5 . 1 1 3 3 LEU CB C 13 43.20 0.2 . 1 . . . . 105 LEU CB . 6628 1 6 . 1 1 3 3 LEU N N 15 124.69 0.2 . 1 . . . . 105 LEU N . 6628 1 7 . 1 1 6 6 GLY CA C 13 45.15 0.2 . 1 . . . . 108 GLY CA . 6628 1 8 . 1 1 7 7 GLN H H 1 8.203 0.01 . 1 . . . . 109 GLN H . 6628 1 9 . 1 1 7 7 GLN CA C 13 55.58 0.2 . 1 . . . . 109 GLN CA . 6628 1 10 . 1 1 7 7 GLN CB C 13 29.06 0.2 . 1 . . . . 109 GLN CB . 6628 1 11 . 1 1 7 7 GLN N N 15 119.130 0.2 . 1 . . . . 109 GLN N . 6628 1 12 . 1 1 8 8 TYR CA C 13 56.62 0.2 . 1 . . . . 110 TYR CA . 6628 1 13 . 1 1 8 8 TYR CB C 13 39.55 0.2 . 1 . . . . 110 TYR CB . 6628 1 14 . 1 1 9 9 LYS H H 1 8.704 0.01 . 1 . . . . 111 LYS H . 6628 1 15 . 1 1 9 9 LYS CA C 13 60.66 0.2 . 1 . . . . 111 LYS CA . 6628 1 16 . 1 1 9 9 LYS CB C 13 31.34 0.2 . 1 . . . . 111 LYS CB . 6628 1 17 . 1 1 9 9 LYS N N 15 129.919 0.2 . 1 . . . . 111 LYS N . 6628 1 18 . 1 1 10 10 ASP H H 1 8.828 0.01 . 1 . . . . 112 ASP H . 6628 1 19 . 1 1 10 10 ASP CA C 13 58.32 0.2 . 1 . . . . 112 ASP CA . 6628 1 20 . 1 1 10 10 ASP CB C 13 37.75 0.2 . 1 . . . . 112 ASP CB . 6628 1 21 . 1 1 10 10 ASP N N 15 123.142 0.2 . 1 . . . . 112 ASP N . 6628 1 22 . 1 1 11 11 ASN CA C 13 54.73 0.2 . 1 . . . . 113 ASN CA . 6628 1 23 . 1 1 11 11 ASN CB C 13 40.79 0.2 . 1 . . . . 113 ASN CB . 6628 1 24 . 1 1 12 12 ILE H H 1 8.295 0.2 . 1 . . . . 114 ILE H . 6628 1 25 . 1 1 12 12 ILE CA C 13 53.50 0.2 . 1 . . . . 114 ILE CA . 6628 1 26 . 1 1 12 12 ILE CB C 13 38.77 0.2 . 1 . . . . 114 ILE CB . 6628 1 27 . 1 1 12 12 ILE N N 15 117.647 0.2 . 1 . . . . 114 ILE N . 6628 1 28 . 1 1 13 13 ARG H H 1 7.929 0.01 . 1 . . . . 115 ARG H . 6628 1 29 . 1 1 13 13 ARG CA C 13 60.99 0.2 . 1 . . . . 115 ARG CA . 6628 1 30 . 1 1 13 13 ARG CB C 13 37.79 0.2 . 1 . . . . 115 ARG CB . 6628 1 31 . 1 1 13 13 ARG N N 15 126.682 0.2 . 1 . . . . 115 ARG N . 6628 1 32 . 1 1 14 14 HIS H H 1 8.465 0.01 . 1 . . . . 116 HIS H . 6628 1 33 . 1 1 14 14 HIS CA C 13 55.58 0.2 . 1 . . . . 116 HIS CA . 6628 1 34 . 1 1 14 14 HIS CB C 13 30.49 0.2 . 1 . . . . 116 HIS CB . 6628 1 35 . 1 1 14 14 HIS N N 15 126.143 0.2 . 1 . . . . 116 HIS N . 6628 1 36 . 1 1 15 15 GLY H H 1 8.428 0.01 . 1 . . . . 117 GLY H . 6628 1 37 . 1 1 15 15 GLY CA C 13 45.02 0.2 . 1 . . . . 117 GLY CA . 6628 1 38 . 1 1 15 15 GLY N N 15 109.150 0.2 . 1 . . . . 117 GLY N . 6628 1 39 . 1 1 16 16 VAL H H 1 8.166 0.01 . 1 . . . . 118 VAL H . 6628 1 40 . 1 1 16 16 VAL CA C 13 62.29 0.2 . 1 . . . . 118 VAL CA . 6628 1 41 . 1 1 16 16 VAL CB C 13 31.47 0.2 . 1 . . . . 118 VAL CB . 6628 1 42 . 1 1 16 16 VAL N N 15 121.068 0.2 . 1 . . . . 118 VAL N . 6628 1 43 . 1 1 17 17 CYS H H 1 8.398 0.01 . 1 . . . . 119 CYS H . 6628 1 44 . 1 1 17 17 CYS CA C 13 57.67 0.2 . 1 . . . . 119 CYS CA . 6628 1 45 . 1 1 17 17 CYS CB C 13 29.91 0.2 . 1 . . . . 119 CYS CB . 6628 1 46 . 1 1 17 17 CYS N N 15 127.491 0.2 . 1 . . . . 119 CYS N . 6628 1 47 . 1 1 18 18 TRP H H 1 8.402 0.01 . 1 . . . . 120 TRP H . 6628 1 48 . 1 1 18 18 TRP CA C 13 55.91 0.2 . 1 . . . . 120 TRP CA . 6628 1 49 . 1 1 18 18 TRP CB C 13 30.75 0.2 . 1 . . . . 120 TRP CB . 6628 1 50 . 1 1 18 18 TRP N N 15 125.627 0.2 . 1 . . . . 120 TRP N . 6628 1 51 . 1 1 19 19 ILE H H 1 9.248 0.01 . 1 . . . . 121 ILE H . 6628 1 52 . 1 1 19 19 ILE CA C 13 60.01 0.2 . 1 . . . . 121 ILE CA . 6628 1 53 . 1 1 19 19 ILE CB C 13 39.22 0.2 . 1 . . . . 121 ILE CB . 6628 1 54 . 1 1 19 19 ILE N N 15 125.595 0.2 . 1 . . . . 121 ILE N . 6628 1 55 . 1 1 20 20 TYR H H 1 8.516 0.01 . 1 . . . . 122 TYR H . 6628 1 56 . 1 1 20 20 TYR CA C 13 57.34 0.2 . 1 . . . . 122 TYR CA . 6628 1 57 . 1 1 20 20 TYR CB C 13 39.16 0.2 . 1 . . . . 122 TYR CB . 6628 1 58 . 1 1 20 20 TYR N N 15 124.794 0.2 . 1 . . . . 122 TYR N . 6628 1 59 . 1 1 21 21 TYR H H 1 8.773 0.01 . 1 . . . . 123 TYR H . 6628 1 60 . 1 1 21 21 TYR CA C 13 55.78 0.2 . 1 . . . . 123 TYR CA . 6628 1 61 . 1 1 21 21 TYR CB C 13 36.49 0.2 . 1 . . . . 123 TYR CB . 6628 1 62 . 1 1 21 21 TYR N N 15 124.206 0.2 . 1 . . . . 123 TYR N . 6628 1 63 . 1 1 22 22 PRO CA C 13 64.96 0.2 . 1 . . . . 124 PRO CA . 6628 1 64 . 1 1 22 22 PRO CB C 13 30.69 0.2 . 1 . . . . 124 PRO CB . 6628 1 65 . 1 1 23 23 ASP H H 1 6.686 0.01 . 1 . . . . 125 ASP H . 6628 1 66 . 1 1 23 23 ASP CA C 13 54.28 0.2 . 1 . . . . 125 ASP CA . 6628 1 67 . 1 1 23 23 ASP CB C 13 42.81 0.2 . 1 . . . . 125 ASP CB . 6628 1 68 . 1 1 23 23 ASP N N 15 112.260 0.2 . 1 . . . . 125 ASP N . 6628 1 69 . 1 1 24 24 GLY H H 1 7.967 0.01 . 1 . . . . 126 GLY H . 6628 1 70 . 1 1 24 24 GLY CA C 13 44.76 0.2 . 1 . . . . 126 GLY CA . 6628 1 71 . 1 1 24 24 GLY N N 15 108.819 0.2 . 1 . . . . 126 GLY N . 6628 1 72 . 1 1 25 25 GLY H H 1 9.239 0.01 . 1 . . . . 127 GLY H . 6628 1 73 . 1 1 25 25 GLY CA C 13 44.37 0.2 . 1 . . . . 127 GLY CA . 6628 1 74 . 1 1 25 25 GLY N N 15 112.796 0.2 . 1 . . . . 127 GLY N . 6628 1 75 . 1 1 26 26 SER H H 1 8.415 0.01 . 1 . . . . 128 SER H . 6628 1 76 . 1 1 26 26 SER CA C 13 57.67 0.2 . 1 . . . . 128 SER CA . 6628 1 77 . 1 1 26 26 SER CB C 13 66.20 0.2 . 1 . . . . 128 SER CB . 6628 1 78 . 1 1 26 26 SER N N 15 113.466 0.2 . 1 . . . . 128 SER N . 6628 1 79 . 1 1 27 27 LEU H H 1 8.479 0.01 . 1 . . . . 129 LEU H . 6628 1 80 . 1 1 27 27 LEU CA C 13 53.04 0.2 . 1 . . . . 129 LEU CA . 6628 1 81 . 1 1 27 27 LEU CB C 13 45.35 0.2 . 1 . . . . 129 LEU CB . 6628 1 82 . 1 1 27 27 LEU N N 15 120.230 0.2 . 1 . . . . 129 LEU N . 6628 1 83 . 1 1 28 28 VAL H H 1 8.767 0.01 . 1 . . . . 130 VAL H . 6628 1 84 . 1 1 28 28 VAL CA C 13 57.80 0.2 . 1 . . . . 130 VAL CA . 6628 1 85 . 1 1 28 28 VAL CB C 13 33.36 0.2 . 1 . . . . 130 VAL CB . 6628 1 86 . 1 1 28 28 VAL N N 15 120.209 0.2 . 1 . . . . 130 VAL N . 6628 1 87 . 1 1 29 29 GLY H H 1 7.938 0.01 . 1 . . . . 131 GLY H . 6628 1 88 . 1 1 29 29 GLY CA C 13 44.50 0.2 . 1 . . . . 131 GLY CA . 6628 1 89 . 1 1 29 29 GLY N N 15 112.311 0.2 . 1 . . . . 131 GLY N . 6628 1 90 . 1 1 30 30 GLU H H 1 8.281 0.01 . 1 . . . . 132 GLU H . 6628 1 91 . 1 1 30 30 GLU CA C 13 55.58 0.2 . 1 . . . . 132 GLU CA . 6628 1 92 . 1 1 30 30 GLU CB C 13 29.58 0.2 . 1 . . . . 132 GLU CB . 6628 1 93 . 1 1 30 30 GLU N N 15 122.097 0.2 . 1 . . . . 132 GLU N . 6628 1 94 . 1 1 31 31 VAL H H 1 7.601 0.01 . 1 . . . . 133 VAL H . 6628 1 95 . 1 1 31 31 VAL CA C 13 60.40 0.2 . 1 . . . . 133 VAL CA . 6628 1 96 . 1 1 31 31 VAL CB C 13 32.38 0.2 . 1 . . . . 133 VAL CB . 6628 1 97 . 1 1 31 31 VAL N N 15 118.860 0.2 . 1 . . . . 133 VAL N . 6628 1 98 . 1 1 32 32 ASN H H 1 8.433 0.01 . 1 . . . . 134 ASN H . 6628 1 99 . 1 1 32 32 ASN CA C 13 51.21 0.2 . 1 . . . . 134 ASN CA . 6628 1 100 . 1 1 32 32 ASN CB C 13 38.11 0.2 . 1 . . . . 134 ASN CB . 6628 1 101 . 1 1 32 32 ASN N N 15 120.237 0.2 . 1 . . . . 134 ASN N . 6628 1 102 . 1 1 33 33 GLU H H 1 9.043 0.01 . 1 . . . . 135 GLU H . 6628 1 103 . 1 1 33 33 GLU CA C 13 59.16 0.2 . 1 . . . . 135 GLU CA . 6628 1 104 . 1 1 33 33 GLU CB C 13 28.41 0.2 . 1 . . . . 135 GLU CB . 6628 1 105 . 1 1 33 33 GLU N N 15 118.573 0.2 . 1 . . . . 135 GLU N . 6628 1 106 . 1 1 34 34 ASP H H 1 7.269 0.01 . 1 . . . . 136 ASP H . 6628 1 107 . 1 1 34 34 ASP CA C 13 54.15 0.2 . 1 . . . . 136 ASP CA . 6628 1 108 . 1 1 34 34 ASP CB C 13 41.44 0.2 . 1 . . . . 136 ASP CB . 6628 1 109 . 1 1 34 34 ASP N N 15 117.228 0.2 . 1 . . . . 136 ASP N . 6628 1 110 . 1 1 35 35 GLY H H 1 8.270 0.01 . 1 . . . . 137 GLY H . 6628 1 111 . 1 1 35 35 GLY CA C 13 45.58 0.2 . 1 . . . . 137 GLY CA . 6628 1 112 . 1 1 35 35 GLY N N 15 109.106 0.2 . 1 . . . . 137 GLY N . 6628 1 113 . 1 1 36 36 GLU H H 1 7.877 0.01 . 1 . . . . 138 GLU H . 6628 1 114 . 1 1 36 36 GLU CA C 13 54.47 0.2 . 1 . . . . 138 GLU CA . 6628 1 115 . 1 1 36 36 GLU CB C 13 31.08 0.2 . 1 . . . . 138 GLU CB . 6628 1 116 . 1 1 36 36 GLU N N 15 119.010 0.2 . 1 . . . . 138 GLU N . 6628 1 117 . 1 1 37 37 MET H H 1 9.249 0.01 . 1 . . . . 139 MET H . 6628 1 118 . 1 1 37 37 MET CA C 13 53.10 0.2 . 1 . . . . 139 MET CA . 6628 1 119 . 1 1 37 37 MET CB C 13 28.60 0.2 . 1 . . . . 139 MET CB . 6628 1 120 . 1 1 37 37 MET N N 15 125.064 0.2 . 1 . . . . 139 MET N . 6628 1 121 . 1 1 38 38 THR H H 1 7.586 0.01 . 1 . . . . 140 THR H . 6628 1 122 . 1 1 38 38 THR CA C 13 59.56 0.2 . 1 . . . . 140 THR CA . 6628 1 123 . 1 1 38 38 THR CB C 13 72.13 0.2 . 1 . . . . 140 THR CB . 6628 1 124 . 1 1 38 38 THR N N 15 122.527 0.2 . 1 . . . . 140 THR N . 6628 1 125 . 1 1 39 39 GLY H H 1 8.807 0.01 . 1 . . . . 141 GLY H . 6628 1 126 . 1 1 39 39 GLY CA C 13 44.70 0.2 . 1 . . . . 141 GLY CA . 6628 1 127 . 1 1 39 39 GLY N N 15 115.354 0.2 . 1 . . . . 141 GLY N . 6628 1 128 . 1 1 41 41 LYS CA C 13 54.15 0.2 . 1 . . . . 143 LYS CA . 6628 1 129 . 1 1 41 41 LYS CB C 13 31.54 0.2 . 1 . . . . 143 LYS CB . 6628 1 130 . 1 1 42 42 ILE H H 1 7.929 0.01 . 1 . . . . 144 ILE H . 6628 1 131 . 1 1 42 42 ILE CA C 13 58.38 0.2 . 1 . . . . 144 ILE CA . 6628 1 132 . 1 1 42 42 ILE CB C 13 37.46 0.2 . 1 . . . . 144 ILE CB . 6628 1 133 . 1 1 42 42 ILE N N 15 126.682 0.2 . 1 . . . . 144 ILE N . 6628 1 134 . 1 1 43 43 ALA H H 1 8.002 0.01 . 1 . . . . 145 ALA H . 6628 1 135 . 1 1 43 43 ALA CA C 13 49.78 0.2 . 1 . . . . 145 ALA CA . 6628 1 136 . 1 1 43 43 ALA CB C 13 23.32 0.2 . 1 . . . . 145 ALA CB . 6628 1 137 . 1 1 43 43 ALA N N 15 124.524 0.2 . 1 . . . . 145 ALA N . 6628 1 138 . 1 1 44 44 TYR H H 1 8.003 0.01 . 1 . . . . 146 TYR H . 6628 1 139 . 1 1 44 44 TYR CA C 13 56.23 0.2 . 1 . . . . 146 TYR CA . 6628 1 140 . 1 1 44 44 TYR CB C 13 37.07 0.2 . 1 . . . . 146 TYR CB . 6628 1 141 . 1 1 44 44 TYR N N 15 120.479 0.2 . 1 . . . . 146 TYR N . 6628 1 142 . 1 1 45 45 VAL H H 1 8.291 0.01 . 1 . . . . 147 VAL H . 6628 1 143 . 1 1 45 45 VAL CA C 13 62.83 0.2 . 1 . . . . 147 VAL CA . 6628 1 144 . 1 1 45 45 VAL CB C 13 31.75 0.2 . 1 . . . . 147 VAL CB . 6628 1 145 . 1 1 45 45 VAL N N 15 122.097 0.2 . 1 . . . . 147 VAL N . 6628 1 146 . 1 1 46 46 TYR H H 1 7.456 0.01 . 1 . . . . 148 TYR H . 6628 1 147 . 1 1 46 46 TYR CA C 13 54.06 0.2 . 1 . . . . 148 TYR CA . 6628 1 148 . 1 1 46 46 TYR CB C 13 37.51 0.2 . 1 . . . . 148 TYR CB . 6628 1 149 . 1 1 46 46 TYR N N 15 117.217 0.2 . 1 . . . . 148 TYR N . 6628 1 150 . 1 1 47 47 PRO CA C 13 64.31 0.2 . 1 . . . . 149 PRO CA . 6628 1 151 . 1 1 47 47 PRO CB C 13 31.93 0.2 . 1 . . . . 149 PRO CB . 6628 1 152 . 1 1 48 48 ASP H H 1 7.254 0.01 . 1 . . . . 150 ASP H . 6628 1 153 . 1 1 48 48 ASP CA C 13 54.15 0.2 . 1 . . . . 150 ASP CA . 6628 1 154 . 1 1 48 48 ASP CB C 13 39.41 0.2 . 1 . . . . 150 ASP CB . 6628 1 155 . 1 1 48 48 ASP N N 15 114.749 0.2 . 1 . . . . 150 ASP N . 6628 1 156 . 1 1 49 49 GLU H H 1 8.837 0.01 . 1 . . . . 151 GLU H . 6628 1 157 . 1 1 49 49 GLU CA C 13 57.99 0.2 . 1 . . . . 151 GLU CA . 6628 1 158 . 1 1 49 49 GLU CB C 13 27.10 0.2 . 1 . . . . 151 GLU CB . 6628 1 159 . 1 1 49 49 GLU N N 15 114.594 0.2 . 1 . . . . 151 GLU N . 6628 1 160 . 1 1 50 50 ARG H H 1 7.939 0.2 . 1 . . . . 152 ARG H . 6628 1 161 . 1 1 50 50 ARG CA C 13 57.80 0.2 . 1 . . . . 152 ARG CA . 6628 1 162 . 1 1 50 50 ARG CB C 13 33.95 0.2 . 1 . . . . 152 ARG CB . 6628 1 163 . 1 1 50 50 ARG N N 15 116.034 0.2 . 1 . . . . 152 ARG N . 6628 1 164 . 1 1 51 51 THR H H 1 10.073 0.01 . 1 . . . . 153 THR H . 6628 1 165 . 1 1 51 51 THR CA C 13 64.83 0.2 . 1 . . . . 153 THR CA . 6628 1 166 . 1 1 51 51 THR CB C 13 66.85 0.2 . 1 . . . . 153 THR CB . 6628 1 167 . 1 1 51 51 THR N N 15 122.549 0.2 . 1 . . . . 153 THR N . 6628 1 168 . 1 1 52 52 ALA H H 1 8.972 0.01 . 1 . . . . 154 ALA H . 6628 1 169 . 1 1 52 52 ALA CA C 13 49.98 0.2 . 1 . . . . 154 ALA CA . 6628 1 170 . 1 1 52 52 ALA CB C 13 24.56 0.2 . 1 . . . . 154 ALA CB . 6628 1 171 . 1 1 52 52 ALA N N 15 130.145 0.2 . 1 . . . . 154 ALA N . 6628 1 172 . 1 1 53 53 LEU H H 1 9.412 0.01 . 1 . . . . 155 LEU H . 6628 1 173 . 1 1 53 53 LEU CA C 13 53.10 0.2 . 1 . . . . 155 LEU CA . 6628 1 174 . 1 1 53 53 LEU CB C 13 42.94 0.2 . 1 . . . . 155 LEU CB . 6628 1 175 . 1 1 53 53 LEU N N 15 119.939 0.2 . 1 . . . . 155 LEU N . 6628 1 176 . 1 1 54 54 TYR H H 1 9.452 0.01 . 1 . . . . 156 TYR H . 6628 1 177 . 1 1 54 54 TYR CA C 13 55.39 0.2 . 1 . . . . 156 TYR CA . 6628 1 178 . 1 1 54 54 TYR CB C 13 42.87 0.2 . 1 . . . . 156 TYR CB . 6628 1 179 . 1 1 54 54 TYR N N 15 124.995 0.2 . 1 . . . . 156 TYR N . 6628 1 180 . 1 1 55 55 GLY H H 1 9.657 0.01 . 1 . . . . 157 GLY H . 6628 1 181 . 1 1 55 55 GLY CA C 13 46.46 0.2 . 1 . . . . 157 GLY CA . 6628 1 182 . 1 1 55 55 GLY N N 15 119.543 0.2 . 1 . . . . 157 GLY N . 6628 1 183 . 1 1 56 56 LYS H H 1 7.796 0.01 . 1 . . . . 158 LYS H . 6628 1 184 . 1 1 56 56 LYS CA C 13 55.71 0.2 . 1 . . . . 158 LYS CA . 6628 1 185 . 1 1 56 56 LYS CB C 13 33.56 0.2 . 1 . . . . 158 LYS CB . 6628 1 186 . 1 1 56 56 LYS N N 15 124.497 0.2 . 1 . . . . 158 LYS N . 6628 1 187 . 1 1 57 57 PHE H H 1 8.908 0.01 . 1 . . . . 159 PHE H . 6628 1 188 . 1 1 57 57 PHE CA C 13 55.78 0.2 . 1 . . . . 159 PHE CA . 6628 1 189 . 1 1 57 57 PHE CB C 13 43.33 0.2 . 1 . . . . 159 PHE CB . 6628 1 190 . 1 1 57 57 PHE N N 15 128.301 0.2 . 1 . . . . 159 PHE N . 6628 1 191 . 1 1 58 58 ILE H H 1 8.893 0.01 . 1 . . . . 160 ILE H . 6628 1 192 . 1 1 58 58 ILE CA C 13 60.99 0.2 . 1 . . . . 160 ILE CA . 6628 1 193 . 1 1 58 58 ILE CB C 13 40.14 0.2 . 1 . . . . 160 ILE CB . 6628 1 194 . 1 1 58 58 ILE N N 15 120.119 0.2 . 1 . . . . 160 ILE N . 6628 1 195 . 1 1 59 59 ASP H H 1 10.027 0.01 . 1 . . . . 161 ASP H . 6628 1 196 . 1 1 59 59 ASP CA C 13 54.54 0.2 . 1 . . . . 161 ASP CA . 6628 1 197 . 1 1 59 59 ASP CB C 13 39.09 0.2 . 1 . . . . 161 ASP CB . 6628 1 198 . 1 1 59 59 ASP N N 15 134.774 0.2 . 1 . . . . 161 ASP N . 6628 1 199 . 1 1 60 60 GLY H H 1 8.429 0.01 . 1 . . . . 162 GLY H . 6628 1 200 . 1 1 60 60 GLY CA C 13 45.68 0.2 . 1 . . . . 162 GLY CA . 6628 1 201 . 1 1 60 60 GLY N N 15 101.867 0.2 . 1 . . . . 162 GLY N . 6628 1 202 . 1 1 61 61 GLU H H 1 8.204 0.01 . 1 . . . . 163 GLU H . 6628 1 203 . 1 1 61 61 GLU CA C 13 54.73 0.2 . 1 . . . . 163 GLU CA . 6628 1 204 . 1 1 61 61 GLU CB C 13 30.62 0.2 . 1 . . . . 163 GLU CB . 6628 1 205 . 1 1 61 61 GLU N N 15 124.255 0.2 . 1 . . . . 163 GLU N . 6628 1 206 . 1 1 62 62 MET H H 1 9.072 0.01 . 1 . . . . 164 MET H . 6628 1 207 . 1 1 62 62 MET CA C 13 57.08 0.2 . 1 . . . . 164 MET CA . 6628 1 208 . 1 1 62 62 MET CB C 13 32.84 0.2 . 1 . . . . 164 MET CB . 6628 1 209 . 1 1 62 62 MET N N 15 128.250 0.2 . 1 . . . . 164 MET N . 6628 1 210 . 1 1 63 63 ILE H H 1 8.598 0.01 . 1 . . . . 165 ILE H . 6628 1 211 . 1 1 63 63 ILE CA C 13 60.47 0.2 . 1 . . . . 165 ILE CA . 6628 1 212 . 1 1 63 63 ILE N N 15 132.368 0.2 . 1 . . . . 165 ILE N . 6628 1 213 . 1 1 64 64 GLU H H 1 7.723 0.01 . 1 . . . . 166 GLU H . 6628 1 214 . 1 1 64 64 GLU CA C 13 56.30 0.2 . 1 . . . . 166 GLU CA . 6628 1 215 . 1 1 64 64 GLU CB C 13 31.67 0.2 . 1 . . . . 166 GLU CB . 6628 1 216 . 1 1 64 64 GLU N N 15 118.337 0.2 . 1 . . . . 166 GLU N . 6628 1 217 . 1 1 65 65 GLY H H 1 9.328 0.01 . 1 . . . . 167 GLY H . 6628 1 218 . 1 1 65 65 GLY CA C 13 43.59 0.2 . 1 . . . . 167 GLY CA . 6628 1 219 . 1 1 65 65 GLY N N 15 115.623 0.2 . 1 . . . . 167 GLY N . 6628 1 220 . 1 1 66 66 LYS H H 1 8.934 0.01 . 1 . . . . 168 LYS H . 6628 1 221 . 1 1 66 66 LYS CA C 13 55.06 0.2 . 1 . . . . 168 LYS CA . 6628 1 222 . 1 1 66 66 LYS CB C 13 34.73 0.2 . 1 . . . . 168 LYS CB . 6628 1 223 . 1 1 66 66 LYS N N 15 123.989 0.2 . 1 . . . . 168 LYS N . 6628 1 224 . 1 1 67 67 LEU H H 1 8.697 0.01 . 1 . . . . 169 LEU H . 6628 1 225 . 1 1 67 67 LEU CA C 13 56.43 0.2 . 1 . . . . 169 LEU CA . 6628 1 226 . 1 1 67 67 LEU CB C 13 42.09 0.2 . 1 . . . . 169 LEU CB . 6628 1 227 . 1 1 67 67 LEU N N 15 123.985 0.2 . 1 . . . . 169 LEU N . 6628 1 228 . 1 1 68 68 ALA H H 1 9.637 0.01 . 1 . . . . 170 ALA H . 6628 1 229 . 1 1 68 68 ALA CA C 13 50.76 0.2 . 1 . . . . 170 ALA CA . 6628 1 230 . 1 1 68 68 ALA CB C 13 23.52 0.2 . 1 . . . . 170 ALA CB . 6628 1 231 . 1 1 68 68 ALA N N 15 130.458 0.2 . 1 . . . . 170 ALA N . 6628 1 232 . 1 1 69 69 THR H H 1 8.906 0.01 . 1 . . . . 171 THR H . 6628 1 233 . 1 1 69 69 THR CA C 13 60.60 0.2 . 1 . . . . 171 THR CA . 6628 1 234 . 1 1 69 69 THR CB C 13 71.02 0.2 . 1 . . . . 171 THR CB . 6628 1 235 . 1 1 69 69 THR N N 15 116.155 0.2 . 1 . . . . 171 THR N . 6628 1 236 . 1 1 70 70 LEU H H 1 9.413 0.01 . 1 . . . . 172 LEU H . 6628 1 237 . 1 1 70 70 LEU CA C 13 55.52 0.2 . 1 . . . . 172 LEU CA . 6628 1 238 . 1 1 70 70 LEU CB C 13 40.72 0.2 . 1 . . . . 172 LEU CB . 6628 1 239 . 1 1 70 70 LEU N N 15 130.334 0.2 . 1 . . . . 172 LEU N . 6628 1 240 . 1 1 71 71 MET H H 1 8.695 0.01 . 1 . . . . 173 MET H . 6628 1 241 . 1 1 71 71 MET CA C 13 55.25 0.2 . 1 . . . . 173 MET CA . 6628 1 242 . 1 1 71 71 MET CB C 13 32.77 0.2 . 1 . . . . 173 MET CB . 6628 1 243 . 1 1 71 71 MET N N 15 128.024 0.2 . 1 . . . . 173 MET N . 6628 1 244 . 1 1 72 72 SER H H 1 7.665 0.01 . 1 . . . . 174 SER H . 6628 1 245 . 1 1 72 72 SER CA C 13 57.47 0.2 . 1 . . . . 174 SER CA . 6628 1 246 . 1 1 72 72 SER CB C 13 63.66 0.2 . 1 . . . . 174 SER CB . 6628 1 247 . 1 1 72 72 SER N N 15 112.350 0.2 . 1 . . . . 174 SER N . 6628 1 248 . 1 1 73 73 THR H H 1 8.396 0.01 . 1 . . . . 175 THR H . 6628 1 249 . 1 1 73 73 THR CA C 13 61.18 0.2 . 1 . . . . 175 THR CA . 6628 1 250 . 1 1 73 73 THR CB C 13 70.18 0.2 . 1 . . . . 175 THR CB . 6628 1 251 . 1 1 73 73 THR N N 15 114.140 0.2 . 1 . . . . 175 THR N . 6628 1 252 . 1 1 74 74 GLU H H 1 8.460 0.01 . 1 . . . . 176 GLU H . 6628 1 253 . 1 1 74 74 GLU CA C 13 56.43 0.2 . 1 . . . . 176 GLU CA . 6628 1 254 . 1 1 74 74 GLU CB C 13 30.30 0.2 . 1 . . . . 176 GLU CB . 6628 1 255 . 1 1 74 74 GLU N N 15 124.210 0.2 . 1 . . . . 176 GLU N . 6628 1 256 . 1 1 75 75 GLU H H 1 7.863 0.01 . 1 . . . . 177 GLU H . 6628 1 257 . 1 1 75 75 GLU CA C 13 54.08 0.2 . 1 . . . . 177 GLU CA . 6628 1 258 . 1 1 75 75 GLU CB C 13 31.54 0.2 . 1 . . . . 177 GLU CB . 6628 1 259 . 1 1 75 75 GLU N N 15 120.888 0.2 . 1 . . . . 177 GLU N . 6628 1 260 . 1 1 76 76 GLY CA C 13 45.23 0.2 . 1 . . . . 178 GLY CA . 6628 1 261 . 1 1 77 77 ARG H H 1 8.087 0.01 . 1 . . . . 179 ARG H . 6628 1 262 . 1 1 77 77 ARG CA C 13 55.58 0.2 . 1 . . . . 179 ARG CA . 6628 1 263 . 1 1 77 77 ARG CB C 13 29.25 0.2 . 1 . . . . 179 ARG CB . 6628 1 264 . 1 1 77 77 ARG N N 15 120.209 0.2 . 1 . . . . 179 ARG N . 6628 1 265 . 1 1 78 78 PRO CA C 13 62.36 0.2 . 1 . . . . 180 PRO CA . 6628 1 266 . 1 1 79 79 HIS H H 1 7.383 0.01 . 1 . . . . 181 HIS H . 6628 1 267 . 1 1 79 79 HIS CA C 13 54.67 0.2 . 1 . . . . 181 HIS CA . 6628 1 268 . 1 1 79 79 HIS CB C 13 31.34 0.2 . 1 . . . . 181 HIS CB . 6628 1 269 . 1 1 79 79 HIS N N 15 120.692 0.2 . 1 . . . . 181 HIS N . 6628 1 270 . 1 1 80 80 PHE H H 1 8.233 0.01 . 1 . . . . 182 PHE H . 6628 1 271 . 1 1 80 80 PHE CA C 13 56.56 0.2 . 1 . . . . 182 PHE CA . 6628 1 272 . 1 1 80 80 PHE CB C 13 40.92 0.2 . 1 . . . . 182 PHE CB . 6628 1 273 . 1 1 80 80 PHE N N 15 123.669 0.2 . 1 . . . . 182 PHE N . 6628 1 274 . 1 1 81 81 GLU H H 1 8.454 0.01 . 1 . . . . 183 GLU H . 6628 1 275 . 1 1 81 81 GLU CA C 13 54.28 0.2 . 1 . . . . 183 GLU CA . 6628 1 276 . 1 1 81 81 GLU CB C 13 31.60 0.2 . 1 . . . . 183 GLU CB . 6628 1 277 . 1 1 81 81 GLU N N 15 121.288 0.2 . 1 . . . . 183 GLU N . 6628 1 278 . 1 1 82 82 LEU H H 1 8.903 0.01 . 1 . . . . 184 LEU H . 6628 1 279 . 1 1 82 82 LEU CA C 13 55.65 0.2 . 1 . . . . 184 LEU CA . 6628 1 280 . 1 1 82 82 LEU CB C 13 40.85 0.2 . 1 . . . . 184 LEU CB . 6628 1 281 . 1 1 82 82 LEU N N 15 127.761 0.2 . 1 . . . . 184 LEU N . 6628 1 282 . 1 1 83 83 MET H H 1 8.399 0.01 . 1 . . . . 185 MET H . 6628 1 283 . 1 1 83 83 MET CA C 13 53.04 0.2 . 1 . . . . 185 MET CA . 6628 1 284 . 1 1 83 83 MET CB C 13 31.01 0.2 . 1 . . . . 185 MET CB . 6628 1 285 . 1 1 83 83 MET N N 15 123.176 0.2 . 1 . . . . 185 MET N . 6628 1 286 . 1 1 84 84 PRO CA C 13 63.40 0.2 . 1 . . . . 186 PRO CA . 6628 1 287 . 1 1 84 84 PRO CB C 13 31.54 0.2 . 1 . . . . 186 PRO CB . 6628 1 288 . 1 1 85 85 GLY CA C 13 44.50 0.2 . 1 . . . . 187 GLY CA . 6628 1 289 . 1 1 86 86 ASN CA C 13 52.78 0.2 . 1 . . . . 188 ASN CA . 6628 1 290 . 1 1 86 86 ASN CB C 13 39.16 0.2 . 1 . . . . 188 ASN CB . 6628 1 291 . 1 1 87 87 SER H H 1 8.178 0.01 . 1 . . . . 189 SER H . 6628 1 292 . 1 1 87 87 SER CA C 13 60.01 0.2 . 1 . . . . 189 SER CA . 6628 1 293 . 1 1 87 87 SER CB C 13 63.01 0.2 . 1 . . . . 189 SER CB . 6628 1 294 . 1 1 87 87 SER N N 15 118.051 0.2 . 1 . . . . 189 SER N . 6628 1 295 . 1 1 88 88 VAL H H 1 7.836 0.01 . 1 . . . . 190 VAL H . 6628 1 296 . 1 1 88 88 VAL CA C 13 60.21 0.2 . 1 . . . . 190 VAL CA . 6628 1 297 . 1 1 88 88 VAL CB C 13 34.27 0.2 . 1 . . . . 190 VAL CB . 6628 1 298 . 1 1 88 88 VAL N N 15 122.352 0.2 . 1 . . . . 190 VAL N . 6628 1 299 . 1 1 89 89 TYR H H 1 9.001 0.01 . 1 . . . . 191 TYR H . 6628 1 300 . 1 1 89 89 TYR CA C 13 56.23 0.2 . 1 . . . . 191 TYR CA . 6628 1 301 . 1 1 89 89 TYR CB C 13 40.46 0.2 . 1 . . . . 191 TYR CB . 6628 1 302 . 1 1 89 89 TYR N N 15 122.367 0.2 . 1 . . . . 191 TYR N . 6628 1 303 . 1 1 90 90 HIS H H 1 8.359 0.01 . 1 . . . . 192 HIS H . 6628 1 304 . 1 1 90 90 HIS CA C 13 53.82 0.2 . 1 . . . . 192 HIS CA . 6628 1 305 . 1 1 90 90 HIS CB C 13 32.58 0.2 . 1 . . . . 192 HIS CB . 6628 1 306 . 1 1 90 90 HIS N N 15 116.972 0.2 . 1 . . . . 192 HIS N . 6628 1 307 . 1 1 91 91 PHE H H 1 8.616 0.01 . 1 . . . . 193 PHE H . 6628 1 308 . 1 1 91 91 PHE CA C 13 59.88 0.2 . 1 . . . . 193 PHE CA . 6628 1 309 . 1 1 91 91 PHE CB C 13 38.12 0.2 . 1 . . . . 193 PHE CB . 6628 1 310 . 1 1 91 91 PHE N N 15 121.018 0.2 . 1 . . . . 193 PHE N . 6628 1 311 . 1 1 92 92 ASP H H 1 9.283 0.01 . 1 . . . . 194 ASP H . 6628 1 312 . 1 1 92 92 ASP CA C 13 52.84 0.2 . 1 . . . . 194 ASP CA . 6628 1 313 . 1 1 92 92 ASP CB C 13 41.64 0.2 . 1 . . . . 194 ASP CB . 6628 1 314 . 1 1 92 92 ASP N N 15 134.249 0.2 . 1 . . . . 194 ASP N . 6628 1 315 . 1 1 93 93 LYS H H 1 6.307 0.01 . 1 . . . . 195 LYS H . 6628 1 316 . 1 1 93 93 LYS CA C 13 57.21 0.2 . 1 . . . . 195 LYS CA . 6628 1 317 . 1 1 93 93 LYS CB C 13 32.58 0.2 . 1 . . . . 195 LYS CB . 6628 1 318 . 1 1 93 93 LYS N N 15 122.161 0.2 . 1 . . . . 195 LYS N . 6628 1 319 . 1 1 94 94 SER H H 1 9.940 0.01 . 1 . . . . 196 SER H . 6628 1 320 . 1 1 94 94 SER CA C 13 57.80 0.2 . 1 . . . . 196 SER CA . 6628 1 321 . 1 1 94 94 SER CB C 13 64.96 0.2 . 1 . . . . 196 SER CB . 6628 1 322 . 1 1 94 94 SER N N 15 126.129 0.2 . 1 . . . . 196 SER N . 6628 1 323 . 1 1 95 95 THR H H 1 8.234 0.01 . 1 . . . . 197 THR H . 6628 1 324 . 1 1 95 95 THR CA C 13 59.16 0.2 . 1 . . . . 197 THR CA . 6628 1 325 . 1 1 95 95 THR CB C 13 71.02 0.2 . 1 . . . . 197 THR CB . 6628 1 326 . 1 1 95 95 THR N N 15 108.829 0.2 . 1 . . . . 197 THR N . 6628 1 327 . 1 1 96 96 SER H H 1 8.478 0.01 . 1 . . . . 198 SER H . 6628 1 328 . 1 1 96 96 SER CA C 13 60.60 0.2 . 1 . . . . 198 SER CA . 6628 1 329 . 1 1 96 96 SER CB C 13 63.01 0.2 . 1 . . . . 198 SER CB . 6628 1 330 . 1 1 96 96 SER N N 15 113.897 0.2 . 1 . . . . 198 SER N . 6628 1 331 . 1 1 97 97 SER CA C 13 57.60 0.2 . 1 . . . . 199 SER CA . 6628 1 332 . 1 1 97 97 SER CB C 13 63.07 0.2 . 1 . . . . 199 SER CB . 6628 1 333 . 1 1 98 98 CYS H H 1 9.014 0.01 . 1 . . . . 200 CYS H . 6628 1 334 . 1 1 98 98 CYS CA C 13 55.52 0.2 . 1 . . . . 200 CYS CA . 6628 1 335 . 1 1 98 98 CYS CB C 13 41.18 0.2 . 1 . . . . 200 CYS CB . 6628 1 336 . 1 1 98 98 CYS N N 15 127.491 0.2 . 1 . . . . 200 CYS N . 6628 1 337 . 1 1 99 99 ILE H H 1 8.757 0.01 . 1 . . . . 201 ILE H . 6628 1 338 . 1 1 99 99 ILE CA C 13 60.99 0.2 . 1 . . . . 201 ILE CA . 6628 1 339 . 1 1 99 99 ILE CB C 13 36.49 0.2 . 1 . . . . 201 ILE CB . 6628 1 340 . 1 1 99 99 ILE N N 15 125.794 0.2 . 1 . . . . 201 ILE N . 6628 1 341 . 1 1 100 100 SER H H 1 8.487 0.01 . 1 . . . . 202 SER H . 6628 1 342 . 1 1 100 100 SER CA C 13 60.27 0.2 . 1 . . . . 202 SER CA . 6628 1 343 . 1 1 100 100 SER CB C 13 62.68 0.2 . 1 . . . . 202 SER CB . 6628 1 344 . 1 1 100 100 SER N N 15 124.524 0.2 . 1 . . . . 202 SER N . 6628 1 345 . 1 1 101 101 THR CA C 13 64.05 0.2 . 1 . . . . 203 THR CA . 6628 1 346 . 1 1 101 101 THR CB C 13 68.94 0.2 . 1 . . . . 203 THR CB . 6628 1 347 . 1 1 102 102 ASN H H 1 8.488 0.2 . 1 . . . . 204 ASN H . 6628 1 348 . 1 1 102 102 ASN CA C 13 52.52 0.2 . 1 . . . . 204 ASN CA . 6628 1 349 . 1 1 102 102 ASN CB C 13 38.31 0.2 . 1 . . . . 204 ASN CB . 6628 1 350 . 1 1 102 102 ASN N N 15 121.993 0.2 . 1 . . . . 204 ASN N . 6628 1 351 . 1 1 103 103 ALA H H 1 8.566 0.01 . 1 . . . . 205 ALA H . 6628 1 352 . 1 1 103 103 ALA CA C 13 54.86 0.2 . 1 . . . . 205 ALA CA . 6628 1 353 . 1 1 103 103 ALA CB C 13 19.35 0.2 . 1 . . . . 205 ALA CB . 6628 1 354 . 1 1 103 103 ALA N N 15 123.176 0.2 . 1 . . . . 205 ALA N . 6628 1 355 . 1 1 104 104 LEU H H 1 7.975 0.01 . 1 . . . . 206 LEU H . 6628 1 356 . 1 1 104 104 LEU CA C 13 53.30 0.2 . 1 . . . . 206 LEU CA . 6628 1 357 . 1 1 104 104 LEU CB C 13 40.14 0.2 . 1 . . . . 206 LEU CB . 6628 1 358 . 1 1 104 104 LEU N N 15 114.561 0.2 . 1 . . . . 206 LEU N . 6628 1 359 . 1 1 105 105 LEU H H 1 7.242 0.01 . 1 . . . . 207 LEU H . 6628 1 360 . 1 1 105 105 LEU CA C 13 51.54 0.2 . 1 . . . . 207 LEU CA . 6628 1 361 . 1 1 105 105 LEU CB C 13 41.89 0.2 . 1 . . . . 207 LEU CB . 6628 1 362 . 1 1 105 105 LEU N N 15 125.750 0.2 . 1 . . . . 207 LEU N . 6628 1 363 . 1 1 106 106 PRO CA C 13 63.07 0.2 . 1 . . . . 208 PRO CA . 6628 1 364 . 1 1 106 106 PRO CB C 13 31.73 0.2 . 1 . . . . 208 PRO CB . 6628 1 365 . 1 1 107 107 ASP CA C 13 55.25 0.2 . 1 . . . . 209 ASP CA . 6628 1 366 . 1 1 107 107 ASP CB C 13 41.31 0.2 . 1 . . . . 209 ASP CB . 6628 1 367 . 1 1 111 111 SER CA C 13 58.64 0.2 . 1 . . . . 213 SER CA . 6628 1 368 . 1 1 112 112 GLU H H 1 8.712 0.01 . 1 . . . . 214 GLU H . 6628 1 369 . 1 1 112 112 GLU CA C 13 54.33 0.2 . 1 . . . . 214 GLU CA . 6628 1 370 . 1 1 112 112 GLU CB C 13 34.97 0.2 . 1 . . . . 214 GLU CB . 6628 1 371 . 1 1 112 112 GLU N N 15 114.004 0.2 . 1 . . . . 214 GLU N . 6628 1 372 . 1 1 113 113 ARG H H 1 7.351 0.01 . 1 . . . . 215 ARG H . 6628 1 373 . 1 1 113 113 ARG CA C 13 54.33 0.2 . 1 . . . . 215 ARG CA . 6628 1 374 . 1 1 113 113 ARG CB C 13 30.84 0.2 . 1 . . . . 215 ARG CB . 6628 1 375 . 1 1 113 113 ARG N N 15 120.461 0.2 . 1 . . . . 215 ARG N . 6628 1 376 . 1 1 114 114 VAL H H 1 9.365 0.01 . 1 . . . . 216 VAL H . 6628 1 377 . 1 1 114 114 VAL CA C 13 64.14 0.2 . 1 . . . . 216 VAL CA . 6628 1 378 . 1 1 114 114 VAL CB C 13 30.84 0.2 . 1 . . . . 216 VAL CB . 6628 1 379 . 1 1 114 114 VAL N N 15 125.614 0.2 . 1 . . . . 216 VAL N . 6628 1 380 . 1 1 115 115 TYR CA C 13 55.58 0.2 . 1 . . . . 217 TYR CA . 6628 1 381 . 1 1 115 115 TYR CB C 13 40.53 0.2 . 1 . . . . 217 TYR CB . 6628 1 382 . 1 1 116 116 VAL H H 1 8.431 0.01 . 1 . . . . 218 VAL H . 6628 1 383 . 1 1 116 116 VAL CA C 13 60.79 0.2 . 1 . . . . 218 VAL CA . 6628 1 384 . 1 1 116 116 VAL CB C 13 32.45 0.2 . 1 . . . . 218 VAL CB . 6628 1 385 . 1 1 116 116 VAL N N 15 121.557 0.2 . 1 . . . . 218 VAL N . 6628 1 386 . 1 1 117 117 ALA H H 1 8.490 0.01 . 1 . . . . 219 ALA H . 6628 1 387 . 1 1 117 117 ALA CA C 13 50.95 0.2 . 1 . . . . 219 ALA CA . 6628 1 388 . 1 1 117 117 ALA CB C 13 21.07 0.2 . 1 . . . . 219 ALA CB . 6628 1 389 . 1 1 117 117 ALA N N 15 129.546 0.2 . 1 . . . . 219 ALA N . 6628 1 390 . 1 1 118 118 GLU H H 1 8.279 0.01 . 1 . . . . 220 GLU H . 6628 1 391 . 1 1 118 118 GLU CA C 13 58.12 0.2 . 1 . . . . 220 GLU CA . 6628 1 392 . 1 1 118 118 GLU CB C 13 29.06 0.2 . 1 . . . . 220 GLU CB . 6628 1 393 . 1 1 118 118 GLU N N 15 121.288 0.2 . 1 . . . . 220 GLU N . 6628 1 394 . 1 1 119 119 SER H H 1 8.612 0.01 . 1 . . . . 221 SER H . 6628 1 395 . 1 1 119 119 SER CA C 13 58.64 0.2 . 1 . . . . 221 SER CA . 6628 1 396 . 1 1 119 119 SER CB C 13 62.36 0.2 . 1 . . . . 221 SER CB . 6628 1 397 . 1 1 119 119 SER N N 15 117.242 0.2 . 1 . . . . 221 SER N . 6628 1 398 . 1 1 120 120 LEU H H 1 9.074 0.01 . 1 . . . . 222 LEU H . 6628 1 399 . 1 1 120 120 LEU CA C 13 55.65 0.2 . 1 . . . . 222 LEU CA . 6628 1 400 . 1 1 120 120 LEU CB C 13 40.07 0.2 . 1 . . . . 222 LEU CB . 6628 1 401 . 1 1 120 120 LEU N N 15 128.031 0.2 . 1 . . . . 222 LEU N . 6628 1 402 . 1 1 123 123 SER H H 1 8.387 0.01 . 1 . . . . 225 SER H . 6628 1 403 . 1 1 123 123 SER CA C 13 59.62 0.2 . 1 . . . . 225 SER CA . 6628 1 404 . 1 1 123 123 SER CB C 13 62.49 0.2 . 1 . . . . 225 SER CB . 6628 1 405 . 1 1 123 123 SER N N 15 113.513 0.2 . 1 . . . . 225 SER N . 6628 1 406 . 1 1 124 124 ALA H H 1 7.437 0.01 . 1 . . . . 226 ALA H . 6628 1 407 . 1 1 124 124 ALA CA C 13 52.26 0.2 . 1 . . . . 226 ALA CA . 6628 1 408 . 1 1 124 124 ALA CB C 13 17.13 0.2 . 1 . . . . 226 ALA CB . 6628 1 409 . 1 1 124 124 ALA N N 15 121.990 0.2 . 1 . . . . 226 ALA N . 6628 1 410 . 1 1 125 125 GLY H H 1 8.131 0.01 . 1 . . . . 227 GLY H . 6628 1 411 . 1 1 125 125 GLY CA C 13 45.87 0.2 . 1 . . . . 227 GLY CA . 6628 1 412 . 1 1 125 125 GLY N N 15 107.207 0.2 . 1 . . . . 227 GLY N . 6628 1 413 . 1 1 126 126 GLU H H 1 8.371 0.01 . 1 . . . . 228 GLU H . 6628 1 414 . 1 1 126 126 GLU CA C 13 55.91 0.2 . 1 . . . . 228 GLU CA . 6628 1 415 . 1 1 126 126 GLU CB C 13 31.40 0.2 . 1 . . . . 228 GLU CB . 6628 1 416 . 1 1 126 126 GLU N N 15 124.147 0.2 . 1 . . . . 228 GLU N . 6628 1 417 . 1 1 127 127 GLY H H 1 9.331 0.01 . 1 . . . . 229 GLY H . 6628 1 418 . 1 1 127 127 GLY CA C 13 43.72 0.2 . 1 . . . . 229 GLY CA . 6628 1 419 . 1 1 127 127 GLY N N 15 109.653 0.2 . 1 . . . . 229 GLY N . 6628 1 420 . 1 1 129 129 PHE CA C 13 63.54 0.2 . 1 . . . . 231 PHE CA . 6628 1 421 . 1 1 130 130 SER CA C 13 58.24 0.2 . 1 . . . . 232 SER CA . 6628 1 422 . 1 1 130 130 SER CB C 13 64.40 0.2 . 1 . . . . 232 SER CB . 6628 1 423 . 1 1 132 132 VAL H H 1 7.680 0.01 . 1 . . . . 234 VAL H . 6628 1 424 . 1 1 132 132 VAL CA C 13 58.51 0.2 . 1 . . . . 234 VAL CA . 6628 1 425 . 1 1 132 132 VAL CB C 13 35.71 0.2 . 1 . . . . 234 VAL CB . 6628 1 426 . 1 1 132 132 VAL N N 15 109.346 0.2 . 1 . . . . 234 VAL N . 6628 1 427 . 1 1 133 133 ALA H H 1 8.234 0.01 . 1 . . . . 235 ALA H . 6628 1 428 . 1 1 133 133 ALA CA C 13 51.35 0.2 . 1 . . . . 235 ALA CA . 6628 1 429 . 1 1 133 133 ALA CB C 13 18.05 0.2 . 1 . . . . 235 ALA CB . 6628 1 430 . 1 1 133 133 ALA N N 15 124.524 0.2 . 1 . . . . 235 ALA N . 6628 1 431 . 1 1 134 134 VAL H H 1 8.371 0.01 . 1 . . . . 236 VAL H . 6628 1 432 . 1 1 134 134 VAL CA C 13 59.16 0.2 . 1 . . . . 236 VAL CA . 6628 1 433 . 1 1 134 134 VAL CB C 13 35.90 0.2 . 1 . . . . 236 VAL CB . 6628 1 434 . 1 1 134 134 VAL N N 15 115.921 0.2 . 1 . . . . 236 VAL N . 6628 1 435 . 1 1 135 135 GLY H H 1 8.248 0.01 . 1 . . . . 237 GLY H . 6628 1 436 . 1 1 135 135 GLY CA C 13 44.18 0.2 . 1 . . . . 237 GLY CA . 6628 1 437 . 1 1 135 135 GLY N N 15 106.722 0.2 . 1 . . . . 237 GLY N . 6628 1 438 . 1 1 136 136 PRO CA C 13 62.22 0.2 . 1 . . . . 238 PRO CA . 6628 1 439 . 1 1 136 136 PRO CB C 13 32.32 0.2 . 1 . . . . 238 PRO CB . 6628 1 440 . 1 1 137 137 ASN H H 1 7.443 0.01 . 1 . . . . 239 ASN H . 6628 1 441 . 1 1 137 137 ASN CA C 13 51.99 0.2 . 1 . . . . 239 ASN CA . 6628 1 442 . 1 1 137 137 ASN CB C 13 37.79 0.2 . 1 . . . . 239 ASN CB . 6628 1 443 . 1 1 137 137 ASN N N 15 112.584 0.2 . 1 . . . . 239 ASN N . 6628 1 444 . 1 1 138 138 THR H H 1 8.560 0.01 . 1 . . . . 240 THR H . 6628 1 445 . 1 1 138 138 THR CA C 13 63.07 0.2 . 1 . . . . 240 THR CA . 6628 1 446 . 1 1 138 138 THR CB C 13 69.40 0.2 . 1 . . . . 240 THR CB . 6628 1 447 . 1 1 138 138 THR N N 15 118.275 0.2 . 1 . . . . 240 THR N . 6628 1 448 . 1 1 139 139 VAL H H 1 9.877 0.01 . 1 . . . . 241 VAL H . 6628 1 449 . 1 1 139 139 VAL CA C 13 64.83 0.2 . 1 . . . . 241 VAL CA . 6628 1 450 . 1 1 139 139 VAL CB C 13 30.49 0.2 . 1 . . . . 241 VAL CB . 6628 1 451 . 1 1 139 139 VAL N N 15 130.628 0.2 . 1 . . . . 241 VAL N . 6628 1 452 . 1 1 140 140 MET CA C 13 54.40 0.2 . 1 . . . . 242 MET CA . 6628 1 453 . 1 1 141 141 SER H H 1 6.767 0.01 . 1 . . . . 243 SER H . 6628 1 454 . 1 1 141 141 SER CA C 13 56.36 0.2 . 1 . . . . 243 SER CA . 6628 1 455 . 1 1 141 141 SER CB C 13 65.55 0.2 . 1 . . . . 243 SER CB . 6628 1 456 . 1 1 141 141 SER N N 15 102.299 0.2 . 1 . . . . 243 SER N . 6628 1 457 . 1 1 142 142 PHE H H 1 9.438 0.01 . 1 . . . . 244 PHE H . 6628 1 458 . 1 1 142 142 PHE CA C 13 54.34 0.2 . 1 . . . . 244 PHE CA . 6628 1 459 . 1 1 142 142 PHE CB C 13 43.66 0.2 . 1 . . . . 244 PHE CB . 6628 1 460 . 1 1 142 142 PHE N N 15 117.170 0.2 . 1 . . . . 244 PHE N . 6628 1 461 . 1 1 143 143 TYR CA C 13 54.93 0.2 . 1 . . . . 245 TYR CA . 6628 1 462 . 1 1 144 144 ASN H H 1 6.516 0.01 . 1 . . . . 246 ASN H . 6628 1 463 . 1 1 144 144 ASN CA C 13 51.93 0.2 . 1 . . . . 246 ASN CA . 6628 1 464 . 1 1 144 144 ASN CB C 13 40.20 0.2 . 1 . . . . 246 ASN CB . 6628 1 465 . 1 1 144 144 ASN N N 15 117.604 0.2 . 1 . . . . 246 ASN N . 6628 1 466 . 1 1 145 145 GLY H H 1 6.739 0.01 . 1 . . . . 247 GLY H . 6628 1 467 . 1 1 145 145 GLY CA C 13 45.42 0.2 . 1 . . . . 247 GLY CA . 6628 1 468 . 1 1 145 145 GLY N N 15 105.526 0.2 . 1 . . . . 247 GLY N . 6628 1 469 . 1 1 146 146 VAL CA C 13 61.79 0.2 . 1 . . . . 248 VAL CA . 6628 1 470 . 1 1 146 146 VAL CB C 13 30.70 0.2 . 1 . . . . 248 VAL CB . 6628 1 471 . 1 1 147 147 ARG H H 1 6.847 0.01 . 1 . . . . 249 ARG H . 6628 1 472 . 1 1 147 147 ARG CA C 13 54.79 0.2 . 1 . . . . 249 ARG CA . 6628 1 473 . 1 1 147 147 ARG CB C 13 30.23 0.2 . 1 . . . . 249 ARG CB . 6628 1 474 . 1 1 147 147 ARG N N 15 120.617 0.2 . 1 . . . . 249 ARG N . 6628 1 475 . 1 1 148 148 ILE H H 1 8.921 0.01 . 1 . . . . 250 ILE H . 6628 1 476 . 1 1 148 148 ILE CA C 13 59.03 0.2 . 1 . . . . 250 ILE CA . 6628 1 477 . 1 1 148 148 ILE CB C 13 40.39 0.2 . 1 . . . . 250 ILE CB . 6628 1 478 . 1 1 148 148 ILE N N 15 120.436 0.2 . 1 . . . . 250 ILE N . 6628 1 479 . 1 1 149 149 THR H H 1 8.052 0.01 . 1 . . . . 251 THR H . 6628 1 480 . 1 1 149 149 THR CA C 13 60.73 0.2 . 1 . . . . 251 THR CA . 6628 1 481 . 1 1 149 149 THR CB C 13 71.81 0.2 . 1 . . . . 251 THR CB . 6628 1 482 . 1 1 149 149 THR N N 15 110.388 0.2 . 1 . . . . 251 THR N . 6628 1 483 . 1 1 150 150 HIS H H 1 8.438 0.01 . 1 . . . . 252 HIS H . 6628 1 484 . 1 1 150 150 HIS CA C 13 59.56 0.2 . 1 . . . . 252 HIS CA . 6628 1 485 . 1 1 150 150 HIS CB C 13 28.41 0.2 . 1 . . . . 252 HIS CB . 6628 1 486 . 1 1 150 150 HIS N N 15 118.615 0.2 . 1 . . . . 252 HIS N . 6628 1 487 . 1 1 151 151 GLN H H 1 8.467 0.01 . 1 . . . . 253 GLN H . 6628 1 488 . 1 1 151 151 GLN CA C 13 59.36 0.2 . 1 . . . . 253 GLN CA . 6628 1 489 . 1 1 151 151 GLN CB C 13 27.17 0.2 . 1 . . . . 253 GLN CB . 6628 1 490 . 1 1 151 151 GLN N N 15 118.051 0.2 . 1 . . . . 253 GLN N . 6628 1 491 . 1 1 152 152 GLU H H 1 7.603 0.01 . 1 . . . . 254 GLU H . 6628 1 492 . 1 1 152 152 GLU CA C 13 58.77 0.2 . 1 . . . . 254 GLU CA . 6628 1 493 . 1 1 152 152 GLU CB C 13 29.06 0.2 . 1 . . . . 254 GLU CB . 6628 1 494 . 1 1 152 152 GLU N N 15 119.902 0.2 . 1 . . . . 254 GLU N . 6628 1 495 . 1 1 153 153 VAL H H 1 7.148 0.01 . 1 . . . . 255 VAL H . 6628 1 496 . 1 1 153 153 VAL CA C 13 66.20 0.2 . 1 . . . . 255 VAL CA . 6628 1 497 . 1 1 153 153 VAL CB C 13 31.27 0.2 . 1 . . . . 255 VAL CB . 6628 1 498 . 1 1 153 153 VAL N N 15 119.664 0.2 . 1 . . . . 255 VAL N . 6628 1 499 . 1 1 154 154 ASP H H 1 8.477 0.01 . 1 . . . . 256 ASP H . 6628 1 500 . 1 1 154 154 ASP CA C 13 56.30 0.2 . 1 . . . . 256 ASP CA . 6628 1 501 . 1 1 154 154 ASP CB C 13 40.07 0.2 . 1 . . . . 256 ASP CB . 6628 1 502 . 1 1 154 154 ASP N N 15 118.299 0.2 . 1 . . . . 256 ASP N . 6628 1 503 . 1 1 155 155 SER H H 1 7.313 0.01 . 1 . . . . 257 SER H . 6628 1 504 . 1 1 155 155 SER CA C 13 58.38 0.2 . 1 . . . . 257 SER CA . 6628 1 505 . 1 1 155 155 SER CB C 13 63.92 0.2 . 1 . . . . 257 SER CB . 6628 1 506 . 1 1 155 155 SER N N 15 111.847 0.2 . 1 . . . . 257 SER N . 6628 1 507 . 1 1 156 156 ARG H H 1 7.279 0.01 . 1 . . . . 258 ARG H . 6628 1 508 . 1 1 156 156 ARG CA C 13 53.76 0.2 . 1 . . . . 258 ARG CA . 6628 1 509 . 1 1 156 156 ARG CB C 13 31.27 0.2 . 1 . . . . 258 ARG CB . 6628 1 510 . 1 1 156 156 ARG N N 15 121.060 0.2 . 1 . . . . 258 ARG N . 6628 1 511 . 1 1 157 157 ASP H H 1 8.056 0.01 . 1 . . . . 259 ASP H . 6628 1 512 . 1 1 157 157 ASP CA C 13 54.34 0.2 . 1 . . . . 259 ASP CA . 6628 1 513 . 1 1 157 157 ASP CB C 13 42.35 0.2 . 1 . . . . 259 ASP CB . 6628 1 514 . 1 1 157 157 ASP N N 15 119.728 0.2 . 1 . . . . 259 ASP N . 6628 1 515 . 1 1 158 158 TRP H H 1 8.262 0.01 . 1 . . . . 260 TRP H . 6628 1 516 . 1 1 158 158 TRP CA C 13 60.01 0.2 . 1 . . . . 260 TRP CA . 6628 1 517 . 1 1 158 158 TRP CB C 13 28.34 0.2 . 1 . . . . 260 TRP CB . 6628 1 518 . 1 1 158 158 TRP N N 15 123.996 0.2 . 1 . . . . 260 TRP N . 6628 1 519 . 1 1 159 159 ALA H H 1 8.649 0.01 . 1 . . . . 261 ALA H . 6628 1 520 . 1 1 159 159 ALA CA C 13 54.47 0.2 . 1 . . . . 261 ALA CA . 6628 1 521 . 1 1 159 159 ALA CB C 13 17.33 0.2 . 1 . . . . 261 ALA CB . 6628 1 522 . 1 1 159 159 ALA N N 15 124.180 0.2 . 1 . . . . 261 ALA N . 6628 1 523 . 1 1 160 160 LEU H H 1 7.862 0.01 . 1 . . . . 262 LEU H . 6628 1 524 . 1 1 160 160 LEU CA C 13 54.60 0.2 . 1 . . . . 262 LEU CA . 6628 1 525 . 1 1 160 160 LEU CB C 13 41.70 0.2 . 1 . . . . 262 LEU CB . 6628 1 526 . 1 1 160 160 LEU N N 15 116.960 0.2 . 1 . . . . 262 LEU N . 6628 1 527 . 1 1 161 161 ASN CA C 13 54.41 0.2 . 1 . . . . 263 ASN CA . 6628 1 528 . 1 1 161 161 ASN CB C 13 37.27 0.2 . 1 . . . . 263 ASN CB . 6628 1 529 . 1 1 162 162 GLY H H 1 8.728 0.01 . 1 . . . . 264 GLY H . 6628 1 530 . 1 1 162 162 GLY CA C 13 47.76 0.2 . 1 . . . . 264 GLY CA . 6628 1 531 . 1 1 162 162 GLY N N 15 109.169 0.2 . 1 . . . . 264 GLY N . 6628 1 532 . 1 1 163 163 ASN H H 1 9.398 0.01 . 1 . . . . 265 ASN H . 6628 1 533 . 1 1 163 163 ASN CA C 13 51.61 0.2 . 1 . . . . 265 ASN CA . 6628 1 534 . 1 1 163 163 ASN CB C 13 39.03 0.2 . 1 . . . . 265 ASN CB . 6628 1 535 . 1 1 163 163 ASN N N 15 116.702 0.2 . 1 . . . . 265 ASN N . 6628 1 536 . 1 1 164 164 THR H H 1 7.340 0.01 . 1 . . . . 266 THR H . 6628 1 537 . 1 1 164 164 THR CA C 13 60.73 0.2 . 1 . . . . 266 THR CA . 6628 1 538 . 1 1 164 164 THR CB C 13 69.98 0.2 . 1 . . . . 266 THR CB . 6628 1 539 . 1 1 164 164 THR N N 15 113.696 0.2 . 1 . . . . 266 THR N . 6628 1 540 . 1 1 165 165 LEU H H 1 8.784 0.01 . 1 . . . . 267 LEU H . 6628 1 541 . 1 1 165 165 LEU CA C 13 53.63 0.2 . 1 . . . . 267 LEU CA . 6628 1 542 . 1 1 165 165 LEU CB C 13 44.31 0.2 . 1 . . . . 267 LEU CB . 6628 1 543 . 1 1 165 165 LEU N N 15 125.291 0.2 . 1 . . . . 267 LEU N . 6628 1 544 . 1 1 166 166 SER H H 1 8.775 0.01 . 1 . . . . 268 SER H . 6628 1 545 . 1 1 166 166 SER CA C 13 60.47 0.2 . 1 . . . . 268 SER CA . 6628 1 546 . 1 1 166 166 SER CB C 13 62.23 0.2 . 1 . . . . 268 SER CB . 6628 1 547 . 1 1 166 166 SER N N 15 123.445 0.2 . 1 . . . . 268 SER N . 6628 1 548 . 1 1 167 167 LEU H H 1 8.718 0.01 . 1 . . . . 269 LEU H . 6628 1 549 . 1 1 167 167 LEU CA C 13 56.01 0.2 . 1 . . . . 269 LEU CA . 6628 1 550 . 1 1 167 167 LEU CB C 13 43.13 0.2 . 1 . . . . 269 LEU CB . 6628 1 551 . 1 1 167 167 LEU N N 15 129.110 0.2 . 1 . . . . 269 LEU N . 6628 1 552 . 1 1 168 168 ASP CA C 13 53.10 0.2 . 1 . . . . 270 ASP CA . 6628 1 553 . 1 1 168 168 ASP CB C 13 40.07 0.2 . 1 . . . . 270 ASP CB . 6628 1 554 . 1 1 169 169 GLU H H 1 8.797 0.01 . 1 . . . . 271 GLU H . 6628 1 555 . 1 1 169 169 GLU CA C 13 58.90 0.2 . 1 . . . . 271 GLU CA . 6628 1 556 . 1 1 169 169 GLU CB C 13 28.67 0.2 . 1 . . . . 271 GLU CB . 6628 1 557 . 1 1 169 169 GLU N N 15 116.140 0.2 . 1 . . . . 271 GLU N . 6628 1 558 . 1 1 170 170 GLU H H 1 8.583 0.01 . 1 . . . . 272 GLU H . 6628 1 559 . 1 1 170 170 GLU CA C 13 57.08 0.2 . 1 . . . . 272 GLU CA . 6628 1 560 . 1 1 170 170 GLU CB C 13 31.93 0.2 . 1 . . . . 272 GLU CB . 6628 1 561 . 1 1 170 170 GLU N N 15 117.774 0.2 . 1 . . . . 272 GLU N . 6628 1 562 . 1 1 171 171 THR H H 1 8.480 0.01 . 1 . . . . 273 THR H . 6628 1 563 . 1 1 171 171 THR CA C 13 63.07 0.2 . 1 . . . . 273 THR CA . 6628 1 564 . 1 1 171 171 THR CB C 13 70.05 0.2 . 1 . . . . 273 THR CB . 6628 1 565 . 1 1 171 171 THR N N 15 119.036 0.2 . 1 . . . . 273 THR N . 6628 1 566 . 1 1 172 172 VAL H H 1 8.799 0.01 . 1 . . . . 274 VAL H . 6628 1 567 . 1 1 172 172 VAL CA C 13 60.66 0.2 . 1 . . . . 274 VAL CA . 6628 1 568 . 1 1 172 172 VAL CB C 13 33.29 0.2 . 1 . . . . 274 VAL CB . 6628 1 569 . 1 1 172 172 VAL N N 15 128.840 0.2 . 1 . . . . 274 VAL N . 6628 1 570 . 1 1 173 173 ILE H H 1 8.607 0.01 . 1 . . . . 275 ILE H . 6628 1 571 . 1 1 173 173 ILE CA C 13 58.77 0.2 . 1 . . . . 275 ILE CA . 6628 1 572 . 1 1 173 173 ILE CB C 13 38.38 0.2 . 1 . . . . 275 ILE CB . 6628 1 573 . 1 1 173 173 ILE N N 15 125.571 0.2 . 1 . . . . 275 ILE N . 6628 1 574 . 1 1 179 179 TYR CA C 13 56.29 0.2 . 1 . . . . 281 TYR CA . 6628 1 575 . 1 1 179 179 TYR CB C 13 40.07 0.2 . 1 . . . . 281 TYR CB . 6628 1 576 . 1 1 180 180 ASN H H 1 8.116 0.01 . 1 . . . . 282 ASN H . 6628 1 577 . 1 1 180 180 ASN CA C 13 53.04 0.2 . 1 . . . . 282 ASN CA . 6628 1 578 . 1 1 180 180 ASN CB C 13 40.00 0.2 . 1 . . . . 282 ASN CB . 6628 1 579 . 1 1 180 180 ASN N N 15 117.286 0.2 . 1 . . . . 282 ASN N . 6628 1 580 . 1 1 181 181 HIS H H 1 9.836 0.01 . 1 . . . . 283 HIS H . 6628 1 581 . 1 1 181 181 HIS CA C 13 56.30 0.2 . 1 . . . . 283 HIS CA . 6628 1 582 . 1 1 181 181 HIS CB C 13 31.27 0.2 . 1 . . . . 283 HIS CB . 6628 1 583 . 1 1 181 181 HIS N N 15 119.400 0.2 . 1 . . . . 283 HIS N . 6628 1 584 . 1 1 182 182 VAL CA C 13 60.47 0.2 . 1 . . . . 284 VAL CA . 6628 1 585 . 1 1 183 183 SER H H 1 7.772 0.01 . 1 . . . . 285 SER H . 6628 1 586 . 1 1 183 183 SER CA C 13 57.67 0.2 . 1 . . . . 285 SER CA . 6628 1 587 . 1 1 183 183 SER CB C 13 65.03 0.2 . 1 . . . . 285 SER CB . 6628 1 588 . 1 1 183 183 SER N N 15 111.309 0.2 . 1 . . . . 285 SER N . 6628 1 589 . 1 1 184 184 LYS H H 1 7.580 0.01 . 1 . . . . 286 LYS H . 6628 1 590 . 1 1 184 184 LYS CA C 13 56.88 0.2 . 1 . . . . 286 LYS CA . 6628 1 591 . 1 1 184 184 LYS CB C 13 27.23 0.2 . 1 . . . . 286 LYS CB . 6628 1 592 . 1 1 184 184 LYS N N 15 125.603 0.2 . 1 . . . . 286 LYS N . 6628 1 593 . 1 1 185 185 TYR H H 1 8.420 0.01 . 1 . . . . 287 TYR H . 6628 1 594 . 1 1 185 185 TYR CA C 13 63.79 0.2 . 1 . . . . 287 TYR CA . 6628 1 595 . 1 1 185 185 TYR CB C 13 38.77 0.2 . 1 . . . . 287 TYR CB . 6628 1 596 . 1 1 185 185 TYR N N 15 128.840 0.2 . 1 . . . . 287 TYR N . 6628 1 597 . 1 1 186 186 CYS CA C 13 58.45 0.2 . 1 . . . . 288 CYS CA . 6628 1 598 . 1 1 186 186 CYS CB C 13 35.38 0.2 . 1 . . . . 288 CYS CB . 6628 1 599 . 1 1 187 187 ALA H H 1 8.478 0.01 . 1 . . . . 289 ALA H . 6628 1 600 . 1 1 187 187 ALA CA C 13 50.69 0.2 . 1 . . . . 289 ALA CA . 6628 1 601 . 1 1 187 187 ALA CB C 13 17.07 0.2 . 1 . . . . 289 ALA CB . 6628 1 602 . 1 1 187 187 ALA N N 15 125.603 0.2 . 1 . . . . 289 ALA N . 6628 1 603 . 1 1 189 189 LEU CA C 13 52.80 0.2 . 1 . . . . 291 LEU CA . 6628 1 604 . 1 1 190 190 GLY H H 1 8.987 0.01 . 1 . . . . 292 GLY H . 6628 1 605 . 1 1 190 190 GLY CA C 13 47.77 0.2 . 1 . . . . 292 GLY CA . 6628 1 606 . 1 1 190 190 GLY N N 15 113.196 0.2 . 1 . . . . 292 GLY N . 6628 1 607 . 1 1 191 191 HIS H H 1 8.022 0.01 . 1 . . . . 293 HIS H . 6628 1 608 . 1 1 191 191 HIS CA C 13 57.21 0.2 . 1 . . . . 293 HIS CA . 6628 1 609 . 1 1 191 191 HIS CB C 13 28.15 0.2 . 1 . . . . 293 HIS CB . 6628 1 610 . 1 1 191 191 HIS N N 15 116.972 0.2 . 1 . . . . 293 HIS N . 6628 1 611 . 1 1 192 192 LYS H H 1 7.695 0.01 . 1 . . . . 294 LYS H . 6628 1 612 . 1 1 192 192 LYS CA C 13 53.95 0.2 . 1 . . . . 294 LYS CA . 6628 1 613 . 1 1 192 192 LYS CB C 13 30.10 0.2 . 1 . . . . 294 LYS CB . 6628 1 614 . 1 1 192 192 LYS N N 15 119.130 0.2 . 1 . . . . 294 LYS N . 6628 1 615 . 1 1 193 193 ALA H H 1 6.693 0.01 . 1 . . . . 295 ALA H . 6628 1 616 . 1 1 193 193 ALA CA C 13 52.06 0.2 . 1 . . . . 295 ALA CA . 6628 1 617 . 1 1 193 193 ALA CB C 13 17.20 0.2 . 1 . . . . 295 ALA CB . 6628 1 618 . 1 1 193 193 ALA N N 15 117.781 0.2 . 1 . . . . 295 ALA N . 6628 1 619 . 1 1 196 196 SER H H 1 6.687 0.01 . 1 . . . . 298 SER H . 6628 1 620 . 1 1 196 196 SER CA C 13 55.58 0.2 . 1 . . . . 298 SER CA . 6628 1 621 . 1 1 196 196 SER CB C 13 65.03 0.2 . 1 . . . . 298 SER CB . 6628 1 622 . 1 1 196 196 SER N N 15 116.744 0.2 . 1 . . . . 298 SER N . 6628 1 623 . 1 1 197 197 PHE H H 1 8.281 0.01 . 1 . . . . 299 PHE H . 6628 1 624 . 1 1 197 197 PHE CA C 13 60.21 0.2 . 1 . . . . 299 PHE CA . 6628 1 625 . 1 1 197 197 PHE CB C 13 37.60 0.2 . 1 . . . . 299 PHE CB . 6628 1 626 . 1 1 197 197 PHE N N 15 119.829 0.2 . 1 . . . . 299 PHE N . 6628 1 627 . 1 1 198 198 THR H H 1 8.489 0.01 . 1 . . . . 300 THR H . 6628 1 628 . 1 1 198 198 THR CA C 13 57.34 0.2 . 1 . . . . 300 THR CA . 6628 1 629 . 1 1 198 198 THR CB C 13 68.48 0.2 . 1 . . . . 300 THR CB . 6628 1 630 . 1 1 198 198 THR N N 15 112.823 0.2 . 1 . . . . 300 THR N . 6628 1 631 . 1 1 199 199 PRO CA C 13 63.20 0.2 . 1 . . . . 301 PRO CA . 6628 1 632 . 1 1 199 199 PRO CB C 13 31.93 0.2 . 1 . . . . 301 PRO CB . 6628 1 633 . 1 1 200 200 ASN H H 1 8.518 0.01 . 1 . . . . 302 ASN H . 6628 1 634 . 1 1 200 200 ASN CA C 13 55.32 0.2 . 1 . . . . 302 ASN CA . 6628 1 635 . 1 1 200 200 ASN CB C 13 41.18 0.2 . 1 . . . . 302 ASN CB . 6628 1 636 . 1 1 200 200 ASN N N 15 121.288 0.2 . 1 . . . . 302 ASN N . 6628 1 637 . 1 1 201 201 CYS H H 1 7.969 0.01 . 1 . . . . 303 CYS H . 6628 1 638 . 1 1 201 201 CYS CA C 13 53.21 0.2 . 1 . . . . 303 CYS CA . 6628 1 639 . 1 1 201 201 CYS CB C 13 31.93 0.2 . 1 . . . . 303 CYS CB . 6628 1 640 . 1 1 201 201 CYS N N 15 120.104 0.2 . 1 . . . . 303 CYS N . 6628 1 641 . 1 1 204 204 ASP CA C 13 51.80 0.2 . 1 . . . . 306 ASP CA . 6628 1 642 . 1 1 204 204 ASP CB C 13 45.09 0.2 . 1 . . . . 306 ASP CB . 6628 1 643 . 1 1 205 205 MET H H 1 8.749 0.01 . 1 . . . . 307 MET H . 6628 1 644 . 1 1 205 205 MET CA C 13 56.10 0.2 . 1 . . . . 307 MET CA . 6628 1 645 . 1 1 205 205 MET CB C 13 32.19 0.2 . 1 . . . . 307 MET CB . 6628 1 646 . 1 1 205 205 MET N N 15 123.629 0.2 . 1 . . . . 307 MET N . 6628 1 647 . 1 1 206 206 PHE H H 1 8.325 0.01 . 1 . . . . 308 PHE H . 6628 1 648 . 1 1 206 206 PHE CA C 13 58.51 0.2 . 1 . . . . 308 PHE CA . 6628 1 649 . 1 1 206 206 PHE CB C 13 44.05 0.2 . 1 . . . . 308 PHE CB . 6628 1 650 . 1 1 206 206 PHE N N 15 123.386 0.2 . 1 . . . . 308 PHE N . 6628 1 651 . 1 1 207 207 VAL H H 1 8.245 0.01 . 1 . . . . 309 VAL H . 6628 1 652 . 1 1 207 207 VAL CA C 13 61.77 0.2 . 1 . . . . 309 VAL CA . 6628 1 653 . 1 1 207 207 VAL CB C 13 30.10 0.2 . 1 . . . . 309 VAL CB . 6628 1 654 . 1 1 207 207 VAL N N 15 128.998 0.2 . 1 . . . . 309 VAL N . 6628 1 655 . 1 1 214 214 ILE CA C 13 61.50 0.2 . 1 . . . . 316 ILE CA . 6628 1 656 . 1 1 215 215 LYS H H 1 6.689 0.01 . 1 . . . . 317 LYS H . 6628 1 657 . 1 1 215 215 LYS CA C 13 56.30 0.2 . 1 . . . . 317 LYS CA . 6628 1 658 . 1 1 215 215 LYS CB C 13 29.71 0.2 . 1 . . . . 317 LYS CB . 6628 1 659 . 1 1 215 215 LYS N N 15 115.918 0.2 . 1 . . . . 317 LYS N . 6628 1 660 . 1 1 216 216 CYS H H 1 7.662 0.01 . 1 . . . . 318 CYS H . 6628 1 661 . 1 1 216 216 CYS CA C 13 57.73 0.2 . 1 . . . . 318 CYS CA . 6628 1 662 . 1 1 216 216 CYS CB C 13 33.36 0.2 . 1 . . . . 318 CYS CB . 6628 1 663 . 1 1 216 216 CYS N N 15 117.781 0.2 . 1 . . . . 318 CYS N . 6628 1 664 . 1 1 217 217 ILE CA C 13 59.37 0.2 . 1 . . . . 319 ILE CA . 6628 1 665 . 1 1 217 217 ILE CB C 13 45.23 0.2 . 1 . . . . 319 ILE CB . 6628 1 666 . 1 1 218 218 ARG CA C 13 51.31 0.2 . 1 . . . . 320 ARG CA . 6628 1 667 . 1 1 218 218 ARG CB C 13 30.84 0.2 . 1 . . . . 320 ARG CB . 6628 1 668 . 1 1 221 221 ARG CA C 13 60.21 0.2 . 1 . . . . 323 ARG CA . 6628 1 669 . 1 1 222 222 ALA H H 1 8.580 0.01 . 1 . . . . 324 ALA H . 6628 1 670 . 1 1 222 222 ALA CA C 13 50.95 0.2 . 1 . . . . 324 ALA CA . 6628 1 671 . 1 1 222 222 ALA CB C 13 21.11 0.2 . 1 . . . . 324 ALA CB . 6628 1 672 . 1 1 222 222 ALA N N 15 129.627 0.2 . 1 . . . . 324 ALA N . 6628 1 673 . 1 1 223 223 VAL H H 1 8.197 0.01 . 1 . . . . 325 VAL H . 6628 1 674 . 1 1 223 223 VAL CA C 13 57.54 0.2 . 1 . . . . 325 VAL CA . 6628 1 675 . 1 1 223 223 VAL CB C 13 29.32 0.2 . 1 . . . . 325 VAL CB . 6628 1 676 . 1 1 223 223 VAL N N 15 120.209 0.2 . 1 . . . . 325 VAL N . 6628 1 677 . 1 1 224 224 GLU CA C 13 54.67 0.2 . 1 . . . . 326 GLU CA . 6628 1 678 . 1 1 224 224 GLU CB C 13 30.95 0.2 . 1 . . . . 326 GLU CB . 6628 1 679 . 1 1 225 225 ALA H H 1 8.295 0.01 . 1 . . . . 327 ALA H . 6628 1 680 . 1 1 225 225 ALA CA C 13 53.76 0.2 . 1 . . . . 327 ALA CA . 6628 1 681 . 1 1 225 225 ALA CB C 13 17.85 0.2 . 1 . . . . 327 ALA CB . 6628 1 682 . 1 1 225 225 ALA N N 15 121.557 0.2 . 1 . . . . 327 ALA N . 6628 1 683 . 1 1 226 226 ASP H H 1 9.082 0.01 . 1 . . . . 328 ASP H . 6628 1 684 . 1 1 226 226 ASP CA C 13 56.82 0.2 . 1 . . . . 328 ASP CA . 6628 1 685 . 1 1 226 226 ASP CB C 13 38.77 0.2 . 1 . . . . 328 ASP CB . 6628 1 686 . 1 1 226 226 ASP N N 15 116.972 0.2 . 1 . . . . 328 ASP N . 6628 1 687 . 1 1 231 231 VAL CA C 13 58.51 0.2 . 1 . . . . 333 VAL CA . 6628 1 688 . 1 1 231 231 VAL CB C 13 34.45 0.2 . 1 . . . . 333 VAL CB . 6628 1 689 . 1 1 232 232 ALA H H 1 8.529 0.01 . 1 . . . . 334 ALA H . 6628 1 690 . 1 1 232 232 ALA CA C 13 52.06 0.2 . 1 . . . . 334 ALA CA . 6628 1 691 . 1 1 232 232 ALA CB C 13 18.76 0.2 . 1 . . . . 334 ALA CB . 6628 1 692 . 1 1 232 232 ALA N N 15 123.626 0.2 . 1 . . . . 334 ALA N . 6628 1 693 . 1 1 233 233 TYR CA C 13 56.17 0.2 . 1 . . . . 335 TYR CA . 6628 1 694 . 1 1 233 233 TYR CB C 13 35.51 0.2 . 1 . . . . 335 TYR CB . 6628 1 695 . 1 1 234 234 GLY H H 1 8.757 0.01 . 1 . . . . 336 GLY H . 6628 1 696 . 1 1 234 234 GLY CA C 13 46.72 0.2 . 1 . . . . 336 GLY CA . 6628 1 697 . 1 1 234 234 GLY N N 15 108.611 0.2 . 1 . . . . 336 GLY N . 6628 1 698 . 1 1 235 235 TYR CA C 13 54.91 0.2 . 1 . . . . 337 TYR CA . 6628 1 699 . 1 1 235 235 TYR CB C 13 39.99 0.2 . 1 . . . . 337 TYR CB . 6628 1 700 . 1 1 236 236 ASP CA C 13 57.20 0.2 . 1 . . . . 338 ASP CA . 6628 1 701 . 1 1 236 236 ASP CB C 13 39.27 0.2 . 1 . . . . 338 ASP CB . 6628 1 702 . 1 1 241 241 GLY CA C 13 45.16 0.2 . 1 . . . . 343 GLY CA . 6628 1 703 . 1 1 242 242 LYS CA C 13 53.01 0.2 . 1 . . . . 344 LYS CA . 6628 1 704 . 1 1 242 242 LYS CB C 13 30.05 0.2 . 1 . . . . 344 LYS CB . 6628 1 705 . 1 1 243 243 SER CA C 13 58.12 0.2 . 1 . . . . 345 SER CA . 6628 1 706 . 1 1 243 243 SER CB C 13 63.47 0.2 . 1 . . . . 345 SER CB . 6628 1 707 . 1 1 244 244 GLY H H 1 7.968 0.01 . 1 . . . . 346 GLY H . 6628 1 708 . 1 1 244 244 GLY CA C 13 44.37 0.2 . 1 . . . . 346 GLY CA . 6628 1 709 . 1 1 244 244 GLY N N 15 111.219 0.2 . 1 . . . . 346 GLY N . 6628 1 710 . 1 1 246 246 GLU CA C 13 55.56 0.2 . 1 . . . . 348 GLU CA . 6628 1 711 . 1 1 247 247 ALA H H 1 5.857 0.01 . 1 . . . . 349 ALA H . 6628 1 712 . 1 1 247 247 ALA CA C 13 54.71 0.2 . 1 . . . . 349 ALA CA . 6628 1 713 . 1 1 247 247 ALA CB C 13 17.69 0.2 . 1 . . . . 349 ALA CB . 6628 1 714 . 1 1 247 247 ALA N N 15 125.755 0.2 . 1 . . . . 349 ALA N . 6628 1 715 . 1 1 249 249 GLU CA C 13 60.27 0.2 . 1 . . . . 351 GLU CA . 6628 1 716 . 1 1 249 249 GLU CB C 13 28.67 0.2 . 1 . . . . 351 GLU CB . 6628 1 717 . 1 1 250 250 TRP H H 1 7.855 0.01 . 1 . . . . 352 TRP H . 6628 1 718 . 1 1 250 250 TRP CA C 13 58.64 0.2 . 1 . . . . 352 TRP CA . 6628 1 719 . 1 1 250 250 TRP CB C 13 26.71 0.2 . 1 . . . . 352 TRP CB . 6628 1 720 . 1 1 250 250 TRP N N 15 115.058 0.2 . 1 . . . . 352 TRP N . 6628 1 721 . 1 1 251 251 TYR H H 1 5.700 0.01 . 1 . . . . 353 TYR H . 6628 1 722 . 1 1 251 251 TYR CA C 13 60.92 0.2 . 1 . . . . 353 TYR CA . 6628 1 723 . 1 1 251 251 TYR CB C 13 36.55 0.2 . 1 . . . . 353 TYR CB . 6628 1 724 . 1 1 251 251 TYR N N 15 126.143 0.2 . 1 . . . . 353 TYR N . 6628 1 725 . 1 1 252 252 GLN H H 1 7.490 0.01 . 1 . . . . 354 GLN H . 6628 1 726 . 1 1 252 252 GLN CA C 13 59.16 0.2 . 1 . . . . 354 GLN CA . 6628 1 727 . 1 1 252 252 GLN CB C 13 27.76 0.2 . 1 . . . . 354 GLN CB . 6628 1 728 . 1 1 252 252 GLN N N 15 119.400 0.2 . 1 . . . . 354 GLN N . 6628 1 729 . 1 1 253 253 VAL H H 1 8.248 0.01 . 1 . . . . 355 VAL H . 6628 1 730 . 1 1 253 253 VAL CA C 13 66.40 0.2 . 1 . . . . 355 VAL CA . 6628 1 731 . 1 1 253 253 VAL CB C 13 31.60 0.2 . 1 . . . . 355 VAL CB . 6628 1 732 . 1 1 253 253 VAL N N 15 120.214 0.2 . 1 . . . . 355 VAL N . 6628 1 733 . 1 1 254 254 GLU H H 1 7.607 0.01 . 1 . . . . 356 GLU H . 6628 1 734 . 1 1 254 254 GLU CA C 13 59.43 0.2 . 1 . . . . 356 GLU CA . 6628 1 735 . 1 1 254 254 GLU CB C 13 28.79 0.2 . 1 . . . . 356 GLU CB . 6628 1 736 . 1 1 254 254 GLU N N 15 121.557 0.2 . 1 . . . . 356 GLU N . 6628 1 737 . 1 1 255 255 LEU H H 1 8.826 0.01 . 1 . . . . 357 LEU H . 6628 1 738 . 1 1 255 255 LEU CA C 13 57.79 0.2 . 1 . . . . 357 LEU CA . 6628 1 739 . 1 1 255 255 LEU CB C 13 40.20 0.2 . 1 . . . . 357 LEU CB . 6628 1 740 . 1 1 255 255 LEU N N 15 123.985 0.2 . 1 . . . . 357 LEU N . 6628 1 741 . 1 1 256 256 LYS H H 1 7.723 0.01 . 1 . . . . 358 LYS H . 6628 1 742 . 1 1 256 256 LYS CA C 13 59.16 0.2 . 1 . . . . 358 LYS CA . 6628 1 743 . 1 1 256 256 LYS CB C 13 31.47 0.2 . 1 . . . . 358 LYS CB . 6628 1 744 . 1 1 256 256 LYS N N 15 119.584 0.2 . 1 . . . . 358 LYS N . 6628 1 745 . 1 1 257 257 ALA H H 1 7.569 0.01 . 1 . . . . 359 ALA H . 6628 1 746 . 1 1 257 257 ALA CA C 13 54.67 0.2 . 1 . . . . 359 ALA CA . 6628 1 747 . 1 1 257 257 ALA CB C 13 17.39 0.2 . 1 . . . . 359 ALA CB . 6628 1 748 . 1 1 257 257 ALA N N 15 121.772 0.2 . 1 . . . . 359 ALA N . 6628 1 749 . 1 1 258 258 PHE H H 1 8.375 0.01 . 1 . . . . 360 PHE H . 6628 1 750 . 1 1 258 258 PHE CA C 13 60.27 0.2 . 1 . . . . 360 PHE CA . 6628 1 751 . 1 1 258 258 PHE CB C 13 38.96 0.2 . 1 . . . . 360 PHE CB . 6628 1 752 . 1 1 258 258 PHE N N 15 121.252 0.2 . 1 . . . . 360 PHE N . 6628 1 753 . 1 1 259 259 GLN H H 1 8.677 0.01 . 1 . . . . 361 GLN H . 6628 1 754 . 1 1 259 259 GLN CA C 13 58.06 0.2 . 1 . . . . 361 GLN CA . 6628 1 755 . 1 1 259 259 GLN CB C 13 27.43 0.2 . 1 . . . . 361 GLN CB . 6628 1 756 . 1 1 259 259 GLN N N 15 119.683 0.2 . 1 . . . . 361 GLN N . 6628 1 757 . 1 1 260 260 ALA H H 1 7.505 0.01 . 1 . . . . 362 ALA H . 6628 1 758 . 1 1 260 260 ALA CA C 13 53.89 0.2 . 1 . . . . 362 ALA CA . 6628 1 759 . 1 1 260 260 ALA CB C 13 17.59 0.2 . 1 . . . . 362 ALA CB . 6628 1 760 . 1 1 260 260 ALA N N 15 121.288 0.2 . 1 . . . . 362 ALA N . 6628 1 761 . 1 1 261 261 THR H H 1 7.511 0.01 . 1 . . . . 363 THR H . 6628 1 762 . 1 1 261 261 THR CA C 13 62.75 0.2 . 1 . . . . 363 THR CA . 6628 1 763 . 1 1 261 261 THR CB C 13 69.79 0.2 . 1 . . . . 363 THR CB . 6628 1 764 . 1 1 261 261 THR N N 15 109.899 0.2 . 1 . . . . 363 THR N . 6628 1 765 . 1 1 262 262 GLN H H 1 7.444 0.01 . 1 . . . . 364 GLN H . 6628 1 766 . 1 1 262 262 GLN CA C 13 55.32 0.2 . 1 . . . . 364 GLN CA . 6628 1 767 . 1 1 262 262 GLN CB C 13 28.60 0.2 . 1 . . . . 364 GLN CB . 6628 1 768 . 1 1 262 262 GLN N N 15 120.990 0.2 . 1 . . . . 364 GLN N . 6628 1 769 . 1 1 263 263 GLN H H 1 7.888 0.01 . 1 . . . . 365 GLN H . 6628 1 770 . 1 1 263 263 GLN CA C 13 55.58 0.2 . 1 . . . . 365 GLN CA . 6628 1 771 . 1 1 263 263 GLN CB C 13 28.60 0.2 . 1 . . . . 365 GLN CB . 6628 1 772 . 1 1 263 263 GLN N N 15 121.557 0.2 . 1 . . . . 365 GLN N . 6628 1 773 . 1 1 264 264 LYS H H 1 7.885 0.01 . 1 . . . . 366 LYS H . 6628 1 774 . 1 1 264 264 LYS CA C 13 57.40 0.2 . 1 . . . . 366 LYS CA . 6628 1 775 . 1 1 264 264 LYS CB C 13 32.84 0.2 . 1 . . . . 366 LYS CB . 6628 1 776 . 1 1 264 264 LYS N N 15 128.824 0.2 . 1 . . . . 366 LYS N . 6628 1 stop_ save_