data_17781 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; structure of ; _BMRB_accession_number 17781 _BMRB_flat_file_name bmr17781.str _Entry_type original _Submission_date 2011-07-14 _Accession_date 2011-07-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sprangers Remco . . 2 Mund Markus . . 3 Neu Ancilla . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 198 "13C chemical shifts" 620 "15N chemical shifts" 198 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-15 udpate BMRB 'update entry citation' 2011-10-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17882 lsm57 stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the LSm657 complex: an assembly intermediate of the LSm1-7 and LSm2-8 rings.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22001694 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mund Markus . . 2 Neu Ancilla . . 3 Ullmann Janina . . 4 Neu Ursula . . 5 Sprangers Remco . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 414 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 165 _Page_last 176 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hexamer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label lsm5 $lsm lsm6 $lsm lsm7 $lsm stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_lsm _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common lsm _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 276 _Mol_residue_sequence ; GAMSMTILPLELIDKCIGSN LWVIMKSEREFAGTLVGFDD YVNIVLKDVTEYDTVTGVTE KHSEMLLNGNGMCMLIPGGK PEGAMDSSPNEFLNKVIGKK VLIRLSSGVDYKGILSCLDG YMNLALERTEEYVNGKKTNV YGDAFIRGNNVLYVSALDDG AMGMSSLQKRPGPGNSSQPT ERPRKESILDLSRYQDQRIQ ATFTGGRQITGILKGFDQLM NLVLDDVEEQLRNPEDGKLT GAIRKLGLVVVRGTTLVLIA PMDGSEEIPNPFVQAE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . ALA 3 801 MET 4 802 SER 5 803 MET 6 804 THR 7 805 ILE 8 806 LEU 9 807 PRO 10 808 LEU 11 809 GLU 12 810 LEU 13 811 ILE 14 812 ASP 15 813 LYS 16 814 CYS 17 815 ILE 18 816 GLY 19 817 SER 20 818 ASN 21 819 LEU 22 820 TRP 23 821 VAL 24 822 ILE 25 823 MET 26 824 LYS 27 825 SER 28 826 GLU 29 827 ARG 30 828 GLU 31 829 PHE 32 830 ALA 33 831 GLY 34 832 THR 35 833 LEU 36 834 VAL 37 835 GLY 38 836 PHE 39 837 ASP 40 838 ASP 41 839 TYR 42 840 VAL 43 841 ASN 44 842 ILE 45 843 VAL 46 844 LEU 47 845 LYS 48 846 ASP 49 847 VAL 50 848 THR 51 849 GLU 52 850 TYR 53 851 ASP 54 852 THR 55 853 VAL 56 854 THR 57 855 GLY 58 856 VAL 59 857 THR 60 858 GLU 61 859 LYS 62 860 HIS 63 861 SER 64 862 GLU 65 863 MET 66 864 LEU 67 865 LEU 68 866 ASN 69 867 GLY 70 868 ASN 71 869 GLY 72 870 MET 73 871 CYS 74 872 MET 75 873 LEU 76 874 ILE 77 875 PRO 78 876 GLY 79 877 GLY 80 878 LYS 81 . PRO 82 . GLU 83 . GLY 84 . ALA 85 1001 MET 86 1002 ASP 87 1003 SER 88 1004 SER 89 1005 PRO 90 1006 ASN 91 1007 GLU 92 1008 PHE 93 1009 LEU 94 1010 ASN 95 1011 LYS 96 1012 VAL 97 1013 ILE 98 1014 GLY 99 1015 LYS 100 1016 LYS 101 1017 VAL 102 1018 LEU 103 1019 ILE 104 1020 ARG 105 1021 LEU 106 1022 SER 107 1023 SER 108 1024 GLY 109 1025 VAL 110 1026 ASP 111 1027 TYR 112 1028 LYS 113 1029 GLY 114 1030 ILE 115 1031 LEU 116 1032 SER 117 1033 CYS 118 1034 LEU 119 1035 ASP 120 1036 GLY 121 1037 TYR 122 1038 MET 123 1039 ASN 124 1040 LEU 125 1041 ALA 126 1042 LEU 127 1043 GLU 128 1044 ARG 129 1045 THR 130 1046 GLU 131 1047 GLU 132 1048 TYR 133 1049 VAL 134 1050 ASN 135 1051 GLY 136 1052 LYS 137 1053 LYS 138 1054 THR 139 1055 ASN 140 1056 VAL 141 1057 TYR 142 1058 GLY 143 1059 ASP 144 1060 ALA 145 1061 PHE 146 1062 ILE 147 1063 ARG 148 1064 GLY 149 1065 ASN 150 1066 ASN 151 1067 VAL 152 1068 LEU 153 1069 TYR 154 1070 VAL 155 1071 SER 156 . ALA 157 . LEU 158 . ASP 159 . ASP 160 . GLY 161 . ALA 162 . MET 163 . GLY 164 1201 MET 165 1202 SER 166 1203 SER 167 1204 LEU 168 1205 GLN 169 1206 LYS 170 1207 ARG 171 1208 PRO 172 1209 GLY 173 1210 PRO 174 1211 GLY 175 1212 ASN 176 1213 SER 177 1214 SER 178 1215 GLN 179 1216 PRO 180 1217 THR 181 1218 GLU 182 1219 ARG 183 1220 PRO 184 1221 ARG 185 1222 LYS 186 1223 GLU 187 1224 SER 188 1225 ILE 189 1226 LEU 190 1227 ASP 191 1228 LEU 192 1229 SER 193 1230 ARG 194 1231 TYR 195 1232 GLN 196 1233 ASP 197 1234 GLN 198 1235 ARG 199 1236 ILE 200 1237 GLN 201 1238 ALA 202 1239 THR 203 1240 PHE 204 1241 THR 205 1242 GLY 206 1243 GLY 207 1244 ARG 208 1245 GLN 209 1246 ILE 210 1247 THR 211 1248 GLY 212 1249 ILE 213 1250 LEU 214 1251 LYS 215 1252 GLY 216 1253 PHE 217 1254 ASP 218 1255 GLN 219 1256 LEU 220 1257 MET 221 1258 ASN 222 1259 LEU 223 1260 VAL 224 1261 LEU 225 1262 ASP 226 1263 ASP 227 1264 VAL 228 1265 GLU 229 1266 GLU 230 1267 GLN 231 1268 LEU 232 1269 ARG 233 1270 ASN 234 1271 PRO 235 1272 GLU 236 1273 ASP 237 1274 GLY 238 1275 LYS 239 1276 LEU 240 1277 THR 241 1278 GLY 242 1279 ALA 243 1280 ILE 244 1281 ARG 245 1282 LYS 246 1283 LEU 247 1284 GLY 248 1285 LEU 249 1286 VAL 250 1287 VAL 251 1288 VAL 252 1289 ARG 253 1290 GLY 254 1291 THR 255 1292 THR 256 1293 LEU 257 1294 VAL 258 1295 LEU 259 1296 ILE 260 1297 ALA 261 1298 PRO 262 1299 MET 263 1300 ASP 264 1301 GLY 265 1302 SER 266 1303 GLU 267 1304 GLU 268 1305 ILE 269 1306 PRO 270 1307 ASN 271 1308 PRO 272 1309 PHE 273 1310 VAL 274 1311 GLN 275 1312 ALA 276 1313 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lsm 'Schizosaccharomyces pombe' 4896 Eukaryota Fungi Schizosaccharomyces pombe stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $lsm 'recombinant technology' . Escherichia coli . pet stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $lsm 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' NaPO4 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' NaN3 0.03 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.69 na indirect . . . 0.251449530 water H 1 protons ppm 4.69 na direct . . . 1.000000000 water N 15 protons ppm 4.69 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name lsm5 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 804 6 THR C C 180.798 0.05 1 2 804 6 THR CA C 59.439 0.05 1 3 804 6 THR CB C 67.055 0.05 1 4 805 7 ILE H H 7.856 0.02 1 5 805 7 ILE C C 180.695 0.001 1 6 805 7 ILE CA C 57.276 0.05 1 7 805 7 ILE CB C 36.104 0.05 1 8 805 7 ILE N N 125.108 0.03 1 9 806 8 LEU H H 8.225 0.02 1 10 806 8 LEU C C 178.095 0.05 1 11 806 8 LEU CA C 48.985 0.05 1 12 806 8 LEU CB C 37.732 0.05 1 13 806 8 LEU N N 126.766 0.03 1 14 807 9 PRO C C 177.198 0.05 1 15 807 9 PRO CA C 62.867 0.05 1 16 807 9 PRO CB C 28.868 0.05 1 17 808 10 LEU H H 9.519 0.02 1 18 808 10 LEU C C 174.521 0.05 1 19 808 10 LEU CA C 54.723 0.05 1 20 808 10 LEU CB C 36.330 0.012 1 21 808 10 LEU N N 115.155 0.03 1 22 809 11 GLU H H 7.070 0.02 1 23 809 11 GLU C C 175.516 0.005 1 24 809 11 GLU CA C 55.925 0.05 1 25 809 11 GLU CB C 25.972 0.012 1 26 809 11 GLU N N 119.749 0.03 1 27 810 12 LEU H H 7.333 0.02 1 28 810 12 LEU C C 175.671 0.05 1 29 810 12 LEU CA C 54.693 0.05 1 30 810 12 LEU CB C 37.760 0.048 1 31 810 12 LEU N N 120.405 0.03 1 32 811 13 ILE H H 7.221 0.02 1 33 811 13 ILE C C 176.732 0.015 1 34 811 13 ILE CA C 60.731 0.05 1 35 811 13 ILE CB C 32.293 0.012 1 36 811 13 ILE N N 117.397 0.03 1 37 812 14 ASP H H 7.669 0.02 1 38 812 14 ASP C C 175.620 0.004 1 39 812 14 ASP CA C 55.204 0.05 1 40 812 14 ASP CB C 39.490 0.024 1 41 812 14 ASP N N 120.514 0.03 1 42 813 15 LYS H H 7.321 0.02 1 43 813 15 LYS C C 177.292 0.019 1 44 813 15 LYS CA C 54.633 0.05 1 45 813 15 LYS CB C 28.904 0.012 1 46 813 15 LYS N N 115.921 0.03 1 47 814 16 CYS H H 7.666 0.02 1 48 814 16 CYS C C 179.724 0.05 1 49 814 16 CYS CA C 56.225 0.05 1 50 814 16 CYS CB C 24.807 0.05 1 51 814 16 CYS N N 116.905 0.03 1 52 815 17 ILE H H 7.343 0.02 1 53 815 17 ILE C C 176.703 0.004 1 54 815 17 ILE CA C 61.240 0.05 1 55 815 17 ILE CB C 33.158 0.012 1 56 815 17 ILE N N 122.921 0.03 1 57 816 18 GLY H H 9.471 0.02 1 58 816 18 GLY C C 180.727 0.005 1 59 816 18 GLY CA C 42.317 0.05 1 60 816 18 GLY N N 117.767 0.03 1 61 817 19 SER H H 8.650 0.02 1 62 817 19 SER C C 172.198 0.005 1 63 817 19 SER CA C 54.302 0.05 1 64 817 19 SER CB C 62.236 0.061 1 65 817 19 SER N N 117.944 0.03 1 66 818 20 ASN H H 8.192 0.02 1 67 818 20 ASN C C 180.280 0.009 1 68 818 20 ASN CA C 51.178 0.05 1 69 818 20 ASN CB C 36.534 0.024 1 70 818 20 ASN N N 119.272 0.03 1 71 819 21 LEU H H 9.039 0.02 1 72 819 21 LEU C C 171.034 0.05 1 73 819 21 LEU CA C 51.809 0.05 1 74 819 21 LEU CB C 43.852 0.060 1 75 819 21 LEU N N 123.413 0.03 1 76 820 22 TRP H H 7.974 0.02 1 77 820 22 TRP C C 180.699 0.015 1 78 820 22 TRP CA C 50.217 0.05 1 79 820 22 TRP CB C 28.736 0.012 1 80 820 22 TRP N N 128.280 0.03 1 81 821 23 VAL H H 10.004 0.02 1 82 821 23 VAL C C 180.077 0.014 1 83 821 23 VAL CA C 58.208 0.05 1 84 821 23 VAL CB C 31.560 0.024 1 85 821 23 VAL N N 127.952 0.03 1 86 822 24 ILE H H 8.818 0.02 1 87 822 24 ILE C C 178.065 0.009 1 88 822 24 ILE CA C 58.027 0.05 1 89 822 24 ILE CB C 36.654 0.024 1 90 822 24 ILE N N 127.022 0.03 1 91 823 25 MET H H 7.723 0.02 1 92 823 25 MET C C 179.436 0.015 1 93 823 25 MET CA C 51.118 0.05 1 94 823 25 MET CB C 27.655 0.060 1 95 823 25 MET N N 125.053 0.03 1 96 824 26 LYS H H 8.225 0.02 1 97 824 26 LYS C C 176.915 0.003 1 98 824 26 LYS CA C 56.255 0.05 1 99 824 26 LYS CB C 28.754 0.05 1 100 824 26 LYS N N 117.342 0.03 1 101 825 27 SER H H 7.259 0.02 1 102 825 27 SER C C 180.132 0.05 1 103 825 27 SER CA C 53.702 0.05 1 104 825 27 SER CB C 61.147 0.05 1 105 825 27 SER N N 114.089 0.03 1 106 826 28 GLU C C 178.414 0.05 1 107 826 28 GLU CA C 53.309 0.05 1 108 826 28 GLU CB C 23.917 0.05 1 109 827 29 ARG H H 8.296 0.02 1 110 827 29 ARG C C 180.301 0.05 1 111 827 29 ARG CA C 52.233 0.05 1 112 827 29 ARG CB C 30.645 0.05 1 113 827 29 ARG N N 125.108 0.03 1 114 828 30 GLU H H 8.483 0.02 1 115 828 30 GLU C C 180.377 0.05 1 116 828 30 GLU CA C 50.578 0.05 1 117 828 30 GLU CB C 31.124 0.05 1 118 828 30 GLU N N 120.301 0.03 1 119 829 31 PHE H H 9.345 0.02 1 120 829 31 PHE C C 179.916 0.05 1 121 829 31 PHE CA C 54.002 0.05 1 122 829 31 PHE CB C 40.892 0.05 1 123 829 31 PHE N N 117.178 0.03 1 124 830 32 ALA H H 9.153 0.02 1 125 830 32 ALA C C 178.311 0.05 1 126 830 32 ALA CA C 48.264 0.05 1 127 830 32 ALA CB C 19.057 0.05 1 128 830 32 ALA N N 124.288 0.03 1 129 831 33 GLY H H 8.385 0.02 1 130 831 33 GLY C C 173.870 0.05 1 131 831 33 GLY CA C 43.278 0.05 1 132 831 33 GLY N N 108.811 0.03 1 133 832 34 THR H H 8.999 0.02 1 134 832 34 THR C C 179.982 0.05 1 135 832 34 THR CA C 59.589 0.05 1 136 832 34 THR CB C 66.390 0.05 1 137 832 34 THR N N 119.202 0.03 1 138 833 35 LEU H H 8.602 0.02 1 139 833 35 LEU C C 178.846 0.05 1 140 833 35 LEU CA C 53.311 0.05 1 141 833 35 LEU CB C 37.732 0.05 1 142 833 35 LEU N N 129.155 0.03 1 143 834 36 VAL C C 178.433 0.05 1 144 834 36 VAL CA C 59.882 0.05 1 145 834 36 VAL CB C 29.637 0.05 1 146 835 37 GLY H H 7.269 0.02 1 147 835 37 GLY C C 173.982 0.05 1 148 835 37 GLY CA C 43.008 0.05 1 149 835 37 GLY N N 103.999 0.03 1 150 836 38 PHE H H 8.256 0.02 1 151 836 38 PHE C C 171.757 0.05 1 152 836 38 PHE CA C 53.401 0.05 1 153 836 38 PHE CB C 38.761 0.05 1 154 836 38 PHE N N 115.647 0.03 1 155 837 39 ASP H H 7.924 0.02 1 156 837 39 ASP C C 176.809 0.05 1 157 837 39 ASP CA C 49.136 0.05 1 158 837 39 ASP CB C 40.389 0.05 1 159 837 39 ASP N N 119.967 0.03 1 160 838 40 ASP H H 8.096 0.02 1 161 838 40 ASP C C 178.123 0.05 1 162 838 40 ASP CA C 53.521 0.05 1 163 838 40 ASP CB C 36.989 0.05 1 164 838 40 ASP N N 115.811 0.03 1 165 839 41 TYR H H 7.848 0.02 1 166 839 41 TYR C C 180.029 0.05 1 167 839 41 TYR CA C 54.002 0.05 1 168 839 41 TYR CB C 34.404 0.05 1 169 839 41 TYR N N 119.749 0.03 1 170 840 42 VAL H H 8.471 0.02 1 171 840 42 VAL C C 178.555 0.05 1 172 840 42 VAL CA C 61.332 0.05 1 173 840 42 VAL CB C 26.192 0.05 1 174 840 42 VAL N N 117.671 0.03 1 175 841 43 ASN H H 8.226 0.02 1 176 841 43 ASN C C 178.018 0.05 1 177 841 43 ASN CA C 51.268 0.05 1 178 841 43 ASN CB C 34.739 0.05 1 179 841 43 ASN N N 115.046 0.03 1 180 842 44 ILE H H 8.059 0.02 1 181 842 44 ILE C C 171.147 0.05 1 182 842 44 ILE CA C 56.165 0.05 1 183 842 44 ILE CB C 37.420 0.05 1 184 842 44 ILE N N 116.052 0.03 1 185 843 45 VAL H H 8.307 0.02 1 186 843 45 VAL C C 179.269 0.05 1 187 843 45 VAL CA C 57.787 0.05 1 188 843 45 VAL CB C 29.184 0.05 1 189 843 45 VAL N N 123.741 0.03 1 190 844 46 LEU H H 8.567 0.02 1 191 844 46 LEU C C 180.280 0.05 1 192 844 46 LEU CA C 49.406 0.05 1 193 844 46 LEU CB C 45.154 0.05 1 194 844 46 LEU N N 127.569 0.03 1 195 845 47 LYS H H 8.914 0.02 1 196 845 47 LYS C C 178.837 0.05 1 197 845 47 LYS CA C 51.188 0.05 1 198 845 47 LYS CB C 33.518 0.05 1 199 845 47 LYS N N 120.132 0.03 1 200 846 48 ASP H H 8.700 0.02 1 201 846 48 ASP C C 179.278 0.05 1 202 846 48 ASP CA C 53.585 0.05 1 203 846 48 ASP CB C 35.649 0.05 1 204 846 48 ASP N N 122.866 0.03 1 205 847 49 VAL H H 8.301 0.02 1 206 847 49 VAL C C 177.316 0.05 1 207 847 49 VAL CA C 57.847 0.05 1 208 847 49 VAL CB C 32.728 0.05 1 209 847 49 VAL N N 121.034 0.03 1 210 848 50 THR H H 9.282 0.02 1 211 848 50 THR C C 172.903 0.05 1 212 848 50 THR CA C 59.920 0.05 1 213 848 50 THR CB C 66.726 0.05 1 214 848 50 THR N N 123.686 0.03 1 215 849 51 GLU H H 9.314 0.02 1 216 849 51 GLU C C 180.921 0.05 1 217 849 51 GLU CA C 50.848 0.05 1 218 849 51 GLU CB C 28.801 0.05 1 219 849 51 GLU N N 130.686 0.03 1 220 850 52 TYR H H 9.053 0.02 1 221 850 52 TYR C C 179.916 0.05 1 222 850 52 TYR CA C 53.792 0.05 1 223 850 52 TYR CB C 36.008 0.05 1 224 850 52 TYR N N 124.616 0.03 1 225 851 53 ASP H H 7.961 0.02 1 226 851 53 ASP C C 176.076 0.05 1 227 851 53 ASP CA C 50.277 0.05 1 228 851 53 ASP CB C 38.354 0.05 1 229 851 53 ASP N N 123.686 0.03 1 230 852 54 THR H H 7.737 0.02 1 231 852 54 THR C C 179.015 0.05 1 232 852 54 THR CA C 60.611 0.05 1 233 852 54 THR CB C 64.188 0.05 1 234 852 54 THR N N 116.413 0.03 1 235 853 55 VAL H H 8.640 0.02 1 236 853 55 VAL C C 176.536 0.05 1 237 853 55 VAL CA C 62.533 0.05 1 238 853 55 VAL CB C 28.514 0.05 1 239 853 55 VAL N N 123.019 0.03 1 240 854 56 THR H H 7.845 0.02 1 241 854 56 THR C C 177.776 0.05 1 242 854 56 THR CA C 59.469 0.05 1 243 854 56 THR CB C 67.300 0.05 1 244 854 56 THR N N 109.139 0.03 1 245 855 57 GLY H H 8.056 0.02 1 246 855 57 GLY C C 180.367 0.05 1 247 855 57 GLY CA C 42.887 0.05 1 248 855 57 GLY N N 111.491 0.03 1 249 856 58 VAL H H 7.449 0.02 1 250 856 58 VAL C C 178.884 0.05 1 251 856 58 VAL CA C 60.581 0.05 1 252 856 58 VAL CB C 29.424 0.05 1 253 856 58 VAL N N 121.663 0.03 1 254 857 59 THR H H 7.896 0.02 1 255 857 59 THR C C 180.386 0.05 1 256 857 59 THR CA C 55.925 0.05 1 257 857 59 THR CB C 68.976 0.05 1 258 857 59 THR N N 117.288 0.03 1 259 858 60 GLU H H 8.577 0.02 1 260 858 60 GLU C C 180.546 0.05 1 261 858 60 GLU CA C 52.079 0.05 1 262 858 60 GLU CB C 30.884 0.05 1 263 858 60 GLU N N 121.034 0.03 1 264 859 61 LYS H H 8.237 0.02 1 265 859 61 LYS C C 178.395 0.05 1 266 859 61 LYS CA C 51.359 0.05 1 267 859 61 LYS CB C 31.124 0.05 1 268 859 61 LYS N N 122.210 0.03 1 269 860 62 HIS H H 8.628 0.02 1 270 860 62 HIS C C 179.128 0.05 1 271 860 62 HIS CA C 52.170 0.05 1 272 860 62 HIS CB C 31.746 0.05 1 273 860 62 HIS N N 119.113 0.03 1 274 861 63 SER C C 178.046 0.05 1 275 861 63 SER CA C 57.922 0.05 1 276 861 63 SER CB C 59.701 0.05 1 277 862 64 GLU H H 8.328 0.02 1 278 862 64 GLU C C 171.501 0.014 1 279 862 64 GLU CA C 54.182 0.05 1 280 862 64 GLU CB C 29.855 0.05 1 281 862 64 GLU N N 123.440 0.03 1 282 863 65 MET H H 8.520 0.02 1 283 863 65 MET C C 173.738 0.05 1 284 863 65 MET CA C 51.238 0.05 1 285 863 65 MET CB C 34.236 0.05 1 286 863 65 MET N N 120.596 0.03 1 287 864 66 LEU H H 8.379 0.02 1 288 864 66 LEU C C 180.508 0.05 1 289 864 66 LEU CA C 49.947 0.05 1 290 864 66 LEU CB C 41.419 0.05 1 291 864 66 LEU N N 123.877 0.03 1 292 865 67 LEU H H 9.147 0.02 1 293 865 67 LEU C C 179.663 0.05 1 294 865 67 LEU CA C 50.427 0.05 1 295 865 67 LEU CB C 41.036 0.05 1 296 865 67 LEU N N 128.936 0.03 1 297 866 68 ASN H H 7.509 0.02 1 298 866 68 ASN C C 176.931 0.05 1 299 866 68 ASN CA C 51.268 0.05 1 300 866 68 ASN CB C 36.511 0.05 1 301 866 68 ASN N N 123.850 0.03 1 302 867 69 GLY H H 9.699 0.02 1 303 867 69 GLY C C 177.372 0.05 1 304 867 69 GLY CA C 44.359 0.05 1 305 867 69 GLY N N 114.936 0.03 1 306 868 70 ASN H H 8.527 0.02 1 307 868 70 ASN C C 178.264 0.05 1 308 868 70 ASN CA C 53.011 0.05 1 309 868 70 ASN CB C 35.529 0.05 1 310 868 70 ASN N N 118.874 0.03 1 311 869 71 GLY H H 7.751 0.02 1 312 869 71 GLY C C 171.184 0.05 1 313 869 71 GLY CA C 41.986 0.05 1 314 869 71 GLY N N 104.928 0.03 1 315 870 72 MET H H 6.995 0.02 1 316 870 72 MET C C 179.682 0.05 1 317 870 72 MET CA C 53.642 0.05 1 318 870 72 MET CB C 31.962 0.05 1 319 870 72 MET N N 120.296 0.03 1 320 871 73 CYS H H 8.530 0.02 1 321 871 73 CYS C C 180.808 0.05 1 322 871 73 CYS CA C 57.547 0.05 1 323 871 73 CYS CB C 24.899 0.05 1 324 871 73 CYS N N 117.096 0.03 1 325 872 74 MET H H 7.411 0.02 1 326 872 74 MET C C 171.428 0.05 1 327 872 74 MET CA C 51.088 0.05 1 328 872 74 MET CB C 37.516 0.05 1 329 872 74 MET N N 114.061 0.03 1 330 873 75 LEU H H 9.225 0.02 1 331 873 75 LEU C C 179.663 0.05 1 332 873 75 LEU CA C 52.500 0.05 1 333 873 75 LEU CB C 40.509 0.05 1 334 873 75 LEU N N 122.374 0.03 1 335 874 76 ILE H H 9.608 0.02 1 336 874 76 ILE CA C 56.886 0.05 1 337 874 76 ILE CB C 35.765 0.05 1 338 874 76 ILE N N 124.561 0.03 1 339 875 77 PRO C C 177.550 0.05 1 340 875 77 PRO CA C 60.881 0.05 1 341 875 77 PRO CB C 29.325 0.05 1 342 876 78 GLY H H 8.499 0.02 1 343 876 78 GLY C C 173.129 0.05 1 344 876 78 GLY CA C 42.437 0.05 1 345 876 78 GLY N N 113.132 0.03 1 346 877 79 GLY H H 7.371 0.02 1 347 877 79 GLY C C 173.129 0.05 1 348 877 79 GLY CA C 41.536 0.05 1 349 877 79 GLY N N 105.257 0.03 1 350 878 80 LYS H H 7.861 0.02 1 351 878 80 LYS C C 180.330 0.05 1 352 878 80 LYS CA C 50.788 0.05 1 353 878 80 LYS CB C 30.453 0.05 1 354 878 80 LYS N N 121.882 0.03 1 355 1009 93 LEU C C 176.687 0.05 1 356 1009 93 LEU CA C 53.702 0.05 1 357 1009 93 LEU CB C 38.306 0.05 1 358 1010 94 ASN H H 7.669 0.02 1 359 1010 94 ASN C C 176.621 0.05 1 360 1010 94 ASN CA C 53.251 0.05 1 361 1010 94 ASN CB C 35.936 0.05 1 362 1010 94 ASN N N 113.842 0.03 1 363 1011 95 LYS H H 7.603 0.02 1 364 1011 95 LYS C C 176.640 0.05 1 365 1011 95 LYS CA C 55.534 0.05 1 366 1011 95 LYS CB C 28.490 0.05 1 367 1011 95 LYS N N 119.530 0.03 1 368 1012 96 VAL H H 7.011 0.02 1 369 1012 96 VAL C C 179.860 0.05 1 370 1012 96 VAL CA C 57.907 0.05 1 371 1012 96 VAL CB C 27.317 0.05 1 372 1012 96 VAL N N 111.600 0.03 1 373 1013 97 ILE H H 6.697 0.02 1 374 1013 97 ILE C C 176.442 0.05 1 375 1013 97 ILE CA C 61.001 0.05 1 376 1013 97 ILE CB C 33.518 0.05 1 377 1013 97 ILE N N 122.046 0.03 1 378 1014 98 GLY H H 9.619 0.02 1 379 1014 98 GLY C C 180.865 0.05 1 380 1014 98 GLY CA C 42.166 0.05 1 381 1014 98 GLY N N 117.342 0.03 1 382 1015 99 LYS H H 8.418 0.02 1 383 1015 99 LYS C C 180.170 0.05 1 384 1015 99 LYS CA C 51.058 0.05 1 385 1015 99 LYS CB C 30.429 0.05 1 386 1015 99 LYS N N 121.541 0.03 1 387 1016 100 LYS H H 8.229 0.02 1 388 1016 100 LYS C C 178.320 0.05 1 389 1016 100 LYS CA C 53.642 0.05 1 390 1016 100 LYS CB C 29.855 0.05 1 391 1016 100 LYS N N 120.186 0.03 1 392 1017 101 VAL H H 8.913 0.02 1 393 1017 101 VAL C C 171.513 0.05 1 394 1017 101 VAL CA C 56.075 0.05 1 395 1017 101 VAL CB C 32.632 0.05 1 396 1017 101 VAL N N 116.850 0.03 1 397 1018 102 LEU H H 8.807 0.02 1 398 1018 102 LEU C C 179.719 0.05 1 399 1018 102 LEU CA C 50.578 0.05 1 400 1018 102 LEU CB C 41.993 0.05 1 401 1018 102 LEU N N 122.264 0.03 1 402 1019 103 ILE H H 9.694 0.02 1 403 1019 103 ILE C C 171.016 0.009 1 404 1019 103 ILE CA C 56.826 0.05 1 405 1019 103 ILE CB C 37.013 0.05 1 406 1019 103 ILE N N 129.046 0.03 1 407 1020 104 ARG H H 7.090 0.02 1 408 1020 104 ARG C C 178.546 0.05 1 409 1020 104 ARG CA C 51.869 0.05 1 410 1020 104 ARG CB C 28.083 0.05 1 411 1020 104 ARG N N 127.350 0.03 1 412 1021 105 LEU H H 8.872 0.02 1 413 1021 105 LEU C C 175.795 0.05 1 414 1021 105 LEU CA C 47.934 0.05 1 415 1021 105 LEU CB C 39.479 0.05 1 416 1021 105 LEU N N 124.708 0.03 1 417 1023 107 SER C C 179.177 0.05 1 418 1023 107 SER CA C 55.148 0.05 1 419 1023 107 SER CB C 60.662 0.05 1 420 1024 108 GLY H H 8.023 0.02 1 421 1024 108 GLY C C 171.275 0.005 1 422 1024 108 GLY CA C 42.587 0.05 1 423 1024 108 GLY N N 110.507 0.03 1 424 1025 109 VAL H H 6.759 0.02 1 425 1025 109 VAL C C 171.765 0.014 1 426 1025 109 VAL CA C 60.100 0.05 1 427 1025 109 VAL CB C 30.154 0.036 1 428 1025 109 VAL N N 123.249 0.03 1 429 1026 110 ASP H H 8.383 0.02 1 430 1026 110 ASP C C 179.419 0.05 1 431 1026 110 ASP CA C 49.766 0.05 1 432 1026 110 ASP CB C 42.353 0.05 1 433 1026 110 ASP N N 124.999 0.03 1 434 1027 111 TYR H H 9.473 0.02 1 435 1027 111 TYR C C 178.884 0.05 1 436 1027 111 TYR CA C 53.491 0.05 1 437 1027 111 TYR CB C 38.067 0.05 1 438 1027 111 TYR N N 117.780 0.03 1 439 1028 112 LYS H H 9.096 0.02 1 440 1028 112 LYS C C 178.409 0.005 1 441 1028 112 LYS CA C 51.599 0.05 1 442 1028 112 LYS CB C 33.326 0.05 1 443 1028 112 LYS N N 120.624 0.03 1 444 1029 113 GLY H H 8.131 0.02 1 445 1029 113 GLY C C 173.973 0.05 1 446 1029 113 GLY CA C 42.617 0.05 1 447 1029 113 GLY N N 108.428 0.03 1 448 1030 114 ILE H H 8.694 0.02 1 449 1030 114 ILE C C 177.973 0.05 1 450 1030 114 ILE CA C 56.345 0.05 1 451 1030 114 ILE CB C 35.218 0.05 1 452 1030 114 ILE N N 120.670 0.03 1 453 1031 115 LEU H H 8.156 0.02 1 454 1031 115 LEU C C 179.347 0.019 1 455 1031 115 LEU CA C 53.191 0.05 1 456 1031 115 LEU CB C 37.851 0.05 1 457 1031 115 LEU N N 129.155 0.03 1 458 1032 116 SER H H 9.422 0.02 1 459 1032 116 SER C C 179.592 0.014 1 460 1032 116 SER CA C 56.676 0.05 1 461 1032 116 SER CB C 61.483 0.096 1 462 1032 116 SER N N 125.764 0.03 1 463 1033 117 CYS H H 7.819 0.02 1 464 1033 117 CYS C C 174.195 0.003 1 465 1033 117 CYS CA C 54.813 0.05 1 466 1033 117 CYS CB C 26.484 0.077 1 467 1033 117 CYS N N 114.225 0.03 1 468 1034 118 LEU H H 8.191 0.02 1 469 1034 118 LEU C C 179.134 0.006 1 470 1034 118 LEU CA C 51.959 0.05 1 471 1034 118 LEU CB C 42.076 0.035 1 472 1034 118 LEU N N 119.803 0.03 1 473 1035 119 ASP H H 7.957 0.02 1 474 1035 119 ASP C C 176.283 0.05 1 475 1035 119 ASP CA C 49.076 0.05 1 476 1035 119 ASP CB C 40.222 0.05 1 477 1035 119 ASP N N 120.624 0.03 1 478 1036 120 GLY C C 180.082 0.05 1 479 1036 120 GLY CA C 42.887 0.05 1 480 1037 121 TYR H H 8.448 0.02 1 481 1037 121 TYR C C 179.297 0.05 1 482 1037 121 TYR CA C 54.212 0.05 1 483 1037 121 TYR CB C 34.763 0.05 1 484 1037 121 TYR N N 121.280 0.03 1 485 1038 122 MET H H 8.027 0.02 1 486 1038 122 MET C C 179.334 0.05 1 487 1038 122 MET CA C 54.843 0.05 1 488 1038 122 MET CB C 27.979 0.024 1 489 1038 122 MET N N 114.772 0.03 1 490 1039 123 ASN H H 8.570 0.02 1 491 1039 123 ASN C C 180.855 0.05 1 492 1039 123 ASN CA C 51.419 0.05 1 493 1039 123 ASN CB C 34.924 0.05 1 494 1039 123 ASN N N 117.944 0.03 1 495 1040 124 LEU H H 9.074 0.02 1 496 1040 124 LEU C C 179.625 0.05 1 497 1040 124 LEU CA C 50.517 0.05 1 498 1040 124 LEU CB C 40.341 0.05 1 499 1040 124 LEU N N 121.252 0.03 1 500 1041 125 ALA H H 8.376 0.02 1 501 1041 125 ALA C C 179.024 0.05 1 502 1041 125 ALA CA C 47.664 0.05 1 503 1041 125 ALA CB C 17.788 0.05 1 504 1041 125 ALA N N 124.178 0.03 1 505 1042 126 LEU H H 8.938 0.02 1 506 1042 126 LEU C C 177.635 0.05 1 507 1042 126 LEU CA C 50.818 0.05 1 508 1042 126 LEU CB C 42.137 0.05 1 509 1042 126 LEU N N 125.655 0.03 1 510 1043 127 GLU H H 8.917 0.02 1 511 1043 127 GLU C C 178.909 0.004 1 512 1043 127 GLU CA C 51.749 0.05 1 513 1043 127 GLU CB C 29.520 0.05 1 514 1043 127 GLU N N 120.733 0.03 1 515 1044 128 ARG H H 8.767 0.02 1 516 1044 128 ARG C C 178.560 0.005 1 517 1044 128 ARG CA C 54.242 0.05 1 518 1044 128 ARG CB C 24.386 0.012 1 519 1044 128 ARG N N 118.874 0.03 1 520 1045 129 THR H H 8.797 0.02 1 521 1045 129 THR C C 179.428 0.023 1 522 1045 129 THR CA C 61.422 0.05 1 523 1045 129 THR CB C 66.154 0.012 1 524 1045 129 THR N N 116.249 0.03 1 525 1046 130 GLU H H 9.438 0.02 1 526 1046 130 GLU C C 171.213 0.019 1 527 1046 130 GLU CA C 52.049 0.05 1 528 1046 130 GLU CB C 31.127 0.024 1 529 1046 130 GLU N N 128.171 0.03 1 530 1047 131 GLU H H 8.415 0.02 1 531 1047 131 GLU C C 180.727 0.005 1 532 1047 131 GLU CA C 51.479 0.05 1 533 1047 131 GLU CB C 31.848 0.024 1 534 1047 131 GLU N N 125.436 0.03 1 535 1048 132 TYR H H 9.357 0.02 1 536 1048 132 TYR C C 179.497 0.009 1 537 1048 132 TYR CA C 53.732 0.05 1 538 1048 132 TYR CB C 39.094 0.060 1 539 1048 132 TYR N N 125.436 0.03 1 540 1049 133 VAL H H 8.577 0.02 1 541 1049 133 VAL C C 177.283 0.05 1 542 1049 133 VAL CA C 58.898 0.05 1 543 1049 133 VAL CB C 30.358 0.05 1 544 1049 133 VAL N N 121.389 0.03 1 545 1050 134 ASN C C 178.923 0.05 1 546 1050 134 ASN CA C 51.539 0.05 1 547 1050 134 ASN CB C 34.476 0.05 1 548 1051 135 GLY H H 8.820 0.02 1 549 1051 135 GLY C C 180.893 0.05 1 550 1051 135 GLY CA C 42.677 0.05 1 551 1051 135 GLY N N 103.616 0.03 1 552 1052 136 LYS H H 7.735 0.02 1 553 1052 136 LYS C C 179.710 0.05 1 554 1052 136 LYS CA C 51.599 0.05 1 555 1052 136 LYS CB C 30.860 0.05 1 556 1052 136 LYS N N 122.319 0.03 1 557 1053 137 LYS C C 177.179 0.05 1 558 1053 137 LYS CA C 53.852 0.05 1 559 1053 137 LYS CB C 28.227 0.05 1 560 1054 138 THR H H 9.059 0.02 1 561 1054 138 THR C C 179.168 0.009 1 562 1054 138 THR CA C 59.701 0.05 1 563 1054 138 THR CB C 66.246 0.05 1 564 1054 138 THR N N 121.444 0.03 1 565 1055 139 ASN H H 7.420 0.02 1 566 1055 139 ASN C C 171.444 0.005 1 567 1055 139 ASN CA C 50.007 0.05 1 568 1055 139 ASN CB C 40.006 0.05 1 569 1055 139 ASN N N 119.202 0.03 1 570 1056 140 VAL H H 8.040 0.02 1 571 1056 140 VAL C C 180.096 0.014 1 572 1056 140 VAL CA C 58.748 0.05 1 573 1056 140 VAL CB C 30.669 0.05 1 574 1056 140 VAL N N 119.366 0.03 1 575 1057 141 TYR H H 8.565 0.02 1 576 1057 141 TYR C C 178.225 0.009 1 577 1057 141 TYR CA C 54.573 0.05 1 578 1057 141 TYR CB C 37.421 0.047 1 579 1057 141 TYR N N 124.288 0.03 1 580 1058 142 GLY H H 8.308 0.02 1 581 1058 142 GLY C C 180.775 0.033 1 582 1058 142 GLY CA C 44.299 0.05 1 583 1058 142 GLY N N 110.261 0.03 1 584 1059 143 ASP H H 8.097 0.02 1 585 1059 143 ASP C C 180.874 0.009 1 586 1059 143 ASP CA C 51.599 0.05 1 587 1059 143 ASP CB C 38.833 0.05 1 588 1059 143 ASP N N 126.475 0.03 1 589 1060 144 ALA H H 8.027 0.02 1 590 1060 144 ALA C C 179.772 0.010 1 591 1060 144 ALA CA C 48.565 0.05 1 592 1060 144 ALA CB C 18.482 0.05 1 593 1060 144 ALA N N 120.788 0.03 1 594 1061 145 PHE H H 8.701 0.02 1 595 1061 145 PHE C C 180.148 0.010 1 596 1061 145 PHE CA C 52.230 0.05 1 597 1061 145 PHE CB C 37.373 0.05 1 598 1061 145 PHE N N 121.116 0.03 1 599 1062 146 ILE H H 9.141 0.02 1 600 1062 146 ILE C C 178.659 0.019 1 601 1062 146 ILE CA C 55.174 0.05 1 602 1062 146 ILE CB C 38.163 0.05 1 603 1062 146 ILE N N 123.741 0.03 1 604 1063 147 ARG H H 8.537 0.02 1 605 1063 147 ARG C C 178.777 0.005 1 606 1063 147 ARG CA C 53.161 0.05 1 607 1063 147 ARG CB C 23.965 0.05 1 608 1063 147 ARG N N 126.639 0.03 1 609 1064 148 GLY H H 8.141 0.02 1 610 1064 148 GLY C C 180.407 0.014 1 611 1064 148 GLY CA C 44.059 0.05 1 612 1064 148 GLY N N 117.999 0.03 1 613 1065 149 ASN H H 8.460 0.02 1 614 1065 149 ASN C C 178.579 0.014 1 615 1065 149 ASN CA C 52.350 0.05 1 616 1065 149 ASN CB C 35.505 0.05 1 617 1065 149 ASN N N 115.483 0.03 1 618 1066 150 ASN H H 7.920 0.02 1 619 1066 150 ASN C C 180.031 0.005 1 620 1066 150 ASN CA C 49.406 0.05 1 621 1066 150 ASN CB C 36.942 0.05 1 622 1066 150 ASN N N 115.975 0.03 1 623 1067 151 VAL H H 6.835 0.02 1 624 1067 151 VAL C C 179.753 0.029 1 625 1067 151 VAL CA C 56.736 0.05 1 626 1067 151 VAL CB C 29.113 0.05 1 627 1067 151 VAL N N 112.311 0.03 1 628 1068 152 LEU H H 8.985 0.02 1 629 1068 152 LEU C C 178.305 0.005 1 630 1068 152 LEU CA C 54.753 0.05 1 631 1068 152 LEU CB C 40.102 0.05 1 632 1068 152 LEU N N 122.483 0.03 1 633 1069 153 TYR H H 7.174 0.02 1 634 1069 153 TYR C C 180.855 0.009 1 635 1069 153 TYR CA C 52.440 0.05 1 636 1069 153 TYR CB C 38.498 0.05 1 637 1069 153 TYR N N 108.866 0.03 1 638 1070 154 VAL H H 8.545 0.02 1 639 1070 154 VAL C C 180.077 0.005 1 640 1070 154 VAL CA C 58.688 0.05 1 641 1070 154 VAL CB C 31.115 0.012 1 642 1070 154 VAL N N 117.397 0.03 1 643 1071 155 SER H H 10.153 0.02 1 644 1071 155 SER C C 180.142 0.05 1 645 1071 155 SER CA C 53.191 0.05 1 646 1071 155 SER CB C 62.369 0.05 1 647 1071 155 SER N N 123.030 0.03 1 648 1072 156 ALA H H 8.374 0.02 1 649 1072 156 ALA C C 177.522 0.05 1 650 1072 156 ALA CA C 50.127 0.05 1 651 1072 156 ALA CB C 16.251 0.05 1 652 1072 156 ALA N N 129.046 0.03 1 653 1073 157 LEU H H 8.084 0.02 1 654 1073 157 LEU C C 177.702 0.005 1 655 1073 157 LEU CA C 51.659 0.05 1 656 1073 157 LEU CB C 39.502 0.036 1 657 1073 157 LEU N N 125.382 0.03 1 658 1074 158 ASP H H 8.365 0.02 1 659 1074 158 ASP C C 179.447 0.05 1 660 1074 158 ASP CA C 51.809 0.05 1 661 1074 158 ASP CB C 38.781 0.012 1 662 1074 158 ASP N N 122.428 0.03 1 663 1075 159 ASP H H 7.828 0.02 1 664 1075 159 ASP C C 173.777 0.05 1 665 1075 159 ASP CA C 53.221 0.05 1 666 1075 159 ASP CB C 39.370 0.05 1 667 1075 159 ASP N N 125.869 0.03 1 668 1224 187 SER C C 180.092 0.05 1 669 1224 187 SER CA C 55.864 0.05 1 670 1224 187 SER CB C 60.975 0.05 1 671 1225 188 ILE H H 7.977 0.02 1 672 1225 188 ILE C C 178.937 0.005 1 673 1225 188 ILE CA C 58.057 0.05 1 674 1225 188 ILE CB C 36.715 0.012 1 675 1225 188 ILE N N 121.772 0.03 1 676 1226 189 LEU H H 8.423 0.02 1 677 1226 189 LEU C C 178.786 0.005 1 678 1226 189 LEU CA C 52.500 0.05 1 679 1226 189 LEU CB C 38.132 0.036 1 680 1226 189 LEU N N 124.096 0.03 1 681 1227 190 ASP H H 7.715 0.02 1 682 1227 190 ASP C C 178.193 0.004 1 683 1227 190 ASP CA C 50.307 0.05 1 684 1227 190 ASP CB C 37.923 0.05 1 685 1227 190 ASP N N 121.007 0.03 1 686 1228 191 LEU H H 7.404 0.02 1 687 1228 191 LEU C C 177.222 0.05 1 688 1228 191 LEU CA C 52.861 0.05 1 689 1228 191 LEU CB C 36.942 0.05 1 690 1228 191 LEU N N 125.327 0.03 1 691 1229 192 SER H H 8.200 0.02 1 692 1229 192 SER C C 177.915 0.001 1 693 1229 192 SER CA C 59.319 0.05 1 694 1229 192 SER CB C 68.521 0.05 1 695 1229 192 SER N N 115.757 0.03 1 696 1230 193 ARG H H 7.312 0.02 1 697 1230 193 ARG C C 178.103 0.009 1 698 1230 193 ARG CA C 54.783 0.05 1 699 1230 193 ARG CB C 26.057 0.05 1 700 1230 193 ARG N N 121.171 0.03 1 701 1231 194 TYR H H 7.471 0.02 1 702 1231 194 TYR C C 180.233 0.019 1 703 1231 194 TYR CA C 53.071 0.05 1 704 1231 194 TYR CB C 35.002 0.05 1 705 1231 194 TYR N N 117.507 0.03 1 706 1232 195 GLN H H 7.206 0.02 1 707 1232 195 GLN C C 177.933 0.05 1 708 1232 195 GLN CA C 55.294 0.05 1 709 1232 195 GLN CB C 25.179 0.012 1 710 1232 195 GLN N N 121.007 0.03 1 711 1233 196 ASP H H 9.644 0.02 1 712 1233 196 ASP C C 180.026 0.05 1 713 1233 196 ASP CA C 54.603 0.05 1 714 1233 196 ASP CB C 36.319 0.05 1 715 1233 196 ASP N N 121.608 0.03 1 716 1234 197 GLN H H 8.265 0.02 1 717 1234 197 GLN C C 180.049 0.014 1 718 1234 197 GLN CA C 51.178 0.05 1 719 1234 197 GLN CB C 27.221 0.05 1 720 1234 197 GLN N N 118.108 0.03 1 721 1235 198 ARG H H 8.612 0.02 1 722 1235 198 ARG C C 178.749 0.015 1 723 1235 198 ARG CA C 53.642 0.05 1 724 1235 198 ARG CB C 26.838 0.108 1 725 1235 198 ARG N N 122.264 0.03 1 726 1236 199 ILE H H 9.180 0.02 1 727 1236 199 ILE C C 180.916 0.014 1 728 1236 199 ILE CA C 55.774 0.05 1 729 1236 199 ILE CB C 38.709 0.012 1 730 1236 199 ILE N N 121.061 0.03 1 731 1237 200 GLN H H 8.889 0.02 1 732 1237 200 GLN C C 180.945 0.005 1 733 1237 200 GLN CA C 50.878 0.05 1 734 1237 200 GLN CB C 28.892 0.024 1 735 1237 200 GLN N N 119.940 0.03 1 736 1238 201 ALA H H 8.754 0.02 1 737 1238 201 ALA C C 179.022 0.005 1 738 1238 201 ALA CA C 47.123 0.05 1 739 1238 201 ALA CB C 17.573 0.05 1 740 1238 201 ALA N N 126.202 0.03 1 741 1239 202 THR H H 8.418 0.02 1 742 1239 202 THR C C 180.954 0.005 1 743 1239 202 THR CA C 57.727 0.05 1 744 1239 202 THR CB C 68.305 0.024 1 745 1239 202 THR N N 115.419 0.03 1 746 1240 203 PHE H H 8.680 0.02 1 747 1240 203 PHE C C 176.199 0.05 1 748 1240 203 PHE CA C 54.182 0.05 1 749 1240 203 PHE CB C 39.875 0.048 1 750 1240 203 PHE N N 122.565 0.03 1 751 1241 204 THR H H 9.567 0.02 1 752 1241 204 THR C C 178.895 0.05 1 753 1241 204 THR CA C 60.611 0.05 1 754 1241 204 THR CB C 65.950 0.05 1 755 1241 204 THR N N 118.983 0.03 1 756 1242 205 GLY C C 179.055 0.05 1 757 1242 205 GLY CA C 42.423 0.05 1 758 1243 206 GLY H H 8.079 0.02 1 759 1243 206 GLY C C 179.858 0.007 1 760 1243 206 GLY CA C 43.008 0.05 1 761 1243 206 GLY N N 107.717 0.03 1 762 1244 207 ARG H H 8.284 0.02 1 763 1244 207 ARG C C 178.617 0.005 1 764 1244 207 ARG CA C 55.504 0.05 1 765 1244 207 ARG CB C 27.871 0.012 1 766 1244 207 ARG N N 121.541 0.03 1 767 1245 208 GLN H H 8.606 0.02 1 768 1245 208 GLN C C 180.068 0.005 1 769 1245 208 GLN CA C 52.560 0.05 1 770 1245 208 GLN CB C 30.010 0.012 1 771 1245 208 GLN N N 120.460 0.03 1 772 1246 209 ILE H H 8.864 0.02 1 773 1246 209 ILE C C 178.777 0.005 1 774 1246 209 ILE CA C 55.744 0.05 1 775 1246 209 ILE CB C 39.538 0.05 1 776 1246 209 ILE N N 115.374 0.03 1 777 1247 210 THR H H 8.889 0.02 1 778 1247 210 THR C C 180.129 0.019 1 779 1247 210 THR CA C 56.676 0.05 1 780 1247 210 THR CB C 69.639 0.012 1 781 1247 210 THR N N 110.452 0.03 1 782 1248 211 GLY H H 8.517 0.02 1 783 1248 211 GLY C C 174.300 0.005 1 784 1248 211 GLY CA C 43.308 0.05 1 785 1248 211 GLY N N 104.710 0.03 1 786 1249 212 ILE H H 9.467 0.02 1 787 1249 212 ILE C C 177.650 0.05 1 788 1249 212 ILE CA C 56.766 0.05 1 789 1249 212 ILE CB C 35.561 0.012 1 790 1249 212 ILE N N 121.882 0.03 1 791 1250 213 LEU H H 8.319 0.02 1 792 1250 213 LEU C C 178.814 0.014 1 793 1250 213 LEU CA C 53.972 0.05 1 794 1250 213 LEU CB C 37.748 0.036 1 795 1250 213 LEU N N 129.428 0.03 1 796 1251 214 LYS H H 9.024 0.02 1 797 1251 214 LYS C C 177.453 0.05 1 798 1251 214 LYS CA C 50.908 0.05 1 799 1251 214 LYS CB C 29.385 0.060 1 800 1251 214 LYS N N 126.530 0.03 1 801 1252 215 GLY H H 7.662 0.02 1 802 1252 215 GLY C C 173.169 0.014 1 803 1252 215 GLY CA C 42.857 0.05 1 804 1252 215 GLY N N 105.967 0.03 1 805 1253 216 PHE H H 7.388 0.02 1 806 1253 216 PHE C C 172.094 0.005 1 807 1253 216 PHE CA C 53.491 0.05 1 808 1253 216 PHE CB C 37.772 0.012 1 809 1253 216 PHE N N 114.936 0.03 1 810 1254 217 ASP H H 8.073 0.02 1 811 1254 217 ASP C C 176.614 0.05 1 812 1254 217 ASP CA C 49.178 0.05 1 813 1254 217 ASP CB C 40.355 0.05 1 814 1254 217 ASP N N 118.272 0.03 1 815 1255 218 GLN C C 178.876 0.05 1 816 1255 218 GLN CA C 54.423 0.05 1 817 1255 218 GLN CB C 24.855 0.05 1 818 1256 219 LEU H H 7.844 0.02 1 819 1256 219 LEU C C 178.654 0.005 1 820 1256 219 LEU CA C 51.268 0.05 1 821 1256 219 LEU CB C 36.895 0.05 1 822 1256 219 LEU N N 121.116 0.03 1 823 1257 220 MET H H 7.958 0.02 1 824 1257 220 MET C C 179.356 0.05 1 825 1257 220 MET CA C 54.573 0.05 1 826 1257 220 MET CB C 25.552 0.048 1 827 1257 220 MET N N 112.147 0.03 1 828 1258 221 ASN H H 7.919 0.02 1 829 1258 221 ASN C C 178.564 0.010 1 830 1258 221 ASN CA C 50.728 0.05 1 831 1258 221 ASN CB C 34.684 0.048 1 832 1258 221 ASN N N 111.272 0.03 1 833 1259 222 LEU H H 8.706 0.02 1 834 1259 222 LEU C C 177.641 0.05 1 835 1259 222 LEU CA C 49.616 0.05 1 836 1259 222 LEU CB C 42.506 0.012 1 837 1259 222 LEU N N 118.108 0.03 1 838 1260 223 VAL H H 8.331 0.02 1 839 1260 223 VAL C C 179.587 0.014 1 840 1260 223 VAL CA C 59.409 0.05 1 841 1260 223 VAL CB C 29.685 0.05 1 842 1260 223 VAL N N 121.040 0.03 1 843 1261 224 LEU H H 8.833 0.02 1 844 1261 224 LEU C C 180.926 0.004 1 845 1261 224 LEU CA C 49.586 0.05 1 846 1261 224 LEU CB C 43.299 0.012 1 847 1261 224 LEU N N 127.678 0.03 1 848 1262 225 ASP H H 9.065 0.02 1 849 1262 225 ASP C C 178.546 0.009 1 850 1262 225 ASP CA C 47.904 0.05 1 851 1262 225 ASP CB C 41.874 0.05 1 852 1262 225 ASP N N 119.475 0.03 1 853 1263 226 ASP H H 8.707 0.02 1 854 1263 226 ASP C C 178.721 0.005 1 855 1263 226 ASP CA C 52.079 0.05 1 856 1263 226 ASP CB C 37.109 0.05 1 857 1263 226 ASP N N 122.254 0.03 1 858 1264 227 VAL H H 8.948 0.02 1 859 1264 227 VAL C C 176.415 0.009 1 860 1264 227 VAL CA C 60.370 0.05 1 861 1264 227 VAL CB C 27.823 0.036 1 862 1264 227 VAL N N 118.491 0.03 1 863 1265 228 GLU H H 8.769 0.02 1 864 1265 228 GLU C C 179.880 0.005 1 865 1265 228 GLU CA C 51.569 0.05 1 866 1265 228 GLU CB C 29.493 0.024 1 867 1265 228 GLU N N 128.218 0.03 1 868 1266 229 GLU H H 9.184 0.02 1 869 1266 229 GLU C C 178.744 0.05 1 870 1266 229 GLU CA C 51.298 0.05 1 871 1266 229 GLU CB C 28.897 0.05 1 872 1266 229 GLU N N 125.217 0.03 1 873 1267 230 GLN H H 8.194 0.02 1 874 1267 230 GLN C C 179.997 0.019 1 875 1267 230 GLN CA C 52.470 0.05 1 876 1267 230 GLN CB C 25.186 0.05 1 877 1267 230 GLN N N 126.858 0.03 1 878 1268 231 LEU H H 7.864 0.02 1 879 1268 231 LEU C C 177.231 0.005 1 880 1268 231 LEU CA C 52.826 0.05 1 881 1268 231 LEU CB C 38.234 0.05 1 882 1268 231 LEU N N 125.655 0.03 1 883 1269 232 ARG H H 8.509 0.02 1 884 1269 232 ARG C C 178.414 0.019 1 885 1269 232 ARG CA C 51.599 0.05 1 886 1269 232 ARG CB C 29.496 0.05 1 887 1269 232 ARG N N 120.842 0.03 1 888 1270 233 ASN H H 8.871 0.02 1 889 1270 233 ASN CA C 47.934 0.05 1 890 1270 233 ASN CB C 35.840 0.05 1 891 1270 233 ASN N N 124.889 0.03 1 892 1271 234 PRO C C 176.793 0.05 1 893 1271 234 PRO CA C 61.359 0.05 1 894 1271 234 PRO CB C 28.940 0.05 1 895 1272 235 GLU H H 8.097 0.02 1 896 1272 235 GLU C C 177.344 0.005 1 897 1272 235 GLU CA C 55.564 0.05 1 898 1272 235 GLU CB C 26.694 0.05 1 899 1272 235 GLU N N 116.522 0.03 1 900 1273 236 ASP H H 7.116 0.02 1 901 1273 236 ASP C C 177.118 0.005 1 902 1273 236 ASP CA C 50.247 0.05 1 903 1273 236 ASP CB C 39.001 0.05 1 904 1273 236 ASP N N 114.171 0.03 1 905 1274 237 GLY H H 8.432 0.02 1 906 1274 237 GLY C C 180.210 0.005 1 907 1274 237 GLY CA C 43.308 0.05 1 908 1274 237 GLY N N 110.507 0.03 1 909 1275 238 LYS H H 8.285 0.02 1 910 1275 238 LYS C C 177.170 0.019 1 911 1275 238 LYS CA C 53.612 0.05 1 912 1275 238 LYS CB C 29.529 0.012 1 913 1275 238 LYS N N 121.937 0.03 1 914 1276 239 LEU H H 8.463 0.02 1 915 1276 239 LEU C C 175.587 0.001 1 916 1276 239 LEU CA C 52.770 0.05 1 917 1276 239 LEU CB C 38.058 0.010 1 918 1276 239 LEU N N 123.194 0.03 1 919 1277 240 THR H H 8.086 0.02 1 920 1277 240 THR C C 178.424 0.05 1 921 1277 240 THR CA C 59.049 0.05 1 922 1277 240 THR CB C 67.372 0.05 1 923 1277 240 THR N N 112.569 0.03 1 924 1278 241 GLY C C 171.279 0.05 1 925 1278 241 GLY CA C 41.926 0.05 1 926 1279 242 ALA H H 7.844 0.02 1 927 1279 242 ALA C C 177.429 0.014 1 928 1279 242 ALA CA C 48.685 0.05 1 929 1279 242 ALA CB C 17.237 0.024 1 930 1279 242 ALA N N 124.233 0.03 1 931 1280 243 ILE H H 8.261 0.02 1 932 1280 243 ILE C C 177.884 0.007 1 933 1280 243 ILE CA C 55.714 0.05 1 934 1280 243 ILE CB C 39.815 0.036 1 935 1280 243 ILE N N 116.850 0.03 1 936 1281 244 ARG H H 8.570 0.02 1 937 1281 244 ARG C C 180.120 0.010 1 938 1281 244 ARG CA C 51.148 0.05 1 939 1281 244 ARG CB C 29.946 0.05 1 940 1281 244 ARG N N 117.971 0.03 1 941 1282 245 LYS H H 8.840 0.02 1 942 1282 245 LYS C C 178.164 0.05 1 943 1282 245 LYS CA C 53.461 0.05 1 944 1282 245 LYS CB C 28.841 0.003 1 945 1282 245 LYS N N 125.682 0.03 1 946 1283 246 LEU H H 8.300 0.02 1 947 1283 246 LEU C C 178.214 0.007 1 948 1283 246 LEU CA C 51.629 0.05 1 949 1283 246 LEU CB C 40.716 0.072 1 950 1283 246 LEU N N 124.048 0.03 1 951 1284 247 GLY H H 7.572 0.02 1 952 1284 247 GLY C C 172.509 0.004 1 953 1284 247 GLY CA C 43.909 0.05 1 954 1284 247 GLY N N 107.171 0.03 1 955 1285 248 LEU H H 7.609 0.02 1 956 1285 248 LEU C C 178.315 0.024 1 957 1285 248 LEU CA C 52.170 0.05 1 958 1285 248 LEU CB C 38.901 0.012 1 959 1285 248 LEU N N 129.592 0.03 1 960 1286 249 VAL H H 8.993 0.02 1 961 1286 249 VAL C C 180.313 0.005 1 962 1286 249 VAL CA C 56.135 0.05 1 963 1286 249 VAL CB C 33.026 0.024 1 964 1286 249 VAL N N 121.663 0.03 1 965 1287 250 VAL H H 8.773 0.02 1 966 1287 250 VAL C C 179.107 0.004 1 967 1287 250 VAL CA C 58.508 0.05 1 968 1287 250 VAL CB C 29.253 0.05 1 969 1287 250 VAL N N 121.608 0.03 1 970 1288 251 VAL H H 9.334 0.02 1 971 1288 251 VAL C C 178.871 0.005 1 972 1288 251 VAL CA C 57.847 0.05 1 973 1288 251 VAL CB C 30.706 0.012 1 974 1288 251 VAL N N 129.757 0.03 1 975 1289 252 ARG H H 7.859 0.02 1 976 1289 252 ARG C C 178.042 0.005 1 977 1289 252 ARG CA C 50.067 0.05 1 978 1289 252 ARG CB C 25.852 0.012 1 979 1289 252 ARG N N 126.107 0.03 1 980 1290 253 GLY H H 8.562 0.02 1 981 1290 253 GLY C C 177.471 0.05 1 982 1290 253 GLY CA C 44.630 0.05 1 983 1290 253 GLY N N 110.780 0.03 1 984 1291 254 THR C C 178.499 0.05 1 985 1291 254 THR CA C 60.726 0.05 1 986 1291 254 THR CB C 65.637 0.05 1 987 1292 255 THR H H 7.207 0.02 1 988 1292 255 THR C C 179.969 0.009 1 989 1292 255 THR CA C 57.757 0.05 1 990 1292 255 THR CB C 66.370 0.012 1 991 1292 255 THR N N 107.991 0.03 1 992 1293 256 LEU H H 7.068 0.02 1 993 1293 256 LEU C C 178.796 0.005 1 994 1293 256 LEU CA C 53.401 0.05 1 995 1293 256 LEU CB C 41.076 0.048 1 996 1293 256 LEU N N 125.600 0.03 1 997 1294 257 VAL H H 8.872 0.02 1 998 1294 257 VAL C C 172.019 0.005 1 999 1294 257 VAL CA C 61.151 0.05 1 1000 1294 257 VAL CB C 30.406 0.05 1 1001 1294 257 VAL N N 123.358 0.03 1 1002 1295 258 LEU H H 7.025 0.02 1 1003 1295 258 LEU C C 179.545 0.019 1 1004 1295 258 LEU CA C 51.118 0.05 1 1005 1295 258 LEU CB C 42.446 0.024 1 1006 1295 258 LEU N N 121.280 0.03 1 1007 1296 259 ILE H H 8.757 0.02 1 1008 1296 259 ILE C C 180.436 0.005 1 1009 1296 259 ILE CA C 57.366 0.05 1 1010 1296 259 ILE CB C 38.457 0.024 1 1011 1296 259 ILE N N 122.702 0.03 1 1012 1297 260 ALA H H 8.622 0.02 1 1013 1297 260 ALA C C 180.637 0.05 1 1014 1297 260 ALA CA C 46.253 0.05 1 1015 1297 260 ALA CB C 17.958 0.05 1 1016 1297 260 ALA N N 126.858 0.03 1 stop_ save_