data_17782 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; lsm57 ; _BMRB_accession_number 17782 _BMRB_flat_file_name bmr17782.str _Entry_type original _Submission_date 2011-07-15 _Accession_date 2011-07-15 _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 N. Ancilla . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 133 "13C chemical shifts" 274 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-15 update BMRB 'update entry citation' 2011-10-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17881 'lsm567 hexamer' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _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 lsm57 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label lsm57 $lsm57 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_lsm57 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common lsm57 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; MSMTILPLELIDKCIGSNLW VIMKSEREFAGTLVGFDDYV NIVLKDVTEYDTVTGVTEKH SEMLLNGNGMCMLIPGGKPE MSSLQKRPGPGNSSQPTERP RKESILDLSRYQDQRIQATF TGGRQITGILKGFDQLMNLV LDDVEEQLRNPEDGKLTGAI RKLGLVVVRGTTLVLIAPMD GSEEIPNPFVQAE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 801 MET 2 802 SER 3 803 MET 4 804 THR 5 805 ILE 6 806 LEU 7 807 PRO 8 808 LEU 9 809 GLU 10 810 LEU 11 811 ILE 12 812 ASP 13 813 LYS 14 814 CYS 15 815 ILE 16 816 GLY 17 817 SER 18 818 ASN 19 819 LEU 20 820 TRP 21 821 VAL 22 822 ILE 23 823 MET 24 824 LYS 25 825 SER 26 826 GLU 27 827 ARG 28 828 GLU 29 829 PHE 30 830 ALA 31 831 GLY 32 832 THR 33 833 LEU 34 834 VAL 35 835 GLY 36 836 PHE 37 837 ASP 38 838 ASP 39 839 TYR 40 840 VAL 41 841 ASN 42 842 ILE 43 843 VAL 44 844 LEU 45 845 LYS 46 846 ASP 47 847 VAL 48 848 THR 49 849 GLU 50 850 TYR 51 851 ASP 52 852 THR 53 853 VAL 54 854 THR 55 855 GLY 56 856 VAL 57 857 THR 58 858 GLU 59 859 LYS 60 860 HIS 61 861 SER 62 862 GLU 63 863 MET 64 864 LEU 65 865 LEU 66 866 ASN 67 867 GLY 68 868 ASN 69 869 GLY 70 870 MET 71 871 CYS 72 872 MET 73 873 LEU 74 874 ILE 75 875 PRO 76 876 GLY 77 877 GLY 78 878 LYS 79 879 PRO 80 880 GLU 81 1201 MET 82 1202 SER 83 1203 SER 84 1204 LEU 85 1205 GLN 86 1206 LYS 87 1207 ARG 88 1208 PRO 89 1209 GLY 90 1210 PRO 91 1211 GLY 92 1212 ASN 93 1213 SER 94 1214 SER 95 1215 GLN 96 1216 PRO 97 1217 THR 98 1218 GLU 99 1219 ARG 100 1220 PRO 101 1221 ARG 102 1222 LYS 103 1223 GLU 104 1224 SER 105 1225 ILE 106 1226 LEU 107 1227 ASP 108 1228 LEU 109 1229 SER 110 1230 ARG 111 1231 TYR 112 1232 GLN 113 1233 ASP 114 1234 GLN 115 1235 ARG 116 1236 ILE 117 1237 GLN 118 1238 ALA 119 1239 THR 120 1240 PHE 121 1241 THR 122 1242 GLY 123 1243 GLY 124 1244 ARG 125 1245 GLN 126 1246 ILE 127 1247 THR 128 1248 GLY 129 1249 ILE 130 1250 LEU 131 1251 LYS 132 1252 GLY 133 1253 PHE 134 1254 ASP 135 1255 GLN 136 1256 LEU 137 1257 MET 138 1258 ASN 139 1259 LEU 140 1260 VAL 141 1261 LEU 142 1262 ASP 143 1263 ASP 144 1264 VAL 145 1265 GLU 146 1266 GLU 147 1267 GLN 148 1268 LEU 149 1269 ARG 150 1270 ASN 151 1271 PRO 152 1272 GLU 153 1273 ASP 154 1274 GLY 155 1275 LYS 156 1276 LEU 157 1277 THR 158 1278 GLY 159 1279 ALA 160 1280 ILE 161 1281 ARG 162 1282 LYS 163 1283 LEU 164 1284 GLY 165 1285 LEU 166 1286 VAL 167 1287 VAL 168 1288 VAL 169 1289 ARG 170 1290 GLY 171 1291 THR 172 1292 THR 173 1293 LEU 174 1294 VAL 175 1295 LEU 176 1296 ILE 177 1297 ALA 178 1298 PRO 179 1299 MET 180 1300 ASP 181 1301 GLY 182 1302 SER 183 1303 GLU 184 1304 GLU 185 1305 ILE 186 1306 PRO 187 1307 ASN 188 1308 PRO 189 1309 PHE 190 1310 VAL 191 1311 GLN 192 1312 ALA 193 1313 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3SWN "Structure Of The Lsm657 Complex: An Assembly Intermediate Of The Lsm1 7 And Lsm2 8 Rings" 58.55 117 100.00 100.00 8.87e-73 PDB 4EMK "Crystal Structure Of Splsm567" 58.03 113 98.21 98.21 7.59e-70 EMBL CAA20851 "U6 snRNP-associated protein Lsm7 (predicted) [Schizosaccharomyces pombe]" 58.55 113 100.00 100.00 1.04e-72 REF NP_588340 "U6 snRNP-associated protein Lsm7 (predicted) [Schizosaccharomyces pombe 972h-]" 58.55 113 100.00 100.00 1.04e-72 SP O74499 "RecName: Full=U6 snRNA-associated Sm-like protein LSm7" 58.55 113 100.00 100.00 1.04e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lsm57 'fission yeast' 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 $lsm57 '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 $lsm57 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'NaPO4 pH 7.5' 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' NaN3 0.3 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.15 . M pH 7.5 . pH pressure 1 . atm temperature 318 . 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 0 na indirect . . . 0 water H 1 protons ppm 0 na direct . . . 0 water N 15 protons ppm 0 na indirect . . . 0 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 HNCACB' 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 lsm57 _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 4 THR CA C 59.531 0.05 1 2 804 4 THR CB C 66.759 0.05 1 3 805 5 ILE H H 8.021 0.02 1 4 805 5 ILE CA C 57.264 0.030 1 5 805 5 ILE CB C 36.110 0.006 1 6 805 5 ILE N N 125.316 0.03 1 7 806 6 LEU H H 8.362 0.02 1 8 806 6 LEU CA C 48.894 0.05 1 9 806 6 LEU CB C 37.595 0.05 1 10 806 6 LEU N N 126.956 0.03 1 11 807 7 PRO CA C 63.003 0.05 1 12 807 7 PRO CB C 29.338 0.05 1 13 808 8 LEU H H 9.588 0.02 1 14 808 8 LEU CA C 54.526 0.132 1 15 808 8 LEU CB C 36.282 0.05 1 16 808 8 LEU N N 114.489 0.03 1 17 809 9 GLU H H 7.090 0.02 1 18 809 9 GLU CA C 55.951 0.133 1 19 809 9 GLU CB C 26.040 0.030 1 20 809 9 GLU N N 119.629 0.03 1 21 810 10 LEU H H 7.480 0.02 1 22 810 10 LEU CA C 54.689 0.118 1 23 810 10 LEU CB C 37.832 0.184 1 24 810 10 LEU N N 120.395 0.03 1 25 811 11 ILE H H 7.342 0.02 1 26 811 11 ILE CA C 60.587 0.019 1 27 811 11 ILE CB C 31.918 0.030 1 28 811 11 ILE N N 117.004 0.03 1 29 812 12 ASP H H 7.742 0.02 1 30 812 12 ASP CA C 55.046 0.119 1 31 812 12 ASP CB C 39.495 0.125 1 32 812 12 ASP N N 120.504 0.03 1 33 813 13 LYS H H 7.498 0.02 1 34 813 13 LYS CA C 55.238 0.164 1 35 813 13 LYS CB C 28.771 0.149 1 36 813 13 LYS N N 116.239 0.03 1 37 814 14 CYS H H 7.736 0.02 1 38 814 14 CYS CA C 56.114 0.059 1 39 814 14 CYS CB C 24.941 0.177 1 40 814 14 CYS N N 116.895 0.03 1 41 815 15 ILE H H 7.450 0.02 1 42 815 15 ILE CA C 61.773 0.136 1 43 815 15 ILE CB C 33.136 0.119 1 44 815 15 ILE N N 123.019 0.03 1 45 816 16 GLY H H 9.553 0.02 1 46 816 16 GLY CA C 42.199 0.215 1 47 816 16 GLY N N 117.879 0.03 1 48 817 17 SER H H 8.784 0.02 1 49 817 17 SER CA C 54.050 0.05 1 50 817 17 SER CB C 61.846 0.05 1 51 817 17 SER N N 118.098 0.03 1 52 818 18 ASN H H 8.328 0.02 1 53 818 18 ASN CA C 51.224 0.05 1 54 818 18 ASN CB C 36.589 0.05 1 55 818 18 ASN N N 119.551 0.03 1 56 819 19 LEU H H 9.204 0.02 1 57 819 19 LEU CA C 51.535 0.091 1 58 819 19 LEU CB C 43.825 0.014 1 59 819 19 LEU N N 123.457 0.03 1 60 820 20 TRP H H 8.214 0.02 1 61 820 20 TRP CA C 50.228 0.033 1 62 820 20 TRP CB C 28.850 0.132 1 63 820 20 TRP N N 128.488 0.03 1 64 821 21 VAL H H 10.144 0.02 1 65 821 21 VAL CA C 58.143 0.05 1 66 821 21 VAL CB C 31.639 0.077 1 67 821 21 VAL N N 127.722 0.03 1 68 822 22 ILE H H 8.722 0.02 1 69 822 22 ILE CA C 57.833 0.040 1 70 822 22 ILE CB C 36.211 0.05 1 71 822 22 ILE N N 126.300 0.03 1 72 823 23 MET H H 7.883 0.02 1 73 823 23 MET CA C 50.993 0.030 1 74 823 23 MET CB C 28.130 0.05 1 75 823 23 MET N N 125.457 0.03 1 76 824 24 LYS H H 8.307 0.02 1 77 824 24 LYS CA C 56.028 0.035 1 78 824 24 LYS CB C 29.169 0.026 1 79 824 24 LYS N N 117.223 0.03 1 80 825 25 SER H H 7.271 0.02 1 81 825 25 SER CA C 53.868 0.05 1 82 825 25 SER CB C 60.742 0.05 1 83 825 25 SER N N 114.082 0.03 1 84 826 26 GLU CA C 53.455 0.05 1 85 826 26 GLU CB C 27.079 0.05 1 86 827 27 ARG H H 8.224 0.02 1 87 827 27 ARG CA C 51.826 0.148 1 88 827 27 ARG CB C 30.035 0.020 1 89 827 27 ARG N N 124.363 0.03 1 90 828 28 GLU H H 8.433 0.02 1 91 828 28 GLU CA C 50.292 0.024 1 92 828 28 GLU CB C 31.111 0.070 1 93 828 28 GLU N N 119.629 0.03 1 94 829 29 PHE H H 9.364 0.02 1 95 829 29 PHE CA C 53.544 0.030 1 96 829 29 PHE CB C 41.480 0.05 1 97 829 29 PHE N N 116.895 0.03 1 98 830 30 ALA H H 9.419 0.02 1 99 830 30 ALA CA C 48.373 0.038 1 100 830 30 ALA CB C 19.550 0.041 1 101 830 30 ALA N N 123.676 0.03 1 102 831 31 GLY H H 8.569 0.02 1 103 831 31 GLY CA C 43.363 0.026 1 104 831 31 GLY N N 108.365 0.03 1 105 832 32 THR H H 9.152 0.02 1 106 832 32 THR CA C 59.384 0.029 1 107 832 32 THR CB C 66.414 0.130 1 108 832 32 THR N N 119.520 0.03 1 109 833 33 LEU H H 8.846 0.02 1 110 833 33 LEU CA C 53.066 0.05 1 111 833 33 LEU CB C 37.518 0.05 1 112 833 33 LEU N N 129.144 0.03 1 113 835 35 GLY CA C 42.551 0.05 1 114 836 36 PHE H H 8.165 0.02 1 115 836 36 PHE CA C 53.183 0.089 1 116 836 36 PHE CB C 38.866 0.029 1 117 836 36 PHE N N 116.488 0.03 1 118 837 37 ASP H H 7.999 0.02 1 119 837 37 ASP CA C 48.864 0.030 1 120 837 37 ASP CB C 40.228 0.030 1 121 837 37 ASP N N 120.941 0.03 1 122 838 38 ASP H H 7.854 0.02 1 123 838 38 ASP CA C 53.449 0.05 1 124 838 38 ASP CB C 37.416 0.05 1 125 838 38 ASP N N 115.364 0.03 1 126 839 39 TYR CA C 54.123 0.05 1 127 839 39 TYR CB C 34.374 0.05 1 128 840 40 VAL H H 8.448 0.02 1 129 840 40 VAL CA C 60.972 0.114 1 130 840 40 VAL CB C 26.549 0.064 1 131 840 40 VAL N N 117.801 0.03 1 132 841 41 ASN H H 8.321 0.02 1 133 841 41 ASN CA C 50.854 0.067 1 134 841 41 ASN CB C 34.484 0.032 1 135 841 41 ASN N N 116.488 0.03 1 136 842 42 ILE H H 8.260 0.02 1 137 842 42 ILE CA C 56.400 0.007 1 138 842 42 ILE CB C 37.713 0.05 1 139 842 42 ILE N N 120.395 0.03 1 140 843 43 VAL H H 8.275 0.02 1 141 843 43 VAL CA C 58.543 0.006 1 142 843 43 VAL CB C 29.973 0.050 1 143 843 43 VAL N N 124.363 0.03 1 144 844 44 LEU H H 8.662 0.02 1 145 844 44 LEU CA C 49.257 0.029 1 146 844 44 LEU CB C 44.396 0.097 1 147 844 44 LEU N N 126.191 0.03 1 148 845 45 LYS H H 9.197 0.02 1 149 845 45 LYS CA C 51.364 0.059 1 150 845 45 LYS CB C 33.165 0.030 1 151 845 45 LYS N N 120.067 0.03 1 152 846 46 ASP H H 8.701 0.02 1 153 846 46 ASP CA C 53.621 0.059 1 154 846 46 ASP CB C 35.511 0.119 1 155 846 46 ASP N N 123.051 0.03 1 156 847 47 VAL H H 8.402 0.02 1 157 847 47 VAL CA C 58.179 0.163 1 158 847 47 VAL CB C 32.366 0.122 1 159 847 47 VAL N N 120.863 0.03 1 160 848 48 THR H H 9.551 0.02 1 161 848 48 THR CA C 59.736 0.060 1 162 848 48 THR CB C 66.792 0.168 1 163 848 48 THR N N 124.332 0.03 1 164 849 49 GLU H H 9.476 0.02 1 165 849 49 GLU CA C 50.949 0.059 1 166 849 49 GLU CB C 29.396 0.121 1 167 849 49 GLU N N 130.128 0.03 1 168 850 50 TYR H H 9.163 0.02 1 169 850 50 TYR CA C 53.799 0.059 1 170 850 50 TYR CB C 36.466 0.064 1 171 850 50 TYR N N 124.769 0.03 1 172 851 51 ASP H H 8.077 0.02 1 173 851 51 ASP CA C 50.207 0.030 1 174 851 51 ASP CB C 38.658 0.05 1 175 851 51 ASP N N 123.457 0.03 1 176 852 52 THR H H 7.833 0.02 1 177 852 52 THR CA C 60.954 0.030 1 178 852 52 THR CB C 64.458 0.030 1 179 852 52 THR N N 116.676 0.03 1 180 853 53 VAL H H 8.705 0.02 1 181 853 53 VAL CA C 62.379 0.089 1 182 853 53 VAL CB C 28.802 0.061 1 183 853 53 VAL N N 123.051 0.03 1 184 854 54 THR H H 7.981 0.02 1 185 854 54 THR CA C 59.470 0.089 1 186 854 54 THR CB C 67.178 0.139 1 187 854 54 THR N N 109.239 0.03 1 188 855 55 GLY H H 8.180 0.02 1 189 855 55 GLY CA C 43.000 0.127 1 190 855 55 GLY N N 111.427 0.03 1 191 856 56 VAL H H 7.553 0.02 1 192 856 56 VAL CA C 60.332 0.05 1 193 856 56 VAL CB C 29.575 0.061 1 194 856 56 VAL N N 121.160 0.03 1 195 857 57 THR H H 8.035 0.02 1 196 857 57 THR CA C 56.082 0.05 1 197 857 57 THR CB C 68.726 0.05 1 198 857 57 THR N N 117.223 0.03 1 199 858 58 GLU H H 8.459 0.02 1 200 858 58 GLU CA C 51.752 0.019 1 201 858 58 GLU CB C 30.690 0.015 1 202 858 58 GLU N N 121.598 0.03 1 203 859 59 LYS H H 8.410 0.02 1 204 859 59 LYS CA C 51.415 0.05 1 205 859 59 LYS CB C 30.898 0.074 1 206 859 59 LYS N N 122.582 0.03 1 207 860 60 HIS H H 8.802 0.02 1 208 860 60 HIS CA C 51.697 0.05 1 209 860 60 HIS CB C 32.012 0.05 1 210 860 60 HIS N N 119.410 0.03 1 211 861 61 SER CA C 57.153 0.05 1 212 861 61 SER CB C 60.074 0.05 1 213 862 62 GLU H H 7.748 0.02 1 214 862 62 GLU CA C 52.916 0.05 1 215 862 62 GLU CB C 30.453 0.134 1 216 862 62 GLU N N 119.082 0.03 1 217 863 63 MET H H 8.825 0.02 1 218 863 63 MET CA C 51.999 0.030 1 219 863 63 MET CB C 33.328 0.052 1 220 863 63 MET N N 121.488 0.03 1 221 864 64 LEU H H 8.107 0.02 1 222 864 64 LEU CA C 51.171 0.030 1 223 864 64 LEU CB C 39.080 0.065 1 224 864 64 LEU N N 128.597 0.03 1 225 865 65 LEU H H 9.149 0.02 1 226 865 65 LEU CA C 49.999 0.018 1 227 865 65 LEU CB C 40.637 0.024 1 228 865 65 LEU N N 127.066 0.03 1 229 866 66 ASN H H 7.573 0.02 1 230 866 66 ASN CA C 50.957 0.05 1 231 866 66 ASN CB C 37.409 0.05 1 232 866 66 ASN N N 121.301 0.03 1 233 869 69 GLY H H 7.363 0.02 1 234 869 69 GLY CA C 42.227 0.068 1 235 869 69 GLY N N 104.865 0.03 1 236 870 70 MET H H 7.243 0.02 1 237 870 70 MET CA C 52.938 0.05 1 238 870 70 MET CB C 31.858 0.036 1 239 870 70 MET N N 119.848 0.03 1 240 871 71 CYS H H 8.600 0.02 1 241 871 71 CYS CA C 57.178 0.154 1 242 871 71 CYS CB C 25.306 0.043 1 243 871 71 CYS N N 118.645 0.03 1 244 872 72 MET H H 7.350 0.02 1 245 872 72 MET CA C 50.871 0.05 1 246 872 72 MET CB C 37.641 0.077 1 247 872 72 MET N N 113.942 0.03 1 248 873 73 LEU H H 9.250 0.02 1 249 873 73 LEU CA C 51.852 0.055 1 250 873 73 LEU CB C 40.509 0.05 1 251 873 73 LEU N N 122.035 0.03 1 252 874 74 ILE H H 9.738 0.02 1 253 874 74 ILE CA C 56.815 0.05 1 254 874 74 ILE CB C 35.765 0.05 1 255 874 74 ILE N N 124.441 0.03 1 256 875 75 PRO CA C 60.797 0.05 1 257 875 75 PRO CB C 29.398 0.05 1 258 876 76 GLY H H 8.627 0.02 1 259 876 76 GLY CA C 42.572 0.021 1 260 876 76 GLY N N 113.177 0.03 1 261 877 77 GLY H H 7.430 0.02 1 262 877 77 GLY CA C 41.788 0.091 1 263 877 77 GLY N N 105.084 0.03 1 264 878 78 LYS H H 7.991 0.02 1 265 878 78 LYS CA C 50.353 0.05 1 266 878 78 LYS CB C 30.296 0.05 1 267 878 78 LYS N N 121.926 0.03 1 268 1229 109 SER CA C 59.423 0.05 1 269 1229 109 SER CB C 59.897 0.05 1 270 1230 110 ARG H H 7.842 0.02 1 271 1230 110 ARG CA C 54.645 0.013 1 272 1230 110 ARG CB C 25.882 0.05 1 273 1230 110 ARG N N 120.832 0.03 1 274 1231 111 TYR H H 7.673 0.02 1 275 1231 111 TYR CA C 54.156 0.05 1 276 1231 111 TYR CB C 35.253 0.024 1 277 1231 111 TYR N N 117.332 0.03 1 278 1232 112 GLN H H 7.324 0.02 1 279 1232 112 GLN CA C 55.181 0.016 1 280 1232 112 GLN CB C 25.218 0.138 1 281 1232 112 GLN N N 121.051 0.03 1 282 1233 113 ASP H H 9.766 0.02 1 283 1233 113 ASP CA C 54.482 0.149 1 284 1233 113 ASP CB C 36.347 0.243 1 285 1233 113 ASP N N 121.270 0.03 1 286 1234 114 GLN H H 8.416 0.02 1 287 1234 114 GLN CA C 51.068 0.059 1 288 1234 114 GLN CB C 27.466 0.090 1 289 1234 114 GLN N N 117.879 0.03 1 290 1235 115 ARG H H 8.721 0.02 1 291 1235 115 ARG CA C 53.604 0.222 1 292 1235 115 ARG CB C 26.900 0.059 1 293 1235 115 ARG N N 122.473 0.03 1 294 1236 116 ILE H H 9.235 0.02 1 295 1236 116 ILE CA C 55.847 0.029 1 296 1236 116 ILE CB C 39.258 0.066 1 297 1236 116 ILE N N 120.613 0.03 1 298 1237 117 GLN H H 8.773 0.02 1 299 1237 117 GLN CA C 50.860 0.089 1 300 1237 117 GLN CB C 28.862 0.061 1 301 1237 117 GLN N N 120.067 0.03 1 302 1238 118 ALA H H 9.079 0.02 1 303 1238 118 ALA CA C 47.575 0.069 1 304 1238 118 ALA CB C 17.786 0.030 1 305 1238 118 ALA N N 128.159 0.03 1 306 1239 119 THR H H 7.865 0.02 1 307 1239 119 THR CA C 58.208 0.134 1 308 1239 119 THR CB C 67.931 0.05 1 309 1239 119 THR N N 115.911 0.03 1 310 1240 120 PHE H H 8.893 0.02 1 311 1240 120 PHE CA C 54.452 0.05 1 312 1240 120 PHE CB C 39.851 0.184 1 313 1240 120 PHE N N 123.785 0.03 1 314 1241 121 THR H H 9.548 0.02 1 315 1241 121 THR CA C 60.746 0.05 1 316 1241 121 THR CB C 65.734 0.05 1 317 1241 121 THR N N 121.160 0.03 1 318 1243 123 GLY H H 8.199 0.02 1 319 1243 123 GLY CA C 42.989 0.019 1 320 1243 123 GLY N N 107.599 0.03 1 321 1244 124 ARG H H 8.410 0.02 1 322 1244 124 ARG CA C 55.491 0.030 1 323 1244 124 ARG CB C 27.971 0.120 1 324 1244 124 ARG N N 121.707 0.03 1 325 1245 125 GLN H H 8.751 0.02 1 326 1245 125 GLN CA C 52.255 0.05 1 327 1245 125 GLN CB C 30.230 0.005 1 328 1245 125 GLN N N 120.941 0.03 1 329 1246 126 ILE H H 8.807 0.02 1 330 1246 126 ILE CA C 55.640 0.05 1 331 1246 126 ILE CB C 39.376 0.125 1 332 1246 126 ILE N N 114.926 0.03 1 333 1247 127 THR H H 9.090 0.02 1 334 1247 127 THR CA C 56.590 0.05 1 335 1247 127 THR CB C 69.228 0.229 1 336 1247 127 THR N N 110.552 0.03 1 337 1248 128 GLY H H 8.743 0.02 1 338 1248 128 GLY CA C 43.506 0.216 1 339 1248 128 GLY N N 104.865 0.03 1 340 1249 129 ILE H H 9.658 0.02 1 341 1249 129 ILE CA C 56.872 0.281 1 342 1249 129 ILE CB C 35.392 0.05 1 343 1249 129 ILE N N 122.035 0.03 1 344 1250 130 LEU H H 8.506 0.02 1 345 1250 130 LEU CA C 54.067 0.030 1 346 1250 130 LEU CB C 37.773 0.184 1 347 1250 130 LEU N N 129.581 0.03 1 348 1251 131 LYS H H 9.126 0.02 1 349 1251 131 LYS CA C 50.800 0.029 1 350 1251 131 LYS CB C 29.753 0.061 1 351 1251 131 LYS N N 126.300 0.03 1 352 1252 132 GLY H H 7.793 0.02 1 353 1252 132 GLY CA C 43.030 0.097 1 354 1252 132 GLY N N 106.177 0.03 1 355 1253 133 PHE H H 7.530 0.02 1 356 1253 133 PHE CA C 53.235 0.030 1 357 1253 133 PHE CB C 38.159 0.154 1 358 1253 133 PHE N N 114.817 0.03 1 359 1254 134 ASP H H 8.222 0.02 1 360 1254 134 ASP CA C 48.901 0.030 1 361 1254 134 ASP CB C 40.202 0.060 1 362 1254 134 ASP N N 118.645 0.03 1 363 1255 135 GLN H H 8.300 0.02 1 364 1255 135 GLN CA C 54.125 0.029 1 365 1255 135 GLN CB C 24.911 0.148 1 366 1255 135 GLN N N 114.598 0.03 1 367 1256 136 LEU H H 8.081 0.02 1 368 1256 136 LEU CA C 51.288 0.101 1 369 1256 136 LEU CB C 37.411 0.059 1 370 1256 136 LEU N N 121.816 0.03 1 371 1257 137 MET H H 7.964 0.02 1 372 1257 137 MET CA C 54.423 0.029 1 373 1257 137 MET CB C 26.931 0.208 1 374 1257 137 MET N N 112.302 0.03 1 375 1258 138 ASN H H 7.976 0.02 1 376 1258 138 ASN CA C 50.812 0.101 1 377 1258 138 ASN CB C 34.891 0.153 1 378 1258 138 ASN N N 111.208 0.03 1 379 1259 139 LEU H H 8.700 0.02 1 380 1259 139 LEU CA C 50.099 0.101 1 381 1259 139 LEU CB C 43.030 0.038 1 382 1259 139 LEU N N 117.879 0.03 1 383 1260 140 VAL H H 8.395 0.02 1 384 1260 140 VAL CA C 59.381 0.05 1 385 1260 140 VAL CB C 30.020 0.091 1 386 1260 140 VAL N N 120.941 0.03 1 387 1261 141 LEU H H 9.044 0.02 1 388 1261 141 LEU CA C 49.475 0.129 1 389 1261 141 LEU CB C 43.200 0.030 1 390 1261 141 LEU N N 127.503 0.03 1 391 1262 142 ASP H H 9.282 0.02 1 392 1262 142 ASP CA C 47.653 0.148 1 393 1262 142 ASP CB C 41.990 0.127 1 394 1262 142 ASP N N 119.629 0.03 1 395 1263 143 ASP H H 8.823 0.02 1 396 1263 143 ASP CA C 52.077 0.119 1 397 1263 143 ASP CB C 37.446 0.035 1 398 1263 143 ASP N N 122.363 0.03 1 399 1264 144 VAL H H 9.102 0.02 1 400 1264 144 VAL CA C 60.063 0.089 1 401 1264 144 VAL CB C 27.882 0.149 1 402 1264 144 VAL N N 118.317 0.03 1 403 1265 145 GLU H H 8.920 0.02 1 404 1265 145 GLU CA C 51.519 0.036 1 405 1265 145 GLU CB C 29.320 0.348 1 406 1265 145 GLU N N 128.378 0.03 1 407 1266 146 GLU H H 9.333 0.02 1 408 1266 146 GLU CA C 51.213 0.071 1 409 1266 146 GLU CB C 28.906 0.066 1 410 1266 146 GLU N N 125.019 0.03 1 411 1267 147 GLN H H 8.271 0.02 1 412 1267 147 GLN CA C 52.879 0.101 1 413 1267 147 GLN CB C 25.319 0.023 1 414 1267 147 GLN N N 126.738 0.03 1 415 1268 148 LEU H H 7.880 0.003 1 416 1268 148 LEU CA C 52.771 0.017 1 417 1268 148 LEU CB C 38.559 0.009 1 418 1268 148 LEU N N 125.457 0.03 1 419 1269 149 ARG H H 8.654 0.02 1 420 1269 149 ARG CA C 51.496 0.005 1 421 1269 149 ARG CB C 29.676 0.138 1 422 1269 149 ARG N N 120.504 0.03 1 423 1270 150 ASN H H 8.985 0.02 1 424 1270 150 ASN CA C 47.580 0.05 1 425 1270 150 ASN CB C 35.927 0.05 1 426 1270 150 ASN N N 124.769 0.03 1 427 1271 151 PRO CA C 61.257 0.05 1 428 1271 151 PRO CB C 29.219 0.05 1 429 1272 152 GLU H H 8.195 0.02 1 430 1272 152 GLU CA C 55.608 0.030 1 431 1272 152 GLU CB C 26.836 0.066 1 432 1272 152 GLU N N 116.457 0.03 1 433 1273 153 ASP H H 7.177 0.02 1 434 1273 153 ASP CA C 50.136 0.05 1 435 1273 153 ASP CB C 39.139 0.006 1 436 1273 153 ASP N N 114.051 0.03 1 437 1274 154 GLY H H 8.512 0.02 1 438 1274 154 GLY CA C 43.085 0.071 1 439 1274 154 GLY N N 110.552 0.03 1 440 1275 155 LYS H H 8.385 0.02 1 441 1275 155 LYS CA C 53.328 0.140 1 442 1275 155 LYS CB C 29.561 0.034 1 443 1275 155 LYS N N 121.738 0.03 1 444 1276 156 LEU H H 8.579 0.02 1 445 1276 156 LEU CA C 52.738 0.05 1 446 1276 156 LEU CB C 38.072 0.046 1 447 1276 156 LEU N N 123.019 0.03 1 448 1277 157 THR H H 8.173 0.02 1 449 1277 157 THR CA C 58.891 0.05 1 450 1277 157 THR CB C 67.164 0.05 1 451 1277 157 THR N N 112.411 0.03 1 452 1278 158 GLY CA C 41.864 0.05 1 453 1279 159 ALA H H 7.909 0.02 1 454 1279 159 ALA CA C 48.703 0.070 1 455 1279 159 ALA CB C 17.341 0.059 1 456 1279 159 ALA N N 124.113 0.03 1 457 1280 160 ILE H H 8.423 0.02 1 458 1280 160 ILE CA C 55.704 0.005 1 459 1280 160 ILE CB C 39.964 0.05 1 460 1280 160 ILE N N 116.676 0.03 1 461 1281 161 ARG H H 8.627 0.02 1 462 1281 161 ARG CA C 51.364 0.059 1 463 1281 161 ARG CB C 30.020 0.091 1 464 1281 161 ARG N N 117.801 0.03 1 465 1282 162 LYS H H 8.966 0.02 1 466 1282 162 LYS CA C 53.396 0.072 1 467 1282 162 LYS CB C 29.008 0.030 1 468 1282 162 LYS N N 125.425 0.03 1 469 1283 163 LEU H H 8.378 0.02 1 470 1283 163 LEU CA C 51.851 0.191 1 471 1283 163 LEU CB C 40.557 0.059 1 472 1283 163 LEU N N 123.566 0.03 1 473 1284 164 GLY H H 7.626 0.02 1 474 1284 164 GLY CA C 43.891 0.247 1 475 1284 164 GLY N N 106.833 0.03 1 476 1285 165 LEU H H 7.712 0.02 1 477 1285 165 LEU CA C 52.090 0.071 1 478 1285 165 LEU CB C 38.836 0.05 1 479 1285 165 LEU N N 129.472 0.03 1 480 1286 166 VAL H H 9.184 0.02 1 481 1286 166 VAL CA C 56.264 0.029 1 482 1286 166 VAL CB C 33.198 0.003 1 483 1286 166 VAL N N 122.035 0.03 1 484 1287 167 VAL H H 8.947 0.02 1 485 1287 167 VAL CA C 58.312 0.05 1 486 1287 167 VAL CB C 29.264 0.047 1 487 1287 167 VAL N N 122.035 0.03 1 488 1288 168 VAL H H 9.341 0.02 1 489 1288 168 VAL CA C 57.889 0.007 1 490 1288 168 VAL CB C 30.849 0.030 1 491 1288 168 VAL N N 129.691 0.03 1 492 1289 169 ARG H H 7.895 0.02 1 493 1289 169 ARG CA C 50.413 0.204 1 494 1289 169 ARG CB C 26.252 0.123 1 495 1289 169 ARG N N 125.457 0.03 1 496 1290 170 GLY H H 8.949 0.02 1 497 1290 170 GLY CA C 44.068 0.007 1 498 1290 170 GLY N N 112.192 0.03 1 499 1291 171 THR H H 7.131 0.02 1 500 1291 171 THR CA C 60.509 0.059 1 501 1291 171 THR CB C 65.902 0.167 1 502 1291 171 THR N N 106.615 0.03 1 503 1292 172 THR H H 7.347 0.02 1 504 1292 172 THR CA C 58.104 0.089 1 505 1292 172 THR CB C 66.644 0.019 1 506 1292 172 THR N N 108.255 0.03 1 507 1293 173 LEU H H 7.245 0.02 1 508 1293 173 LEU CA C 52.345 0.030 1 509 1293 173 LEU CB C 40.171 0.030 1 510 1293 173 LEU N N 126.082 0.03 1 511 1294 174 VAL H H 9.236 0.02 1 512 1294 174 VAL CA C 61.162 0.059 1 513 1294 174 VAL CB C 29.990 0.121 1 514 1294 174 VAL N N 125.535 0.03 1 515 1295 175 LEU H H 7.337 0.02 1 516 1295 175 LEU CA C 51.941 0.101 1 517 1295 175 LEU CB C 42.102 0.05 1 518 1295 175 LEU N N 118.535 0.03 1 519 1296 176 ILE H H 8.157 0.02 1 520 1296 176 ILE CA C 56.441 0.089 1 521 1296 176 ILE CB C 38.188 0.125 1 522 1296 176 ILE N N 117.770 0.03 1 523 1297 177 ALA H H 8.935 0.02 1 524 1297 177 ALA CA C 46.317 0.05 1 525 1297 177 ALA CB C 18.350 0.05 1 526 1297 177 ALA N N 126.300 0.03 1 527 1308 188 PRO CA C 60.839 0.05 1 528 1308 188 PRO CB C 28.549 0.05 1 529 1309 189 PHE H H 7.868 0.02 1 530 1309 189 PHE CA C 54.490 0.086 1 531 1309 189 PHE CB C 35.257 0.144 1 532 1309 189 PHE N N 117.770 0.03 1 533 1310 190 VAL H H 6.863 0.02 1 534 1310 190 VAL CA C 59.220 0.192 1 535 1310 190 VAL CB C 28.977 0.029 1 536 1310 190 VAL N N 121.598 0.03 1 537 1311 191 GLN H H 8.501 0.02 1 538 1311 191 GLN CA C 52.235 0.05 1 539 1311 191 GLN CB C 26.209 0.05 1 540 1311 191 GLN N N 126.410 0.03 1 stop_ save_