data_19477 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for P130 Cas substrate domain ; _BMRB_accession_number 19477 _BMRB_flat_file_name bmr19477.str _Entry_type original _Submission_date 2013-09-05 _Accession_date 2013-09-05 _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 Liu Xiao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 238 "15N chemical shifts" 238 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'HN(CA)N and HN(COCA)N experiments for assignment of large disordered proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24052412 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Xiao . . 2 Yang Daiwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 57 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 83 _Page_last 89 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'P130Cas SD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'P130Cas SD, chain 1' $P130Cas_substrate_domian 'P130Cas SD, chain 2' $P130Cas_substrate_domian 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_P130Cas_substrate_domian _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P130Cas_substrate_domian _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 306 _Mol_residue_sequence ; PDNVYLVPTPSKTQQGLYQA PGPNPQFQSPPAKQTSTFSK QTPHHSFPSPATDLYQVPPG PGSPAQDIYQVPPSAGTGHD IYQVPPSLDTRSWEGTKPPA KVVVPTRVGQGYVYEASQAE QDEYDTPRHLLAPGSQDIYD VPPVRGLLPNQYGQEVYDTP PMAVKGPNGRDPLLDVYDVP PSVEKGLPPSNHHSVYDVPP SVSKDVPDGPLLREETYDVP PAFAKPKPFDPTRHPLILAA PPPDSPPAEDVYDVPPPAPD LYDVPPGLRRPGPGTLYDVP RERVLPPEVADGSVIDDGVY AVPPPA ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 ASP 3 ASN 4 VAL 5 TYR 6 LEU 7 VAL 8 PRO 9 THR 10 PRO 11 SER 12 LYS 13 THR 14 GLN 15 GLN 16 GLY 17 LEU 18 TYR 19 GLN 20 ALA 21 PRO 22 GLY 23 PRO 24 ASN 25 PRO 26 GLN 27 PHE 28 GLN 29 SER 30 PRO 31 PRO 32 ALA 33 LYS 34 GLN 35 THR 36 SER 37 THR 38 PHE 39 SER 40 LYS 41 GLN 42 THR 43 PRO 44 HIS 45 HIS 46 SER 47 PHE 48 PRO 49 SER 50 PRO 51 ALA 52 THR 53 ASP 54 LEU 55 TYR 56 GLN 57 VAL 58 PRO 59 PRO 60 GLY 61 PRO 62 GLY 63 SER 64 PRO 65 ALA 66 GLN 67 ASP 68 ILE 69 TYR 70 GLN 71 VAL 72 PRO 73 PRO 74 SER 75 ALA 76 GLY 77 THR 78 GLY 79 HIS 80 ASP 81 ILE 82 TYR 83 GLN 84 VAL 85 PRO 86 PRO 87 SER 88 LEU 89 ASP 90 THR 91 ARG 92 SER 93 TRP 94 GLU 95 GLY 96 THR 97 LYS 98 PRO 99 PRO 100 ALA 101 LYS 102 VAL 103 VAL 104 VAL 105 PRO 106 THR 107 ARG 108 VAL 109 GLY 110 GLN 111 GLY 112 TYR 113 VAL 114 TYR 115 GLU 116 ALA 117 SER 118 GLN 119 ALA 120 GLU 121 GLN 122 ASP 123 GLU 124 TYR 125 ASP 126 THR 127 PRO 128 ARG 129 HIS 130 LEU 131 LEU 132 ALA 133 PRO 134 GLY 135 SER 136 GLN 137 ASP 138 ILE 139 TYR 140 ASP 141 VAL 142 PRO 143 PRO 144 VAL 145 ARG 146 GLY 147 LEU 148 LEU 149 PRO 150 ASN 151 GLN 152 TYR 153 GLY 154 GLN 155 GLU 156 VAL 157 TYR 158 ASP 159 THR 160 PRO 161 PRO 162 MET 163 ALA 164 VAL 165 LYS 166 GLY 167 PRO 168 ASN 169 GLY 170 ARG 171 ASP 172 PRO 173 LEU 174 LEU 175 ASP 176 VAL 177 TYR 178 ASP 179 VAL 180 PRO 181 PRO 182 SER 183 VAL 184 GLU 185 LYS 186 GLY 187 LEU 188 PRO 189 PRO 190 SER 191 ASN 192 HIS 193 HIS 194 SER 195 VAL 196 TYR 197 ASP 198 VAL 199 PRO 200 PRO 201 SER 202 VAL 203 SER 204 LYS 205 ASP 206 VAL 207 PRO 208 ASP 209 GLY 210 PRO 211 LEU 212 LEU 213 ARG 214 GLU 215 GLU 216 THR 217 TYR 218 ASP 219 VAL 220 PRO 221 PRO 222 ALA 223 PHE 224 ALA 225 LYS 226 PRO 227 LYS 228 PRO 229 PHE 230 ASP 231 PRO 232 THR 233 ARG 234 HIS 235 PRO 236 LEU 237 ILE 238 LEU 239 ALA 240 ALA 241 PRO 242 PRO 243 PRO 244 ASP 245 SER 246 PRO 247 PRO 248 ALA 249 GLU 250 ASP 251 VAL 252 TYR 253 ASP 254 VAL 255 PRO 256 PRO 257 PRO 258 ALA 259 PRO 260 ASP 261 LEU 262 TYR 263 ASP 264 VAL 265 PRO 266 PRO 267 GLY 268 LEU 269 ARG 270 ARG 271 PRO 272 GLY 273 PRO 274 GLY 275 THR 276 LEU 277 TYR 278 ASP 279 VAL 280 PRO 281 ARG 282 GLU 283 ARG 284 VAL 285 LEU 286 PRO 287 PRO 288 GLU 289 VAL 290 ALA 291 ASP 292 GLY 293 SER 294 VAL 295 ILE 296 ASP 297 ASP 298 GLY 299 VAL 300 TYR 301 ALA 302 VAL 303 PRO 304 PRO 305 PRO 306 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 DBJ BAA06169 "Crk-associated substrate, p130 [Rattus norvegicus]" 100.00 968 100.00 100.00 0.00e+00 DBJ BAA06170 "alternatively spliced product [Rattus norvegicus]" 100.00 874 100.00 100.00 0.00e+00 GB EDL92583 "breast cancer anti-estrogen resistance 1, isoform CRA_a [Rattus norvegicus]" 100.00 874 100.00 100.00 0.00e+00 GB EDL92584 "breast cancer anti-estrogen resistance 1, isoform CRA_b [Rattus norvegicus]" 100.00 874 100.00 100.00 0.00e+00 GB EDL92585 "breast cancer anti-estrogen resistance 1, isoform CRA_c [Rattus norvegicus]" 100.00 845 100.00 100.00 0.00e+00 REF NP_037063 "breast cancer anti-estrogen resistance protein 1 [Rattus norvegicus]" 100.00 968 100.00 100.00 0.00e+00 REF XP_006255690 "PREDICTED: breast cancer anti-estrogen resistance protein 1 isoform X1 [Rattus norvegicus]" 100.00 874 100.00 100.00 0.00e+00 REF XP_006255691 "PREDICTED: breast cancer anti-estrogen resistance protein 1 isoform X2 [Rattus norvegicus]" 100.00 874 100.00 100.00 0.00e+00 SP Q63767 "RecName: Full=Breast cancer anti-estrogen resistance protein 1; AltName: Full=CRK-associated substrate; AltName: Full=p130cas" 100.00 968 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $P130Cas_substrate_domian Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $P130Cas_substrate_domian 'recombinant technology' . Escherichia coli . BL21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_P130CasSD_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $P130Cas_substrate_domian 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRspy _Saveframe_category software _Name NMRspy _Version . loop_ _Vendor _Address _Electronic_address 'Zheng, Liu and Yang' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $P130CasSD_1 save_ save_3D_HN(CA)N_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)N' _Sample_label $P130CasSD_1 save_ save_3D_HN(COCA)N_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)N' _Sample_label $P130CasSD_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 20 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 '2D 1H-15N HSQC' '3D HN(CA)N' '3D HN(COCA)N' stop_ loop_ _Sample_label $P130CasSD_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'P130Cas SD, chain 1' _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 2 2 ASP H H 8.640 0.01 1 2 2 2 ASP N N 120.299 0.09 1 3 3 3 ASN H H 8.262 0.01 1 4 3 3 ASN N N 118.219 0.09 1 5 4 4 VAL H H 7.862 0.01 1 6 4 4 VAL N N 119.417 0.09 1 7 5 5 TYR H H 8.144 0.01 1 8 5 5 TYR N N 123.206 0.09 1 9 6 6 LEU H H 7.945 0.01 1 10 6 6 LEU N N 124.277 0.09 1 11 7 7 VAL H H 7.984 0.01 1 12 7 7 VAL N N 122.646 0.09 1 13 9 9 THR H H 8.216 0.01 1 14 9 9 THR N N 117.164 0.09 1 15 11 11 SER H H 8.360 0.01 1 16 11 11 SER N N 116.111 0.09 1 17 12 12 LYS H H 8.403 0.01 1 18 12 12 LYS N N 123.226 0.09 1 19 13 13 THR H H 8.086 0.01 1 20 13 13 THR N N 114.289 0.09 1 21 14 14 GLN H H 8.314 0.01 1 22 14 14 GLN N N 122.460 0.09 1 23 15 15 GLN H H 8.349 0.01 1 24 15 15 GLN N N 121.369 0.09 1 25 16 16 GLY H H 8.369 0.01 1 26 16 16 GLY N N 109.710 0.09 1 27 17 17 LEU H H 7.920 0.01 1 28 17 17 LEU N N 121.350 0.09 1 29 18 18 TYR H H 8.168 0.01 1 30 18 18 TYR N N 120.943 0.09 1 31 19 19 GLN H H 7.994 0.01 1 32 19 19 GLN N N 123.285 0.09 1 33 20 20 ALA H H 8.252 0.01 1 34 20 20 ALA N N 127.416 0.09 1 35 22 22 GLY H H 8.158 0.01 1 36 22 22 GLY N N 108.789 0.09 1 37 24 24 ASN H H 8.474 0.01 1 38 24 24 ASN N N 119.736 0.09 1 39 26 26 GLN H H 8.299 0.01 1 40 26 26 GLN N N 119.143 0.09 1 41 27 27 PHE H H 7.986 0.01 1 42 27 27 PHE N N 120.085 0.09 1 43 28 28 GLN H H 8.130 0.01 1 44 28 28 GLN N N 121.908 0.09 1 45 29 29 SER H H 8.293 0.01 1 46 29 29 SER N N 118.945 0.09 1 47 32 32 ALA H H 8.352 0.01 1 48 32 32 ALA N N 124.555 0.09 1 49 33 33 LYS H H 8.248 0.01 1 50 33 33 LYS N N 120.422 0.09 1 51 34 34 GLN H H 8.411 0.01 1 52 34 34 GLN N N 121.872 0.09 1 53 35 35 THR H H 8.229 0.01 1 54 35 35 THR N N 115.612 0.09 1 55 36 36 SER H H 8.344 0.01 1 56 36 36 SER N N 118.013 0.09 1 57 37 37 THR H H 8.116 0.01 1 58 37 37 THR N N 115.797 0.09 1 59 38 38 PHE H H 8.144 0.01 1 60 38 38 PHE N N 122.117 0.09 1 61 39 39 SER H H 8.128 0.01 1 62 39 39 SER N N 117.317 0.09 1 63 40 40 LYS H H 8.248 0.01 1 64 40 40 LYS N N 123.109 0.09 1 65 41 41 GLN H H 8.299 0.01 1 66 41 41 GLN N N 121.071 0.09 1 67 42 42 THR H H 8.194 0.01 1 68 42 42 THR N N 118.152 0.09 1 69 47 47 PHE H H 8.228 0.01 1 70 47 47 PHE N N 122.683 0.09 1 71 49 49 SER H H 8.352 0.01 1 72 49 49 SER N N 117.670 0.09 1 73 51 51 ALA H H 8.309 0.01 1 74 51 51 ALA N N 123.810 0.09 1 75 52 52 THR H H 7.976 0.01 1 76 52 52 THR N N 112.158 0.09 1 77 53 53 ASP H H 8.214 0.01 1 78 53 53 ASP N N 122.333 0.09 1 79 54 54 LEU H H 7.967 0.01 1 80 54 54 LEU N N 121.781 0.09 1 81 55 55 TYR H H 8.044 0.01 1 82 55 55 TYR N N 119.805 0.09 1 83 56 56 GLN H H 8.017 0.01 1 84 56 56 GLN N N 122.460 0.09 1 85 57 57 VAL H H 8.070 0.01 1 86 57 57 VAL N N 123.073 0.09 1 87 60 60 GLY H H 8.163 0.01 1 88 60 60 GLY N N 108.760 0.09 1 89 62 62 GLY H H 8.496 0.01 1 90 62 62 GLY N N 109.479 0.09 1 91 63 63 SER H H 8.076 0.01 1 92 63 63 SER N N 116.856 0.09 1 93 65 65 ALA H H 8.295 0.01 1 94 65 65 ALA N N 112.351 0.09 1 95 66 66 GLN H H 8.222 0.01 1 96 66 66 GLN N N 118.877 0.09 1 97 67 67 ASP H H 8.293 0.01 1 98 67 67 ASP N N 121.478 0.09 1 99 68 68 ILE H H 7.837 0.01 1 100 68 68 ILE N N 119.331 0.09 1 101 69 69 TYR H H 8.122 0.01 1 102 69 69 TYR N N 123.072 0.09 1 103 70 70 GLN H H 7.994 0.01 1 104 70 70 GLN N N 122.261 0.09 1 105 71 71 VAL H H 8.066 0.01 1 106 71 71 VAL N N 123.064 0.09 1 107 74 74 SER H H 8.239 0.01 1 108 74 74 SER N N 115.343 0.09 1 109 75 75 ALA H H 8.329 0.01 1 110 75 75 ALA N N 125.887 0.09 1 111 76 76 GLY H H 8.331 0.01 1 112 76 76 GLY N N 107.812 0.09 1 113 77 77 THR H H 8.077 0.01 1 114 77 77 THR N N 112.520 0.09 1 115 78 78 GLY H H 8.460 0.01 1 116 78 78 GLY N N 110.779 0.09 1 117 79 79 HIS H H 8.167 0.01 1 118 79 79 HIS N N 118.473 0.09 1 119 80 80 ASP H H 8.353 0.01 1 120 80 80 ASP N N 121.341 0.09 1 121 81 81 ILE H H 7.928 0.01 1 122 81 81 ILE N N 119.618 0.09 1 123 82 82 TYR H H 8.121 0.01 1 124 82 82 TYR N N 123.073 0.09 1 125 83 83 GLN H H 7.990 0.01 1 126 83 83 GLN N N 121.991 0.09 1 127 84 84 VAL H H 8.068 0.01 1 128 84 84 VAL N N 123.073 0.09 1 129 87 87 SER H H 8.208 0.01 1 130 87 87 SER N N 114.992 0.09 1 131 88 88 LEU H H 8.239 0.01 1 132 88 88 LEU N N 123.957 0.09 1 133 89 89 ASP H H 8.250 0.01 1 134 89 89 ASP N N 121.098 0.09 1 135 90 90 THR H H 8.047 0.01 1 136 90 90 THR N N 114.883 0.09 1 137 91 91 ARG H H 8.211 0.01 1 138 91 91 ARG N N 122.568 0.09 1 139 92 92 SER H H 8.155 0.01 1 140 92 92 SER N N 115.930 0.09 1 141 93 93 TRP H H 8.008 0.01 1 142 93 93 TRP N N 122.490 0.09 1 143 94 94 GLU H H 8.146 0.01 1 144 94 94 GLU N N 122.568 0.09 1 145 95 95 GLY H H 7.876 0.01 1 146 95 95 GLY N N 108.985 0.09 1 147 96 96 THR H H 7.970 0.01 1 148 96 96 THR N N 113.702 0.09 1 149 97 97 LYS H H 8.244 0.01 1 150 97 97 LYS N N 125.093 0.09 1 151 100 100 ALA H H 8.245 0.01 1 152 100 100 ALA N N 124.155 0.09 1 153 101 101 LYS H H 8.199 0.01 1 154 101 101 LYS N N 120.683 0.09 1 155 102 102 VAL H H 8.138 0.01 1 156 102 102 VAL N N 122.614 0.09 1 157 103 103 VAL H H 8.280 0.01 1 158 103 103 VAL N N 125.616 0.09 1 159 104 104 VAL H H 8.253 0.01 1 160 104 104 VAL N N 126.329 0.09 1 161 106 106 THR H H 8.152 0.01 1 162 106 106 THR N N 114.847 0.09 1 163 107 107 ARG H H 8.308 0.01 1 164 107 107 ARG N N 123.524 0.09 1 165 108 108 VAL H H 8.127 0.01 1 166 108 108 VAL N N 121.558 0.09 1 167 109 109 GLY H H 8.464 0.01 1 168 109 109 GLY N N 112.773 0.09 1 169 110 110 GLN H H 8.233 0.01 1 170 110 110 GLN N N 119.880 0.09 1 171 111 111 GLY H H 8.377 0.01 1 172 111 111 GLY N N 109.643 0.09 1 173 112 112 TYR H H 7.961 0.01 1 174 112 112 TYR N N 120.024 0.09 1 175 113 113 VAL H H 7.936 0.01 1 176 113 113 VAL N N 122.234 0.09 1 177 114 114 TYR H H 8.167 0.01 1 178 114 114 TYR N N 124.164 0.09 1 179 115 115 GLU H H 8.180 0.01 1 180 115 115 GLU N N 123.560 0.09 1 181 116 116 ALA H H 8.229 0.01 1 182 116 116 ALA N N 125.526 0.09 1 183 117 117 SER H H 8.264 0.01 1 184 117 117 SER N N 114.901 0.09 1 185 118 118 GLN H H 8.314 0.01 1 186 118 118 GLN N N 122.081 0.09 1 187 119 119 ALA H H 8.190 0.01 1 188 119 119 ALA N N 124.372 0.09 1 189 120 120 GLU H H 8.276 0.01 1 190 120 120 GLU N N 119.673 0.09 1 191 121 121 GLN H H 8.247 0.01 1 192 121 121 GLN N N 120.417 0.09 1 193 122 122 ASP H H 8.329 0.01 1 194 122 122 ASP N N 121.540 0.09 1 195 123 123 GLU H H 8.256 0.01 1 196 123 123 GLU N N 120.710 0.09 1 197 124 124 TYR H H 8.112 0.01 1 198 124 124 TYR N N 120.033 0.09 1 199 125 125 ASP H H 8.193 0.01 1 200 125 125 ASP N N 121.044 0.09 1 201 126 126 THR H H 7.918 0.01 1 202 126 126 THR N N 116.633 0.09 1 203 128 128 ARG H H 8.338 0.01 1 204 128 128 ARG N N 120.980 0.09 1 205 129 129 HIS H H 8.241 0.01 1 206 129 129 HIS N N 118.662 0.09 1 207 130 130 LEU H H 8.004 0.01 1 208 130 130 LEU N N 122.649 0.09 1 209 131 131 LEU H H 7.996 0.01 1 210 131 131 LEU N N 122.423 0.09 1 211 132 132 ALA H H 8.185 0.01 1 212 132 132 ALA N N 125.788 0.09 1 213 134 134 GLY H H 8.528 0.01 1 214 134 134 GLY N N 109.796 0.09 1 215 135 135 SER H H 8.099 0.01 1 216 135 135 SER N N 115.433 0.09 1 217 136 136 GLN H H 8.449 0.01 1 218 136 136 GLN N N 121.368 0.09 1 219 137 137 ASP H H 8.257 0.01 1 220 137 137 ASP N N 121.359 0.09 1 221 138 138 ILE H H 7.791 0.01 1 222 138 138 ILE N N 119.177 0.09 1 223 139 139 TYR H H 8.067 0.01 1 224 139 139 TYR N N 122.793 0.09 1 225 140 140 ASP H H 8.088 0.01 1 226 140 140 ASP N N 122.117 0.09 1 227 141 141 VAL H H 8.064 0.01 1 228 141 141 VAL N N 123.092 0.09 1 229 144 144 VAL H H 8.069 0.01 1 230 144 144 VAL N N 120.133 0.09 1 231 145 145 ARG H H 8.368 0.01 1 232 145 145 ARG N N 124.787 0.09 1 233 146 146 GLY H H 8.317 0.01 1 234 146 146 GLY N N 109.724 0.09 1 235 147 147 LEU H H 8.012 0.01 1 236 147 147 LEU N N 121.278 0.09 1 237 148 148 LEU H H 8.210 0.01 1 238 148 148 LEU N N 123.903 0.09 1 239 150 150 ASN H H 8.372 0.01 1 240 150 150 ASN N N 117.310 0.09 1 241 151 151 GLN H H 8.203 0.01 1 242 151 151 GLN N N 119.745 0.09 1 243 152 152 TYR H H 8.102 0.01 1 244 152 152 TYR N N 120.232 0.09 1 245 153 153 GLY H H 8.280 0.01 1 246 153 153 GLY N N 110.292 0.09 1 247 154 154 GLN H H 8.111 0.01 1 248 154 154 GLN N N 119.384 0.09 1 249 155 155 GLU H H 8.539 0.01 1 250 155 155 GLU N N 122.036 0.09 1 251 156 156 VAL H H 7.977 0.01 1 252 156 156 VAL N N 120.340 0.09 1 253 157 157 TYR H H 8.117 0.01 1 254 157 157 TYR N N 123.307 0.09 1 255 158 158 ASP H H 8.268 0.01 1 256 158 158 ASP N N 121.982 0.09 1 257 159 159 THR H H 7.980 0.01 1 258 159 159 THR N N 116.543 0.09 1 259 162 162 MET H H 8.303 0.01 1 260 162 162 MET N N 120.069 0.09 1 261 163 163 ALA H H 8.234 0.01 1 262 163 163 ALA N N 125.436 0.09 1 263 164 164 VAL H H 8.048 0.01 1 264 164 164 VAL N N 119.591 0.09 1 265 165 165 LYS H H 8.341 0.01 1 266 165 165 LYS N N 125.057 0.09 1 267 166 166 GLY H H 8.232 0.01 1 268 166 166 GLY N N 110.076 0.09 1 269 168 168 ASN H H 8.551 0.01 1 270 168 168 ASN N N 118.202 0.09 1 271 169 169 GLY H H 8.253 0.01 1 272 169 169 GLY N N 108.795 0.09 1 273 170 170 ARG H H 7.990 0.01 1 274 170 170 ARG N N 120.306 0.09 1 275 171 171 ASP H H 8.433 0.01 1 276 171 171 ASP N N 124.336 0.09 1 277 173 173 LEU H H 8.355 0.01 1 278 173 173 LEU N N 119.970 0.09 1 279 174 174 LEU H H 7.784 0.01 1 280 174 174 LEU N N 120.448 0.09 1 281 175 175 ASP H H 8.034 0.01 1 282 175 175 ASP N N 120.611 0.09 1 283 176 176 VAL H H 7.661 0.01 1 284 176 176 VAL N N 118.347 0.09 1 285 177 177 TYR H H 8.073 0.01 1 286 177 177 TYR N N 122.622 0.09 1 287 178 178 ASP H H 8.222 0.01 1 288 178 178 ASP N N 122.423 0.09 1 289 179 179 VAL H H 7.899 0.01 1 290 179 179 VAL N N 121.269 0.09 1 291 182 182 SER H H 8.260 0.01 1 292 182 182 SER N N 115.587 0.09 1 293 183 183 VAL H H 8.101 0.01 1 294 183 183 VAL N N 121.603 0.09 1 295 184 184 GLU H H 8.397 0.01 1 296 184 184 GLU N N 124.209 0.09 1 297 185 185 LYS H H 8.287 0.01 1 298 185 185 LYS N N 122.234 0.09 1 299 186 186 GLY H H 8.309 0.01 1 300 186 186 GLY N N 109.427 0.09 1 301 187 187 LEU H H 8.025 0.01 1 302 187 187 LEU N N 122.748 0.09 1 303 190 190 SER H H 8.333 0.01 1 304 190 190 SER N N 115.623 0.09 1 305 191 191 ASN H H 8.377 0.01 1 306 191 191 ASN N N 120.277 0.09 1 307 193 193 HIS H H 8.349 0.01 1 308 193 193 HIS N N 121.359 0.09 1 309 194 194 SER H H 7.684 0.01 1 310 194 194 SER N N 118.284 0.09 1 311 195 195 VAL H H 8.101 0.01 1 312 195 195 VAL N N 121.025 0.09 1 313 196 196 TYR H H 7.994 0.01 1 314 196 196 TYR N N 121.828 0.09 1 315 197 197 ASP H H 8.088 0.01 1 316 197 197 ASP N N 122.081 0.09 1 317 198 198 VAL H H 7.896 0.01 1 318 198 198 VAL N N 121.269 0.09 1 319 201 201 SER H H 8.266 0.01 1 320 201 201 SER N N 115.596 0.09 1 321 202 202 VAL H H 8.088 0.01 1 322 202 202 VAL N N 121.431 0.09 1 323 203 203 SER H H 8.314 0.01 1 324 203 203 SER N N 119.366 0.09 1 325 204 204 LYS H H 8.343 0.01 1 326 204 204 LYS N N 123.488 0.09 1 327 205 205 ASP H H 8.296 0.01 1 328 205 205 ASP N N 121.359 0.09 1 329 206 206 VAL H H 7.944 0.01 1 330 206 206 VAL N N 120.756 0.09 1 331 208 208 ASP H H 8.329 0.01 1 332 208 208 ASP N N 120.331 0.09 1 333 209 209 GLY H H 8.034 0.01 1 334 209 209 GLY N N 108.858 0.09 1 335 211 211 LEU H H 8.233 0.01 1 336 211 211 LEU N N 121.927 0.09 1 337 212 212 LEU H H 8.158 0.01 1 338 212 212 LEU N N 123.488 0.09 1 339 213 213 ARG H H 8.233 0.01 1 340 213 213 ARG N N 122.162 0.09 1 341 214 214 GLU H H 8.469 0.01 1 342 214 214 GLU N N 122.541 0.09 1 343 215 215 GLU H H 8.466 0.01 1 344 215 215 GLU N N 122.171 0.09 1 345 216 216 THR H H 8.032 0.01 1 346 216 216 THR N N 114.604 0.09 1 347 217 217 TYR H H 8.111 0.01 1 348 217 217 TYR N N 121.964 0.09 1 349 218 218 ASP H H 8.296 0.01 1 350 218 218 ASP N N 122.198 0.09 1 351 219 219 VAL H H 7.944 0.01 1 352 219 219 VAL N N 120.746 0.09 1 353 222 222 ALA H H 8.215 0.01 1 354 222 222 ALA N N 122.784 0.09 1 355 223 223 PHE H H 7.924 0.01 1 356 223 223 PHE N N 117.706 0.09 1 357 224 224 ALA H H 7.955 0.01 1 358 224 224 ALA N N 125.265 0.09 1 359 225 225 LYS H H 8.133 0.01 1 360 225 225 LYS N N 122.117 0.09 1 361 227 227 LYS H H 8.407 0.01 1 362 227 227 LYS N N 123.037 0.09 1 363 229 229 PHE H H 8.211 0.01 1 364 229 229 PHE N N 120.692 0.09 1 365 230 230 ASP H H 8.117 0.01 1 366 230 230 ASP N N 124.760 0.09 1 367 232 232 THR H H 8.167 0.01 1 368 232 232 THR N N 112.087 0.09 1 369 233 233 ARG H H 7.644 0.01 1 370 233 233 ARG N N 121.918 0.09 1 371 234 234 HIS H H 8.112 0.01 1 372 234 234 HIS N N 120.899 0.09 1 373 236 236 LEU H H 8.415 0.01 1 374 236 236 LEU N N 122.234 0.09 1 375 237 237 ILE H H 8.073 0.01 1 376 237 237 ILE N N 122.640 0.09 1 377 238 238 LEU H H 8.243 0.01 1 378 238 238 LEU N N 126.879 0.09 1 379 239 239 ALA H H 8.144 0.01 1 380 239 239 ALA N N 125.039 0.09 1 381 240 240 ALA H H 8.119 0.01 1 382 240 240 ALA N N 124.624 0.09 1 383 244 244 ASP H H 8.332 0.01 1 384 244 244 ASP N N 119.772 0.09 1 385 245 245 SER H H 8.047 0.01 1 386 245 245 SER N N 116.588 0.09 1 387 248 248 ALA H H 8.355 0.01 1 388 248 248 ALA N N 124.624 0.09 1 389 249 249 GLU H H 8.362 0.01 1 390 249 249 GLU N N 119.772 0.09 1 391 250 250 ASP H H 8.298 0.01 1 392 250 250 ASP N N 121.332 0.09 1 393 251 251 VAL H H 7.851 0.01 1 394 251 251 VAL N N 119.321 0.09 1 395 252 252 TYR H H 8.143 0.01 1 396 252 252 TYR N N 123.280 0.09 1 397 253 253 ASP H H 8.188 0.01 1 398 253 253 ASP N N 122.180 0.09 1 399 254 254 VAL H H 7.897 0.01 1 400 254 254 VAL N N 121.269 0.09 1 401 258 258 ALA H H 8.259 0.01 1 402 258 258 ALA N N 125.374 0.09 1 403 260 260 ASP H H 8.287 0.01 1 404 260 260 ASP N N 119.402 0.09 1 405 261 261 LEU H H 7.936 0.01 1 406 261 261 LEU N N 121.837 0.09 1 407 262 262 TYR H H 7.995 0.01 1 408 262 262 TYR N N 119.240 0.09 1 409 263 263 ASP H H 8.166 0.01 1 410 263 263 ASP N N 121.558 0.09 1 411 264 264 VAL H H 7.895 0.01 1 412 264 264 VAL N N 121.251 0.09 1 413 267 267 GLY H H 8.450 0.01 1 414 267 267 GLY N N 107.641 0.09 1 415 268 268 LEU H H 7.866 0.01 1 416 268 268 LEU N N 120.863 0.09 1 417 269 269 ARG H H 8.020 0.01 1 418 269 269 ARG N N 121.449 0.09 1 419 270 270 ARG H H 8.329 0.01 1 420 270 270 ARG N N 123.578 0.09 1 421 272 272 GLY H H 8.231 0.01 1 422 272 272 GLY N N 109.050 0.09 1 423 274 274 GLY H H 8.548 0.01 1 424 274 274 GLY N N 109.336 0.09 1 425 275 275 THR H H 7.915 0.01 1 426 275 275 THR N N 113.666 0.09 1 427 276 276 LEU H H 8.156 0.01 1 428 276 276 LEU N N 123.957 0.09 1 429 277 277 TYR H H 7.970 0.01 1 430 277 277 TYR N N 119.655 0.09 1 431 278 278 ASP H H 8.147 0.01 1 432 278 278 ASP N N 121.828 0.09 1 433 279 279 VAL H H 7.845 0.01 1 434 279 279 VAL N N 121.242 0.09 1 435 281 281 ARG H H 8.364 0.01 1 436 281 281 ARG N N 121.648 0.09 1 437 282 282 GLU H H 8.424 0.01 1 438 282 282 GLU N N 121.296 0.09 1 439 283 283 ARG H H 8.309 0.01 1 440 283 283 ARG N N 122.153 0.09 1 441 284 284 VAL H H 8.159 0.01 1 442 284 284 VAL N N 122.505 0.09 1 443 285 285 LEU H H 8.325 0.01 1 444 285 285 LEU N N 128.006 0.09 1 445 288 288 GLU H H 8.547 0.01 1 446 288 288 GLU N N 120.087 0.09 1 447 289 289 VAL H H 8.013 0.01 1 448 289 289 VAL N N 120.674 0.09 1 449 290 290 ALA H H 8.322 0.01 1 450 290 290 ALA N N 127.790 0.09 1 451 291 291 ASP H H 8.245 0.01 1 452 291 291 ASP N N 119.898 0.09 1 453 292 292 GLY H H 8.330 0.01 1 454 292 292 GLY N N 109.742 0.09 1 455 293 293 SER H H 8.191 0.01 1 456 293 293 SER N N 115.984 0.09 1 457 294 294 VAL H H 8.046 0.01 1 458 294 294 VAL N N 121.621 0.09 1 459 295 295 ILE H H 8.192 0.01 1 460 295 295 ILE N N 125.003 0.09 1 461 296 296 ASP H H 8.325 0.01 1 462 296 296 ASP N N 125.039 0.09 1 463 297 297 ASP H H 8.303 0.01 1 464 297 297 ASP N N 122.117 0.09 1 465 298 298 GLY H H 8.417 0.01 1 466 298 298 GLY N N 108.795 0.09 1 467 299 299 VAL H H 7.751 0.01 1 468 299 299 VAL N N 119.465 0.09 1 469 300 300 TYR H H 8.164 0.01 1 470 300 300 TYR N N 123.334 0.09 1 471 301 301 ALA H H 8.015 0.01 1 472 301 301 ALA N N 126.148 0.09 1 473 302 302 VAL H H 7.992 0.01 1 474 302 302 VAL N N 121.143 0.09 1 475 306 306 ALA H H 7.877 0.01 1 476 306 306 ALA N N 129.808 0.09 1 stop_ save_