data_25197 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; wrapping silk W2 ; _BMRB_accession_number 25197 _BMRB_flat_file_name bmr25197.str _Entry_type original _Submission_date 2014-09-03 _Accession_date 2014-09-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'W2 backbone chemical shifts' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tremblay Marie-Laurence . . 2 Rainey Jan K. . 3 Liu Xiang-Qin . . 4 Xu Lingling . . 5 Meng Qing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 374 "13C chemical shifts" 786 "15N chemical shifts" 374 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-04 original BMRB . stop_ _Original_release_date 2015-09-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Spider wrapping silk fibre architecture arising from its modular soluble protein precursor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26112753 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tremblay Marie-Laurence . . 2 Xu Lingling . . 3 Lefevre Thierry . . 4 Sarker Muzaddid . . 5 Orrell Kathleen E. . 6 Leclerc Jereie . . 7 Meng Qing . . 8 Pezolet Michel . . 9 Auger Michele . . 10 Liu Xiang-Qin . . 11 Rainey Jan K. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11502 _Page_last 11502 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'wrapping silk W2' _Enzyme_commission_number none loop_ _Mol_system_component_name _Mol_label 'AcSp1 W2' $W2 stop_ _System_molecular_weight 38022.2092 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Makes fibres tougher than Kevlar... in theory.' stop_ _Database_query_date . _Details 'recombinant wrapping silk' save_ ######################## # Monomeric polymers # ######################## save_W2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common W2 _Molecular_mass 38022.2092 _Mol_thiol_state 'not present' loop_ _Biological_function 'aciniform spider silk' stop_ _Details none ############################## # Polymer residue sequence # ############################## _Residue_count 399 _Mol_residue_sequence ; AGPQGGFGATGGASAGLISR VANALANTSTLRTVLRTGVS QQIASSVVQRAAQSLASTLG VDGNNLARFAVQAVSRLPAG SDTSAYAQAFSSALFNAGVL NASNIDTLGSRVLSALLNGV SSAAQGLGINVDSGSVQSDI SSSSSFLSTSSSSASYSQAS ASSTSGAGYTGPSGPSTGPS GYPGPLGGGAPFGQSGFGGS AGPQGGFGATGGASAGLISR VANALANTSTLRTVLRTGVS QQIASSVVQRAAQSLASTLG VDGNNLARFAVQAVSRLPAG SDTSAYAQAFSSALFNAGVL NASNIDTLGSRVLSALLNGV SSAAQGLGINVDSGSVQSDI SSSSSFLSTSSSSASYSQAS ASSTSGAGYTGPSGPSTGPS GYPGPLGGGAPFGQSGFGG ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLY 3 PRO 4 GLN 5 GLY 6 GLY 7 PHE 8 GLY 9 ALA 10 THR 11 GLY 12 GLY 13 ALA 14 SER 15 ALA 16 GLY 17 LEU 18 ILE 19 SER 20 ARG 21 VAL 22 ALA 23 ASN 24 ALA 25 LEU 26 ALA 27 ASN 28 THR 29 SER 30 THR 31 LEU 32 ARG 33 THR 34 VAL 35 LEU 36 ARG 37 THR 38 GLY 39 VAL 40 SER 41 GLN 42 GLN 43 ILE 44 ALA 45 SER 46 SER 47 VAL 48 VAL 49 GLN 50 ARG 51 ALA 52 ALA 53 GLN 54 SER 55 LEU 56 ALA 57 SER 58 THR 59 LEU 60 GLY 61 VAL 62 ASP 63 GLY 64 ASN 65 ASN 66 LEU 67 ALA 68 ARG 69 PHE 70 ALA 71 VAL 72 GLN 73 ALA 74 VAL 75 SER 76 ARG 77 LEU 78 PRO 79 ALA 80 GLY 81 SER 82 ASP 83 THR 84 SER 85 ALA 86 TYR 87 ALA 88 GLN 89 ALA 90 PHE 91 SER 92 SER 93 ALA 94 LEU 95 PHE 96 ASN 97 ALA 98 GLY 99 VAL 100 LEU 101 ASN 102 ALA 103 SER 104 ASN 105 ILE 106 ASP 107 THR 108 LEU 109 GLY 110 SER 111 ARG 112 VAL 113 LEU 114 SER 115 ALA 116 LEU 117 LEU 118 ASN 119 GLY 120 VAL 121 SER 122 SER 123 ALA 124 ALA 125 GLN 126 GLY 127 LEU 128 GLY 129 ILE 130 ASN 131 VAL 132 ASP 133 SER 134 GLY 135 SER 136 VAL 137 GLN 138 SER 139 ASP 140 ILE 141 SER 142 SER 143 SER 144 SER 145 SER 146 PHE 147 LEU 148 SER 149 THR 150 SER 151 SER 152 SER 153 SER 154 ALA 155 SER 156 TYR 157 SER 158 GLN 159 ALA 160 SER 161 ALA 162 SER 163 SER 164 THR 165 SER 166 GLY 167 ALA 168 GLY 169 TYR 170 THR 171 GLY 172 PRO 173 SER 174 GLY 175 PRO 176 SER 177 THR 178 GLY 179 PRO 180 SER 181 GLY 182 TYR 183 PRO 184 GLY 185 PRO 186 LEU 187 GLY 188 GLY 189 GLY 190 ALA 191 PRO 192 PHE 193 GLY 194 GLN 195 SER 196 GLY 197 PHE 198 GLY 199 GLY 200 SER 201 ALA 202 GLY 203 PRO 204 GLN 205 GLY 206 GLY 207 PHE 208 GLY 209 ALA 210 THR 211 GLY 212 GLY 213 ALA 214 SER 215 ALA 216 GLY 217 LEU 218 ILE 219 SER 220 ARG 221 VAL 222 ALA 223 ASN 224 ALA 225 LEU 226 ALA 227 ASN 228 THR 229 SER 230 THR 231 LEU 232 ARG 233 THR 234 VAL 235 LEU 236 ARG 237 THR 238 GLY 239 VAL 240 SER 241 GLN 242 GLN 243 ILE 244 ALA 245 SER 246 SER 247 VAL 248 VAL 249 GLN 250 ARG 251 ALA 252 ALA 253 GLN 254 SER 255 LEU 256 ALA 257 SER 258 THR 259 LEU 260 GLY 261 VAL 262 ASP 263 GLY 264 ASN 265 ASN 266 LEU 267 ALA 268 ARG 269 PHE 270 ALA 271 VAL 272 GLN 273 ALA 274 VAL 275 SER 276 ARG 277 LEU 278 PRO 279 ALA 280 GLY 281 SER 282 ASP 283 THR 284 SER 285 ALA 286 TYR 287 ALA 288 GLN 289 ALA 290 PHE 291 SER 292 SER 293 ALA 294 LEU 295 PHE 296 ASN 297 ALA 298 GLY 299 VAL 300 LEU 301 ASN 302 ALA 303 SER 304 ASN 305 ILE 306 ASP 307 THR 308 LEU 309 GLY 310 SER 311 ARG 312 VAL 313 LEU 314 SER 315 ALA 316 LEU 317 LEU 318 ASN 319 GLY 320 VAL 321 SER 322 SER 323 ALA 324 ALA 325 GLN 326 GLY 327 LEU 328 GLY 329 ILE 330 ASN 331 VAL 332 ASP 333 SER 334 GLY 335 SER 336 VAL 337 GLN 338 SER 339 ASP 340 ILE 341 SER 342 SER 343 SER 344 SER 345 SER 346 PHE 347 LEU 348 SER 349 THR 350 SER 351 SER 352 SER 353 SER 354 ALA 355 SER 356 TYR 357 SER 358 GLN 359 ALA 360 SER 361 ALA 362 SER 363 SER 364 THR 365 SER 366 GLY 367 ALA 368 GLY 369 TYR 370 THR 371 GLY 372 PRO 373 SER 374 GLY 375 PRO 376 SER 377 THR 378 GLY 379 PRO 380 SER 381 GLY 382 TYR 383 PRO 384 GLY 385 PRO 386 LEU 387 GLY 388 GLY 389 GLY 390 ALA 391 PRO 392 PHE 393 GLY 394 GLN 395 SER 396 GLY 397 PHE 398 GLY 399 GLY 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 _Strain _Variant _Organ _Gene_mnemonic $W2 spider 156845 Eukaryota Metazoa Argiope trifasciata none none 'aciniform spidroin' 'AcSp1 gene' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $W2 'recombinant technology' 'Escherichia coli BL21' Escherichia coli BL21 DE3 pET31 none stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_W2-1 _Saveframe_category sample _Sample_type solution _Details 'aa 1-199 uniformly 13C and 15N labelled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $W2 0.2 mM '[U-13C; U-15N]' DSS 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 'sodium acetate' 20 mM [U-2H] stop_ save_ save_W2-2 _Saveframe_category sample _Sample_type solution _Details 'aa201-399 uniformly 13C and 15N labelled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $W2 0.2 mM '[U-13C; U-15N]' DSS 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 'sodium acetate' 20 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Spectrum display, data Analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_NMRpipe _Saveframe_category software _Name NMRpipe _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Dr. Delaglio and Dr. Bax' NIH http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'Data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NRC700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $W2-1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $W2-1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $W2-1 save_ save_2D_1H-15N_HSQC/HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $W2-1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $W2-1 save_ save_2D_1H-15N_HSQC/HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $W2-2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $W2-2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $W2-2 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $W2-2 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $W2-2 save_ ####################### # Sample conditions # ####################### save_sample1 _Saveframe_category sample_conditions _Details '20 mM sodium acetate, 1mM DSS, 1mM NaN3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.100 . M pH 5.020 . pH pressure 1.000 . atm temperature 303.150 . 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 internal indirect . . . 0.25 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.10 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '3D HNCO' '3D HN(CO)CA' '3D HNCA' '2D 1H-15N HSQC/HMQC' '3D HN(CA)CO' stop_ loop_ _Sample_label $W2-1 $W2-2 stop_ _Sample_conditions_label $sample1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'AcSp1 W2' _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 1 1 ALA C C 177.522 . 1 2 1 1 ALA CA C 52.533 . 1 3 2 2 GLY H H 8.235 0.002 1 4 2 2 GLY C C 171.896 . 1 5 2 2 GLY CA C 44.543 . 1 6 2 2 GLY N N 108.458 0.058 1 7 3 3 PRO C C 177.446 . 1 8 3 3 PRO CA C 63.352 . 1 9 4 4 GLN H H 8.576 0.001 1 10 4 4 GLN C C 176.569 0.007 1 11 4 4 GLN CA C 55.999 0.015 1 12 4 4 GLN N N 120.771 0.01 1 13 5 5 GLY H H 8.350 0.002 1 14 5 5 GLY C C 174.416 0.01 1 15 5 5 GLY CA C 45.323 0.014 1 16 5 5 GLY N N 109.796 0.038 1 17 6 6 GLY H H 8.134 0.001 1 18 6 6 GLY C C 174.022 0.012 1 19 6 6 GLY CA C 45.133 0.026 1 20 6 6 GLY N N 108.282 0.025 1 21 7 7 PHE H H 8.188 0.001 1 22 7 7 PHE C C 176.459 0.005 1 23 7 7 PHE CA C 58.097 0.039 1 24 7 7 PHE N N 119.813 0.032 1 25 8 8 GLY H H 8.390 0.003 1 26 8 8 GLY C C 173.938 0.008 1 27 8 8 GLY CA C 45.343 0.006 1 28 8 8 GLY N N 110.337 0.02 1 29 9 9 ALA H H 8.141 0.005 1 30 9 9 ALA C C 178.192 0.014 1 31 9 9 ALA CA C 52.688 0.006 1 32 9 9 ALA N N 123.718 0.048 1 33 10 10 THR H H 8.109 0.001 1 34 10 10 THR C C 175.285 0.01 1 35 10 10 THR CA C 61.946 0.015 1 36 10 10 THR N N 112.199 0.018 1 37 11 11 GLY H H 8.334 0.004 1 38 11 11 GLY C C 174.696 0.075 1 39 11 11 GLY CA C 45.378 0.006 1 40 11 11 GLY N N 110.776 0.033 1 41 12 12 GLY H H 8.204 0.004 1 42 12 12 GLY C C 174.541 0.0 1 43 12 12 GLY CA C 45.398 . 1 44 12 12 GLY N N 108.398 0.011 1 45 13 13 ALA H H 8.320 0.001 1 46 13 13 ALA C C 178.283 0.01 1 47 13 13 ALA CA C 53.060 0.043 1 48 13 13 ALA N N 123.966 0.021 1 49 14 14 SER H H 8.174 0.002 1 50 14 14 SER C C 174.834 0.01 1 51 14 14 SER CA C 58.783 0.01 1 52 14 14 SER N N 114.130 0.069 1 53 15 15 ALA H H 8.153 0.001 1 54 15 15 ALA C C 179.994 0.01 1 55 15 15 ALA CA C 55.035 0.009 1 56 15 15 ALA N N 124.768 0.049 1 57 16 16 GLY H H 8.377 0.001 1 58 16 16 GLY C C 176.120 0.002 1 59 16 16 GLY CA C 46.579 0.002 1 60 16 16 GLY N N 106.053 0.023 1 61 17 17 LEU H H 7.494 0.001 1 62 17 17 LEU C C 177.810 0.013 1 63 17 17 LEU CA C 57.682 0.0 1 64 17 17 LEU N N 122.909 0.025 1 65 18 18 ILE H H 7.501 0.001 1 66 18 18 ILE C C 180.403 0.009 1 67 18 18 ILE CA C 64.751 0.014 1 68 18 18 ILE N N 118.375 0.023 1 69 19 19 SER H H 8.075 0.001 1 70 19 19 SER C C 175.674 0.001 1 71 19 19 SER CA C 61.656 0.002 1 72 19 19 SER N N 115.512 0.017 1 73 20 20 ARG H H 7.843 0.001 1 74 20 20 ARG C C 178.839 0.0 1 75 20 20 ARG CA C 59.993 0.011 1 76 20 20 ARG N N 123.093 0.019 1 77 21 21 VAL H H 7.753 0.002 1 78 21 21 VAL C C 177.194 0.011 1 79 21 21 VAL CA C 66.815 0.007 1 80 21 21 VAL N N 118.357 0.022 1 81 22 22 ALA H H 8.302 0.002 1 82 22 22 ALA C C 179.162 0.005 1 83 22 22 ALA CA C 55.804 0.008 1 84 22 22 ALA N N 121.190 0.036 1 85 23 23 ASN H H 8.643 0.001 1 86 23 23 ASN C C 177.166 0.008 1 87 23 23 ASN CA C 55.961 0.009 1 88 23 23 ASN N N 116.173 0.025 1 89 24 24 ALA H H 7.536 0.001 1 90 24 24 ALA C C 179.733 0.012 1 91 24 24 ALA CA C 54.717 0.007 1 92 24 24 ALA N N 121.166 0.043 1 93 25 25 LEU H H 7.819 0.002 1 94 25 25 LEU C C 178.894 0.017 1 95 25 25 LEU CA C 56.911 0.016 1 96 25 25 LEU N N 115.024 0.046 1 97 26 26 ALA H H 8.822 0.002 1 98 26 26 ALA C C 176.854 0.013 1 99 26 26 ALA CA C 54.675 0.011 1 100 26 26 ALA N N 121.224 0.029 1 101 27 27 ASN H H 7.085 0.001 1 102 27 27 ASN C C 175.506 0.005 1 103 27 27 ASN CA C 52.645 0.004 1 104 27 27 ASN N N 113.030 0.01 1 105 28 28 THR H H 7.402 0.001 1 106 28 28 THR C C 174.331 0.011 1 107 28 28 THR CA C 60.810 0.001 1 108 28 28 THR N N 109.641 0.02 1 109 29 29 SER H H 9.897 0.002 1 110 29 29 SER C C 178.616 0.025 1 111 29 29 SER CA C 61.969 0.023 1 112 29 29 SER N N 122.692 0.044 1 113 30 30 THR H H 10.259 0.008 1 114 30 30 THR C C 175.480 0.005 1 115 30 30 THR CA C 68.309 0.022 1 116 30 30 THR N N 120.764 0.015 1 117 31 31 LEU H H 7.400 0.003 1 118 31 31 LEU C C 178.278 0.008 1 119 31 31 LEU CA C 59.786 0.009 1 120 31 31 LEU N N 118.688 0.07 1 121 32 32 ARG H H 7.617 0.001 1 122 32 32 ARG C C 177.737 0.006 1 123 32 32 ARG CA C 58.969 0.006 1 124 32 32 ARG N N 114.440 0.017 1 125 33 33 THR H H 7.785 0.002 1 126 33 33 THR C C 174.688 0.004 1 127 33 33 THR CA C 65.369 0.001 1 128 33 33 THR N N 111.337 0.022 1 129 34 34 VAL H H 7.394 0.002 1 130 34 34 VAL C C 175.023 0.004 1 131 34 34 VAL CA C 65.440 0.071 1 132 34 34 VAL N N 118.537 0.045 1 133 35 35 LEU H H 8.106 0.001 1 134 35 35 LEU C C 172.923 0.01 1 135 35 35 LEU CA C 52.068 0.009 1 136 35 35 LEU N N 119.515 0.025 1 137 36 36 ARG H H 6.274 0.001 1 138 36 36 ARG C C 174.571 0.021 1 139 36 36 ARG CA C 53.842 0.013 1 140 36 36 ARG N N 116.536 0.022 1 141 37 37 THR H H 8.309 0.001 1 142 37 37 THR C C 175.685 0.018 1 143 37 37 THR CA C 65.181 0.001 1 144 37 37 THR N N 117.169 0.03 1 145 38 38 GLY H H 8.929 0.001 1 146 38 38 GLY C C 174.870 0.0 1 147 38 38 GLY CA C 45.021 0.026 1 148 38 38 GLY N N 115.121 0.024 1 149 39 39 VAL H H 8.064 0.003 1 150 39 39 VAL C C 174.735 0.003 1 151 39 39 VAL CA C 62.131 0.007 1 152 39 39 VAL N N 122.743 0.042 1 153 40 40 SER H H 8.422 0.001 1 154 40 40 SER C C 175.159 0.015 1 155 40 40 SER CA C 57.890 0.005 1 156 40 40 SER N N 123.105 0.035 1 157 41 41 GLN H H 9.057 0.001 1 158 41 41 GLN C C 178.817 0.011 1 159 41 41 GLN CA C 59.430 . 1 160 41 41 GLN N N 123.814 0.014 1 161 42 42 GLN H H 8.573 0.004 1 162 42 42 GLN C C 178.868 0.0 1 163 42 42 GLN CA C 59.446 0.014 1 164 42 42 GLN N N 118.865 0.096 1 165 43 43 ILE H H 7.467 0.001 1 166 43 43 ILE C C 177.522 0.004 1 167 43 43 ILE CA C 63.507 0.002 1 168 43 43 ILE N N 121.318 0.039 1 169 44 44 ALA H H 8.524 0.001 1 170 44 44 ALA C C 179.274 0.005 1 171 44 44 ALA CA C 55.687 0.157 1 172 44 44 ALA N N 121.536 0.022 1 173 45 45 SER H H 8.314 0.003 1 174 45 45 SER C C 176.230 . 1 175 45 45 SER CA C 62.313 . 1 176 45 45 SER N N 110.144 0.012 1 177 46 46 SER H H 7.635 0.002 1 178 46 46 SER C C 176.662 0.008 1 179 46 46 SER CA C 62.371 0.002 1 180 46 46 SER N N 117.026 0.013 1 181 47 47 VAL H H 8.646 0.001 1 182 47 47 VAL C C 177.486 0.024 1 183 47 47 VAL CA C 66.872 0.008 1 184 47 47 VAL N N 120.718 0.076 1 185 48 48 VAL H H 8.180 0.001 1 186 48 48 VAL C C 177.018 . 1 187 48 48 VAL CA C 66.912 0.011 1 188 48 48 VAL N N 116.241 0.023 1 189 49 49 GLN H H 8.269 0.001 1 190 49 49 GLN C C 177.815 0.017 1 191 49 49 GLN CA C 60.307 0.034 1 192 49 49 GLN N N 119.790 0.033 1 193 50 50 ARG H H 8.011 0.002 1 194 50 50 ARG C C 179.698 0.011 1 195 50 50 ARG CA C 59.003 0.012 1 196 50 50 ARG N N 117.351 0.009 1 197 51 51 ALA H H 9.006 0.001 1 198 51 51 ALA C C 179.353 0.001 1 199 51 51 ALA CA C 55.474 0.015 1 200 51 51 ALA N N 122.153 0.035 1 201 52 52 ALA H H 8.567 0.002 1 202 52 52 ALA C C 178.956 . 1 203 52 52 ALA CA C 55.547 0.003 1 204 52 52 ALA N N 119.356 0.022 1 205 53 53 GLN H H 7.921 0.001 1 206 53 53 GLN C C 179.342 0.002 1 207 53 53 GLN CA C 59.343 0.005 1 208 53 53 GLN N N 116.162 0.023 1 209 54 54 SER H H 8.303 0.001 1 210 54 54 SER C C 176.860 0.05 1 211 54 54 SER CA C 61.765 0.025 1 212 54 54 SER N N 116.196 0.026 1 213 55 55 LEU H H 8.495 0.002 1 214 55 55 LEU C C 178.016 0.013 1 215 55 55 LEU CA C 58.460 0.068 1 216 55 55 LEU N N 123.185 0.024 1 217 56 56 ALA H H 8.196 0.011 1 218 56 56 ALA C C 179.602 0.008 1 219 56 56 ALA CA C 55.544 0.028 1 220 56 56 ALA N N 121.831 0.057 1 221 57 57 SER H H 7.997 0.001 1 222 57 57 SER C C 177.281 . 1 223 57 57 SER CA C 61.337 0.011 1 224 57 57 SER N N 112.904 0.022 1 225 58 58 THR H H 8.050 0.002 1 226 58 58 THR C C 175.702 0.023 1 227 58 58 THR CA C 65.933 0.012 1 228 58 58 THR N N 117.391 0.033 1 229 59 59 LEU H H 7.901 0.001 1 230 59 59 LEU C C 177.203 0.013 1 231 59 59 LEU CA C 55.049 0.003 1 232 59 59 LEU N N 118.116 0.029 1 233 60 60 GLY H H 8.008 0.001 1 234 60 60 GLY C C 175.066 0.007 1 235 60 60 GLY CA C 46.607 0.004 1 236 60 60 GLY N N 108.862 0.026 1 237 61 61 VAL H H 7.567 0.008 1 238 61 61 VAL C C 174.876 0.001 1 239 61 61 VAL CA C 58.902 0.034 1 240 61 61 VAL N N 111.793 0.048 1 241 62 62 ASP H H 8.336 0.002 1 242 62 62 ASP C C 177.911 0.017 1 243 62 62 ASP CA C 54.925 0.005 1 244 62 62 ASP N N 119.772 0.052 1 245 63 63 GLY H H 8.871 0.001 1 246 63 63 GLY C C 174.879 0.007 1 247 63 63 GLY CA C 46.935 0.006 1 248 63 63 GLY N N 115.881 0.021 1 249 64 64 ASN H H 8.361 0.001 1 250 64 64 ASN C C 177.904 0.016 1 251 64 64 ASN CA C 56.556 0.003 1 252 64 64 ASN N N 120.584 0.032 1 253 65 65 ASN H H 8.436 0.011 1 254 65 65 ASN C C 176.689 0.008 1 255 65 65 ASN CA C 56.138 0.045 1 256 65 65 ASN N N 119.391 0.064 1 257 66 66 LEU H H 7.933 0.001 1 258 66 66 LEU C C 177.838 0.011 1 259 66 66 LEU CA C 58.646 0.007 1 260 66 66 LEU N N 118.977 0.026 1 261 67 67 ALA H H 8.528 0.001 1 262 67 67 ALA C C 178.707 0.007 1 263 67 67 ALA CA C 55.740 0.001 1 264 67 67 ALA N N 118.984 0.049 1 265 68 68 ARG H H 7.760 0.002 1 266 68 68 ARG C C 179.433 0.006 1 267 68 68 ARG CA C 59.964 0.028 1 268 68 68 ARG N N 117.610 0.027 1 269 69 69 PHE H H 8.031 0.002 1 270 69 69 PHE C C 179.201 0.012 1 271 69 69 PHE CA C 61.673 0.021 1 272 69 69 PHE N N 116.841 0.053 1 273 70 70 ALA H H 8.732 0.001 1 274 70 70 ALA C C 178.287 0.002 1 275 70 70 ALA CA C 55.847 0.02 1 276 70 70 ALA N N 123.133 0.021 1 277 71 71 VAL H H 8.744 0.002 1 278 71 71 VAL C C 179.272 0.01 1 279 71 71 VAL CA C 66.857 0.014 1 280 71 71 VAL N N 117.831 0.027 1 281 72 72 GLN H H 8.125 0.001 1 282 72 72 GLN C C 178.584 0.008 1 283 72 72 GLN CA C 59.363 0.011 1 284 72 72 GLN N N 120.642 0.022 1 285 73 73 ALA H H 7.857 0.001 1 286 73 73 ALA C C 180.852 0.008 1 287 73 73 ALA CA C 55.177 0.002 1 288 73 73 ALA N N 119.982 0.033 1 289 74 74 VAL H H 8.083 0.001 1 290 74 74 VAL C C 178.351 0.012 1 291 74 74 VAL CA C 65.133 0.049 1 292 74 74 VAL N N 115.006 0.073 1 293 75 75 SER H H 8.362 0.001 1 294 75 75 SER C C 174.486 . 1 295 75 75 SER CA C 61.366 0.011 1 296 75 75 SER N N 117.106 0.032 1 297 76 76 ARG H H 6.953 0.001 1 298 76 76 ARG C C 176.501 0.006 1 299 76 76 ARG CA C 55.767 0.013 1 300 76 76 ARG N N 117.501 0.025 1 301 77 77 LEU H H 7.323 0.001 1 302 77 77 LEU C C 175.387 . 1 303 77 77 LEU CA C 52.927 . 1 304 77 77 LEU N N 121.749 0.021 1 305 78 78 PRO C C 177.550 . 1 306 78 78 PRO CA C 61.981 . 1 307 79 79 ALA H H 8.755 0.001 1 308 79 79 ALA C C 178.840 0.006 1 309 79 79 ALA CA C 53.554 0.007 1 310 79 79 ALA N N 125.934 0.044 1 311 80 80 GLY H H 8.938 0.002 1 312 80 80 GLY C C 175.038 0.004 1 313 80 80 GLY CA C 45.629 0.005 1 314 80 80 GLY N N 110.496 0.029 1 315 81 81 SER H H 7.537 0.001 1 316 81 81 SER C C 171.539 0.015 1 317 81 81 SER CA C 61.481 0.0 1 318 81 81 SER N N 117.043 0.035 1 319 82 82 ASP H H 8.295 0.001 1 320 82 82 ASP C C 176.652 0.007 1 321 82 82 ASP CA C 52.085 0.001 1 322 82 82 ASP N N 121.208 0.043 1 323 83 83 THR H H 8.281 0.002 1 324 83 83 THR C C 176.329 0.011 1 325 83 83 THR CA C 67.321 0.01 1 326 83 83 THR N N 115.022 0.051 1 327 84 84 SER H H 8.609 0.0 1 328 84 84 SER C C 175.941 . 1 329 84 84 SER CA C 62.562 0.003 1 330 84 84 SER N N 115.932 0.024 1 331 85 85 ALA H H 7.815 0.001 1 332 85 85 ALA C C 180.902 0.006 1 333 85 85 ALA CA C 54.982 0.008 1 334 85 85 ALA N N 125.919 0.031 1 335 86 86 TYR H H 7.627 0.002 1 336 86 86 TYR C C 178.237 0.009 1 337 86 86 TYR CA C 62.958 0.027 1 338 86 86 TYR N N 117.777 0.041 1 339 87 87 ALA H H 8.841 0.002 1 340 87 87 ALA C C 179.504 0.012 1 341 87 87 ALA CA C 55.770 0.01 1 342 87 87 ALA N N 121.819 0.025 1 343 88 88 GLN H H 8.230 0.002 1 344 88 88 GLN C C 177.863 0.009 1 345 88 88 GLN CA C 59.389 0.011 1 346 88 88 GLN N N 119.165 0.05 1 347 89 89 ALA H H 7.949 0.002 1 348 89 89 ALA C C 179.596 0.007 1 349 89 89 ALA CA C 55.166 0.002 1 350 89 89 ALA N N 122.977 0.046 1 351 90 90 PHE H H 8.433 0.001 1 352 90 90 PHE C C 178.400 0.012 1 353 90 90 PHE CA C 60.413 0.012 1 354 90 90 PHE N N 117.459 0.042 1 355 91 91 SER H H 8.408 0.001 1 356 91 91 SER C C 176.863 . 1 357 91 91 SER CA C 61.862 0.003 1 358 91 91 SER N N 111.571 0.046 1 359 92 92 SER H H 8.728 0.001 1 360 92 92 SER C C 176.511 . 1 361 92 92 SER CA C 62.546 0.03 1 362 92 92 SER N N 113.048 0.046 1 363 93 93 ALA H H 7.923 0.001 1 364 93 93 ALA C C 178.515 0.072 1 365 93 93 ALA CA C 55.844 0.008 1 366 93 93 ALA N N 123.711 0.044 1 367 94 94 LEU H H 8.048 0.004 1 368 94 94 LEU C C 179.282 0.06 1 369 94 94 LEU CA C 58.424 0.007 1 370 94 94 LEU N N 116.500 0.048 1 371 95 95 PHE H H 7.774 0.002 1 372 95 95 PHE C C 180.184 0.012 1 373 95 95 PHE CA C 60.748 0.012 1 374 95 95 PHE N N 117.294 0.023 1 375 96 96 ASN H H 9.207 0.001 1 376 96 96 ASN C C 176.625 0.008 1 377 96 96 ASN CA C 56.066 0.025 1 378 96 96 ASN N N 122.296 0.04 1 379 97 97 ALA H H 8.104 0.005 1 380 97 97 ALA C C 177.419 0.014 1 381 97 97 ALA CA C 52.241 0.007 1 382 97 97 ALA N N 117.309 0.077 1 383 98 98 GLY H H 7.508 0.001 1 384 98 98 GLY C C 174.230 0.009 1 385 98 98 GLY CA C 45.521 0.002 1 386 98 98 GLY N N 105.113 0.014 1 387 99 99 VAL H H 7.637 0.001 1 388 99 99 VAL C C 175.867 0.012 1 389 99 99 VAL CA C 64.911 0.014 1 390 99 99 VAL N N 119.026 0.027 1 391 100 100 LEU H H 6.401 0.002 1 392 100 100 LEU C C 174.448 0.007 1 393 100 100 LEU CA C 51.496 0.001 1 394 100 100 LEU N N 112.963 0.022 1 395 101 101 ASN H H 8.682 0.001 1 396 101 101 ASN C C 173.898 0.004 1 397 101 101 ASN CA C 52.199 0.01 1 398 101 101 ASN N N 114.582 0.028 1 399 102 102 ALA H H 8.867 0.001 1 400 102 102 ALA C C 178.924 0.008 1 401 102 102 ALA CA C 55.163 0.01 1 402 102 102 ALA N N 118.708 0.028 1 403 103 103 SER H H 8.419 0.002 1 404 103 103 SER C C 175.615 0.01 1 405 103 103 SER CA C 60.059 0.023 1 406 103 103 SER N N 111.457 0.041 1 407 104 104 ASN H H 7.998 0.001 1 408 104 104 ASN C C 178.770 0.01 1 409 104 104 ASN CA C 52.002 0.014 1 410 104 104 ASN N N 118.738 0.045 1 411 105 105 ILE H H 7.682 0.001 1 412 105 105 ILE C C 176.636 0.005 1 413 105 105 ILE CA C 64.473 0.006 1 414 105 105 ILE N N 121.491 0.044 1 415 106 106 ASP H H 8.323 0.001 1 416 106 106 ASP C C 177.199 0.002 1 417 106 106 ASP CA C 56.792 0.012 1 418 106 106 ASP N N 119.500 0.032 1 419 107 107 THR H H 7.593 0.001 1 420 107 107 THR C C 176.093 0.004 1 421 107 107 THR CA C 63.187 0.012 1 422 107 107 THR N N 110.548 0.024 1 423 108 108 LEU H H 8.730 0.002 1 424 108 108 LEU C C 177.858 0.017 1 425 108 108 LEU CA C 54.657 0.007 1 426 108 108 LEU N N 122.383 0.061 1 427 109 109 GLY H H 7.946 0.002 1 428 109 109 GLY C C 174.758 0.048 1 429 109 109 GLY CA C 49.043 0.008 1 430 109 109 GLY N N 107.565 0.025 1 431 110 110 SER H H 8.809 0.001 1 432 110 110 SER C C 176.765 0.017 1 433 110 110 SER CA C 62.219 0.001 1 434 110 110 SER N N 115.833 0.031 1 435 111 111 ARG H H 7.764 0.001 1 436 111 111 ARG C C 179.409 0.008 1 437 111 111 ARG CA C 59.078 0.076 1 438 111 111 ARG N N 123.838 0.028 1 439 112 112 VAL H H 8.359 0.002 1 440 112 112 VAL C C 177.073 0.025 1 441 112 112 VAL CA C 66.687 0.004 1 442 112 112 VAL N N 120.241 0.037 1 443 113 113 LEU H H 8.527 0.001 1 444 113 113 LEU CA C 58.843 . 1 445 113 113 LEU N N 119.365 0.036 1 446 114 114 SER C C 176.471 . 1 447 115 115 ALA H H 7.891 0.001 1 448 115 115 ALA C C 180.984 0.006 1 449 115 115 ALA CA C 54.863 0.011 1 450 115 115 ALA N N 122.717 0.028 1 451 116 116 LEU H H 8.839 0.002 1 452 116 116 LEU C C 178.439 0.06 1 453 116 116 LEU CA C 59.089 . 1 454 116 116 LEU N N 121.401 0.033 1 455 117 117 LEU H H 8.582 0.009 1 456 117 117 LEU C C 179.277 0.005 1 457 117 117 LEU CA C 58.937 0.092 1 458 117 117 LEU N N 120.772 0.033 1 459 118 118 ASN H H 8.181 0.001 1 460 118 118 ASN C C 177.970 0.008 1 461 118 118 ASN CA C 56.920 0.014 1 462 118 118 ASN N N 117.319 0.027 1 463 119 119 GLY H H 8.211 0.003 1 464 119 119 GLY C C 175.753 0.001 1 465 119 119 GLY CA C 47.219 0.005 1 466 119 119 GLY N N 109.297 0.065 1 467 120 120 VAL H H 8.947 0.002 1 468 120 120 VAL C C 176.720 . 1 469 120 120 VAL CA C 67.089 0.006 1 470 120 120 VAL N N 123.220 0.03 1 471 121 121 SER H H 8.104 0.002 1 472 121 121 SER C C 176.286 . 1 473 121 121 SER CA C 61.993 . 1 474 121 121 SER N N 113.741 0.027 1 475 122 122 SER H H 7.954 0.002 1 476 122 122 SER C C 177.662 . 1 477 122 122 SER CA C 61.778 0.023 1 478 122 122 SER N N 117.801 0.032 1 479 123 123 ALA H H 8.204 0.001 1 480 123 123 ALA C C 179.845 0.009 1 481 123 123 ALA CA C 54.517 0.02 1 482 123 123 ALA N N 124.562 0.042 1 483 124 124 ALA H H 8.480 0.003 1 484 124 124 ALA C C 179.594 0.001 1 485 124 124 ALA CA C 55.392 0.011 1 486 124 124 ALA N N 119.496 0.044 1 487 125 125 GLN H H 8.166 0.001 1 488 125 125 GLN C C 180.653 0.005 1 489 125 125 GLN CA C 59.316 0.006 1 490 125 125 GLN N N 118.444 0.028 1 491 126 126 GLY H H 7.891 0.001 1 492 126 126 GLY C C 174.818 0.005 1 493 126 126 GLY CA C 46.565 0.006 1 494 126 126 GLY N N 106.779 0.026 1 495 127 127 LEU H H 7.492 0.001 1 496 127 127 LEU C C 176.919 0.016 1 497 127 127 LEU CA C 54.427 0.011 1 498 127 127 LEU N N 120.118 0.051 1 499 128 128 GLY H H 7.770 0.001 1 500 128 128 GLY C C 174.114 0.006 1 501 128 128 GLY CA C 45.904 0.015 1 502 128 128 GLY N N 107.546 0.02 1 503 129 129 ILE H H 7.951 0.002 1 504 129 129 ILE C C 174.619 0.021 1 505 129 129 ILE CA C 60.773 0.078 1 506 129 129 ILE N N 122.438 0.038 1 507 130 130 ASN H H 8.401 0.01 1 508 130 130 ASN C C 174.509 0.001 1 509 130 130 ASN CA C 53.788 0.007 1 510 130 130 ASN N N 124.860 0.058 1 511 131 131 VAL H H 7.955 0.003 1 512 131 131 VAL C C 174.782 0.011 1 513 131 131 VAL CA C 61.058 0.041 1 514 131 131 VAL N N 122.933 . 1 515 132 132 ASP H H 8.587 0.001 1 516 132 132 ASP C C 177.201 0.009 1 517 132 132 ASP CA C 54.173 0.004 1 518 132 132 ASP N N 126.208 0.018 1 519 133 133 SER H H 8.863 0.001 1 520 133 133 SER C C 176.787 . 1 521 133 133 SER CA C 61.285 0.009 1 522 133 133 SER N N 121.898 0.036 1 523 134 134 GLY H H 8.698 0.001 1 524 134 134 GLY C C 176.435 0.006 1 525 134 134 GLY CA C 46.598 . 1 526 134 134 GLY N N 111.254 0.017 1 527 135 135 SER H H 7.888 0.001 1 528 135 135 SER C C 175.281 . 1 529 135 135 SER CA C 61.108 0.004 1 530 135 135 SER N N 118.441 0.028 1 531 136 136 VAL H H 7.623 0.001 1 532 136 136 VAL C C 177.863 0.002 1 533 136 136 VAL CA C 66.565 0.006 1 534 136 136 VAL N N 122.204 0.039 1 535 137 137 GLN H H 7.987 0.003 1 536 137 137 GLN C C 179.065 0.005 1 537 137 137 GLN CA C 58.965 0.0 1 538 137 137 GLN N N 117.676 0.072 1 539 138 138 SER H H 8.053 0.001 1 540 138 138 SER C C 176.871 . 1 541 138 138 SER CA C 61.280 0.001 1 542 138 138 SER N N 115.807 0.074 1 543 139 139 ASP H H 8.488 0.002 1 544 139 139 ASP C C 179.076 0.001 1 545 139 139 ASP CA C 56.662 0.002 1 546 139 139 ASP N N 123.443 0.081 1 547 140 140 ILE H H 8.529 0.002 1 548 140 140 ILE C C 178.405 0.047 1 549 140 140 ILE CA C 65.670 0.028 1 550 140 140 ILE N N 122.917 0.026 1 551 141 141 SER H H 8.046 0.002 1 552 141 141 SER C C 177.023 . 1 553 141 141 SER CA C 61.452 0.002 1 554 141 141 SER N N 116.501 0.002 1 555 142 142 SER H H 8.618 0.001 1 556 142 142 SER C C 176.946 . 1 557 142 142 SER CA C 61.043 0.029 1 558 142 142 SER N N 117.405 0.021 1 559 143 143 SER H H 8.472 0.002 1 560 143 143 SER C C 177.286 . 1 561 143 143 SER CA C 61.900 0.055 1 562 143 143 SER N N 119.318 0.041 1 563 144 144 SER H H 8.399 0.002 1 564 144 144 SER C C 176.628 . 1 565 144 144 SER CA C 61.749 . 1 566 144 144 SER N N 115.277 0.013 1 567 145 145 SER H H 7.980 0.001 1 568 145 145 SER C C 176.215 . 1 569 145 145 SER CA C 60.770 0.015 1 570 145 145 SER N N 117.633 0.027 1 571 146 146 PHE H H 8.143 0.003 1 572 146 146 PHE C C 177.440 0.01 1 573 146 146 PHE CA C 60.296 0.039 1 574 146 146 PHE N N 121.791 0.028 1 575 147 147 LEU H H 8.019 0.001 1 576 147 147 LEU C C 177.673 0.041 1 577 147 147 LEU CA C 56.610 0.016 1 578 147 147 LEU N N 119.277 0.017 1 579 148 148 SER H H 7.879 0.001 1 580 148 148 SER C C 175.593 0.002 1 581 148 148 SER CA C 59.587 0.003 1 582 148 148 SER N N 113.810 0.024 1 583 149 149 THR H H 8.123 0.0 1 584 149 149 THR C C 175.093 0.017 1 585 149 149 THR CA C 62.844 0.016 1 586 149 149 THR N N 115.038 0.018 1 587 150 150 SER H H 8.105 0.001 1 588 150 150 SER CA C 58.830 . 1 589 150 150 SER N N 117.146 0.043 1 590 152 152 SER C C 174.788 . 1 591 152 152 SER CA C 58.650 . 1 592 153 153 SER H H 8.220 0.003 1 593 153 153 SER C C 174.485 0.005 1 594 153 153 SER CA C 58.642 0.008 1 595 153 153 SER N N 117.539 0.026 1 596 154 154 ALA H H 8.190 0.006 1 597 154 154 ALA C C 177.781 0.004 1 598 154 154 ALA CA C 52.843 0.009 1 599 154 154 ALA N N 125.782 0.099 1 600 155 155 SER H H 8.088 0.002 1 601 155 155 SER C C 174.340 0.005 1 602 155 155 SER CA C 58.536 0.009 1 603 155 155 SER N N 114.336 0.077 1 604 156 156 TYR H H 8.008 0.001 1 605 156 156 TYR C C 175.858 0.027 1 606 156 156 TYR CA C 58.082 0.003 1 607 156 156 TYR N N 121.818 0.03 1 608 157 157 SER H H 8.077 0.006 1 609 157 157 SER C C 174.354 0.028 1 610 157 157 SER CA C 58.269 0.02 1 611 157 157 SER N N 117.153 0.033 1 612 158 158 GLN H H 8.266 0.001 1 613 158 158 GLN C C 175.866 0.01 1 614 158 158 GLN CA C 56.084 0.012 1 615 158 158 GLN N N 122.362 0.037 1 616 159 159 ALA H H 8.244 0.001 1 617 159 159 ALA C C 177.892 0.004 1 618 159 159 ALA CA C 52.867 0.006 1 619 159 159 ALA N N 124.864 0.035 1 620 160 160 SER H H 8.178 0.001 1 621 160 160 SER C C 174.524 0.005 1 622 160 160 SER CA C 58.372 0.01 1 623 160 160 SER N N 114.742 0.026 1 624 161 161 ALA H H 8.263 0.001 1 625 161 161 ALA C C 177.828 0.006 1 626 161 161 ALA CA C 52.807 0.005 1 627 161 161 ALA N N 125.887 0.037 1 628 162 162 SER H H 8.210 0.001 1 629 162 162 SER C C 174.820 0.015 1 630 162 162 SER CA C 58.443 0.01 1 631 162 162 SER N N 114.417 0.021 1 632 163 163 SER H H 8.284 0.001 1 633 163 163 SER C C 174.938 0.058 1 634 163 163 SER CA C 58.586 0.015 1 635 163 163 SER N N 117.571 0.028 1 636 164 164 THR H H 8.148 0.002 1 637 164 164 THR C C 174.734 0.007 1 638 164 164 THR CA C 61.891 0.008 1 639 164 164 THR N N 114.980 0.025 1 640 165 165 SER H H 8.197 0.001 1 641 165 165 SER C C 174.929 0.038 1 642 165 165 SER CA C 58.627 0.012 1 643 165 165 SER N N 117.592 0.025 1 644 166 166 GLY H H 8.349 0.001 1 645 166 166 GLY C C 173.908 0.01 1 646 166 166 GLY CA C 45.338 0.01 1 647 166 166 GLY N N 110.831 0.038 1 648 167 167 ALA H H 8.140 0.004 1 649 167 167 ALA C C 178.140 0.004 1 650 167 167 ALA CA C 52.714 0.035 1 651 167 167 ALA N N 123.740 0.025 1 652 168 168 GLY H H 8.323 0.001 1 653 168 168 GLY C C 173.688 0.005 1 654 168 168 GLY CA C 45.165 0.02 1 655 168 168 GLY N N 107.851 0.021 1 656 169 169 TYR H H 8.034 0.001 1 657 169 169 TYR C C 176.057 0.007 1 658 169 169 TYR CA C 58.177 . 1 659 169 169 TYR N N 120.700 0.116 1 660 170 170 THR H H 8.088 0.003 1 661 170 170 THR C C 174.141 0.008 1 662 170 170 THR CA C 61.349 0.002 1 663 170 170 THR N N 117.210 0.019 1 664 171 171 GLY H H 7.279 0.001 1 665 171 171 GLY C C 171.481 . 1 666 171 171 GLY CA C 44.631 . 1 667 171 171 GLY N N 110.394 0.022 1 668 172 172 PRO C C 177.305 . 1 669 172 172 PRO CA C 63.435 . 1 670 173 173 SER H H 8.417 0.001 1 671 173 173 SER C C 174.496 0.013 1 672 173 173 SER CA C 58.331 0.051 1 673 173 173 SER N N 115.961 0.021 1 674 174 174 GLY H H 8.132 0.001 1 675 174 174 GLY C C 171.689 . 1 676 174 174 GLY CA C 44.656 . 1 677 174 174 GLY N N 110.454 0.028 1 678 175 175 PRO C C 177.246 . 1 679 175 175 PRO CA C 63.308 . 1 680 176 176 SER H H 8.460 0.001 1 681 176 176 SER C C 174.847 0.002 1 682 176 176 SER CA C 58.409 0.012 1 683 176 176 SER N N 116.052 0.026 1 684 177 177 THR H H 8.085 0.002 1 685 177 177 THR C C 174.680 0.004 1 686 177 177 THR CA C 61.681 0.005 1 687 177 177 THR N N 114.848 0.075 1 688 178 178 GLY H H 8.164 0.001 1 689 178 178 GLY C C 171.908 . 1 690 178 178 GLY CA C 44.657 . 1 691 178 178 GLY N N 110.812 0.019 1 692 179 179 PRO C C 177.314 . 1 693 179 179 PRO CA C 63.502 . 1 694 180 180 SER H H 8.398 0.002 1 695 180 180 SER C C 174.889 0.014 1 696 180 180 SER CA C 58.566 0.0 1 697 180 180 SER N N 115.708 0.028 1 698 181 181 GLY H H 8.273 0.006 1 699 181 181 GLY C C 172.637 . 1 700 181 181 GLY CA C 45.197 0.003 1 701 181 181 GLY N N 110.364 0.058 1 702 182 182 TYR H H 7.981 0.001 1 703 182 182 TYR C C 174.478 . 1 704 182 182 TYR CA C 55.836 . 1 705 182 182 TYR N N 121.172 0.05 1 706 183 183 PRO C C 176.792 . 1 707 183 183 PRO CA C 63.382 . 1 708 184 184 GLY H H 7.516 0.001 1 709 184 184 GLY C C 171.751 . 1 710 184 184 GLY CA C 44.568 . 1 711 184 184 GLY N N 108.201 0.025 1 712 185 185 PRO C C 177.432 . 1 713 185 185 PRO CA C 63.363 . 1 714 186 186 LEU H H 8.373 0.011 1 715 186 186 LEU C C 178.113 0.008 1 716 186 186 LEU CA C 55.401 0.007 1 717 186 186 LEU N N 121.806 0.055 1 718 187 187 GLY H H 8.308 0.001 1 719 187 187 GLY C C 174.736 0.024 1 720 187 187 GLY CA C 45.501 0.004 1 721 187 187 GLY N N 109.472 0.014 1 722 188 188 GLY H H 8.274 0.001 1 723 188 188 GLY C C 174.550 0.029 1 724 188 188 GLY CA C 45.382 0.062 1 725 188 188 GLY N N 108.685 0.035 1 726 189 189 GLY H H 8.206 0.007 1 727 189 189 GLY C C 173.348 0.006 1 728 189 189 GLY CA C 44.915 0.007 1 729 189 189 GLY N N 108.368 0.035 1 730 190 190 ALA H H 8.075 0.001 1 731 190 190 ALA C C 175.691 . 1 732 190 190 ALA CA C 50.552 . 1 733 190 190 ALA N N 124.542 0.034 1 734 191 191 PRO C C 176.596 . 1 735 191 191 PRO CA C 63.295 . 1 736 192 192 PHE H H 8.154 0.001 1 737 192 192 PHE C C 176.386 0.012 1 738 192 192 PHE CA C 57.911 0.015 1 739 192 192 PHE N N 119.583 0.038 1 740 193 193 GLY H H 8.186 0.001 1 741 193 193 GLY C C 174.061 0.006 1 742 193 193 GLY CA C 45.382 0.02 1 743 193 193 GLY N N 110.437 0.012 1 744 194 194 GLN H H 8.111 0.001 1 745 194 194 GLN C C 176.071 0.008 1 746 194 194 GLN CA C 55.853 . 1 747 194 194 GLN N N 119.676 0.062 1 748 195 195 SER H H 8.351 0.01 1 749 195 195 SER C C 174.863 0.018 1 750 195 195 SER CA C 58.641 . 1 751 195 195 SER N N 116.631 0.021 1 752 196 196 GLY H H 8.288 0.001 1 753 196 196 GLY C C 173.881 0.012 1 754 196 196 GLY CA C 45.264 0.002 1 755 196 196 GLY N N 110.268 0.016 1 756 197 197 PHE H H 8.136 0.003 1 757 197 197 PHE C C 176.409 0.029 1 758 197 197 PHE CA C 57.922 . 1 759 197 197 PHE N N 119.912 0.02 1 760 198 198 GLY H H 8.393 0.001 1 761 198 198 GLY C C 174.588 0.005 1 762 198 198 GLY CA C 45.430 0.022 1 763 198 198 GLY N N 110.647 0.021 1 764 199 199 GLY H H 7.964 0.001 1 765 199 199 GLY C C 174.286 . 1 766 199 199 GLY CA C 45.338 . 1 767 199 199 GLY N N 108.417 0.013 1 768 201 201 ALA C C 177.674 . 1 769 201 201 ALA CA C 52.428 . 1 770 202 202 GLY H H 8.046 0.0 1 771 202 202 GLY C C 171.941 . 1 772 202 202 GLY CA C 44.548 . 1 773 202 202 GLY N N 107.620 0.035 1 774 203 203 PRO C C 177.457 . 1 775 203 203 PRO CA C 63.459 . 1 776 204 204 GLN H H 8.533 0.001 1 777 204 204 GLN C C 176.564 0.004 1 778 204 204 GLN CA C 56.043 0.006 1 779 204 204 GLN N N 120.260 0.049 1 780 205 205 GLY H H 8.283 0.0 1 781 205 205 GLY C C 174.398 0.002 1 782 205 205 GLY CA C 45.382 0.011 1 783 205 205 GLY N N 109.484 0.047 1 784 206 206 GLY H H 8.098 0.001 1 785 206 206 GLY C C 173.999 0.007 1 786 206 206 GLY CA C 45.139 0.029 1 787 206 206 GLY N N 108.146 0.041 1 788 207 207 PHE H H 8.172 0.002 1 789 207 207 PHE C C 176.442 . 1 790 207 207 PHE CA C 58.150 0.006 1 791 207 207 PHE N N 119.724 0.027 1 792 208 208 GLY H H 8.368 0.001 1 793 208 208 GLY C C 173.931 0.007 1 794 208 208 GLY CA C 45.338 0.003 1 795 208 208 GLY N N 110.200 0.048 1 796 209 209 ALA H H 8.113 0.0 1 797 209 209 ALA C C 178.169 0.002 1 798 209 209 ALA CA C 52.695 0.01 1 799 209 209 ALA N N 123.685 0.049 1 800 210 210 THR H H 8.086 0.0 1 801 210 210 THR C C 175.261 . 1 802 210 210 THR CA C 61.981 0.042 1 803 210 210 THR N N 111.984 0.033 1 804 211 211 GLY H H 8.306 0.001 1 805 211 211 GLY C C 174.712 0.03 1 806 211 211 GLY CA C 45.370 0.023 1 807 211 211 GLY N N 110.721 0.079 1 808 212 212 GLY H H 8.196 0.002 1 809 212 212 GLY C C 174.525 . 1 810 212 212 GLY CA C 45.411 . 1 811 212 212 GLY N N 108.200 0.003 1 812 213 213 ALA H H 8.307 0.0 1 813 213 213 ALA C C 178.265 0.0 1 814 213 213 ALA CA C 53.084 0.029 1 815 213 213 ALA N N 123.919 0.061 1 816 214 214 SER H H 8.148 0.006 1 817 214 214 SER C C 174.806 . 1 818 214 214 SER CA C 58.819 0.019 1 819 214 214 SER N N 113.985 0.05 1 820 215 215 ALA H H 8.134 0.0 1 821 215 215 ALA C C 179.996 0.002 1 822 215 215 ALA CA C 55.054 0.006 1 823 215 215 ALA N N 124.702 0.065 1 824 216 216 GLY H H 8.371 0.002 1 825 216 216 GLY C C 176.105 0.009 1 826 216 216 GLY CA C 46.602 0.0 1 827 216 216 GLY N N 106.020 0.046 1 828 217 217 LEU H H 7.480 0.0 1 829 217 217 LEU C C 177.796 0.018 1 830 217 217 LEU CA C 57.672 0.007 1 831 217 217 LEU N N 122.869 0.054 1 832 218 218 ILE H H 7.492 0.001 1 833 218 218 ILE C C 180.368 0.002 1 834 218 218 ILE CA C 64.736 0.017 1 835 218 218 ILE N N 118.341 0.036 1 836 219 219 SER H H 8.070 0.001 1 837 219 219 SER C C 175.673 . 1 838 219 219 SER CA C 61.626 0.031 1 839 219 219 SER N N 115.501 0.005 1 840 220 220 ARG H H 7.838 0.001 1 841 220 220 ARG C C 178.819 0.003 1 842 220 220 ARG CA C 59.985 0.002 1 843 220 220 ARG N N 123.047 0.041 1 844 221 221 VAL H H 7.743 0.002 1 845 221 221 VAL C C 177.178 0.011 1 846 221 221 VAL CA C 66.806 0.006 1 847 221 221 VAL N N 118.326 0.057 1 848 222 222 ALA H H 8.295 0.002 1 849 222 222 ALA C C 179.167 0.011 1 850 222 222 ALA CA C 55.792 0.001 1 851 222 222 ALA N N 121.157 0.031 1 852 223 223 ASN H H 8.635 0.001 1 853 223 223 ASN C C 177.160 0.003 1 854 223 223 ASN CA C 55.956 0.012 1 855 223 223 ASN N N 116.163 0.039 1 856 224 224 ALA H H 7.529 0.001 1 857 224 224 ALA C C 179.720 0.011 1 858 224 224 ALA CA C 54.722 0.004 1 859 224 224 ALA N N 121.123 0.036 1 860 225 225 LEU H H 7.809 0.001 1 861 225 225 LEU C C 178.899 0.022 1 862 225 225 LEU CA C 56.910 0.01 1 863 225 225 LEU N N 115.031 0.089 1 864 226 226 ALA H H 8.815 0.0 1 865 226 226 ALA C C 176.841 0.001 1 866 226 226 ALA CA C 54.663 0.013 1 867 226 226 ALA N N 121.197 0.045 1 868 227 227 ASN H H 7.076 0.001 1 869 227 227 ASN C C 175.501 0.004 1 870 227 227 ASN CA C 52.643 0.003 1 871 227 227 ASN N N 112.994 0.034 1 872 228 228 THR H H 7.394 0.001 1 873 228 228 THR C C 174.312 . 1 874 228 228 THR CA C 60.793 0.007 1 875 228 228 THR N N 109.611 0.04 1 876 229 229 SER H H 9.887 0.003 1 877 229 229 SER C C 178.637 . 1 878 229 229 SER CA C 61.945 0.022 1 879 229 229 SER N N 122.635 0.072 1 880 230 230 THR H H 10.241 0.004 1 881 230 230 THR C C 175.473 . 1 882 230 230 THR CA C 68.313 0.049 1 883 230 230 THR N N 120.760 0.055 1 884 231 231 LEU H H 7.393 0.002 1 885 231 231 LEU C C 178.295 0.016 1 886 231 231 LEU CA C 59.769 0.003 1 887 231 231 LEU N N 118.672 0.071 1 888 232 232 ARG H H 7.609 0.001 1 889 232 232 ARG C C 177.711 0.012 1 890 232 232 ARG CA C 58.953 0.006 1 891 232 232 ARG N N 114.386 0.052 1 892 233 233 THR H H 7.778 0.002 1 893 233 233 THR C C 174.681 0.003 1 894 233 233 THR CA C 65.369 0.001 1 895 233 233 THR N N 111.272 0.021 1 896 234 234 VAL H H 7.384 0.003 1 897 234 234 VAL C C 175.014 0.007 1 898 234 234 VAL CA C 65.428 0.06 1 899 234 234 VAL N N 118.505 0.071 1 900 235 235 LEU H H 8.100 0.004 1 901 235 235 LEU C C 172.957 0.04 1 902 235 235 LEU CA C 52.077 . 1 903 235 235 LEU N N 119.541 0.111 1 904 236 236 ARG H H 6.267 0.001 1 905 236 236 ARG C C 174.572 0.033 1 906 236 236 ARG CA C 53.831 0.007 1 907 236 236 ARG N N 116.504 0.049 1 908 237 237 THR H H 8.301 0.0 1 909 237 237 THR C C 175.684 0.007 1 910 237 237 THR CA C 65.179 0.002 1 911 237 237 THR N N 117.157 0.045 1 912 238 238 GLY H H 8.919 0.001 1 913 238 238 GLY C C 174.870 0.007 1 914 238 238 GLY CA C 45.020 0.028 1 915 238 238 GLY N N 115.107 0.061 1 916 239 239 VAL H H 8.057 0.001 1 917 239 239 VAL C C 174.729 0.006 1 918 239 239 VAL CA C 62.123 0.013 1 919 239 239 VAL N N 122.721 0.047 1 920 240 240 SER H H 8.412 0.001 1 921 240 240 SER C C 175.172 0.008 1 922 240 240 SER CA C 57.882 0.004 1 923 240 240 SER N N 123.104 0.107 1 924 241 241 GLN H H 9.049 0.001 1 925 241 241 GLN C C 178.815 0.001 1 926 241 241 GLN CA C 59.423 0.006 1 927 241 241 GLN N N 123.784 0.053 1 928 242 242 GLN H H 8.564 0.001 1 929 242 242 GLN C C 178.839 0.014 1 930 242 242 GLN CA C 59.452 0.005 1 931 242 242 GLN N N 118.782 0.02 1 932 243 243 ILE H H 7.458 0.001 1 933 243 243 ILE C C 177.524 . 1 934 243 243 ILE CA C 63.509 0.013 1 935 243 243 ILE N N 121.276 0.031 1 936 244 244 ALA H H 8.517 0.002 1 937 244 244 ALA C C 179.263 0.006 1 938 244 244 ALA CA C 55.775 0.044 1 939 244 244 ALA N N 121.405 0.17 1 940 245 245 SER H H 8.307 0.002 1 941 245 245 SER C C 176.220 . 1 942 245 245 SER CA C 62.356 0.018 1 943 245 245 SER N N 110.206 0.059 1 944 246 246 SER H H 7.626 0.002 1 945 246 246 SER C C 176.671 0.011 1 946 246 246 SER CA C 62.367 0.002 1 947 246 246 SER N N 116.978 0.039 1 948 247 247 VAL H H 8.637 0.002 1 949 247 247 VAL C C 177.441 0.058 1 950 247 247 VAL CA C 66.870 0.013 1 951 247 247 VAL N N 120.624 0.075 1 952 248 248 VAL H H 8.171 0.001 1 953 248 248 VAL C C 177.004 . 1 954 248 248 VAL CA C 66.904 0.013 1 955 248 248 VAL N N 116.212 0.033 1 956 249 249 GLN H H 8.260 0.001 1 957 249 249 GLN C C 177.816 0.015 1 958 249 249 GLN CA C 60.306 0.026 1 959 249 249 GLN N N 119.744 0.034 1 960 250 250 ARG H H 8.003 0.004 1 961 250 250 ARG C C 179.697 0.004 1 962 250 250 ARG CA C 58.983 0.025 1 963 250 250 ARG N N 117.364 0.029 1 964 251 251 ALA H H 9.000 0.002 1 965 251 251 ALA C C 179.354 0.001 1 966 251 251 ALA CA C 55.468 0.007 1 967 251 251 ALA N N 122.114 0.057 1 968 252 252 ALA H H 8.558 0.002 1 969 252 252 ALA C C 178.901 0.034 1 970 252 252 ALA CA C 55.544 0.006 1 971 252 252 ALA N N 119.238 0.099 1 972 253 253 GLN H H 7.913 0.0 1 973 253 253 GLN C C 179.324 0.007 1 974 253 253 GLN CA C 59.335 0.001 1 975 253 253 GLN N N 116.153 0.052 1 976 254 254 SER H H 8.296 0.0 1 977 254 254 SER C C 176.867 . 1 978 254 254 SER CA C 61.754 0.022 1 979 254 254 SER N N 116.164 0.026 1 980 255 255 LEU H H 8.487 0.003 1 981 255 255 LEU C C 178.001 0.018 1 982 255 255 LEU CA C 58.384 0.01 1 983 255 255 LEU N N 123.203 0.079 1 984 256 256 ALA H H 8.184 0.0 1 985 256 256 ALA C C 179.586 0.004 1 986 256 256 ALA CA C 55.536 0.025 1 987 256 256 ALA N N 121.777 0.064 1 988 257 257 SER H H 7.988 0.001 1 989 257 257 SER C C 177.267 . 1 990 257 257 SER CA C 61.319 0.017 1 991 257 257 SER N N 112.878 0.042 1 992 258 258 THR H H 8.045 0.001 1 993 258 258 THR C C 175.716 0.005 1 994 258 258 THR CA C 65.923 0.013 1 995 258 258 THR N N 117.343 0.058 1 996 259 259 LEU H H 7.891 0.002 1 997 259 259 LEU C C 177.212 0.024 1 998 259 259 LEU CA C 55.044 0.007 1 999 259 259 LEU N N 118.125 0.081 1 1000 260 260 GLY H H 7.998 0.0 1 1001 260 260 GLY C C 175.057 0.01 1 1002 260 260 GLY CA C 46.595 0.007 1 1003 260 260 GLY N N 108.764 0.028 1 1004 261 261 VAL H H 7.559 0.004 1 1005 261 261 VAL C C 174.855 0.003 1 1006 261 261 VAL CA C 58.938 0.015 1 1007 261 261 VAL N N 111.748 0.044 1 1008 262 262 ASP H H 8.330 0.002 1 1009 262 262 ASP C C 177.907 0.005 1 1010 262 262 ASP CA C 54.908 0.006 1 1011 262 262 ASP N N 119.771 0.091 1 1012 263 263 GLY H H 8.857 0.001 1 1013 263 263 GLY C C 174.869 0.001 1 1014 263 263 GLY CA C 46.903 0.0 1 1015 263 263 GLY N N 115.829 0.049 1 1016 264 264 ASN H H 8.354 0.001 1 1017 264 264 ASN C C 177.884 0.014 1 1018 264 264 ASN CA C 56.561 0.008 1 1019 264 264 ASN N N 120.531 0.044 1 1020 265 265 ASN H H 8.427 0.0 1 1021 265 265 ASN C C 176.683 0.002 1 1022 265 265 ASN CA C 56.140 0.043 1 1023 265 265 ASN N N 119.377 0.039 1 1024 266 266 LEU H H 7.935 0.001 1 1025 266 266 LEU C C 177.854 0.005 1 1026 266 266 LEU CA C 58.629 0.013 1 1027 266 266 LEU N N 118.966 0.027 1 1028 267 267 ALA H H 8.518 0.004 1 1029 267 267 ALA C C 178.687 0.002 1 1030 267 267 ALA CA C 55.694 0.02 1 1031 267 267 ALA N N 118.911 0.039 1 1032 268 268 ARG H H 7.753 0.002 1 1033 268 268 ARG C C 179.423 0.002 1 1034 268 268 ARG CA C 59.896 0.048 1 1035 268 268 ARG N N 117.598 0.04 1 1036 269 269 PHE H H 8.031 0.002 1 1037 269 269 PHE C C 179.181 0.024 1 1038 269 269 PHE CA C 61.629 0.058 1 1039 269 269 PHE N N 116.843 0.044 1 1040 270 270 ALA H H 8.721 0.0 1 1041 270 270 ALA C C 178.285 0.005 1 1042 270 270 ALA CA C 55.841 0.013 1 1043 270 270 ALA N N 123.071 0.055 1 1044 271 271 VAL H H 8.730 0.003 1 1045 271 271 VAL C C 179.268 0.005 1 1046 271 271 VAL CA C 66.843 0.006 1 1047 271 271 VAL N N 117.755 0.03 1 1048 272 272 GLN H H 8.116 0.001 1 1049 272 272 GLN C C 178.562 0.012 1 1050 272 272 GLN CA C 59.366 0.014 1 1051 272 272 GLN N N 120.632 0.049 1 1052 273 273 ALA H H 7.852 0.001 1 1053 273 273 ALA C C 180.825 0.002 1 1054 273 273 ALA CA C 55.169 0.006 1 1055 273 273 ALA N N 119.970 0.056 1 1056 274 274 VAL H H 8.074 0.003 1 1057 274 274 VAL C C 178.369 0.02 1 1058 274 274 VAL CA C 65.181 0.001 1 1059 274 274 VAL N N 114.910 0.046 1 1060 275 275 SER H H 8.349 0.002 1 1061 275 275 SER C C 174.456 . 1 1062 275 275 SER CA C 61.355 0.01 1 1063 275 275 SER N N 117.054 0.04 1 1064 276 276 ARG H H 6.948 0.001 1 1065 276 276 ARG C C 176.467 0.001 1 1066 276 276 ARG CA C 55.756 0.012 1 1067 276 276 ARG N N 117.473 0.048 1 1068 277 277 LEU H H 7.312 0.001 1 1069 277 277 LEU C C 175.391 . 1 1070 277 277 LEU CA C 52.911 . 1 1071 277 277 LEU N N 121.647 0.041 1 1072 278 278 PRO C C 177.543 . 1 1073 278 278 PRO CA C 61.980 . 1 1074 279 279 ALA H H 8.745 0.0 1 1075 279 279 ALA C C 178.823 0.002 1 1076 279 279 ALA CA C 53.551 0.005 1 1077 279 279 ALA N N 125.896 0.049 1 1078 280 280 GLY H H 8.929 0.001 1 1079 280 280 GLY C C 175.024 0.003 1 1080 280 280 GLY CA C 45.624 0.011 1 1081 280 280 GLY N N 110.482 0.034 1 1082 281 281 SER H H 7.527 0.001 1 1083 281 281 SER C C 171.534 0.006 1 1084 281 281 SER CA C 61.469 0.004 1 1085 281 281 SER N N 116.980 0.037 1 1086 282 282 ASP H H 8.294 0.001 1 1087 282 282 ASP C C 176.651 0.003 1 1088 282 282 ASP CA C 52.083 0.001 1 1089 282 282 ASP N N 121.170 0.044 1 1090 283 283 THR H H 8.275 0.001 1 1091 283 283 THR C C 176.324 . 1 1092 283 283 THR CA C 67.309 0.017 1 1093 283 283 THR N N 114.990 0.03 1 1094 284 284 SER H H 8.605 0.001 1 1095 284 284 SER C C 175.922 . 1 1096 284 284 SER CA C 62.551 0.009 1 1097 284 284 SER N N 115.901 0.028 1 1098 285 285 ALA H H 7.801 0.001 1 1099 285 285 ALA C C 180.864 0.002 1 1100 285 285 ALA CA C 54.985 0.006 1 1101 285 285 ALA N N 125.856 0.054 1 1102 286 286 TYR H H 7.611 0.001 1 1103 286 286 TYR C C 178.237 0.002 1 1104 286 286 TYR CA C 62.953 0.009 1 1105 286 286 TYR N N 117.693 0.024 1 1106 287 287 ALA H H 8.831 0.001 1 1107 287 287 ALA C C 179.511 0.009 1 1108 287 287 ALA CA C 55.755 0.027 1 1109 287 287 ALA N N 121.743 0.053 1 1110 288 288 GLN H H 8.222 0.001 1 1111 288 288 GLN C C 177.860 0.003 1 1112 288 288 GLN CA C 59.365 0.01 1 1113 288 288 GLN N N 119.138 0.043 1 1114 289 289 ALA H H 7.947 0.001 1 1115 289 289 ALA C C 179.589 0.006 1 1116 289 289 ALA CA C 55.125 0.015 1 1117 289 289 ALA N N 122.894 0.093 1 1118 290 290 PHE H H 8.426 0.002 1 1119 290 290 PHE C C 178.393 0.01 1 1120 290 290 PHE CA C 60.375 0.009 1 1121 290 290 PHE N N 117.396 0.027 1 1122 291 291 SER H H 8.402 0.005 1 1123 291 291 SER C C 176.899 0.044 1 1124 291 291 SER CA C 61.847 0.003 1 1125 291 291 SER N N 111.517 0.057 1 1126 292 292 SER H H 8.715 0.001 1 1127 292 292 SER C C 176.472 . 1 1128 292 292 SER CA C 62.516 0.019 1 1129 292 292 SER N N 112.988 0.03 1 1130 293 293 ALA H H 7.913 0.002 1 1131 293 293 ALA C C 178.506 0.085 1 1132 293 293 ALA CA C 55.843 0.011 1 1133 293 293 ALA N N 123.692 0.03 1 1134 294 294 LEU H H 8.042 0.002 1 1135 294 294 LEU C C 179.286 0.042 1 1136 294 294 LEU CA C 58.420 0.001 1 1137 294 294 LEU N N 116.480 0.041 1 1138 295 295 PHE H H 7.760 0.002 1 1139 295 295 PHE C C 180.161 0.003 1 1140 295 295 PHE CA C 60.667 0.08 1 1141 295 295 PHE N N 117.277 0.021 1 1142 296 296 ASN H H 9.195 0.001 1 1143 296 296 ASN C C 176.586 0.008 1 1144 296 296 ASN CA C 56.057 0.021 1 1145 296 296 ASN N N 122.248 0.034 1 1146 297 297 ALA H H 8.092 0.002 1 1147 297 297 ALA C C 177.436 0.017 1 1148 297 297 ALA CA C 52.227 0.004 1 1149 297 297 ALA N N 117.284 0.048 1 1150 298 298 GLY H H 7.500 0.001 1 1151 298 298 GLY C C 174.207 0.011 1 1152 298 298 GLY CA C 45.519 0.006 1 1153 298 298 GLY N N 105.083 0.035 1 1154 299 299 VAL H H 7.627 0.002 1 1155 299 299 VAL C C 175.847 0.002 1 1156 299 299 VAL CA C 64.913 0.005 1 1157 299 299 VAL N N 118.976 0.041 1 1158 300 300 LEU H H 6.392 0.002 1 1159 300 300 LEU C C 174.444 0.002 1 1160 300 300 LEU CA C 51.481 0.011 1 1161 300 300 LEU N N 112.925 0.04 1 1162 301 301 ASN H H 8.670 0.001 1 1163 301 301 ASN C C 173.885 0.006 1 1164 301 301 ASN CA C 52.217 0.017 1 1165 301 301 ASN N N 114.578 0.054 1 1166 302 302 ALA H H 8.861 0.001 1 1167 302 302 ALA C C 178.919 0.011 1 1168 302 302 ALA CA C 55.154 0.022 1 1169 302 302 ALA N N 118.687 0.06 1 1170 303 303 SER H H 8.407 0.003 1 1171 303 303 SER C C 175.594 0.008 1 1172 303 303 SER CA C 60.041 0.017 1 1173 303 303 SER N N 111.425 0.033 1 1174 304 304 ASN H H 7.989 0.001 1 1175 304 304 ASN C C 178.765 0.01 1 1176 304 304 ASN CA C 51.994 0.015 1 1177 304 304 ASN N N 118.722 0.042 1 1178 305 305 ILE H H 7.673 0.0 1 1179 305 305 ILE C C 176.621 0.009 1 1180 305 305 ILE CA C 64.461 0.01 1 1181 305 305 ILE N N 121.444 0.063 1 1182 306 306 ASP H H 8.318 0.0 1 1183 306 306 ASP C C 177.186 0.008 1 1184 306 306 ASP CA C 56.770 0.012 1 1185 306 306 ASP N N 119.457 0.074 1 1186 307 307 THR H H 7.586 0.001 1 1187 307 307 THR C C 176.092 0.003 1 1188 307 307 THR CA C 63.172 0.008 1 1189 307 307 THR N N 110.532 0.025 1 1190 308 308 LEU H H 8.720 0.001 1 1191 308 308 LEU C C 177.872 0.016 1 1192 308 308 LEU CA C 54.643 0.008 1 1193 308 308 LEU N N 122.292 0.018 1 1194 309 309 GLY H H 7.936 0.001 1 1195 309 309 GLY C C 174.796 0.004 1 1196 309 309 GLY CA C 49.035 0.0 1 1197 309 309 GLY N N 107.555 0.04 1 1198 310 310 SER H H 8.803 0.001 1 1199 310 310 SER C C 176.741 0.031 1 1200 310 310 SER CA C 62.212 0.002 1 1201 310 310 SER N N 115.793 0.033 1 1202 311 311 ARG H H 7.758 0.002 1 1203 311 311 ARG C C 179.399 0.003 1 1204 311 311 ARG CA C 59.107 0.046 1 1205 311 311 ARG N N 123.785 0.04 1 1206 312 312 VAL H H 8.353 0.003 1 1207 312 312 VAL C C 177.077 0.024 1 1208 312 312 VAL CA C 66.685 0.015 1 1209 312 312 VAL N N 120.199 0.058 1 1210 313 313 LEU H H 8.522 0.002 1 1211 313 313 LEU C C 178.771 0.058 1 1212 313 313 LEU CA C 58.849 0.027 1 1213 313 313 LEU N N 119.208 0.095 1 1214 314 314 SER H H 8.110 0.002 1 1215 314 314 SER C C 176.459 . 1 1216 314 314 SER CA C 61.653 . 1 1217 314 314 SER N N 112.449 0.037 1 1218 315 315 ALA H H 7.881 0.001 1 1219 315 315 ALA C C 180.986 0.003 1 1220 315 315 ALA CA C 54.850 0.016 1 1221 315 315 ALA N N 122.704 0.037 1 1222 316 316 LEU H H 8.830 0.004 1 1223 316 316 LEU C C 178.486 0.005 1 1224 316 316 LEU CA C 59.046 0.015 1 1225 316 316 LEU N N 121.341 0.044 1 1226 317 317 LEU H H 8.579 0.001 1 1227 317 317 LEU C C 179.251 0.015 1 1228 317 317 LEU CA C 58.864 0.048 1 1229 317 317 LEU N N 120.749 0.098 1 1230 318 318 ASN H H 8.174 0.001 1 1231 318 318 ASN C C 177.953 0.003 1 1232 318 318 ASN CA C 56.927 0.011 1 1233 318 318 ASN N N 117.332 0.066 1 1234 319 319 GLY H H 8.203 0.006 1 1235 319 319 GLY C C 175.716 0.022 1 1236 319 319 GLY CA C 47.205 0.004 1 1237 319 319 GLY N N 109.288 0.039 1 1238 320 320 VAL H H 8.937 0.001 1 1239 320 320 VAL C C 176.702 . 1 1240 320 320 VAL CA C 67.092 0.007 1 1241 320 320 VAL N N 123.195 0.037 1 1242 321 321 SER H H 8.095 0.002 1 1243 321 321 SER C C 176.284 . 1 1244 321 321 SER CA C 61.864 0.047 1 1245 321 321 SER N N 113.706 0.03 1 1246 322 322 SER H H 7.945 0.002 1 1247 322 322 SER C C 177.650 . 1 1248 322 322 SER CA C 61.738 0.044 1 1249 322 322 SER N N 117.767 0.03 1 1250 323 323 ALA H H 8.197 0.001 1 1251 323 323 ALA C C 179.835 0.01 1 1252 323 323 ALA CA C 54.503 0.019 1 1253 323 323 ALA N N 124.530 0.041 1 1254 324 324 ALA H H 8.472 0.001 1 1255 324 324 ALA C C 179.604 0.019 1 1256 324 324 ALA CA C 55.402 0.01 1 1257 324 324 ALA N N 119.470 0.051 1 1258 325 325 GLN H H 8.158 0.001 1 1259 325 325 GLN C C 180.647 0.001 1 1260 325 325 GLN CA C 59.286 0.016 1 1261 325 325 GLN N N 118.411 0.047 1 1262 326 326 GLY H H 7.884 0.001 1 1263 326 326 GLY C C 174.812 0.001 1 1264 326 326 GLY CA C 46.562 0.004 1 1265 326 326 GLY N N 106.766 0.033 1 1266 327 327 LEU H H 7.484 0.001 1 1267 327 327 LEU C C 176.902 0.016 1 1268 327 327 LEU CA C 54.422 0.033 1 1269 327 327 LEU N N 120.076 0.039 1 1270 328 328 GLY H H 7.762 0.002 1 1271 328 328 GLY C C 174.105 0.001 1 1272 328 328 GLY CA C 45.911 0.0 1 1273 328 328 GLY N N 107.522 0.045 1 1274 329 329 ILE H H 7.943 0.003 1 1275 329 329 ILE C C 174.581 0.008 1 1276 329 329 ILE CA C 60.726 0.029 1 1277 329 329 ILE N N 122.371 0.046 1 1278 330 330 ASN H H 8.397 0.001 1 1279 330 330 ASN C C 174.508 0.005 1 1280 330 330 ASN CA C 53.794 0.008 1 1281 330 330 ASN N N 124.812 0.035 1 1282 331 331 VAL H H 7.949 0.001 1 1283 331 331 VAL C C 174.767 0.018 1 1284 331 331 VAL CA C 61.062 0.025 1 1285 331 331 VAL N N 122.778 0.074 1 1286 332 332 ASP H H 8.581 0.001 1 1287 332 332 ASP C C 177.196 0.003 1 1288 332 332 ASP CA C 54.161 0.009 1 1289 332 332 ASP N N 126.168 0.053 1 1290 333 333 SER H H 8.854 0.003 1 1291 333 333 SER C C 176.770 . 1 1292 333 333 SER CA C 61.282 0.009 1 1293 333 333 SER N N 121.840 0.053 1 1294 334 334 GLY H H 8.689 0.001 1 1295 334 334 GLY C C 176.426 0.002 1 1296 334 334 GLY CA C 46.588 0.008 1 1297 334 334 GLY N N 111.228 0.037 1 1298 335 335 SER H H 7.879 0.001 1 1299 335 335 SER C C 175.269 . 1 1300 335 335 SER CA C 61.086 0.002 1 1301 335 335 SER N N 118.372 0.053 1 1302 336 336 VAL H H 7.616 0.001 1 1303 336 336 VAL C C 177.846 0.013 1 1304 336 336 VAL CA C 66.557 0.004 1 1305 336 336 VAL N N 122.153 0.051 1 1306 337 337 GLN H H 7.980 0.003 1 1307 337 337 GLN C C 179.060 0.003 1 1308 337 337 GLN CA C 58.947 0.02 1 1309 337 337 GLN N N 117.651 0.07 1 1310 338 338 SER H H 8.044 0.001 1 1311 338 338 SER C C 179.069 . 1 1312 338 338 SER CA C 61.389 0.042 1 1313 338 338 SER N N 115.811 0.066 1 1314 339 339 ASP H H 8.480 0.002 1 1315 339 339 ASP C C 179.061 0.002 1 1316 339 339 ASP CA C 56.636 0.006 1 1317 339 339 ASP N N 123.438 0.084 1 1318 340 340 ILE H H 8.521 0.003 1 1319 340 340 ILE C C 178.361 0.099 1 1320 340 340 ILE CA C 65.668 0.007 1 1321 340 340 ILE N N 122.910 0.077 1 1322 341 341 SER H H 8.042 0.002 1 1323 341 341 SER C C 177.010 . 1 1324 341 341 SER CA C 61.462 0.02 1 1325 341 341 SER N N 116.481 0.023 1 1326 342 342 SER H H 8.612 0.001 1 1327 342 342 SER C C 176.937 . 1 1328 342 342 SER CA C 61.047 0.025 1 1329 342 342 SER N N 117.381 0.038 1 1330 343 343 SER H H 8.465 0.001 1 1331 343 343 SER C C 177.316 . 1 1332 343 343 SER CA C 61.900 0.049 1 1333 343 343 SER N N 119.264 0.052 1 1334 344 344 SER H H 8.390 0.001 1 1335 344 344 SER C C 176.621 . 1 1336 344 344 SER CA C 61.746 0.011 1 1337 344 344 SER N N 115.276 0.061 1 1338 345 345 SER H H 7.974 0.004 1 1339 345 345 SER C C 176.219 . 1 1340 345 345 SER CA C 60.783 0.024 1 1341 345 345 SER N N 117.596 0.051 1 1342 346 346 PHE H H 8.136 0.001 1 1343 346 346 PHE C C 177.430 0.017 1 1344 346 346 PHE CA C 60.310 0.043 1 1345 346 346 PHE N N 121.789 0.064 1 1346 347 347 LEU H H 8.013 0.001 1 1347 347 347 LEU C C 177.684 0.025 1 1348 347 347 LEU CA C 56.614 0.015 1 1349 347 347 LEU N N 119.239 0.053 1 1350 348 348 SER H H 7.870 0.0 1 1351 348 348 SER C C 175.584 0.018 1 1352 348 348 SER CA C 59.599 0.005 1 1353 348 348 SER N N 113.787 0.034 1 1354 349 349 THR H H 8.110 0.001 1 1355 349 349 THR C C 175.081 0.027 1 1356 349 349 THR CA C 62.844 0.021 1 1357 349 349 THR N N 115.003 0.06 1 1358 350 350 SER H H 8.091 0.002 1 1359 350 350 SER CA C 58.099 . 1 1360 350 350 SER N N 117.090 0.059 1 1361 352 352 SER C C 174.776 . 1 1362 352 352 SER CA C 58.651 0.004 1 1363 353 353 SER H H 8.211 0.002 1 1364 353 353 SER C C 174.471 0.007 1 1365 353 353 SER CA C 58.634 0.021 1 1366 353 353 SER N N 117.514 0.055 1 1367 354 354 ALA H H 8.182 0.0 1 1368 354 354 ALA C C 177.776 0.0 1 1369 354 354 ALA CA C 52.842 0.008 1 1370 354 354 ALA N N 125.768 0.06 1 1371 355 355 SER H H 8.079 0.001 1 1372 355 355 SER C C 174.342 0.01 1 1373 355 355 SER CA C 58.533 0.015 1 1374 355 355 SER N N 114.352 0.042 1 1375 356 356 TYR H H 7.998 0.0 1 1376 356 356 TYR C C 175.856 0.029 1 1377 356 356 TYR CA C 58.059 . 1 1378 356 356 TYR N N 121.756 0.052 1 1379 358 358 GLN H H 8.256 0.001 1 1380 358 358 GLN C C 175.859 0.005 1 1381 358 358 GLN CA C 56.079 0.012 1 1382 358 358 GLN N N 122.321 0.039 1 1383 359 359 ALA H H 8.234 0.0 1 1384 359 359 ALA C C 177.885 0.002 1 1385 359 359 ALA CA C 52.857 0.006 1 1386 359 359 ALA N N 124.823 0.043 1 1387 360 360 SER H H 8.166 0.001 1 1388 360 360 SER C C 174.515 0.003 1 1389 360 360 SER CA C 58.357 0.012 1 1390 360 360 SER N N 114.696 0.059 1 1391 361 361 ALA H H 8.252 0.0 1 1392 361 361 ALA C C 177.819 0.001 1 1393 361 361 ALA CA C 52.803 0.003 1 1394 361 361 ALA N N 125.858 0.056 1 1395 362 362 SER H H 8.200 0.0 1 1396 362 362 SER C C 174.806 0.014 1 1397 362 362 SER CA C 58.456 0.029 1 1398 362 362 SER N N 114.373 0.041 1 1399 363 363 SER H H 8.273 0.001 1 1400 363 363 SER C C 174.948 0.04 1 1401 363 363 SER CA C 58.581 0.011 1 1402 363 363 SER N N 117.538 0.037 1 1403 364 364 THR H H 8.138 0.002 1 1404 364 364 THR C C 174.730 0.003 1 1405 364 364 THR CA C 61.885 0.009 1 1406 364 364 THR N N 114.961 0.068 1 1407 365 365 SER H H 8.188 0.001 1 1408 365 365 SER C C 174.893 0.063 1 1409 365 365 SER CA C 58.625 0.011 1 1410 365 365 SER N N 117.542 0.048 1 1411 366 366 GLY H H 8.339 0.002 1 1412 366 366 GLY C C 173.905 0.001 1 1413 366 366 GLY CA C 45.329 0.008 1 1414 366 366 GLY N N 110.811 0.026 1 1415 367 367 ALA H H 8.141 0.0 1 1416 367 367 ALA C C 178.127 0.001 1 1417 367 367 ALA CA C 52.679 0.008 1 1418 367 367 ALA N N 123.640 0.051 1 1419 368 368 GLY H H 8.314 0.001 1 1420 368 368 GLY C C 173.682 0.001 1 1421 368 368 GLY CA C 45.164 0.027 1 1422 368 368 GLY N N 107.815 0.046 1 1423 369 369 TYR H H 8.025 0.0 1 1424 369 369 TYR C C 176.057 0.005 1 1425 369 369 TYR CA C 58.118 0.049 1 1426 369 369 TYR N N 120.614 0.037 1 1427 370 370 THR H H 8.079 0.005 1 1428 370 370 THR C C 174.134 0.003 1 1429 370 370 THR CA C 61.328 0.003 1 1430 370 370 THR N N 117.153 0.052 1 1431 371 371 GLY H H 7.270 0.0 1 1432 371 371 GLY C C 171.482 . 1 1433 371 371 GLY CA C 44.621 . 1 1434 371 371 GLY N N 110.377 0.039 1 1435 372 372 PRO C C 177.299 . 1 1436 372 372 PRO CA C 63.428 . 1 1437 373 373 SER H H 8.408 0.0 1 1438 373 373 SER C C 174.495 0.001 1 1439 373 373 SER CA C 58.323 0.051 1 1440 373 373 SER N N 115.932 0.033 1 1441 374 374 GLY H H 8.122 0.001 1 1442 374 374 GLY C C 171.683 . 1 1443 374 374 GLY CA C 44.637 . 1 1444 374 374 GLY N N 110.433 0.039 1 1445 375 375 PRO C C 177.239 . 1 1446 375 375 PRO CA C 63.294 . 1 1447 376 376 SER H H 8.452 0.001 1 1448 376 376 SER C C 174.837 0.003 1 1449 376 376 SER CA C 58.402 0.006 1 1450 376 376 SER N N 116.024 0.049 1 1451 377 377 THR H H 8.079 0.002 1 1452 377 377 THR C C 174.668 0.001 1 1453 377 377 THR CA C 61.665 0.003 1 1454 377 377 THR N N 114.777 0.022 1 1455 378 378 GLY H H 8.156 0.0 1 1456 378 378 GLY C C 171.904 . 1 1457 378 378 GLY CA C 44.646 . 1 1458 378 378 GLY N N 110.796 0.037 1 1459 379 379 PRO C C 177.320 . 1 1460 379 379 PRO CA C 63.468 . 1 1461 380 380 SER H H 8.394 0.001 1 1462 380 380 SER C C 174.943 0.031 1 1463 380 380 SER CA C 58.573 0.01 1 1464 380 380 SER N N 115.750 0.083 1 1465 381 381 GLY H H 8.271 0.001 1 1466 381 381 GLY C C 172.638 0.003 1 1467 381 381 GLY CA C 45.152 0.023 1 1468 381 381 GLY N N 110.433 0.039 1 1469 382 382 TYR H H 7.972 0.001 1 1470 382 382 TYR C C 174.478 . 1 1471 382 382 TYR CA C 55.837 . 1 1472 382 382 TYR N N 121.109 0.053 1 1473 383 383 PRO C C 176.795 . 1 1474 383 383 PRO CA C 63.374 . 1 1475 384 384 GLY H H 7.512 0.001 1 1476 384 384 GLY C C 171.744 . 1 1477 384 384 GLY CA C 44.561 . 1 1478 384 384 GLY N N 108.234 0.033 1 1479 385 385 PRO C C 177.433 . 1 1480 385 385 PRO CA C 63.334 0.014 1 1481 386 386 LEU H H 8.373 0.001 1 1482 386 386 LEU C C 178.126 0.007 1 1483 386 386 LEU CA C 55.398 0.008 1 1484 386 386 LEU N N 121.817 0.06 1 1485 387 387 GLY H H 8.307 0.002 1 1486 387 387 GLY C C 174.724 0.017 1 1487 387 387 GLY CA C 45.437 0.072 1 1488 387 387 GLY N N 109.500 0.074 1 1489 388 388 GLY H H 8.262 0.001 1 1490 388 388 GLY C C 174.607 0.026 1 1491 388 388 GLY CA C 45.411 0.04 1 1492 388 388 GLY N N 108.654 0.061 1 1493 389 389 GLY H H 8.205 0.005 1 1494 389 389 GLY C C 173.351 0.004 1 1495 389 389 GLY CA C 44.928 0.032 1 1496 389 389 GLY N N 108.417 0.035 1 1497 390 390 ALA H H 8.071 0.0 1 1498 390 390 ALA C C 175.691 . 1 1499 390 390 ALA CA C 50.539 . 1 1500 390 390 ALA N N 124.588 0.042 1 1501 391 391 PRO C C 176.573 . 1 1502 391 391 PRO CA C 63.258 . 1 1503 392 392 PHE H H 8.150 0.003 1 1504 392 392 PHE C C 176.374 . 1 1505 392 392 PHE CA C 57.910 0.019 1 1506 392 392 PHE N N 119.671 0.055 1 1507 393 393 GLY H H 8.188 0.0 1 1508 393 393 GLY C C 174.040 0.004 1 1509 393 393 GLY CA C 45.338 0.028 1 1510 393 393 GLY N N 110.603 0.048 1 1511 394 394 GLN H H 8.107 0.002 1 1512 394 394 GLN C C 176.084 0.0 1 1513 394 394 GLN CA C 55.805 0.012 1 1514 394 394 GLN N N 119.714 0.054 1 1515 395 395 SER H H 8.384 0.001 1 1516 395 395 SER C C 174.857 0.006 1 1517 395 395 SER CA C 58.644 0.008 1 1518 395 395 SER N N 116.835 0.057 1 1519 396 396 GLY H H 8.306 0.0 1 1520 396 396 GLY C C 173.821 0.005 1 1521 396 396 GLY CA C 45.285 0.052 1 1522 396 396 GLY N N 110.440 0.088 1 1523 397 397 PHE H H 8.126 0.004 1 1524 397 397 PHE C C 176.160 0.008 1 1525 397 397 PHE CA C 57.923 0.006 1 1526 397 397 PHE N N 119.966 0.085 1 1527 398 398 GLY H H 8.349 0.001 1 1528 398 398 GLY C C 173.482 0.002 1 1529 398 398 GLY CA C 45.329 . 1 1530 398 398 GLY N N 111.617 0.039 1 1531 399 399 GLY H H 7.474 0.001 1 1532 399 399 GLY C C 169.317 . 1 1533 399 399 GLY CA C 45.948 . 1 1534 399 399 GLY N N 114.620 0.058 1 stop_ save_