data_27091 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for EarP ; _BMRB_accession_number 27091 _BMRB_flat_file_name bmr27091.str _Entry_type original _Submission_date 2017-05-03 _Accession_date 2017-05-03 _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 Macosek Jakub . . 2 Hennig Janosch . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 236 "13C chemical shifts" 188 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-10-03 original BMRB . stop_ _Original_release_date 2017-05-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for EarP-Mediated Arginine Glycosylation of Translation Elongation Factor EF-P ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28951478 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krafczyk Ralph . . 2 Macosek Jakub . . 3 Jagtap 'Pravin Kumar Ankush' . . 4 Gast Daniel . . 5 Wunder Swetlana . . 6 Mitra Prithiba . . 7 Jha 'Amit Kumar' K. . 8 Rohr Jurgen . . 9 Hoffmann-Roder Anja . . 10 Jung Kirsten . . 11 Hennig Janosch . . 12 Lassak Jurgen . . stop_ _Journal_abbreviation MBio _Journal_name_full mBio _Journal_volume 8 _Journal_issue 5 _Journal_ISSN 2150-7511 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e01412 _Page_last e01417 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EarP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EarP $EarP stop_ _System_molecular_weight 43116.85 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EarP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EarP _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function glycosyl-transferase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 385 _Mol_residue_sequence ; MKATWDIFCSVVDNYGDIGV TWRLARQLVAEHGLAVRLWV DDLNAFTPMCPGADATAAQQ WQHGVDVRHWPAAWLPVAPA DVVIGAFACQLPAAYVEAMR ARPQPPLWLNLEYLSAEDWV EGCHGLPSPQPNGLRKVFFF PGFTDKTGGLLREGSLLARR DGFQQSAEARRAFLQGLGVD LVPGALLISLFAYENPQLGN WLDALATADQPCHLLVPQGR VVAGLSQWLGEGPLHVGDVR TRGALTVQVLPFVSQDDFDR LLWSCDFNAVRGEDSFVRAQ WAGQPMLWHIYVQDENAHWE KLEAFLAHYRCGLSDDADAA LLGLWRAWNMDFDMGQAWRA ARQHWPELQQHARLWGARQA AQPDLATALVHFYRNSLGSH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ALA 4 THR 5 TRP 6 ASP 7 ILE 8 PHE 9 CYS 10 SER 11 VAL 12 VAL 13 ASP 14 ASN 15 TYR 16 GLY 17 ASP 18 ILE 19 GLY 20 VAL 21 THR 22 TRP 23 ARG 24 LEU 25 ALA 26 ARG 27 GLN 28 LEU 29 VAL 30 ALA 31 GLU 32 HIS 33 GLY 34 LEU 35 ALA 36 VAL 37 ARG 38 LEU 39 TRP 40 VAL 41 ASP 42 ASP 43 LEU 44 ASN 45 ALA 46 PHE 47 THR 48 PRO 49 MET 50 CYS 51 PRO 52 GLY 53 ALA 54 ASP 55 ALA 56 THR 57 ALA 58 ALA 59 GLN 60 GLN 61 TRP 62 GLN 63 HIS 64 GLY 65 VAL 66 ASP 67 VAL 68 ARG 69 HIS 70 TRP 71 PRO 72 ALA 73 ALA 74 TRP 75 LEU 76 PRO 77 VAL 78 ALA 79 PRO 80 ALA 81 ASP 82 VAL 83 VAL 84 ILE 85 GLY 86 ALA 87 PHE 88 ALA 89 CYS 90 GLN 91 LEU 92 PRO 93 ALA 94 ALA 95 TYR 96 VAL 97 GLU 98 ALA 99 MET 100 ARG 101 ALA 102 ARG 103 PRO 104 GLN 105 PRO 106 PRO 107 LEU 108 TRP 109 LEU 110 ASN 111 LEU 112 GLU 113 TYR 114 LEU 115 SER 116 ALA 117 GLU 118 ASP 119 TRP 120 VAL 121 GLU 122 GLY 123 CYS 124 HIS 125 GLY 126 LEU 127 PRO 128 SER 129 PRO 130 GLN 131 PRO 132 ASN 133 GLY 134 LEU 135 ARG 136 LYS 137 VAL 138 PHE 139 PHE 140 PHE 141 PRO 142 GLY 143 PHE 144 THR 145 ASP 146 LYS 147 THR 148 GLY 149 GLY 150 LEU 151 LEU 152 ARG 153 GLU 154 GLY 155 SER 156 LEU 157 LEU 158 ALA 159 ARG 160 ARG 161 ASP 162 GLY 163 PHE 164 GLN 165 GLN 166 SER 167 ALA 168 GLU 169 ALA 170 ARG 171 ARG 172 ALA 173 PHE 174 LEU 175 GLN 176 GLY 177 LEU 178 GLY 179 VAL 180 ASP 181 LEU 182 VAL 183 PRO 184 GLY 185 ALA 186 LEU 187 LEU 188 ILE 189 SER 190 LEU 191 PHE 192 ALA 193 TYR 194 GLU 195 ASN 196 PRO 197 GLN 198 LEU 199 GLY 200 ASN 201 TRP 202 LEU 203 ASP 204 ALA 205 LEU 206 ALA 207 THR 208 ALA 209 ASP 210 GLN 211 PRO 212 CYS 213 HIS 214 LEU 215 LEU 216 VAL 217 PRO 218 GLN 219 GLY 220 ARG 221 VAL 222 VAL 223 ALA 224 GLY 225 LEU 226 SER 227 GLN 228 TRP 229 LEU 230 GLY 231 GLU 232 GLY 233 PRO 234 LEU 235 HIS 236 VAL 237 GLY 238 ASP 239 VAL 240 ARG 241 THR 242 ARG 243 GLY 244 ALA 245 LEU 246 THR 247 VAL 248 GLN 249 VAL 250 LEU 251 PRO 252 PHE 253 VAL 254 SER 255 GLN 256 ASP 257 ASP 258 PHE 259 ASP 260 ARG 261 LEU 262 LEU 263 TRP 264 SER 265 CYS 266 ASP 267 PHE 268 ASN 269 ALA 270 VAL 271 ARG 272 GLY 273 GLU 274 ASP 275 SER 276 PHE 277 VAL 278 ARG 279 ALA 280 GLN 281 TRP 282 ALA 283 GLY 284 GLN 285 PRO 286 MET 287 LEU 288 TRP 289 HIS 290 ILE 291 TYR 292 VAL 293 GLN 294 ASP 295 GLU 296 ASN 297 ALA 298 HIS 299 TRP 300 GLU 301 LYS 302 LEU 303 GLU 304 ALA 305 PHE 306 LEU 307 ALA 308 HIS 309 TYR 310 ARG 311 CYS 312 GLY 313 LEU 314 SER 315 ASP 316 ASP 317 ALA 318 ASP 319 ALA 320 ALA 321 LEU 322 LEU 323 GLY 324 LEU 325 TRP 326 ARG 327 ALA 328 TRP 329 ASN 330 MET 331 ASP 332 PHE 333 ASP 334 MET 335 GLY 336 GLN 337 ALA 338 TRP 339 ARG 340 ALA 341 ALA 342 ARG 343 GLN 344 HIS 345 TRP 346 PRO 347 GLU 348 LEU 349 GLN 350 GLN 351 HIS 352 ALA 353 ARG 354 LEU 355 TRP 356 GLY 357 ALA 358 ARG 359 GLN 360 ALA 361 ALA 362 GLN 363 PRO 364 ASP 365 LEU 366 ALA 367 THR 368 ALA 369 LEU 370 VAL 371 HIS 372 PHE 373 TYR 374 ARG 375 ASN 376 SER 377 LEU 378 GLY 379 SER 380 HIS 381 HIS 382 HIS 383 HIS 384 HIS 385 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q88LS1 'EF-P arginine 32 rhamnosyl-transferase' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EarP 'Pseudomonas putida' 303 Bacteria . Pseudomonas putida 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 $EarP 'recombinant technology' . Escherichia coli . pBAD33 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EarP 0.375 mM 0.15 0.6 '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium phosphate' 0.1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _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 $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.6 . 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 water C 13 protons ppm 0.00 na indirect . . . 0.251449530 water H 1 protons ppm 0.00 internal direct . . . 1.000000000 water N 15 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 CBCA(CO)NH' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name EarP _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 MET CA C 62.699 0.000 . 2 1 1 MET CB C 31.211 0.000 . 3 2 2 LYS H H 8.300 0.001 . 4 2 2 LYS CA C 55.562 0.001 . 5 2 2 LYS CB C 32.287 0.122 . 6 2 2 LYS N N 122.435 0.011 . 7 3 3 ALA H H 8.079 0.001 . 8 3 3 ALA CA C 51.564 0.002 . 9 3 3 ALA CB C 19.238 0.038 . 10 3 3 ALA N N 125.845 0.014 . 11 4 4 THR H H 8.927 0.001 . 12 4 4 THR CA C 60.222 0.000 . 13 4 4 THR CB C 69.993 0.000 . 14 4 4 THR N N 114.490 0.017 . 15 6 6 ASP H H 9.446 0.002 . 16 6 6 ASP N N 123.441 0.015 . 17 7 7 ILE H H 7.339 0.002 . 18 7 7 ILE N N 116.223 0.028 . 19 14 14 ASN H H 8.149 0.000 . 20 14 14 ASN N N 123.142 0.020 . 21 15 15 TYR H H 7.666 0.003 . 22 15 15 TYR N N 126.555 0.013 . 23 16 16 GLY H H 7.421 0.006 . 24 16 16 GLY N N 103.885 0.064 . 25 17 17 ASP H H 6.909 0.001 . 26 17 17 ASP N N 118.850 0.058 . 27 19 19 GLY H H 7.597 0.002 . 28 19 19 GLY N N 105.250 0.029 . 29 22 22 TRP H H 7.587 0.002 . 30 22 22 TRP N N 126.522 0.004 . 31 23 23 ARG H H 7.768 0.001 . 32 23 23 ARG N N 119.053 0.017 . 33 24 24 LEU H H 8.014 0.000 . 34 24 24 LEU N N 118.639 0.000 . 35 25 25 ALA H H 7.532 0.001 . 36 25 25 ALA N N 119.392 0.011 . 37 26 26 ARG H H 7.241 0.002 . 38 26 26 ARG N N 119.254 0.023 . 39 29 29 VAL H H 6.937 0.000 . 40 29 29 VAL N N 117.353 0.000 . 41 30 30 ALA H H 8.218 0.001 . 42 30 30 ALA N N 120.773 0.011 . 43 31 31 GLU H H 8.670 0.002 . 44 31 31 GLU N N 112.456 0.015 . 45 32 32 HIS H H 8.500 0.004 . 46 32 32 HIS N N 120.635 0.021 . 47 35 35 ALA H H 7.941 0.000 . 48 35 35 ALA N N 124.434 0.000 . 49 36 36 VAL H H 7.973 0.002 . 50 36 36 VAL N N 124.486 0.024 . 51 37 37 ARG H H 9.111 0.000 . 52 37 37 ARG N N 126.743 0.000 . 53 38 38 LEU H H 7.919 0.002 . 54 38 38 LEU N N 121.814 0.017 . 55 41 41 ASP H H 8.329 0.003 . 56 41 41 ASP N N 127.105 0.029 . 57 42 42 ASP H H 6.934 0.004 . 58 42 42 ASP N N 118.632 0.054 . 59 43 43 LEU H H 9.177 0.002 . 60 43 43 LEU N N 124.582 0.013 . 61 45 45 ALA H H 8.566 0.000 . 62 45 45 ALA N N 131.480 0.000 . 63 46 46 PHE H H 7.292 0.002 . 64 46 46 PHE N N 117.027 0.004 . 65 47 47 THR H H 7.497 0.002 . 66 47 47 THR N N 111.574 0.081 . 67 53 53 ALA H H 8.281 0.001 . 68 53 53 ALA CA C 52.044 0.000 . 69 53 53 ALA CB C 18.913 0.000 . 70 53 53 ALA N N 129.253 0.016 . 71 54 54 ASP H H 8.721 0.002 . 72 54 54 ASP CA C 51.962 0.063 . 73 54 54 ASP CB C 42.335 0.003 . 74 54 54 ASP N N 121.031 0.029 . 75 55 55 ALA H H 8.902 0.002 . 76 55 55 ALA CA C 53.104 0.034 . 77 55 55 ALA CB C 17.538 0.055 . 78 55 55 ALA N N 128.309 0.043 . 79 56 56 THR H H 8.553 0.002 . 80 56 56 THR CA C 60.555 0.008 . 81 56 56 THR CB C 69.618 0.093 . 82 56 56 THR N N 107.571 0.043 . 83 57 57 ALA H H 6.647 0.003 . 84 57 57 ALA CA C 51.231 0.000 . 85 57 57 ALA CB C 18.151 0.000 . 86 57 57 ALA N N 126.088 0.038 . 87 62 62 GLN H H 7.945 0.002 . 88 62 62 GLN CA C 58.534 0.020 . 89 62 62 GLN CB C 28.875 0.037 . 90 62 62 GLN N N 119.239 0.024 . 91 63 63 HIS H H 7.977 0.001 . 92 63 63 HIS CA C 57.061 0.011 . 93 63 63 HIS CB C 27.714 0.000 . 94 63 63 HIS N N 117.884 0.031 . 95 64 64 GLY H H 8.777 0.002 . 96 64 64 GLY CA C 45.011 0.011 . 97 64 64 GLY N N 103.372 0.038 . 98 65 65 VAL H H 8.580 0.001 . 99 65 65 VAL CA C 61.934 0.007 . 100 65 65 VAL CB C 31.976 0.043 . 101 65 65 VAL N N 124.539 0.014 . 102 66 66 ASP H H 7.437 0.001 . 103 66 66 ASP CA C 52.206 0.016 . 104 66 66 ASP CB C 38.824 0.069 . 105 66 66 ASP N N 127.269 0.020 . 106 67 67 VAL H H 8.428 0.001 . 107 67 67 VAL CA C 62.440 0.011 . 108 67 67 VAL CB C 30.129 0.080 . 109 67 67 VAL N N 126.472 0.039 . 110 68 68 ARG H H 9.144 0.002 . 111 68 68 ARG CA C 51.715 0.036 . 112 68 68 ARG CB C 32.904 0.022 . 113 68 68 ARG N N 128.689 0.043 . 114 69 69 HIS H H 7.603 0.002 . 115 69 69 HIS CA C 55.552 0.000 . 116 69 69 HIS CB C 32.015 0.000 . 117 69 69 HIS N N 120.375 0.014 . 118 70 70 TRP H H 8.009 0.002 . 119 70 70 TRP N N 132.623 0.023 . 120 71 71 PRO CA C 61.447 0.004 . 121 71 71 PRO CB C 31.459 0.026 . 122 72 72 ALA H H 8.211 0.001 . 123 72 72 ALA CA C 54.039 0.004 . 124 72 72 ALA CB C 17.725 0.054 . 125 72 72 ALA N N 123.224 0.051 . 126 73 73 ALA H H 7.728 0.001 . 127 73 73 ALA CA C 49.755 0.000 . 128 73 73 ALA CB C 16.646 0.000 . 129 73 73 ALA N N 120.339 0.020 . 130 74 74 TRP H H 8.132 0.003 . 131 74 74 TRP N N 124.155 0.032 . 132 75 75 LEU H H 6.295 0.001 . 133 75 75 LEU N N 130.127 0.024 . 134 77 77 VAL H H 8.492 0.001 . 135 77 77 VAL N N 122.286 0.015 . 136 78 78 ALA H H 8.236 0.001 . 137 78 78 ALA N N 126.456 0.049 . 138 80 80 ALA H H 6.949 0.000 . 139 80 80 ALA N N 124.506 0.000 . 140 81 81 ASP H H 7.835 0.001 . 141 81 81 ASP N N 116.252 0.024 . 142 82 82 VAL CA C 60.642 0.066 . 143 82 82 VAL CB C 33.351 0.051 . 144 82 82 VAL N N 120.789 0.028 . 145 83 83 VAL H H 9.053 0.001 . 146 83 83 VAL CA C 59.787 0.000 . 147 83 83 VAL CB C 33.808 0.000 . 148 83 83 VAL N N 127.058 0.015 . 149 84 84 ILE H H 9.413 0.002 . 150 84 84 ILE CA C 58.667 0.040 . 151 84 84 ILE CB C 38.693 0.094 . 152 84 84 ILE N N 126.045 0.013 . 153 85 85 GLY H H 8.951 0.004 . 154 85 85 GLY CA C 44.395 0.052 . 155 85 85 GLY N N 114.680 0.058 . 156 86 86 ALA H H 7.964 0.001 . 157 86 86 ALA CA C 51.797 0.054 . 158 86 86 ALA CB C 18.772 0.117 . 159 86 86 ALA N N 122.928 0.014 . 160 92 92 PRO CA C 63.587 0.000 . 161 93 93 ALA H H 8.393 0.003 . 162 93 93 ALA CA C 53.981 0.013 . 163 93 93 ALA N N 116.713 0.021 . 164 94 94 ALA H H 7.489 0.005 . 165 94 94 ALA CA C 53.957 0.030 . 166 94 94 ALA CB C 17.922 0.030 . 167 94 94 ALA N N 121.853 0.022 . 168 95 95 TYR H H 6.598 0.003 . 169 95 95 TYR CA C 59.949 0.002 . 170 95 95 TYR CB C 38.066 0.123 . 171 95 95 TYR N N 121.210 0.056 . 172 96 96 VAL H H 7.361 0.002 . 173 96 96 VAL CA C 65.185 0.014 . 174 96 96 VAL CB C 30.386 0.071 . 175 96 96 VAL N N 120.822 0.017 . 176 97 97 GLU H H 7.690 0.002 . 177 97 97 GLU CA C 58.560 0.004 . 178 97 97 GLU CB C 28.055 0.057 . 179 97 97 GLU N N 118.708 0.020 . 180 98 98 ALA H H 7.268 0.002 . 181 98 98 ALA CA C 54.138 0.017 . 182 98 98 ALA CB C 16.547 0.000 . 183 98 98 ALA N N 122.511 0.031 . 184 99 99 MET H H 8.023 0.001 . 185 99 99 MET CA C 59.692 0.001 . 186 99 99 MET CB C 33.300 0.000 . 187 99 99 MET N N 119.640 0.025 . 188 100 100 ARG H H 7.554 0.001 . 189 100 100 ARG N N 116.901 0.010 . 190 101 101 ALA H H 7.223 0.001 . 191 101 101 ALA N N 119.523 0.023 . 192 104 104 GLN H H 7.269 0.001 . 193 104 104 GLN N N 114.836 0.013 . 194 107 107 LEU H H 7.445 0.002 . 195 107 107 LEU N N 123.387 0.024 . 196 108 108 TRP H H 8.726 0.000 . 197 108 108 TRP N N 131.177 0.021 . 198 109 109 LEU H H 9.535 0.003 . 199 109 109 LEU N N 126.235 0.030 . 200 110 110 ASN H H 8.642 0.004 . 201 110 110 ASN N N 122.415 0.022 . 202 111 111 LEU H H 7.681 0.002 . 203 111 111 LEU N N 127.703 0.014 . 204 112 112 GLU H H 7.801 0.002 . 205 112 112 GLU N N 128.100 0.023 . 206 115 115 SER H H 8.041 0.000 . 207 115 115 SER N N 122.084 0.000 . 208 116 116 ALA H H 8.939 0.001 . 209 116 116 ALA N N 127.060 0.030 . 210 117 117 GLU H H 8.639 0.001 . 211 117 117 GLU N N 120.467 0.030 . 212 118 118 ASP H H 8.717 0.001 . 213 118 118 ASP N N 121.583 0.027 . 214 119 119 TRP H H 7.636 0.004 . 215 119 119 TRP N N 116.819 0.011 . 216 120 120 VAL H H 6.042 0.002 . 217 120 120 VAL N N 118.536 0.024 . 218 121 121 GLU H H 7.172 0.002 . 219 121 121 GLU N N 118.061 0.061 . 220 122 122 GLY H H 7.535 0.000 . 221 122 122 GLY N N 104.152 0.009 . 222 123 123 CYS H H 7.208 0.007 . 223 123 123 CYS N N 116.427 0.052 . 224 124 124 HIS H H 8.803 0.003 . 225 124 124 HIS N N 117.783 0.026 . 226 127 127 PRO CA C 61.266 0.000 . 227 127 127 PRO CB C 31.308 0.000 . 228 128 128 SER H H 8.744 0.001 . 229 128 128 SER CA C 53.980 0.000 . 230 128 128 SER CB C 63.503 0.000 . 231 128 128 SER N N 118.362 0.009 . 232 130 130 GLN H H 8.662 0.002 . 233 130 130 GLN N N 122.670 0.028 . 234 133 133 GLY H H 8.128 0.000 . 235 133 133 GLY N N 107.425 0.009 . 236 134 134 LEU H H 7.526 0.001 . 237 134 134 LEU CA C 53.935 0.001 . 238 134 134 LEU N N 120.150 0.022 . 239 135 135 ARG H H 8.674 0.002 . 240 135 135 ARG CA C 55.001 0.002 . 241 135 135 ARG CB C 30.988 0.053 . 242 135 135 ARG N N 119.475 0.047 . 243 136 136 LYS H H 7.554 0.001 . 244 136 136 LYS CA C 53.564 0.006 . 245 136 136 LYS CB C 33.794 0.104 . 246 136 136 LYS N N 125.339 0.019 . 247 137 137 VAL H H 8.860 0.002 . 248 137 137 VAL CA C 60.832 0.005 . 249 137 137 VAL CB C 32.456 0.075 . 250 137 137 VAL N N 127.867 0.006 . 251 138 138 PHE H H 8.053 0.001 . 252 138 138 PHE CA C 58.734 0.008 . 253 138 138 PHE CB C 39.480 0.012 . 254 138 138 PHE N N 127.613 0.011 . 255 139 139 PHE H H 8.589 0.002 . 256 139 139 PHE CA C 56.814 0.001 . 257 139 139 PHE CB C 42.567 0.024 . 258 139 139 PHE N N 128.965 0.017 . 259 140 140 PHE H H 11.023 0.002 . 260 140 140 PHE CA C 55.132 0.000 . 261 140 140 PHE CB C 39.281 0.000 . 262 140 140 PHE N N 130.871 0.031 . 263 142 142 GLY H H 8.389 0.001 . 264 142 142 GLY N N 117.141 0.021 . 265 143 143 PHE H H 7.998 0.001 . 266 143 143 PHE N N 122.354 0.023 . 267 146 146 LYS H H 7.362 0.002 . 268 146 146 LYS CA C 54.846 0.044 . 269 146 146 LYS CB C 31.360 0.093 . 270 146 146 LYS N N 119.329 0.025 . 271 147 147 THR H H 6.961 0.001 . 272 147 147 THR CA C 59.375 0.002 . 273 147 147 THR CB C 71.015 0.077 . 274 147 147 THR N N 107.230 0.057 . 275 148 148 GLY H H 8.334 0.001 . 276 148 148 GLY CA C 45.431 0.018 . 277 148 148 GLY N N 106.234 0.046 . 278 149 149 GLY H H 7.050 0.002 . 279 149 149 GLY CA C 43.937 0.038 . 280 149 149 GLY N N 104.173 0.006 . 281 150 150 LEU H H 8.380 0.001 . 282 150 150 LEU CA C 51.783 0.026 . 283 150 150 LEU CB C 45.834 0.052 . 284 150 150 LEU N N 115.901 0.024 . 285 151 151 LEU H H 8.681 0.002 . 286 151 151 LEU CA C 55.317 0.000 . 287 151 151 LEU CB C 40.744 0.000 . 288 151 151 LEU N N 125.136 0.020 . 289 155 155 SER H H 8.229 0.009 . 290 155 155 SER N N 117.962 0.048 . 291 156 156 LEU H H 7.079 0.002 . 292 156 156 LEU CA C 58.536 0.010 . 293 156 156 LEU CB C 41.986 0.156 . 294 156 156 LEU N N 122.156 0.021 . 295 157 157 LEU H H 7.854 0.011 . 296 157 157 LEU CA C 57.763 0.002 . 297 157 157 LEU CB C 38.043 0.060 . 298 157 157 LEU N N 116.335 0.116 . 299 158 158 ALA H H 7.575 0.002 . 300 158 158 ALA CA C 54.347 0.013 . 301 158 158 ALA CB C 17.072 0.041 . 302 158 158 ALA N N 121.538 0.020 . 303 159 159 ARG H H 7.870 0.008 . 304 159 159 ARG CA C 59.178 0.005 . 305 159 159 ARG CB C 28.944 0.021 . 306 159 159 ARG N N 120.993 0.080 . 307 160 160 ARG H H 8.177 0.001 . 308 160 160 ARG CA C 57.219 0.000 . 309 160 160 ARG CB C 28.815 0.016 . 310 160 160 ARG N N 123.859 0.012 . 311 161 161 ASP H H 8.248 0.002 . 312 161 161 ASP CA C 56.793 0.021 . 313 161 161 ASP CB C 38.373 0.072 . 314 161 161 ASP N N 120.113 0.021 . 315 162 162 GLY H H 7.752 0.001 . 316 162 162 GLY CA C 46.208 0.010 . 317 162 162 GLY N N 106.061 0.021 . 318 163 163 PHE H H 7.500 0.001 . 319 163 163 PHE CA C 60.786 0.024 . 320 163 163 PHE CB C 39.527 0.000 . 321 163 163 PHE N N 122.774 0.007 . 322 164 164 GLN H H 8.957 0.002 . 323 164 164 GLN CA C 58.425 0.015 . 324 164 164 GLN CB C 27.732 0.000 . 325 164 164 GLN N N 115.035 0.010 . 326 165 165 GLN H H 7.635 0.001 . 327 165 165 GLN CA C 55.628 0.014 . 328 165 165 GLN CB C 27.416 0.099 . 329 165 165 GLN N N 114.715 0.012 . 330 166 166 SER H H 7.139 0.002 . 331 166 166 SER CA C 54.864 0.010 . 332 166 166 SER CB C 62.369 0.000 . 333 166 166 SER N N 114.727 0.021 . 334 167 167 ALA H H 8.777 0.003 . 335 167 167 ALA CA C 56.747 0.002 . 336 167 167 ALA N N 118.747 0.010 . 337 170 170 ARG H H 7.366 0.002 . 338 170 170 ARG N N 119.178 0.037 . 339 171 171 ARG H H 7.851 0.002 . 340 171 171 ARG N N 119.244 0.019 . 341 172 172 ALA H H 8.263 0.001 . 342 172 172 ALA N N 120.852 0.024 . 343 173 173 PHE H H 8.019 0.003 . 344 173 173 PHE CA C 60.313 0.003 . 345 173 173 PHE CB C 38.511 0.057 . 346 173 173 PHE N N 119.982 0.016 . 347 174 174 LEU H H 8.220 0.003 . 348 174 174 LEU CA C 57.470 0.021 . 349 174 174 LEU CB C 39.344 0.074 . 350 174 174 LEU N N 119.736 0.039 . 351 175 175 GLN H H 8.595 0.001 . 352 175 175 GLN CA C 58.738 0.011 . 353 175 175 GLN CB C 27.303 0.054 . 354 175 175 GLN N N 119.619 0.021 . 355 176 176 GLY H H 7.769 0.001 . 356 176 176 GLY CA C 46.101 0.013 . 357 176 176 GLY N N 108.997 0.016 . 358 177 177 LEU H H 6.932 0.002 . 359 177 177 LEU CA C 53.758 0.014 . 360 177 177 LEU CB C 42.103 0.000 . 361 177 177 LEU N N 120.017 0.014 . 362 178 178 GLY H H 7.574 0.002 . 363 178 178 GLY CA C 44.846 0.018 . 364 178 178 GLY N N 106.392 0.014 . 365 179 179 VAL H H 7.842 0.003 . 366 179 179 VAL CA C 61.107 0.012 . 367 179 179 VAL CB C 31.139 0.000 . 368 179 179 VAL N N 122.670 0.097 . 369 180 180 ASP H H 8.927 0.002 . 370 180 180 ASP CA C 52.056 0.011 . 371 180 180 ASP CB C 40.077 0.075 . 372 180 180 ASP N N 131.217 0.016 . 373 181 181 LEU H H 7.740 0.001 . 374 181 181 LEU CA C 54.156 0.009 . 375 181 181 LEU CB C 42.506 0.049 . 376 181 181 LEU N N 124.196 0.020 . 377 182 182 VAL H H 9.173 0.003 . 378 182 182 VAL CA C 60.406 0.000 . 379 182 182 VAL CB C 31.272 0.000 . 380 182 182 VAL N N 131.939 0.020 . 381 184 184 GLY H H 8.334 0.001 . 382 184 184 GLY N N 115.301 0.022 . 383 185 185 ALA H H 7.632 0.001 . 384 185 185 ALA N N 122.352 0.014 . 385 186 186 LEU H H 8.285 0.001 . 386 186 186 LEU N N 124.732 0.017 . 387 187 187 LEU H H 9.766 0.002 . 388 187 187 LEU N N 131.492 0.013 . 389 188 188 ILE H H 9.007 0.004 . 390 188 188 ILE N N 128.218 0.017 . 391 189 189 SER H H 8.560 0.003 . 392 189 189 SER N N 120.702 0.041 . 393 190 190 LEU H H 8.056 0.006 . 394 190 190 LEU N N 122.084 0.038 . 395 191 191 PHE H H 7.976 0.006 . 396 191 191 PHE N N 119.144 0.035 . 397 197 197 GLN H H 8.402 0.000 . 398 197 197 GLN N N 117.232 0.000 . 399 198 198 LEU H H 7.521 0.002 . 400 198 198 LEU N N 121.646 0.018 . 401 199 199 GLY H H 8.444 0.004 . 402 199 199 GLY CA C 46.989 0.009 . 403 199 199 GLY N N 105.934 0.013 . 404 200 200 ASN H H 7.942 0.001 . 405 200 200 ASN CA C 54.721 0.024 . 406 200 200 ASN CB C 36.972 0.000 . 407 200 200 ASN N N 118.652 0.024 . 408 201 201 TRP H H 8.379 0.001 . 409 201 201 TRP CA C 58.274 0.000 . 410 201 201 TRP CB C 28.851 0.000 . 411 201 201 TRP N N 117.214 0.022 . 412 205 205 LEU H H 8.511 0.003 . 413 205 205 LEU N N 117.513 0.027 . 414 206 206 ALA H H 8.521 0.002 . 415 206 206 ALA N N 117.635 0.024 . 416 207 207 THR H H 7.382 0.001 . 417 207 207 THR N N 106.736 0.014 . 418 208 208 ALA H H 6.670 0.002 . 419 208 208 ALA N N 125.197 0.010 . 420 209 209 ASP H H 8.059 0.002 . 421 209 209 ASP N N 116.374 0.010 . 422 210 210 GLN H H 6.998 0.002 . 423 210 210 GLN N N 119.551 0.017 . 424 225 225 LEU H H 7.553 0.002 . 425 225 225 LEU N N 122.048 0.014 . 426 226 226 SER H H 8.908 0.005 . 427 226 226 SER N N 124.025 0.013 . 428 228 228 TRP H H 7.725 0.002 . 429 228 228 TRP N N 121.324 0.019 . 430 229 229 LEU H H 8.016 0.001 . 431 229 229 LEU N N 122.239 0.046 . 432 230 230 GLY H H 7.116 0.000 . 433 230 230 GLY N N 132.100 0.000 . 434 231 231 GLU H H 8.142 0.001 . 435 231 231 GLU CA C 54.497 0.000 . 436 231 231 GLU CB C 30.194 0.053 . 437 231 231 GLU N N 119.732 0.013 . 438 232 232 GLY H H 8.075 0.001 . 439 232 232 GLY CA C 43.712 0.000 . 440 232 232 GLY N N 109.539 0.027 . 441 234 234 LEU H H 7.554 0.001 . 442 234 234 LEU N N 122.895 0.018 . 443 235 235 HIS H H 8.999 0.002 . 444 235 235 HIS N N 121.357 0.013 . 445 236 236 VAL H H 8.243 0.003 . 446 236 236 VAL N N 121.086 0.029 . 447 238 238 ASP H H 8.635 0.000 . 448 238 238 ASP N N 130.311 0.000 . 449 239 239 VAL H H 7.872 0.001 . 450 239 239 VAL N N 120.831 0.000 . 451 240 240 ARG H H 8.814 0.002 . 452 240 240 ARG CA C 56.842 0.019 . 453 240 240 ARG CB C 31.271 0.000 . 454 240 240 ARG N N 125.441 0.025 . 455 241 241 THR H H 8.667 0.004 . 456 241 241 THR CA C 60.840 0.003 . 457 241 241 THR CB C 70.957 0.026 . 458 241 241 THR N N 120.085 0.094 . 459 242 242 ARG H H 9.256 0.001 . 460 242 242 ARG CA C 53.819 0.002 . 461 242 242 ARG CB C 30.984 0.077 . 462 242 242 ARG N N 128.661 0.018 . 463 243 243 GLY H H 8.666 0.003 . 464 243 243 GLY CA C 46.700 0.020 . 465 243 243 GLY N N 114.741 0.036 . 466 244 244 ALA H H 8.977 0.001 . 467 244 244 ALA CA C 52.252 0.010 . 468 244 244 ALA CB C 18.386 0.095 . 469 244 244 ALA N N 130.719 0.009 . 470 245 245 LEU H H 8.336 0.001 . 471 245 245 LEU CA C 53.607 0.003 . 472 245 245 LEU CB C 43.973 0.035 . 473 245 245 LEU N N 122.627 0.037 . 474 246 246 THR H H 8.700 0.002 . 475 246 246 THR CA C 61.713 0.037 . 476 246 246 THR CB C 69.875 0.051 . 477 246 246 THR N N 125.341 0.039 . 478 247 247 VAL H H 9.261 0.003 . 479 247 247 VAL CA C 59.210 0.000 . 480 247 247 VAL CB C 33.141 0.000 . 481 247 247 VAL N N 124.804 0.028 . 482 252 252 PHE H H 7.912 0.002 . 483 252 252 PHE N N 117.279 0.031 . 484 260 260 ARG H H 6.966 0.000 . 485 260 260 ARG N N 107.440 0.000 . 486 261 261 LEU H H 7.606 0.000 . 487 261 261 LEU N N 122.527 0.000 . 488 262 262 LEU H H 7.644 0.000 . 489 262 262 LEU N N 120.378 0.000 . 490 263 263 TRP H H 8.281 0.005 . 491 263 263 TRP N N 118.048 0.030 . 492 267 267 PHE H H 7.528 0.002 . 493 267 267 PHE N N 116.158 0.009 . 494 268 268 ASN H H 7.553 0.001 . 495 268 268 ASN N N 124.487 0.006 . 496 269 269 ALA H H 8.671 0.001 . 497 269 269 ALA N N 129.111 0.016 . 498 270 270 VAL H H 8.592 0.003 . 499 270 270 VAL N N 115.540 0.039 . 500 274 274 ASP H H 7.182 0.001 . 501 274 274 ASP N N 121.789 0.013 . 502 275 275 SER H H 9.810 0.002 . 503 275 275 SER N N 119.862 0.032 . 504 276 276 PHE H H 8.528 0.003 . 505 276 276 PHE N N 120.810 0.022 . 506 289 289 HIS H H 9.157 0.001 . 507 289 289 HIS N N 120.778 0.007 . 508 290 290 ILE H H 7.950 0.002 . 509 290 290 ILE N N 117.414 0.038 . 510 296 296 ASN H H 8.549 0.001 . 511 296 296 ASN N N 115.032 0.004 . 512 297 297 ALA H H 7.194 0.001 . 513 297 297 ALA N N 118.963 0.019 . 514 298 298 HIS H H 7.134 0.001 . 515 298 298 HIS N N 118.936 0.020 . 516 300 300 GLU H H 8.660 0.000 . 517 300 300 GLU N N 123.194 0.024 . 518 301 301 LYS H H 8.862 0.002 . 519 301 301 LYS N N 121.991 0.017 . 520 306 306 LEU H H 8.360 0.000 . 521 306 306 LEU N N 117.256 0.000 . 522 307 307 ALA H H 7.254 0.000 . 523 307 307 ALA N N 122.650 0.000 . 524 308 308 HIS H H 7.567 0.002 . 525 308 308 HIS N N 118.761 0.021 . 526 311 311 CYS H H 9.690 0.004 . 527 311 311 CYS N N 131.134 0.050 . 528 312 312 GLY H H 9.872 0.002 . 529 312 312 GLY N N 114.376 0.027 . 530 317 317 ALA H H 6.975 0.003 . 531 317 317 ALA CA C 54.551 0.012 . 532 317 317 ALA CB C 17.587 0.015 . 533 317 317 ALA N N 124.529 0.020 . 534 318 318 ASP H H 8.564 0.002 . 535 318 318 ASP CA C 56.843 0.012 . 536 318 318 ASP CB C 41.987 0.104 . 537 318 318 ASP N N 119.766 0.032 . 538 319 319 ALA H H 7.241 0.002 . 539 319 319 ALA CA C 54.416 0.018 . 540 319 319 ALA CB C 17.135 0.051 . 541 319 319 ALA N N 117.995 0.026 . 542 320 320 ALA H H 7.395 0.002 . 543 320 320 ALA CA C 53.359 0.010 . 544 320 320 ALA CB C 17.363 0.015 . 545 320 320 ALA N N 120.471 0.028 . 546 321 321 LEU H H 8.709 0.002 . 547 321 321 LEU CA C 59.103 0.013 . 548 321 321 LEU CB C 40.567 0.000 . 549 321 321 LEU N N 123.824 0.029 . 550 322 322 LEU H H 8.466 0.002 . 551 322 322 LEU CA C 58.345 0.008 . 552 322 322 LEU CB C 39.910 0.000 . 553 322 322 LEU N N 119.531 0.008 . 554 323 323 GLY H H 8.123 0.001 . 555 323 323 GLY CA C 46.571 0.000 . 556 323 323 GLY N N 104.140 0.014 . 557 324 324 LEU H H 7.822 0.001 . 558 324 324 LEU N N 124.614 0.009 . 559 325 325 TRP H H 8.377 0.002 . 560 325 325 TRP N N 117.839 0.039 . 561 329 329 ASN H H 7.941 0.000 . 562 329 329 ASN N N 124.509 0.000 . 563 334 334 MET H H 8.692 0.007 . 564 334 334 MET N N 129.991 0.009 . 565 335 335 GLY H H 8.718 0.001 . 566 335 335 GLY N N 110.247 0.017 . 567 336 336 GLN H H 7.737 0.003 . 568 336 336 GLN N N 120.800 0.030 . 569 337 337 ALA H H 7.303 0.001 . 570 337 337 ALA N N 120.301 0.015 . 571 338 338 TRP H H 10.217 0.001 . 572 338 338 TRP N N 124.997 0.004 . 573 339 339 ARG H H 6.933 0.004 . 574 339 339 ARG N N 116.638 0.054 . 575 340 340 ALA H H 8.188 0.001 . 576 340 340 ALA N N 120.502 0.036 . 577 341 341 ALA H H 6.843 0.004 . 578 341 341 ALA N N 118.300 0.073 . 579 342 342 ARG H H 7.199 0.002 . 580 342 342 ARG N N 116.932 0.036 . 581 343 343 GLN H H 8.627 0.000 . 582 343 343 GLN N N 122.401 0.000 . 583 347 347 GLU H H 7.815 0.001 . 584 347 347 GLU N N 119.251 0.013 . 585 348 348 LEU H H 8.222 0.000 . 586 348 348 LEU N N 119.669 0.000 . 587 349 349 GLN H H 8.882 0.002 . 588 349 349 GLN CA C 59.156 0.008 . 589 349 349 GLN CB C 28.918 0.071 . 590 349 349 GLN N N 120.806 0.007 . 591 350 350 GLN H H 7.598 0.002 . 592 350 350 GLN CA C 58.352 0.016 . 593 350 350 GLN CB C 27.775 0.045 . 594 350 350 GLN N N 120.478 0.053 . 595 351 351 HIS H H 8.524 0.002 . 596 351 351 HIS CA C 59.856 0.000 . 597 351 351 HIS CB C 31.711 0.000 . 598 351 351 HIS N N 121.624 0.010 . 599 352 352 ALA H H 8.209 0.004 . 600 352 352 ALA CA C 55.661 0.000 . 601 352 352 ALA N N 123.008 0.055 . 602 353 353 ARG H H 7.085 0.002 . 603 353 353 ARG N N 119.733 0.041 . 604 354 354 LEU H H 9.356 0.005 . 605 354 354 LEU N N 118.522 0.047 . 606 355 355 TRP H H 6.327 0.002 . 607 355 355 TRP N N 114.112 0.007 . 608 356 356 GLY H H 7.277 0.009 . 609 356 356 GLY N N 109.607 0.039 . 610 357 357 ALA H H 7.392 0.001 . 611 357 357 ALA N N 122.159 0.008 . 612 358 358 ARG H H 8.692 0.000 . 613 358 358 ARG N N 121.162 0.000 . 614 359 359 GLN H H 7.713 0.001 . 615 359 359 GLN N N 116.521 0.011 . 616 360 360 ALA H H 7.647 0.005 . 617 360 360 ALA N N 120.358 0.069 . 618 361 361 ALA H H 7.638 0.002 . 619 361 361 ALA N N 119.833 0.014 . 620 362 362 GLN H H 7.808 0.002 . 621 362 362 GLN N N 115.140 0.026 . 622 364 364 ASP H H 8.071 0.001 . 623 364 364 ASP N N 123.486 0.019 . 624 365 365 LEU H H 7.832 0.000 . 625 365 365 LEU N N 122.490 0.000 . 626 368 368 ALA H H 8.480 0.003 . 627 368 368 ALA N N 124.322 0.016 . 628 369 369 LEU H H 8.728 0.002 . 629 369 369 LEU N N 122.954 0.026 . 630 370 370 VAL H H 7.941 0.002 . 631 370 370 VAL CA C 67.096 0.006 . 632 370 370 VAL CB C 30.867 0.047 . 633 370 370 VAL N N 121.124 0.024 . 634 371 371 HIS H H 8.911 0.001 . 635 371 371 HIS CA C 59.143 0.007 . 636 371 371 HIS CB C 29.964 0.106 . 637 371 371 HIS N N 120.381 0.023 . 638 372 372 PHE H H 8.411 0.002 . 639 372 372 PHE CA C 61.668 0.004 . 640 372 372 PHE CB C 39.031 0.162 . 641 372 372 PHE N N 121.939 0.049 . 642 373 373 TYR H H 8.342 0.002 . 643 373 373 TYR CA C 59.752 0.020 . 644 373 373 TYR CB C 37.147 0.062 . 645 373 373 TYR N N 119.826 0.049 . 646 374 374 ARG H H 8.595 0.002 . 647 374 374 ARG CA C 58.890 0.008 . 648 374 374 ARG CB C 28.699 0.092 . 649 374 374 ARG N N 120.612 0.038 . 650 375 375 ASN H H 7.891 0.002 . 651 375 375 ASN CA C 53.689 0.013 . 652 375 375 ASN CB C 37.979 0.085 . 653 375 375 ASN N N 115.919 0.033 . 654 376 376 SER H H 7.464 0.002 . 655 376 376 SER CA C 58.875 0.008 . 656 376 376 SER CB C 63.583 0.083 . 657 376 376 SER N N 116.556 0.039 . 658 377 377 LEU H H 6.743 0.001 . 659 377 377 LEU CA C 56.264 0.000 . 660 377 377 LEU CB C 41.806 0.000 . 661 377 377 LEU N N 128.604 0.022 . stop_ save_