data_25646 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of rat p75NTR transmembrane and intracellular domains in lipid/protein nanodiscs ; _BMRB_accession_number 25646 _BMRB_flat_file_name bmr25646.str _Entry_type original _Submission_date 2015-06-03 _Accession_date 2015-06-03 _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 Mineev Konstantin S. . 2 Goncharuk Sergey A. . 3 Arseniev Alexander S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 336 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-16 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19673 'Assignment of p75 NTR transmembrane domain in DPC micelles' 25647 p75-TMDCD/DPC 25648 p75-TMDCD/LPN stop_ _Original_release_date 2015-09-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Dynamics of Transmembrane and Intracellular Domains of p75NTR in Lipid-Protein Nanodiscs ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26287629 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mineev Konstantin S. . 2 Goncharuk Sergey A. . 3 Kuzmichev Pavel K. . 4 Vilar Marcal . . 5 Arseniev Alexander S. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 109 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 772 _Page_last 782 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p75-TMICD/LPN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p75-TMICD $p75-TMICD stop_ _System_molecular_weight 120000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'P75-TMICD in lipid/protein nanodiscs' save_ ######################## # Monomeric polymers # ######################## save_p75-TMICD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p75-TMICD _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Neurotrophin reception' 'cell death/survival regulation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; MHHHHHHGSGSGLVPRGSTR GTTDNLIPVYCSILAAVVVG LVAYIAFKRWNSCKQNKQGA NSRPVNQTPPPEGEKLHSDS GISVDSQSLHDQQTHTQTAS GQALKGDGNLYSSLPLTKRE EVEKLLNGDTWRHLAGELGY QPEHIDSFTHEACPVRALLA SWGAQDSATLDALLAALRRI QRADIVESLCSESTATSPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 227 MET 2 228 HIS 3 229 HIS 4 230 HIS 5 231 HIS 6 232 HIS 7 233 HIS 8 234 GLY 9 235 SER 10 236 GLY 11 237 SER 12 238 GLY 13 239 LEU 14 240 VAL 15 241 PRO 16 242 ARG 17 243 GLY 18 244 SER 19 245 THR 20 246 ARG 21 247 GLY 22 248 THR 23 249 THR 24 250 ASP 25 251 ASN 26 252 LEU 27 253 ILE 28 254 PRO 29 255 VAL 30 256 TYR 31 257 CYS 32 258 SER 33 259 ILE 34 260 LEU 35 261 ALA 36 262 ALA 37 263 VAL 38 264 VAL 39 265 VAL 40 266 GLY 41 267 LEU 42 268 VAL 43 269 ALA 44 270 TYR 45 271 ILE 46 272 ALA 47 273 PHE 48 274 LYS 49 275 ARG 50 276 TRP 51 277 ASN 52 278 SER 53 279 CYS 54 280 LYS 55 281 GLN 56 282 ASN 57 283 LYS 58 284 GLN 59 285 GLY 60 286 ALA 61 287 ASN 62 288 SER 63 289 ARG 64 290 PRO 65 291 VAL 66 292 ASN 67 293 GLN 68 294 THR 69 295 PRO 70 296 PRO 71 297 PRO 72 298 GLU 73 299 GLY 74 300 GLU 75 301 LYS 76 302 LEU 77 303 HIS 78 304 SER 79 305 ASP 80 306 SER 81 307 GLY 82 308 ILE 83 309 SER 84 310 VAL 85 311 ASP 86 312 SER 87 313 GLN 88 314 SER 89 315 LEU 90 316 HIS 91 317 ASP 92 318 GLN 93 319 GLN 94 320 THR 95 321 HIS 96 322 THR 97 323 GLN 98 324 THR 99 325 ALA 100 326 SER 101 327 GLY 102 328 GLN 103 329 ALA 104 330 LEU 105 331 LYS 106 332 GLY 107 333 ASP 108 334 GLY 109 335 ASN 110 336 LEU 111 337 TYR 112 338 SER 113 339 SER 114 340 LEU 115 341 PRO 116 342 LEU 117 343 THR 118 344 LYS 119 345 ARG 120 346 GLU 121 347 GLU 122 348 VAL 123 349 GLU 124 350 LYS 125 351 LEU 126 352 LEU 127 353 ASN 128 354 GLY 129 355 ASP 130 356 THR 131 357 TRP 132 358 ARG 133 359 HIS 134 360 LEU 135 361 ALA 136 362 GLY 137 363 GLU 138 364 LEU 139 365 GLY 140 366 TYR 141 367 GLN 142 368 PRO 143 369 GLU 144 370 HIS 145 371 ILE 146 372 ASP 147 373 SER 148 374 PHE 149 375 THR 150 376 HIS 151 377 GLU 152 378 ALA 153 379 CYS 154 380 PRO 155 381 VAL 156 382 ARG 157 383 ALA 158 384 LEU 159 385 LEU 160 386 ALA 161 387 SER 162 388 TRP 163 389 GLY 164 390 ALA 165 391 GLN 166 392 ASP 167 393 SER 168 394 ALA 169 395 THR 170 396 LEU 171 397 ASP 172 398 ALA 173 399 LEU 174 400 LEU 175 401 ALA 176 402 ALA 177 403 LEU 178 404 ARG 179 405 ARG 180 406 ILE 181 407 GLN 182 408 ARG 183 409 ALA 184 410 ASP 185 411 ILE 186 412 VAL 187 413 GLU 188 414 SER 189 415 LEU 190 416 CYS 191 417 SER 192 418 GLU 193 419 SER 194 420 THR 195 421 ALA 196 422 THR 197 423 SER 198 424 PRO 199 425 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAC29775 "unnamed protein product [Mus musculus]" 90.95 417 99.45 99.45 4.27e-125 EMBL CAA28783 "unnamed protein product [Rattus norvegicus]" 90.95 425 100.00 100.00 1.27e-125 GB AAD17943 "nerve growth factor receptor [Mus musculus]" 90.95 417 98.90 98.90 2.93e-124 GB AAH38365 "Nerve growth factor receptor (TNFR superfamily, member 16) [Mus musculus]" 90.95 427 99.45 99.45 4.84e-125 GB EDL15985 "nerve growth factor receptor (TNFR superfamily, member 16) [Mus musculus]" 90.95 417 99.45 99.45 4.27e-125 GB EDM05760 "nerve growth factor receptor (TNFR superfamily, member 16) [Rattus norvegicus]" 90.95 425 100.00 100.00 9.48e-126 PRF 1303336A "nerve growth factor receptor" 90.95 425 100.00 100.00 1.27e-125 REF NP_036742 "tumor necrosis factor receptor superfamily member 16 precursor [Rattus norvegicus]" 90.95 425 100.00 100.00 9.48e-126 REF NP_150086 "tumor necrosis factor receptor superfamily member 16 precursor [Mus musculus]" 90.95 427 99.45 99.45 4.84e-125 SP P07174 "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Gp80-LNGFR; AltName: Full=Low affinity neurot" 90.95 425 100.00 100.00 1.27e-125 SP Q9Z0W1 "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Low affinity neurotrophin receptor p75NTR; Al" 90.95 417 98.90 98.90 2.93e-124 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p75-TMICD 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $p75-TMICD 'recombinant technology' . Escherichia coli . pGEMEX-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'MSP1,DMPC and DHPC are components of membrane mimetic' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p75-TMICD 0.2 mM '[U-99% 13C; U-99% 15N]' MSP1 0.4 mM 'natural abundance' DMPC 19.2 mM 'natural abundance' DMPG 4.8 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '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 p75-TMICD _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 1 239 13 LEU HB2 H 1.598 0.020 1 2 239 13 LEU HB3 H 1.598 0.020 1 3 239 13 LEU HD1 H 0.928 0.020 2 4 239 13 LEU HD2 H 0.876 0.020 2 5 240 14 VAL HB H 2.071 0.020 1 6 240 14 VAL HG1 H 0.950 0.020 2 7 240 14 VAL HG2 H 0.932 0.020 2 8 286 60 ALA HB H 1.398 0.020 1 9 291 65 VAL HB H 2.116 0.020 1 10 291 65 VAL HG1 H 0.950 0.020 2 11 291 65 VAL HG2 H 0.964 0.020 2 12 292 66 ASN HB2 H 2.856 0.020 2 13 292 66 ASN HB3 H 2.776 0.020 2 14 293 67 GLN HB2 H 1.997 0.020 1 15 293 67 GLN HB3 H 1.997 0.020 1 16 293 67 GLN HG2 H 2.384 0.020 1 17 293 67 GLN HG3 H 2.384 0.020 1 18 294 68 THR HB H 4.143 0.020 1 19 294 68 THR HG2 H 1.265 0.020 1 20 302 76 LEU HB2 H 1.496 0.020 2 21 302 76 LEU HB3 H 1.650 0.020 2 22 302 76 LEU HG H 1.549 0.020 1 23 302 76 LEU HD1 H 0.900 0.020 2 24 302 76 LEU HD2 H 0.840 0.020 2 25 306 80 SER HB2 H 3.901 0.020 1 26 306 80 SER HB3 H 3.901 0.020 1 27 308 82 ILE HB H 1.868 0.020 1 28 308 82 ILE HG12 H 1.441 0.020 2 29 308 82 ILE HG13 H 1.167 0.020 2 30 308 82 ILE HG2 H 0.907 0.020 1 31 308 82 ILE HD1 H 0.857 0.020 1 32 315 89 LEU HB2 H 1.613 0.020 2 33 315 89 LEU HB3 H 1.517 0.020 1 34 315 89 LEU HG H 1.571 0.020 1 35 315 89 LEU HD1 H 0.893 0.020 2 36 315 89 LEU HD2 H 0.844 0.020 2 37 320 94 THR HB H 4.246 0.020 1 38 320 94 THR HG2 H 1.170 0.020 1 39 322 96 THR HB H 4.195 0.020 1 40 322 96 THR HG2 H 1.194 0.020 1 41 323 97 GLN HG2 H 2.390 0.020 1 42 323 97 GLN HG3 H 2.390 0.020 1 43 324 98 THR HB H 4.231 0.020 1 44 324 98 THR HG2 H 1.222 0.020 1 45 325 99 ALA HB H 1.427 0.020 1 46 329 103 ALA HB H 1.402 0.020 1 47 335 109 ASN HB2 H 2.770 0.020 2 48 335 109 ASN HB3 H 2.930 0.020 2 49 339 113 SER HB2 H 4.020 0.020 2 50 339 113 SER HB3 H 3.970 0.020 2 51 340 114 LEU HB2 H 2.000 0.020 2 52 340 114 LEU HB3 H 1.640 0.020 2 53 340 114 LEU HG H 1.170 0.020 1 54 340 114 LEU HD1 H 0.880 0.020 2 55 340 114 LEU HD2 H 0.960 0.020 2 56 341 115 PRO HB2 H 1.870 0.020 2 57 341 115 PRO HB3 H 2.540 0.020 2 58 341 115 PRO HG2 H 2.140 0.020 2 59 341 115 PRO HG3 H 2.170 0.020 2 60 341 115 PRO HD2 H 3.460 0.020 2 61 341 115 PRO HD3 H 4.040 0.020 2 62 342 116 LEU HB2 H 1.650 0.020 2 63 342 116 LEU HB3 H 1.790 0.020 2 64 342 116 LEU HG H 1.580 0.020 1 65 342 116 LEU HD1 H 0.930 0.020 2 66 342 116 LEU HD2 H 0.970 0.020 2 67 343 117 THR HB H 4.170 0.020 1 68 343 117 THR HG2 H 1.330 0.020 1 69 344 118 LYS HB2 H 1.970 0.020 2 70 344 118 LYS HB3 H 1.870 0.020 2 71 344 118 LYS HG2 H 1.540 0.020 2 72 344 118 LYS HG3 H 1.600 0.020 2 73 344 118 LYS HD2 H 1.690 0.020 2 74 344 118 LYS HD3 H 1.720 0.020 2 75 344 118 LYS HE2 H 3.030 0.020 1 76 344 118 LYS HE3 H 3.030 0.020 1 77 345 119 ARG HB2 H 1.850 0.020 2 78 345 119 ARG HB3 H 1.960 0.020 2 79 345 119 ARG HG2 H 1.270 0.020 2 80 345 119 ARG HG3 H 1.850 0.020 2 81 345 119 ARG HD2 H 2.740 0.020 2 82 345 119 ARG HD3 H 2.960 0.020 2 83 345 119 ARG HE H 6.695 0.020 1 84 346 120 GLU HB2 H 2.120 0.020 2 85 346 120 GLU HB3 H 1.960 0.020 2 86 346 120 GLU HG2 H 2.170 0.020 2 87 346 120 GLU HG3 H 2.480 0.020 2 88 347 121 GLU HB2 H 2.183 0.020 1 89 347 121 GLU HB3 H 2.183 0.020 1 90 347 121 GLU HG2 H 2.450 0.020 1 91 347 121 GLU HG3 H 2.450 0.020 1 92 348 122 VAL HB H 2.440 0.020 1 93 348 122 VAL HG1 H 0.880 0.020 2 94 348 122 VAL HG2 H 1.090 0.020 2 95 349 123 GLU HB2 H 2.070 0.020 2 96 349 123 GLU HB3 H 1.850 0.020 2 97 349 123 GLU HG2 H 1.980 0.020 2 98 349 123 GLU HG3 H 2.620 0.020 2 99 350 124 LYS HB2 H 1.970 0.020 1 100 350 124 LYS HB3 H 1.970 0.020 1 101 350 124 LYS HG2 H 1.480 0.020 2 102 350 124 LYS HG3 H 1.630 0.020 2 103 350 124 LYS HD2 H 1.720 0.020 1 104 350 124 LYS HD3 H 1.720 0.020 1 105 350 124 LYS HE2 H 2.980 0.020 1 106 350 124 LYS HE3 H 2.980 0.020 1 107 351 125 LEU HB2 H 1.960 0.020 2 108 351 125 LEU HB3 H 2.080 0.020 2 109 351 125 LEU HG H 1.430 0.020 1 110 352 126 LEU HB2 H 1.890 0.020 2 111 352 126 LEU HB3 H 1.480 0.020 2 112 352 126 LEU HG H 1.820 0.020 1 113 353 127 ASN HB2 H 2.960 0.020 2 114 353 127 ASN HB3 H 3.100 0.020 2 115 355 129 ASP HB2 H 2.620 0.020 2 116 355 129 ASP HB3 H 2.650 0.020 2 117 356 130 THR HB H 4.050 0.020 1 118 356 130 THR HG2 H 1.300 0.020 1 119 357 131 TRP HB2 H 3.190 0.020 2 120 357 131 TRP HB3 H 3.330 0.020 2 121 357 131 TRP HD1 H 7.690 0.020 1 122 357 131 TRP HE1 H 10.430 0.020 1 123 357 131 TRP HE3 H 7.120 0.020 1 124 357 131 TRP HZ2 H 7.060 0.020 1 125 357 131 TRP HZ3 H 7.470 0.020 1 126 357 131 TRP HH2 H 7.330 0.020 1 127 358 132 ARG HB2 H 0.980 0.020 2 128 358 132 ARG HB3 H 1.190 0.020 2 129 358 132 ARG HG2 H -0.030 0.020 2 130 358 132 ARG HG3 H 0.030 0.020 2 131 358 132 ARG HD2 H 2.770 0.020 2 132 358 132 ARG HD3 H 2.850 0.020 2 133 358 132 ARG HE H 7.145 0.020 1 134 359 133 HIS HB2 H 3.160 0.020 2 135 359 133 HIS HB3 H 3.240 0.020 2 136 359 133 HIS HD1 H 6.950 0.020 1 137 359 133 HIS HD2 H 7.730 0.020 1 138 360 134 LEU HB2 H 1.230 0.020 2 139 360 134 LEU HB3 H 1.940 0.020 2 140 360 134 LEU HG H 1.320 0.020 1 141 361 135 ALA HB H 1.533 0.020 1 142 363 137 GLU HB2 H 2.010 0.020 2 143 363 137 GLU HB3 H 2.110 0.020 2 144 363 137 GLU HG2 H 2.270 0.020 2 145 363 137 GLU HG3 H 2.400 0.020 2 146 364 138 LEU HB2 H 1.800 0.020 2 147 364 138 LEU HB3 H 1.660 0.020 2 148 364 138 LEU HG H 1.440 0.020 1 149 364 138 LEU HD1 H -0.140 0.020 2 150 364 138 LEU HD2 H 0.190 0.020 2 151 366 140 TYR HB2 H 2.740 0.020 2 152 366 140 TYR HB3 H 3.000 0.020 2 153 367 141 GLN HB2 H 1.840 0.020 2 154 367 141 GLN HB3 H 2.510 0.020 2 155 367 141 GLN HG2 H 2.620 0.020 1 156 367 141 GLN HG3 H 2.620 0.020 1 157 367 141 GLN HE21 H 6.925 0.020 1 158 367 141 GLN HE22 H 7.474 0.020 1 159 368 142 PRO HB2 H 1.980 0.020 2 160 368 142 PRO HB3 H 2.440 0.020 2 161 368 142 PRO HG2 H 2.500 0.020 2 162 368 142 PRO HG3 H 2.270 0.020 2 163 368 142 PRO HD2 H 3.870 0.020 2 164 368 142 PRO HD3 H 3.960 0.020 2 165 369 143 GLU HB2 H 1.950 0.020 2 166 369 143 GLU HB3 H 1.980 0.020 2 167 369 143 GLU HG2 H 2.130 0.020 2 168 369 143 GLU HG3 H 2.200 0.020 2 169 370 144 HIS HB2 H 3.520 0.020 2 170 370 144 HIS HB3 H 3.390 0.020 2 171 370 144 HIS HD1 H 7.030 0.020 1 172 370 144 HIS HD2 H 7.860 0.020 1 173 371 145 ILE HB H 2.060 0.020 1 174 371 145 ILE HG12 H 0.850 0.020 2 175 371 145 ILE HG13 H 1.820 0.020 2 176 371 145 ILE HG2 H 0.910 0.020 1 177 371 145 ILE HD1 H 0.790 0.020 1 178 372 146 ASP HB2 H 2.740 0.020 1 179 372 146 ASP HB3 H 2.740 0.020 1 180 373 147 SER HB2 H 3.880 0.020 2 181 373 147 SER HB3 H 3.850 0.020 2 182 374 148 PHE HB2 H 3.200 0.020 2 183 374 148 PHE HB3 H 2.940 0.020 2 184 374 148 PHE HZ H 7.040 0.020 1 185 375 149 THR HB H 4.320 0.020 1 186 375 149 THR HG2 H 1.470 0.020 1 187 376 150 HIS HB2 H 3.110 0.020 2 188 376 150 HIS HB3 H 3.390 0.020 2 189 376 150 HIS HD1 H 7.180 0.020 1 190 376 150 HIS HD2 H 7.970 0.020 1 191 377 151 GLU HB2 H 1.667 0.020 2 192 377 151 GLU HB3 H 2.120 0.020 2 193 377 151 GLU HG2 H 2.320 0.020 1 194 377 151 GLU HG3 H 2.320 0.020 1 195 378 152 ALA HB H 1.440 0.020 1 196 379 153 CYS HB2 H 2.840 0.020 2 197 379 153 CYS HB3 H 2.650 0.020 2 198 380 154 PRO HB2 H 0.850 0.020 2 199 380 154 PRO HB3 H -0.010 0.020 2 200 380 154 PRO HG2 H 1.670 0.020 2 201 380 154 PRO HG3 H 1.920 0.020 2 202 380 154 PRO HD2 H 3.490 0.020 2 203 380 154 PRO HD3 H 3.730 0.020 2 204 381 155 VAL HB H 1.980 0.020 1 205 381 155 VAL HG1 H 0.920 0.020 2 206 381 155 VAL HG2 H 0.930 0.020 2 207 382 156 ARG HB2 H 1.900 0.020 2 208 382 156 ARG HB3 H 1.790 0.020 2 209 382 156 ARG HG2 H 1.610 0.020 2 210 382 156 ARG HG3 H 1.820 0.020 2 211 382 156 ARG HD2 H 3.160 0.020 2 212 382 156 ARG HD3 H 3.320 0.020 2 213 382 156 ARG HE H 7.890 0.020 1 214 383 157 ALA HB H 1.420 0.020 1 215 384 158 LEU HB2 H 0.720 0.020 2 216 384 158 LEU HB3 H 1.700 0.020 2 217 384 158 LEU HG H 1.070 0.020 1 218 384 158 LEU HD1 H 0.352 0.020 2 219 384 158 LEU HD2 H 0.797 0.020 2 220 385 159 LEU HB2 H 1.560 0.020 2 221 385 159 LEU HB3 H 1.070 0.020 2 222 385 159 LEU HG H 1.540 0.020 1 223 385 159 LEU HD1 H 0.640 0.020 2 224 385 159 LEU HD2 H 0.349 0.020 2 225 386 160 ALA HB H 1.514 0.020 1 226 387 161 SER HB2 H 4.290 0.020 1 227 387 161 SER HB3 H 4.290 0.020 1 228 388 162 TRP HB2 H 3.610 0.020 2 229 388 162 TRP HB3 H 3.272 0.020 2 230 388 162 TRP HD1 H 7.370 0.020 1 231 388 162 TRP HE1 H 10.380 0.020 1 232 388 162 TRP HE3 H 7.390 0.020 1 233 388 162 TRP HZ2 H 6.630 0.020 1 234 388 162 TRP HZ3 H 7.460 0.020 1 235 388 162 TRP HH2 H 7.250 0.020 1 236 390 164 ALA HB H 1.540 0.020 1 237 391 165 GLN HB2 H 1.940 0.020 2 238 391 165 GLN HB3 H 2.170 0.020 2 239 391 165 GLN HG2 H 2.390 0.020 2 240 391 165 GLN HG3 H 2.640 0.020 2 241 391 165 GLN HE21 H 6.970 0.020 1 242 391 165 GLN HE22 H 7.240 0.020 1 243 392 166 ASP HB2 H 2.700 0.020 2 244 392 166 ASP HB3 H 2.720 0.020 2 245 393 167 SER HB2 H 3.880 0.020 2 246 393 167 SER HB3 H 4.150 0.020 2 247 394 168 ALA HB H 0.168 0.020 1 248 395 169 THR HB H 4.700 0.020 1 249 395 169 THR HG1 H 5.900 0.020 1 250 395 169 THR HG2 H 1.250 0.020 1 251 396 170 LEU HB2 H 1.680 0.020 2 252 396 170 LEU HB3 H 1.990 0.020 2 253 396 170 LEU HG H 1.780 0.020 1 254 396 170 LEU HD1 H 1.080 0.020 2 255 396 170 LEU HD2 H 1.140 0.020 2 256 397 171 ASP HB2 H 2.680 0.020 1 257 397 171 ASP HB3 H 2.680 0.020 1 258 398 172 ALA HB H 1.871 0.020 1 259 399 173 LEU HB2 H 1.660 0.020 2 260 399 173 LEU HB3 H 2.170 0.020 2 261 399 173 LEU HG H 1.340 0.020 1 262 399 173 LEU HD1 H 0.377 0.020 2 263 399 173 LEU HD2 H 0.701 0.020 2 264 400 174 LEU HB2 H 2.060 0.020 2 265 400 174 LEU HB3 H 1.460 0.020 2 266 400 174 LEU HG H 2.120 0.020 1 267 400 174 LEU HD1 H 0.960 0.020 2 268 400 174 LEU HD2 H 0.900 0.020 2 269 401 175 ALA HB H 1.424 0.020 1 270 402 176 ALA HB H 1.302 0.020 1 271 403 177 LEU HB2 H 1.990 0.020 2 272 403 177 LEU HB3 H 1.480 0.020 2 273 403 177 LEU HG H 1.750 0.020 1 274 403 177 LEU HD1 H 0.639 0.020 2 275 403 177 LEU HD2 H 0.842 0.020 2 276 404 178 ARG HB2 H 1.850 0.020 2 277 404 178 ARG HB3 H 1.990 0.020 2 278 404 178 ARG HG2 H 1.490 0.020 1 279 404 178 ARG HG3 H 1.490 0.020 1 280 404 178 ARG HD2 H 3.180 0.020 2 281 404 178 ARG HD3 H 3.260 0.020 2 282 404 178 ARG HE H 7.440 0.020 1 283 405 179 ARG HB2 H 1.780 0.020 2 284 405 179 ARG HB3 H 2.080 0.020 2 285 405 179 ARG HG2 H 1.500 0.020 1 286 405 179 ARG HG3 H 1.500 0.020 1 287 405 179 ARG HD2 H 3.230 0.020 2 288 405 179 ARG HD3 H 3.410 0.020 2 289 405 179 ARG HE H 8.288 0.020 1 290 406 180 ILE HB H 2.147 0.020 1 291 406 180 ILE HG12 H 1.380 0.020 2 292 406 180 ILE HG13 H 1.460 0.020 2 293 406 180 ILE HG2 H 0.728 0.020 1 294 406 180 ILE HD1 H 0.744 0.020 1 295 407 181 GLN HB2 H 2.320 0.020 2 296 407 181 GLN HB3 H 2.400 0.020 2 297 407 181 GLN HG2 H 2.270 0.020 2 298 407 181 GLN HG3 H 2.370 0.020 2 299 408 182 ARG HB2 H 1.610 0.020 2 300 408 182 ARG HB3 H 2.010 0.020 2 301 408 182 ARG HG2 H 1.500 0.020 2 302 408 182 ARG HG3 H 1.720 0.020 2 303 408 182 ARG HD2 H 3.470 0.020 1 304 408 182 ARG HD3 H 3.470 0.020 1 305 408 182 ARG HE H 9.420 0.020 1 306 409 183 ALA HB H 1.496 0.020 1 307 410 184 ASP HB2 H 2.600 0.020 2 308 410 184 ASP HB3 H 2.860 0.020 2 309 411 185 ILE HB H 2.000 0.020 1 310 411 185 ILE HG12 H 1.100 0.020 2 311 411 185 ILE HG13 H 1.810 0.020 2 312 411 185 ILE HG2 H 0.920 0.020 1 313 411 185 ILE HD1 H 0.785 0.020 1 314 412 186 VAL HB H 2.370 0.020 1 315 412 186 VAL HG1 H 1.010 0.020 2 316 412 186 VAL HG2 H 1.060 0.020 2 317 413 187 GLU HB2 H 2.090 0.020 1 318 413 187 GLU HB3 H 2.090 0.020 1 319 413 187 GLU HG2 H 2.310 0.020 2 320 413 187 GLU HG3 H 2.390 0.020 2 321 414 188 SER HB2 H 3.940 0.020 2 322 414 188 SER HB3 H 4.000 0.020 2 323 415 189 LEU HB2 H 1.940 0.020 2 324 415 189 LEU HB3 H 1.564 0.020 2 325 415 189 LEU HG H 1.770 0.020 1 326 415 189 LEU HD1 H 0.790 0.020 2 327 415 189 LEU HD2 H 0.880 0.020 2 328 416 190 CYS HB2 H 2.900 0.020 2 329 416 190 CYS HB3 H 3.080 0.020 2 330 417 191 SER HB2 H 3.980 0.020 2 331 417 191 SER HB3 H 4.010 0.020 2 332 418 192 GLU HB2 H 1.990 0.020 2 333 418 192 GLU HB3 H 2.150 0.020 2 334 418 192 GLU HG2 H 2.330 0.020 1 335 418 192 GLU HG3 H 2.330 0.020 1 336 421 195 ALA HB H 1.424 0.020 1 stop_ save_