data_34050 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of a Spumaretrovirus Gag central domain reveals an ancient retroviral capsid ; _BMRB_accession_number 34050 _BMRB_flat_file_name bmr34050.str _Entry_type original _Submission_date 2016-10-07 _Accession_date 2016-10-07 _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 Taylor I. A. . 2 Nicastro G. . . 3 Ball N. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 905 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-24 original BMRB . stop_ _Original_release_date 2016-10-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A unique spumavirus Gag N-terminal domain with functional properties of orthoretroviral matrix and capsid. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23675305 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goldstone D. C. . 2 Flower T. G. . 3 Ball N. J. . 4 Sanz-Ramos M. . . 5 Yap M. W. . 6 Ogrodowicz R. W. . 7 Stanke N. . . 8 Reh J. . . 9 Lindemann D. . . 10 Stoye J. P. . 11 Taylor I. A. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_volume 9 _Journal_issue 5 _Journal_ISSN 1553-7374 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1003376 _Page_last e1003376 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gag protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 19604.459 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; PIGTVIPIQHIRSVTGEPPR NPREIPIWLGRNAPAIDGVF PVTTPDLRCRIINAILGGNI GLSLTPGDCLTWDSAVATLF IRTHGTFPMHQLGNVIKGIV DQEGVATAYTLGMMLSGQNY QLVSGIIRGYLPGQAVVTAL QQRLDQEIDDQTRAETFIQH LNAVYEILGLNARGQSIRLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 300 PRO 2 301 ILE 3 302 GLY 4 303 THR 5 304 VAL 6 305 ILE 7 306 PRO 8 307 ILE 9 308 GLN 10 309 HIS 11 310 ILE 12 311 ARG 13 312 SER 14 313 VAL 15 314 THR 16 315 GLY 17 316 GLU 18 317 PRO 19 318 PRO 20 319 ARG 21 320 ASN 22 321 PRO 23 322 ARG 24 323 GLU 25 324 ILE 26 325 PRO 27 326 ILE 28 327 TRP 29 328 LEU 30 329 GLY 31 330 ARG 32 331 ASN 33 332 ALA 34 333 PRO 35 334 ALA 36 335 ILE 37 336 ASP 38 337 GLY 39 338 VAL 40 339 PHE 41 340 PRO 42 341 VAL 43 342 THR 44 343 THR 45 344 PRO 46 345 ASP 47 346 LEU 48 347 ARG 49 348 CYS 50 349 ARG 51 350 ILE 52 351 ILE 53 352 ASN 54 353 ALA 55 354 ILE 56 355 LEU 57 356 GLY 58 357 GLY 59 358 ASN 60 359 ILE 61 360 GLY 62 361 LEU 63 362 SER 64 363 LEU 65 364 THR 66 365 PRO 67 366 GLY 68 367 ASP 69 368 CYS 70 369 LEU 71 370 THR 72 371 TRP 73 372 ASP 74 373 SER 75 374 ALA 76 375 VAL 77 376 ALA 78 377 THR 79 378 LEU 80 379 PHE 81 380 ILE 82 381 ARG 83 382 THR 84 383 HIS 85 384 GLY 86 385 THR 87 386 PHE 88 387 PRO 89 388 MET 90 389 HIS 91 390 GLN 92 391 LEU 93 392 GLY 94 393 ASN 95 394 VAL 96 395 ILE 97 396 LYS 98 397 GLY 99 398 ILE 100 399 VAL 101 400 ASP 102 401 GLN 103 402 GLU 104 403 GLY 105 404 VAL 106 405 ALA 107 406 THR 108 407 ALA 109 408 TYR 110 409 THR 111 410 LEU 112 411 GLY 113 412 MET 114 413 MET 115 414 LEU 116 415 SER 117 416 GLY 118 417 GLN 119 418 ASN 120 419 TYR 121 420 GLN 122 421 LEU 123 422 VAL 124 423 SER 125 424 GLY 126 425 ILE 127 426 ILE 128 427 ARG 129 428 GLY 130 429 TYR 131 430 LEU 132 431 PRO 133 432 GLY 134 433 GLN 135 434 ALA 136 435 VAL 137 436 VAL 138 437 THR 139 438 ALA 140 439 LEU 141 440 GLN 142 441 GLN 143 442 ARG 144 443 LEU 145 444 ASP 146 445 GLN 147 446 GLU 148 447 ILE 149 448 ASP 150 449 ASP 151 450 GLN 152 451 THR 153 452 ARG 154 453 ALA 155 454 GLU 156 455 THR 157 456 PHE 158 457 ILE 159 458 GLN 160 459 HIS 161 460 LEU 162 461 ASN 163 462 ALA 164 463 VAL 165 464 TYR 166 465 GLU 167 466 ILE 168 467 LEU 169 468 GLY 170 469 LEU 171 470 ASN 172 471 ALA 173 472 ARG 174 473 GLY 175 474 GLN 176 475 SER 177 476 ILE 178 477 ARG 179 478 LEU 180 479 GLU 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 _Gene_mnemonic $entity_1 SFVcpz(hu) 11963 Viruses . Human spumaretrovirus gag 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_type _Vector_name $entity_1 'recombinant technology' . . . . 'Rosetta 2' Plasmid PET47B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.3 mM [U-13C; U-15N] protein, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM '[U-13C; U-15N]' NaCl 20 mM 'natural abundance' Tris 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 6 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 40 . mM pH 7.0 . pH pressure 1 . Pa temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 H 1 protons ppm 4.78 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 301 2 ILE HA H 4.185 0.000 . 2 302 3 GLY H H 8.507 0.000 . 3 302 3 GLY HA2 H 3.940 0.000 . 4 302 3 GLY HA3 H 4.031 0.006 . 5 302 3 GLY N N 113.107 0.000 . 6 303 4 THR H H 8.102 0.001 . 7 303 4 THR HA H 4.272 0.000 . 8 303 4 THR HB H 4.079 0.000 . 9 303 4 THR HG2 H 1.229 0.000 . 10 303 4 THR N N 115.638 0.000 . 11 304 5 VAL H H 8.307 0.001 . 12 304 5 VAL HA H 4.039 0.000 . 13 304 5 VAL HB H 1.984 0.000 . 14 304 5 VAL HG1 H 0.928 0.000 . 15 304 5 VAL HG2 H 0.843 0.000 . 16 304 5 VAL N N 125.199 0.000 . 17 305 6 ILE H H 8.351 0.001 . 18 305 6 ILE HA H 3.871 0.000 . 19 305 6 ILE HB H 1.587 0.000 . 20 305 6 ILE HG12 H 1.503 0.000 . 21 305 6 ILE HG13 H 0.918 0.000 . 22 305 6 ILE HG2 H 0.448 0.001 . 23 305 6 ILE HD1 H 0.709 0.000 . 24 305 6 ILE N N 126.043 0.000 . 25 306 7 PRO HB2 H 2.368 0.000 . 26 306 7 PRO HB3 H 1.875 0.000 . 27 306 7 PRO HD2 H 3.404 0.000 . 28 306 7 PRO HD3 H 2.505 0.000 . 29 307 8 ILE H H 8.196 0.001 . 30 307 8 ILE HA H 3.725 0.003 . 31 307 8 ILE HB H 1.736 0.000 . 32 307 8 ILE HG12 H 1.355 0.000 . 33 307 8 ILE HG13 H 1.291 0.000 . 34 307 8 ILE HG2 H 0.905 0.000 . 35 307 8 ILE HD1 H 0.808 0.000 . 36 307 8 ILE N N 124.918 0.000 . 37 308 9 GLN H H 8.667 0.002 . 38 308 9 GLN HA H 4.047 0.001 . 39 308 9 GLN HB2 H 2.078 0.000 . 40 308 9 GLN HB3 H 2.015 0.007 . 41 308 9 GLN HG2 H 2.410 0.004 . 42 308 9 GLN HG3 H 2.351 0.005 . 43 308 9 GLN HE21 H 7.498 0.002 . 44 308 9 GLN HE22 H 6.895 0.001 . 45 308 9 GLN N N 120.981 0.000 . 46 308 9 GLN NE2 N 112.263 0.000 . 47 309 10 HIS H H 7.895 0.002 . 48 309 10 HIS HA H 4.547 0.000 . 49 309 10 HIS HB2 H 3.233 0.003 . 50 309 10 HIS HB3 H 3.175 0.000 . 51 309 10 HIS N N 120.700 0.000 . 52 310 11 ILE H H 8.141 0.002 . 53 310 11 ILE HA H 3.461 0.000 . 54 310 11 ILE HB H 1.876 0.000 . 55 310 11 ILE HG12 H 1.786 0.000 . 56 310 11 ILE HG13 H 0.904 0.000 . 57 310 11 ILE HG2 H 0.828 0.000 . 58 310 11 ILE HD1 H 0.654 0.000 . 59 310 11 ILE N N 119.294 0.000 . 60 311 12 ARG H H 8.621 0.002 . 61 311 12 ARG HA H 4.341 0.000 . 62 311 12 ARG HB2 H 1.879 0.000 . 63 311 12 ARG HB3 H 1.829 0.000 . 64 311 12 ARG HG2 H 1.750 0.000 . 65 311 12 ARG HG3 H 1.618 0.000 . 66 311 12 ARG HD2 H 3.142 0.000 . 67 311 12 ARG HD3 H 3.142 0.000 . 68 311 12 ARG N N 118.731 0.000 . 69 312 13 SER H H 7.932 0.000 . 70 312 13 SER HA H 4.244 0.000 . 71 312 13 SER HB2 H 4.052 0.000 . 72 312 13 SER HB3 H 4.052 0.000 . 73 312 13 SER N N 115.919 0.000 . 74 313 14 VAL H H 7.512 0.002 . 75 313 14 VAL HA H 4.068 0.000 . 76 313 14 VAL HB H 2.165 0.000 . 77 313 14 VAL HG1 H 0.890 0.000 . 78 313 14 VAL HG2 H 0.818 0.000 . 79 313 14 VAL N N 119.013 0.000 . 80 314 15 THR H H 8.264 0.001 . 81 314 15 THR HA H 3.956 0.000 . 82 314 15 THR HB H 4.070 0.000 . 83 314 15 THR HG2 H 0.811 0.000 . 84 314 15 THR N N 110.013 0.000 . 85 315 16 GLY H H 8.070 0.001 . 86 315 16 GLY HA2 H 3.959 0.000 . 87 315 16 GLY HA3 H 4.353 0.000 . 88 315 16 GLY N N 110.013 0.000 . 89 316 17 GLU H H 8.549 0.001 . 90 316 17 GLU HA H 4.409 0.000 . 91 316 17 GLU HB2 H 1.878 0.000 . 92 316 17 GLU HB3 H 1.754 0.000 . 93 316 17 GLU HG2 H 2.299 0.000 . 94 316 17 GLU HG3 H 2.228 0.000 . 95 316 17 GLU N N 119.294 0.000 . 96 317 18 PRO HD2 H 3.547 0.000 . 97 317 18 PRO HD3 H 3.547 0.000 . 98 318 19 PRO HD2 H 2.247 0.000 . 99 319 20 ARG H H 8.009 0.000 . 100 319 20 ARG HA H 3.949 0.000 . 101 319 20 ARG HB2 H 1.756 0.000 . 102 319 20 ARG HB3 H 1.650 0.000 . 103 319 20 ARG HG2 H 1.617 0.000 . 104 319 20 ARG HD2 H 3.104 0.000 . 105 319 20 ARG HD3 H 3.104 0.000 . 106 319 20 ARG N N 118.450 0.000 . 107 320 21 ASN H H 7.595 0.001 . 108 320 21 ASN HB2 H 2.898 0.005 . 109 320 21 ASN HB3 H 2.746 0.002 . 110 320 21 ASN HD21 H 7.802 0.002 . 111 320 21 ASN HD22 H 6.964 0.003 . 112 320 21 ASN N N 118.169 0.000 . 113 320 21 ASN ND2 N 112.544 0.000 . 114 321 22 PRO HA H 4.068 0.000 . 115 321 22 PRO HB2 H 2.268 0.000 . 116 321 22 PRO HB3 H 1.990 0.000 . 117 321 22 PRO HG2 H 2.081 0.000 . 118 321 22 PRO HD2 H 4.205 0.000 . 119 321 22 PRO HD3 H 3.881 0.000 . 120 322 23 ARG H H 7.648 0.001 . 121 322 23 ARG HA H 3.760 0.000 . 122 322 23 ARG HB2 H 1.742 0.000 . 123 322 23 ARG HB3 H 1.545 0.000 . 124 322 23 ARG HG2 H 1.489 0.000 . 125 322 23 ARG HG3 H 0.760 0.000 . 126 322 23 ARG HD2 H 2.990 0.000 . 127 322 23 ARG HD3 H 2.818 0.000 . 128 322 23 ARG N N 112.263 0.000 . 129 323 24 GLU H H 7.896 0.002 . 130 323 24 GLU HA H 4.362 0.000 . 131 323 24 GLU HB2 H 2.240 0.000 . 132 323 24 GLU HB3 H 2.009 0.002 . 133 323 24 GLU HG2 H 2.318 0.000 . 134 323 24 GLU HG3 H 2.244 0.000 . 135 323 24 GLU N N 116.200 0.000 . 136 324 25 ILE H H 7.620 0.001 . 137 324 25 ILE HA H 3.774 0.000 . 138 324 25 ILE HG2 H 0.978 0.000 . 139 324 25 ILE HD1 H 0.797 0.000 . 140 324 25 ILE N N 120.419 0.000 . 141 325 26 PRO HD2 H 3.905 0.000 . 142 325 26 PRO HD3 H 3.815 0.000 . 143 326 27 ILE H H 7.238 0.002 . 144 326 27 ILE HA H 3.757 0.000 . 145 326 27 ILE HB H 1.963 0.003 . 146 326 27 ILE HG12 H 1.571 0.000 . 147 326 27 ILE HG13 H 1.303 0.000 . 148 326 27 ILE HG2 H 0.965 0.002 . 149 326 27 ILE N N 114.794 0.000 . 150 327 28 TRP H H 7.880 0.001 . 151 327 28 TRP HA H 4.080 0.000 . 152 327 28 TRP HB2 H 3.472 0.000 . 153 327 28 TRP HB3 H 3.328 0.000 . 154 327 28 TRP HD1 H 7.310 0.000 . 155 327 28 TRP HE3 H 7.452 0.003 . 156 327 28 TRP N N 122.106 0.000 . 157 328 29 LEU H H 9.144 0.001 . 158 328 29 LEU HA H 3.534 0.000 . 159 328 29 LEU HB2 H 1.974 0.000 . 160 328 29 LEU HB3 H 1.594 0.000 . 161 328 29 LEU HG H 1.547 0.000 . 162 328 29 LEU HD1 H 0.978 0.000 . 163 328 29 LEU HD2 H 0.844 0.000 . 164 328 29 LEU N N 120.700 0.000 . 165 329 30 GLY H H 8.196 0.000 . 166 329 30 GLY HA2 H 3.474 0.000 . 167 329 30 GLY HA3 H 3.724 0.000 . 168 329 30 GLY N N 104.952 0.000 . 169 330 31 ARG H H 8.065 0.001 . 170 330 31 ARG HA H 3.923 0.000 . 171 330 31 ARG HB2 H 1.718 0.000 . 172 330 31 ARG HB3 H 1.664 0.000 . 173 330 31 ARG HG3 H 1.529 0.000 . 174 330 31 ARG HD2 H 3.069 0.000 . 175 330 31 ARG HD3 H 3.069 0.000 . 176 330 31 ARG N N 118.169 0.000 . 177 331 32 ASN H H 7.192 0.001 . 178 331 32 ASN HA H 4.333 0.004 . 179 331 32 ASN HB2 H 1.874 0.002 . 180 331 32 ASN HB3 H 1.629 0.007 . 181 331 32 ASN HD21 H 5.872 0.001 . 182 331 32 ASN HD22 H 5.380 0.001 . 183 331 32 ASN N N 114.513 0.000 . 184 331 32 ASN ND2 N 111.138 0.000 . 185 332 33 ALA H H 7.373 0.001 . 186 332 33 ALA HA H 2.826 0.005 . 187 332 33 ALA HB H 0.130 0.001 . 188 332 33 ALA N N 125.199 0.000 . 189 333 34 PRO HA H 4.205 0.000 . 190 333 34 PRO HB2 H 2.180 0.000 . 191 333 34 PRO HB3 H 1.661 0.000 . 192 333 34 PRO HG2 H 1.874 0.000 . 193 333 34 PRO HG3 H 1.773 0.000 . 194 333 34 PRO HD2 H 3.294 0.001 . 195 333 34 PRO HD3 H 3.294 0.001 . 196 334 35 ALA H H 6.962 0.002 . 197 334 35 ALA HA H 4.012 0.002 . 198 334 35 ALA HB H 1.266 0.000 . 199 334 35 ALA N N 120.419 0.000 . 200 335 36 ILE H H 7.728 0.002 . 201 335 36 ILE HA H 3.327 0.001 . 202 335 36 ILE HB H 1.856 0.000 . 203 335 36 ILE HG12 H 1.510 0.000 . 204 335 36 ILE HG13 H 0.485 0.000 . 205 335 36 ILE HG2 H 1.128 0.000 . 206 335 36 ILE HD1 H 0.387 0.004 . 207 335 36 ILE N N 119.294 0.000 . 208 336 37 ASP H H 8.021 0.002 . 209 336 37 ASP HB2 H 2.607 0.000 . 210 336 37 ASP HB3 H 2.607 0.000 . 211 336 37 ASP N N 118.450 0.000 . 212 337 38 GLY H H 7.553 0.002 . 213 337 38 GLY HA2 H 3.733 0.000 . 214 337 38 GLY HA3 H 3.884 0.001 . 215 337 38 GLY N N 103.264 0.000 . 216 338 39 VAL H H 7.474 0.002 . 217 338 39 VAL HA H 4.137 0.000 . 218 338 39 VAL HB H 2.100 0.001 . 219 338 39 VAL HG1 H 0.747 0.002 . 220 338 39 VAL HG2 H 0.892 0.004 . 221 338 39 VAL N N 117.325 0.000 . 222 339 40 PHE H H 8.337 0.002 . 223 339 40 PHE HB2 H 2.914 0.000 . 224 339 40 PHE HB3 H 2.764 0.000 . 225 339 40 PHE HD1 H 7.256 0.000 . 226 339 40 PHE HD2 H 7.256 0.000 . 227 339 40 PHE N N 122.950 0.000 . 228 340 41 PRO HA H 4.398 0.000 . 229 340 41 PRO HB2 H 2.072 0.000 . 230 340 41 PRO HB3 H 1.738 0.000 . 231 340 41 PRO HG2 H 1.856 0.000 . 232 340 41 PRO HD2 H 3.443 0.000 . 233 340 41 PRO HD3 H 3.100 0.000 . 234 341 42 VAL H H 8.606 0.001 . 235 341 42 VAL HA H 3.943 0.004 . 236 341 42 VAL HB H 2.352 0.000 . 237 341 42 VAL HG1 H 1.168 0.000 . 238 341 42 VAL HG2 H 0.608 0.000 . 239 341 42 VAL N N 125.762 0.000 . 240 342 43 THR H H 7.499 0.000 . 241 342 43 THR HA H 4.329 0.000 . 242 342 43 THR HG2 H 1.056 0.000 . 243 342 43 THR N N 113.669 0.000 . 244 343 44 THR H H 7.014 0.007 . 245 343 44 THR HG2 H 1.203 0.000 . 246 343 44 THR N N 109.732 0.000 . 247 344 45 PRO HB2 H 2.127 0.000 . 248 344 45 PRO HB3 H 1.745 0.000 . 249 344 45 PRO HG3 H 1.876 0.000 . 250 344 45 PRO HD2 H 3.946 0.002 . 251 344 45 PRO HD3 H 3.812 0.000 . 252 345 46 ASP H H 7.918 0.001 . 253 345 46 ASP HA H 4.070 0.002 . 254 345 46 ASP HB2 H 2.587 0.002 . 255 345 46 ASP HB3 H 2.463 0.001 . 256 345 46 ASP N N 115.357 0.000 . 257 346 47 LEU H H 7.667 0.002 . 258 346 47 LEU HA H 3.965 0.002 . 259 346 47 LEU HB2 H 1.819 0.003 . 260 346 47 LEU HB3 H 1.433 0.005 . 261 346 47 LEU HG H 1.699 0.007 . 262 346 47 LEU HD1 H 1.081 0.001 . 263 346 47 LEU HD2 H 0.962 0.000 . 264 346 47 LEU N N 119.856 0.000 . 265 347 48 ARG H H 7.901 0.002 . 266 347 48 ARG HA H 3.276 0.003 . 267 347 48 ARG HB3 H 1.246 0.005 . 268 347 48 ARG N N 119.013 0.000 . 269 348 49 CYS H H 8.203 0.002 . 270 348 49 CYS HA H 3.962 0.000 . 271 348 49 CYS HB2 H 2.922 0.000 . 272 348 49 CYS HB3 H 2.588 0.000 . 273 348 49 CYS N N 117.325 0.000 . 274 349 50 ARG H H 7.900 0.001 . 275 349 50 ARG HA H 3.974 0.000 . 276 349 50 ARG HB2 H 1.821 0.000 . 277 349 50 ARG HB3 H 1.821 0.000 . 278 349 50 ARG HG2 H 1.909 0.000 . 279 349 50 ARG HG3 H 1.643 0.000 . 280 349 50 ARG HD2 H 3.112 0.000 . 281 349 50 ARG HD3 H 3.112 0.000 . 282 349 50 ARG N N 118.169 0.000 . 283 350 51 ILE H H 8.250 0.001 . 284 350 51 ILE HA H 3.523 0.000 . 285 350 51 ILE HB H 2.013 0.000 . 286 350 51 ILE HG12 H 1.906 0.000 . 287 350 51 ILE HG13 H 0.732 0.000 . 288 350 51 ILE HG2 H 0.992 0.000 . 289 350 51 ILE HD1 H 0.869 0.000 . 290 350 51 ILE N N 119.294 0.000 . 291 351 52 ILE H H 8.378 0.002 . 292 351 52 ILE HA H 3.485 0.000 . 293 351 52 ILE HB H 1.776 0.000 . 294 351 52 ILE HG2 H 0.983 0.000 . 295 351 52 ILE HD1 H 0.875 0.000 . 296 351 52 ILE N N 119.575 0.000 . 297 352 53 ASN H H 8.679 0.002 . 298 352 53 ASN HA H 4.434 0.000 . 299 352 53 ASN HB2 H 2.797 0.004 . 300 352 53 ASN HB3 H 2.797 0.004 . 301 352 53 ASN HD21 H 7.336 0.001 . 302 352 53 ASN HD22 H 7.111 0.001 . 303 352 53 ASN N N 116.200 0.000 . 304 352 53 ASN ND2 N 109.732 0.000 . 305 353 54 ALA H H 7.751 0.001 . 306 353 54 ALA HA H 4.259 0.002 . 307 353 54 ALA HB H 1.525 0.002 . 308 353 54 ALA N N 121.262 0.000 . 309 354 55 ILE H H 8.378 0.001 . 310 354 55 ILE HA H 4.000 0.000 . 311 354 55 ILE HB H 2.165 0.000 . 312 354 55 ILE HG12 H 1.780 0.002 . 313 354 55 ILE HG13 H 1.546 0.000 . 314 354 55 ILE HG2 H 1.067 0.000 . 315 354 55 ILE HD1 H 0.835 0.000 . 316 354 55 ILE N N 118.169 0.000 . 317 355 56 LEU H H 8.292 0.001 . 318 355 56 LEU HA H 4.326 0.000 . 319 355 56 LEU HB2 H 2.035 0.000 . 320 355 56 LEU HB3 H 1.538 0.000 . 321 355 56 LEU HG H 0.937 0.000 . 322 355 56 LEU HD1 H 0.832 0.000 . 323 355 56 LEU N N 117.888 0.000 . 324 356 57 GLY H H 7.504 0.001 . 325 356 57 GLY HA2 H 3.849 0.000 . 326 356 57 GLY HA3 H 3.966 0.000 . 327 356 57 GLY N N 106.920 0.000 . 328 357 58 GLY H H 8.539 0.002 . 329 357 58 GLY HA2 H 3.819 0.000 . 330 357 58 GLY HA3 H 3.928 0.000 . 331 357 58 GLY N N 108.889 0.000 . 332 358 59 ASN H H 7.892 0.001 . 333 358 59 ASN HB2 H 2.705 0.000 . 334 358 59 ASN HB3 H 2.631 0.000 . 335 358 59 ASN HD21 H 7.511 0.003 . 336 358 59 ASN HD22 H 6.959 0.002 . 337 358 59 ASN N N 119.013 0.000 . 338 358 59 ASN ND2 N 112.544 0.000 . 339 359 60 ILE H H 8.284 0.001 . 340 359 60 ILE HA H 4.047 0.000 . 341 359 60 ILE HB H 1.883 0.000 . 342 359 60 ILE HG12 H 1.445 0.000 . 343 359 60 ILE HG13 H 1.202 0.000 . 344 359 60 ILE HG2 H 0.900 0.000 . 345 359 60 ILE HD1 H 0.831 0.000 . 346 359 60 ILE N N 121.544 0.000 . 347 360 61 GLY H H 8.422 0.002 . 348 360 61 GLY HA2 H 3.844 0.000 . 349 360 61 GLY HA3 H 3.940 0.000 . 350 360 61 GLY N N 110.857 0.000 . 351 361 62 LEU H H 7.601 0.001 . 352 361 62 LEU HA H 4.358 0.000 . 353 361 62 LEU HB2 H 1.612 0.000 . 354 361 62 LEU HB3 H 1.468 0.000 . 355 361 62 LEU HG H 1.480 0.000 . 356 361 62 LEU HD1 H 0.819 0.000 . 357 361 62 LEU HD2 H 0.697 0.000 . 358 361 62 LEU N N 119.294 0.000 . 359 362 63 SER H H 7.507 0.001 . 360 362 63 SER HA H 4.160 0.000 . 361 362 63 SER HB2 H 3.753 0.000 . 362 362 63 SER HB3 H 3.709 0.000 . 363 362 63 SER N N 113.669 0.000 . 364 363 64 LEU H H 9.101 0.003 . 365 363 64 LEU HB2 H 1.638 0.000 . 366 363 64 LEU HB3 H 1.503 0.000 . 367 363 64 LEU HG H 0.904 0.000 . 368 363 64 LEU HD1 H 1.804 0.000 . 369 363 64 LEU HD2 H 0.808 0.000 . 370 363 64 LEU N N 124.918 0.000 . 371 364 65 THR H H 9.065 0.001 . 372 364 65 THR HB H 4.392 0.000 . 373 364 65 THR HG2 H 1.163 0.002 . 374 364 65 THR N N 112.826 0.000 . 375 365 66 PRO HA H 3.777 0.000 . 376 365 66 PRO HB2 H 1.922 0.000 . 377 366 67 GLY H H 8.234 0.002 . 378 366 67 GLY HA2 H 3.736 0.000 . 379 366 67 GLY HA3 H 3.736 0.000 . 380 366 67 GLY N N 103.264 0.000 . 381 367 68 ASP H H 7.742 0.002 . 382 367 68 ASP HB2 H 3.074 0.000 . 383 367 68 ASP HB3 H 2.960 0.000 . 384 367 68 ASP N N 117.888 0.000 . 385 368 69 CYS H H 7.566 0.002 . 386 368 69 CYS HA H 4.321 0.000 . 387 368 69 CYS HB2 H 2.910 0.000 . 388 368 69 CYS HB3 H 2.584 0.000 . 389 368 69 CYS N N 113.951 0.000 . 390 369 70 LEU H H 7.398 0.001 . 391 369 70 LEU HA H 3.722 0.011 . 392 369 70 LEU HB2 H 1.719 0.001 . 393 369 70 LEU HB3 H 1.490 0.002 . 394 369 70 LEU HD1 H 0.913 0.005 . 395 369 70 LEU HD2 H 0.847 0.006 . 396 369 70 LEU N N 122.106 0.000 . 397 370 71 THR H H 8.051 0.001 . 398 370 71 THR HA H 4.298 0.000 . 399 370 71 THR HG1 H 5.725 0.004 . 400 370 71 THR HG2 H 1.106 0.000 . 401 370 71 THR N N 104.108 0.000 . 402 371 72 TRP H H 9.049 0.001 . 403 371 72 TRP HB2 H 3.233 0.000 . 404 371 72 TRP HB3 H 3.071 0.000 . 405 371 72 TRP HD1 H 7.492 0.000 . 406 371 72 TRP N N 120.137 0.000 . 407 372 73 ASP H H 8.305 0.001 . 408 372 73 ASP HA H 4.302 0.000 . 409 372 73 ASP HB2 H 2.731 0.003 . 410 372 73 ASP HB3 H 2.679 0.002 . 411 372 73 ASP N N 115.919 0.000 . 412 373 74 SER H H 8.770 0.002 . 413 373 74 SER HA H 4.302 0.002 . 414 373 74 SER HB2 H 4.049 0.000 . 415 373 74 SER HB3 H 3.693 0.004 . 416 373 74 SER N N 117.044 0.000 . 417 374 75 ALA H H 7.784 0.001 . 418 374 75 ALA HA H 4.145 0.001 . 419 374 75 ALA HB H 1.485 0.002 . 420 374 75 ALA N N 131.105 0.000 . 421 375 76 VAL H H 8.613 0.002 . 422 375 76 VAL HA H 3.483 0.000 . 423 375 76 VAL HB H 2.289 0.002 . 424 375 76 VAL HG1 H 1.167 0.001 . 425 375 76 VAL HG2 H 0.917 0.000 . 426 375 76 VAL N N 119.013 0.000 . 427 376 77 ALA H H 8.618 0.002 . 428 376 77 ALA HA H 4.138 0.004 . 429 376 77 ALA HB H 1.391 0.000 . 430 376 77 ALA N N 122.106 0.000 . 431 377 78 THR H H 8.292 0.001 . 432 377 78 THR HA H 3.892 0.000 . 433 377 78 THR HB H 4.383 0.000 . 434 377 78 THR HG2 H 1.142 0.000 . 435 377 78 THR N N 115.075 0.000 . 436 378 79 LEU H H 8.365 0.000 . 437 378 79 LEU HA H 4.022 0.000 . 438 378 79 LEU HB2 H 2.138 0.007 . 439 378 79 LEU HB3 H 1.205 0.008 . 440 378 79 LEU HD2 H 0.875 0.000 . 441 378 79 LEU N N 120.981 0.000 . 442 379 80 PHE H H 9.210 0.002 . 443 379 80 PHE HA H 4.006 0.000 . 444 379 80 PHE HB2 H 3.551 0.013 . 445 379 80 PHE HB3 H 3.115 0.001 . 446 379 80 PHE HD1 H 6.892 0.000 . 447 379 80 PHE HD2 H 6.892 0.000 . 448 379 80 PHE N N 123.793 0.000 . 449 380 81 ILE H H 8.327 0.001 . 450 380 81 ILE HA H 3.806 0.000 . 451 380 81 ILE HB H 2.118 0.000 . 452 380 81 ILE HG12 H 1.816 0.000 . 453 380 81 ILE HG13 H 1.366 0.000 . 454 380 81 ILE HG2 H 0.967 0.000 . 455 380 81 ILE HD1 H 0.937 0.000 . 456 380 81 ILE N N 120.700 0.000 . 457 381 82 ARG H H 8.272 0.003 . 458 381 82 ARG HA H 4.121 0.000 . 459 381 82 ARG HB2 H 1.995 0.000 . 460 381 82 ARG HB3 H 1.941 0.000 . 461 381 82 ARG HG2 H 1.835 0.000 . 462 381 82 ARG HG3 H 1.768 0.000 . 463 381 82 ARG N N 118.169 0.000 . 464 382 83 THR H H 7.655 0.004 . 465 382 83 THR HA H 4.298 0.000 . 466 382 83 THR HB H 3.841 0.000 . 467 382 83 THR HG2 H 1.226 0.000 . 468 382 83 THR N N 104.952 0.000 . 469 383 84 HIS HA H 4.407 0.000 . 470 383 84 HIS HB3 H 3.008 0.000 . 471 384 85 GLY H H 8.005 0.001 . 472 384 85 GLY HA2 H 3.854 0.000 . 473 384 85 GLY HA3 H 4.236 0.000 . 474 384 85 GLY N N 108.889 0.000 . 475 385 86 THR H H 7.674 0.001 . 476 385 86 THR HA H 4.238 0.000 . 477 385 86 THR HB H 4.049 0.000 . 478 385 86 THR HG2 H 1.054 0.000 . 479 385 86 THR N N 111.420 0.000 . 480 386 87 PHE H H 8.184 0.003 . 481 386 87 PHE HB2 H 2.980 0.000 . 482 386 87 PHE HB3 H 2.897 0.000 . 483 386 87 PHE HD1 H 7.132 0.000 . 484 386 87 PHE HD2 H 7.132 0.000 . 485 386 87 PHE N N 120.700 0.000 . 486 388 89 MET H H 8.610 0.003 . 487 388 89 MET HA H 4.269 0.000 . 488 388 89 MET HB2 H 2.146 0.000 . 489 388 89 MET HB3 H 2.019 0.000 . 490 388 89 MET HG2 H 2.757 0.000 . 491 388 89 MET HG3 H 2.591 0.000 . 492 388 89 MET N N 120.700 0.000 . 493 389 90 HIS HA H 4.539 0.000 . 494 390 91 GLN H H 7.673 0.003 . 495 390 91 GLN HA H 4.542 0.000 . 496 390 91 GLN HB3 H 1.622 0.000 . 497 390 91 GLN HG2 H 2.079 0.000 . 498 390 91 GLN HG3 H 1.817 0.000 . 499 390 91 GLN N N 118.169 0.000 . 500 391 92 LEU H H 7.740 0.001 . 501 391 92 LEU HA H 3.873 0.001 . 502 391 92 LEU HB2 H 1.726 0.000 . 503 391 92 LEU HB3 H 1.726 0.000 . 504 391 92 LEU HG H 0.715 0.000 . 505 391 92 LEU HD2 H 0.676 0.000 . 506 391 92 LEU N N 121.262 0.000 . 507 392 93 GLY H H 8.817 0.001 . 508 392 93 GLY HA2 H 3.658 0.000 . 509 392 93 GLY HA3 H 4.047 0.001 . 510 392 93 GLY N N 106.639 0.000 . 511 393 94 ASN H H 7.896 0.001 . 512 393 94 ASN HA H 4.442 0.002 . 513 393 94 ASN HB2 H 2.878 0.005 . 514 393 94 ASN HB3 H 2.812 0.002 . 515 393 94 ASN HD21 H 7.708 0.002 . 516 393 94 ASN HD22 H 6.940 0.002 . 517 393 94 ASN N N 120.137 0.000 . 518 393 94 ASN ND2 N 112.685 0.141 . 519 394 95 VAL H H 7.723 0.002 . 520 394 95 VAL HA H 3.643 0.002 . 521 394 95 VAL HB H 2.030 0.000 . 522 394 95 VAL HG1 H 0.841 0.000 . 523 394 95 VAL HG2 H 0.599 0.000 . 524 394 95 VAL N N 121.262 0.000 . 525 395 96 ILE H H 8.441 0.001 . 526 395 96 ILE HA H 3.405 0.005 . 527 395 96 ILE HB H 1.960 0.002 . 528 395 96 ILE HG12 H 1.621 0.000 . 529 395 96 ILE HG13 H 0.941 0.000 . 530 395 96 ILE HG2 H 0.733 0.000 . 531 395 96 ILE HD1 H 0.682 0.000 . 532 395 96 ILE N N 119.013 0.000 . 533 396 97 LYS H H 8.157 0.002 . 534 396 97 LYS HA H 3.155 0.005 . 535 396 97 LYS HB2 H 1.723 0.000 . 536 396 97 LYS HB3 H 1.723 0.000 . 537 396 97 LYS HG2 H 1.069 0.000 . 538 396 97 LYS HG3 H 1.069 0.000 . 539 396 97 LYS HD2 H 1.576 0.000 . 540 396 97 LYS HE3 H 2.839 0.002 . 541 396 97 LYS N N 121.262 0.000 . 542 397 98 GLY H H 7.398 0.002 . 543 397 98 GLY HA2 H 3.858 0.000 . 544 397 98 GLY HA3 H 3.933 0.000 . 545 397 98 GLY N N 102.702 0.000 . 546 398 99 ILE H H 7.457 0.002 . 547 398 99 ILE HA H 3.794 0.008 . 548 398 99 ILE HB H 1.765 0.000 . 549 398 99 ILE HG12 H 1.670 0.000 . 550 398 99 ILE HG13 H 1.103 0.000 . 551 398 99 ILE HG2 H 0.733 0.000 . 552 398 99 ILE HD1 H 0.620 0.000 . 553 398 99 ILE N N 120.419 0.000 . 554 399 100 VAL H H 8.690 0.003 . 555 399 100 VAL HA H 3.109 0.000 . 556 399 100 VAL HB H 2.028 0.003 . 557 399 100 VAL HG1 H 0.713 0.000 . 558 399 100 VAL HG2 H 0.838 0.000 . 559 399 100 VAL N N 122.950 0.000 . 560 400 101 ASP H H 7.935 0.001 . 561 400 101 ASP HA H 4.279 0.003 . 562 400 101 ASP HB2 H 2.714 0.000 . 563 400 101 ASP HB3 H 2.621 0.001 . 564 400 101 ASP N N 117.606 0.000 . 565 401 102 GLN H H 7.436 0.002 . 566 401 102 GLN HA H 4.298 0.003 . 567 401 102 GLN HB2 H 2.148 0.000 . 568 401 102 GLN HB3 H 2.061 0.000 . 569 401 102 GLN HG2 H 2.423 0.003 . 570 401 102 GLN HG3 H 2.423 0.003 . 571 401 102 GLN HE21 H 7.870 0.002 . 572 401 102 GLN HE22 H 6.843 0.010 . 573 401 102 GLN N N 115.919 0.000 . 574 401 102 GLN NE2 N 112.544 0.000 . 575 402 103 GLU H H 8.888 0.001 . 576 402 103 GLU HB2 H 2.185 0.085 . 577 402 103 GLU HB3 H 1.787 0.000 . 578 402 103 GLU HG2 H 2.234 0.048 . 579 402 103 GLU HG3 H 2.141 0.041 . 580 402 103 GLU N N 114.513 0.000 . 581 403 104 GLY H H 8.161 0.001 . 582 403 104 GLY HA2 H 4.070 0.002 . 583 403 104 GLY HA3 H 4.070 0.002 . 584 403 104 GLY N N 110.013 0.000 . 585 404 105 VAL H H 8.570 0.002 . 586 404 105 VAL HA H 3.517 0.001 . 587 404 105 VAL HB H 2.092 0.000 . 588 404 105 VAL HG1 H 1.132 0.002 . 589 404 105 VAL HG2 H 0.968 0.000 . 590 404 105 VAL N N 117.044 0.000 . 591 405 106 ALA H H 8.956 0.004 . 592 405 106 ALA HA H 3.882 0.010 . 593 405 106 ALA HB H 1.431 0.002 . 594 405 106 ALA N N 122.950 0.000 . 595 406 107 THR H H 8.315 0.002 . 596 406 107 THR HA H 3.824 0.008 . 597 406 107 THR HB H 3.682 0.002 . 598 406 107 THR HG2 H 1.052 0.001 . 599 406 107 THR N N 114.513 0.000 . 600 407 108 ALA H H 7.542 0.002 . 601 407 108 ALA HA H 3.702 0.000 . 602 407 108 ALA HB H 1.346 0.002 . 603 407 108 ALA N N 123.512 0.000 . 604 408 109 TYR H H 8.882 0.001 . 605 408 109 TYR HA H 3.577 0.009 . 606 408 109 TYR HB2 H 3.231 0.003 . 607 408 109 TYR HB3 H 2.650 0.003 . 608 408 109 TYR N N 119.294 0.000 . 609 409 110 THR H H 8.113 0.001 . 610 409 110 THR HA H 3.545 0.006 . 611 409 110 THR HB H 4.175 0.000 . 612 409 110 THR HG2 H 1.217 0.000 . 613 409 110 THR N N 116.763 0.000 . 614 410 111 LEU H H 8.310 0.003 . 615 410 111 LEU HA H 4.041 0.016 . 616 410 111 LEU HB2 H 1.697 0.002 . 617 410 111 LEU HB3 H 1.173 0.000 . 618 410 111 LEU HG H 1.634 0.004 . 619 410 111 LEU HD1 H 0.706 0.015 . 620 410 111 LEU HD2 H 0.758 0.000 . 621 410 111 LEU N N 121.825 0.000 . 622 411 112 GLY H H 8.745 0.003 . 623 411 112 GLY HA2 H 3.280 0.000 . 624 411 112 GLY HA3 H 3.359 0.000 . 625 411 112 GLY N N 108.326 0.000 . 626 412 113 MET H H 8.498 0.002 . 627 412 113 MET HA H 3.847 0.002 . 628 412 113 MET HB2 H 2.014 0.000 . 629 412 113 MET HB3 H 1.615 0.007 . 630 412 113 MET HG2 H 1.652 0.000 . 631 412 113 MET N N 122.106 0.000 . 632 413 114 MET H H 7.542 0.002 . 633 413 114 MET HA H 4.045 0.000 . 634 413 114 MET HB2 H 2.175 0.001 . 635 413 114 MET HB3 H 2.036 0.007 . 636 413 114 MET HG2 H 2.812 0.000 . 637 413 114 MET HG3 H 2.512 0.000 . 638 413 114 MET N N 120.419 0.000 . 639 414 115 LEU H H 8.346 0.003 . 640 414 115 LEU HA H 3.854 0.000 . 641 414 115 LEU HB2 H 1.412 0.000 . 642 414 115 LEU HB3 H 0.911 0.000 . 643 414 115 LEU HG H 1.634 0.002 . 644 414 115 LEU HD1 H 0.223 0.000 . 645 414 115 LEU HD2 H 0.550 0.000 . 646 414 115 LEU N N 116.200 0.000 . 647 415 116 SER H H 7.547 0.002 . 648 415 116 SER HA H 4.356 0.002 . 649 415 116 SER HB2 H 4.144 0.000 . 650 415 116 SER HB3 H 3.582 0.000 . 651 415 116 SER N N 108.045 0.000 . 652 416 117 GLY H H 7.511 0.005 . 653 416 117 GLY HA2 H 3.856 0.000 . 654 416 117 GLY HA3 H 3.940 0.000 . 655 416 117 GLY N N 111.138 0.000 . 656 417 118 GLN H H 9.121 0.003 . 657 417 118 GLN HA H 3.510 0.003 . 658 417 118 GLN HB2 H 2.386 0.000 . 659 417 118 GLN HB3 H 2.132 0.001 . 660 417 118 GLN HG2 H 2.278 0.003 . 661 417 118 GLN HG3 H 2.033 0.004 . 662 417 118 GLN HE21 H 7.778 0.002 . 663 417 118 GLN HE22 H 6.692 0.001 . 664 417 118 GLN N N 113.388 0.000 . 665 417 118 GLN NE2 N 112.826 0.000 . 666 418 119 ASN H H 7.205 0.003 . 667 418 119 ASN HB2 H 2.970 0.002 . 668 418 119 ASN HB3 H 2.607 0.004 . 669 418 119 ASN HD21 H 7.903 0.001 . 670 418 119 ASN HD22 H 6.873 0.001 . 671 418 119 ASN N N 118.169 0.000 . 672 418 119 ASN ND2 N 112.263 0.000 . 673 419 120 TYR H H 7.877 0.004 . 674 419 120 TYR HA H 4.041 0.000 . 675 419 120 TYR HB2 H 3.155 0.000 . 676 419 120 TYR HB3 H 2.790 0.000 . 677 419 120 TYR HD1 H 6.720 0.003 . 678 419 120 TYR HD2 H 6.720 0.003 . 679 419 120 TYR HE1 H 6.710 0.000 . 680 419 120 TYR HE2 H 6.710 0.000 . 681 419 120 TYR N N 125.199 0.000 . 682 420 121 GLN H H 9.294 0.001 . 683 420 121 GLN HA H 3.391 0.000 . 684 420 121 GLN HB2 H 2.109 0.000 . 685 420 121 GLN HB3 H 2.039 0.000 . 686 420 121 GLN HG2 H 2.558 0.000 . 687 420 121 GLN HG3 H 2.460 0.000 . 688 420 121 GLN HE21 H 8.097 0.002 . 689 420 121 GLN HE22 H 6.906 0.001 . 690 420 121 GLN N N 120.981 0.000 . 691 420 121 GLN NE2 N 113.388 0.000 . 692 421 122 LEU H H 7.117 0.001 . 693 421 122 LEU HA H 4.005 0.000 . 694 421 122 LEU HB2 H 1.443 0.015 . 695 421 122 LEU HB3 H 1.443 0.015 . 696 421 122 LEU HG H 1.283 0.000 . 697 421 122 LEU HD1 H 0.891 0.000 . 698 421 122 LEU HD2 H 0.852 0.000 . 699 421 122 LEU N N 119.575 0.000 . 700 422 123 VAL H H 8.144 0.003 . 701 422 123 VAL HA H 3.073 0.000 . 702 422 123 VAL HB H 1.716 0.002 . 703 422 123 VAL HG1 H 0.526 0.000 . 704 422 123 VAL HG2 H 0.523 0.000 . 705 422 123 VAL N N 117.325 0.000 . 706 423 124 SER H H 8.630 0.001 . 707 423 124 SER HA H 3.511 0.005 . 708 423 124 SER HB2 H 3.492 0.002 . 709 423 124 SER HB3 H 3.083 0.000 . 710 423 124 SER N N 114.513 0.000 . 711 424 125 GLY H H 7.149 0.004 . 712 424 125 GLY HA2 H 3.733 0.003 . 713 424 125 GLY HA3 H 3.898 0.006 . 714 424 125 GLY N N 109.451 0.000 . 715 425 126 ILE H H 7.487 0.004 . 716 425 126 ILE HA H 3.664 0.015 . 717 425 126 ILE HB H 1.728 0.000 . 718 425 126 ILE HG12 H 1.836 0.000 . 719 425 126 ILE HG13 H 0.891 0.000 . 720 425 126 ILE HG2 H 1.005 0.000 . 721 425 126 ILE HD1 H 0.685 0.000 . 722 425 126 ILE N N 121.825 0.000 . 723 426 127 ILE H H 8.532 0.002 . 724 426 127 ILE HA H 3.675 0.001 . 725 426 127 ILE HB H 2.051 0.000 . 726 426 127 ILE HG12 H 1.524 0.000 . 727 426 127 ILE HG13 H 1.457 0.000 . 728 426 127 ILE HG2 H 0.959 0.000 . 729 426 127 ILE HD1 H 0.702 0.000 . 730 426 127 ILE N N 118.731 0.000 . 731 427 128 ARG H H 7.956 0.002 . 732 427 128 ARG HA H 3.889 0.003 . 733 427 128 ARG HB2 H 2.018 0.002 . 734 427 128 ARG HB3 H 1.792 0.003 . 735 427 128 ARG HG3 H 1.593 0.002 . 736 427 128 ARG HD2 H 3.189 0.000 . 737 427 128 ARG HD3 H 3.189 0.000 . 738 427 128 ARG N N 119.013 0.000 . 739 428 129 GLY H H 7.167 0.009 . 740 428 129 GLY HA2 H 3.582 0.005 . 741 428 129 GLY HA3 H 3.968 0.001 . 742 428 129 GLY N N 102.139 0.000 . 743 429 130 TYR H H 7.962 0.002 . 744 429 130 TYR HA H 4.865 0.001 . 745 429 130 TYR HB2 H 3.494 0.016 . 746 429 130 TYR HB3 H 2.583 0.001 . 747 429 130 TYR HD1 H 7.010 0.000 . 748 429 130 TYR HD2 H 7.010 0.000 . 749 429 130 TYR HE1 H 6.665 0.000 . 750 429 130 TYR HE2 H 6.665 0.000 . 751 429 130 TYR N N 118.169 0.000 . 752 430 131 LEU H H 7.151 0.004 . 753 430 131 LEU HA H 4.472 0.000 . 754 430 131 LEU HB2 H 1.900 0.000 . 755 430 131 LEU HB3 H 1.198 0.000 . 756 430 131 LEU HG H 2.266 0.000 . 757 430 131 LEU HD1 H 0.970 0.000 . 758 430 131 LEU HD2 H 1.086 0.000 . 759 430 131 LEU N N 120.419 0.000 . 760 431 132 PRO HB2 H 2.199 0.000 . 761 431 132 PRO HB3 H 2.123 0.000 . 762 431 132 PRO HG2 H 2.084 0.000 . 763 431 132 PRO HG3 H 1.905 0.000 . 764 431 132 PRO HD2 H 3.889 0.002 . 765 431 132 PRO HD3 H 3.542 0.001 . 766 432 133 GLY H H 7.504 0.000 . 767 432 133 GLY HA2 H 3.917 0.000 . 768 432 133 GLY HA3 H 4.397 0.000 . 769 432 133 GLY N N 108.045 0.000 . 770 433 134 GLN H H 8.660 0.001 . 771 433 134 GLN HA H 3.922 0.000 . 772 433 134 GLN HB2 H 2.154 0.000 . 773 433 134 GLN HB3 H 2.025 0.000 . 774 433 134 GLN HG2 H 2.411 0.000 . 775 433 134 GLN HG3 H 2.411 0.000 . 776 433 134 GLN HE21 H 7.442 0.002 . 777 433 134 GLN HE22 H 6.835 0.002 . 778 433 134 GLN N N 120.700 0.000 . 779 433 134 GLN NE2 N 112.544 0.000 . 780 434 135 ALA HA H 4.082 0.000 . 781 434 135 ALA HB H 1.406 0.000 . 782 435 136 VAL H H 7.337 0.001 . 783 435 136 VAL HA H 3.461 0.003 . 784 435 136 VAL HB H 2.098 0.002 . 785 435 136 VAL HG1 H 1.057 0.000 . 786 435 136 VAL HG2 H 0.831 0.000 . 787 435 136 VAL N N 116.763 0.000 . 788 436 137 VAL H H 7.529 0.001 . 789 436 137 VAL HA H 3.360 0.002 . 790 436 137 VAL HB H 2.170 0.001 . 791 436 137 VAL HG1 H 1.072 0.004 . 792 436 137 VAL HG2 H 0.912 0.005 . 793 436 137 VAL N N 118.731 0.000 . 794 437 138 THR H H 8.473 0.002 . 795 437 138 THR HA H 3.876 0.008 . 796 437 138 THR HB H 4.051 0.003 . 797 437 138 THR HG2 H 1.207 0.000 . 798 437 138 THR N N 113.107 0.000 . 799 438 139 ALA H H 7.482 0.004 . 800 438 139 ALA HA H 4.125 0.004 . 801 438 139 ALA HB H 1.494 0.000 . 802 438 139 ALA N N 123.512 0.000 . 803 439 140 LEU H H 8.704 0.001 . 804 439 140 LEU HA H 3.847 0.011 . 805 439 140 LEU HB2 H 1.938 0.001 . 806 439 140 LEU HB3 H 1.223 0.005 . 807 439 140 LEU HG H 0.567 0.000 . 808 439 140 LEU HD1 H 0.959 0.000 . 809 439 140 LEU HD2 H 0.401 0.000 . 810 439 140 LEU N N 118.731 0.000 . 811 440 141 GLN H H 8.380 0.003 . 812 440 141 GLN HA H 3.662 0.005 . 813 440 141 GLN HB2 H 2.241 0.000 . 814 440 141 GLN HB3 H 2.066 0.004 . 815 440 141 GLN HG2 H 2.466 0.005 . 816 440 141 GLN HG3 H 2.324 0.005 . 817 440 141 GLN HE21 H 8.021 0.000 . 818 440 141 GLN HE22 H 6.656 0.002 . 819 440 141 GLN N N 119.013 0.000 . 820 440 141 GLN NE2 N 114.794 0.000 . 821 441 142 GLN H H 7.699 0.003 . 822 441 142 GLN HA H 3.970 0.004 . 823 441 142 GLN HB2 H 2.081 0.000 . 824 441 142 GLN HB3 H 2.004 0.000 . 825 441 142 GLN HG2 H 2.501 0.001 . 826 441 142 GLN HG3 H 2.305 0.003 . 827 441 142 GLN HE21 H 7.337 0.002 . 828 441 142 GLN HE22 H 6.711 0.001 . 829 441 142 GLN N N 115.638 0.000 . 830 441 142 GLN NE2 N 111.138 0.000 . 831 442 143 ARG H H 6.856 0.002 . 832 442 143 ARG HA H 3.702 0.000 . 833 442 143 ARG HB2 H 1.667 0.000 . 834 442 143 ARG HB3 H 1.430 0.000 . 835 442 143 ARG HG2 H 1.579 0.000 . 836 442 143 ARG HG3 H 1.289 0.000 . 837 442 143 ARG HD2 H 3.029 0.000 . 838 442 143 ARG HD3 H 2.993 0.000 . 839 442 143 ARG N N 116.763 0.000 . 840 443 144 LEU H H 8.103 0.002 . 841 443 144 LEU HA H 3.685 0.003 . 842 443 144 LEU HB2 H 1.803 0.000 . 843 443 144 LEU HB3 H 1.205 0.001 . 844 443 144 LEU HG H 1.576 0.002 . 845 443 144 LEU HD1 H 0.911 0.000 . 846 443 144 LEU HD2 H 0.897 0.000 . 847 443 144 LEU N N 119.294 0.000 . 848 444 145 ASP H H 8.832 0.001 . 849 444 145 ASP HA H 4.336 0.001 . 850 444 145 ASP HB2 H 2.682 0.002 . 851 444 145 ASP HB3 H 2.579 0.003 . 852 444 145 ASP N N 120.137 0.000 . 853 445 146 GLN H H 6.951 0.002 . 854 445 146 GLN HA H 4.167 0.002 . 855 445 146 GLN HB2 H 2.184 0.001 . 856 445 146 GLN HB3 H 2.026 0.004 . 857 445 146 GLN HG2 H 2.518 0.002 . 858 445 146 GLN HG3 H 2.401 0.000 . 859 445 146 GLN HE21 H 7.438 0.002 . 860 445 146 GLN HE22 H 6.747 0.001 . 861 445 146 GLN N N 114.513 0.000 . 862 445 146 GLN NE2 N 111.982 0.000 . 863 446 147 GLU H H 7.196 0.001 . 864 446 147 GLU HB2 H 2.206 0.000 . 865 446 147 GLU HB3 H 2.033 0.001 . 866 446 147 GLU HG2 H 2.544 0.000 . 867 446 147 GLU HG3 H 2.405 0.000 . 868 446 147 GLU N N 117.888 0.000 . 869 447 148 ILE H H 8.716 0.003 . 870 447 148 ILE HA H 3.923 0.001 . 871 447 148 ILE HB H 1.861 0.001 . 872 447 148 ILE HG12 H 1.444 0.000 . 873 447 148 ILE HG13 H 1.250 0.000 . 874 447 148 ILE HG2 H 0.953 0.000 . 875 447 148 ILE HD1 H 0.865 0.000 . 876 447 148 ILE N N 116.482 0.000 . 877 448 149 ASP H H 7.267 0.001 . 878 448 149 ASP HA H 4.617 0.000 . 879 448 149 ASP HB2 H 3.067 0.000 . 880 448 149 ASP HB3 H 2.954 0.000 . 881 448 149 ASP N N 115.357 0.000 . 882 449 150 ASP H H 8.734 0.001 . 883 449 150 ASP HA H 4.241 0.000 . 884 449 150 ASP HB2 H 2.674 0.000 . 885 449 150 ASP HB3 H 2.578 0.000 . 886 449 150 ASP N N 118.731 0.000 . 887 450 151 GLN H H 8.352 0.002 . 888 450 151 GLN HA H 3.926 0.000 . 889 450 151 GLN HB2 H 2.118 0.008 . 890 450 151 GLN HB3 H 1.980 0.002 . 891 450 151 GLN HG2 H 2.379 0.005 . 892 450 151 GLN HG3 H 2.318 0.002 . 893 450 151 GLN HE21 H 7.741 0.001 . 894 450 151 GLN HE22 H 6.787 0.001 . 895 450 151 GLN N N 122.668 0.000 . 896 450 151 GLN NE2 N 112.826 0.000 . 897 451 152 THR H H 8.563 0.002 . 898 451 152 THR HA H 4.023 0.000 . 899 451 152 THR HB H 4.145 0.002 . 900 451 152 THR HG2 H 1.340 0.000 . 901 451 152 THR N N 116.200 0.000 . 902 452 153 ARG H H 8.099 0.001 . 903 452 153 ARG HA H 3.623 0.000 . 904 452 153 ARG HB2 H 1.853 0.000 . 905 452 153 ARG HB3 H 1.549 0.000 . 906 452 153 ARG HG2 H 1.728 0.000 . 907 452 153 ARG N N 124.356 0.000 . 908 453 154 ALA H H 7.858 0.001 . 909 453 154 ALA HA H 4.261 0.000 . 910 453 154 ALA HB H 1.370 0.002 . 911 453 154 ALA N N 118.731 0.000 . 912 454 155 GLU H H 7.636 0.002 . 913 454 155 GLU HA H 4.247 0.001 . 914 454 155 GLU HB2 H 2.233 0.001 . 915 454 155 GLU HB3 H 2.171 0.009 . 916 454 155 GLU HG2 H 2.521 0.000 . 917 454 155 GLU HG3 H 2.341 0.000 . 918 454 155 GLU N N 116.763 0.000 . 919 455 156 THR H H 7.867 0.003 . 920 455 156 THR HA H 4.358 0.003 . 921 455 156 THR HB H 3.924 0.005 . 922 455 156 THR HG2 H 1.132 0.001 . 923 455 156 THR N N 108.607 0.000 . 924 456 157 PHE H H 7.711 0.001 . 925 456 157 PHE HA H 3.718 0.003 . 926 456 157 PHE HB2 H 3.472 0.000 . 927 456 157 PHE HB3 H 2.570 0.000 . 928 456 157 PHE HD1 H 6.632 0.000 . 929 456 157 PHE HD2 H 6.632 0.000 . 930 456 157 PHE N N 124.637 0.000 . 931 457 158 ILE H H 8.402 0.002 . 932 457 158 ILE HA H 3.473 0.002 . 933 457 158 ILE HB H 1.909 0.000 . 934 457 158 ILE HG12 H 1.745 0.000 . 935 457 158 ILE HG13 H 1.302 0.000 . 936 457 158 ILE HG2 H 0.837 0.000 . 937 457 158 ILE HD1 H 1.030 0.000 . 938 457 158 ILE N N 115.919 0.000 . 939 458 159 GLN H H 7.839 0.002 . 940 458 159 GLN HA H 3.918 0.003 . 941 458 159 GLN HB2 H 1.942 0.004 . 942 458 159 GLN HB3 H 1.837 0.004 . 943 458 159 GLN HG2 H 2.207 0.010 . 944 458 159 GLN HG3 H 2.142 0.007 . 945 458 159 GLN HE21 H 7.188 0.000 . 946 458 159 GLN HE22 H 6.754 0.001 . 947 458 159 GLN N N 120.981 0.000 . 948 458 159 GLN NE2 N 111.138 0.000 . 949 459 160 HIS H H 8.330 0.002 . 950 459 160 HIS HA H 4.533 0.003 . 951 459 160 HIS HB2 H 2.785 0.000 . 952 459 160 HIS HB3 H 2.487 0.000 . 953 459 160 HIS N N 119.856 0.000 . 954 460 161 LEU H H 8.627 0.002 . 955 460 161 LEU HA H 3.475 0.001 . 956 460 161 LEU HB2 H 1.601 0.002 . 957 460 161 LEU HB3 H 0.916 0.004 . 958 460 161 LEU HG H 0.554 0.000 . 959 460 161 LEU HD1 H 0.530 0.000 . 960 460 161 LEU HD2 H 0.402 0.000 . 961 460 161 LEU N N 122.106 0.000 . 962 461 162 ASN H H 8.647 0.001 . 963 461 162 ASN HA H 4.182 0.003 . 964 461 162 ASN HB2 H 2.753 0.002 . 965 461 162 ASN HB3 H 2.682 0.007 . 966 461 162 ASN HD21 H 7.278 0.001 . 967 461 162 ASN HD22 H 6.564 0.001 . 968 461 162 ASN N N 116.200 0.000 . 969 461 162 ASN ND2 N 109.732 0.000 . 970 462 163 ALA H H 7.892 0.003 . 971 462 163 ALA HA H 4.190 0.001 . 972 462 163 ALA HB H 1.546 0.004 . 973 462 163 ALA N N 123.512 0.000 . 974 463 164 VAL H H 8.326 0.001 . 975 463 164 VAL HA H 3.601 0.001 . 976 463 164 VAL HB H 2.370 0.001 . 977 463 164 VAL HG1 H 1.076 0.000 . 978 463 164 VAL HG2 H 0.963 0.000 . 979 463 164 VAL N N 119.294 0.000 . 980 464 165 TYR H H 8.971 0.001 . 981 464 165 TYR HA H 4.082 0.009 . 982 464 165 TYR HB2 H 3.253 0.009 . 983 464 165 TYR HB3 H 3.094 0.001 . 984 464 165 TYR HD1 H 6.935 0.003 . 985 464 165 TYR HD2 H 6.935 0.003 . 986 464 165 TYR HE1 H 6.602 0.005 . 987 464 165 TYR HE2 H 6.602 0.005 . 988 464 165 TYR N N 121.262 0.000 . 989 465 166 GLU H H 8.094 0.002 . 990 465 166 GLU HA H 4.201 0.005 . 991 465 166 GLU HB2 H 2.230 0.000 . 992 465 166 GLU HB3 H 2.175 0.001 . 993 465 166 GLU HG2 H 2.345 0.000 . 994 465 166 GLU N N 119.013 0.000 . 995 466 167 ILE H H 7.974 0.001 . 996 466 167 ILE HA H 3.765 0.000 . 997 466 167 ILE HB H 1.921 0.007 . 998 466 167 ILE HG12 H 1.755 0.000 . 999 466 167 ILE HG13 H 1.169 0.000 . 1000 466 167 ILE HG2 H 0.817 0.000 . 1001 466 167 ILE HD1 H 0.922 0.000 . 1002 466 167 ILE N N 121.262 0.000 . 1003 467 168 LEU H H 7.963 0.001 . 1004 467 168 LEU HA H 4.266 0.000 . 1005 467 168 LEU HB2 H 1.597 0.003 . 1006 467 168 LEU HB3 H 1.503 0.002 . 1007 467 168 LEU HG H 0.699 0.000 . 1008 467 168 LEU HD2 H 0.801 0.000 . 1009 467 168 LEU N N 117.888 0.000 . 1010 468 169 GLY H H 7.813 0.002 . 1011 468 169 GLY HA2 H 3.845 0.001 . 1012 468 169 GLY HA3 H 3.937 0.002 . 1013 468 169 GLY N N 110.295 0.000 . 1014 469 170 LEU H H 8.476 0.001 . 1015 469 170 LEU HB2 H 1.202 0.000 . 1016 469 170 LEU HB3 H 0.770 0.000 . 1017 469 170 LEU HD1 H 0.278 0.005 . 1018 469 170 LEU HD2 H 0.413 0.002 . 1019 469 170 LEU N N 119.856 0.000 . 1020 470 171 ASN H H 8.578 0.003 . 1021 470 171 ASN HB2 H 3.456 0.004 . 1022 470 171 ASN HB3 H 2.798 0.001 . 1023 470 171 ASN HD21 H 7.663 0.004 . 1024 470 171 ASN HD22 H 7.073 0.002 . 1025 470 171 ASN N N 118.731 0.000 . 1026 470 171 ASN ND2 N 111.420 0.000 . 1027 471 172 ALA H H 8.389 0.002 . 1028 471 172 ALA HA H 4.275 0.000 . 1029 471 172 ALA HB H 1.538 0.003 . 1030 471 172 ALA N N 119.013 0.000 . 1031 472 173 ARG H H 7.666 0.001 . 1032 472 173 ARG HA H 4.269 0.000 . 1033 472 173 ARG HB2 H 2.166 0.003 . 1034 472 173 ARG HB3 H 1.643 0.004 . 1035 472 173 ARG HG2 H 1.667 0.000 . 1036 472 173 ARG HG3 H 1.380 0.004 . 1037 472 173 ARG HD3 H 3.106 0.000 . 1038 472 173 ARG N N 116.482 0.000 . 1039 473 174 GLY H H 8.714 0.002 . 1040 473 174 GLY HA2 H 3.282 0.005 . 1041 473 174 GLY HA3 H 4.026 0.002 . 1042 473 174 GLY N N 109.451 0.000 . 1043 474 175 GLN H H 7.752 0.003 . 1044 474 175 GLN HA H 4.378 0.003 . 1045 474 175 GLN HB2 H 1.989 0.005 . 1046 474 175 GLN HB3 H 1.877 0.000 . 1047 474 175 GLN HG2 H 2.258 0.001 . 1048 474 175 GLN HG3 H 2.181 0.007 . 1049 474 175 GLN HE21 H 7.523 0.001 . 1050 474 175 GLN HE22 H 6.810 0.001 . 1051 474 175 GLN N N 118.169 0.000 . 1052 474 175 GLN NE2 N 112.263 0.000 . 1053 475 176 SER H H 8.600 0.006 . 1054 475 176 SER HA H 4.569 0.000 . 1055 475 176 SER HB2 H 3.824 0.016 . 1056 475 176 SER HB3 H 3.776 0.004 . 1057 475 176 SER N N 116.482 0.000 . 1058 476 177 ILE H H 8.379 0.003 . 1059 476 177 ILE HA H 4.143 0.001 . 1060 476 177 ILE HB H 1.856 0.001 . 1061 476 177 ILE HG12 H 1.302 0.000 . 1062 476 177 ILE HG13 H 1.022 0.000 . 1063 476 177 ILE HG2 H 0.841 0.000 . 1064 476 177 ILE HD1 H 0.745 0.000 . 1065 476 177 ILE N N 123.793 0.000 . 1066 477 178 ARG H H 8.189 0.002 . 1067 477 178 ARG HA H 4.304 0.000 . 1068 477 178 ARG HB2 H 1.799 0.004 . 1069 477 178 ARG HB3 H 1.681 0.000 . 1070 477 178 ARG HG2 H 1.597 0.000 . 1071 477 178 ARG HG3 H 1.533 0.000 . 1072 477 178 ARG HD2 H 3.146 0.000 . 1073 477 178 ARG HD3 H 3.146 0.000 . 1074 477 178 ARG N N 122.668 0.000 . 1075 478 179 LEU H H 8.127 0.002 . 1076 478 179 LEU HA H 4.281 0.012 . 1077 478 179 LEU HB2 H 1.542 0.000 . 1078 478 179 LEU HB3 H 1.465 0.000 . 1079 478 179 LEU HD1 H 0.859 0.000 . 1080 478 179 LEU HD2 H 0.785 0.000 . 1081 478 179 LEU N N 123.512 0.000 . 1082 479 180 GLU H H 8.326 0.006 . 1083 479 180 GLU HA H 4.164 0.000 . 1084 479 180 GLU HB2 H 1.889 0.000 . 1085 479 180 GLU HB3 H 1.794 0.000 . 1086 479 180 GLU HG2 H 2.168 0.000 . 1087 479 180 GLU HG3 H 2.095 0.000 . 1088 479 180 GLU N N 121.262 0.000 . stop_ save_