data_25043 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Investigation of hnRNP L bound to RNA ; _BMRB_accession_number 25043 _BMRB_flat_file_name bmr25043.str _Entry_type original _Submission_date 2014-06-24 _Accession_date 2014-06-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Most two C-terminal RNA Recognition Motif Domain of hnRNP L bound to two equivalents ACACA RNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blatter Markus . . 2 Allain Frederic . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1276 "13C chemical shifts" 700 "15N chemical shifts" 223 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-21 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25039 'Second RNA Recognition Motif Domain of hnRNP L' 25040 'most two C-terminal RNA Recognition Motif Domain of hnRNP L' 25041 'First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA' 25042 'Second RNA Recognition Motif Domain of hnRNP L bound to ACACAC RNA' stop_ _Original_release_date 2015-12-21 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Most two C-terminal RNA Recognition Motif Domain of hnRNP L bound to two equivalents ACACA RNA ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blatter Markus . . 2 Allain Frederic . . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Most two C-terminal RNA Recognition Motif Domain of hnRNP L bound to two equivalents ACACA RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 "RNA (5'-R(*AP*CP*AP*CP*A)-3')_1" $RNA_(5'-R(*AP*CP*AP*CP*A)-3') "RNA (5'-R(*AP*CP*AP*CP*A)-3')_2" $RNA_(5'-R(*AP*CP*AP*CP*A)-3') stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 24141.418 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; YGPHADSPVLMVYGLDQSKM NCDRVFNVFCLYGNVEKVKF MKSKPGAAMVEMADGYAVDR AITHLNNNFMFGQKMNVCVS KQPAIMPGQSYGLEDGSCSY KDFSESRNNRFSTPEQAAKN RIQHPSNVLHFFNAPLEVTE ENFFEICDELGVKRPTSVKV FSGKSERSSSGLLEWDSKSD ALETLGFLNHYQMKNPNGPY PYTLKLCFSTAQHAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 372 TYR 2 373 GLY 3 374 PRO 4 375 HIS 5 376 ALA 6 377 ASP 7 378 SER 8 379 PRO 9 380 VAL 10 381 LEU 11 382 MET 12 383 VAL 13 384 TYR 14 385 GLY 15 386 LEU 16 387 ASP 17 388 GLN 18 389 SER 19 390 LYS 20 391 MET 21 392 ASN 22 393 CYS 23 394 ASP 24 395 ARG 25 396 VAL 26 397 PHE 27 398 ASN 28 399 VAL 29 400 PHE 30 401 CYS 31 402 LEU 32 403 TYR 33 404 GLY 34 405 ASN 35 406 VAL 36 407 GLU 37 408 LYS 38 409 VAL 39 410 LYS 40 411 PHE 41 412 MET 42 413 LYS 43 414 SER 44 415 LYS 45 416 PRO 46 417 GLY 47 418 ALA 48 419 ALA 49 420 MET 50 421 VAL 51 422 GLU 52 423 MET 53 424 ALA 54 425 ASP 55 426 GLY 56 427 TYR 57 428 ALA 58 429 VAL 59 430 ASP 60 431 ARG 61 432 ALA 62 433 ILE 63 434 THR 64 435 HIS 65 436 LEU 66 437 ASN 67 438 ASN 68 439 ASN 69 440 PHE 70 441 MET 71 442 PHE 72 443 GLY 73 444 GLN 74 445 LYS 75 446 MET 76 447 ASN 77 448 VAL 78 449 CYS 79 450 VAL 80 451 SER 81 452 LYS 82 453 GLN 83 454 PRO 84 455 ALA 85 456 ILE 86 457 MET 87 458 PRO 88 459 GLY 89 460 GLN 90 461 SER 91 462 TYR 92 463 GLY 93 464 LEU 94 465 GLU 95 466 ASP 96 467 GLY 97 468 SER 98 469 CYS 99 470 SER 100 471 TYR 101 472 LYS 102 473 ASP 103 474 PHE 104 475 SER 105 476 GLU 106 477 SER 107 478 ARG 108 479 ASN 109 480 ASN 110 481 ARG 111 482 PHE 112 483 SER 113 484 THR 114 485 PRO 115 486 GLU 116 487 GLN 117 488 ALA 118 489 ALA 119 490 LYS 120 491 ASN 121 492 ARG 122 493 ILE 123 494 GLN 124 495 HIS 125 496 PRO 126 497 SER 127 498 ASN 128 499 VAL 129 500 LEU 130 501 HIS 131 502 PHE 132 503 PHE 133 504 ASN 134 505 ALA 135 506 PRO 136 507 LEU 137 508 GLU 138 509 VAL 139 510 THR 140 511 GLU 141 512 GLU 142 513 ASN 143 514 PHE 144 515 PHE 145 516 GLU 146 517 ILE 147 518 CYS 148 519 ASP 149 520 GLU 150 521 LEU 151 522 GLY 152 523 VAL 153 524 LYS 154 525 ARG 155 526 PRO 156 527 THR 157 528 SER 158 529 VAL 159 530 LYS 160 531 VAL 161 532 PHE 162 533 SER 163 534 GLY 164 535 LYS 165 536 SER 166 537 GLU 167 538 ARG 168 539 SER 169 540 SER 170 541 SER 171 542 GLY 172 543 LEU 173 544 LEU 174 545 GLU 175 546 TRP 176 547 ASP 177 548 SER 178 549 LYS 179 550 SER 180 551 ASP 181 552 ALA 182 553 LEU 183 554 GLU 184 555 THR 185 556 LEU 186 557 GLY 187 558 PHE 188 559 LEU 189 560 ASN 190 561 HIS 191 562 TYR 192 563 GLN 193 564 MET 194 565 LYS 195 566 ASN 196 567 PRO 197 568 ASN 198 569 GLY 199 570 PRO 200 571 TYR 201 572 PRO 202 573 TYR 203 574 THR 204 575 LEU 205 576 LYS 206 577 LEU 207 578 CYS 208 579 PHE 209 580 SER 210 581 THR 211 582 ALA 212 583 GLN 213 584 HIS 214 585 ALA 215 586 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA_(5'-R(*AP*CP*AP*CP*A)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*AP*CP*AP*CP*A)-3') _Molecular_mass 1553.035 _Mol_thiol_state . _Details . _Residue_count 5 _Mol_residue_sequence ; ACACA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 A 2 2 C 3 3 A 4 4 C 5 5 A 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 $entity_1 'Norway rat' 10116 Eukaryota Metazoa . . $RNA_(5'-R(*AP*CP*AP*CP*A)-3') . . . . . . 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 $entity_1 'recombinant technology' . . . . pTYB11 $RNA_(5'-R(*AP*CP*AP*CP*A)-3') 'chemical synthesis' . . . . . 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 _Isotopic_labeling $entity_1 1.5 mM '[U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*A)-3') 3.0 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*A)-3') 3.0 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*A)-3') 3.0 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*A)-3') 3.0 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_3D_F3-filtered-F2-edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F3-filtered-F2-edited NOESY' _Sample_label $sample_4 save_ save_2D_F2-filtered_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F2-filtered NOESY' _Sample_label $sample_4 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' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 313.15 . 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 $SPARKY stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_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 1 372 1 TYR HB2 H 3.896 0.020 2 2 372 1 TYR HB3 H 3.130 0.020 2 3 372 1 TYR HD1 H 7.239 0.020 1 4 372 1 TYR HD2 H 7.239 0.020 1 5 372 1 TYR HE1 H 6.941 0.020 1 6 372 1 TYR HE2 H 6.941 0.020 1 7 372 1 TYR H H 6.813 0.020 1 8 372 1 TYR CD2 C 130.973 0.400 1 9 372 1 TYR CE2 C 116.095 0.400 1 10 372 1 TYR N N 112.043 0.400 1 11 373 2 GLY H H 8.124 0.020 1 12 373 2 GLY HA2 H 4.165 0.020 2 13 373 2 GLY HA3 H 4.130 0.020 2 14 373 2 GLY CA C 41.882 0.400 1 15 373 2 GLY N N 112.009 0.400 1 16 375 4 HIS H H 9.015 0.020 1 17 375 4 HIS HA H 4.681 0.020 1 18 375 4 HIS HB2 H 3.037 0.020 2 19 375 4 HIS HB3 H 3.037 0.020 2 20 375 4 HIS HD2 H 7.129 0.020 1 21 375 4 HIS HE1 H 8.316 0.020 1 22 375 4 HIS CB C 26.601 0.400 1 23 375 4 HIS CD2 C 118.056 0.400 1 24 375 4 HIS CE1 C 134.717 0.400 1 25 375 4 HIS N N 119.794 0.400 1 26 376 5 ALA H H 9.088 0.020 1 27 376 5 ALA HA H 4.150 0.020 1 28 376 5 ALA HB H 1.477 0.020 1 29 376 5 ALA CA C 50.069 0.400 1 30 376 5 ALA CB C 17.217 0.400 1 31 376 5 ALA N N 127.815 0.400 1 32 377 6 ASP H H 8.278 0.020 1 33 377 6 ASP HA H 4.534 0.020 1 34 377 6 ASP HB2 H 2.708 0.020 2 35 377 6 ASP HB3 H 2.708 0.020 2 36 377 6 ASP CA C 51.130 0.400 1 37 377 6 ASP CB C 38.388 0.400 1 38 377 6 ASP N N 119.660 0.400 1 39 378 7 SER H H 7.405 0.020 1 40 378 7 SER HA H 4.924 0.020 1 41 378 7 SER HB2 H 3.773 0.020 2 42 378 7 SER HB3 H 3.978 0.020 2 43 378 7 SER CA C 51.422 0.400 1 44 378 7 SER CB C 62.735 0.400 1 45 378 7 SER N N 114.338 0.400 1 46 379 8 PRO HA H 4.364 0.020 1 47 379 8 PRO HD2 H 4.091 0.020 2 48 379 8 PRO HD3 H 3.648 0.020 2 49 379 8 PRO CA C 60.980 0.400 1 50 379 8 PRO CD C 47.275 0.400 1 51 380 9 VAL H H 8.514 0.020 1 52 380 9 VAL HA H 4.666 0.020 1 53 380 9 VAL HB H 2.022 0.020 1 54 380 9 VAL HG1 H 0.515 0.020 2 55 380 9 VAL HG2 H 0.648 0.020 2 56 380 9 VAL CB C 28.878 0.400 1 57 380 9 VAL CG1 C 19.602 0.400 1 58 380 9 VAL CG2 C 19.204 0.400 1 59 380 9 VAL N N 122.395 0.400 1 60 381 10 LEU H H 9.275 0.020 1 61 381 10 LEU HA H 4.959 0.020 1 62 381 10 LEU HB2 H 1.738 0.020 1 63 381 10 LEU HB3 H 1.521 0.020 1 64 381 10 LEU HG H 1.862 0.020 1 65 381 10 LEU HD1 H 0.841 0.020 2 66 381 10 LEU HD2 H 0.487 0.020 2 67 381 10 LEU CA C 49.863 0.400 1 68 381 10 LEU CB C 42.799 0.400 1 69 381 10 LEU CG C 22.837 0.400 1 70 381 10 LEU CD1 C 25.384 0.400 1 71 381 10 LEU CD2 C 23.526 0.400 1 72 381 10 LEU N N 125.326 0.400 1 73 382 11 MET H H 8.947 0.020 1 74 382 11 MET HA H 4.846 0.020 1 75 382 11 MET HB2 H 1.825 0.020 2 76 382 11 MET HB3 H 1.989 0.020 2 77 382 11 MET HG2 H 2.312 0.020 2 78 382 11 MET HG3 H 2.240 0.020 2 79 382 11 MET HE H 1.500 0.020 1 80 382 11 MET CA C 49.770 0.400 1 81 382 11 MET CE C 12.920 0.400 1 82 382 11 MET N N 118.150 0.400 1 83 383 12 VAL H H 8.500 0.020 1 84 383 12 VAL HA H 5.010 0.020 1 85 383 12 VAL HB H 1.680 0.020 1 86 383 12 VAL HG1 H 0.794 0.020 2 87 383 12 VAL HG2 H 0.791 0.020 2 88 383 12 VAL CA C 56.313 0.400 1 89 383 12 VAL CB C 31.297 0.400 1 90 383 12 VAL CG1 C 18.093 0.400 1 91 383 12 VAL CG2 C 19.860 0.400 1 92 383 12 VAL N N 121.391 0.400 1 93 384 13 TYR H H 8.944 0.020 1 94 384 13 TYR HA H 5.037 0.020 1 95 384 13 TYR HB2 H 2.680 0.020 1 96 384 13 TYR HB3 H 3.110 0.020 1 97 384 13 TYR HD1 H 6.611 0.020 1 98 384 13 TYR HD2 H 6.611 0.020 1 99 384 13 TYR HE1 H 6.020 0.020 1 100 384 13 TYR HE2 H 6.020 0.020 1 101 384 13 TYR CA C 53.264 0.400 1 102 384 13 TYR CB C 39.263 0.400 1 103 384 13 TYR CD2 C 130.429 0.400 1 104 384 13 TYR CE2 C 114.407 0.400 1 105 384 13 TYR N N 122.905 0.400 1 106 385 14 GLY H H 8.346 0.020 1 107 385 14 GLY HA2 H 4.667 0.020 1 108 385 14 GLY HA3 H 3.771 0.020 1 109 385 14 GLY CA C 42.903 0.400 1 110 385 14 GLY N N 108.207 0.400 1 111 386 15 LEU H H 8.843 0.020 1 112 386 15 LEU HA H 4.453 0.020 1 113 386 15 LEU HB2 H 1.831 0.020 1 114 386 15 LEU HB3 H 1.033 0.020 1 115 386 15 LEU HG H 1.626 0.020 1 116 386 15 LEU HD1 H 0.897 0.020 2 117 386 15 LEU HD2 H 0.544 0.020 2 118 386 15 LEU CA C 50.862 0.400 1 119 386 15 LEU CB C 39.814 0.400 1 120 386 15 LEU CG C 23.896 0.400 1 121 386 15 LEU CD1 C 20.131 0.400 1 122 386 15 LEU CD2 C 24.446 0.400 1 123 386 15 LEU N N 117.987 0.400 1 124 387 16 ASP H H 8.326 0.020 1 125 387 16 ASP HA H 4.441 0.020 1 126 387 16 ASP HB2 H 2.770 0.020 2 127 387 16 ASP HB3 H 2.639 0.020 2 128 387 16 ASP CA C 52.850 0.400 1 129 387 16 ASP CB C 39.577 0.400 1 130 387 16 ASP N N 122.067 0.400 1 131 388 17 GLN H H 8.977 0.020 1 132 388 17 GLN HA H 4.204 0.020 1 133 388 17 GLN HB2 H 2.254 0.020 2 134 388 17 GLN HB3 H 2.193 0.020 2 135 388 17 GLN HG2 H 2.581 0.020 2 136 388 17 GLN HG3 H 2.514 0.020 2 137 388 17 GLN HE21 H 7.701 0.020 1 138 388 17 GLN HE22 H 6.861 0.020 1 139 388 17 GLN CA C 55.393 0.400 1 140 388 17 GLN CB C 26.670 0.400 1 141 388 17 GLN CG C 31.653 0.400 1 142 388 17 GLN N N 127.122 0.400 1 143 388 17 GLN NE2 N 111.772 0.400 1 144 389 18 SER H H 8.577 0.020 1 145 389 18 SER HA H 4.483 0.020 1 146 389 18 SER HB2 H 3.933 0.020 2 147 389 18 SER HB3 H 3.933 0.020 2 148 389 18 SER CA C 57.311 0.400 1 149 389 18 SER CB C 61.220 0.400 1 150 389 18 SER N N 114.688 0.400 1 151 390 19 LYS H H 7.929 0.020 1 152 390 19 LYS HA H 4.380 0.020 1 153 390 19 LYS HB2 H 1.601 0.020 1 154 390 19 LYS HB3 H 1.130 0.020 1 155 390 19 LYS HG2 H 0.785 0.020 1 156 390 19 LYS HG3 H 1.119 0.020 1 157 390 19 LYS HD2 H 1.025 0.020 1 158 390 19 LYS HD3 H 0.772 0.020 1 159 390 19 LYS HE2 H 2.715 0.020 2 160 390 19 LYS HE3 H 2.692 0.020 2 161 390 19 LYS CA C 53.822 0.400 1 162 390 19 LYS CB C 33.376 0.400 1 163 390 19 LYS CG C 21.901 0.400 1 164 390 19 LYS CD C 25.508 0.400 1 165 390 19 LYS CE C 39.422 0.400 1 166 390 19 LYS N N 118.774 0.400 1 167 391 20 MET H H 7.581 0.020 1 168 391 20 MET HA H 4.914 0.020 1 169 391 20 MET HB2 H 2.279 0.020 2 170 391 20 MET HB3 H 1.840 0.020 2 171 391 20 MET HG2 H 3.026 0.020 2 172 391 20 MET HG3 H 2.765 0.020 2 173 391 20 MET HE H 2.108 0.020 1 174 391 20 MET CA C 50.778 0.400 1 175 391 20 MET CB C 29.697 0.400 1 176 391 20 MET CG C 31.124 0.400 1 177 391 20 MET CE C 13.989 0.400 1 178 391 20 MET N N 112.932 0.400 1 179 392 21 ASN H H 6.778 0.020 1 180 392 21 ASN HA H 4.109 0.020 1 181 392 21 ASN HB2 H 3.123 0.020 1 182 392 21 ASN HB3 H 2.876 0.020 1 183 392 21 ASN HD21 H 8.032 0.020 1 184 392 21 ASN HD22 H 6.772 0.020 1 185 392 21 ASN CA C 48.524 0.400 1 186 392 21 ASN CB C 35.895 0.400 1 187 392 21 ASN N N 114.995 0.400 1 188 392 21 ASN ND2 N 111.072 0.400 1 189 393 22 CYS H H 9.322 0.020 1 190 393 22 CYS HA H 4.190 0.020 1 191 393 22 CYS HB2 H 3.026 0.020 2 192 393 22 CYS HB3 H 2.782 0.020 2 193 393 22 CYS CA C 62.837 0.400 1 194 393 22 CYS CB C 24.396 0.400 1 195 393 22 CYS N N 116.257 0.400 1 196 394 23 ASP H H 8.163 0.020 1 197 394 23 ASP HA H 4.596 0.020 1 198 394 23 ASP HB2 H 3.048 0.020 2 199 394 23 ASP HB3 H 2.782 0.020 2 200 394 23 ASP CA C 56.056 0.400 1 201 394 23 ASP CB C 37.786 0.400 1 202 394 23 ASP N N 120.330 0.400 1 203 395 24 ARG H H 8.480 0.020 1 204 395 24 ARG HB2 H 1.937 0.020 2 205 395 24 ARG HB3 H 1.737 0.020 2 206 395 24 ARG HD2 H 2.763 0.020 2 207 395 24 ARG HD3 H 2.367 0.020 2 208 395 24 ARG HE H 6.667 0.020 1 209 395 24 ARG CB C 28.098 0.400 1 210 395 24 ARG CD C 40.787 0.400 1 211 395 24 ARG N N 118.893 0.400 1 212 395 24 ARG NE N 119.221 0.400 1 213 396 25 VAL H H 8.013 0.020 1 214 396 25 VAL HA H 3.742 0.020 1 215 396 25 VAL HB H 2.326 0.020 1 216 396 25 VAL HG1 H 1.047 0.020 2 217 396 25 VAL HG2 H 0.683 0.020 2 218 396 25 VAL CA C 64.787 0.400 1 219 396 25 VAL CB C 28.864 0.400 1 220 396 25 VAL CG1 C 22.437 0.400 1 221 396 25 VAL CG2 C 20.520 0.400 1 222 396 25 VAL N N 117.636 0.400 1 223 397 26 PHE H H 8.496 0.020 1 224 397 26 PHE HA H 3.520 0.020 1 225 397 26 PHE HB2 H 3.259 0.020 2 226 397 26 PHE HB3 H 2.044 0.020 2 227 397 26 PHE HD1 H 6.441 0.020 1 228 397 26 PHE HD2 H 6.441 0.020 1 229 397 26 PHE HE1 H 6.959 0.020 1 230 397 26 PHE HE2 H 6.959 0.020 1 231 397 26 PHE HZ H 6.628 0.020 1 232 397 26 PHE CA C 60.428 0.400 1 233 397 26 PHE CB C 35.947 0.400 1 234 397 26 PHE CD2 C 128.928 0.400 1 235 397 26 PHE CE2 C 127.869 0.400 1 236 397 26 PHE CZ C 126.558 0.400 1 237 397 26 PHE N N 123.337 0.400 1 238 398 27 ASN H H 8.651 0.020 1 239 398 27 ASN HA H 4.473 0.020 1 240 398 27 ASN HD21 H 7.350 0.020 2 241 398 27 ASN HD22 H 6.813 0.020 2 242 398 27 ASN CA C 52.532 0.400 1 243 398 27 ASN N N 116.437 0.400 1 244 398 27 ASN ND2 N 110.804 0.400 1 245 399 28 VAL H H 7.235 0.020 1 246 399 28 VAL HA H 4.025 0.020 1 247 399 28 VAL HB H 2.144 0.020 1 248 399 28 VAL HG1 H 1.054 0.020 2 249 399 28 VAL HG2 H 0.658 0.020 2 250 399 28 VAL CA C 61.687 0.400 1 251 399 28 VAL CB C 30.672 0.400 1 252 399 28 VAL CG1 C 18.450 0.400 1 253 399 28 VAL CG2 C 19.322 0.400 1 254 399 28 VAL N N 116.137 0.400 1 255 400 29 PHE H H 8.341 0.020 1 256 400 29 PHE HA H 3.994 0.020 1 257 400 29 PHE HB2 H 2.864 0.020 2 258 400 29 PHE HB3 H 2.631 0.020 2 259 400 29 PHE HD1 H 7.434 0.020 1 260 400 29 PHE HD2 H 7.434 0.020 1 261 400 29 PHE HE1 H 6.985 0.020 1 262 400 29 PHE HE2 H 6.985 0.020 1 263 400 29 PHE CA C 60.357 0.400 1 264 400 29 PHE CB C 36.086 0.400 1 265 400 29 PHE CD2 C 128.841 0.400 1 266 400 29 PHE N N 113.979 0.400 1 267 401 30 CYS H H 8.734 0.020 1 268 401 30 CYS HA H 4.679 0.020 1 269 401 30 CYS HB2 H 3.085 0.020 1 270 401 30 CYS HB3 H 1.998 0.020 1 271 401 30 CYS CB C 23.892 0.400 1 272 401 30 CYS N N 115.433 0.400 1 273 402 31 LEU H H 6.804 0.020 1 274 402 31 LEU HA H 4.062 0.020 1 275 402 31 LEU HB2 H 1.359 0.020 2 276 402 31 LEU HB3 H 1.115 0.020 2 277 402 31 LEU HG H 1.763 0.020 1 278 402 31 LEU HD1 H 0.932 0.020 2 279 402 31 LEU HD2 H 0.881 0.020 2 280 402 31 LEU CA C 53.699 0.400 1 281 402 31 LEU CB C 38.881 0.400 1 282 402 31 LEU CG C 26.239 0.400 1 283 402 31 LEU CD1 C 23.136 0.400 1 284 402 31 LEU CD2 C 23.075 0.400 1 285 402 31 LEU N N 119.355 0.400 1 286 403 32 TYR H H 7.744 0.020 1 287 403 32 TYR HA H 4.441 0.020 1 288 403 32 TYR HB2 H 2.516 0.020 2 289 403 32 TYR HB3 H 3.303 0.020 2 290 403 32 TYR HD1 H 6.932 0.020 1 291 403 32 TYR HD2 H 6.932 0.020 1 292 403 32 TYR HE1 H 6.624 0.020 1 293 403 32 TYR HE2 H 6.624 0.020 1 294 403 32 TYR CA C 56.779 0.400 1 295 403 32 TYR CB C 37.251 0.400 1 296 403 32 TYR CD1 C 129.707 0.400 1 297 403 32 TYR CE1 C 116.262 0.400 1 298 403 32 TYR N N 112.912 0.400 1 299 404 33 GLY H H 7.208 0.020 1 300 404 33 GLY HA2 H 3.320 0.020 1 301 404 33 GLY HA3 H 1.781 0.020 1 302 404 33 GLY CA C 41.134 0.400 1 303 404 33 GLY N N 108.749 0.400 1 304 405 34 ASN H H 8.445 0.020 1 305 405 34 ASN HA H 4.741 0.020 1 306 405 34 ASN HB2 H 2.630 0.020 2 307 405 34 ASN HB3 H 2.630 0.020 2 308 405 34 ASN HD21 H 7.576 0.020 2 309 405 34 ASN HD22 H 6.945 0.020 2 310 405 34 ASN CA C 50.864 0.400 1 311 405 34 ASN CB C 34.932 0.400 1 312 405 34 ASN N N 119.687 0.400 1 313 405 34 ASN ND2 N 110.870 0.400 1 314 406 35 VAL H H 8.938 0.020 1 315 406 35 VAL HB H 2.120 0.020 1 316 406 35 VAL HG1 H 0.630 0.020 2 317 406 35 VAL HG2 H 0.702 0.020 2 318 406 35 VAL CB C 30.146 0.400 1 319 406 35 VAL CG1 C 17.643 0.400 1 320 406 35 VAL CG2 C 19.163 0.400 1 321 406 35 VAL N N 125.533 0.400 1 322 407 36 GLU H H 9.372 0.020 1 323 407 36 GLU HA H 4.520 0.020 1 324 407 36 GLU HB2 H 2.340 0.020 1 325 407 36 GLU HB3 H 1.652 0.020 1 326 407 36 GLU HG2 H 2.424 0.020 2 327 407 36 GLU HG3 H 1.971 0.020 2 328 407 36 GLU CA C 53.667 0.400 1 329 407 36 GLU CB C 27.342 0.400 1 330 407 36 GLU CG C 30.548 0.400 1 331 407 36 GLU N N 122.543 0.400 1 332 408 37 LYS H H 7.860 0.020 1 333 408 37 LYS HA H 5.448 0.020 1 334 408 37 LYS HB2 H 1.642 0.020 2 335 408 37 LYS HB3 H 1.867 0.020 2 336 408 37 LYS HG2 H 1.510 0.020 2 337 408 37 LYS HD2 H 1.945 0.020 2 338 408 37 LYS HD3 H 1.733 0.020 2 339 408 37 LYS HE2 H 3.151 0.020 2 340 408 37 LYS HE3 H 3.015 0.020 2 341 408 37 LYS CA C 52.736 0.400 1 342 408 37 LYS CB C 37.883 0.400 1 343 408 37 LYS CG C 23.517 0.400 1 344 408 37 LYS CD C 28.062 0.400 1 345 408 37 LYS CE C 39.728 0.400 1 346 408 37 LYS N N 114.519 0.400 1 347 409 38 VAL H H 8.519 0.020 1 348 409 38 VAL HA H 4.654 0.020 1 349 409 38 VAL HB H 1.950 0.020 1 350 409 38 VAL HG1 H 1.040 0.020 2 351 409 38 VAL HG2 H 0.922 0.020 2 352 409 38 VAL CA C 58.692 0.400 1 353 409 38 VAL CB C 33.401 0.400 1 354 409 38 VAL CG1 C 19.364 0.400 1 355 409 38 VAL CG2 C 19.489 0.400 1 356 409 38 VAL N N 120.407 0.400 1 357 410 39 LYS H H 9.107 0.020 1 358 410 39 LYS HA H 5.564 0.020 1 359 410 39 LYS HB2 H 1.880 0.020 2 360 410 39 LYS HB3 H 1.880 0.020 2 361 410 39 LYS HG2 H 1.721 0.020 2 362 410 39 LYS HG3 H 1.721 0.020 2 363 410 39 LYS HD2 H 3.327 0.020 2 364 410 39 LYS HD3 H 3.327 0.020 2 365 410 39 LYS HE2 H 3.418 0.020 2 366 410 39 LYS HE3 H 3.418 0.020 2 367 410 39 LYS CA C 53.016 0.400 1 368 410 39 LYS CB C 35.740 0.400 1 369 410 39 LYS CG C 24.045 0.400 1 370 410 39 LYS CD C 28.288 0.400 1 371 410 39 LYS CE C 40.469 0.400 1 372 410 39 LYS N N 126.164 0.400 1 373 411 40 PHE H H 9.533 0.020 1 374 411 40 PHE HA H 4.594 0.020 1 375 411 40 PHE HB2 H 3.549 0.020 1 376 411 40 PHE HB3 H 2.963 0.020 1 377 411 40 PHE HD1 H 7.519 0.020 1 378 411 40 PHE HD2 H 7.519 0.020 1 379 411 40 PHE HE1 H 6.909 0.020 1 380 411 40 PHE HE2 H 6.909 0.020 1 381 411 40 PHE HZ H 6.582 0.020 1 382 411 40 PHE CA C 56.796 0.400 1 383 411 40 PHE CB C 37.108 0.400 1 384 411 40 PHE CD1 C 129.816 0.400 1 385 411 40 PHE CE1 C 127.712 0.400 1 386 411 40 PHE CZ C 125.207 0.400 1 387 411 40 PHE N N 128.188 0.400 1 388 412 41 MET H H 8.070 0.020 1 389 412 41 MET HA H 4.913 0.020 1 390 412 41 MET HB2 H 2.272 0.020 2 391 412 41 MET HB3 H 2.226 0.020 2 392 412 41 MET HG2 H 2.447 0.020 2 393 412 41 MET HG3 H 2.389 0.020 2 394 412 41 MET HE H 1.818 0.020 1 395 412 41 MET CA C 52.260 0.400 1 396 412 41 MET CB C 31.262 0.400 1 397 412 41 MET CG C 28.986 0.400 1 398 412 41 MET CE C 14.642 0.400 1 399 412 41 MET N N 118.660 0.400 1 400 413 42 LYS H H 9.571 0.020 1 401 413 42 LYS HA H 3.675 0.020 1 402 413 42 LYS HB2 H 1.346 0.020 2 403 413 42 LYS HB3 H 1.239 0.020 2 404 413 42 LYS HG2 H 0.680 0.020 2 405 413 42 LYS HG3 H 0.680 0.020 2 406 413 42 LYS HD2 H 1.210 0.020 2 407 413 42 LYS HD3 H 1.168 0.020 2 408 413 42 LYS HE2 H 2.626 0.020 2 409 413 42 LYS HE3 H 2.557 0.020 2 410 413 42 LYS CA C 56.460 0.400 1 411 413 42 LYS CB C 30.751 0.400 1 412 413 42 LYS CG C 21.976 0.400 1 413 413 42 LYS CD C 26.493 0.400 1 414 413 42 LYS CE C 39.213 0.400 1 415 413 42 LYS N N 131.562 0.400 1 416 414 43 SER H H 9.158 0.020 1 417 414 43 SER HA H 4.195 0.020 1 418 414 43 SER HB2 H 3.654 0.020 2 419 414 43 SER HB3 H 3.654 0.020 2 420 414 43 SER CA C 56.637 0.400 1 421 414 43 SER CB C 61.828 0.400 1 422 414 43 SER N N 109.714 0.400 1 423 415 44 LYS H H 6.991 0.020 1 424 415 44 LYS HA H 4.857 0.020 1 425 415 44 LYS HB2 H 1.891 0.020 2 426 415 44 LYS HB3 H 1.638 0.020 2 427 415 44 LYS HG2 H 1.466 0.020 2 428 415 44 LYS HG3 H 1.442 0.020 2 429 415 44 LYS HD2 H 1.864 0.020 2 430 415 44 LYS HD3 H 1.797 0.020 2 431 415 44 LYS HE2 H 2.906 0.020 2 432 415 44 LYS HE3 H 2.844 0.020 2 433 415 44 LYS CA C 49.834 0.400 1 434 415 44 LYS CB C 30.447 0.400 1 435 415 44 LYS CG C 21.151 0.400 1 436 415 44 LYS CD C 25.813 0.400 1 437 415 44 LYS CE C 39.321 0.400 1 438 415 44 LYS N N 122.152 0.400 1 439 416 45 PRO HA H 4.552 0.020 1 440 416 45 PRO HB2 H 2.450 0.020 1 441 416 45 PRO HB3 H 2.027 0.020 1 442 416 45 PRO HG2 H 2.226 0.020 1 443 416 45 PRO HG3 H 2.131 0.020 1 444 416 45 PRO HD2 H 3.741 0.020 1 445 416 45 PRO HD3 H 3.553 0.020 1 446 416 45 PRO CA C 61.045 0.400 1 447 416 45 PRO CB C 28.994 0.400 1 448 416 45 PRO CG C 24.963 0.400 1 449 416 45 PRO CD C 47.289 0.400 1 450 417 46 GLY H H 9.037 0.020 1 451 417 46 GLY HA2 H 3.940 0.020 2 452 417 46 GLY HA3 H 4.573 0.020 2 453 417 46 GLY CA C 43.180 0.400 1 454 417 46 GLY N N 112.962 0.400 1 455 418 47 ALA H H 8.273 0.020 1 456 418 47 ALA HA H 5.846 0.020 1 457 418 47 ALA HB H 1.326 0.020 1 458 418 47 ALA CA C 46.753 0.400 1 459 418 47 ALA CB C 20.850 0.400 1 460 418 47 ALA N N 120.488 0.400 1 461 419 48 ALA H H 8.752 0.020 1 462 419 48 ALA HA H 4.559 0.020 1 463 419 48 ALA HB H 0.126 0.020 1 464 419 48 ALA CA C 47.686 0.400 1 465 419 48 ALA CB C 18.110 0.400 1 466 419 48 ALA N N 120.509 0.400 1 467 420 49 MET H H 8.503 0.020 1 468 420 49 MET HA H 5.042 0.020 1 469 420 49 MET HB2 H 1.516 0.020 2 470 420 49 MET HB3 H 1.516 0.020 2 471 420 49 MET HG2 H 2.314 0.020 2 472 420 49 MET HG3 H 2.236 0.020 2 473 420 49 MET HE H 1.353 0.020 1 474 420 49 MET CA C 51.397 0.400 1 475 420 49 MET CB C 33.322 0.400 1 476 420 49 MET CG C 30.410 0.400 1 477 420 49 MET CE C 14.230 0.400 1 478 420 49 MET N N 117.529 0.400 1 479 421 50 VAL H H 8.668 0.020 1 480 421 50 VAL HA H 4.455 0.020 1 481 421 50 VAL HB H 1.439 0.020 1 482 421 50 VAL HG1 H 0.489 0.020 2 483 421 50 VAL HG2 H 0.076 0.020 2 484 421 50 VAL CA C 57.930 0.400 1 485 421 50 VAL CB C 31.678 0.400 1 486 421 50 VAL CG1 C 18.571 0.400 1 487 421 50 VAL CG2 C 18.112 0.400 1 488 421 50 VAL N N 121.580 0.400 1 489 422 51 GLU H H 9.126 0.020 1 490 422 51 GLU N N 128.962 0.400 1 491 423 52 MET H H 9.363 0.020 1 492 423 52 MET HA H 5.401 0.020 1 493 423 52 MET HB2 H 2.277 0.020 2 494 423 52 MET HB3 H 2.238 0.020 2 495 423 52 MET HE H 1.752 0.020 1 496 423 52 MET CA C 49.920 0.400 1 497 423 52 MET CB C 30.447 0.400 1 498 423 52 MET CE C 13.738 0.400 1 499 423 52 MET N N 125.991 0.400 1 500 424 53 ALA H H 8.099 0.020 1 501 424 53 ALA HA H 4.095 0.020 1 502 424 53 ALA HB H 1.567 0.020 1 503 424 53 ALA CA C 52.432 0.400 1 504 424 53 ALA CB C 17.684 0.400 1 505 424 53 ALA N N 118.267 0.400 1 506 425 54 ASP H H 7.276 0.020 1 507 425 54 ASP HA H 4.640 0.020 1 508 425 54 ASP HB2 H 3.234 0.020 2 509 425 54 ASP HB3 H 3.234 0.020 2 510 425 54 ASP CA C 50.037 0.400 1 511 425 54 ASP CB C 40.153 0.400 1 512 425 54 ASP N N 106.098 0.400 1 513 426 55 GLY H H 8.920 0.020 1 514 426 55 GLY HA2 H 3.898 0.020 2 515 426 55 GLY HA3 H 3.599 0.020 2 516 426 55 GLY CA C 43.435 0.400 1 517 426 55 GLY N N 103.937 0.400 1 518 427 56 TYR H H 7.847 0.020 1 519 427 56 TYR HA H 4.502 0.020 1 520 427 56 TYR HB2 H 3.214 0.020 1 521 427 56 TYR HB3 H 3.248 0.020 1 522 427 56 TYR HD1 H 7.280 0.020 1 523 427 56 TYR HD2 H 7.280 0.020 1 524 427 56 TYR HE1 H 6.810 0.020 1 525 427 56 TYR HE2 H 6.810 0.020 1 526 427 56 TYR CA C 58.587 0.400 1 527 427 56 TYR CB C 34.165 0.400 1 528 427 56 TYR CD2 C 130.627 0.400 1 529 427 56 TYR CE2 C 115.966 0.400 1 530 427 56 TYR N N 121.746 0.400 1 531 428 57 ALA H H 8.244 0.020 1 532 428 57 ALA HA H 4.106 0.020 1 533 428 57 ALA HB H 1.563 0.020 1 534 428 57 ALA CA C 52.173 0.400 1 535 428 57 ALA CB C 17.023 0.400 1 536 428 57 ALA N N 122.252 0.400 1 537 429 58 VAL H H 6.941 0.020 1 538 429 58 VAL HA H 3.500 0.020 1 539 429 58 VAL HB H 2.325 0.020 1 540 429 58 VAL HG1 H 1.050 0.020 2 541 429 58 VAL HG2 H 0.963 0.020 2 542 429 58 VAL CA C 64.253 0.400 1 543 429 58 VAL CG1 C 20.704 0.400 1 544 429 58 VAL CG2 C 19.776 0.400 1 545 429 58 VAL N N 117.284 0.400 1 546 430 59 ASP H H 8.007 0.020 1 547 430 59 ASP HA H 4.359 0.020 1 548 430 59 ASP HB2 H 3.047 0.020 1 549 430 59 ASP HB3 H 2.831 0.020 1 550 430 59 ASP CA C 55.047 0.400 1 551 430 59 ASP CB C 38.023 0.400 1 552 430 59 ASP N N 118.656 0.400 1 553 431 60 ARG H H 8.163 0.020 1 554 431 60 ARG HA H 4.236 0.020 1 555 431 60 ARG HB2 H 2.021 0.020 2 556 431 60 ARG HB3 H 1.910 0.020 2 557 431 60 ARG HG2 H 2.402 0.020 2 558 431 60 ARG HG3 H 2.370 0.020 2 559 431 60 ARG HD2 H 3.797 0.020 2 560 431 60 ARG HD3 H 3.413 0.020 2 561 431 60 ARG HE H 7.655 0.020 1 562 431 60 ARG CA C 57.918 0.400 1 563 431 60 ARG CB C 29.954 0.400 1 564 431 60 ARG CG C 26.860 0.400 1 565 431 60 ARG CD C 41.779 0.400 1 566 431 60 ARG N N 118.805 0.400 1 567 431 60 ARG NE N 114.643 0.400 1 568 432 61 ALA H H 8.299 0.020 1 569 432 61 ALA HA H 3.247 0.020 1 570 432 61 ALA HB H 1.448 0.020 1 571 432 61 ALA CA C 52.592 0.400 1 572 432 61 ALA CB C 15.406 0.400 1 573 432 61 ALA N N 121.937 0.400 1 574 433 62 ILE H H 8.634 0.020 1 575 433 62 ILE HA H 3.338 0.020 1 576 433 62 ILE HB H 1.842 0.020 1 577 433 62 ILE HG12 H 0.730 0.020 1 578 433 62 ILE HG13 H 0.727 0.020 1 579 433 62 ILE HG2 H 0.910 0.020 1 580 433 62 ILE HD1 H 0.831 0.020 1 581 433 62 ILE CA C 63.663 0.400 1 582 433 62 ILE CB C 35.757 0.400 1 583 433 62 ILE CG1 C 27.037 0.400 1 584 433 62 ILE CG2 C 14.256 0.400 1 585 433 62 ILE CD1 C 13.150 0.400 1 586 433 62 ILE N N 117.617 0.400 1 587 434 63 THR H H 8.005 0.020 1 588 434 63 THR HA H 3.721 0.020 1 589 434 63 THR HB H 3.970 0.020 1 590 434 63 THR HG2 H 0.691 0.020 1 591 434 63 THR CA C 63.821 0.400 1 592 434 63 THR CB C 66.549 0.400 1 593 434 63 THR CG2 C 17.701 0.400 1 594 434 63 THR N N 113.846 0.400 1 595 435 64 HIS H H 7.354 0.020 1 596 435 64 HIS HA H 4.613 0.020 1 597 435 64 HIS HB2 H 3.250 0.020 2 598 435 64 HIS HB3 H 3.044 0.020 2 599 435 64 HIS HD2 H 7.350 0.020 1 600 435 64 HIS HE1 H 8.200 0.020 1 601 435 64 HIS CA C 56.316 0.400 1 602 435 64 HIS CB C 27.013 0.400 1 603 435 64 HIS CD2 C 118.063 0.400 1 604 435 64 HIS CE1 C 135.813 0.400 1 605 435 64 HIS N N 115.113 0.400 1 606 436 65 LEU H H 8.122 0.020 1 607 436 65 LEU HA H 4.399 0.020 1 608 436 65 LEU HB2 H 1.750 0.020 2 609 436 65 LEU HB3 H 1.201 0.020 2 610 436 65 LEU HG H 1.107 0.020 1 611 436 65 LEU HD1 H 0.055 0.020 2 612 436 65 LEU HD2 H 0.659 0.020 2 613 436 65 LEU CA C 52.420 0.400 1 614 436 65 LEU CB C 40.690 0.400 1 615 436 65 LEU CG C 23.518 0.400 1 616 436 65 LEU CD1 C 23.365 0.400 1 617 436 65 LEU CD2 C 19.413 0.400 1 618 436 65 LEU N N 114.966 0.400 1 619 437 66 ASN H H 7.419 0.020 1 620 437 66 ASN HA H 4.379 0.020 1 621 437 66 ASN HB2 H 3.217 0.020 2 622 437 66 ASN HB3 H 2.922 0.020 2 623 437 66 ASN HD21 H 7.853 0.020 2 624 437 66 ASN HD22 H 7.231 0.020 2 625 437 66 ASN CA C 53.339 0.400 1 626 437 66 ASN CB C 36.597 0.400 1 627 437 66 ASN N N 115.523 0.400 1 628 437 66 ASN ND2 N 115.258 0.400 1 629 438 67 ASN H H 8.565 0.020 1 630 438 67 ASN HA H 4.207 0.020 1 631 438 67 ASN HB2 H 3.099 0.020 1 632 438 67 ASN HB3 H 3.099 0.020 1 633 438 67 ASN HD21 H 6.787 0.020 2 634 438 67 ASN HD22 H 7.610 0.020 2 635 438 67 ASN CA C 52.555 0.400 1 636 438 67 ASN CB C 33.929 0.400 1 637 438 67 ASN N N 117.085 0.400 1 638 438 67 ASN ND2 N 109.699 0.400 1 639 439 68 ASN H H 7.349 0.020 1 640 439 68 ASN HA H 4.903 0.020 1 641 439 68 ASN HB2 H 2.738 0.020 2 642 439 68 ASN HB3 H 2.354 0.020 2 643 439 68 ASN HD21 H 6.617 0.020 2 644 439 68 ASN HD22 H 6.501 0.020 2 645 439 68 ASN CA C 50.961 0.400 1 646 439 68 ASN CB C 38.601 0.400 1 647 439 68 ASN N N 115.677 0.400 1 648 439 68 ASN ND2 N 111.305 0.400 1 649 440 69 PHE H H 8.515 0.020 1 650 440 69 PHE HA H 5.106 0.020 1 651 440 69 PHE HB2 H 2.900 0.020 1 652 440 69 PHE HB3 H 2.856 0.020 1 653 440 69 PHE HD1 H 7.026 0.020 1 654 440 69 PHE HD2 H 7.026 0.020 1 655 440 69 PHE HE1 H 7.384 0.020 1 656 440 69 PHE HE2 H 7.384 0.020 1 657 440 69 PHE HZ H 7.373 0.020 1 658 440 69 PHE CA C 55.149 0.400 1 659 440 69 PHE CB C 38.995 0.400 1 660 440 69 PHE CD1 C 128.851 0.400 1 661 440 69 PHE CE1 C 128.856 0.400 1 662 440 69 PHE CZ C 127.148 0.400 1 663 440 69 PHE N N 119.861 0.400 1 664 441 70 MET H H 8.720 0.020 1 665 441 70 MET HA H 4.324 0.020 1 666 441 70 MET HB2 H 1.936 0.020 1 667 441 70 MET HB3 H 2.146 0.020 1 668 441 70 MET HG2 H 2.357 0.020 2 669 441 70 MET HG3 H 2.275 0.020 2 670 441 70 MET HE H 2.181 0.020 1 671 441 70 MET CA C 53.811 0.400 1 672 441 70 MET CB C 33.959 0.400 1 673 441 70 MET CG C 29.850 0.400 1 674 441 70 MET CE C 14.539 0.400 1 675 441 70 MET N N 118.599 0.400 1 676 442 71 PHE H H 10.402 0.020 1 677 442 71 PHE HA H 4.314 0.020 1 678 442 71 PHE HB2 H 3.600 0.020 2 679 442 71 PHE HB3 H 3.297 0.020 2 680 442 71 PHE HD1 H 7.435 0.020 1 681 442 71 PHE HD2 H 7.435 0.020 1 682 442 71 PHE HE1 H 7.436 0.020 1 683 442 71 PHE HE2 H 7.436 0.020 1 684 442 71 PHE HZ H 7.078 0.020 1 685 442 71 PHE CA C 56.391 0.400 1 686 442 71 PHE CB C 33.661 0.400 1 687 442 71 PHE CD1 C 129.669 0.400 1 688 442 71 PHE CE1 C 129.069 0.400 1 689 442 71 PHE CZ C 127.234 0.400 1 690 442 71 PHE N N 126.522 0.400 1 691 443 72 GLY H H 9.035 0.020 1 692 443 72 GLY HA2 H 4.294 0.020 1 693 443 72 GLY HA3 H 3.771 0.020 1 694 443 72 GLY CA C 42.935 0.400 1 695 443 72 GLY N N 104.246 0.400 1 696 444 73 GLN H H 7.968 0.020 1 697 444 73 GLN HA H 4.820 0.020 1 698 444 73 GLN HB2 H 2.157 0.020 2 699 444 73 GLN HB3 H 2.237 0.020 2 700 444 73 GLN HG2 H 2.444 0.020 2 701 444 73 GLN HG3 H 2.403 0.020 2 702 444 73 GLN CA C 51.542 0.400 1 703 444 73 GLN CB C 29.820 0.400 1 704 444 73 GLN CG C 31.377 0.400 1 705 444 73 GLN N N 119.205 0.400 1 706 445 74 LYS H H 8.365 0.020 1 707 445 74 LYS HA H 3.585 0.020 1 708 445 74 LYS HB2 H 1.524 0.020 1 709 445 74 LYS HB3 H 1.119 0.020 1 710 445 74 LYS HG2 H 0.946 0.020 2 711 445 74 LYS HG3 H 0.612 0.020 2 712 445 74 LYS HD2 H 1.591 0.020 2 713 445 74 LYS HD3 H 1.591 0.020 2 714 445 74 LYS HE2 H 2.909 0.020 2 715 445 74 LYS HE3 H 2.909 0.020 2 716 445 74 LYS CA C 53.527 0.400 1 717 445 74 LYS CB C 30.040 0.400 1 718 445 74 LYS CG C 21.719 0.400 1 719 445 74 LYS CD C 26.393 0.400 1 720 445 74 LYS CE C 38.975 0.400 1 721 445 74 LYS N N 124.009 0.400 1 722 446 75 MET H H 8.849 0.020 1 723 446 75 MET HA H 5.185 0.020 1 724 446 75 MET HB2 H 2.063 0.020 2 725 446 75 MET HB3 H 2.052 0.020 2 726 446 75 MET HG2 H 2.543 0.020 2 727 446 75 MET HG3 H 2.315 0.020 2 728 446 75 MET HE H 1.939 0.020 1 729 446 75 MET CA C 52.446 0.400 1 730 446 75 MET CB C 32.421 0.400 1 731 446 75 MET CG C 28.795 0.400 1 732 446 75 MET CE C 13.791 0.400 1 733 446 75 MET N N 127.570 0.400 1 734 447 76 ASN H H 8.514 0.020 1 735 447 76 ASN HA H 5.695 0.020 1 736 447 76 ASN HB2 H 2.994 0.020 2 737 447 76 ASN HB3 H 2.614 0.020 2 738 447 76 ASN HD21 H 7.655 0.020 2 739 447 76 ASN CA C 49.483 0.400 1 740 447 76 ASN CB C 40.595 0.400 1 741 447 76 ASN N N 122.394 0.400 1 742 448 77 VAL H H 8.659 0.020 1 743 448 77 VAL HA H 5.264 0.020 1 744 448 77 VAL HB H 1.847 0.020 1 745 448 77 VAL HG1 H 1.075 0.020 2 746 448 77 VAL HG2 H 0.982 0.020 2 747 448 77 VAL CA C 57.683 0.400 1 748 448 77 VAL CB C 32.043 0.400 1 749 448 77 VAL CG1 C 21.593 0.400 1 750 448 77 VAL CG2 C 18.917 0.400 1 751 448 77 VAL N N 122.444 0.400 1 752 449 78 CYS H H 9.123 0.020 1 753 449 78 CYS HA H 4.977 0.020 1 754 449 78 CYS HB2 H 3.099 0.020 2 755 449 78 CYS HB3 H 3.049 0.020 2 756 449 78 CYS CA C 53.010 0.400 1 757 449 78 CYS CB C 29.438 0.400 1 758 449 78 CYS N N 121.989 0.400 1 759 450 79 VAL H H 8.499 0.020 1 760 450 79 VAL HA H 3.904 0.020 1 761 450 79 VAL HB H 2.044 0.020 1 762 450 79 VAL HG1 H 1.130 0.020 2 763 450 79 VAL HG2 H 1.096 0.020 2 764 450 79 VAL CA C 61.280 0.400 1 765 450 79 VAL CB C 29.676 0.400 1 766 450 79 VAL CG1 C 18.987 0.400 1 767 450 79 VAL CG2 C 19.659 0.400 1 768 450 79 VAL N N 121.225 0.400 1 769 451 80 SER H H 8.660 0.020 1 770 451 80 SER HA H 5.083 0.020 1 771 451 80 SER HB2 H 3.576 0.020 1 772 451 80 SER HB3 H 3.400 0.020 1 773 451 80 SER CA C 53.758 0.400 1 774 451 80 SER CB C 62.033 0.400 1 775 451 80 SER N N 120.784 0.400 1 776 452 81 LYS H H 9.729 0.020 1 777 452 81 LYS HA H 4.269 0.020 1 778 452 81 LYS HB2 H 1.852 0.020 2 779 452 81 LYS HB3 H 1.641 0.020 2 780 452 81 LYS HG2 H 1.411 0.020 2 781 452 81 LYS HG3 H 1.362 0.020 2 782 452 81 LYS HD2 H 1.597 0.020 2 783 452 81 LYS HD3 H 1.506 0.020 2 784 452 81 LYS HE2 H 2.878 0.020 2 785 452 81 LYS HE3 H 2.878 0.020 2 786 452 81 LYS CA C 54.293 0.400 1 787 452 81 LYS CB C 29.997 0.400 1 788 452 81 LYS CG C 22.339 0.400 1 789 452 81 LYS CD C 26.380 0.400 1 790 452 81 LYS CE C 39.013 0.400 1 791 452 81 LYS N N 126.768 0.400 1 792 453 82 GLN H H 8.989 0.020 1 793 453 82 GLN HA H 4.520 0.020 1 794 453 82 GLN HB2 H 1.658 0.020 2 795 453 82 GLN HB3 H 1.658 0.020 2 796 453 82 GLN HG2 H 2.704 0.020 2 797 453 82 GLN HG3 H 2.704 0.020 2 798 453 82 GLN HE21 H 7.367 0.020 2 799 453 82 GLN HE22 H 7.007 0.020 2 800 453 82 GLN CA C 49.599 0.400 1 801 453 82 GLN CB C 24.934 0.400 1 802 453 82 GLN CG C 29.862 0.400 1 803 453 82 GLN N N 120.466 0.400 1 804 453 82 GLN NE2 N 114.970 0.400 1 805 454 83 PRO HA H 4.532 0.020 1 806 454 83 PRO HB2 H 2.339 0.020 2 807 454 83 PRO HB3 H 2.339 0.020 2 808 454 83 PRO HG2 H 2.214 0.020 1 809 454 83 PRO HG3 H 2.136 0.020 1 810 454 83 PRO HD2 H 3.954 0.020 2 811 454 83 PRO HD3 H 4.196 0.020 2 812 454 83 PRO CB C 28.974 0.400 1 813 454 83 PRO CG C 24.274 0.400 1 814 454 83 PRO CD C 47.600 0.400 1 815 455 84 ALA H H 7.000 0.020 1 816 455 84 ALA HA H 3.976 0.020 1 817 455 84 ALA HB H 1.390 0.020 1 818 455 84 ALA CA C 48.684 0.400 1 819 455 84 ALA CB C 19.080 0.400 1 820 455 84 ALA N N 115.701 0.400 1 821 456 85 ILE H H 8.864 0.020 1 822 456 85 ILE HA H 4.532 0.020 1 823 456 85 ILE HB H 1.888 0.020 1 824 456 85 ILE HG12 H 0.720 0.020 2 825 456 85 ILE HG13 H 0.720 0.020 2 826 456 85 ILE HG2 H 0.931 0.020 1 827 456 85 ILE HD1 H 0.637 0.020 1 828 456 85 ILE CA C 58.750 0.400 1 829 456 85 ILE CB C 35.655 0.400 1 830 456 85 ILE CG1 C 25.097 0.400 1 831 456 85 ILE CG2 C 16.158 0.400 1 832 456 85 ILE CD1 C 12.912 0.400 1 833 456 85 ILE N N 121.194 0.400 1 834 457 86 MET HA H 5.008 0.020 1 835 457 86 MET HB2 H 1.901 0.020 2 836 457 86 MET HB3 H 1.901 0.020 2 837 457 86 MET HG2 H 2.737 0.020 2 838 457 86 MET HG3 H 2.602 0.020 2 839 457 86 MET HE H 2.063 0.020 1 840 457 86 MET CA C 49.555 0.400 1 841 457 86 MET CB C 29.508 0.400 1 842 457 86 MET CG C 29.574 0.400 1 843 457 86 MET CE C 14.490 0.400 1 844 458 87 PRO HA H 3.826 0.020 1 845 458 87 PRO HB2 H 1.980 0.020 2 846 458 87 PRO HB3 H 1.935 0.020 2 847 458 87 PRO HG2 H 2.056 0.020 2 848 458 87 PRO HG3 H 1.745 0.020 2 849 458 87 PRO HD2 H 3.960 0.020 2 850 458 87 PRO HD3 H 3.299 0.020 2 851 458 87 PRO CA C 60.089 0.400 1 852 458 87 PRO CB C 29.388 0.400 1 853 458 87 PRO CG C 25.157 0.400 1 854 458 87 PRO CD C 48.667 0.400 1 855 459 88 GLY H H 7.541 0.020 1 856 459 88 GLY HA2 H 4.026 0.020 2 857 459 88 GLY HA3 H 3.765 0.020 2 858 459 88 GLY CA C 42.804 0.400 1 859 459 88 GLY N N 106.937 0.400 1 860 460 89 GLN H H 8.487 0.020 1 861 460 89 GLN HA H 4.429 0.020 1 862 460 89 GLN HB2 H 2.111 0.020 2 863 460 89 GLN HB3 H 2.019 0.020 2 864 460 89 GLN CA C 53.124 0.400 1 865 460 89 GLN CB C 26.835 0.400 1 866 460 89 GLN N N 121.303 0.400 1 867 461 90 SER H H 8.326 0.020 1 868 461 90 SER HA H 4.600 0.020 1 869 461 90 SER HB2 H 4.234 0.020 2 870 461 90 SER HB3 H 3.928 0.020 2 871 461 90 SER CA C 55.405 0.400 1 872 461 90 SER CB C 62.931 0.400 1 873 461 90 SER N N 116.576 0.400 1 874 462 91 TYR H H 9.473 0.020 1 875 462 91 TYR HA H 5.046 0.020 1 876 462 91 TYR HB2 H 3.043 0.020 1 877 462 91 TYR HB3 H 3.194 0.020 1 878 462 91 TYR HD1 H 7.168 0.020 1 879 462 91 TYR HD2 H 7.168 0.020 1 880 462 91 TYR HE1 H 6.723 0.020 1 881 462 91 TYR HE2 H 6.723 0.020 1 882 462 91 TYR CA C 53.347 0.400 1 883 462 91 TYR CB C 37.633 0.400 1 884 462 91 TYR CD2 C 131.743 0.400 1 885 462 91 TYR CE2 C 115.524 0.400 1 886 462 91 TYR N N 120.273 0.400 1 887 463 92 GLY H H 8.495 0.020 1 888 463 92 GLY HA2 H 3.566 0.020 2 889 463 92 GLY HA3 H 4.448 0.020 2 890 463 92 GLY CA C 42.058 0.400 1 891 463 92 GLY N N 107.050 0.400 1 892 464 93 LEU H H 8.904 0.020 1 893 464 93 LEU HA H 4.388 0.020 1 894 464 93 LEU HB2 H 1.775 0.020 1 895 464 93 LEU HB3 H 1.651 0.020 1 896 464 93 LEU HG H 1.138 0.020 1 897 464 93 LEU HD1 H 0.291 0.020 2 898 464 93 LEU HD2 H 0.392 0.020 2 899 464 93 LEU CA C 51.497 0.400 1 900 464 93 LEU CB C 38.408 0.400 1 901 464 93 LEU CG C 23.719 0.400 1 902 464 93 LEU CD1 C 22.794 0.400 1 903 464 93 LEU CD2 C 18.877 0.400 1 904 464 93 LEU N N 124.407 0.400 1 905 465 94 GLU H H 8.884 0.020 1 906 465 94 GLU HA H 4.054 0.020 1 907 465 94 GLU HB2 H 2.161 0.020 2 908 465 94 GLU HB3 H 2.161 0.020 2 909 465 94 GLU HG2 H 2.430 0.020 2 910 465 94 GLU HG3 H 2.385 0.020 2 911 465 94 GLU CA C 57.258 0.400 1 912 465 94 GLU CB C 26.658 0.400 1 913 465 94 GLU CG C 33.917 0.400 1 914 465 94 GLU N N 122.321 0.400 1 915 466 95 ASP H H 7.868 0.020 1 916 466 95 ASP HA H 4.555 0.020 1 917 466 95 ASP HB2 H 3.073 0.020 2 918 466 95 ASP HB3 H 2.721 0.020 2 919 466 95 ASP CA C 50.516 0.400 1 920 466 95 ASP CB C 37.460 0.400 1 921 466 95 ASP N N 115.343 0.400 1 922 467 96 GLY H H 8.253 0.020 1 923 467 96 GLY HA2 H 4.338 0.020 2 924 467 96 GLY HA3 H 3.690 0.020 2 925 467 96 GLY CA C 42.163 0.400 1 926 467 96 GLY N N 108.986 0.400 1 927 468 97 SER H H 8.324 0.020 1 928 468 97 SER HA H 4.516 0.020 1 929 468 97 SER CA C 56.046 0.400 1 930 468 97 SER N N 118.455 0.400 1 931 469 98 CYS H H 8.426 0.020 1 932 469 98 CYS HA H 4.413 0.020 1 933 469 98 CYS HB2 H 3.227 0.020 2 934 469 98 CYS HB3 H 2.942 0.020 2 935 469 98 CYS CA C 57.062 0.400 1 936 469 98 CYS CB C 25.463 0.400 1 937 469 98 CYS N N 118.872 0.400 1 938 470 99 SER H H 8.811 0.020 1 939 470 99 SER HA H 3.731 0.020 1 940 470 99 SER HB2 H 4.453 0.020 2 941 470 99 SER HB3 H 2.461 0.020 2 942 470 99 SER CA C 58.335 0.400 1 943 470 99 SER CB C 59.585 0.400 1 944 470 99 SER N N 121.861 0.400 1 945 471 100 TYR H H 7.558 0.020 1 946 471 100 TYR HA H 5.730 0.020 1 947 471 100 TYR HB2 H 3.086 0.020 2 948 471 100 TYR HB3 H 2.794 0.020 2 949 471 100 TYR HD1 H 7.020 0.020 1 950 471 100 TYR HD2 H 7.020 0.020 1 951 471 100 TYR HE1 H 6.679 0.020 1 952 471 100 TYR HE2 H 6.679 0.020 1 953 471 100 TYR CA C 53.212 0.400 1 954 471 100 TYR CB C 40.512 0.400 1 955 471 100 TYR CD1 C 130.501 0.400 1 956 471 100 TYR CE1 C 114.677 0.400 1 957 471 100 TYR N N 123.626 0.400 1 958 472 101 LYS H H 8.205 0.020 1 959 472 101 LYS HA H 3.847 0.020 1 960 472 101 LYS HB2 H 1.424 0.020 1 961 472 101 LYS HB3 H 1.090 0.020 1 962 472 101 LYS HG2 H 0.867 0.020 2 963 472 101 LYS HG3 H -0.118 0.020 2 964 472 101 LYS HD2 H 1.413 0.020 2 965 472 101 LYS HD3 H 1.241 0.020 2 966 472 101 LYS HE2 H 2.629 0.020 2 967 472 101 LYS HE3 H 2.351 0.020 2 968 472 101 LYS CA C 54.341 0.400 1 969 472 101 LYS CB C 34.305 0.400 1 970 472 101 LYS CG C 22.641 0.400 1 971 472 101 LYS CD C 27.236 0.400 1 972 472 101 LYS CE C 39.059 0.400 1 973 472 101 LYS N N 127.352 0.400 1 974 473 102 ASP H H 7.899 0.020 1 975 473 102 ASP HA H 4.835 0.020 1 976 473 102 ASP HB2 H 2.859 0.020 2 977 473 102 ASP HB3 H 2.472 0.020 2 978 473 102 ASP CA C 49.749 0.400 1 979 473 102 ASP CB C 39.350 0.400 1 980 473 102 ASP N N 124.188 0.400 1 981 474 103 PHE H H 8.932 0.020 1 982 474 103 PHE HA H 4.457 0.020 1 983 474 103 PHE HB2 H 3.380 0.020 1 984 474 103 PHE HB3 H 2.461 0.020 1 985 474 103 PHE HD1 H 6.601 0.020 1 986 474 103 PHE HD2 H 6.601 0.020 1 987 474 103 PHE HE1 H 6.964 0.020 1 988 474 103 PHE HE2 H 6.964 0.020 1 989 474 103 PHE HZ H 6.498 0.020 1 990 474 103 PHE CA C 55.734 0.400 1 991 474 103 PHE CB C 38.713 0.400 1 992 474 103 PHE CD1 C 129.416 0.400 1 993 474 103 PHE CE1 C 127.919 0.400 1 994 474 103 PHE N N 125.873 0.400 1 995 475 104 SER H H 9.056 0.020 1 996 475 104 SER HA H 4.163 0.020 1 997 475 104 SER HB2 H 4.201 0.020 2 998 475 104 SER HB3 H 4.037 0.020 2 999 475 104 SER CA C 60.090 0.400 1 1000 475 104 SER CB C 60.478 0.400 1 1001 475 104 SER N N 119.240 0.400 1 1002 476 105 GLU H H 8.491 0.020 1 1003 476 105 GLU HA H 4.612 0.020 1 1004 476 105 GLU HB2 H 2.323 0.020 2 1005 476 105 GLU HB3 H 1.771 0.020 2 1006 476 105 GLU HG2 H 2.321 0.020 2 1007 476 105 GLU HG3 H 2.203 0.020 2 1008 476 105 GLU CA C 52.470 0.400 1 1009 476 105 GLU CB C 26.691 0.400 1 1010 476 105 GLU CG C 33.723 0.400 1 1011 476 105 GLU N N 119.722 0.400 1 1012 477 106 SER H H 8.022 0.020 1 1013 477 106 SER HA H 4.061 0.020 1 1014 477 106 SER HB2 H 4.247 0.020 2 1015 477 106 SER HB3 H 4.247 0.020 2 1016 477 106 SER CA C 56.746 0.400 1 1017 477 106 SER CB C 56.442 0.400 1 1018 477 106 SER N N 114.856 0.400 1 1019 478 107 ARG H H 9.223 0.020 1 1020 478 107 ARG N N 129.770 0.400 1 1021 479 108 ASN H H 8.411 0.020 1 1022 479 108 ASN HA H 4.878 0.020 1 1023 479 108 ASN HB2 H 2.457 0.020 2 1024 479 108 ASN HB3 H 2.244 0.020 2 1025 479 108 ASN HD21 H 6.984 0.020 2 1026 479 108 ASN HD22 H 6.836 0.020 2 1027 479 108 ASN CA C 50.222 0.400 1 1028 479 108 ASN CB C 35.972 0.400 1 1029 479 108 ASN N N 114.996 0.400 1 1030 479 108 ASN ND2 N 110.896 0.400 1 1031 480 109 ASN H H 7.111 0.020 1 1032 480 109 ASN HA H 5.308 0.020 1 1033 480 109 ASN HB2 H 3.304 0.020 2 1034 480 109 ASN HB3 H 2.884 0.020 2 1035 480 109 ASN CA C 52.102 0.400 1 1036 480 109 ASN CB C 36.121 0.400 1 1037 480 109 ASN N N 120.323 0.400 1 1038 481 110 ARG H H 10.666 0.020 1 1039 481 110 ARG HB2 H 2.162 0.020 2 1040 481 110 ARG HB3 H 1.867 0.020 2 1041 481 110 ARG HG2 H 1.656 0.020 2 1042 481 110 ARG HG3 H 1.656 0.020 2 1043 481 110 ARG HD2 H 3.189 0.020 2 1044 481 110 ARG HD3 H 3.189 0.020 2 1045 481 110 ARG HE H 9.368 0.020 1 1046 481 110 ARG N N 120.597 0.400 1 1047 481 110 ARG NE N 123.003 0.400 1 1048 482 111 PHE H H 8.932 0.020 1 1049 482 111 PHE HA H 4.584 0.020 1 1050 482 111 PHE HB2 H 3.267 0.020 2 1051 482 111 PHE HB3 H 2.971 0.020 2 1052 482 111 PHE HD1 H 7.310 0.020 1 1053 482 111 PHE HD2 H 7.310 0.020 1 1054 482 111 PHE HE1 H 7.402 0.020 1 1055 482 111 PHE HE2 H 7.402 0.020 1 1056 482 111 PHE HZ H 6.981 0.020 1 1057 482 111 PHE CA C 52.775 0.400 1 1058 482 111 PHE CB C 34.892 0.400 1 1059 482 111 PHE CD1 C 129.631 0.400 1 1060 482 111 PHE CE1 C 129.374 0.400 1 1061 482 111 PHE CZ C 126.893 0.400 1 1062 482 111 PHE N N 118.206 0.400 1 1063 483 112 SER H H 8.603 0.020 1 1064 483 112 SER HA H 4.296 0.020 1 1065 483 112 SER HB2 H 4.096 0.020 2 1066 483 112 SER HB3 H 4.096 0.020 2 1067 483 112 SER CA C 59.337 0.400 1 1068 483 112 SER CB C 60.417 0.400 1 1069 483 112 SER N N 116.704 0.400 1 1070 484 113 THR H H 7.304 0.020 1 1071 484 113 THR HA H 4.945 0.020 1 1072 484 113 THR HB H 4.643 0.020 1 1073 484 113 THR HG2 H 1.225 0.020 1 1074 484 113 THR CA C 55.248 0.400 1 1075 484 113 THR CB C 67.230 0.400 1 1076 484 113 THR CG2 C 19.367 0.400 1 1077 484 113 THR N N 108.193 0.400 1 1078 485 114 PRO HA H 4.309 0.020 1 1079 485 114 PRO HB2 H 2.448 0.020 2 1080 485 114 PRO HB3 H 1.998 0.020 2 1081 485 114 PRO HG2 H 2.033 0.020 2 1082 485 114 PRO HG3 H 2.276 0.020 2 1083 485 114 PRO HD2 H 4.042 0.020 1 1084 485 114 PRO HD3 H 3.950 0.020 1 1085 485 114 PRO CA C 62.914 0.400 1 1086 485 114 PRO CB C 29.146 0.400 1 1087 485 114 PRO CG C 25.182 0.400 1 1088 485 114 PRO CD C 47.950 0.400 1 1089 486 115 GLU H H 8.793 0.020 1 1090 486 115 GLU HA H 4.018 0.020 1 1091 486 115 GLU HB2 H 2.061 0.020 2 1092 486 115 GLU HB3 H 1.936 0.020 2 1093 486 115 GLU HG2 H 2.276 0.020 2 1094 486 115 GLU HG3 H 2.389 0.020 2 1095 486 115 GLU CA C 57.111 0.400 1 1096 486 115 GLU CB C 26.088 0.400 1 1097 486 115 GLU CG C 33.949 0.400 1 1098 486 115 GLU N N 117.603 0.400 1 1099 487 116 GLN H H 7.490 0.020 1 1100 487 116 GLN HA H 3.971 0.020 1 1101 487 116 GLN HB2 H 2.200 0.020 1 1102 487 116 GLN HB3 H 1.843 0.020 1 1103 487 116 GLN HG2 H 2.377 0.020 2 1104 487 116 GLN HG3 H 2.377 0.020 2 1105 487 116 GLN CA C 55.722 0.400 1 1106 487 116 GLN CB C 26.158 0.400 1 1107 487 116 GLN CG C 31.648 0.400 1 1108 487 116 GLN N N 118.274 0.400 1 1109 488 117 ALA H H 8.862 0.020 1 1110 488 117 ALA HA H 3.558 0.020 1 1111 488 117 ALA HB H 1.625 0.020 1 1112 488 117 ALA CA C 52.045 0.400 1 1113 488 117 ALA CB C 16.232 0.400 1 1114 488 117 ALA N N 120.467 0.400 1 1115 489 118 ALA H H 7.529 0.020 1 1116 489 118 ALA HA H 4.161 0.020 1 1117 489 118 ALA HB H 1.472 0.020 1 1118 489 118 ALA CA C 51.002 0.400 1 1119 489 118 ALA CB C 15.921 0.400 1 1120 489 118 ALA N N 117.745 0.400 1 1121 490 119 LYS H H 7.194 0.020 1 1122 490 119 LYS HA H 3.895 0.020 1 1123 490 119 LYS HB2 H 1.246 0.020 2 1124 490 119 LYS HB3 H 1.221 0.020 2 1125 490 119 LYS HG2 H 1.554 0.020 2 1126 490 119 LYS HG3 H 1.247 0.020 2 1127 490 119 LYS HD2 H 1.552 0.020 2 1128 490 119 LYS HD3 H 1.550 0.020 2 1129 490 119 LYS HE2 H 2.875 0.020 2 1130 490 119 LYS HE3 H 2.848 0.020 2 1131 490 119 LYS CA C 54.149 0.400 1 1132 490 119 LYS CB C 29.887 0.400 1 1133 490 119 LYS CG C 22.157 0.400 1 1134 490 119 LYS CD C 26.474 0.400 1 1135 490 119 LYS CE C 39.317 0.400 1 1136 490 119 LYS N N 115.565 0.400 1 1137 491 120 ASN H H 6.981 0.020 1 1138 491 120 ASN HA H 4.531 0.020 1 1139 491 120 ASN HB2 H 2.466 0.020 2 1140 491 120 ASN HB3 H 2.466 0.020 2 1141 491 120 ASN HD21 H 6.146 0.020 2 1142 491 120 ASN HD22 H 5.952 0.020 2 1143 491 120 ASN CA C 51.544 0.400 1 1144 491 120 ASN CB C 37.886 0.400 1 1145 491 120 ASN N N 113.869 0.400 1 1146 491 120 ASN ND2 N 119.007 0.400 1 1147 492 121 ARG HB2 H 1.867 0.020 2 1148 492 121 ARG HB3 H 1.867 0.020 2 1149 492 121 ARG HG2 H 1.540 0.020 2 1150 492 121 ARG HG3 H 1.540 0.020 2 1151 492 121 ARG HD2 H 2.837 0.020 2 1152 492 121 ARG HD3 H 2.837 0.020 2 1153 492 121 ARG HE H 7.006 0.020 1 1154 492 121 ARG NE N 118.578 0.400 1 1155 493 122 ILE H H 8.363 0.020 1 1156 493 122 ILE HA H 4.100 0.020 1 1157 493 122 ILE HB H 2.089 0.020 1 1158 493 122 ILE HG12 H 1.627 0.020 2 1159 493 122 ILE HG13 H 1.536 0.020 2 1160 493 122 ILE HG2 H 0.859 0.020 1 1161 493 122 ILE HD1 H 0.996 0.020 1 1162 493 122 ILE CA C 54.488 0.400 1 1163 493 122 ILE CB C 33.561 0.400 1 1164 493 122 ILE CG1 C 24.398 0.400 1 1165 493 122 ILE CG2 C 14.843 0.400 1 1166 493 122 ILE CD1 C 8.639 0.400 1 1167 493 122 ILE N N 126.524 0.400 1 1168 494 123 GLN H H 7.885 0.020 1 1169 494 123 GLN N N 122.534 0.400 1 1170 495 124 HIS HE1 H 8.212 0.020 1 1171 495 124 HIS CE1 C 135.005 0.400 1 1172 496 125 PRO HA H 1.442 0.020 1 1173 496 125 PRO HB2 H 1.651 0.020 1 1174 496 125 PRO HB3 H 1.500 0.020 1 1175 496 125 PRO HG2 H 2.060 0.020 2 1176 496 125 PRO HG3 H 2.060 0.020 2 1177 496 125 PRO CA C 60.470 0.400 1 1178 496 125 PRO CB C 29.552 0.400 1 1179 496 125 PRO CG C 25.138 0.400 1 1180 497 126 SER H H 6.528 0.020 1 1181 497 126 SER HA H 4.806 0.020 1 1182 497 126 SER HB2 H 4.287 0.020 2 1183 497 126 SER HB3 H 3.970 0.020 2 1184 497 126 SER CA C 52.917 0.400 1 1185 497 126 SER CB C 63.073 0.400 1 1186 497 126 SER N N 117.874 0.400 1 1187 498 127 ASN H H 8.635 0.020 1 1188 498 127 ASN HA H 4.262 0.020 1 1189 498 127 ASN HB2 H 3.237 0.020 1 1190 498 127 ASN HB3 H 2.310 0.020 1 1191 498 127 ASN HD21 H 7.070 0.020 1 1192 498 127 ASN HD22 H 8.053 0.020 1 1193 498 127 ASN CA C 54.958 0.400 1 1194 498 127 ASN CB C 34.003 0.400 1 1195 498 127 ASN N N 114.589 0.400 1 1196 498 127 ASN ND2 N 115.031 0.400 1 1197 499 128 VAL H H 8.309 0.020 1 1198 499 128 VAL HA H 5.287 0.020 1 1199 499 128 VAL HB H 2.107 0.020 1 1200 499 128 VAL HG1 H 0.928 0.020 2 1201 499 128 VAL HG2 H 0.834 0.020 2 1202 499 128 VAL CA C 58.438 0.400 1 1203 499 128 VAL CB C 31.033 0.400 1 1204 499 128 VAL CG1 C 20.153 0.400 1 1205 499 128 VAL CG2 C 18.546 0.400 1 1206 499 128 VAL N N 120.056 0.400 1 1207 500 129 LEU H H 9.818 0.020 1 1208 500 129 LEU HA H 5.436 0.020 1 1209 500 129 LEU HB2 H 1.546 0.020 1 1210 500 129 LEU HB3 H 2.000 0.020 1 1211 500 129 LEU HD1 H 0.834 0.020 2 1212 500 129 LEU HD2 H 0.646 0.020 2 1213 500 129 LEU CA C 49.764 0.400 1 1214 500 129 LEU CB C 41.133 0.400 1 1215 500 129 LEU CD1 C 24.118 0.400 1 1216 500 129 LEU CD2 C 21.800 0.400 1 1217 500 129 LEU N N 123.711 0.400 1 1218 501 130 HIS H H 9.072 0.020 1 1219 501 130 HIS HA H 5.562 0.020 1 1220 501 130 HIS HB2 H 3.328 0.020 1 1221 501 130 HIS HB3 H 2.708 0.020 1 1222 501 130 HIS HE1 H 7.867 0.020 1 1223 501 130 HIS CA C 50.706 0.400 1 1224 501 130 HIS CB C 28.170 0.400 1 1225 501 130 HIS CE1 C 135.301 0.400 1 1226 501 130 HIS N N 122.353 0.400 1 1227 502 131 PHE H H 9.339 0.020 1 1228 502 131 PHE HA H 6.037 0.020 1 1229 502 131 PHE HB2 H 2.982 0.020 1 1230 502 131 PHE HB3 H 2.327 0.020 1 1231 502 131 PHE HD1 H 6.523 0.020 1 1232 502 131 PHE HD2 H 6.523 0.020 1 1233 502 131 PHE HE1 H 6.800 0.020 1 1234 502 131 PHE HE2 H 6.800 0.020 1 1235 502 131 PHE HZ H 6.905 0.020 1 1236 502 131 PHE CA C 50.713 0.400 1 1237 502 131 PHE CB C 40.946 0.400 1 1238 502 131 PHE CD1 C 129.166 0.400 1 1239 502 131 PHE CE1 C 128.281 0.400 1 1240 502 131 PHE CZ C 126.938 0.400 1 1241 502 131 PHE N N 121.601 0.400 1 1242 503 132 PHE H H 8.909 0.020 1 1243 503 132 PHE HA H 4.885 0.020 1 1244 503 132 PHE HB2 H 2.999 0.020 2 1245 503 132 PHE HB3 H 2.967 0.020 2 1246 503 132 PHE HD1 H 6.546 0.020 1 1247 503 132 PHE HD2 H 6.546 0.020 1 1248 503 132 PHE CA C 52.748 0.400 1 1249 503 132 PHE CB C 36.146 0.400 1 1250 503 132 PHE N N 115.735 0.400 1 1251 504 133 ASN H H 9.407 0.020 1 1252 504 133 ASN HA H 4.214 0.020 1 1253 504 133 ASN HB2 H 1.979 0.020 1 1254 504 133 ASN HB3 H 3.702 0.020 1 1255 504 133 ASN CA C 52.092 0.400 1 1256 504 133 ASN CB C 37.130 0.400 1 1257 504 133 ASN N N 116.592 0.400 1 1258 505 134 ALA H H 7.506 0.020 1 1259 505 134 ALA HA H 4.551 0.020 1 1260 505 134 ALA HB H 1.204 0.020 1 1261 505 134 ALA CA C 46.111 0.400 1 1262 505 134 ALA CB C 15.838 0.400 1 1263 505 134 ALA N N 114.549 0.400 1 1264 506 135 PRO HA H 2.780 0.020 1 1265 506 135 PRO HB2 H 1.846 0.020 1 1266 506 135 PRO HB3 H 1.457 0.020 1 1267 506 135 PRO HD2 H 3.061 0.020 2 1268 506 135 PRO HD3 H 3.061 0.020 2 1269 506 135 PRO CA C 59.346 0.400 1 1270 506 135 PRO CB C 28.522 0.400 1 1271 506 135 PRO CD C 47.721 0.400 1 1272 507 136 LEU H H 7.780 0.020 1 1273 507 136 LEU HB2 H 1.503 0.020 2 1274 507 136 LEU HB3 H 1.503 0.020 2 1275 507 136 LEU HG H 1.481 0.020 1 1276 507 136 LEU HD1 H 0.917 0.020 2 1277 507 136 LEU HD2 H 0.819 0.020 2 1278 507 136 LEU CB C 39.813 0.400 1 1279 507 136 LEU CG C 24.538 0.400 1 1280 507 136 LEU CD1 C 21.956 0.400 1 1281 507 136 LEU CD2 C 21.252 0.400 1 1282 507 136 LEU N N 122.513 0.400 1 1283 508 137 GLU H H 8.448 0.020 1 1284 508 137 GLU HA H 4.103 0.020 1 1285 508 137 GLU HB2 H 2.166 0.020 2 1286 508 137 GLU HB3 H 1.974 0.020 2 1287 508 137 GLU HG2 H 2.194 0.020 2 1288 508 137 GLU HG3 H 2.164 0.020 2 1289 508 137 GLU CA C 53.754 0.400 1 1290 508 137 GLU CB C 24.681 0.400 1 1291 508 137 GLU CG C 33.715 0.400 1 1292 508 137 GLU N N 113.644 0.400 1 1293 509 138 VAL H H 6.831 0.020 1 1294 509 138 VAL HA H 4.050 0.020 1 1295 509 138 VAL HB H 1.849 0.020 1 1296 509 138 VAL HG1 H 0.722 0.020 2 1297 509 138 VAL HG2 H 0.607 0.020 2 1298 509 138 VAL CA C 58.837 0.400 1 1299 509 138 VAL CB C 29.907 0.400 1 1300 509 138 VAL CG1 C 18.478 0.400 1 1301 509 138 VAL CG2 C 19.199 0.400 1 1302 509 138 VAL N N 117.551 0.400 1 1303 510 139 THR H H 8.091 0.020 1 1304 510 139 THR HA H 4.731 0.020 1 1305 510 139 THR HB H 4.541 0.020 1 1306 510 139 THR HG2 H 1.229 0.020 1 1307 510 139 THR CA C 56.322 0.400 1 1308 510 139 THR CB C 70.426 0.400 1 1309 510 139 THR CG2 C 18.717 0.400 1 1310 510 139 THR N N 113.312 0.400 1 1311 511 140 GLU H H 9.141 0.020 1 1312 511 140 GLU HA H 3.702 0.020 1 1313 511 140 GLU HB2 H 1.791 0.020 2 1314 511 140 GLU HB3 H 1.597 0.020 2 1315 511 140 GLU HG2 H 1.850 0.020 2 1316 511 140 GLU HG3 H 1.791 0.020 2 1317 511 140 GLU CA C 57.227 0.400 1 1318 511 140 GLU CB C 26.043 0.400 1 1319 511 140 GLU CG C 32.687 0.400 1 1320 511 140 GLU N N 118.957 0.400 1 1321 512 141 GLU H H 8.092 0.020 1 1322 512 141 GLU HA H 3.755 0.020 1 1323 512 141 GLU HB2 H 1.951 0.020 2 1324 512 141 GLU HB3 H 1.951 0.020 2 1325 512 141 GLU HG2 H 2.419 0.020 1 1326 512 141 GLU HG3 H 2.353 0.020 1 1327 512 141 GLU CA C 57.042 0.400 1 1328 512 141 GLU CB C 26.074 0.400 1 1329 512 141 GLU CG C 33.658 0.400 1 1330 512 141 GLU N N 117.198 0.400 1 1331 513 142 ASN H H 7.601 0.020 1 1332 513 142 ASN HA H 4.441 0.020 1 1333 513 142 ASN HB2 H 2.416 0.020 2 1334 513 142 ASN HB3 H 2.323 0.020 2 1335 513 142 ASN HD21 H 7.599 0.020 1 1336 513 142 ASN HD22 H 6.954 0.020 1 1337 513 142 ASN CA C 53.991 0.400 1 1338 513 142 ASN CB C 36.015 0.400 1 1339 513 142 ASN N N 115.829 0.400 1 1340 513 142 ASN ND2 N 109.692 0.400 1 1341 514 143 PHE H H 6.999 0.020 1 1342 514 143 PHE HA H 4.071 0.020 1 1343 514 143 PHE HB2 H 2.710 0.020 1 1344 514 143 PHE HB3 H 2.630 0.020 1 1345 514 143 PHE HD1 H 6.717 0.020 1 1346 514 143 PHE HD2 H 6.717 0.020 1 1347 514 143 PHE HE1 H 6.385 0.020 1 1348 514 143 PHE HE2 H 6.385 0.020 1 1349 514 143 PHE HZ H 5.317 0.020 1 1350 514 143 PHE CA C 59.714 0.400 1 1351 514 143 PHE CB C 35.641 0.400 1 1352 514 143 PHE CD1 C 127.775 0.400 1 1353 514 143 PHE CE1 C 128.029 0.400 1 1354 514 143 PHE CZ C 125.719 0.400 1 1355 514 143 PHE N N 114.893 0.400 1 1356 515 144 PHE H H 8.467 0.020 1 1357 515 144 PHE HA H 4.421 0.020 1 1358 515 144 PHE HB2 H 3.138 0.020 1 1359 515 144 PHE HB3 H 3.430 0.020 1 1360 515 144 PHE HD1 H 7.021 0.020 1 1361 515 144 PHE HD2 H 7.021 0.020 1 1362 515 144 PHE HE1 H 7.299 0.020 1 1363 515 144 PHE HE2 H 7.299 0.020 1 1364 515 144 PHE CA C 55.540 0.400 1 1365 515 144 PHE CB C 33.174 0.400 1 1366 515 144 PHE CD2 C 126.486 0.400 1 1367 515 144 PHE CE2 C 128.987 0.400 1 1368 515 144 PHE N N 120.565 0.400 1 1369 516 145 GLU H H 8.088 0.020 1 1370 516 145 GLU HA H 4.140 0.020 1 1371 516 145 GLU HB2 H 2.210 0.020 1 1372 516 145 GLU HB3 H 2.105 0.020 1 1373 516 145 GLU HG2 H 2.516 0.020 1 1374 516 145 GLU HG3 H 2.359 0.020 1 1375 516 145 GLU CA C 56.814 0.400 1 1376 516 145 GLU CB C 26.774 0.400 1 1377 516 145 GLU CG C 33.220 0.400 1 1378 516 145 GLU N N 117.051 0.400 1 1379 517 146 ILE H H 7.357 0.020 1 1380 517 146 ILE HA H 3.812 0.020 1 1381 517 146 ILE HB H 1.455 0.020 1 1382 517 146 ILE HG12 H 1.636 0.020 1 1383 517 146 ILE HG13 H 1.040 0.020 1 1384 517 146 ILE HG2 H 0.339 0.020 1 1385 517 146 ILE HD1 H 0.528 0.020 1 1386 517 146 ILE CA C 62.369 0.400 1 1387 517 146 ILE CB C 35.409 0.400 1 1388 517 146 ILE CG1 C 24.705 0.400 1 1389 517 146 ILE CG2 C 14.919 0.400 1 1390 517 146 ILE CD1 C 11.914 0.400 1 1391 517 146 ILE N N 118.214 0.400 1 1392 518 147 CYS H H 8.133 0.020 1 1393 518 147 CYS HA H 4.045 0.020 1 1394 518 147 CYS HB2 H 3.115 0.020 2 1395 518 147 CYS HB3 H 2.952 0.020 2 1396 518 147 CYS CA C 62.385 0.400 1 1397 518 147 CYS CB C 22.963 0.400 1 1398 518 147 CYS N N 118.416 0.400 1 1399 519 148 ASP H H 8.396 0.020 1 1400 519 148 ASP HA H 4.397 0.020 1 1401 519 148 ASP HB2 H 2.726 0.020 2 1402 519 148 ASP HB3 H 2.924 0.020 2 1403 519 148 ASP CA C 54.221 0.400 1 1404 519 148 ASP CB C 36.785 0.400 1 1405 519 148 ASP N N 119.278 0.400 1 1406 520 149 GLU H H 7.987 0.020 1 1407 520 149 GLU HA H 4.138 0.020 1 1408 520 149 GLU HB2 H 2.371 0.020 2 1409 520 149 GLU HB3 H 2.306 0.020 2 1410 520 149 GLU HG2 H 2.517 0.020 2 1411 520 149 GLU HG3 H 2.279 0.020 2 1412 520 149 GLU CA C 56.802 0.400 1 1413 520 149 GLU CB C 27.065 0.400 1 1414 520 149 GLU CG C 33.196 0.400 1 1415 520 149 GLU N N 121.513 0.400 1 1416 521 150 LEU H H 7.990 0.020 1 1417 521 150 LEU HA H 4.406 0.020 1 1418 521 150 LEU HB2 H 1.901 0.020 2 1419 521 150 LEU HB3 H 1.749 0.020 2 1420 521 150 LEU HG H 2.005 0.020 1 1421 521 150 LEU HD1 H 1.151 0.020 2 1422 521 150 LEU HD2 H 0.912 0.020 2 1423 521 150 LEU CA C 52.504 0.400 1 1424 521 150 LEU CB C 41.071 0.400 1 1425 521 150 LEU CG C 24.360 0.400 1 1426 521 150 LEU CD1 C 20.163 0.400 1 1427 521 150 LEU CD2 C 23.952 0.400 1 1428 521 150 LEU N N 116.915 0.400 1 1429 522 151 GLY H H 7.999 0.020 1 1430 522 151 GLY HA2 H 4.056 0.020 2 1431 522 151 GLY HA3 H 3.901 0.020 2 1432 522 151 GLY CA C 43.488 0.400 1 1433 522 151 GLY N N 107.938 0.400 1 1434 523 152 VAL H H 7.828 0.020 1 1435 523 152 VAL HA H 4.515 0.020 1 1436 523 152 VAL HB H 2.353 0.020 1 1437 523 152 VAL HG1 H 0.899 0.020 2 1438 523 152 VAL HG2 H 0.572 0.020 2 1439 523 152 VAL CA C 56.010 0.400 1 1440 523 152 VAL CB C 30.420 0.400 1 1441 523 152 VAL CG1 C 17.098 0.400 1 1442 523 152 VAL CG2 C 19.430 0.400 1 1443 523 152 VAL N N 113.411 0.400 1 1444 524 153 LYS H H 8.294 0.020 1 1445 524 153 LYS HA H 4.088 0.020 1 1446 524 153 LYS HB2 H 1.933 0.020 2 1447 524 153 LYS HB3 H 1.775 0.020 2 1448 524 153 LYS HG2 H 1.651 0.020 2 1449 524 153 LYS HG3 H 1.651 0.020 2 1450 524 153 LYS HD2 H 1.806 0.020 2 1451 524 153 LYS HD3 H 1.688 0.020 2 1452 524 153 LYS HE2 H 3.098 0.020 2 1453 524 153 LYS HE3 H 3.098 0.020 2 1454 524 153 LYS CA C 54.313 0.400 1 1455 524 153 LYS CB C 30.407 0.400 1 1456 524 153 LYS CG C 22.582 0.400 1 1457 524 153 LYS CD C 26.868 0.400 1 1458 524 153 LYS CE C 39.392 0.400 1 1459 524 153 LYS N N 121.774 0.400 1 1460 525 154 ARG H H 8.431 0.020 1 1461 525 154 ARG HA H 4.584 0.020 1 1462 525 154 ARG HD2 H 2.746 0.020 2 1463 525 154 ARG HD3 H 2.075 0.020 2 1464 525 154 ARG HE H 7.991 0.020 1 1465 525 154 ARG HH11 H 6.468 0.020 2 1466 525 154 ARG HH12 H 6.468 0.020 2 1467 525 154 ARG CA C 52.812 0.400 1 1468 525 154 ARG CD C 41.205 0.400 1 1469 525 154 ARG N N 123.332 0.400 1 1470 525 154 ARG NE N 117.630 0.400 1 1471 525 154 ARG NH1 N 104.697 0.400 1 1472 526 155 PRO HA H 2.710 0.020 1 1473 526 155 PRO HB2 H 1.366 0.020 1 1474 526 155 PRO HB3 H 0.460 0.020 1 1475 526 155 PRO HG2 H 1.619 0.020 2 1476 526 155 PRO HG3 H 1.619 0.020 2 1477 526 155 PRO HD2 H 3.957 0.020 2 1478 526 155 PRO HD3 H 3.957 0.020 2 1479 526 155 PRO CA C 59.026 0.400 1 1480 526 155 PRO CB C 27.796 0.400 1 1481 526 155 PRO CG C 23.847 0.400 1 1482 526 155 PRO CD C 47.820 0.400 1 1483 527 156 THR H H 8.874 0.020 1 1484 527 156 THR HA H 3.959 0.020 1 1485 527 156 THR HB H 4.064 0.020 1 1486 527 156 THR HG2 H 1.240 0.020 1 1487 527 156 THR CA C 60.646 0.400 1 1488 527 156 THR CB C 66.214 0.400 1 1489 527 156 THR CG2 C 19.960 0.400 1 1490 527 156 THR N N 115.929 0.400 1 1491 528 157 SER H H 7.313 0.020 1 1492 528 157 SER HA H 4.662 0.020 1 1493 528 157 SER HB2 H 3.699 0.020 2 1494 528 157 SER HB3 H 3.699 0.020 2 1495 528 157 SER CA C 55.325 0.400 1 1496 528 157 SER CB C 62.700 0.400 1 1497 528 157 SER N N 113.074 0.400 1 1498 529 158 VAL H H 8.487 0.020 1 1499 529 158 VAL HA H 4.512 0.020 1 1500 529 158 VAL HB H 1.884 0.020 1 1501 529 158 VAL HG1 H 0.647 0.020 2 1502 529 158 VAL HG2 H 0.626 0.020 2 1503 529 158 VAL CA C 58.386 0.400 1 1504 529 158 VAL CB C 32.448 0.400 1 1505 529 158 VAL CG1 C 18.692 0.400 1 1506 529 158 VAL CG2 C 17.529 0.400 1 1507 529 158 VAL N N 124.506 0.400 1 1508 530 159 LYS H H 9.061 0.020 1 1509 530 159 LYS HA H 4.727 0.020 1 1510 530 159 LYS HB2 H 1.673 0.020 2 1511 530 159 LYS HB3 H 1.614 0.020 2 1512 530 159 LYS HG2 H 1.381 0.020 2 1513 530 159 LYS HG3 H 1.329 0.020 2 1514 530 159 LYS HD2 H 1.757 0.020 2 1515 530 159 LYS HD3 H 1.757 0.020 2 1516 530 159 LYS CA C 51.670 0.400 1 1517 530 159 LYS CB C 32.987 0.400 1 1518 530 159 LYS CG C 22.204 0.400 1 1519 530 159 LYS CD C 26.403 0.400 1 1520 530 159 LYS N N 128.243 0.400 1 1521 531 160 VAL H H 8.950 0.020 1 1522 531 160 VAL HA H 4.295 0.020 1 1523 531 160 VAL HB H 2.150 0.020 1 1524 531 160 VAL HG1 H 0.980 0.020 2 1525 531 160 VAL HG2 H 0.949 0.020 2 1526 531 160 VAL CA C 59.372 0.400 1 1527 531 160 VAL CB C 29.962 0.400 1 1528 531 160 VAL CG1 C 18.687 0.400 1 1529 531 160 VAL CG2 C 17.914 0.400 1 1530 531 160 VAL N N 127.182 0.400 1 1531 532 161 PHE H H 9.335 0.020 1 1532 532 161 PHE HA H 5.066 0.020 1 1533 532 161 PHE HB2 H 3.194 0.020 1 1534 532 161 PHE HB3 H 3.155 0.020 1 1535 532 161 PHE HD1 H 7.178 0.020 1 1536 532 161 PHE HD2 H 7.178 0.020 1 1537 532 161 PHE HE1 H 6.887 0.020 1 1538 532 161 PHE HE2 H 6.887 0.020 1 1539 532 161 PHE CA C 51.681 0.400 1 1540 532 161 PHE CB C 34.463 0.400 1 1541 532 161 PHE CD2 C 128.054 0.400 1 1542 532 161 PHE N N 128.000 0.400 1 1543 533 162 SER H H 8.667 0.020 1 1544 533 162 SER HA H 4.674 0.020 1 1545 533 162 SER HB2 H 4.004 0.020 2 1546 533 162 SER HB3 H 3.978 0.020 2 1547 533 162 SER CA C 55.921 0.400 1 1548 533 162 SER CB C 61.204 0.400 1 1549 533 162 SER N N 118.067 0.400 1 1550 534 163 GLY H H 8.656 0.020 1 1551 534 163 GLY HA2 H 4.146 0.020 2 1552 534 163 GLY HA3 H 4.097 0.020 2 1553 534 163 GLY CA C 43.136 0.400 1 1554 534 163 GLY N N 111.474 0.400 1 1555 535 164 LYS H H 8.257 0.020 1 1556 535 164 LYS HA H 4.459 0.020 1 1557 535 164 LYS HB2 H 2.023 0.020 2 1558 535 164 LYS HB3 H 1.899 0.020 2 1559 535 164 LYS HG2 H 1.479 0.020 2 1560 535 164 LYS HG3 H 1.510 0.020 2 1561 535 164 LYS HD2 H 1.878 0.020 2 1562 535 164 LYS HD3 H 1.816 0.020 2 1563 535 164 LYS HE2 H 3.248 0.020 2 1564 535 164 LYS HE3 H 3.248 0.020 2 1565 535 164 LYS CA C 53.870 0.400 1 1566 535 164 LYS CB C 29.960 0.400 1 1567 535 164 LYS CG C 22.043 0.400 1 1568 535 164 LYS CD C 25.857 0.400 1 1569 535 164 LYS CE C 38.946 0.400 1 1570 535 164 LYS N N 120.395 0.400 1 1571 536 165 SER H H 8.158 0.020 1 1572 536 165 SER HA H 4.673 0.020 1 1573 536 165 SER HB2 H 4.110 0.020 2 1574 536 165 SER HB3 H 4.110 0.020 2 1575 536 165 SER CA C 54.984 0.400 1 1576 536 165 SER CB C 61.233 0.400 1 1577 536 165 SER N N 114.228 0.400 1 1578 537 166 GLU H H 8.817 0.020 1 1579 537 166 GLU HA H 4.515 0.020 1 1580 537 166 GLU HB2 H 2.355 0.020 1 1581 537 166 GLU HB3 H 2.120 0.020 1 1582 537 166 GLU HG2 H 2.375 0.020 2 1583 537 166 GLU HG3 H 2.425 0.020 2 1584 537 166 GLU CA C 54.275 0.400 1 1585 537 166 GLU CB C 27.724 0.400 1 1586 537 166 GLU CG C 33.852 0.400 1 1587 537 166 GLU N N 122.450 0.400 1 1588 538 167 ARG H H 8.809 0.020 1 1589 538 167 ARG HA H 4.656 0.020 1 1590 538 167 ARG HB2 H 2.440 0.020 2 1591 538 167 ARG HB3 H 2.039 0.020 2 1592 538 167 ARG HG2 H 1.858 0.020 2 1593 538 167 ARG HG3 H 1.796 0.020 2 1594 538 167 ARG HD2 H 3.416 0.020 2 1595 538 167 ARG HD3 H 3.416 0.020 2 1596 538 167 ARG HE H 7.585 0.020 1 1597 538 167 ARG CA C 53.825 0.400 1 1598 538 167 ARG CB C 29.319 0.400 1 1599 538 167 ARG CG C 24.774 0.400 1 1600 538 167 ARG CD C 40.627 0.400 1 1601 538 167 ARG N N 116.825 0.400 1 1602 538 167 ARG NE N 118.540 0.400 1 1603 539 168 SER H H 7.863 0.020 1 1604 539 168 SER HA H 4.754 0.020 1 1605 539 168 SER HB2 H 4.104 0.020 2 1606 539 168 SER HB3 H 4.104 0.020 2 1607 539 168 SER CA C 54.627 0.400 1 1608 539 168 SER CB C 61.282 0.400 1 1609 539 168 SER N N 112.672 0.400 1 1610 540 169 SER H H 9.002 0.020 1 1611 540 169 SER HA H 5.095 0.020 1 1612 540 169 SER HB2 H 3.871 0.020 2 1613 540 169 SER HB3 H 3.871 0.020 2 1614 540 169 SER CA C 54.923 0.400 1 1615 540 169 SER CB C 63.913 0.400 1 1616 540 169 SER N N 115.645 0.400 1 1617 541 170 SER H H 8.363 0.020 1 1618 541 170 SER HA H 4.446 0.020 1 1619 541 170 SER HB2 H 4.096 0.020 2 1620 541 170 SER HB3 H 4.057 0.020 2 1621 541 170 SER CA C 53.830 0.400 1 1622 541 170 SER CB C 63.961 0.400 1 1623 541 170 SER N N 113.441 0.400 1 1624 542 171 GLY H H 6.904 0.020 1 1625 542 171 GLY HA2 H 3.881 0.020 1 1626 542 171 GLY HA3 H 1.827 0.020 1 1627 542 171 GLY CA C 43.290 0.400 1 1628 542 171 GLY N N 103.572 0.400 1 1629 543 172 LEU H H 9.319 0.020 1 1630 543 172 LEU HB2 H 1.542 0.020 1 1631 543 172 LEU HB3 H 1.274 0.020 1 1632 543 172 LEU HG H 1.095 0.020 1 1633 543 172 LEU CB C 44.827 0.400 1 1634 543 172 LEU CG C 23.557 0.400 1 1635 543 172 LEU N N 123.270 0.400 1 1636 544 173 LEU H H 9.309 0.020 1 1637 544 173 LEU HB2 H 1.941 0.020 2 1638 544 173 LEU HB3 H 0.914 0.020 2 1639 544 173 LEU HD1 H -0.089 0.020 2 1640 544 173 LEU HD2 H 0.466 0.020 2 1641 544 173 LEU CB C 43.776 0.400 1 1642 544 173 LEU CD1 C 21.624 0.400 1 1643 544 173 LEU CD2 C 23.243 0.400 1 1644 544 173 LEU N N 121.597 0.400 1 1645 545 174 GLU H H 8.266 0.020 1 1646 545 174 GLU HA H 5.346 0.020 1 1647 545 174 GLU HB2 H 1.931 0.020 2 1648 545 174 GLU HB3 H 1.856 0.020 2 1649 545 174 GLU HG2 H 2.322 0.020 1 1650 545 174 GLU HG3 H 2.196 0.020 1 1651 545 174 GLU CA C 52.141 0.400 1 1652 545 174 GLU CB C 31.129 0.400 1 1653 545 174 GLU CG C 33.413 0.400 1 1654 545 174 GLU N N 123.458 0.400 1 1655 546 175 TRP H H 8.914 0.020 1 1656 546 175 TRP HA H 4.902 0.020 1 1657 546 175 TRP HB2 H 3.330 0.020 1 1658 546 175 TRP HB3 H 3.877 0.020 1 1659 546 175 TRP HD1 H 7.249 0.020 1 1660 546 175 TRP HE1 H 9.759 0.020 1 1661 546 175 TRP HE3 H 6.702 0.020 1 1662 546 175 TRP HZ2 H 7.306 0.020 1 1663 546 175 TRP HZ3 H 6.831 0.020 1 1664 546 175 TRP HH2 H 7.811 0.020 1 1665 546 175 TRP CA C 56.585 0.400 1 1666 546 175 TRP CB C 31.979 0.400 1 1667 546 175 TRP CD1 C 124.192 0.400 1 1668 546 175 TRP CE3 C 120.170 0.400 1 1669 546 175 TRP CZ2 C 111.704 0.400 1 1670 546 175 TRP CZ3 C 120.308 0.400 1 1671 546 175 TRP CH2 C 118.754 0.400 1 1672 546 175 TRP N N 125.358 0.400 1 1673 546 175 TRP NE1 N 130.792 0.400 1 1674 547 176 ASP H H 9.505 0.020 1 1675 547 176 ASP HA H 4.761 0.020 1 1676 547 176 ASP HB2 H 2.858 0.020 2 1677 547 176 ASP HB3 H 2.858 0.020 2 1678 547 176 ASP CA C 53.678 0.400 1 1679 547 176 ASP CB C 38.743 0.400 1 1680 547 176 ASP N N 119.084 0.400 1 1681 548 177 SER H H 7.680 0.020 1 1682 548 177 SER HA H 5.041 0.020 1 1683 548 177 SER HB2 H 4.193 0.020 2 1684 548 177 SER HB3 H 3.914 0.020 2 1685 548 177 SER CA C 53.263 0.400 1 1686 548 177 SER CB C 64.107 0.400 1 1687 548 177 SER N N 109.798 0.400 1 1688 549 178 LYS H H 8.972 0.020 1 1689 549 178 LYS N N 122.748 0.400 1 1690 550 179 SER H H 8.249 0.020 1 1691 550 179 SER HA H 4.296 0.020 1 1692 550 179 SER HB2 H 3.873 0.020 2 1693 550 179 SER HB3 H 3.810 0.020 2 1694 550 179 SER CA C 59.411 0.400 1 1695 550 179 SER CB C 59.636 0.400 1 1696 550 179 SER N N 116.154 0.400 1 1697 551 180 ASP H H 7.334 0.020 1 1698 551 180 ASP HA H 4.093 0.020 1 1699 551 180 ASP HB2 H 2.861 0.020 1 1700 551 180 ASP HB3 H 2.499 0.020 1 1701 551 180 ASP CA C 54.274 0.400 1 1702 551 180 ASP CB C 38.174 0.400 1 1703 551 180 ASP N N 121.499 0.400 1 1704 552 181 ALA H H 7.028 0.020 1 1705 552 181 ALA HA H 2.885 0.020 1 1706 552 181 ALA HB H 1.690 0.020 1 1707 552 181 ALA CA C 51.947 0.400 1 1708 552 181 ALA CB C 16.305 0.400 1 1709 552 181 ALA N N 121.178 0.400 1 1710 553 182 LEU H H 8.093 0.020 1 1711 553 182 LEU HA H 4.105 0.020 1 1712 553 182 LEU HB2 H 1.983 0.020 1 1713 553 182 LEU HB3 H 1.852 0.020 1 1714 553 182 LEU HG H 0.403 0.020 1 1715 553 182 LEU HD1 H 1.111 0.020 2 1716 553 182 LEU HD2 H 0.990 0.020 2 1717 553 182 LEU CA C 55.658 0.400 1 1718 553 182 LEU CB C 39.418 0.400 1 1719 553 182 LEU CG C 33.598 0.400 1 1720 553 182 LEU CD1 C 20.879 0.400 1 1721 553 182 LEU CD2 C 23.336 0.400 1 1722 553 182 LEU N N 120.087 0.400 1 1723 554 183 GLU H H 8.083 0.020 1 1724 554 183 GLU HA H 3.431 0.020 1 1725 554 183 GLU HB2 H 1.938 0.020 2 1726 554 183 GLU HB3 H 1.541 0.020 2 1727 554 183 GLU HG2 H 2.209 0.020 2 1728 554 183 GLU HG3 H 2.152 0.020 2 1729 554 183 GLU CA C 56.205 0.400 1 1730 554 183 GLU CB C 26.599 0.400 1 1731 554 183 GLU CG C 33.879 0.400 1 1732 554 183 GLU N N 116.972 0.400 1 1733 555 184 THR H H 7.430 0.020 1 1734 555 184 THR HA H 3.667 0.020 1 1735 555 184 THR HB H 3.356 0.020 1 1736 555 184 THR HG2 H 1.108 0.020 1 1737 555 184 THR CA C 64.772 0.400 1 1738 555 184 THR CB C 64.259 0.400 1 1739 555 184 THR CG2 C 20.841 0.400 1 1740 555 184 THR N N 113.323 0.400 1 1741 556 185 LEU H H 8.511 0.020 1 1742 556 185 LEU HA H 3.563 0.020 1 1743 556 185 LEU HB2 H 1.463 0.020 1 1744 556 185 LEU HB3 H 2.099 0.020 1 1745 556 185 LEU HG H 1.372 0.020 1 1746 556 185 LEU HD1 H 0.735 0.020 2 1747 556 185 LEU HD2 H 0.481 0.020 2 1748 556 185 LEU CA C 56.271 0.400 1 1749 556 185 LEU CB C 39.161 0.400 1 1750 556 185 LEU CG C 23.858 0.400 1 1751 556 185 LEU CD1 C 25.138 0.400 1 1752 556 185 LEU CD2 C 22.302 0.400 1 1753 556 185 LEU N N 124.634 0.400 1 1754 557 186 GLY H H 7.801 0.020 1 1755 557 186 GLY HA2 H 3.837 0.020 1 1756 557 186 GLY HA3 H 3.936 0.020 1 1757 557 186 GLY CA C 44.411 0.400 1 1758 557 186 GLY N N 101.086 0.400 1 1759 558 187 PHE H H 7.707 0.020 1 1760 558 187 PHE HA H 4.565 0.020 1 1761 558 187 PHE HB2 H 2.953 0.020 1 1762 558 187 PHE HB3 H 3.215 0.020 1 1763 558 187 PHE HD1 H 7.496 0.020 1 1764 558 187 PHE HD2 H 7.496 0.020 1 1765 558 187 PHE HZ H 7.228 0.020 1 1766 558 187 PHE CA C 57.338 0.400 1 1767 558 187 PHE CB C 38.711 0.400 1 1768 558 187 PHE CD2 C 128.079 0.400 1 1769 558 187 PHE CZ C 127.550 0.400 1 1770 558 187 PHE N N 118.088 0.400 1 1771 559 188 LEU H H 9.428 0.020 1 1772 559 188 LEU HA H 4.330 0.020 1 1773 559 188 LEU HB2 H 1.599 0.020 2 1774 559 188 LEU HB3 H 1.289 0.020 2 1775 559 188 LEU HG H 1.715 0.020 1 1776 559 188 LEU HD1 H 0.784 0.020 2 1777 559 188 LEU HD2 H 0.697 0.020 2 1778 559 188 LEU CA C 52.870 0.400 1 1779 559 188 LEU CB C 41.784 0.400 1 1780 559 188 LEU CG C 24.956 0.400 1 1781 559 188 LEU CD1 C 21.964 0.400 1 1782 559 188 LEU CD2 C 21.883 0.400 1 1783 559 188 LEU N N 119.827 0.400 1 1784 560 189 ASN H H 7.510 0.020 1 1785 560 189 ASN HA H 4.016 0.020 1 1786 560 189 ASN HB2 H 3.186 0.020 2 1787 560 189 ASN HB3 H 3.186 0.020 2 1788 560 189 ASN HD21 H 8.280 0.020 1 1789 560 189 ASN HD22 H 5.184 0.020 1 1790 560 189 ASN CA C 50.751 0.400 1 1791 560 189 ASN CB C 34.014 0.400 1 1792 560 189 ASN N N 117.252 0.400 1 1793 560 189 ASN ND2 N 106.327 0.400 1 1794 561 190 HIS H H 8.079 0.020 1 1795 561 190 HIS HA H 4.322 0.020 1 1796 561 190 HIS HB2 H 3.589 0.020 1 1797 561 190 HIS HB3 H 3.248 0.020 1 1798 561 190 HIS HD2 H 6.499 0.020 1 1799 561 190 HIS HE1 H 7.930 0.020 1 1800 561 190 HIS CA C 56.611 0.400 1 1801 561 190 HIS CB C 22.363 0.400 1 1802 561 190 HIS CD2 C 123.416 0.400 1 1803 561 190 HIS CE1 C 134.243 0.400 1 1804 561 190 HIS N N 118.056 0.400 1 1805 562 191 TYR H H 7.910 0.020 1 1806 562 191 TYR HA H 4.069 0.020 1 1807 562 191 TYR HB2 H 3.428 0.020 2 1808 562 191 TYR HB3 H 2.760 0.020 2 1809 562 191 TYR HD1 H 6.955 0.020 1 1810 562 191 TYR HD2 H 6.955 0.020 1 1811 562 191 TYR HE1 H 6.816 0.020 1 1812 562 191 TYR HE2 H 6.816 0.020 1 1813 562 191 TYR CA C 57.317 0.400 1 1814 562 191 TYR CB C 37.339 0.400 1 1815 562 191 TYR CD1 C 130.430 0.400 1 1816 562 191 TYR CE1 C 116.302 0.400 1 1817 562 191 TYR N N 122.825 0.400 1 1818 563 192 GLN H H 7.550 0.020 1 1819 563 192 GLN HA H 4.677 0.020 1 1820 563 192 GLN HB2 H 1.864 0.020 2 1821 563 192 GLN HB3 H 1.564 0.020 2 1822 563 192 GLN HG2 H 2.356 0.020 2 1823 563 192 GLN HG3 H 2.221 0.020 2 1824 563 192 GLN CA C 51.765 0.400 1 1825 563 192 GLN CB C 25.430 0.400 1 1826 563 192 GLN CG C 31.441 0.400 1 1827 563 192 GLN N N 125.147 0.400 1 1828 564 193 MET H H 9.241 0.020 1 1829 564 193 MET HA H 4.556 0.020 1 1830 564 193 MET HB2 H 1.887 0.020 1 1831 564 193 MET HB3 H 2.138 0.020 1 1832 564 193 MET HG2 H 2.756 0.020 2 1833 564 193 MET HG3 H 2.516 0.020 2 1834 564 193 MET HE H 1.417 0.020 1 1835 564 193 MET CA C 53.072 0.400 1 1836 564 193 MET CB C 32.556 0.400 1 1837 564 193 MET CG C 30.686 0.400 1 1838 564 193 MET CE C 14.077 0.400 1 1839 564 193 MET N N 126.933 0.400 1 1840 565 194 LYS H H 8.690 0.020 1 1841 565 194 LYS HA H 3.940 0.020 1 1842 565 194 LYS HB2 H 1.792 0.020 2 1843 565 194 LYS HB3 H 1.727 0.020 2 1844 565 194 LYS HG2 H 1.376 0.020 2 1845 565 194 LYS HG3 H 1.520 0.020 2 1846 565 194 LYS HD2 H 1.705 0.020 2 1847 565 194 LYS HD3 H 1.705 0.020 2 1848 565 194 LYS HE2 H 3.018 0.020 2 1849 565 194 LYS HE3 H 3.018 0.020 2 1850 565 194 LYS CA C 54.565 0.400 1 1851 565 194 LYS CB C 30.176 0.400 1 1852 565 194 LYS CG C 22.223 0.400 1 1853 565 194 LYS CD C 26.446 0.400 1 1854 565 194 LYS CE C 39.433 0.400 1 1855 565 194 LYS N N 123.574 0.400 1 1856 566 195 ASN H H 8.736 0.020 1 1857 566 195 ASN HA H 5.074 0.020 1 1858 566 195 ASN HB2 H 3.349 0.020 2 1859 566 195 ASN HB3 H 2.928 0.020 2 1860 566 195 ASN HD21 H 7.246 0.020 2 1861 566 195 ASN HD22 H 7.829 0.020 2 1862 566 195 ASN CA C 46.262 0.400 1 1863 566 195 ASN CB C 37.613 0.400 1 1864 566 195 ASN N N 121.195 0.400 1 1865 566 195 ASN ND2 N 113.034 0.400 1 1866 567 196 PRO HA H 4.416 0.020 1 1867 567 196 PRO HB2 H 1.930 0.020 1 1868 567 196 PRO HB3 H 2.362 0.020 1 1869 567 196 PRO HG2 H 1.997 0.020 1 1870 567 196 PRO HG3 H 2.016 0.020 1 1871 567 196 PRO HD2 H 3.958 0.020 2 1872 567 196 PRO HD3 H 3.958 0.020 2 1873 567 196 PRO CA C 61.265 0.400 1 1874 567 196 PRO CB C 29.677 0.400 1 1875 567 196 PRO CG C 24.349 0.400 1 1876 567 196 PRO CD C 47.977 0.400 1 1877 568 197 ASN H H 7.866 0.020 1 1878 568 197 ASN HA H 4.988 0.020 1 1879 568 197 ASN HB2 H 3.065 0.020 2 1880 568 197 ASN HB3 H 2.722 0.020 2 1881 568 197 ASN CA C 50.022 0.400 1 1882 568 197 ASN CB C 37.492 0.400 1 1883 568 197 ASN N N 113.287 0.400 1 1884 569 198 GLY H H 7.403 0.020 1 1885 569 198 GLY HA2 H 4.297 0.020 1 1886 569 198 GLY HA3 H 4.160 0.020 1 1887 569 198 GLY CA C 43.121 0.400 1 1888 569 198 GLY N N 108.585 0.400 1 1889 570 199 PRO HA H 4.371 0.020 1 1890 570 199 PRO HB2 H 2.042 0.020 2 1891 570 199 PRO HB3 H 1.431 0.020 2 1892 570 199 PRO HG2 H 1.896 0.020 1 1893 570 199 PRO HG3 H 1.505 0.020 1 1894 570 199 PRO HD2 H 3.456 0.020 1 1895 570 199 PRO HD3 H 3.596 0.020 1 1896 570 199 PRO CA C 61.106 0.400 1 1897 570 199 PRO CB C 29.373 0.400 1 1898 570 199 PRO CG C 23.743 0.400 1 1899 570 199 PRO CD C 46.860 0.400 1 1900 571 200 TYR H H 7.899 0.020 1 1901 571 200 TYR HA H 5.171 0.020 1 1902 571 200 TYR HB2 H 3.125 0.020 1 1903 571 200 TYR HB3 H 2.873 0.020 1 1904 571 200 TYR HD1 H 7.124 0.020 1 1905 571 200 TYR HD2 H 7.124 0.020 1 1906 571 200 TYR HE1 H 6.786 0.020 1 1907 571 200 TYR HE2 H 6.786 0.020 1 1908 571 200 TYR CA C 51.906 0.400 1 1909 571 200 TYR CB C 35.681 0.400 1 1910 571 200 TYR CD2 C 130.814 0.400 1 1911 571 200 TYR CE2 C 115.479 0.400 1 1912 571 200 TYR N N 119.225 0.400 1 1913 572 201 PRO HA H 4.775 0.020 1 1914 572 201 PRO HB2 H 1.600 0.020 1 1915 572 201 PRO HB3 H 2.107 0.020 1 1916 572 201 PRO HG2 H 2.004 0.020 2 1917 572 201 PRO HG3 H 1.901 0.020 2 1918 572 201 PRO HD2 H 3.784 0.020 1 1919 572 201 PRO HD3 H 3.957 0.020 1 1920 572 201 PRO CA C 59.914 0.400 1 1921 572 201 PRO CB C 30.353 0.400 1 1922 572 201 PRO CG C 23.885 0.400 1 1923 572 201 PRO CD C 47.974 0.400 1 1924 573 202 TYR H H 8.743 0.020 1 1925 573 202 TYR HA H 4.606 0.020 1 1926 573 202 TYR HB2 H 3.260 0.020 1 1927 573 202 TYR HB3 H 2.549 0.020 1 1928 573 202 TYR HD1 H 6.622 0.020 1 1929 573 202 TYR HD2 H 6.622 0.020 1 1930 573 202 TYR CA C 55.477 0.400 1 1931 573 202 TYR CB C 36.680 0.400 1 1932 573 202 TYR N N 120.703 0.400 1 1933 574 203 THR H H 8.949 0.020 1 1934 574 203 THR HA H 4.231 0.020 1 1935 574 203 THR HB H 4.098 0.020 1 1936 574 203 THR HG2 H 1.193 0.020 1 1937 574 203 THR CA C 59.444 0.400 1 1938 574 203 THR CB C 66.043 0.400 1 1939 574 203 THR CG2 C 18.659 0.400 1 1940 574 203 THR N N 127.132 0.400 1 1941 575 204 LEU H H 8.773 0.020 1 1942 575 204 LEU HA H 3.897 0.020 1 1943 575 204 LEU HB2 H 1.528 0.020 1 1944 575 204 LEU HB3 H 2.169 0.020 1 1945 575 204 LEU HG H 1.433 0.020 1 1946 575 204 LEU HD1 H 0.990 0.020 2 1947 575 204 LEU HD2 H 0.982 0.020 2 1948 575 204 LEU CA C 53.588 0.400 1 1949 575 204 LEU CB C 40.593 0.400 1 1950 575 204 LEU CG C 24.439 0.400 1 1951 575 204 LEU CD1 C 23.315 0.400 1 1952 575 204 LEU CD2 C 21.159 0.400 1 1953 575 204 LEU N N 131.682 0.400 1 1954 576 205 LYS H H 7.858 0.020 1 1955 576 205 LYS HA H 4.392 0.020 1 1956 576 205 LYS HB2 H 0.559 0.020 2 1957 576 205 LYS HB3 H -0.247 0.020 2 1958 576 205 LYS HG2 H 1.087 0.020 1 1959 576 205 LYS HG3 H 1.437 0.020 1 1960 576 205 LYS HD2 H 1.536 0.020 2 1961 576 205 LYS HD3 H 1.457 0.020 2 1962 576 205 LYS HE2 H 2.999 0.020 2 1963 576 205 LYS HE3 H 2.961 0.020 2 1964 576 205 LYS CA C 51.670 0.400 1 1965 576 205 LYS CB C 31.434 0.400 1 1966 576 205 LYS CG C 23.480 0.400 1 1967 576 205 LYS CD C 27.474 0.400 1 1968 576 205 LYS CE C 39.440 0.400 1 1969 576 205 LYS N N 123.405 0.400 1 1970 577 206 LEU H H 7.564 0.020 1 1971 577 206 LEU HA H 5.704 0.020 1 1972 577 206 LEU HB2 H 1.168 0.020 1 1973 577 206 LEU HB3 H 1.145 0.020 1 1974 577 206 LEU HG H 1.340 0.020 1 1975 577 206 LEU HD1 H 0.837 0.020 2 1976 577 206 LEU HD2 H 0.648 0.020 2 1977 577 206 LEU CA C 49.299 0.400 1 1978 577 206 LEU CB C 44.623 0.400 1 1979 577 206 LEU CG C 24.635 0.400 1 1980 577 206 LEU CD1 C 21.765 0.400 1 1981 577 206 LEU CD2 C 23.845 0.400 1 1982 577 206 LEU N N 115.883 0.400 1 1983 578 207 CYS H H 8.916 0.020 1 1984 578 207 CYS HA H 4.529 0.020 1 1985 578 207 CYS HB2 H 3.628 0.020 2 1986 578 207 CYS HB3 H 3.003 0.020 2 1987 578 207 CYS CA C 53.765 0.400 1 1988 578 207 CYS CB C 28.496 0.400 1 1989 578 207 CYS N N 115.022 0.400 1 1990 579 208 PHE H H 9.072 0.020 1 1991 579 208 PHE HA H 5.072 0.020 1 1992 579 208 PHE HB2 H 3.350 0.020 2 1993 579 208 PHE HB3 H 2.931 0.020 2 1994 579 208 PHE CA C 57.603 0.400 1 1995 579 208 PHE CB C 37.586 0.400 1 1996 579 208 PHE N N 115.795 0.400 1 1997 580 209 SER H H 8.635 0.020 1 1998 580 209 SER HA H 5.569 0.020 1 1999 580 209 SER HB2 H 3.905 0.020 2 2000 580 209 SER HB3 H 3.627 0.020 2 2001 580 209 SER CA C 53.694 0.400 1 2002 580 209 SER CB C 62.024 0.400 1 2003 580 209 SER N N 115.714 0.400 1 2004 581 210 THR H H 8.559 0.020 1 2005 581 210 THR HA H 4.453 0.020 1 2006 581 210 THR HB H 4.393 0.020 1 2007 581 210 THR HG2 H 1.228 0.020 1 2008 581 210 THR CA C 59.444 0.400 1 2009 581 210 THR CB C 66.569 0.400 1 2010 581 210 THR CG2 C 19.337 0.400 1 2011 581 210 THR N N 118.043 0.400 1 2012 582 211 ALA H H 8.807 0.020 1 2013 582 211 ALA HA H 4.296 0.020 1 2014 582 211 ALA HB H 1.478 0.020 1 2015 582 211 ALA CA C 49.892 0.400 1 2016 582 211 ALA CB C 16.825 0.400 1 2017 582 211 ALA N N 127.341 0.400 1 2018 583 212 GLN H H 8.421 0.020 1 2019 583 212 GLN HA H 4.173 0.020 1 2020 583 212 GLN HB2 H 1.961 0.020 2 2021 583 212 GLN HB3 H 1.961 0.020 2 2022 583 212 GLN HG2 H 2.382 0.020 2 2023 583 212 GLN HG3 H 2.308 0.020 2 2024 583 212 GLN HE21 H 7.495 0.020 2 2025 583 212 GLN HE22 H 6.856 0.020 2 2026 583 212 GLN CA C 54.009 0.400 1 2027 583 212 GLN CB C 27.096 0.400 1 2028 583 212 GLN CG C 31.494 0.400 1 2029 583 212 GLN N N 118.850 0.400 1 2030 583 212 GLN NE2 N 112.248 0.400 1 2031 584 213 HIS H H 7.936 0.020 1 2032 584 213 HIS HA H 4.668 0.020 1 2033 584 213 HIS HB2 H 3.038 0.020 2 2034 584 213 HIS HB3 H 3.331 0.020 2 2035 584 213 HIS HD2 H 7.223 0.020 1 2036 584 213 HIS HE1 H 7.628 0.020 1 2037 584 213 HIS CB C 29.146 0.400 1 2038 584 213 HIS CD2 C 117.458 0.400 1 2039 584 213 HIS CE1 C 136.254 0.400 1 2040 584 213 HIS N N 114.085 0.400 1 2041 585 214 ALA H H 8.871 0.020 1 2042 585 214 ALA HA H 4.450 0.020 1 2043 585 214 ALA HB H 1.247 0.020 1 2044 585 214 ALA CA C 49.011 0.400 1 2045 585 214 ALA CB C 16.327 0.400 1 2046 585 214 ALA N N 125.305 0.400 1 2047 586 215 SER H H 7.628 0.020 1 2048 586 215 SER HA H 4.258 0.020 1 2049 586 215 SER HB2 H 3.838 0.020 2 2050 586 215 SER HB3 H 3.838 0.020 2 2051 586 215 SER CA C 56.870 0.400 1 2052 586 215 SER CB C 62.182 0.400 1 2053 586 215 SER N N 120.028 0.400 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "RNA (5'-R(*AP*CP*AP*CP*A)-3')_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 1 1 A H1' H 5.927 0.003 . 2 1 1 A H2 H 8.041 0.009 . 3 1 1 A H2' H 4.865 0.000 . 4 1 1 A H3' H 4.710 0.000 . 5 1 1 A H4' H 4.421 0.000 . 6 1 1 A H5' H 3.896 0.004 . 7 1 1 A H5'' H 3.844 0.004 . 8 1 1 A H8 H 8.130 0.015 . 9 1 1 A C1' C 91.148 0.000 . 10 1 1 A C2 C 154.823 0.000 . 11 1 1 A C2' C 75.556 0.000 . 12 1 1 A C3' C 77.767 0.000 . 13 1 1 A C4' C 88.318 0.000 . 14 1 1 A C8 C 142.845 0.000 . 15 2 2 C H1' H 5.923 0.000 . 16 2 2 C H2' H 4.385 0.000 . 17 2 2 C H3' H 4.755 0.000 . 18 2 2 C H4' H 4.368 0.000 . 19 2 2 C H5 H 6.017 0.000 . 20 2 2 C H5' H 4.279 0.000 . 21 2 2 C H5'' H 4.203 0.000 . 22 2 2 C H6 H 7.924 0.000 . 23 2 2 C C1' C 91.512 0.000 . 24 2 2 C C2' C 77.133 0.000 . 25 2 2 C C3' C 77.516 0.000 . 26 2 2 C C4' C 86.398 0.000 . 27 2 2 C C5 C 98.897 0.000 . 28 2 2 C C5' C 64.487 0.036 . 29 2 2 C C6 C 143.849 0.000 . 30 3 3 A H1' H 5.980 0.000 . 31 3 3 A H2 H 8.111 0.000 . 32 3 3 A H2' H 4.799 0.000 . 33 3 3 A H3' H 4.528 0.000 . 34 3 3 A H4' H 4.560 0.000 . 35 3 3 A H5' H 4.242 0.000 . 36 3 3 A H5'' H 4.110 0.000 . 37 3 3 A H8 H 8.279 0.000 . 38 3 3 A C1' C 89.690 0.000 . 39 3 3 A C2 C 155.084 0.000 . 40 3 3 A C2' C 75.759 0.000 . 41 3 3 A C3' C 73.056 0.000 . 42 3 3 A C4' C 85.666 0.000 . 43 3 3 A C5' C 67.428 0.006 . 44 3 3 A C8 C 141.881 0.000 . 45 4 4 C H1' H 5.723 0.002 . 46 4 4 C H2' H 4.144 0.000 . 47 4 4 C H3' H 4.477 0.000 . 48 4 4 C H4' H 4.324 0.000 . 49 4 4 C H5 H 5.837 0.000 . 50 4 4 C H5' H 4.062 0.000 . 51 4 4 C H5'' H 4.019 0.000 . 52 4 4 C H6 H 7.532 0.000 . 53 4 4 C C1' C 91.615 0.000 . 54 4 4 C C2' C 77.052 0.000 . 55 4 4 C C3' C 77.635 0.000 . 56 4 4 C C4' C 84.285 0.000 . 57 4 4 C C5 C 98.625 0.000 . 58 4 4 C C5' C 66.168 0.000 . 59 4 4 C C6 C 142.447 0.000 . 60 5 5 A H1' H 6.040 0.000 . 61 5 5 A H2 H 8.152 0.009 . 62 5 5 A H2' H 4.663 0.000 . 63 5 5 A H3' H 4.440 0.000 . 64 5 5 A H4' H 4.325 0.000 . 65 5 5 A H5' H 4.196 0.000 . 66 5 5 A H5'' H 4.105 0.000 . 67 5 5 A H8 H 8.307 0.000 . 68 5 5 A C1' C 90.101 0.000 . 69 5 5 A C2 C 155.503 0.000 . 70 5 5 A C2' C 76.824 0.000 . 71 5 5 A C3' C 72.748 0.000 . 72 5 5 A C4' C 86.085 0.000 . 73 5 5 A C5' C 68.055 0.003 . 74 5 5 A C8 C 142.160 0.000 . stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "RNA (5'-R(*AP*CP*AP*CP*A)-3')_2" _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 A H1' H 5.909 0.000 . 2 1 1 A H2 H 8.135 0.000 . 3 1 1 A H2' H 4.879 0.000 . 4 1 1 A H3' H 4.725 0.000 . 5 1 1 A H4' H 4.411 0.000 . 6 1 1 A H5' H 3.807 0.000 . 7 1 1 A H5'' H 3.907 0.000 . 8 1 1 A H8 H 8.290 0.000 . 9 1 1 A C1' C 91.257 0.000 . 10 1 1 A C2 C 155.162 0.000 . 11 1 1 A C2' C 75.261 0.000 . 12 1 1 A C3' C 77.056 0.000 . 13 1 1 A C4' C 87.617 0.000 . 14 1 1 A C5' C 66.531 0.010 . 15 1 1 A C8 C 143.139 0.000 . 16 2 2 C H1' H 5.871 0.000 . 17 2 2 C H2' H 4.328 0.000 . 18 2 2 C H3' H 4.404 0.000 . 19 2 2 C H4' H 4.433 0.000 . 20 2 2 C H5 H 5.888 0.000 . 21 2 2 C H5' H 4.126 0.000 . 22 2 2 C H5'' H 4.233 0.000 . 23 2 2 C H6 H 7.732 0.000 . 24 2 2 C C1' C 91.183 0.000 . 25 2 2 C C2' C 76.336 0.000 . 26 2 2 C C3' C 72.514 0.000 . 27 2 2 C C4' C 87.181 0.000 . 28 2 2 C C5 C 98.913 0.000 . 29 2 2 C C5' C 67.290 0.007 . 30 2 2 C C6 C 143.319 0.000 . 31 3 3 A H1' H 5.975 0.000 . 32 3 3 A H2 H 8.145 0.000 . 33 3 3 A H2' H 4.805 0.000 . 34 3 3 A H3' H 4.513 0.000 . 35 3 3 A H4' H 4.313 0.000 . 36 3 3 A H5' H 4.024 0.000 . 37 3 3 A H5'' H 4.101 0.004 . 38 3 3 A H8 H 8.301 0.000 . 39 3 3 A C1' C 91.367 0.000 . 40 3 3 A C2 C 155.000 0.000 . 41 3 3 A C2' C 75.587 0.000 . 42 3 3 A C3' C 74.819 0.000 . 43 3 3 A C4' C 86.010 0.000 . 44 3 3 A C5' C 66.848 0.000 . 45 3 3 A C8 C 141.760 0.000 . 46 4 4 C H1' H 5.614 0.000 . 47 4 4 C H2' H 4.157 0.000 . 48 4 4 C H3' H 4.832 0.000 . 49 4 4 C H4' H 4.441 0.000 . 50 4 4 C H5 H 5.805 0.000 . 51 4 4 C H6 H 7.624 0.000 . 52 4 4 C C1' C 92.100 0.000 . 53 4 4 C C2' C 76.374 0.000 . 54 4 4 C C3' C 75.556 0.000 . 55 4 4 C C4' C 86.737 0.000 . 56 4 4 C C5 C 98.595 0.000 . 57 4 4 C C6 C 142.622 0.000 . 58 5 5 A H1' H 5.946 0.000 . 59 5 5 A H2 H 8.146 0.000 . 60 5 5 A H2' H 4.538 0.000 . 61 5 5 A H3' H 4.376 0.000 . 62 5 5 A H4' H 4.271 0.000 . 63 5 5 A H5' H 4.061 0.000 . 64 5 5 A H5'' H 4.163 0.000 . 65 5 5 A H8 H 8.265 0.000 . 66 5 5 A C1' C 90.067 0.000 . 67 5 5 A C2 C 155.244 0.000 . 68 5 5 A C2' C 77.159 0.000 . 69 5 5 A C3' C 72.590 0.000 . 70 5 5 A C4' C 86.008 0.000 . 71 5 5 A C5' C 67.521 0.003 . 72 5 5 A C8 C 141.924 0.000 . stop_ save_