data_19885 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19885 _Entry.Title ; Backbone 1H, 13C, and 15N; and VL 13CH3 Side-chain Chemical Shift Assignments for SENP1 Catalytic Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-01 _Entry.Accession_date 2014-04-01 _Entry.Last_release_date 2014-09-26 _Entry.Original_release_date 2014-09-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrew Namanja . T. . 19885 2 Chih-Hong Chen . . . 19885 3 Yuan Chen . . . 19885 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19885 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 19885 '15N chemical shifts' 215 19885 '1H chemical shifts' 389 19885 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-26 2014-04-01 original author . 19885 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19083 'Backbone 1H, 13C, and 15N; and VL 13CH3 Side-chain Chemical Shift Assignments for Mutant SENP1 C603S Catalytic Domain' 19885 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19885 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Conformational flexibility and changes underlying activation of the SUMO-specific protease SENP1 by remote substrate binding' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chih-Hong Chen . . . 19885 1 2 Andrew Namanja . T . 19885 1 3 Yuan Chen . . . 19885 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Allostery 19885 1 NMR 19885 1 SENP 19885 1 SUMO 19885 1 Ubiquitin 19885 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19885 _Assembly.ID 1 _Assembly.Name SENP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SENP1 1 $SENP1 A . yes native no no . . . 19885 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SENP1 _Entity.Sf_category entity _Entity.Sf_framecode SENP1 _Entity.Entry_ID 19885 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SENP1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHENLYFQGEFPEIT EEMEKEIKNVFRNGNQDEVL SEAFRLTITRKDIQTLNHLN WLNDEIINFYMNMLMERSKE KGLPSVHAFNTFFFTKLKTA GYQAVKRWTKKVDVFSVDIL LVPIHLGVHWCLAVVDFRKK NITYYDSMGGINNEACRILL QYLKQESIDKKRKEFDTNGW QLFSKKSQEIPQQMNGSDCG MFACKYADCITKDRPINFTQ QHMPYFRKRMVWEILHRKLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first 14 residues (MHHHHHHENLYFQG) at the N-terminus represent a non-native His-tag and TEV recognition sequence. The residues that follow represent the catalytic domain of human sentrin-specific protease 1 (SENP1) E419 to L644. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28608 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19083 . SENP1 . . . . . 100.00 240 99.58 99.58 1.18e-178 . . . . 19885 1 2 no PDB 2CKG . "The Structure Of Senp1 Sumo-2 Co-Complex Suggests A Structural Basis For Discrimination Between Sumo Paralogues During Processi" . . . . . 94.17 225 99.56 99.56 7.17e-165 . . . . 19885 1 3 no PDB 2CKH . "Senp1-sumo2 Complex" . . . . . 94.17 225 99.56 99.56 7.17e-165 . . . . 19885 1 4 no PDB 2G4D . "Crystal Structure Of Human Senp1 Mutant (C603s) In Complex With Sumo-1" . . . . . 85.42 205 99.51 99.51 7.99e-150 . . . . 19885 1 5 no PDB 2IY0 . "Senp1 (Mutant) Sumo1 Rangap" . . . . . 94.17 226 99.56 99.56 1.82e-166 . . . . 19885 1 6 no PDB 2IY1 . "Senp1 (Mutant) Full Length Sumo1" . . . . . 94.17 226 99.56 99.56 1.82e-166 . . . . 19885 1 7 no PDB 2IYC . "Senp1 Native Structure" . . . . . 94.17 226 100.00 100.00 1.77e-167 . . . . 19885 1 8 no PDB 2IYD . "Senp1 Covalent Complex With Sumo-2" . . . . . 94.17 226 100.00 100.00 1.77e-167 . . . . 19885 1 9 no PDB 2XPH . "Crystal Structure Of Human Senp1 With The Bound Cobalt" . . . . . 95.00 238 99.12 99.56 1.10e-167 . . . . 19885 1 10 no PDB 2XRE . "Detection Of Cobalt In Previously Unassigned Human Senp1 Structure" . . . . . 95.00 230 99.12 99.56 1.57e-167 . . . . 19885 1 11 no DBJ BAC26011 . "unnamed protein product [Mus musculus]" . . . . . 95.00 640 97.37 99.12 3.59e-163 . . . . 19885 1 12 no DBJ BAC26106 . "unnamed protein product [Mus musculus]" . . . . . 95.00 319 97.37 99.12 1.17e-166 . . . . 19885 1 13 no DBJ BAC40442 . "unnamed protein product [Mus musculus]" . . . . . 95.00 640 96.93 98.68 3.87e-162 . . . . 19885 1 14 no DBJ BAF84749 . "unnamed protein product [Homo sapiens]" . . . . . 95.00 644 99.12 99.56 6.09e-166 . . . . 19885 1 15 no EMBL CAH90949 . "hypothetical protein [Pongo abelii]" . . . . . 95.00 645 99.12 99.56 5.57e-166 . . . . 19885 1 16 no GB AAF31171 . "sentrin/SUMO-specific protease [Homo sapiens]" . . . . . 95.00 643 98.68 99.12 2.24e-163 . . . . 19885 1 17 no GB AAH23129 . "SUMO1/sentrin specific peptidase 1 [Mus musculus]" . . . . . 95.00 640 97.37 99.12 3.59e-163 . . . . 19885 1 18 no GB AAH45639 . "SUMO1/sentrin specific peptidase 1 [Homo sapiens]" . . . . . 95.00 644 99.12 99.56 7.48e-166 . . . . 19885 1 19 no GB AIC60034 . "SENP1, partial [synthetic construct]" . . . . . 95.00 644 99.12 99.56 7.48e-166 . . . . 19885 1 20 no GB EAW57971 . "SUMO1/sentrin specific peptidase 1, isoform CRA_a [Homo sapiens]" . . . . . 95.00 675 98.68 99.12 7.40e-163 . . . . 19885 1 21 no REF NP_001129011 . "sentrin-specific protease 1 [Pongo abelii]" . . . . . 95.00 645 99.12 99.56 5.57e-166 . . . . 19885 1 22 no REF NP_001193805 . "sentrin-specific protease 1 [Bos taurus]" . . . . . 95.00 645 98.25 99.12 1.51e-164 . . . . 19885 1 23 no REF NP_001254523 . "sentrin-specific protease 1 [Homo sapiens]" . . . . . 95.00 644 99.12 99.56 6.09e-166 . . . . 19885 1 24 no REF NP_001254524 . "sentrin-specific protease 1 [Homo sapiens]" . . . . . 95.00 644 99.12 99.56 6.09e-166 . . . . 19885 1 25 no REF NP_659100 . "sentrin-specific protease 1 [Mus musculus]" . . . . . 95.00 640 97.37 99.12 3.59e-163 . . . . 19885 1 26 no SP P59110 . "RecName: Full=Sentrin-specific protease 1; AltName: Full=SUMO-1 protease 2; Short=SuPr-2; AltName: Full=Sentrin/SUMO-specific p" . . . . . 95.00 640 97.37 99.12 3.59e-163 . . . . 19885 1 27 no SP Q5RBB1 . "RecName: Full=Sentrin-specific protease 1; AltName: Full=Sentrin/SUMO-specific protease SENP1" . . . . . 95.00 645 99.12 99.56 5.57e-166 . . . . 19885 1 28 no SP Q9P0U3 . "RecName: Full=Sentrin-specific protease 1; AltName: Full=Sentrin/SUMO-specific protease SENP1" . . . . . 95.00 644 99.12 99.56 6.09e-166 . . . . 19885 1 29 no TPG DAA29877 . "TPA: SUMO1/sentrin specific peptidase 1 [Bos taurus]" . . . . . 95.00 646 98.25 99.12 1.56e-164 . . . . 19885 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'SUMO1/sentrin specific peptidase 1' 19885 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -14 MET . 19885 1 2 -13 HIS . 19885 1 3 -12 HIS . 19885 1 4 -11 HIS . 19885 1 5 -10 HIS . 19885 1 6 -9 HIS . 19885 1 7 -8 HIS . 19885 1 8 -7 GLU . 19885 1 9 -6 ASN . 19885 1 10 -5 LEU . 19885 1 11 -4 TYR . 19885 1 12 -3 PHE . 19885 1 13 -2 GLN . 19885 1 14 -1 GLY . 19885 1 15 419 GLU . 19885 1 16 420 PHE . 19885 1 17 421 PRO . 19885 1 18 422 GLU . 19885 1 19 423 ILE . 19885 1 20 424 THR . 19885 1 21 425 GLU . 19885 1 22 426 GLU . 19885 1 23 427 MET . 19885 1 24 428 GLU . 19885 1 25 429 LYS . 19885 1 26 430 GLU . 19885 1 27 431 ILE . 19885 1 28 432 LYS . 19885 1 29 433 ASN . 19885 1 30 434 VAL . 19885 1 31 435 PHE . 19885 1 32 436 ARG . 19885 1 33 437 ASN . 19885 1 34 438 GLY . 19885 1 35 439 ASN . 19885 1 36 440 GLN . 19885 1 37 441 ASP . 19885 1 38 442 GLU . 19885 1 39 443 VAL . 19885 1 40 444 LEU . 19885 1 41 445 SER . 19885 1 42 446 GLU . 19885 1 43 447 ALA . 19885 1 44 448 PHE . 19885 1 45 449 ARG . 19885 1 46 450 LEU . 19885 1 47 451 THR . 19885 1 48 452 ILE . 19885 1 49 453 THR . 19885 1 50 454 ARG . 19885 1 51 455 LYS . 19885 1 52 456 ASP . 19885 1 53 457 ILE . 19885 1 54 458 GLN . 19885 1 55 459 THR . 19885 1 56 460 LEU . 19885 1 57 461 ASN . 19885 1 58 462 HIS . 19885 1 59 463 LEU . 19885 1 60 464 ASN . 19885 1 61 465 TRP . 19885 1 62 466 LEU . 19885 1 63 467 ASN . 19885 1 64 468 ASP . 19885 1 65 469 GLU . 19885 1 66 470 ILE . 19885 1 67 471 ILE . 19885 1 68 472 ASN . 19885 1 69 473 PHE . 19885 1 70 474 TYR . 19885 1 71 475 MET . 19885 1 72 476 ASN . 19885 1 73 477 MET . 19885 1 74 478 LEU . 19885 1 75 479 MET . 19885 1 76 480 GLU . 19885 1 77 481 ARG . 19885 1 78 482 SER . 19885 1 79 483 LYS . 19885 1 80 484 GLU . 19885 1 81 485 LYS . 19885 1 82 486 GLY . 19885 1 83 487 LEU . 19885 1 84 488 PRO . 19885 1 85 489 SER . 19885 1 86 490 VAL . 19885 1 87 491 HIS . 19885 1 88 492 ALA . 19885 1 89 493 PHE . 19885 1 90 494 ASN . 19885 1 91 495 THR . 19885 1 92 496 PHE . 19885 1 93 497 PHE . 19885 1 94 498 PHE . 19885 1 95 499 THR . 19885 1 96 500 LYS . 19885 1 97 501 LEU . 19885 1 98 502 LYS . 19885 1 99 503 THR . 19885 1 100 504 ALA . 19885 1 101 505 GLY . 19885 1 102 506 TYR . 19885 1 103 507 GLN . 19885 1 104 508 ALA . 19885 1 105 509 VAL . 19885 1 106 510 LYS . 19885 1 107 511 ARG . 19885 1 108 512 TRP . 19885 1 109 513 THR . 19885 1 110 514 LYS . 19885 1 111 515 LYS . 19885 1 112 516 VAL . 19885 1 113 517 ASP . 19885 1 114 518 VAL . 19885 1 115 519 PHE . 19885 1 116 520 SER . 19885 1 117 521 VAL . 19885 1 118 522 ASP . 19885 1 119 523 ILE . 19885 1 120 524 LEU . 19885 1 121 525 LEU . 19885 1 122 526 VAL . 19885 1 123 527 PRO . 19885 1 124 528 ILE . 19885 1 125 529 HIS . 19885 1 126 530 LEU . 19885 1 127 531 GLY . 19885 1 128 532 VAL . 19885 1 129 533 HIS . 19885 1 130 534 TRP . 19885 1 131 535 CYS . 19885 1 132 536 LEU . 19885 1 133 537 ALA . 19885 1 134 538 VAL . 19885 1 135 539 VAL . 19885 1 136 540 ASP . 19885 1 137 541 PHE . 19885 1 138 542 ARG . 19885 1 139 543 LYS . 19885 1 140 544 LYS . 19885 1 141 545 ASN . 19885 1 142 546 ILE . 19885 1 143 547 THR . 19885 1 144 548 TYR . 19885 1 145 549 TYR . 19885 1 146 550 ASP . 19885 1 147 551 SER . 19885 1 148 552 MET . 19885 1 149 553 GLY . 19885 1 150 554 GLY . 19885 1 151 555 ILE . 19885 1 152 556 ASN . 19885 1 153 557 ASN . 19885 1 154 558 GLU . 19885 1 155 559 ALA . 19885 1 156 560 CYS . 19885 1 157 561 ARG . 19885 1 158 562 ILE . 19885 1 159 563 LEU . 19885 1 160 564 LEU . 19885 1 161 565 GLN . 19885 1 162 566 TYR . 19885 1 163 567 LEU . 19885 1 164 568 LYS . 19885 1 165 569 GLN . 19885 1 166 570 GLU . 19885 1 167 571 SER . 19885 1 168 572 ILE . 19885 1 169 573 ASP . 19885 1 170 574 LYS . 19885 1 171 575 LYS . 19885 1 172 576 ARG . 19885 1 173 577 LYS . 19885 1 174 578 GLU . 19885 1 175 579 PHE . 19885 1 176 580 ASP . 19885 1 177 581 THR . 19885 1 178 582 ASN . 19885 1 179 583 GLY . 19885 1 180 584 TRP . 19885 1 181 585 GLN . 19885 1 182 586 LEU . 19885 1 183 587 PHE . 19885 1 184 588 SER . 19885 1 185 589 LYS . 19885 1 186 590 LYS . 19885 1 187 591 SER . 19885 1 188 592 GLN . 19885 1 189 593 GLU . 19885 1 190 594 ILE . 19885 1 191 595 PRO . 19885 1 192 596 GLN . 19885 1 193 597 GLN . 19885 1 194 598 MET . 19885 1 195 599 ASN . 19885 1 196 600 GLY . 19885 1 197 601 SER . 19885 1 198 602 ASP . 19885 1 199 603 CYS . 19885 1 200 604 GLY . 19885 1 201 605 MET . 19885 1 202 606 PHE . 19885 1 203 607 ALA . 19885 1 204 608 CYS . 19885 1 205 609 LYS . 19885 1 206 610 TYR . 19885 1 207 611 ALA . 19885 1 208 612 ASP . 19885 1 209 613 CYS . 19885 1 210 614 ILE . 19885 1 211 615 THR . 19885 1 212 616 LYS . 19885 1 213 617 ASP . 19885 1 214 618 ARG . 19885 1 215 619 PRO . 19885 1 216 620 ILE . 19885 1 217 621 ASN . 19885 1 218 622 PHE . 19885 1 219 623 THR . 19885 1 220 624 GLN . 19885 1 221 625 GLN . 19885 1 222 626 HIS . 19885 1 223 627 MET . 19885 1 224 628 PRO . 19885 1 225 629 TYR . 19885 1 226 630 PHE . 19885 1 227 631 ARG . 19885 1 228 632 LYS . 19885 1 229 633 ARG . 19885 1 230 634 MET . 19885 1 231 635 VAL . 19885 1 232 636 TRP . 19885 1 233 637 GLU . 19885 1 234 638 ILE . 19885 1 235 639 LEU . 19885 1 236 640 HIS . 19885 1 237 641 ARG . 19885 1 238 642 LYS . 19885 1 239 643 LEU . 19885 1 240 644 LEU . 19885 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19885 1 . HIS 2 2 19885 1 . HIS 3 3 19885 1 . HIS 4 4 19885 1 . HIS 5 5 19885 1 . HIS 6 6 19885 1 . HIS 7 7 19885 1 . GLU 8 8 19885 1 . ASN 9 9 19885 1 . LEU 10 10 19885 1 . TYR 11 11 19885 1 . PHE 12 12 19885 1 . GLN 13 13 19885 1 . GLY 14 14 19885 1 . GLU 15 15 19885 1 . PHE 16 16 19885 1 . PRO 17 17 19885 1 . GLU 18 18 19885 1 . ILE 19 19 19885 1 . THR 20 20 19885 1 . GLU 21 21 19885 1 . GLU 22 22 19885 1 . MET 23 23 19885 1 . GLU 24 24 19885 1 . LYS 25 25 19885 1 . GLU 26 26 19885 1 . ILE 27 27 19885 1 . LYS 28 28 19885 1 . ASN 29 29 19885 1 . VAL 30 30 19885 1 . PHE 31 31 19885 1 . ARG 32 32 19885 1 . ASN 33 33 19885 1 . GLY 34 34 19885 1 . ASN 35 35 19885 1 . GLN 36 36 19885 1 . ASP 37 37 19885 1 . GLU 38 38 19885 1 . VAL 39 39 19885 1 . LEU 40 40 19885 1 . SER 41 41 19885 1 . GLU 42 42 19885 1 . ALA 43 43 19885 1 . PHE 44 44 19885 1 . ARG 45 45 19885 1 . LEU 46 46 19885 1 . THR 47 47 19885 1 . ILE 48 48 19885 1 . THR 49 49 19885 1 . ARG 50 50 19885 1 . LYS 51 51 19885 1 . ASP 52 52 19885 1 . ILE 53 53 19885 1 . GLN 54 54 19885 1 . THR 55 55 19885 1 . LEU 56 56 19885 1 . ASN 57 57 19885 1 . HIS 58 58 19885 1 . LEU 59 59 19885 1 . ASN 60 60 19885 1 . TRP 61 61 19885 1 . LEU 62 62 19885 1 . ASN 63 63 19885 1 . ASP 64 64 19885 1 . GLU 65 65 19885 1 . ILE 66 66 19885 1 . ILE 67 67 19885 1 . ASN 68 68 19885 1 . PHE 69 69 19885 1 . TYR 70 70 19885 1 . MET 71 71 19885 1 . ASN 72 72 19885 1 . MET 73 73 19885 1 . LEU 74 74 19885 1 . MET 75 75 19885 1 . GLU 76 76 19885 1 . ARG 77 77 19885 1 . SER 78 78 19885 1 . LYS 79 79 19885 1 . GLU 80 80 19885 1 . LYS 81 81 19885 1 . GLY 82 82 19885 1 . LEU 83 83 19885 1 . PRO 84 84 19885 1 . SER 85 85 19885 1 . VAL 86 86 19885 1 . HIS 87 87 19885 1 . ALA 88 88 19885 1 . PHE 89 89 19885 1 . ASN 90 90 19885 1 . THR 91 91 19885 1 . PHE 92 92 19885 1 . PHE 93 93 19885 1 . PHE 94 94 19885 1 . THR 95 95 19885 1 . LYS 96 96 19885 1 . LEU 97 97 19885 1 . LYS 98 98 19885 1 . THR 99 99 19885 1 . ALA 100 100 19885 1 . GLY 101 101 19885 1 . TYR 102 102 19885 1 . GLN 103 103 19885 1 . ALA 104 104 19885 1 . VAL 105 105 19885 1 . LYS 106 106 19885 1 . ARG 107 107 19885 1 . TRP 108 108 19885 1 . THR 109 109 19885 1 . LYS 110 110 19885 1 . LYS 111 111 19885 1 . VAL 112 112 19885 1 . ASP 113 113 19885 1 . VAL 114 114 19885 1 . PHE 115 115 19885 1 . SER 116 116 19885 1 . VAL 117 117 19885 1 . ASP 118 118 19885 1 . ILE 119 119 19885 1 . LEU 120 120 19885 1 . LEU 121 121 19885 1 . VAL 122 122 19885 1 . PRO 123 123 19885 1 . ILE 124 124 19885 1 . HIS 125 125 19885 1 . LEU 126 126 19885 1 . GLY 127 127 19885 1 . VAL 128 128 19885 1 . HIS 129 129 19885 1 . TRP 130 130 19885 1 . CYS 131 131 19885 1 . LEU 132 132 19885 1 . ALA 133 133 19885 1 . VAL 134 134 19885 1 . VAL 135 135 19885 1 . ASP 136 136 19885 1 . PHE 137 137 19885 1 . ARG 138 138 19885 1 . LYS 139 139 19885 1 . LYS 140 140 19885 1 . ASN 141 141 19885 1 . ILE 142 142 19885 1 . THR 143 143 19885 1 . TYR 144 144 19885 1 . TYR 145 145 19885 1 . ASP 146 146 19885 1 . SER 147 147 19885 1 . MET 148 148 19885 1 . GLY 149 149 19885 1 . GLY 150 150 19885 1 . ILE 151 151 19885 1 . ASN 152 152 19885 1 . ASN 153 153 19885 1 . GLU 154 154 19885 1 . ALA 155 155 19885 1 . CYS 156 156 19885 1 . ARG 157 157 19885 1 . ILE 158 158 19885 1 . LEU 159 159 19885 1 . LEU 160 160 19885 1 . GLN 161 161 19885 1 . TYR 162 162 19885 1 . LEU 163 163 19885 1 . LYS 164 164 19885 1 . GLN 165 165 19885 1 . GLU 166 166 19885 1 . SER 167 167 19885 1 . ILE 168 168 19885 1 . ASP 169 169 19885 1 . LYS 170 170 19885 1 . LYS 171 171 19885 1 . ARG 172 172 19885 1 . LYS 173 173 19885 1 . GLU 174 174 19885 1 . PHE 175 175 19885 1 . ASP 176 176 19885 1 . THR 177 177 19885 1 . ASN 178 178 19885 1 . GLY 179 179 19885 1 . TRP 180 180 19885 1 . GLN 181 181 19885 1 . LEU 182 182 19885 1 . PHE 183 183 19885 1 . SER 184 184 19885 1 . LYS 185 185 19885 1 . LYS 186 186 19885 1 . SER 187 187 19885 1 . GLN 188 188 19885 1 . GLU 189 189 19885 1 . ILE 190 190 19885 1 . PRO 191 191 19885 1 . GLN 192 192 19885 1 . GLN 193 193 19885 1 . MET 194 194 19885 1 . ASN 195 195 19885 1 . GLY 196 196 19885 1 . SER 197 197 19885 1 . ASP 198 198 19885 1 . CYS 199 199 19885 1 . GLY 200 200 19885 1 . MET 201 201 19885 1 . PHE 202 202 19885 1 . ALA 203 203 19885 1 . CYS 204 204 19885 1 . LYS 205 205 19885 1 . TYR 206 206 19885 1 . ALA 207 207 19885 1 . ASP 208 208 19885 1 . CYS 209 209 19885 1 . ILE 210 210 19885 1 . THR 211 211 19885 1 . LYS 212 212 19885 1 . ASP 213 213 19885 1 . ARG 214 214 19885 1 . PRO 215 215 19885 1 . ILE 216 216 19885 1 . ASN 217 217 19885 1 . PHE 218 218 19885 1 . THR 219 219 19885 1 . GLN 220 220 19885 1 . GLN 221 221 19885 1 . HIS 222 222 19885 1 . MET 223 223 19885 1 . PRO 224 224 19885 1 . TYR 225 225 19885 1 . PHE 226 226 19885 1 . ARG 227 227 19885 1 . LYS 228 228 19885 1 . ARG 229 229 19885 1 . MET 230 230 19885 1 . VAL 231 231 19885 1 . TRP 232 232 19885 1 . GLU 233 233 19885 1 . ILE 234 234 19885 1 . LEU 235 235 19885 1 . HIS 236 236 19885 1 . ARG 237 237 19885 1 . LYS 238 238 19885 1 . LEU 239 239 19885 1 . LEU 240 240 19885 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19885 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SENP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19885 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19885 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SENP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET11 . . . . . . 19885 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19885 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'For stereospecific assignments of Val/Leu methyls' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SENP1 '[U-10% 13C; U-100% 15N]' . . 1 $SENP1 . . 0.4 0.3 0.5 mM . . . . 19885 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19885 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-13C, U-15N, U-2H sample contained selective 1H at Val and Leu methyl groups. 6M GuHCl unfolded and refolded in NMR buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SENP1 '[U-10% 13C; U-100% 15N]' . . 1 $SENP1 . . 0.4 0.3 0.5 mM . . . . 19885 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19885 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 pH 19885 1 pressure 1 . atm 19885 1 temperature 295 0.1 K 19885 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19885 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19885 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19885 1 processing 19885 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19885 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19885 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19885 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19885 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19885 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'TXI cryoprobe' . . 19885 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19885 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 3 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 9 '2D HMCM-VAL' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 10 '2D HMCM-LEU' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19885 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19885 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19885 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19885 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19885 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19885 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19885 1 2 '3D HNCACB' . . . 19885 1 3 '3D HN(COCA)CB' . . . 19885 1 4 '3D HNCA' . . . 19885 1 5 '3D HN(CO)CA' . . . 19885 1 6 '3D H(CCO)NH' . . . 19885 1 7 '2D 1H-13C HSQC' . . . 19885 1 8 '3D HCCH-TOCSY' . . . 19885 1 9 '2D HMCM-VAL' . . . 19885 1 10 '2D HMCM-LEU' . . . 19885 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 19885 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 15 15 GLU H H 1 8.056 0.005 . . . . . . 419 GLU H . 19885 1 2 . 1 1 15 15 GLU C C 13 175.803 0.060 . . . . . . 419 GLU CO . 19885 1 3 . 1 1 15 15 GLU CA C 13 56.635 0.060 . . . . . . 419 GLU CA . 19885 1 4 . 1 1 15 15 GLU CB C 13 29.326 0.033 . . . . . . 419 GLU CB . 19885 1 5 . 1 1 15 15 GLU N N 15 120.257 0.048 . . . . . . 419 GLU N . 19885 1 6 . 1 1 16 16 PHE H H 1 8.035 0.004 . . . . . . 420 PHE H . 19885 1 7 . 1 1 16 16 PHE C C 13 173.207 0.060 . . . . . . 420 PHE CO . 19885 1 8 . 1 1 16 16 PHE CA C 13 54.951 0.018 . . . . . . 420 PHE CA . 19885 1 9 . 1 1 16 16 PHE CB C 13 37.882 0.060 . . . . . . 420 PHE CB . 19885 1 10 . 1 1 16 16 PHE N N 15 118.648 0.081 . . . . . . 420 PHE N . 19885 1 11 . 1 1 18 18 GLU H H 1 8.637 0.008 . . . . . . 422 GLU H . 19885 1 12 . 1 1 18 18 GLU C C 13 176.111 0.060 . . . . . . 422 GLU CO . 19885 1 13 . 1 1 18 18 GLU CA C 13 56.498 0.029 . . . . . . 422 GLU CA . 19885 1 14 . 1 1 18 18 GLU CB C 13 29.476 0.035 . . . . . . 422 GLU CB . 19885 1 15 . 1 1 18 18 GLU N N 15 124.065 0.057 . . . . . . 422 GLU N . 19885 1 16 . 1 1 19 19 ILE H H 1 8.522 0.008 . . . . . . 423 ILE H . 19885 1 17 . 1 1 19 19 ILE C C 13 176.659 0.060 . . . . . . 423 ILE CO . 19885 1 18 . 1 1 19 19 ILE CA C 13 60.725 0.060 . . . . . . 423 ILE CA . 19885 1 19 . 1 1 19 19 ILE CB C 13 35.427 0.006 . . . . . . 423 ILE CB . 19885 1 20 . 1 1 19 19 ILE N N 15 122.041 0.054 . . . . . . 423 ILE N . 19885 1 21 . 1 1 20 20 THR H H 1 7.633 0.007 . . . . . . 424 THR H . 19885 1 22 . 1 1 20 20 THR C C 13 174.725 0.060 . . . . . . 424 THR CO . 19885 1 23 . 1 1 20 20 THR CB C 13 70.292 0.006 . . . . . . 424 THR CB . 19885 1 24 . 1 1 20 20 THR N N 15 121.188 0.045 . . . . . . 424 THR N . 19885 1 25 . 1 1 21 21 GLU H H 1 8.913 0.006 . . . . . . 425 GLU H . 19885 1 26 . 1 1 21 21 GLU CA C 13 59.696 0.060 . . . . . . 425 GLU CA . 19885 1 27 . 1 1 21 21 GLU CB C 13 28.462 0.013 . . . . . . 425 GLU CB . 19885 1 28 . 1 1 21 21 GLU N N 15 120.900 0.051 . . . . . . 425 GLU N . 19885 1 29 . 1 1 22 22 GLU H H 1 8.419 0.007 . . . . . . 426 GLU H . 19885 1 30 . 1 1 22 22 GLU C C 13 179.787 0.060 . . . . . . 426 GLU CO . 19885 1 31 . 1 1 22 22 GLU CA C 13 59.444 0.027 . . . . . . 426 GLU CA . 19885 1 32 . 1 1 22 22 GLU N N 15 118.024 0.050 . . . . . . 426 GLU N . 19885 1 33 . 1 1 23 23 MET H H 1 7.366 0.008 . . . . . . 427 MET H . 19885 1 34 . 1 1 23 23 MET C C 13 177.912 0.060 . . . . . . 427 MET CO . 19885 1 35 . 1 1 23 23 MET CB C 13 33.371 0.083 . . . . . . 427 MET CB . 19885 1 36 . 1 1 23 23 MET N N 15 119.301 0.055 . . . . . . 427 MET N . 19885 1 37 . 1 1 24 24 GLU H H 1 8.605 0.006 . . . . . . 428 GLU H . 19885 1 38 . 1 1 24 24 GLU C C 13 178.828 0.060 . . . . . . 428 GLU CO . 19885 1 39 . 1 1 24 24 GLU CB C 13 28.410 0.015 . . . . . . 428 GLU CB . 19885 1 40 . 1 1 24 24 GLU N N 15 118.580 0.056 . . . . . . 428 GLU N . 19885 1 41 . 1 1 25 25 LYS H H 1 7.858 0.008 . . . . . . 429 LYS H . 19885 1 42 . 1 1 25 25 LYS C C 13 178.978 0.060 . . . . . . 429 LYS CO . 19885 1 43 . 1 1 25 25 LYS CA C 13 59.488 0.039 . . . . . . 429 LYS CA . 19885 1 44 . 1 1 25 25 LYS CB C 13 31.407 0.046 . . . . . . 429 LYS CB . 19885 1 45 . 1 1 25 25 LYS N N 15 118.101 0.073 . . . . . . 429 LYS N . 19885 1 46 . 1 1 26 26 GLU H H 1 7.356 0.007 . . . . . . 430 GLU H . 19885 1 47 . 1 1 26 26 GLU C C 13 179.111 0.001 . . . . . . 430 GLU CO . 19885 1 48 . 1 1 26 26 GLU CB C 13 29.584 0.026 . . . . . . 430 GLU CB . 19885 1 49 . 1 1 26 26 GLU N N 15 119.087 0.072 . . . . . . 430 GLU N . 19885 1 50 . 1 1 27 27 ILE H H 1 8.075 0.008 . . . . . . 431 ILE H . 19885 1 51 . 1 1 27 27 ILE C C 13 176.796 0.060 . . . . . . 431 ILE CO . 19885 1 52 . 1 1 27 27 ILE CA C 13 64.567 0.060 . . . . . . 431 ILE CA . 19885 1 53 . 1 1 27 27 ILE CB C 13 38.123 0.064 . . . . . . 431 ILE CB . 19885 1 54 . 1 1 27 27 ILE N N 15 119.774 0.106 . . . . . . 431 ILE N . 19885 1 55 . 1 1 28 28 LYS H H 1 8.320 0.012 . . . . . . 432 LYS H . 19885 1 56 . 1 1 28 28 LYS C C 13 180.185 0.060 . . . . . . 432 LYS CO . 19885 1 57 . 1 1 28 28 LYS CA C 13 59.195 0.083 . . . . . . 432 LYS CA . 19885 1 58 . 1 1 28 28 LYS CB C 13 31.197 0.017 . . . . . . 432 LYS CB . 19885 1 59 . 1 1 28 28 LYS N N 15 116.686 0.095 . . . . . . 432 LYS N . 19885 1 60 . 1 1 29 29 ASN H H 1 7.635 0.009 . . . . . . 433 ASN H . 19885 1 61 . 1 1 29 29 ASN C C 13 178.466 0.060 . . . . . . 433 ASN CO . 19885 1 62 . 1 1 29 29 ASN CA C 13 55.822 0.038 . . . . . . 433 ASN CA . 19885 1 63 . 1 1 29 29 ASN CB C 13 37.950 0.004 . . . . . . 433 ASN CB . 19885 1 64 . 1 1 29 29 ASN N N 15 114.913 0.065 . . . . . . 433 ASN N . 19885 1 65 . 1 1 30 30 VAL H H 1 7.548 0.012 . . . . . . 434 VAL H . 19885 1 66 . 1 1 30 30 VAL HG11 H 1 0.724 0.007 . . . . . . 434 VAL HG1 . 19885 1 67 . 1 1 30 30 VAL HG12 H 1 0.724 0.007 . . . . . . 434 VAL HG1 . 19885 1 68 . 1 1 30 30 VAL HG13 H 1 0.724 0.007 . . . . . . 434 VAL HG1 . 19885 1 69 . 1 1 30 30 VAL HG21 H 1 0.725 0.007 . . . . . . 434 VAL HG2 . 19885 1 70 . 1 1 30 30 VAL HG22 H 1 0.725 0.007 . . . . . . 434 VAL HG2 . 19885 1 71 . 1 1 30 30 VAL HG23 H 1 0.725 0.007 . . . . . . 434 VAL HG2 . 19885 1 72 . 1 1 30 30 VAL C C 13 176.412 0.060 . . . . . . 434 VAL CO . 19885 1 73 . 1 1 30 30 VAL CA C 13 64.189 0.112 . . . . . . 434 VAL CA . 19885 1 74 . 1 1 30 30 VAL CB C 13 30.396 0.004 . . . . . . 434 VAL CB . 19885 1 75 . 1 1 30 30 VAL CG1 C 13 22.475 0.060 . . . . . . 434 VAL CG1 . 19885 1 76 . 1 1 30 30 VAL CG2 C 13 21.674 0.060 . . . . . . 434 VAL CG2 . 19885 1 77 . 1 1 30 30 VAL N N 15 114.740 0.101 . . . . . . 434 VAL N . 19885 1 78 . 1 1 31 31 PHE H H 1 7.344 0.007 . . . . . . 435 PHE H . 19885 1 79 . 1 1 31 31 PHE C C 13 177.180 0.060 . . . . . . 435 PHE CO . 19885 1 80 . 1 1 31 31 PHE CA C 13 55.321 0.060 . . . . . . 435 PHE CA . 19885 1 81 . 1 1 31 31 PHE CB C 13 37.701 0.060 . . . . . . 435 PHE CB . 19885 1 82 . 1 1 31 31 PHE N N 15 117.562 0.065 . . . . . . 435 PHE N . 19885 1 83 . 1 1 32 32 ARG H H 1 7.225 0.017 . . . . . . 436 ARG H . 19885 1 84 . 1 1 32 32 ARG C C 13 176.099 0.060 . . . . . . 436 ARG CO . 19885 1 85 . 1 1 32 32 ARG CA C 13 56.384 0.021 . . . . . . 436 ARG CA . 19885 1 86 . 1 1 32 32 ARG CB C 13 30.009 0.026 . . . . . . 436 ARG CB . 19885 1 87 . 1 1 32 32 ARG N N 15 118.730 0.041 . . . . . . 436 ARG N . 19885 1 88 . 1 1 33 33 ASN H H 1 8.252 0.019 . . . . . . 437 ASN H . 19885 1 89 . 1 1 33 33 ASN CA C 13 53.605 0.083 . . . . . . 437 ASN CA . 19885 1 90 . 1 1 33 33 ASN CB C 13 38.193 0.060 . . . . . . 437 ASN CB . 19885 1 91 . 1 1 33 33 ASN N N 15 119.685 0.048 . . . . . . 437 ASN N . 19885 1 92 . 1 1 34 34 GLY H H 1 8.080 0.008 . . . . . . 438 GLY H . 19885 1 93 . 1 1 34 34 GLY C C 13 172.725 0.060 . . . . . . 438 GLY CO . 19885 1 94 . 1 1 34 34 GLY CA C 13 44.807 0.024 . . . . . . 438 GLY CA . 19885 1 95 . 1 1 34 34 GLY N N 15 109.481 0.042 . . . . . . 438 GLY N . 19885 1 96 . 1 1 35 35 ASN H H 1 8.737 0.007 . . . . . . 439 ASN H . 19885 1 97 . 1 1 35 35 ASN CA C 13 52.847 0.047 . . . . . . 439 ASN CA . 19885 1 98 . 1 1 35 35 ASN CB C 13 37.175 0.055 . . . . . . 439 ASN CB . 19885 1 99 . 1 1 35 35 ASN N N 15 120.443 0.058 . . . . . . 439 ASN N . 19885 1 100 . 1 1 36 36 GLN H H 1 9.022 0.008 . . . . . . 440 GLN H . 19885 1 101 . 1 1 36 36 GLN C C 13 175.605 0.060 . . . . . . 440 GLN CO . 19885 1 102 . 1 1 36 36 GLN CA C 13 58.040 0.056 . . . . . . 440 GLN CA . 19885 1 103 . 1 1 36 36 GLN CB C 13 28.495 0.020 . . . . . . 440 GLN CB . 19885 1 104 . 1 1 36 36 GLN N N 15 125.590 0.045 . . . . . . 440 GLN N . 19885 1 105 . 1 1 37 37 ASP H H 1 7.969 0.008 . . . . . . 441 ASP H . 19885 1 106 . 1 1 37 37 ASP C C 13 175.450 0.060 . . . . . . 441 ASP CO . 19885 1 107 . 1 1 37 37 ASP CA C 13 53.428 0.058 . . . . . . 441 ASP CA . 19885 1 108 . 1 1 37 37 ASP CB C 13 40.409 0.018 . . . . . . 441 ASP CB . 19885 1 109 . 1 1 37 37 ASP N N 15 114.845 0.060 . . . . . . 441 ASP N . 19885 1 110 . 1 1 38 38 GLU H H 1 7.143 0.008 . . . . . . 442 GLU H . 19885 1 111 . 1 1 38 38 GLU C C 13 175.905 0.060 . . . . . . 442 GLU CO . 19885 1 112 . 1 1 38 38 GLU CA C 13 56.501 0.068 . . . . . . 442 GLU CA . 19885 1 113 . 1 1 38 38 GLU CB C 13 30.044 0.038 . . . . . . 442 GLU CB . 19885 1 114 . 1 1 38 38 GLU N N 15 121.501 0.051 . . . . . . 442 GLU N . 19885 1 115 . 1 1 39 39 VAL H H 1 8.650 0.009 . . . . . . 443 VAL H . 19885 1 116 . 1 1 39 39 VAL HG11 H 1 0.721 0.007 . . . . . . 443 VAL HG1 . 19885 1 117 . 1 1 39 39 VAL HG12 H 1 0.721 0.007 . . . . . . 443 VAL HG1 . 19885 1 118 . 1 1 39 39 VAL HG13 H 1 0.721 0.007 . . . . . . 443 VAL HG1 . 19885 1 119 . 1 1 39 39 VAL HG21 H 1 0.882 0.007 . . . . . . 443 VAL HG2 . 19885 1 120 . 1 1 39 39 VAL HG22 H 1 0.882 0.007 . . . . . . 443 VAL HG2 . 19885 1 121 . 1 1 39 39 VAL HG23 H 1 0.882 0.007 . . . . . . 443 VAL HG2 . 19885 1 122 . 1 1 39 39 VAL CA C 13 64.020 0.079 . . . . . . 443 VAL CA . 19885 1 123 . 1 1 39 39 VAL CB C 13 31.155 0.012 . . . . . . 443 VAL CB . 19885 1 124 . 1 1 39 39 VAL CG1 C 13 21.487 0.060 . . . . . . 443 VAL CG1 . 19885 1 125 . 1 1 39 39 VAL CG2 C 13 21.844 0.060 . . . . . . 443 VAL CG2 . 19885 1 126 . 1 1 39 39 VAL N N 15 127.026 0.053 . . . . . . 443 VAL N . 19885 1 127 . 1 1 40 40 LEU H H 1 9.012 0.008 . . . . . . 444 LEU H . 19885 1 128 . 1 1 40 40 LEU HD11 H 1 0.590 0.007 . . . . . . 444 LEU HD1 . 19885 1 129 . 1 1 40 40 LEU HD12 H 1 0.590 0.007 . . . . . . 444 LEU HD1 . 19885 1 130 . 1 1 40 40 LEU HD13 H 1 0.590 0.007 . . . . . . 444 LEU HD1 . 19885 1 131 . 1 1 40 40 LEU HD21 H 1 0.597 0.007 . . . . . . 444 LEU HD2 . 19885 1 132 . 1 1 40 40 LEU HD22 H 1 0.597 0.007 . . . . . . 444 LEU HD2 . 19885 1 133 . 1 1 40 40 LEU HD23 H 1 0.597 0.007 . . . . . . 444 LEU HD2 . 19885 1 134 . 1 1 40 40 LEU C C 13 176.790 0.060 . . . . . . 444 LEU CO . 19885 1 135 . 1 1 40 40 LEU CA C 13 54.051 0.009 . . . . . . 444 LEU CA . 19885 1 136 . 1 1 40 40 LEU CB C 13 43.293 0.037 . . . . . . 444 LEU CB . 19885 1 137 . 1 1 40 40 LEU CD1 C 13 27.029 0.060 . . . . . . 444 LEU CD1 . 19885 1 138 . 1 1 40 40 LEU CD2 C 13 21.807 0.060 . . . . . . 444 LEU CD2 . 19885 1 139 . 1 1 40 40 LEU N N 15 127.296 0.058 . . . . . . 444 LEU N . 19885 1 140 . 1 1 41 41 SER H H 1 7.412 0.008 . . . . . . 445 SER H . 19885 1 141 . 1 1 41 41 SER C C 13 172.000 0.060 . . . . . . 445 SER CO . 19885 1 142 . 1 1 41 41 SER CA C 13 57.432 0.060 . . . . . . 445 SER CA . 19885 1 143 . 1 1 41 41 SER CB C 13 64.093 0.004 . . . . . . 445 SER CB . 19885 1 144 . 1 1 41 41 SER N N 15 111.726 0.066 . . . . . . 445 SER N . 19885 1 145 . 1 1 42 42 GLU H H 1 7.933 0.008 . . . . . . 446 GLU H . 19885 1 146 . 1 1 42 42 GLU C C 13 174.257 0.060 . . . . . . 446 GLU CO . 19885 1 147 . 1 1 42 42 GLU CA C 13 55.317 0.073 . . . . . . 446 GLU CA . 19885 1 148 . 1 1 42 42 GLU CB C 13 31.965 0.017 . . . . . . 446 GLU CB . 19885 1 149 . 1 1 42 42 GLU N N 15 125.063 0.063 . . . . . . 446 GLU N . 19885 1 150 . 1 1 43 43 ALA H H 1 8.286 0.008 . . . . . . 447 ALA H . 19885 1 151 . 1 1 43 43 ALA C C 13 176.087 0.060 . . . . . . 447 ALA CO . 19885 1 152 . 1 1 43 43 ALA CA C 13 51.875 0.069 . . . . . . 447 ALA CA . 19885 1 153 . 1 1 43 43 ALA CB C 13 18.979 0.001 . . . . . . 447 ALA CB . 19885 1 154 . 1 1 43 43 ALA N N 15 124.213 0.068 . . . . . . 447 ALA N . 19885 1 155 . 1 1 44 44 PHE H H 1 8.610 0.008 . . . . . . 448 PHE H . 19885 1 156 . 1 1 44 44 PHE C C 13 175.788 0.060 . . . . . . 448 PHE CO . 19885 1 157 . 1 1 44 44 PHE CA C 13 56.316 0.032 . . . . . . 448 PHE CA . 19885 1 158 . 1 1 44 44 PHE CB C 13 36.029 0.011 . . . . . . 448 PHE CB . 19885 1 159 . 1 1 44 44 PHE N N 15 115.367 0.066 . . . . . . 448 PHE N . 19885 1 160 . 1 1 45 45 ARG H H 1 8.484 0.009 . . . . . . 449 ARG H . 19885 1 161 . 1 1 45 45 ARG C C 13 175.491 0.060 . . . . . . 449 ARG CO . 19885 1 162 . 1 1 45 45 ARG CA C 13 57.675 0.071 . . . . . . 449 ARG CA . 19885 1 163 . 1 1 45 45 ARG CB C 13 26.229 0.060 . . . . . . 449 ARG CB . 19885 1 164 . 1 1 45 45 ARG N N 15 110.844 0.055 . . . . . . 449 ARG N . 19885 1 165 . 1 1 46 46 LEU H H 1 8.389 0.008 . . . . . . 450 LEU H . 19885 1 166 . 1 1 46 46 LEU HD11 H 1 0.890 0.007 . . . . . . 450 LEU HD1 . 19885 1 167 . 1 1 46 46 LEU HD12 H 1 0.890 0.007 . . . . . . 450 LEU HD1 . 19885 1 168 . 1 1 46 46 LEU HD13 H 1 0.890 0.007 . . . . . . 450 LEU HD1 . 19885 1 169 . 1 1 46 46 LEU HD21 H 1 0.948 0.007 . . . . . . 450 LEU HD2 . 19885 1 170 . 1 1 46 46 LEU HD22 H 1 0.948 0.007 . . . . . . 450 LEU HD2 . 19885 1 171 . 1 1 46 46 LEU HD23 H 1 0.948 0.007 . . . . . . 450 LEU HD2 . 19885 1 172 . 1 1 46 46 LEU C C 13 176.645 0.060 . . . . . . 450 LEU CO . 19885 1 173 . 1 1 46 46 LEU CA C 13 53.763 0.049 . . . . . . 450 LEU CA . 19885 1 174 . 1 1 46 46 LEU CB C 13 44.035 0.007 . . . . . . 450 LEU CB . 19885 1 175 . 1 1 46 46 LEU CD1 C 13 25.813 0.060 . . . . . . 450 LEU CD1 . 19885 1 176 . 1 1 46 46 LEU CD2 C 13 22.437 0.060 . . . . . . 450 LEU CD2 . 19885 1 177 . 1 1 46 46 LEU N N 15 121.623 0.063 . . . . . . 450 LEU N . 19885 1 178 . 1 1 47 47 THR H H 1 8.315 0.008 . . . . . . 451 THR H . 19885 1 179 . 1 1 47 47 THR C C 13 173.407 0.060 . . . . . . 451 THR CO . 19885 1 180 . 1 1 47 47 THR CA C 13 60.834 0.059 . . . . . . 451 THR CA . 19885 1 181 . 1 1 47 47 THR CB C 13 71.178 0.025 . . . . . . 451 THR CB . 19885 1 182 . 1 1 47 47 THR N N 15 113.296 0.077 . . . . . . 451 THR N . 19885 1 183 . 1 1 48 48 ILE H H 1 8.521 0.007 . . . . . . 452 ILE H . 19885 1 184 . 1 1 48 48 ILE C C 13 176.082 0.060 . . . . . . 452 ILE CO . 19885 1 185 . 1 1 48 48 ILE CA C 13 56.522 0.044 . . . . . . 452 ILE CA . 19885 1 186 . 1 1 48 48 ILE CB C 13 36.082 0.004 . . . . . . 452 ILE CB . 19885 1 187 . 1 1 48 48 ILE N N 15 124.173 0.067 . . . . . . 452 ILE N . 19885 1 188 . 1 1 49 49 THR H H 1 9.811 0.010 . . . . . . 453 THR H . 19885 1 189 . 1 1 49 49 THR CA C 13 59.709 0.048 . . . . . . 453 THR CA . 19885 1 190 . 1 1 49 49 THR CB C 13 72.939 0.024 . . . . . . 453 THR CB . 19885 1 191 . 1 1 49 49 THR N N 15 119.807 0.060 . . . . . . 453 THR N . 19885 1 192 . 1 1 50 50 ARG H H 1 8.211 0.006 . . . . . . 454 ARG H . 19885 1 193 . 1 1 50 50 ARG C C 13 177.392 0.060 . . . . . . 454 ARG CO . 19885 1 194 . 1 1 50 50 ARG CA C 13 60.137 0.005 . . . . . . 454 ARG CA . 19885 1 195 . 1 1 50 50 ARG CB C 13 28.989 0.060 . . . . . . 454 ARG CB . 19885 1 196 . 1 1 50 50 ARG N N 15 122.061 0.072 . . . . . . 454 ARG N . 19885 1 197 . 1 1 51 51 LYS H H 1 8.504 0.006 . . . . . . 455 LYS H . 19885 1 198 . 1 1 51 51 LYS C C 13 178.628 0.060 . . . . . . 455 LYS CO . 19885 1 199 . 1 1 51 51 LYS CA C 13 59.289 0.032 . . . . . . 455 LYS CA . 19885 1 200 . 1 1 51 51 LYS CB C 13 31.114 0.032 . . . . . . 455 LYS CB . 19885 1 201 . 1 1 51 51 LYS N N 15 119.122 0.100 . . . . . . 455 LYS N . 19885 1 202 . 1 1 52 52 ASP H H 1 7.271 0.008 . . . . . . 456 ASP H . 19885 1 203 . 1 1 52 52 ASP CA C 13 57.369 0.061 . . . . . . 456 ASP CA . 19885 1 204 . 1 1 52 52 ASP CB C 13 40.809 0.023 . . . . . . 456 ASP CB . 19885 1 205 . 1 1 52 52 ASP N N 15 117.779 0.085 . . . . . . 456 ASP N . 19885 1 206 . 1 1 53 53 ILE H H 1 8.159 0.005 . . . . . . 457 ILE H . 19885 1 207 . 1 1 53 53 ILE CA C 13 62.392 0.087 . . . . . . 457 ILE CA . 19885 1 208 . 1 1 53 53 ILE CB C 13 37.060 0.060 . . . . . . 457 ILE CB . 19885 1 209 . 1 1 53 53 ILE N N 15 121.588 0.051 . . . . . . 457 ILE N . 19885 1 210 . 1 1 54 54 GLN H H 1 7.923 0.008 . . . . . . 458 GLN H . 19885 1 211 . 1 1 54 54 GLN C C 13 178.732 0.060 . . . . . . 458 GLN CO . 19885 1 212 . 1 1 54 54 GLN CA C 13 57.804 0.042 . . . . . . 458 GLN CA . 19885 1 213 . 1 1 54 54 GLN CB C 13 26.567 0.014 . . . . . . 458 GLN CB . 19885 1 214 . 1 1 54 54 GLN N N 15 117.897 0.072 . . . . . . 458 GLN N . 19885 1 215 . 1 1 55 55 THR H H 1 7.897 0.009 . . . . . . 459 THR H . 19885 1 216 . 1 1 55 55 THR CA C 13 65.051 0.055 . . . . . . 459 THR CA . 19885 1 217 . 1 1 55 55 THR CB C 13 67.395 0.023 . . . . . . 459 THR CB . 19885 1 218 . 1 1 55 55 THR N N 15 113.263 0.093 . . . . . . 459 THR N . 19885 1 219 . 1 1 56 56 LEU H H 1 7.253 0.008 . . . . . . 460 LEU H . 19885 1 220 . 1 1 56 56 LEU HD11 H 1 0.820 0.007 . . . . . . 460 LEU HD1 . 19885 1 221 . 1 1 56 56 LEU HD12 H 1 0.820 0.007 . . . . . . 460 LEU HD1 . 19885 1 222 . 1 1 56 56 LEU HD13 H 1 0.820 0.007 . . . . . . 460 LEU HD1 . 19885 1 223 . 1 1 56 56 LEU HD21 H 1 0.925 0.007 . . . . . . 460 LEU HD2 . 19885 1 224 . 1 1 56 56 LEU HD22 H 1 0.925 0.007 . . . . . . 460 LEU HD2 . 19885 1 225 . 1 1 56 56 LEU HD23 H 1 0.925 0.007 . . . . . . 460 LEU HD2 . 19885 1 226 . 1 1 56 56 LEU C C 13 179.644 0.060 . . . . . . 460 LEU CO . 19885 1 227 . 1 1 56 56 LEU CA C 13 54.923 0.059 . . . . . . 460 LEU CA . 19885 1 228 . 1 1 56 56 LEU CB C 13 41.723 0.078 . . . . . . 460 LEU CB . 19885 1 229 . 1 1 56 56 LEU CD1 C 13 25.968 0.060 . . . . . . 460 LEU CD1 . 19885 1 230 . 1 1 56 56 LEU CD2 C 13 25.889 0.060 . . . . . . 460 LEU CD2 . 19885 1 231 . 1 1 56 56 LEU N N 15 115.083 0.092 . . . . . . 460 LEU N . 19885 1 232 . 1 1 57 57 ASN H H 1 7.421 0.008 . . . . . . 461 ASN H . 19885 1 233 . 1 1 57 57 ASN CA C 13 51.888 0.077 . . . . . . 461 ASN CA . 19885 1 234 . 1 1 57 57 ASN CB C 13 37.194 0.024 . . . . . . 461 ASN CB . 19885 1 235 . 1 1 57 57 ASN N N 15 119.845 0.055 . . . . . . 461 ASN N . 19885 1 236 . 1 1 58 58 HIS H H 1 7.773 0.007 . . . . . . 462 HIS H . 19885 1 237 . 1 1 58 58 HIS CB C 13 28.992 0.060 . . . . . . 462 HIS CB . 19885 1 238 . 1 1 58 58 HIS N N 15 119.821 0.082 . . . . . . 462 HIS N . 19885 1 239 . 1 1 61 61 TRP HE1 H 1 10.206 0.007 . . . . . . 465 TRP HE1 . 19885 1 240 . 1 1 61 61 TRP NE1 N 15 130.435 0.060 . . . . . . 465 TRP NE1 . 19885 1 241 . 1 1 62 62 LEU HD11 H 1 0.634 0.007 . . . . . . 466 LEU HD1 . 19885 1 242 . 1 1 62 62 LEU HD12 H 1 0.634 0.007 . . . . . . 466 LEU HD1 . 19885 1 243 . 1 1 62 62 LEU HD13 H 1 0.634 0.007 . . . . . . 466 LEU HD1 . 19885 1 244 . 1 1 62 62 LEU HD21 H 1 0.563 0.007 . . . . . . 466 LEU HD2 . 19885 1 245 . 1 1 62 62 LEU HD22 H 1 0.563 0.007 . . . . . . 466 LEU HD2 . 19885 1 246 . 1 1 62 62 LEU HD23 H 1 0.563 0.007 . . . . . . 466 LEU HD2 . 19885 1 247 . 1 1 62 62 LEU CD1 C 13 25.446 0.060 . . . . . . 466 LEU CD1 . 19885 1 248 . 1 1 62 62 LEU CD2 C 13 23.298 0.060 . . . . . . 466 LEU CD2 . 19885 1 249 . 1 1 63 63 ASN H H 1 7.164 0.009 . . . . . . 467 ASN H . 19885 1 250 . 1 1 63 63 ASN C C 13 174.619 0.060 . . . . . . 467 ASN CO . 19885 1 251 . 1 1 63 63 ASN CA C 13 50.295 0.079 . . . . . . 467 ASN CA . 19885 1 252 . 1 1 63 63 ASN CB C 13 39.556 0.030 . . . . . . 467 ASN CB . 19885 1 253 . 1 1 63 63 ASN N N 15 116.901 0.069 . . . . . . 467 ASN N . 19885 1 254 . 1 1 64 64 ASP H H 1 8.246 0.007 . . . . . . 468 ASP H . 19885 1 255 . 1 1 64 64 ASP CA C 13 57.481 0.074 . . . . . . 468 ASP CA . 19885 1 256 . 1 1 64 64 ASP CB C 13 40.531 0.058 . . . . . . 468 ASP CB . 19885 1 257 . 1 1 64 64 ASP N N 15 115.434 0.055 . . . . . . 468 ASP N . 19885 1 258 . 1 1 65 65 GLU H H 1 8.991 0.011 . . . . . . 469 GLU H . 19885 1 259 . 1 1 65 65 GLU C C 13 179.948 0.060 . . . . . . 469 GLU CO . 19885 1 260 . 1 1 65 65 GLU CA C 13 60.578 0.042 . . . . . . 469 GLU CA . 19885 1 261 . 1 1 65 65 GLU CB C 13 27.414 0.023 . . . . . . 469 GLU CB . 19885 1 262 . 1 1 65 65 GLU N N 15 119.089 0.057 . . . . . . 469 GLU N . 19885 1 263 . 1 1 66 66 ILE H H 1 7.753 0.009 . . . . . . 470 ILE H . 19885 1 264 . 1 1 66 66 ILE C C 13 177.040 0.060 . . . . . . 470 ILE CO . 19885 1 265 . 1 1 66 66 ILE CA C 13 61.231 0.048 . . . . . . 470 ILE CA . 19885 1 266 . 1 1 66 66 ILE CB C 13 34.744 0.009 . . . . . . 470 ILE CB . 19885 1 267 . 1 1 66 66 ILE N N 15 117.845 0.054 . . . . . . 470 ILE N . 19885 1 268 . 1 1 67 67 ILE H H 1 6.974 0.010 . . . . . . 471 ILE H . 19885 1 269 . 1 1 67 67 ILE CA C 13 64.903 0.060 . . . . . . 471 ILE CA . 19885 1 270 . 1 1 67 67 ILE N N 15 117.941 0.073 . . . . . . 471 ILE N . 19885 1 271 . 1 1 68 68 ASN H H 1 9.030 0.010 . . . . . . 472 ASN H . 19885 1 272 . 1 1 68 68 ASN C C 13 178.288 0.060 . . . . . . 472 ASN CO . 19885 1 273 . 1 1 68 68 ASN CA C 13 56.070 0.035 . . . . . . 472 ASN CA . 19885 1 274 . 1 1 68 68 ASN CB C 13 37.624 0.011 . . . . . . 472 ASN CB . 19885 1 275 . 1 1 68 68 ASN N N 15 115.254 0.063 . . . . . . 472 ASN N . 19885 1 276 . 1 1 69 69 PHE H H 1 8.304 0.005 . . . . . . 473 PHE H . 19885 1 277 . 1 1 69 69 PHE C C 13 177.436 0.060 . . . . . . 473 PHE CO . 19885 1 278 . 1 1 69 69 PHE CA C 13 62.584 0.065 . . . . . . 473 PHE CA . 19885 1 279 . 1 1 69 69 PHE CB C 13 39.667 0.034 . . . . . . 473 PHE CB . 19885 1 280 . 1 1 69 69 PHE N N 15 123.630 0.065 . . . . . . 473 PHE N . 19885 1 281 . 1 1 70 70 TYR H H 1 8.774 0.008 . . . . . . 474 TYR H . 19885 1 282 . 1 1 70 70 TYR C C 13 178.151 0.060 . . . . . . 474 TYR CO . 19885 1 283 . 1 1 70 70 TYR CA C 13 62.784 0.020 . . . . . . 474 TYR CA . 19885 1 284 . 1 1 70 70 TYR CB C 13 38.335 0.048 . . . . . . 474 TYR CB . 19885 1 285 . 1 1 70 70 TYR N N 15 120.467 0.072 . . . . . . 474 TYR N . 19885 1 286 . 1 1 71 71 MET H H 1 8.709 0.005 . . . . . . 475 MET H . 19885 1 287 . 1 1 71 71 MET C C 13 179.367 0.060 . . . . . . 475 MET CO . 19885 1 288 . 1 1 71 71 MET CA C 13 57.325 0.057 . . . . . . 475 MET CA . 19885 1 289 . 1 1 71 71 MET CB C 13 31.041 0.015 . . . . . . 475 MET CB . 19885 1 290 . 1 1 71 71 MET N N 15 115.346 0.092 . . . . . . 475 MET N . 19885 1 291 . 1 1 72 72 ASN H H 1 7.371 0.007 . . . . . . 476 ASN H . 19885 1 292 . 1 1 72 72 ASN C C 13 177.604 0.060 . . . . . . 476 ASN CO . 19885 1 293 . 1 1 72 72 ASN CA C 13 56.292 0.045 . . . . . . 476 ASN CA . 19885 1 294 . 1 1 72 72 ASN CB C 13 37.912 0.060 . . . . . . 476 ASN CB . 19885 1 295 . 1 1 72 72 ASN N N 15 117.074 0.084 . . . . . . 476 ASN N . 19885 1 296 . 1 1 73 73 MET H H 1 7.664 0.006 . . . . . . 477 MET H . 19885 1 297 . 1 1 73 73 MET C C 13 179.545 0.060 . . . . . . 477 MET CO . 19885 1 298 . 1 1 73 73 MET CA C 13 59.952 0.060 . . . . . . 477 MET CA . 19885 1 299 . 1 1 73 73 MET CB C 13 31.504 0.060 . . . . . . 477 MET CB . 19885 1 300 . 1 1 73 73 MET N N 15 121.465 0.048 . . . . . . 477 MET N . 19885 1 301 . 1 1 74 74 LEU H H 1 7.767 0.009 . . . . . . 478 LEU H . 19885 1 302 . 1 1 74 74 LEU HD11 H 1 0.658 0.007 . . . . . . 478 LEU HD1 . 19885 1 303 . 1 1 74 74 LEU HD12 H 1 0.658 0.007 . . . . . . 478 LEU HD1 . 19885 1 304 . 1 1 74 74 LEU HD13 H 1 0.658 0.007 . . . . . . 478 LEU HD1 . 19885 1 305 . 1 1 74 74 LEU HD21 H 1 0.411 0.007 . . . . . . 478 LEU HD2 . 19885 1 306 . 1 1 74 74 LEU HD22 H 1 0.411 0.007 . . . . . . 478 LEU HD2 . 19885 1 307 . 1 1 74 74 LEU HD23 H 1 0.411 0.007 . . . . . . 478 LEU HD2 . 19885 1 308 . 1 1 74 74 LEU C C 13 180.857 0.060 . . . . . . 478 LEU CO . 19885 1 309 . 1 1 74 74 LEU CA C 13 57.471 0.026 . . . . . . 478 LEU CA . 19885 1 310 . 1 1 74 74 LEU CB C 13 39.790 0.013 . . . . . . 478 LEU CB . 19885 1 311 . 1 1 74 74 LEU CD1 C 13 27.340 0.060 . . . . . . 478 LEU CD1 . 19885 1 312 . 1 1 74 74 LEU CD2 C 13 22.112 0.060 . . . . . . 478 LEU CD2 . 19885 1 313 . 1 1 74 74 LEU N N 15 119.925 0.067 . . . . . . 478 LEU N . 19885 1 314 . 1 1 75 75 MET H H 1 7.603 0.006 . . . . . . 479 MET H . 19885 1 315 . 1 1 75 75 MET C C 13 179.134 0.060 . . . . . . 479 MET CO . 19885 1 316 . 1 1 75 75 MET CA C 13 59.413 0.078 . . . . . . 479 MET CA . 19885 1 317 . 1 1 75 75 MET CB C 13 32.433 0.002 . . . . . . 479 MET CB . 19885 1 318 . 1 1 75 75 MET N N 15 118.957 0.078 . . . . . . 479 MET N . 19885 1 319 . 1 1 76 76 GLU H H 1 8.059 0.006 . . . . . . 480 GLU H . 19885 1 320 . 1 1 76 76 GLU CA C 13 59.225 0.048 . . . . . . 480 GLU CA . 19885 1 321 . 1 1 76 76 GLU CB C 13 28.370 0.030 . . . . . . 480 GLU CB . 19885 1 322 . 1 1 76 76 GLU N N 15 122.932 0.068 . . . . . . 480 GLU N . 19885 1 323 . 1 1 77 77 ARG H H 1 7.917 0.007 . . . . . . 481 ARG H . 19885 1 324 . 1 1 77 77 ARG C C 13 176.421 0.060 . . . . . . 481 ARG CO . 19885 1 325 . 1 1 77 77 ARG CA C 13 58.251 0.056 . . . . . . 481 ARG CA . 19885 1 326 . 1 1 77 77 ARG CB C 13 28.749 0.060 . . . . . . 481 ARG CB . 19885 1 327 . 1 1 77 77 ARG N N 15 120.662 0.063 . . . . . . 481 ARG N . 19885 1 328 . 1 1 78 78 SER H H 1 7.201 0.009 . . . . . . 482 SER H . 19885 1 329 . 1 1 78 78 SER C C 13 172.394 0.060 . . . . . . 482 SER CO . 19885 1 330 . 1 1 78 78 SER CA C 13 60.255 0.058 . . . . . . 482 SER CA . 19885 1 331 . 1 1 78 78 SER CB C 13 63.102 0.002 . . . . . . 482 SER CB . 19885 1 332 . 1 1 78 78 SER N N 15 113.273 0.073 . . . . . . 482 SER N . 19885 1 333 . 1 1 79 79 LYS H H 1 6.968 0.008 . . . . . . 483 LYS H . 19885 1 334 . 1 1 79 79 LYS C C 13 178.176 0.060 . . . . . . 483 LYS CO . 19885 1 335 . 1 1 79 79 LYS CA C 13 56.793 0.038 . . . . . . 483 LYS CA . 19885 1 336 . 1 1 79 79 LYS CB C 13 31.687 0.023 . . . . . . 483 LYS CB . 19885 1 337 . 1 1 79 79 LYS N N 15 118.755 0.096 . . . . . . 483 LYS N . 19885 1 338 . 1 1 80 80 GLU H H 1 8.114 0.007 . . . . . . 484 GLU H . 19885 1 339 . 1 1 80 80 GLU C C 13 176.653 0.060 . . . . . . 484 GLU CO . 19885 1 340 . 1 1 80 80 GLU CB C 13 29.049 0.027 . . . . . . 484 GLU CB . 19885 1 341 . 1 1 80 80 GLU N N 15 121.011 0.048 . . . . . . 484 GLU N . 19885 1 342 . 1 1 81 81 LYS H H 1 8.263 0.007 . . . . . . 485 LYS H . 19885 1 343 . 1 1 81 81 LYS C C 13 177.924 0.060 . . . . . . 485 LYS CO . 19885 1 344 . 1 1 81 81 LYS CA C 13 57.550 0.036 . . . . . . 485 LYS CA . 19885 1 345 . 1 1 81 81 LYS CB C 13 31.154 0.018 . . . . . . 485 LYS CB . 19885 1 346 . 1 1 81 81 LYS N N 15 121.725 0.083 . . . . . . 485 LYS N . 19885 1 347 . 1 1 82 82 GLY H H 1 8.738 0.008 . . . . . . 486 GLY H . 19885 1 348 . 1 1 82 82 GLY C C 13 173.993 0.060 . . . . . . 486 GLY CO . 19885 1 349 . 1 1 82 82 GLY CA C 13 44.731 0.033 . . . . . . 486 GLY CA . 19885 1 350 . 1 1 82 82 GLY N N 15 111.446 0.048 . . . . . . 486 GLY N . 19885 1 351 . 1 1 83 83 LEU H H 1 7.357 0.009 . . . . . . 487 LEU H . 19885 1 352 . 1 1 83 83 LEU HD11 H 1 0.778 0.007 . . . . . . 487 LEU HD1 . 19885 1 353 . 1 1 83 83 LEU HD12 H 1 0.778 0.007 . . . . . . 487 LEU HD1 . 19885 1 354 . 1 1 83 83 LEU HD13 H 1 0.778 0.007 . . . . . . 487 LEU HD1 . 19885 1 355 . 1 1 83 83 LEU HD21 H 1 0.829 0.007 . . . . . . 487 LEU HD2 . 19885 1 356 . 1 1 83 83 LEU HD22 H 1 0.829 0.007 . . . . . . 487 LEU HD2 . 19885 1 357 . 1 1 83 83 LEU HD23 H 1 0.829 0.007 . . . . . . 487 LEU HD2 . 19885 1 358 . 1 1 83 83 LEU C C 13 174.966 0.060 . . . . . . 487 LEU CO . 19885 1 359 . 1 1 83 83 LEU CA C 13 52.224 0.043 . . . . . . 487 LEU CA . 19885 1 360 . 1 1 83 83 LEU CB C 13 40.075 0.026 . . . . . . 487 LEU CB . 19885 1 361 . 1 1 83 83 LEU CD1 C 13 25.797 0.060 . . . . . . 487 LEU CD1 . 19885 1 362 . 1 1 83 83 LEU CD2 C 13 23.228 0.060 . . . . . . 487 LEU CD2 . 19885 1 363 . 1 1 83 83 LEU N N 15 121.648 0.037 . . . . . . 487 LEU N . 19885 1 364 . 1 1 85 85 SER H H 1 9.146 0.010 . . . . . . 489 SER H . 19885 1 365 . 1 1 85 85 SER C C 13 175.307 0.060 . . . . . . 489 SER CO . 19885 1 366 . 1 1 85 85 SER CA C 13 57.732 0.060 . . . . . . 489 SER CA . 19885 1 367 . 1 1 85 85 SER CB C 13 63.976 0.060 . . . . . . 489 SER CB . 19885 1 368 . 1 1 85 85 SER N N 15 117.954 0.050 . . . . . . 489 SER N . 19885 1 369 . 1 1 86 86 VAL H H 1 7.378 0.008 . . . . . . 490 VAL H . 19885 1 370 . 1 1 86 86 VAL HG11 H 1 0.555 0.007 . . . . . . 490 VAL HG1 . 19885 1 371 . 1 1 86 86 VAL HG12 H 1 0.555 0.007 . . . . . . 490 VAL HG1 . 19885 1 372 . 1 1 86 86 VAL HG13 H 1 0.555 0.007 . . . . . . 490 VAL HG1 . 19885 1 373 . 1 1 86 86 VAL HG21 H 1 0.885 0.007 . . . . . . 490 VAL HG2 . 19885 1 374 . 1 1 86 86 VAL HG22 H 1 0.885 0.007 . . . . . . 490 VAL HG2 . 19885 1 375 . 1 1 86 86 VAL HG23 H 1 0.885 0.007 . . . . . . 490 VAL HG2 . 19885 1 376 . 1 1 86 86 VAL C C 13 175.445 0.060 . . . . . . 490 VAL CO . 19885 1 377 . 1 1 86 86 VAL CA C 13 59.960 0.014 . . . . . . 490 VAL CA . 19885 1 378 . 1 1 86 86 VAL CB C 13 36.725 0.039 . . . . . . 490 VAL CB . 19885 1 379 . 1 1 86 86 VAL CG1 C 13 21.034 0.060 . . . . . . 490 VAL CG1 . 19885 1 380 . 1 1 86 86 VAL CG2 C 13 23.035 0.060 . . . . . . 490 VAL CG2 . 19885 1 381 . 1 1 86 86 VAL N N 15 118.616 0.064 . . . . . . 490 VAL N . 19885 1 382 . 1 1 87 87 HIS H H 1 8.824 0.004 . . . . . . 491 HIS H . 19885 1 383 . 1 1 87 87 HIS C C 13 172.689 0.060 . . . . . . 491 HIS CO . 19885 1 384 . 1 1 87 87 HIS CA C 13 56.457 0.030 . . . . . . 491 HIS CA . 19885 1 385 . 1 1 87 87 HIS CB C 13 33.175 0.005 . . . . . . 491 HIS CB . 19885 1 386 . 1 1 87 87 HIS N N 15 124.160 0.075 . . . . . . 491 HIS N . 19885 1 387 . 1 1 88 88 ALA H H 1 7.475 0.008 . . . . . . 492 ALA H . 19885 1 388 . 1 1 88 88 ALA C C 13 175.149 0.060 . . . . . . 492 ALA CO . 19885 1 389 . 1 1 88 88 ALA CA C 13 48.933 0.059 . . . . . . 492 ALA CA . 19885 1 390 . 1 1 88 88 ALA CB C 13 20.637 0.015 . . . . . . 492 ALA CB . 19885 1 391 . 1 1 88 88 ALA N N 15 129.587 0.046 . . . . . . 492 ALA N . 19885 1 392 . 1 1 89 89 PHE H H 1 8.075 0.005 . . . . . . 493 PHE H . 19885 1 393 . 1 1 89 89 PHE CA C 13 57.443 0.060 . . . . . . 493 PHE CA . 19885 1 394 . 1 1 89 89 PHE CB C 13 40.032 0.016 . . . . . . 493 PHE CB . 19885 1 395 . 1 1 89 89 PHE N N 15 120.292 0.061 . . . . . . 493 PHE N . 19885 1 396 . 1 1 90 90 ASN H H 1 8.614 0.009 . . . . . . 494 ASN H . 19885 1 397 . 1 1 90 90 ASN C C 13 177.042 0.060 . . . . . . 494 ASN CO . 19885 1 398 . 1 1 90 90 ASN CA C 13 52.612 0.035 . . . . . . 494 ASN CA . 19885 1 399 . 1 1 90 90 ASN CB C 13 39.014 0.023 . . . . . . 494 ASN CB . 19885 1 400 . 1 1 90 90 ASN N N 15 116.324 0.073 . . . . . . 494 ASN N . 19885 1 401 . 1 1 91 91 THR H H 1 8.712 0.007 . . . . . . 495 THR H . 19885 1 402 . 1 1 91 91 THR CA C 13 65.108 0.051 . . . . . . 495 THR CA . 19885 1 403 . 1 1 91 91 THR CB C 13 67.954 0.017 . . . . . . 495 THR CB . 19885 1 404 . 1 1 91 91 THR N N 15 111.881 0.069 . . . . . . 495 THR N . 19885 1 405 . 1 1 92 92 PHE H H 1 8.441 0.008 . . . . . . 496 PHE H . 19885 1 406 . 1 1 92 92 PHE C C 13 176.791 0.060 . . . . . . 496 PHE CO . 19885 1 407 . 1 1 92 92 PHE CA C 13 57.589 0.027 . . . . . . 496 PHE CA . 19885 1 408 . 1 1 92 92 PHE CB C 13 38.722 0.025 . . . . . . 496 PHE CB . 19885 1 409 . 1 1 92 92 PHE N N 15 120.392 0.060 . . . . . . 496 PHE N . 19885 1 410 . 1 1 93 93 PHE H H 1 7.951 0.010 . . . . . . 497 PHE H . 19885 1 411 . 1 1 93 93 PHE C C 13 175.620 0.060 . . . . . . 497 PHE CO . 19885 1 412 . 1 1 93 93 PHE CA C 13 61.468 0.047 . . . . . . 497 PHE CA . 19885 1 413 . 1 1 93 93 PHE CB C 13 38.442 0.051 . . . . . . 497 PHE CB . 19885 1 414 . 1 1 93 93 PHE N N 15 121.386 0.074 . . . . . . 497 PHE N . 19885 1 415 . 1 1 94 94 PHE H H 1 10.059 0.011 . . . . . . 498 PHE H . 19885 1 416 . 1 1 94 94 PHE C C 13 176.151 0.060 . . . . . . 498 PHE CO . 19885 1 417 . 1 1 94 94 PHE CA C 13 62.450 0.073 . . . . . . 498 PHE CA . 19885 1 418 . 1 1 94 94 PHE CB C 13 37.649 0.031 . . . . . . 498 PHE CB . 19885 1 419 . 1 1 94 94 PHE N N 15 120.473 0.066 . . . . . . 498 PHE N . 19885 1 420 . 1 1 95 95 THR H H 1 7.099 0.005 . . . . . . 499 THR H . 19885 1 421 . 1 1 95 95 THR CA C 13 65.751 0.024 . . . . . . 499 THR CA . 19885 1 422 . 1 1 95 95 THR CB C 13 68.656 0.008 . . . . . . 499 THR CB . 19885 1 423 . 1 1 95 95 THR N N 15 111.797 0.055 . . . . . . 499 THR N . 19885 1 424 . 1 1 96 96 LYS H H 1 7.805 0.009 . . . . . . 500 LYS H . 19885 1 425 . 1 1 96 96 LYS C C 13 177.170 0.060 . . . . . . 500 LYS CO . 19885 1 426 . 1 1 96 96 LYS CA C 13 58.082 0.053 . . . . . . 500 LYS CA . 19885 1 427 . 1 1 96 96 LYS CB C 13 30.293 0.017 . . . . . . 500 LYS CB . 19885 1 428 . 1 1 96 96 LYS N N 15 122.907 0.075 . . . . . . 500 LYS N . 19885 1 429 . 1 1 97 97 LEU H H 1 8.040 0.007 . . . . . . 501 LEU H . 19885 1 430 . 1 1 97 97 LEU HD11 H 1 0.619 0.007 . . . . . . 501 LEU HD1 . 19885 1 431 . 1 1 97 97 LEU HD12 H 1 0.619 0.007 . . . . . . 501 LEU HD1 . 19885 1 432 . 1 1 97 97 LEU HD13 H 1 0.619 0.007 . . . . . . 501 LEU HD1 . 19885 1 433 . 1 1 97 97 LEU HD21 H 1 0.269 0.007 . . . . . . 501 LEU HD2 . 19885 1 434 . 1 1 97 97 LEU HD22 H 1 0.269 0.007 . . . . . . 501 LEU HD2 . 19885 1 435 . 1 1 97 97 LEU HD23 H 1 0.269 0.007 . . . . . . 501 LEU HD2 . 19885 1 436 . 1 1 97 97 LEU CA C 13 56.922 0.033 . . . . . . 501 LEU CA . 19885 1 437 . 1 1 97 97 LEU CB C 13 40.320 0.018 . . . . . . 501 LEU CB . 19885 1 438 . 1 1 97 97 LEU CD1 C 13 21.344 0.060 . . . . . . 501 LEU CD1 . 19885 1 439 . 1 1 97 97 LEU CD2 C 13 26.130 0.060 . . . . . . 501 LEU CD2 . 19885 1 440 . 1 1 97 97 LEU N N 15 120.722 0.088 . . . . . . 501 LEU N . 19885 1 441 . 1 1 98 98 LYS H H 1 8.113 0.006 . . . . . . 502 LYS H . 19885 1 442 . 1 1 98 98 LYS C C 13 177.542 0.060 . . . . . . 502 LYS CO . 19885 1 443 . 1 1 98 98 LYS CA C 13 58.359 0.061 . . . . . . 502 LYS CA . 19885 1 444 . 1 1 98 98 LYS CB C 13 31.117 0.016 . . . . . . 502 LYS CB . 19885 1 445 . 1 1 98 98 LYS N N 15 117.113 0.069 . . . . . . 502 LYS N . 19885 1 446 . 1 1 99 99 THR H H 1 7.521 0.009 . . . . . . 503 THR H . 19885 1 447 . 1 1 99 99 THR C C 13 175.362 0.060 . . . . . . 503 THR CO . 19885 1 448 . 1 1 99 99 THR CA C 13 63.650 0.061 . . . . . . 503 THR CA . 19885 1 449 . 1 1 99 99 THR CB C 13 69.641 0.009 . . . . . . 503 THR CB . 19885 1 450 . 1 1 99 99 THR N N 15 108.626 0.039 . . . . . . 503 THR N . 19885 1 451 . 1 1 100 100 ALA H H 1 8.417 0.007 . . . . . . 504 ALA H . 19885 1 452 . 1 1 100 100 ALA C C 13 177.923 0.060 . . . . . . 504 ALA CO . 19885 1 453 . 1 1 100 100 ALA CA C 13 51.681 0.064 . . . . . . 504 ALA CA . 19885 1 454 . 1 1 100 100 ALA CB C 13 19.982 0.039 . . . . . . 504 ALA CB . 19885 1 455 . 1 1 100 100 ALA N N 15 124.229 0.075 . . . . . . 504 ALA N . 19885 1 456 . 1 1 101 101 GLY H H 1 7.404 0.008 . . . . . . 505 GLY H . 19885 1 457 . 1 1 101 101 GLY C C 13 173.703 0.060 . . . . . . 505 GLY CO . 19885 1 458 . 1 1 101 101 GLY CA C 13 44.062 0.038 . . . . . . 505 GLY CA . 19885 1 459 . 1 1 101 101 GLY N N 15 108.216 0.061 . . . . . . 505 GLY N . 19885 1 460 . 1 1 102 102 TYR H H 1 8.506 0.008 . . . . . . 506 TYR H . 19885 1 461 . 1 1 102 102 TYR C C 13 177.707 0.060 . . . . . . 506 TYR CO . 19885 1 462 . 1 1 102 102 TYR CA C 13 61.372 0.045 . . . . . . 506 TYR CA . 19885 1 463 . 1 1 102 102 TYR CB C 13 38.185 0.061 . . . . . . 506 TYR CB . 19885 1 464 . 1 1 102 102 TYR N N 15 118.015 0.070 . . . . . . 506 TYR N . 19885 1 465 . 1 1 103 103 GLN H H 1 8.677 0.007 . . . . . . 507 GLN H . 19885 1 466 . 1 1 103 103 GLN C C 13 177.318 0.060 . . . . . . 507 GLN CO . 19885 1 467 . 1 1 103 103 GLN CA C 13 58.073 0.054 . . . . . . 507 GLN CA . 19885 1 468 . 1 1 103 103 GLN CB C 13 26.321 0.025 . . . . . . 507 GLN CB . 19885 1 469 . 1 1 103 103 GLN N N 15 113.949 0.062 . . . . . . 507 GLN N . 19885 1 470 . 1 1 104 104 ALA H H 1 7.193 0.009 . . . . . . 508 ALA H . 19885 1 471 . 1 1 104 104 ALA C C 13 178.474 0.060 . . . . . . 508 ALA CO . 19885 1 472 . 1 1 104 104 ALA CA C 13 53.059 0.080 . . . . . . 508 ALA CA . 19885 1 473 . 1 1 104 104 ALA CB C 13 19.410 0.018 . . . . . . 508 ALA CB . 19885 1 474 . 1 1 104 104 ALA N N 15 117.810 0.063 . . . . . . 508 ALA N . 19885 1 475 . 1 1 105 105 VAL H H 1 6.990 0.009 . . . . . . 509 VAL H . 19885 1 476 . 1 1 105 105 VAL HG11 H 1 0.152 0.007 . . . . . . 509 VAL HG1 . 19885 1 477 . 1 1 105 105 VAL HG12 H 1 0.152 0.007 . . . . . . 509 VAL HG1 . 19885 1 478 . 1 1 105 105 VAL HG13 H 1 0.152 0.007 . . . . . . 509 VAL HG1 . 19885 1 479 . 1 1 105 105 VAL HG21 H 1 0.505 0.007 . . . . . . 509 VAL HG2 . 19885 1 480 . 1 1 105 105 VAL HG22 H 1 0.505 0.007 . . . . . . 509 VAL HG2 . 19885 1 481 . 1 1 105 105 VAL HG23 H 1 0.505 0.007 . . . . . . 509 VAL HG2 . 19885 1 482 . 1 1 105 105 VAL C C 13 178.833 0.060 . . . . . . 509 VAL CO . 19885 1 483 . 1 1 105 105 VAL CA C 13 59.584 0.069 . . . . . . 509 VAL CA . 19885 1 484 . 1 1 105 105 VAL CB C 13 32.636 0.001 . . . . . . 509 VAL CB . 19885 1 485 . 1 1 105 105 VAL CG1 C 13 19.036 0.060 . . . . . . 509 VAL CG1 . 19885 1 486 . 1 1 105 105 VAL CG2 C 13 20.077 0.060 . . . . . . 509 VAL CG2 . 19885 1 487 . 1 1 105 105 VAL N N 15 104.928 0.072 . . . . . . 509 VAL N . 19885 1 488 . 1 1 106 106 LYS H H 1 7.252 0.009 . . . . . . 510 LYS H . 19885 1 489 . 1 1 106 106 LYS C C 13 178.002 0.060 . . . . . . 510 LYS CO . 19885 1 490 . 1 1 106 106 LYS CA C 13 59.235 0.093 . . . . . . 510 LYS CA . 19885 1 491 . 1 1 106 106 LYS CB C 13 30.396 0.003 . . . . . . 510 LYS CB . 19885 1 492 . 1 1 106 106 LYS N N 15 126.565 0.064 . . . . . . 510 LYS N . 19885 1 493 . 1 1 107 107 ARG H H 1 8.593 0.009 . . . . . . 511 ARG H . 19885 1 494 . 1 1 107 107 ARG CA C 13 56.969 0.060 . . . . . . 511 ARG CA . 19885 1 495 . 1 1 107 107 ARG CB C 13 28.393 0.021 . . . . . . 511 ARG CB . 19885 1 496 . 1 1 107 107 ARG N N 15 116.236 0.062 . . . . . . 511 ARG N . 19885 1 497 . 1 1 108 108 TRP H H 1 8.477 0.010 . . . . . . 512 TRP H . 19885 1 498 . 1 1 108 108 TRP HE1 H 1 10.293 0.007 . . . . . . 512 TRP HE1 . 19885 1 499 . 1 1 108 108 TRP C C 13 178.179 0.060 . . . . . . 512 TRP CO . 19885 1 500 . 1 1 108 108 TRP CA C 13 59.154 0.065 . . . . . . 512 TRP CA . 19885 1 501 . 1 1 108 108 TRP CB C 13 27.825 0.038 . . . . . . 512 TRP CB . 19885 1 502 . 1 1 108 108 TRP N N 15 120.092 0.058 . . . . . . 512 TRP N . 19885 1 503 . 1 1 108 108 TRP NE1 N 15 129.338 0.060 . . . . . . 512 TRP NE1 . 19885 1 504 . 1 1 109 109 THR H H 1 7.356 0.007 . . . . . . 513 THR H . 19885 1 505 . 1 1 109 109 THR C C 13 174.181 0.060 . . . . . . 513 THR CO . 19885 1 506 . 1 1 109 109 THR CA C 13 60.060 0.062 . . . . . . 513 THR CA . 19885 1 507 . 1 1 109 109 THR CB C 13 65.562 0.028 . . . . . . 513 THR CB . 19885 1 508 . 1 1 109 109 THR N N 15 105.836 0.061 . . . . . . 513 THR N . 19885 1 509 . 1 1 110 110 LYS H H 1 7.187 0.009 . . . . . . 514 LYS H . 19885 1 510 . 1 1 110 110 LYS C C 13 177.271 0.060 . . . . . . 514 LYS CO . 19885 1 511 . 1 1 110 110 LYS CA C 13 59.285 0.075 . . . . . . 514 LYS CA . 19885 1 512 . 1 1 110 110 LYS CB C 13 31.488 0.017 . . . . . . 514 LYS CB . 19885 1 513 . 1 1 110 110 LYS N N 15 120.770 0.055 . . . . . . 514 LYS N . 19885 1 514 . 1 1 111 111 LYS H H 1 8.520 0.009 . . . . . . 515 LYS H . 19885 1 515 . 1 1 111 111 LYS C C 13 175.550 0.060 . . . . . . 515 LYS CO . 19885 1 516 . 1 1 111 111 LYS CA C 13 55.075 0.100 . . . . . . 515 LYS CA . 19885 1 517 . 1 1 111 111 LYS CB C 13 31.340 0.028 . . . . . . 515 LYS CB . 19885 1 518 . 1 1 111 111 LYS N N 15 115.267 0.057 . . . . . . 515 LYS N . 19885 1 519 . 1 1 112 112 VAL H H 1 7.346 0.010 . . . . . . 516 VAL H . 19885 1 520 . 1 1 112 112 VAL HG11 H 1 1.035 0.007 . . . . . . 516 VAL HG1 . 19885 1 521 . 1 1 112 112 VAL HG12 H 1 1.035 0.007 . . . . . . 516 VAL HG1 . 19885 1 522 . 1 1 112 112 VAL HG13 H 1 1.035 0.007 . . . . . . 516 VAL HG1 . 19885 1 523 . 1 1 112 112 VAL HG21 H 1 0.828 0.007 . . . . . . 516 VAL HG2 . 19885 1 524 . 1 1 112 112 VAL HG22 H 1 0.828 0.007 . . . . . . 516 VAL HG2 . 19885 1 525 . 1 1 112 112 VAL HG23 H 1 0.828 0.007 . . . . . . 516 VAL HG2 . 19885 1 526 . 1 1 112 112 VAL C C 13 173.373 0.060 . . . . . . 516 VAL CO . 19885 1 527 . 1 1 112 112 VAL CA C 13 60.315 0.061 . . . . . . 516 VAL CA . 19885 1 528 . 1 1 112 112 VAL CB C 13 34.794 0.019 . . . . . . 516 VAL CB . 19885 1 529 . 1 1 112 112 VAL CG1 C 13 22.213 0.060 . . . . . . 516 VAL CG1 . 19885 1 530 . 1 1 112 112 VAL CG2 C 13 19.431 0.060 . . . . . . 516 VAL CG2 . 19885 1 531 . 1 1 112 112 VAL N N 15 118.521 0.052 . . . . . . 516 VAL N . 19885 1 532 . 1 1 113 113 ASP H H 1 8.502 0.008 . . . . . . 517 ASP H . 19885 1 533 . 1 1 113 113 ASP C C 13 178.171 0.060 . . . . . . 517 ASP CO . 19885 1 534 . 1 1 113 113 ASP CA C 13 50.719 0.038 . . . . . . 517 ASP CA . 19885 1 535 . 1 1 113 113 ASP CB C 13 39.298 0.029 . . . . . . 517 ASP CB . 19885 1 536 . 1 1 113 113 ASP N N 15 124.325 0.062 . . . . . . 517 ASP N . 19885 1 537 . 1 1 114 114 VAL H H 1 8.909 0.008 . . . . . . 518 VAL H . 19885 1 538 . 1 1 114 114 VAL HG11 H 1 0.709 0.007 . . . . . . 518 VAL HG1 . 19885 1 539 . 1 1 114 114 VAL HG12 H 1 0.709 0.007 . . . . . . 518 VAL HG1 . 19885 1 540 . 1 1 114 114 VAL HG13 H 1 0.709 0.007 . . . . . . 518 VAL HG1 . 19885 1 541 . 1 1 114 114 VAL HG21 H 1 0.246 0.007 . . . . . . 518 VAL HG2 . 19885 1 542 . 1 1 114 114 VAL HG22 H 1 0.246 0.007 . . . . . . 518 VAL HG2 . 19885 1 543 . 1 1 114 114 VAL HG23 H 1 0.246 0.007 . . . . . . 518 VAL HG2 . 19885 1 544 . 1 1 114 114 VAL C C 13 173.205 0.060 . . . . . . 518 VAL CO . 19885 1 545 . 1 1 114 114 VAL CA C 13 64.120 0.103 . . . . . . 518 VAL CA . 19885 1 546 . 1 1 114 114 VAL CG1 C 13 21.974 0.060 . . . . . . 518 VAL CG1 . 19885 1 547 . 1 1 114 114 VAL CG2 C 13 17.740 0.060 . . . . . . 518 VAL CG2 . 19885 1 548 . 1 1 114 114 VAL N N 15 121.419 0.062 . . . . . . 518 VAL N . 19885 1 549 . 1 1 115 115 PHE H H 1 7.223 0.004 . . . . . . 519 PHE H . 19885 1 550 . 1 1 115 115 PHE C C 13 176.500 0.060 . . . . . . 519 PHE CO . 19885 1 551 . 1 1 115 115 PHE CA C 13 57.900 0.014 . . . . . . 519 PHE CA . 19885 1 552 . 1 1 115 115 PHE CB C 13 36.872 0.022 . . . . . . 519 PHE CB . 19885 1 553 . 1 1 115 115 PHE N N 15 110.893 0.051 . . . . . . 519 PHE N . 19885 1 554 . 1 1 116 116 SER H H 1 7.457 0.007 . . . . . . 520 SER H . 19885 1 555 . 1 1 116 116 SER C C 13 173.635 0.060 . . . . . . 520 SER CO . 19885 1 556 . 1 1 116 116 SER CB C 13 64.082 0.002 . . . . . . 520 SER CB . 19885 1 557 . 1 1 116 116 SER N N 15 113.527 0.061 . . . . . . 520 SER N . 19885 1 558 . 1 1 117 117 VAL H H 1 6.675 0.009 . . . . . . 521 VAL H . 19885 1 559 . 1 1 117 117 VAL HG11 H 1 0.677 0.060 . . . . . . 521 VAL HG1 . 19885 1 560 . 1 1 117 117 VAL HG12 H 1 0.677 0.060 . . . . . . 521 VAL HG1 . 19885 1 561 . 1 1 117 117 VAL HG13 H 1 0.677 0.060 . . . . . . 521 VAL HG1 . 19885 1 562 . 1 1 117 117 VAL HG21 H 1 0.736 0.060 . . . . . . 521 VAL HG2 . 19885 1 563 . 1 1 117 117 VAL HG22 H 1 0.736 0.060 . . . . . . 521 VAL HG2 . 19885 1 564 . 1 1 117 117 VAL HG23 H 1 0.736 0.060 . . . . . . 521 VAL HG2 . 19885 1 565 . 1 1 117 117 VAL C C 13 174.363 0.060 . . . . . . 521 VAL CO . 19885 1 566 . 1 1 117 117 VAL CA C 13 58.421 0.072 . . . . . . 521 VAL CA . 19885 1 567 . 1 1 117 117 VAL CB C 13 33.049 0.021 . . . . . . 521 VAL CB . 19885 1 568 . 1 1 117 117 VAL CG1 C 13 21.474 0.060 . . . . . . 521 VAL CG1 . 19885 1 569 . 1 1 117 117 VAL CG2 C 13 19.203 0.060 . . . . . . 521 VAL CG2 . 19885 1 570 . 1 1 117 117 VAL N N 15 114.244 0.058 . . . . . . 521 VAL N . 19885 1 571 . 1 1 118 118 ASP H H 1 8.177 0.007 . . . . . . 522 ASP H . 19885 1 572 . 1 1 118 118 ASP CA C 13 57.671 0.030 . . . . . . 522 ASP CA . 19885 1 573 . 1 1 118 118 ASP CB C 13 42.241 0.023 . . . . . . 522 ASP CB . 19885 1 574 . 1 1 118 118 ASP N N 15 120.102 0.040 . . . . . . 522 ASP N . 19885 1 575 . 1 1 119 119 ILE H H 1 8.209 0.003 . . . . . . 523 ILE H . 19885 1 576 . 1 1 119 119 ILE CA C 13 59.234 0.060 . . . . . . 523 ILE CA . 19885 1 577 . 1 1 119 119 ILE N N 15 117.310 0.042 . . . . . . 523 ILE N . 19885 1 578 . 1 1 120 120 LEU H H 1 9.357 0.001 . . . . . . 524 LEU H . 19885 1 579 . 1 1 120 120 LEU HD11 H 1 0.826 0.007 . . . . . . 524 LEU HD# . 19885 1 580 . 1 1 120 120 LEU HD12 H 1 0.826 0.007 . . . . . . 524 LEU HD# . 19885 1 581 . 1 1 120 120 LEU HD13 H 1 0.826 0.007 . . . . . . 524 LEU HD# . 19885 1 582 . 1 1 120 120 LEU HD21 H 1 0.826 0.007 . . . . . . 524 LEU HD# . 19885 1 583 . 1 1 120 120 LEU HD22 H 1 0.826 0.007 . . . . . . 524 LEU HD# . 19885 1 584 . 1 1 120 120 LEU HD23 H 1 0.826 0.007 . . . . . . 524 LEU HD# . 19885 1 585 . 1 1 120 120 LEU CA C 13 51.912 0.060 . . . . . . 524 LEU CA . 19885 1 586 . 1 1 120 120 LEU CB C 13 42.117 0.060 . . . . . . 524 LEU CB . 19885 1 587 . 1 1 120 120 LEU CD1 C 13 24.458 0.060 . . . . . . 524 LEU CD# . 19885 1 588 . 1 1 120 120 LEU CD2 C 13 24.458 0.060 . . . . . . 524 LEU CD# . 19885 1 589 . 1 1 120 120 LEU N N 15 121.905 0.019 . . . . . . 524 LEU N . 19885 1 590 . 1 1 121 121 LEU H H 1 8.708 0.001 . . . . . . 525 LEU H . 19885 1 591 . 1 1 121 121 LEU HD11 H 1 0.737 0.007 . . . . . . 525 LEU HD1 . 19885 1 592 . 1 1 121 121 LEU HD12 H 1 0.737 0.007 . . . . . . 525 LEU HD1 . 19885 1 593 . 1 1 121 121 LEU HD13 H 1 0.737 0.007 . . . . . . 525 LEU HD1 . 19885 1 594 . 1 1 121 121 LEU HD21 H 1 0.713 0.007 . . . . . . 525 LEU HD2 . 19885 1 595 . 1 1 121 121 LEU HD22 H 1 0.713 0.007 . . . . . . 525 LEU HD2 . 19885 1 596 . 1 1 121 121 LEU HD23 H 1 0.713 0.007 . . . . . . 525 LEU HD2 . 19885 1 597 . 1 1 121 121 LEU CA C 13 53.109 0.060 . . . . . . 525 LEU CA . 19885 1 598 . 1 1 121 121 LEU CB C 13 43.667 0.060 . . . . . . 525 LEU CB . 19885 1 599 . 1 1 121 121 LEU CD1 C 13 27.473 0.060 . . . . . . 525 LEU CD1 . 19885 1 600 . 1 1 121 121 LEU CD2 C 13 23.613 0.060 . . . . . . 525 LEU CD2 . 19885 1 601 . 1 1 121 121 LEU N N 15 120.450 0.019 . . . . . . 525 LEU N . 19885 1 602 . 1 1 122 122 VAL H H 1 8.925 0.009 . . . . . . 526 VAL H . 19885 1 603 . 1 1 122 122 VAL HG11 H 1 -0.236 0.007 . . . . . . 526 VAL HG1 . 19885 1 604 . 1 1 122 122 VAL HG12 H 1 -0.236 0.007 . . . . . . 526 VAL HG1 . 19885 1 605 . 1 1 122 122 VAL HG13 H 1 -0.236 0.007 . . . . . . 526 VAL HG1 . 19885 1 606 . 1 1 122 122 VAL HG21 H 1 0.488 0.007 . . . . . . 526 VAL HG2 . 19885 1 607 . 1 1 122 122 VAL HG22 H 1 0.488 0.007 . . . . . . 526 VAL HG2 . 19885 1 608 . 1 1 122 122 VAL HG23 H 1 0.488 0.007 . . . . . . 526 VAL HG2 . 19885 1 609 . 1 1 122 122 VAL CA C 13 59.564 0.060 . . . . . . 526 VAL CA . 19885 1 610 . 1 1 122 122 VAL CB C 13 32.337 0.060 . . . . . . 526 VAL CB . 19885 1 611 . 1 1 122 122 VAL CG1 C 13 20.681 0.060 . . . . . . 526 VAL CG1 . 19885 1 612 . 1 1 122 122 VAL CG2 C 13 19.401 0.060 . . . . . . 526 VAL CG2 . 19885 1 613 . 1 1 122 122 VAL N N 15 120.847 0.035 . . . . . . 526 VAL N . 19885 1 614 . 1 1 124 124 ILE H H 1 8.737 0.007 . . . . . . 528 ILE H . 19885 1 615 . 1 1 124 124 ILE CA C 13 60.950 0.060 . . . . . . 528 ILE CA . 19885 1 616 . 1 1 124 124 ILE CB C 13 39.801 0.060 . . . . . . 528 ILE CB . 19885 1 617 . 1 1 124 124 ILE N N 15 125.023 0.041 . . . . . . 528 ILE N . 19885 1 618 . 1 1 125 125 HIS H H 1 9.036 0.011 . . . . . . 529 HIS H . 19885 1 619 . 1 1 125 125 HIS C C 13 174.067 0.060 . . . . . . 529 HIS CO . 19885 1 620 . 1 1 125 125 HIS CA C 13 50.979 0.061 . . . . . . 529 HIS CA . 19885 1 621 . 1 1 125 125 HIS CB C 13 29.375 0.031 . . . . . . 529 HIS CB . 19885 1 622 . 1 1 125 125 HIS N N 15 129.849 0.036 . . . . . . 529 HIS N . 19885 1 623 . 1 1 126 126 LEU H H 1 8.525 0.011 . . . . . . 530 LEU H . 19885 1 624 . 1 1 126 126 LEU HD11 H 1 0.874 0.007 . . . . . . 530 LEU HD1 . 19885 1 625 . 1 1 126 126 LEU HD12 H 1 0.874 0.007 . . . . . . 530 LEU HD1 . 19885 1 626 . 1 1 126 126 LEU HD13 H 1 0.874 0.007 . . . . . . 530 LEU HD1 . 19885 1 627 . 1 1 126 126 LEU HD21 H 1 0.770 0.007 . . . . . . 530 LEU HD2 . 19885 1 628 . 1 1 126 126 LEU HD22 H 1 0.770 0.007 . . . . . . 530 LEU HD2 . 19885 1 629 . 1 1 126 126 LEU HD23 H 1 0.770 0.007 . . . . . . 530 LEU HD2 . 19885 1 630 . 1 1 126 126 LEU C C 13 176.318 0.060 . . . . . . 530 LEU CO . 19885 1 631 . 1 1 126 126 LEU CA C 13 52.799 0.028 . . . . . . 530 LEU CA . 19885 1 632 . 1 1 126 126 LEU CB C 13 41.010 0.033 . . . . . . 530 LEU CB . 19885 1 633 . 1 1 126 126 LEU CD1 C 13 25.841 0.060 . . . . . . 530 LEU CD1 . 19885 1 634 . 1 1 126 126 LEU CD2 C 13 23.767 0.060 . . . . . . 530 LEU CD2 . 19885 1 635 . 1 1 126 126 LEU N N 15 130.501 0.101 . . . . . . 530 LEU N . 19885 1 636 . 1 1 127 127 GLY H H 1 8.157 0.012 . . . . . . 531 GLY H . 19885 1 637 . 1 1 127 127 GLY C C 13 174.790 0.060 . . . . . . 531 GLY CO . 19885 1 638 . 1 1 127 127 GLY CA C 13 46.001 0.042 . . . . . . 531 GLY CA . 19885 1 639 . 1 1 127 127 GLY N N 15 115.336 0.056 . . . . . . 531 GLY N . 19885 1 640 . 1 1 128 128 VAL H H 1 8.198 0.011 . . . . . . 532 VAL H . 19885 1 641 . 1 1 128 128 VAL HG11 H 1 0.532 0.007 . . . . . . 532 VAL HG1 . 19885 1 642 . 1 1 128 128 VAL HG12 H 1 0.532 0.007 . . . . . . 532 VAL HG1 . 19885 1 643 . 1 1 128 128 VAL HG13 H 1 0.532 0.007 . . . . . . 532 VAL HG1 . 19885 1 644 . 1 1 128 128 VAL HG21 H 1 0.584 0.007 . . . . . . 532 VAL HG2 . 19885 1 645 . 1 1 128 128 VAL HG22 H 1 0.584 0.007 . . . . . . 532 VAL HG2 . 19885 1 646 . 1 1 128 128 VAL HG23 H 1 0.584 0.007 . . . . . . 532 VAL HG2 . 19885 1 647 . 1 1 128 128 VAL C C 13 175.461 0.060 . . . . . . 532 VAL CO . 19885 1 648 . 1 1 128 128 VAL CA C 13 61.094 0.023 . . . . . . 532 VAL CA . 19885 1 649 . 1 1 128 128 VAL CB C 13 30.784 0.022 . . . . . . 532 VAL CB . 19885 1 650 . 1 1 128 128 VAL CG1 C 13 20.964 0.060 . . . . . . 532 VAL CG1 . 19885 1 651 . 1 1 128 128 VAL CG2 C 13 18.117 0.060 . . . . . . 532 VAL CG2 . 19885 1 652 . 1 1 128 128 VAL N N 15 119.810 0.072 . . . . . . 532 VAL N . 19885 1 653 . 1 1 129 129 HIS H H 1 7.803 0.007 . . . . . . 533 HIS H . 19885 1 654 . 1 1 129 129 HIS C C 13 174.498 0.060 . . . . . . 533 HIS CO . 19885 1 655 . 1 1 129 129 HIS CA C 13 55.280 0.060 . . . . . . 533 HIS CA . 19885 1 656 . 1 1 129 129 HIS CB C 13 32.996 0.060 . . . . . . 533 HIS CB . 19885 1 657 . 1 1 129 129 HIS N N 15 121.771 0.068 . . . . . . 533 HIS N . 19885 1 658 . 1 1 130 130 TRP H H 1 6.407 0.017 . . . . . . 534 TRP H . 19885 1 659 . 1 1 130 130 TRP HE1 H 1 9.377 0.007 . . . . . . 534 TRP HE1 . 19885 1 660 . 1 1 130 130 TRP CA C 13 55.915 0.049 . . . . . . 534 TRP CA . 19885 1 661 . 1 1 130 130 TRP CB C 13 32.490 0.037 . . . . . . 534 TRP CB . 19885 1 662 . 1 1 130 130 TRP N N 15 125.300 0.090 . . . . . . 534 TRP N . 19885 1 663 . 1 1 130 130 TRP NE1 N 15 128.192 0.060 . . . . . . 534 TRP NE1 . 19885 1 664 . 1 1 131 131 CYS H H 1 9.461 0.011 . . . . . . 535 CYS H . 19885 1 665 . 1 1 131 131 CYS C C 13 171.965 0.060 . . . . . . 535 CYS CO . 19885 1 666 . 1 1 131 131 CYS CA C 13 56.548 0.043 . . . . . . 535 CYS CA . 19885 1 667 . 1 1 131 131 CYS CB C 13 30.615 0.018 . . . . . . 535 CYS CB . 19885 1 668 . 1 1 131 131 CYS N N 15 117.220 0.036 . . . . . . 535 CYS N . 19885 1 669 . 1 1 132 132 LEU H H 1 7.905 0.006 . . . . . . 536 LEU H . 19885 1 670 . 1 1 132 132 LEU HD11 H 1 0.679 0.007 . . . . . . 536 LEU HD1 . 19885 1 671 . 1 1 132 132 LEU HD12 H 1 0.679 0.007 . . . . . . 536 LEU HD1 . 19885 1 672 . 1 1 132 132 LEU HD13 H 1 0.679 0.007 . . . . . . 536 LEU HD1 . 19885 1 673 . 1 1 132 132 LEU HD21 H 1 0.597 0.007 . . . . . . 536 LEU HD2 . 19885 1 674 . 1 1 132 132 LEU HD22 H 1 0.597 0.007 . . . . . . 536 LEU HD2 . 19885 1 675 . 1 1 132 132 LEU HD23 H 1 0.597 0.007 . . . . . . 536 LEU HD2 . 19885 1 676 . 1 1 132 132 LEU CA C 13 54.008 0.027 . . . . . . 536 LEU CA . 19885 1 677 . 1 1 132 132 LEU CB C 13 46.487 0.031 . . . . . . 536 LEU CB . 19885 1 678 . 1 1 132 132 LEU CD1 C 13 22.301 0.060 . . . . . . 536 LEU CD1 . 19885 1 679 . 1 1 132 132 LEU CD2 C 13 26.282 0.060 . . . . . . 536 LEU CD2 . 19885 1 680 . 1 1 132 132 LEU N N 15 120.825 0.082 . . . . . . 536 LEU N . 19885 1 681 . 1 1 133 133 ALA H H 1 8.835 0.008 . . . . . . 537 ALA H . 19885 1 682 . 1 1 133 133 ALA CA C 13 49.576 0.060 . . . . . . 537 ALA CA . 19885 1 683 . 1 1 133 133 ALA CB C 13 20.964 0.060 . . . . . . 537 ALA CB . 19885 1 684 . 1 1 133 133 ALA N N 15 126.773 0.020 . . . . . . 537 ALA N . 19885 1 685 . 1 1 134 134 VAL H H 1 9.071 0.014 . . . . . . 538 VAL H . 19885 1 686 . 1 1 134 134 VAL HG11 H 1 0.870 0.007 . . . . . . 538 VAL HG1 . 19885 1 687 . 1 1 134 134 VAL HG12 H 1 0.870 0.007 . . . . . . 538 VAL HG1 . 19885 1 688 . 1 1 134 134 VAL HG13 H 1 0.870 0.007 . . . . . . 538 VAL HG1 . 19885 1 689 . 1 1 134 134 VAL HG21 H 1 0.809 0.007 . . . . . . 538 VAL HG2 . 19885 1 690 . 1 1 134 134 VAL HG22 H 1 0.809 0.007 . . . . . . 538 VAL HG2 . 19885 1 691 . 1 1 134 134 VAL HG23 H 1 0.809 0.007 . . . . . . 538 VAL HG2 . 19885 1 692 . 1 1 134 134 VAL C C 13 174.727 0.060 . . . . . . 538 VAL CO . 19885 1 693 . 1 1 134 134 VAL CA C 13 60.449 0.060 . . . . . . 538 VAL CA . 19885 1 694 . 1 1 134 134 VAL CB C 13 35.413 0.060 . . . . . . 538 VAL CB . 19885 1 695 . 1 1 134 134 VAL CG1 C 13 21.698 0.060 . . . . . . 538 VAL CG1 . 19885 1 696 . 1 1 134 134 VAL CG2 C 13 21.913 0.060 . . . . . . 538 VAL CG2 . 19885 1 697 . 1 1 134 134 VAL N N 15 119.546 0.197 . . . . . . 538 VAL N . 19885 1 698 . 1 1 135 135 VAL H H 1 9.402 0.010 . . . . . . 539 VAL H . 19885 1 699 . 1 1 135 135 VAL HG11 H 1 0.441 0.007 . . . . . . 539 VAL HG1 . 19885 1 700 . 1 1 135 135 VAL HG12 H 1 0.441 0.007 . . . . . . 539 VAL HG1 . 19885 1 701 . 1 1 135 135 VAL HG13 H 1 0.441 0.007 . . . . . . 539 VAL HG1 . 19885 1 702 . 1 1 135 135 VAL HG21 H 1 0.881 0.007 . . . . . . 539 VAL HG2 . 19885 1 703 . 1 1 135 135 VAL HG22 H 1 0.881 0.007 . . . . . . 539 VAL HG2 . 19885 1 704 . 1 1 135 135 VAL HG23 H 1 0.881 0.007 . . . . . . 539 VAL HG2 . 19885 1 705 . 1 1 135 135 VAL CA C 13 60.873 0.060 . . . . . . 539 VAL CA . 19885 1 706 . 1 1 135 135 VAL CB C 13 32.053 0.060 . . . . . . 539 VAL CB . 19885 1 707 . 1 1 135 135 VAL CG1 C 13 20.502 0.060 . . . . . . 539 VAL CG1 . 19885 1 708 . 1 1 135 135 VAL CG2 C 13 19.475 0.060 . . . . . . 539 VAL CG2 . 19885 1 709 . 1 1 135 135 VAL N N 15 130.501 0.022 . . . . . . 539 VAL N . 19885 1 710 . 1 1 136 136 ASP H H 1 8.954 0.006 . . . . . . 540 ASP H . 19885 1 711 . 1 1 136 136 ASP CA C 13 51.922 0.060 . . . . . . 540 ASP CA . 19885 1 712 . 1 1 136 136 ASP CB C 13 41.816 0.060 . . . . . . 540 ASP CB . 19885 1 713 . 1 1 136 136 ASP N N 15 126.546 0.026 . . . . . . 540 ASP N . 19885 1 714 . 1 1 137 137 PHE H H 1 9.479 0.005 . . . . . . 541 PHE H . 19885 1 715 . 1 1 137 137 PHE CA C 13 62.022 0.060 . . . . . . 541 PHE CA . 19885 1 716 . 1 1 137 137 PHE CB C 13 39.187 0.060 . . . . . . 541 PHE CB . 19885 1 717 . 1 1 137 137 PHE N N 15 123.936 0.061 . . . . . . 541 PHE N . 19885 1 718 . 1 1 138 138 ARG H H 1 8.714 0.009 . . . . . . 542 ARG H . 19885 1 719 . 1 1 138 138 ARG C C 13 179.074 0.060 . . . . . . 542 ARG CO . 19885 1 720 . 1 1 138 138 ARG CA C 13 57.300 0.063 . . . . . . 542 ARG CA . 19885 1 721 . 1 1 138 138 ARG CB C 13 28.607 0.009 . . . . . . 542 ARG CB . 19885 1 722 . 1 1 138 138 ARG N N 15 117.561 0.066 . . . . . . 542 ARG N . 19885 1 723 . 1 1 139 139 LYS H H 1 6.749 0.008 . . . . . . 543 LYS H . 19885 1 724 . 1 1 139 139 LYS C C 13 175.221 0.060 . . . . . . 543 LYS CO . 19885 1 725 . 1 1 139 139 LYS CA C 13 54.808 0.099 . . . . . . 543 LYS CA . 19885 1 726 . 1 1 139 139 LYS CB C 13 33.288 0.040 . . . . . . 543 LYS CB . 19885 1 727 . 1 1 139 139 LYS N N 15 114.224 0.054 . . . . . . 543 LYS N . 19885 1 728 . 1 1 140 140 LYS H H 1 7.423 0.007 . . . . . . 544 LYS H . 19885 1 729 . 1 1 140 140 LYS C C 13 175.247 0.060 . . . . . . 544 LYS CO . 19885 1 730 . 1 1 140 140 LYS CA C 13 55.562 0.060 . . . . . . 544 LYS CA . 19885 1 731 . 1 1 140 140 LYS CB C 13 27.641 0.016 . . . . . . 544 LYS CB . 19885 1 732 . 1 1 140 140 LYS N N 15 115.776 0.062 . . . . . . 544 LYS N . 19885 1 733 . 1 1 141 141 ASN H H 1 7.230 0.008 . . . . . . 545 ASN H . 19885 1 734 . 1 1 141 141 ASN C C 13 173.859 0.060 . . . . . . 545 ASN CO . 19885 1 735 . 1 1 141 141 ASN CA C 13 51.023 0.041 . . . . . . 545 ASN CA . 19885 1 736 . 1 1 141 141 ASN CB C 13 42.123 0.008 . . . . . . 545 ASN CB . 19885 1 737 . 1 1 141 141 ASN N N 15 113.498 0.054 . . . . . . 545 ASN N . 19885 1 738 . 1 1 142 142 ILE H H 1 8.432 0.008 . . . . . . 546 ILE H . 19885 1 739 . 1 1 142 142 ILE CA C 13 61.517 0.047 . . . . . . 546 ILE CA . 19885 1 740 . 1 1 142 142 ILE N N 15 120.288 0.054 . . . . . . 546 ILE N . 19885 1 741 . 1 1 143 143 THR H H 1 8.781 0.004 . . . . . . 547 THR H . 19885 1 742 . 1 1 143 143 THR CA C 13 60.921 0.060 . . . . . . 547 THR CA . 19885 1 743 . 1 1 143 143 THR CB C 13 70.493 0.060 . . . . . . 547 THR CB . 19885 1 744 . 1 1 143 143 THR N N 15 121.352 0.055 . . . . . . 547 THR N . 19885 1 745 . 1 1 144 144 TYR H H 1 8.727 0.015 . . . . . . 548 TYR H . 19885 1 746 . 1 1 144 144 TYR CA C 13 57.227 0.060 . . . . . . 548 TYR CA . 19885 1 747 . 1 1 144 144 TYR CB C 13 40.796 0.060 . . . . . . 548 TYR CB . 19885 1 748 . 1 1 144 144 TYR N N 15 128.981 0.032 . . . . . . 548 TYR N . 19885 1 749 . 1 1 145 145 TYR H H 1 9.079 0.010 . . . . . . 549 TYR H . 19885 1 750 . 1 1 145 145 TYR CB C 13 40.072 0.060 . . . . . . 549 TYR CB . 19885 1 751 . 1 1 145 145 TYR N N 15 125.239 0.041 . . . . . . 549 TYR N . 19885 1 752 . 1 1 146 146 ASP H H 1 8.116 0.012 . . . . . . 550 ASP H . 19885 1 753 . 1 1 146 146 ASP C C 13 177.444 0.060 . . . . . . 550 ASP CO . 19885 1 754 . 1 1 146 146 ASP CA C 13 52.549 0.054 . . . . . . 550 ASP CA . 19885 1 755 . 1 1 146 146 ASP CB C 13 43.937 0.014 . . . . . . 550 ASP CB . 19885 1 756 . 1 1 146 146 ASP N N 15 123.169 0.110 . . . . . . 550 ASP N . 19885 1 757 . 1 1 147 147 SER H H 1 9.519 0.009 . . . . . . 551 SER H . 19885 1 758 . 1 1 147 147 SER C C 13 174.422 0.060 . . . . . . 551 SER CO . 19885 1 759 . 1 1 147 147 SER CA C 13 60.463 0.011 . . . . . . 551 SER CA . 19885 1 760 . 1 1 147 147 SER CB C 13 62.962 0.017 . . . . . . 551 SER CB . 19885 1 761 . 1 1 147 147 SER N N 15 122.969 0.103 . . . . . . 551 SER N . 19885 1 762 . 1 1 148 148 MET H H 1 9.320 0.007 . . . . . . 552 MET H . 19885 1 763 . 1 1 148 148 MET C C 13 178.972 0.060 . . . . . . 552 MET CO . 19885 1 764 . 1 1 148 148 MET CA C 13 54.901 0.042 . . . . . . 552 MET CA . 19885 1 765 . 1 1 148 148 MET CB C 13 34.489 0.020 . . . . . . 552 MET CB . 19885 1 766 . 1 1 148 148 MET N N 15 122.574 0.047 . . . . . . 552 MET N . 19885 1 767 . 1 1 149 149 GLY H H 1 7.890 0.008 . . . . . . 553 GLY H . 19885 1 768 . 1 1 149 149 GLY C C 13 175.385 0.060 . . . . . . 553 GLY CO . 19885 1 769 . 1 1 149 149 GLY CA C 13 46.475 0.060 . . . . . . 553 GLY CA . 19885 1 770 . 1 1 149 149 GLY N N 15 109.507 0.054 . . . . . . 553 GLY N . 19885 1 771 . 1 1 150 150 GLY H H 1 7.510 0.007 . . . . . . 554 GLY H . 19885 1 772 . 1 1 150 150 GLY C C 13 171.658 0.060 . . . . . . 554 GLY CO . 19885 1 773 . 1 1 150 150 GLY CA C 13 44.928 0.027 . . . . . . 554 GLY CA . 19885 1 774 . 1 1 150 150 GLY N N 15 107.555 0.051 . . . . . . 554 GLY N . 19885 1 775 . 1 1 151 151 ILE H H 1 8.050 0.018 . . . . . . 555 ILE H . 19885 1 776 . 1 1 151 151 ILE C C 13 176.285 0.060 . . . . . . 555 ILE CO . 19885 1 777 . 1 1 151 151 ILE CA C 13 59.215 0.067 . . . . . . 555 ILE CA . 19885 1 778 . 1 1 151 151 ILE CB C 13 37.955 0.073 . . . . . . 555 ILE CB . 19885 1 779 . 1 1 151 151 ILE N N 15 118.138 0.064 . . . . . . 555 ILE N . 19885 1 780 . 1 1 152 152 ASN H H 1 7.762 0.011 . . . . . . 556 ASN H . 19885 1 781 . 1 1 152 152 ASN CA C 13 50.688 0.016 . . . . . . 556 ASN CA . 19885 1 782 . 1 1 152 152 ASN CB C 13 36.209 0.034 . . . . . . 556 ASN CB . 19885 1 783 . 1 1 152 152 ASN N N 15 124.106 0.108 . . . . . . 556 ASN N . 19885 1 784 . 1 1 153 153 ASN H H 1 8.339 0.013 . . . . . . 557 ASN H . 19885 1 785 . 1 1 153 153 ASN CA C 13 55.660 0.060 . . . . . . 557 ASN CA . 19885 1 786 . 1 1 153 153 ASN CB C 13 37.225 0.049 . . . . . . 557 ASN CB . 19885 1 787 . 1 1 153 153 ASN N N 15 121.312 0.052 . . . . . . 557 ASN N . 19885 1 788 . 1 1 154 154 GLU H H 1 8.531 0.008 . . . . . . 558 GLU H . 19885 1 789 . 1 1 154 154 GLU CA C 13 59.210 0.032 . . . . . . 558 GLU CA . 19885 1 790 . 1 1 154 154 GLU CB C 13 28.223 0.004 . . . . . . 558 GLU CB . 19885 1 791 . 1 1 154 154 GLU N N 15 120.721 0.042 . . . . . . 558 GLU N . 19885 1 792 . 1 1 155 155 ALA H H 1 7.491 0.006 . . . . . . 559 ALA H . 19885 1 793 . 1 1 155 155 ALA C C 13 179.228 0.060 . . . . . . 559 ALA CO . 19885 1 794 . 1 1 155 155 ALA CA C 13 55.072 0.035 . . . . . . 559 ALA CA . 19885 1 795 . 1 1 155 155 ALA CB C 13 17.209 0.030 . . . . . . 559 ALA CB . 19885 1 796 . 1 1 155 155 ALA N N 15 120.499 0.062 . . . . . . 559 ALA N . 19885 1 797 . 1 1 156 156 CYS H H 1 6.803 0.009 . . . . . . 560 CYS H . 19885 1 798 . 1 1 156 156 CYS C C 13 176.152 0.060 . . . . . . 560 CYS CO . 19885 1 799 . 1 1 156 156 CYS CA C 13 61.861 0.070 . . . . . . 560 CYS CA . 19885 1 800 . 1 1 156 156 CYS CB C 13 26.362 0.047 . . . . . . 560 CYS CB . 19885 1 801 . 1 1 156 156 CYS N N 15 111.946 0.041 . . . . . . 560 CYS N . 19885 1 802 . 1 1 157 157 ARG H H 1 8.077 0.007 . . . . . . 561 ARG H . 19885 1 803 . 1 1 157 157 ARG C C 13 179.458 0.060 . . . . . . 561 ARG CO . 19885 1 804 . 1 1 157 157 ARG CA C 13 59.736 0.033 . . . . . . 561 ARG CA . 19885 1 805 . 1 1 157 157 ARG CB C 13 29.122 0.060 . . . . . . 561 ARG CB . 19885 1 806 . 1 1 157 157 ARG N N 15 120.238 0.060 . . . . . . 561 ARG N . 19885 1 807 . 1 1 158 158 ILE H H 1 8.583 0.009 . . . . . . 562 ILE H . 19885 1 808 . 1 1 158 158 ILE C C 13 179.283 0.060 . . . . . . 562 ILE CO . 19885 1 809 . 1 1 158 158 ILE CA C 13 64.773 0.050 . . . . . . 562 ILE CA . 19885 1 810 . 1 1 158 158 ILE CB C 13 36.965 0.012 . . . . . . 562 ILE CB . 19885 1 811 . 1 1 158 158 ILE N N 15 120.588 0.050 . . . . . . 562 ILE N . 19885 1 812 . 1 1 159 159 LEU H H 1 7.580 0.010 . . . . . . 563 LEU H . 19885 1 813 . 1 1 159 159 LEU HD11 H 1 0.714 0.007 . . . . . . 563 LEU HD1 . 19885 1 814 . 1 1 159 159 LEU HD12 H 1 0.714 0.007 . . . . . . 563 LEU HD1 . 19885 1 815 . 1 1 159 159 LEU HD13 H 1 0.714 0.007 . . . . . . 563 LEU HD1 . 19885 1 816 . 1 1 159 159 LEU HD21 H 1 0.791 0.007 . . . . . . 563 LEU HD2 . 19885 1 817 . 1 1 159 159 LEU HD22 H 1 0.791 0.007 . . . . . . 563 LEU HD2 . 19885 1 818 . 1 1 159 159 LEU HD23 H 1 0.791 0.007 . . . . . . 563 LEU HD2 . 19885 1 819 . 1 1 159 159 LEU C C 13 177.668 0.060 . . . . . . 563 LEU CO . 19885 1 820 . 1 1 159 159 LEU CA C 13 56.989 0.065 . . . . . . 563 LEU CA . 19885 1 821 . 1 1 159 159 LEU CB C 13 41.139 0.020 . . . . . . 563 LEU CB . 19885 1 822 . 1 1 159 159 LEU CD1 C 13 26.070 0.060 . . . . . . 563 LEU CD1 . 19885 1 823 . 1 1 159 159 LEU CD2 C 13 22.794 0.060 . . . . . . 563 LEU CD2 . 19885 1 824 . 1 1 159 159 LEU N N 15 120.645 0.067 . . . . . . 563 LEU N . 19885 1 825 . 1 1 160 160 LEU H H 1 7.989 0.008 . . . . . . 564 LEU H . 19885 1 826 . 1 1 160 160 LEU HD11 H 1 0.503 0.007 . . . . . . 564 LEU HD1 . 19885 1 827 . 1 1 160 160 LEU HD12 H 1 0.503 0.007 . . . . . . 564 LEU HD1 . 19885 1 828 . 1 1 160 160 LEU HD13 H 1 0.503 0.007 . . . . . . 564 LEU HD1 . 19885 1 829 . 1 1 160 160 LEU HD21 H 1 0.873 0.007 . . . . . . 564 LEU HD2 . 19885 1 830 . 1 1 160 160 LEU HD22 H 1 0.873 0.007 . . . . . . 564 LEU HD2 . 19885 1 831 . 1 1 160 160 LEU HD23 H 1 0.873 0.007 . . . . . . 564 LEU HD2 . 19885 1 832 . 1 1 160 160 LEU CA C 13 57.863 0.069 . . . . . . 564 LEU CA . 19885 1 833 . 1 1 160 160 LEU CB C 13 40.586 0.060 . . . . . . 564 LEU CB . 19885 1 834 . 1 1 160 160 LEU CD1 C 13 23.029 0.060 . . . . . . 564 LEU CD1 . 19885 1 835 . 1 1 160 160 LEU CD2 C 13 25.722 0.060 . . . . . . 564 LEU CD2 . 19885 1 836 . 1 1 160 160 LEU N N 15 122.277 0.065 . . . . . . 564 LEU N . 19885 1 837 . 1 1 161 161 GLN H H 1 7.945 0.007 . . . . . . 565 GLN H . 19885 1 838 . 1 1 161 161 GLN C C 13 178.554 0.060 . . . . . . 565 GLN CO . 19885 1 839 . 1 1 161 161 GLN CB C 13 27.023 0.022 . . . . . . 565 GLN CB . 19885 1 840 . 1 1 161 161 GLN N N 15 116.169 0.063 . . . . . . 565 GLN N . 19885 1 841 . 1 1 162 162 TYR H H 1 8.147 0.004 . . . . . . 566 TYR H . 19885 1 842 . 1 1 162 162 TYR CA C 13 61.262 0.060 . . . . . . 566 TYR CA . 19885 1 843 . 1 1 162 162 TYR CB C 13 36.890 0.060 . . . . . . 566 TYR CB . 19885 1 844 . 1 1 162 162 TYR N N 15 121.414 0.015 . . . . . . 566 TYR N . 19885 1 845 . 1 1 163 163 LEU H H 1 7.756 0.004 . . . . . . 567 LEU H . 19885 1 846 . 1 1 163 163 LEU HD11 H 1 0.298 0.007 . . . . . . 567 LEU HD1 . 19885 1 847 . 1 1 163 163 LEU HD12 H 1 0.298 0.007 . . . . . . 567 LEU HD1 . 19885 1 848 . 1 1 163 163 LEU HD13 H 1 0.298 0.007 . . . . . . 567 LEU HD1 . 19885 1 849 . 1 1 163 163 LEU HD21 H 1 0.574 0.007 . . . . . . 567 LEU HD2 . 19885 1 850 . 1 1 163 163 LEU HD22 H 1 0.574 0.007 . . . . . . 567 LEU HD2 . 19885 1 851 . 1 1 163 163 LEU HD23 H 1 0.574 0.007 . . . . . . 567 LEU HD2 . 19885 1 852 . 1 1 163 163 LEU CA C 13 57.690 0.060 . . . . . . 567 LEU CA . 19885 1 853 . 1 1 163 163 LEU CB C 13 39.693 0.060 . . . . . . 567 LEU CB . 19885 1 854 . 1 1 163 163 LEU CD1 C 13 26.027 0.060 . . . . . . 567 LEU CD1 . 19885 1 855 . 1 1 163 163 LEU CD2 C 13 21.698 0.060 . . . . . . 567 LEU CD2 . 19885 1 856 . 1 1 163 163 LEU N N 15 118.927 0.105 . . . . . . 567 LEU N . 19885 1 857 . 1 1 164 164 LYS H H 1 7.436 0.006 . . . . . . 568 LYS H . 19885 1 858 . 1 1 164 164 LYS C C 13 180.159 0.060 . . . . . . 568 LYS CO . 19885 1 859 . 1 1 164 164 LYS CA C 13 59.666 0.041 . . . . . . 568 LYS CA . 19885 1 860 . 1 1 164 164 LYS CB C 13 31.072 0.084 . . . . . . 568 LYS CB . 19885 1 861 . 1 1 164 164 LYS N N 15 116.321 0.093 . . . . . . 568 LYS N . 19885 1 862 . 1 1 165 165 GLN H H 1 7.710 0.008 . . . . . . 569 GLN H . 19885 1 863 . 1 1 165 165 GLN C C 13 178.121 0.060 . . . . . . 569 GLN CO . 19885 1 864 . 1 1 165 165 GLN CA C 13 58.376 0.043 . . . . . . 569 GLN CA . 19885 1 865 . 1 1 165 165 GLN CB C 13 26.837 0.046 . . . . . . 569 GLN CB . 19885 1 866 . 1 1 165 165 GLN N N 15 119.281 0.054 . . . . . . 569 GLN N . 19885 1 867 . 1 1 166 166 GLU H H 1 8.874 0.007 . . . . . . 570 GLU H . 19885 1 868 . 1 1 166 166 GLU C C 13 178.511 0.060 . . . . . . 570 GLU CO . 19885 1 869 . 1 1 166 166 GLU CA C 13 57.248 0.082 . . . . . . 570 GLU CA . 19885 1 870 . 1 1 166 166 GLU CB C 13 27.850 0.059 . . . . . . 570 GLU CB . 19885 1 871 . 1 1 166 166 GLU N N 15 123.757 0.059 . . . . . . 570 GLU N . 19885 1 872 . 1 1 167 167 SER H H 1 8.112 0.008 . . . . . . 571 SER H . 19885 1 873 . 1 1 167 167 SER CA C 13 61.824 0.053 . . . . . . 571 SER CA . 19885 1 874 . 1 1 167 167 SER CB C 13 63.591 0.051 . . . . . . 571 SER CB . 19885 1 875 . 1 1 167 167 SER N N 15 113.072 0.057 . . . . . . 571 SER N . 19885 1 876 . 1 1 168 168 ILE H H 1 7.085 0.010 . . . . . . 572 ILE H . 19885 1 877 . 1 1 168 168 ILE C C 13 178.898 0.060 . . . . . . 572 ILE CO . 19885 1 878 . 1 1 168 168 ILE CA C 13 64.046 0.063 . . . . . . 572 ILE CA . 19885 1 879 . 1 1 168 168 ILE CB C 13 36.762 0.018 . . . . . . 572 ILE CB . 19885 1 880 . 1 1 168 168 ILE N N 15 120.025 0.061 . . . . . . 572 ILE N . 19885 1 881 . 1 1 169 169 ASP H H 1 8.267 0.006 . . . . . . 573 ASP H . 19885 1 882 . 1 1 169 169 ASP CA C 13 58.589 0.097 . . . . . . 573 ASP CA . 19885 1 883 . 1 1 169 169 ASP CB C 13 45.295 0.057 . . . . . . 573 ASP CB . 19885 1 884 . 1 1 169 169 ASP N N 15 119.596 0.096 . . . . . . 573 ASP N . 19885 1 885 . 1 1 170 170 LYS H H 1 8.537 0.006 . . . . . . 574 LYS H . 19885 1 886 . 1 1 170 170 LYS CA C 13 55.261 0.081 . . . . . . 574 LYS CA . 19885 1 887 . 1 1 170 170 LYS N N 15 110.111 0.095 . . . . . . 574 LYS N . 19885 1 888 . 1 1 176 176 ASP C C 13 175.974 0.060 . . . . . . 580 ASP CO . 19885 1 889 . 1 1 176 176 ASP CA C 13 53.108 0.072 . . . . . . 580 ASP CA . 19885 1 890 . 1 1 177 177 THR H H 1 8.005 0.007 . . . . . . 581 THR H . 19885 1 891 . 1 1 177 177 THR C C 13 176.370 0.060 . . . . . . 581 THR CO . 19885 1 892 . 1 1 177 177 THR CA C 13 61.607 0.040 . . . . . . 581 THR CA . 19885 1 893 . 1 1 177 177 THR CB C 13 67.992 0.005 . . . . . . 581 THR CB . 19885 1 894 . 1 1 177 177 THR N N 15 114.488 0.063 . . . . . . 581 THR N . 19885 1 895 . 1 1 178 178 ASN H H 1 8.559 0.007 . . . . . . 582 ASN H . 19885 1 896 . 1 1 178 178 ASN C C 13 177.026 0.060 . . . . . . 582 ASN CO . 19885 1 897 . 1 1 178 178 ASN CA C 13 55.671 0.031 . . . . . . 582 ASN CA . 19885 1 898 . 1 1 178 178 ASN CB C 13 37.704 0.003 . . . . . . 582 ASN CB . 19885 1 899 . 1 1 178 178 ASN N N 15 124.721 0.046 . . . . . . 582 ASN N . 19885 1 900 . 1 1 179 179 GLY H H 1 8.964 0.006 . . . . . . 583 GLY H . 19885 1 901 . 1 1 179 179 GLY C C 13 174.640 0.060 . . . . . . 583 GLY CO . 19885 1 902 . 1 1 179 179 GLY CA C 13 45.005 0.050 . . . . . . 583 GLY CA . 19885 1 903 . 1 1 179 179 GLY N N 15 113.066 0.085 . . . . . . 583 GLY N . 19885 1 904 . 1 1 180 180 TRP H H 1 7.891 0.008 . . . . . . 584 TRP H . 19885 1 905 . 1 1 180 180 TRP HE1 H 1 10.207 0.007 . . . . . . 584 TRP HE1 . 19885 1 906 . 1 1 180 180 TRP C C 13 177.331 0.060 . . . . . . 584 TRP CO . 19885 1 907 . 1 1 180 180 TRP CA C 13 58.735 0.040 . . . . . . 584 TRP CA . 19885 1 908 . 1 1 180 180 TRP CB C 13 27.343 0.015 . . . . . . 584 TRP CB . 19885 1 909 . 1 1 180 180 TRP N N 15 120.551 0.065 . . . . . . 584 TRP N . 19885 1 910 . 1 1 180 180 TRP NE1 N 15 130.072 0.060 . . . . . . 584 TRP NE1 . 19885 1 911 . 1 1 181 181 GLN H H 1 8.320 0.008 . . . . . . 585 GLN H . 19885 1 912 . 1 1 181 181 GLN C C 13 173.396 0.060 . . . . . . 585 GLN CO . 19885 1 913 . 1 1 181 181 GLN CA C 13 54.336 0.033 . . . . . . 585 GLN CA . 19885 1 914 . 1 1 181 181 GLN CB C 13 32.617 0.002 . . . . . . 585 GLN CB . 19885 1 915 . 1 1 181 181 GLN N N 15 120.470 0.066 . . . . . . 585 GLN N . 19885 1 916 . 1 1 182 182 LEU H H 1 8.257 0.007 . . . . . . 586 LEU H . 19885 1 917 . 1 1 182 182 LEU HD11 H 1 0.875 0.007 . . . . . . 586 LEU HD1 . 19885 1 918 . 1 1 182 182 LEU HD12 H 1 0.875 0.007 . . . . . . 586 LEU HD1 . 19885 1 919 . 1 1 182 182 LEU HD13 H 1 0.875 0.007 . . . . . . 586 LEU HD1 . 19885 1 920 . 1 1 182 182 LEU HD21 H 1 1.060 0.007 . . . . . . 586 LEU HD2 . 19885 1 921 . 1 1 182 182 LEU HD22 H 1 1.060 0.007 . . . . . . 586 LEU HD2 . 19885 1 922 . 1 1 182 182 LEU HD23 H 1 1.060 0.007 . . . . . . 586 LEU HD2 . 19885 1 923 . 1 1 182 182 LEU C C 13 176.073 0.060 . . . . . . 586 LEU CO . 19885 1 924 . 1 1 182 182 LEU CA C 13 52.787 0.029 . . . . . . 586 LEU CA . 19885 1 925 . 1 1 182 182 LEU CB C 13 41.572 0.009 . . . . . . 586 LEU CB . 19885 1 926 . 1 1 182 182 LEU CD1 C 13 24.580 0.060 . . . . . . 586 LEU CD1 . 19885 1 927 . 1 1 182 182 LEU CD2 C 13 24.177 0.060 . . . . . . 586 LEU CD2 . 19885 1 928 . 1 1 182 182 LEU N N 15 122.471 0.085 . . . . . . 586 LEU N . 19885 1 929 . 1 1 183 183 PHE H H 1 9.007 0.010 . . . . . . 587 PHE H . 19885 1 930 . 1 1 183 183 PHE C C 13 174.710 0.060 . . . . . . 587 PHE CO . 19885 1 931 . 1 1 183 183 PHE CA C 13 56.274 0.044 . . . . . . 587 PHE CA . 19885 1 932 . 1 1 183 183 PHE CB C 13 41.980 0.033 . . . . . . 587 PHE CB . 19885 1 933 . 1 1 183 183 PHE N N 15 119.628 0.087 . . . . . . 587 PHE N . 19885 1 934 . 1 1 184 184 SER H H 1 8.550 0.007 . . . . . . 588 SER H . 19885 1 935 . 1 1 184 184 SER C C 13 174.522 0.060 . . . . . . 588 SER CO . 19885 1 936 . 1 1 184 184 SER CA C 13 57.584 0.072 . . . . . . 588 SER CA . 19885 1 937 . 1 1 184 184 SER CB C 13 64.741 0.007 . . . . . . 588 SER CB . 19885 1 938 . 1 1 184 184 SER N N 15 115.508 0.048 . . . . . . 588 SER N . 19885 1 939 . 1 1 185 185 LYS H H 1 8.375 0.005 . . . . . . 589 LYS H . 19885 1 940 . 1 1 185 185 LYS C C 13 176.928 0.060 . . . . . . 589 LYS CO . 19885 1 941 . 1 1 185 185 LYS CA C 13 54.504 0.035 . . . . . . 589 LYS CA . 19885 1 942 . 1 1 185 185 LYS CB C 13 30.677 0.054 . . . . . . 589 LYS CB . 19885 1 943 . 1 1 185 185 LYS N N 15 123.879 0.066 . . . . . . 589 LYS N . 19885 1 944 . 1 1 186 186 LYS H H 1 9.160 0.007 . . . . . . 590 LYS H . 19885 1 945 . 1 1 186 186 LYS C C 13 178.646 0.060 . . . . . . 590 LYS CO . 19885 1 946 . 1 1 186 186 LYS CA C 13 55.590 0.060 . . . . . . 590 LYS CA . 19885 1 947 . 1 1 186 186 LYS CB C 13 32.654 0.005 . . . . . . 590 LYS CB . 19885 1 948 . 1 1 186 186 LYS N N 15 124.442 0.046 . . . . . . 590 LYS N . 19885 1 949 . 1 1 187 187 SER H H 1 8.771 0.006 . . . . . . 591 SER H . 19885 1 950 . 1 1 187 187 SER C C 13 175.070 0.060 . . . . . . 591 SER CO . 19885 1 951 . 1 1 187 187 SER CA C 13 60.730 0.060 . . . . . . 591 SER CA . 19885 1 952 . 1 1 187 187 SER CB C 13 62.469 0.038 . . . . . . 591 SER CB . 19885 1 953 . 1 1 187 187 SER N N 15 116.878 0.051 . . . . . . 591 SER N . 19885 1 954 . 1 1 188 188 GLN H H 1 7.787 0.017 . . . . . . 592 GLN H . 19885 1 955 . 1 1 188 188 GLN C C 13 177.119 0.060 . . . . . . 592 GLN CO . 19885 1 956 . 1 1 188 188 GLN CA C 13 56.481 0.039 . . . . . . 592 GLN CA . 19885 1 957 . 1 1 188 188 GLN CB C 13 27.319 0.008 . . . . . . 592 GLN CB . 19885 1 958 . 1 1 188 188 GLN N N 15 114.421 0.061 . . . . . . 592 GLN N . 19885 1 959 . 1 1 189 189 GLU H H 1 8.147 0.006 . . . . . . 593 GLU H . 19885 1 960 . 1 1 189 189 GLU C C 13 176.185 0.060 . . . . . . 593 GLU CO . 19885 1 961 . 1 1 189 189 GLU CA C 13 56.788 0.028 . . . . . . 593 GLU CA . 19885 1 962 . 1 1 189 189 GLU CB C 13 31.514 0.060 . . . . . . 593 GLU CB . 19885 1 963 . 1 1 189 189 GLU N N 15 116.571 0.071 . . . . . . 593 GLU N . 19885 1 964 . 1 1 190 190 ILE H H 1 7.099 0.010 . . . . . . 594 ILE H . 19885 1 965 . 1 1 190 190 ILE CA C 13 57.233 0.068 . . . . . . 594 ILE CA . 19885 1 966 . 1 1 190 190 ILE CB C 13 39.464 0.047 . . . . . . 594 ILE CB . 19885 1 967 . 1 1 190 190 ILE N N 15 111.638 0.067 . . . . . . 594 ILE N . 19885 1 968 . 1 1 192 192 GLN H H 1 8.568 0.007 . . . . . . 596 GLN H . 19885 1 969 . 1 1 192 192 GLN C C 13 176.998 0.060 . . . . . . 596 GLN CO . 19885 1 970 . 1 1 192 192 GLN CA C 13 52.641 0.060 . . . . . . 596 GLN CA . 19885 1 971 . 1 1 192 192 GLN CB C 13 31.367 0.060 . . . . . . 596 GLN CB . 19885 1 972 . 1 1 192 192 GLN N N 15 119.776 0.056 . . . . . . 596 GLN N . 19885 1 973 . 1 1 193 193 GLN H H 1 8.670 0.009 . . . . . . 597 GLN H . 19885 1 974 . 1 1 193 193 GLN C C 13 175.677 0.060 . . . . . . 597 GLN CO . 19885 1 975 . 1 1 193 193 GLN CA C 13 53.866 0.060 . . . . . . 597 GLN CA . 19885 1 976 . 1 1 193 193 GLN CB C 13 28.195 0.060 . . . . . . 597 GLN CB . 19885 1 977 . 1 1 193 193 GLN N N 15 118.265 0.046 . . . . . . 597 GLN N . 19885 1 978 . 1 1 194 194 MET H H 1 9.450 0.009 . . . . . . 598 MET H . 19885 1 979 . 1 1 194 194 MET C C 13 175.887 0.060 . . . . . . 598 MET CO . 19885 1 980 . 1 1 194 194 MET CA C 13 55.496 0.060 . . . . . . 598 MET CA . 19885 1 981 . 1 1 194 194 MET CB C 13 33.978 0.092 . . . . . . 598 MET CB . 19885 1 982 . 1 1 194 194 MET N N 15 118.496 0.123 . . . . . . 598 MET N . 19885 1 983 . 1 1 195 195 ASN H H 1 7.565 0.009 . . . . . . 599 ASN H . 19885 1 984 . 1 1 195 195 ASN CA C 13 51.768 0.047 . . . . . . 599 ASN CA . 19885 1 985 . 1 1 195 195 ASN CB C 13 39.114 0.015 . . . . . . 599 ASN CB . 19885 1 986 . 1 1 195 195 ASN N N 15 117.184 0.119 . . . . . . 599 ASN N . 19885 1 987 . 1 1 196 196 GLY H H 1 9.054 0.007 . . . . . . 600 GLY H . 19885 1 988 . 1 1 196 196 GLY N N 15 114.081 0.050 . . . . . . 600 GLY N . 19885 1 989 . 1 1 197 197 SER H H 1 7.855 0.007 . . . . . . 601 SER H . 19885 1 990 . 1 1 197 197 SER CA C 13 58.424 0.060 . . . . . . 601 SER CA . 19885 1 991 . 1 1 197 197 SER CB C 13 60.647 0.060 . . . . . . 601 SER CB . 19885 1 992 . 1 1 197 197 SER N N 15 114.866 0.042 . . . . . . 601 SER N . 19885 1 993 . 1 1 198 198 ASP H H 1 7.257 0.009 . . . . . . 602 ASP H . 19885 1 994 . 1 1 198 198 ASP C C 13 178.539 0.060 . . . . . . 602 ASP CO . 19885 1 995 . 1 1 198 198 ASP CA C 13 55.181 0.060 . . . . . . 602 ASP CA . 19885 1 996 . 1 1 198 198 ASP CB C 13 40.810 0.060 . . . . . . 602 ASP CB . 19885 1 997 . 1 1 198 198 ASP N N 15 118.282 0.051 . . . . . . 602 ASP N . 19885 1 998 . 1 1 199 199 CYS H H 1 7.715 0.007 . . . . . . 603 CYS H . 19885 1 999 . 1 1 199 199 CYS C C 13 175.783 0.060 . . . . . . 603 CYS CO . 19885 1 1000 . 1 1 199 199 CYS CA C 13 60.678 0.017 . . . . . . 603 CYS CA . 19885 1 1001 . 1 1 199 199 CYS CB C 13 28.270 0.067 . . . . . . 603 CYS CB . 19885 1 1002 . 1 1 199 199 CYS N N 15 121.968 0.071 . . . . . . 603 CYS N . 19885 1 1003 . 1 1 200 200 GLY H H 1 8.736 0.006 . . . . . . 604 GLY H . 19885 1 1004 . 1 1 200 200 GLY C C 13 175.076 0.060 . . . . . . 604 GLY CO . 19885 1 1005 . 1 1 200 200 GLY CA C 13 46.862 0.028 . . . . . . 604 GLY CA . 19885 1 1006 . 1 1 200 200 GLY N N 15 109.643 0.037 . . . . . . 604 GLY N . 19885 1 1007 . 1 1 201 201 MET H H 1 6.973 0.014 . . . . . . 605 MET H . 19885 1 1008 . 1 1 201 201 MET C C 13 178.831 0.060 . . . . . . 605 MET CO . 19885 1 1009 . 1 1 201 201 MET CA C 13 54.421 0.072 . . . . . . 605 MET CA . 19885 1 1010 . 1 1 201 201 MET CB C 13 28.885 0.026 . . . . . . 605 MET CB . 19885 1 1011 . 1 1 201 201 MET N N 15 118.381 0.063 . . . . . . 605 MET N . 19885 1 1012 . 1 1 202 202 PHE H H 1 8.265 0.006 . . . . . . 606 PHE H . 19885 1 1013 . 1 1 202 202 PHE C C 13 175.928 0.060 . . . . . . 606 PHE CO . 19885 1 1014 . 1 1 202 202 PHE CA C 13 63.186 0.043 . . . . . . 606 PHE CA . 19885 1 1015 . 1 1 202 202 PHE CB C 13 37.346 0.060 . . . . . . 606 PHE CB . 19885 1 1016 . 1 1 202 202 PHE N N 15 118.962 0.093 . . . . . . 606 PHE N . 19885 1 1017 . 1 1 203 203 ALA H H 1 7.745 0.007 . . . . . . 607 ALA H . 19885 1 1018 . 1 1 203 203 ALA C C 13 179.705 0.060 . . . . . . 607 ALA CO . 19885 1 1019 . 1 1 203 203 ALA CA C 13 55.826 0.034 . . . . . . 607 ALA CA . 19885 1 1020 . 1 1 203 203 ALA CB C 13 15.841 0.039 . . . . . . 607 ALA CB . 19885 1 1021 . 1 1 203 203 ALA N N 15 118.262 0.098 . . . . . . 607 ALA N . 19885 1 1022 . 1 1 204 204 CYS H H 1 7.150 0.009 . . . . . . 608 CYS H . 19885 1 1023 . 1 1 204 204 CYS C C 13 176.344 0.060 . . . . . . 608 CYS CO . 19885 1 1024 . 1 1 204 204 CYS CA C 13 64.555 0.063 . . . . . . 608 CYS CA . 19885 1 1025 . 1 1 204 204 CYS CB C 13 26.489 0.041 . . . . . . 608 CYS CB . 19885 1 1026 . 1 1 204 204 CYS N N 15 111.327 0.051 . . . . . . 608 CYS N . 19885 1 1027 . 1 1 205 205 LYS H H 1 8.114 0.008 . . . . . . 609 LYS H . 19885 1 1028 . 1 1 205 205 LYS C C 13 180.898 0.060 . . . . . . 609 LYS CO . 19885 1 1029 . 1 1 205 205 LYS CA C 13 55.983 0.043 . . . . . . 609 LYS CA . 19885 1 1030 . 1 1 205 205 LYS CB C 13 28.003 0.042 . . . . . . 609 LYS CB . 19885 1 1031 . 1 1 205 205 LYS N N 15 117.546 0.067 . . . . . . 609 LYS N . 19885 1 1032 . 1 1 206 206 TYR H H 1 9.584 0.008 . . . . . . 610 TYR H . 19885 1 1033 . 1 1 206 206 TYR C C 13 177.942 0.060 . . . . . . 610 TYR CO . 19885 1 1034 . 1 1 206 206 TYR CA C 13 58.081 0.064 . . . . . . 610 TYR CA . 19885 1 1035 . 1 1 206 206 TYR CB C 13 36.268 0.012 . . . . . . 610 TYR CB . 19885 1 1036 . 1 1 206 206 TYR N N 15 121.342 0.079 . . . . . . 610 TYR N . 19885 1 1037 . 1 1 207 207 ALA H H 1 7.300 0.008 . . . . . . 611 ALA H . 19885 1 1038 . 1 1 207 207 ALA C C 13 179.296 0.060 . . . . . . 611 ALA CO . 19885 1 1039 . 1 1 207 207 ALA CA C 13 55.284 0.082 . . . . . . 611 ALA CA . 19885 1 1040 . 1 1 207 207 ALA CB C 13 17.360 0.029 . . . . . . 611 ALA CB . 19885 1 1041 . 1 1 207 207 ALA N N 15 118.235 0.067 . . . . . . 611 ALA N . 19885 1 1042 . 1 1 208 208 ASP H H 1 8.285 0.004 . . . . . . 612 ASP H . 19885 1 1043 . 1 1 208 208 ASP C C 13 177.083 0.060 . . . . . . 612 ASP CO . 19885 1 1044 . 1 1 208 208 ASP CA C 13 57.496 0.017 . . . . . . 612 ASP CA . 19885 1 1045 . 1 1 208 208 ASP CB C 13 40.809 0.006 . . . . . . 612 ASP CB . 19885 1 1046 . 1 1 208 208 ASP N N 15 119.051 0.071 . . . . . . 612 ASP N . 19885 1 1047 . 1 1 209 209 CYS H H 1 7.283 0.009 . . . . . . 613 CYS H . 19885 1 1048 . 1 1 209 209 CYS C C 13 177.033 0.060 . . . . . . 613 CYS CO . 19885 1 1049 . 1 1 209 209 CYS CA C 13 64.249 0.041 . . . . . . 613 CYS CA . 19885 1 1050 . 1 1 209 209 CYS CB C 13 26.401 0.036 . . . . . . 613 CYS CB . 19885 1 1051 . 1 1 209 209 CYS N N 15 114.150 0.053 . . . . . . 613 CYS N . 19885 1 1052 . 1 1 210 210 ILE H H 1 8.523 0.008 . . . . . . 614 ILE H . 19885 1 1053 . 1 1 210 210 ILE C C 13 180.531 0.060 . . . . . . 614 ILE CO . 19885 1 1054 . 1 1 210 210 ILE CA C 13 64.188 0.060 . . . . . . 614 ILE CA . 19885 1 1055 . 1 1 210 210 ILE CB C 13 38.287 0.001 . . . . . . 614 ILE CB . 19885 1 1056 . 1 1 210 210 ILE N N 15 119.103 0.077 . . . . . . 614 ILE N . 19885 1 1057 . 1 1 211 211 THR H H 1 8.251 0.008 . . . . . . 615 THR H . 19885 1 1058 . 1 1 211 211 THR C C 13 174.525 0.060 . . . . . . 615 THR CO . 19885 1 1059 . 1 1 211 211 THR CB C 13 67.658 0.003 . . . . . . 615 THR CB . 19885 1 1060 . 1 1 211 211 THR N N 15 108.325 0.089 . . . . . . 615 THR N . 19885 1 1061 . 1 1 212 212 LYS H H 1 7.204 0.009 . . . . . . 616 LYS H . 19885 1 1062 . 1 1 212 212 LYS C C 13 175.509 0.060 . . . . . . 616 LYS CO . 19885 1 1063 . 1 1 212 212 LYS CA C 13 55.419 0.017 . . . . . . 616 LYS CA . 19885 1 1064 . 1 1 212 212 LYS CB C 13 31.971 0.037 . . . . . . 616 LYS CB . 19885 1 1065 . 1 1 212 212 LYS N N 15 118.784 0.101 . . . . . . 616 LYS N . 19885 1 1066 . 1 1 213 213 ASP H H 1 7.982 0.005 . . . . . . 617 ASP H . 19885 1 1067 . 1 1 213 213 ASP C C 13 174.882 0.060 . . . . . . 617 ASP CO . 19885 1 1068 . 1 1 213 213 ASP CA C 13 55.028 0.031 . . . . . . 617 ASP CA . 19885 1 1069 . 1 1 213 213 ASP CB C 13 38.871 0.011 . . . . . . 617 ASP CB . 19885 1 1070 . 1 1 213 213 ASP N N 15 117.696 0.049 . . . . . . 617 ASP N . 19885 1 1071 . 1 1 214 214 ARG H H 1 7.893 0.009 . . . . . . 618 ARG H . 19885 1 1072 . 1 1 214 214 ARG C C 13 173.638 0.060 . . . . . . 618 ARG CO . 19885 1 1073 . 1 1 214 214 ARG CA C 13 51.906 0.074 . . . . . . 618 ARG CA . 19885 1 1074 . 1 1 214 214 ARG CB C 13 30.614 0.006 . . . . . . 618 ARG CB . 19885 1 1075 . 1 1 214 214 ARG N N 15 116.707 0.058 . . . . . . 618 ARG N . 19885 1 1076 . 1 1 216 216 ILE H H 1 8.465 0.007 . . . . . . 620 ILE H . 19885 1 1077 . 1 1 216 216 ILE C C 13 177.018 0.060 . . . . . . 620 ILE CO . 19885 1 1078 . 1 1 216 216 ILE CA C 13 62.112 0.078 . . . . . . 620 ILE CA . 19885 1 1079 . 1 1 216 216 ILE CB C 13 35.731 0.012 . . . . . . 620 ILE CB . 19885 1 1080 . 1 1 216 216 ILE N N 15 121.915 0.051 . . . . . . 620 ILE N . 19885 1 1081 . 1 1 217 217 ASN H H 1 7.952 0.010 . . . . . . 621 ASN H . 19885 1 1082 . 1 1 217 217 ASN CA C 13 52.404 0.060 . . . . . . 621 ASN CA . 19885 1 1083 . 1 1 217 217 ASN CB C 13 38.108 0.005 . . . . . . 621 ASN CB . 19885 1 1084 . 1 1 217 217 ASN N N 15 126.058 0.038 . . . . . . 621 ASN N . 19885 1 1085 . 1 1 218 218 PHE H H 1 6.573 0.011 . . . . . . 622 PHE H . 19885 1 1086 . 1 1 218 218 PHE C C 13 173.442 0.060 . . . . . . 622 PHE CO . 19885 1 1087 . 1 1 218 218 PHE CA C 13 54.399 0.058 . . . . . . 622 PHE CA . 19885 1 1088 . 1 1 218 218 PHE CB C 13 41.066 0.020 . . . . . . 622 PHE CB . 19885 1 1089 . 1 1 218 218 PHE N N 15 114.010 0.056 . . . . . . 622 PHE N . 19885 1 1090 . 1 1 219 219 THR H H 1 11.019 0.021 . . . . . . 623 THR H . 19885 1 1091 . 1 1 219 219 THR CA C 13 59.922 0.046 . . . . . . 623 THR CA . 19885 1 1092 . 1 1 219 219 THR CB C 13 73.255 0.016 . . . . . . 623 THR CB . 19885 1 1093 . 1 1 219 219 THR N N 15 112.666 0.049 . . . . . . 623 THR N . 19885 1 1094 . 1 1 220 220 GLN H H 1 9.841 0.009 . . . . . . 624 GLN H . 19885 1 1095 . 1 1 220 220 GLN C C 13 177.817 0.060 . . . . . . 624 GLN CO . 19885 1 1096 . 1 1 220 220 GLN CA C 13 57.991 0.083 . . . . . . 624 GLN CA . 19885 1 1097 . 1 1 220 220 GLN CB C 13 28.115 0.054 . . . . . . 624 GLN CB . 19885 1 1098 . 1 1 220 220 GLN N N 15 118.693 0.070 . . . . . . 624 GLN N . 19885 1 1099 . 1 1 221 221 GLN H H 1 8.350 0.006 . . . . . . 625 GLN H . 19885 1 1100 . 1 1 221 221 GLN C C 13 177.118 0.060 . . . . . . 625 GLN CO . 19885 1 1101 . 1 1 221 221 GLN CA C 13 57.772 0.015 . . . . . . 625 GLN CA . 19885 1 1102 . 1 1 221 221 GLN CB C 13 27.232 0.058 . . . . . . 625 GLN CB . 19885 1 1103 . 1 1 221 221 GLN N N 15 118.528 0.035 . . . . . . 625 GLN N . 19885 1 1104 . 1 1 222 222 HIS H H 1 7.690 0.010 . . . . . . 626 HIS H . 19885 1 1105 . 1 1 222 222 HIS C C 13 175.195 0.060 . . . . . . 626 HIS CO . 19885 1 1106 . 1 1 222 222 HIS CA C 13 59.023 0.063 . . . . . . 626 HIS CA . 19885 1 1107 . 1 1 222 222 HIS CB C 13 32.018 0.010 . . . . . . 626 HIS CB . 19885 1 1108 . 1 1 222 222 HIS N N 15 116.120 0.049 . . . . . . 626 HIS N . 19885 1 1109 . 1 1 223 223 MET H H 1 7.581 0.008 . . . . . . 627 MET H . 19885 1 1110 . 1 1 223 223 MET C C 13 175.481 0.060 . . . . . . 627 MET CO . 19885 1 1111 . 1 1 223 223 MET CA C 13 58.703 0.052 . . . . . . 627 MET CA . 19885 1 1112 . 1 1 223 223 MET CB C 13 29.282 0.004 . . . . . . 627 MET CB . 19885 1 1113 . 1 1 223 223 MET N N 15 117.619 0.067 . . . . . . 627 MET N . 19885 1 1114 . 1 1 225 225 TYR H H 1 7.455 0.007 . . . . . . 629 TYR H . 19885 1 1115 . 1 1 225 225 TYR C C 13 176.303 0.060 . . . . . . 629 TYR CO . 19885 1 1116 . 1 1 225 225 TYR CA C 13 59.898 0.069 . . . . . . 629 TYR CA . 19885 1 1117 . 1 1 225 225 TYR CB C 13 36.935 0.011 . . . . . . 629 TYR CB . 19885 1 1118 . 1 1 225 225 TYR N N 15 119.231 0.050 . . . . . . 629 TYR N . 19885 1 1119 . 1 1 226 226 PHE H H 1 8.720 0.012 . . . . . . 630 PHE H . 19885 1 1120 . 1 1 226 226 PHE C C 13 179.707 0.060 . . . . . . 630 PHE CO . 19885 1 1121 . 1 1 226 226 PHE CA C 13 57.548 0.055 . . . . . . 630 PHE CA . 19885 1 1122 . 1 1 226 226 PHE N N 15 118.661 0.066 . . . . . . 630 PHE N . 19885 1 1123 . 1 1 227 227 ARG H H 1 8.743 0.010 . . . . . . 631 ARG H . 19885 1 1124 . 1 1 227 227 ARG C C 13 177.119 0.060 . . . . . . 631 ARG CO . 19885 1 1125 . 1 1 227 227 ARG CA C 13 59.879 0.057 . . . . . . 631 ARG CA . 19885 1 1126 . 1 1 227 227 ARG CB C 13 29.774 0.054 . . . . . . 631 ARG CB . 19885 1 1127 . 1 1 227 227 ARG N N 15 121.276 0.074 . . . . . . 631 ARG N . 19885 1 1128 . 1 1 228 228 LYS H H 1 7.027 0.010 . . . . . . 632 LYS H . 19885 1 1129 . 1 1 228 228 LYS C C 13 178.005 0.060 . . . . . . 632 LYS CO . 19885 1 1130 . 1 1 228 228 LYS CB C 13 32.019 0.036 . . . . . . 632 LYS CB . 19885 1 1131 . 1 1 228 228 LYS N N 15 115.472 0.094 . . . . . . 632 LYS N . 19885 1 1132 . 1 1 229 229 ARG H H 1 8.483 0.010 . . . . . . 633 ARG H . 19885 1 1133 . 1 1 229 229 ARG CA C 13 59.110 0.132 . . . . . . 633 ARG CA . 19885 1 1134 . 1 1 229 229 ARG CB C 13 30.377 0.008 . . . . . . 633 ARG CB . 19885 1 1135 . 1 1 229 229 ARG N N 15 116.560 0.053 . . . . . . 633 ARG N . 19885 1 1136 . 1 1 230 230 MET H H 1 8.212 0.007 . . . . . . 634 MET H . 19885 1 1137 . 1 1 230 230 MET CA C 13 57.950 0.079 . . . . . . 634 MET CA . 19885 1 1138 . 1 1 230 230 MET CB C 13 31.937 0.048 . . . . . . 634 MET CB . 19885 1 1139 . 1 1 230 230 MET N N 15 116.933 0.067 . . . . . . 634 MET N . 19885 1 1140 . 1 1 231 231 VAL H H 1 7.401 0.011 . . . . . . 635 VAL H . 19885 1 1141 . 1 1 231 231 VAL HG11 H 1 0.511 0.007 . . . . . . 635 VAL HG1 . 19885 1 1142 . 1 1 231 231 VAL HG12 H 1 0.511 0.007 . . . . . . 635 VAL HG1 . 19885 1 1143 . 1 1 231 231 VAL HG13 H 1 0.511 0.007 . . . . . . 635 VAL HG1 . 19885 1 1144 . 1 1 231 231 VAL HG21 H 1 1.078 0.007 . . . . . . 635 VAL HG2 . 19885 1 1145 . 1 1 231 231 VAL HG22 H 1 1.078 0.007 . . . . . . 635 VAL HG2 . 19885 1 1146 . 1 1 231 231 VAL HG23 H 1 1.078 0.007 . . . . . . 635 VAL HG2 . 19885 1 1147 . 1 1 231 231 VAL C C 13 176.781 0.060 . . . . . . 635 VAL CO . 19885 1 1148 . 1 1 231 231 VAL CA C 13 66.729 0.085 . . . . . . 635 VAL CA . 19885 1 1149 . 1 1 231 231 VAL CB C 13 30.848 0.020 . . . . . . 635 VAL CB . 19885 1 1150 . 1 1 231 231 VAL CG1 C 13 22.182 0.060 . . . . . . 635 VAL CG1 . 19885 1 1151 . 1 1 231 231 VAL CG2 C 13 24.307 0.060 . . . . . . 635 VAL CG2 . 19885 1 1152 . 1 1 231 231 VAL N N 15 117.807 0.068 . . . . . . 635 VAL N . 19885 1 1153 . 1 1 232 232 TRP H H 1 6.945 0.009 . . . . . . 636 TRP H . 19885 1 1154 . 1 1 232 232 TRP HE1 H 1 10.208 0.007 . . . . . . 636 TRP HE1 . 19885 1 1155 . 1 1 232 232 TRP C C 13 177.991 0.060 . . . . . . 636 TRP CO . 19885 1 1156 . 1 1 232 232 TRP CA C 13 63.021 0.038 . . . . . . 636 TRP CA . 19885 1 1157 . 1 1 232 232 TRP CB C 13 28.855 0.061 . . . . . . 636 TRP CB . 19885 1 1158 . 1 1 232 232 TRP N N 15 117.761 0.062 . . . . . . 636 TRP N . 19885 1 1159 . 1 1 232 232 TRP NE1 N 15 131.254 0.060 . . . . . . 636 TRP NE1 . 19885 1 1160 . 1 1 233 233 GLU H H 1 8.942 0.007 . . . . . . 637 GLU H . 19885 1 1161 . 1 1 233 233 GLU C C 13 179.549 0.060 . . . . . . 637 GLU CO . 19885 1 1162 . 1 1 233 233 GLU CA C 13 59.634 0.071 . . . . . . 637 GLU CA . 19885 1 1163 . 1 1 233 233 GLU CB C 13 29.540 0.042 . . . . . . 637 GLU CB . 19885 1 1164 . 1 1 233 233 GLU N N 15 118.312 0.075 . . . . . . 637 GLU N . 19885 1 1165 . 1 1 234 234 ILE H H 1 8.516 0.008 . . . . . . 638 ILE H . 19885 1 1166 . 1 1 234 234 ILE C C 13 178.793 0.060 . . . . . . 638 ILE CO . 19885 1 1167 . 1 1 234 234 ILE CA C 13 65.061 0.061 . . . . . . 638 ILE CA . 19885 1 1168 . 1 1 234 234 ILE CB C 13 36.564 0.039 . . . . . . 638 ILE CB . 19885 1 1169 . 1 1 234 234 ILE N N 15 118.151 0.051 . . . . . . 638 ILE N . 19885 1 1170 . 1 1 235 235 LEU H H 1 8.021 0.006 . . . . . . 639 LEU H . 19885 1 1171 . 1 1 235 235 LEU HD11 H 1 0.577 0.007 . . . . . . 639 LEU HD1 . 19885 1 1172 . 1 1 235 235 LEU HD12 H 1 0.577 0.007 . . . . . . 639 LEU HD1 . 19885 1 1173 . 1 1 235 235 LEU HD13 H 1 0.577 0.007 . . . . . . 639 LEU HD1 . 19885 1 1174 . 1 1 235 235 LEU HD21 H 1 0.498 0.007 . . . . . . 639 LEU HD2 . 19885 1 1175 . 1 1 235 235 LEU HD22 H 1 0.498 0.007 . . . . . . 639 LEU HD2 . 19885 1 1176 . 1 1 235 235 LEU HD23 H 1 0.498 0.007 . . . . . . 639 LEU HD2 . 19885 1 1177 . 1 1 235 235 LEU CA C 13 57.489 0.039 . . . . . . 639 LEU CA . 19885 1 1178 . 1 1 235 235 LEU CB C 13 40.751 0.026 . . . . . . 639 LEU CB . 19885 1 1179 . 1 1 235 235 LEU CD1 C 13 25.065 0.060 . . . . . . 639 LEU CD1 . 19885 1 1180 . 1 1 235 235 LEU CD2 C 13 22.821 0.060 . . . . . . 639 LEU CD2 . 19885 1 1181 . 1 1 235 235 LEU N N 15 119.857 0.098 . . . . . . 639 LEU N . 19885 1 1182 . 1 1 236 236 HIS H H 1 7.758 0.009 . . . . . . 640 HIS H . 19885 1 1183 . 1 1 236 236 HIS CA C 13 55.633 0.033 . . . . . . 640 HIS CA . 19885 1 1184 . 1 1 236 236 HIS CB C 13 26.845 0.075 . . . . . . 640 HIS CB . 19885 1 1185 . 1 1 236 236 HIS N N 15 112.218 0.089 . . . . . . 640 HIS N . 19885 1 1186 . 1 1 237 237 ARG H H 1 7.879 0.007 . . . . . . 641 ARG H . 19885 1 1187 . 1 1 237 237 ARG C C 13 174.773 0.060 . . . . . . 641 ARG CO . 19885 1 1188 . 1 1 237 237 ARG CA C 13 56.955 0.087 . . . . . . 641 ARG CA . 19885 1 1189 . 1 1 237 237 ARG CB C 13 25.944 0.051 . . . . . . 641 ARG CB . 19885 1 1190 . 1 1 237 237 ARG N N 15 122.564 0.053 . . . . . . 641 ARG N . 19885 1 1191 . 1 1 238 238 LYS H H 1 8.220 0.009 . . . . . . 642 LYS H . 19885 1 1192 . 1 1 238 238 LYS C C 13 172.886 0.060 . . . . . . 642 LYS CO . 19885 1 1193 . 1 1 238 238 LYS CA C 13 54.648 0.048 . . . . . . 642 LYS CA . 19885 1 1194 . 1 1 238 238 LYS CB C 13 34.915 0.008 . . . . . . 642 LYS CB . 19885 1 1195 . 1 1 238 238 LYS N N 15 121.148 0.096 . . . . . . 642 LYS N . 19885 1 1196 . 1 1 239 239 LEU H H 1 8.136 0.009 . . . . . . 643 LEU H . 19885 1 1197 . 1 1 239 239 LEU HD11 H 1 0.395 0.007 . . . . . . 643 LEU HD1 . 19885 1 1198 . 1 1 239 239 LEU HD12 H 1 0.395 0.007 . . . . . . 643 LEU HD1 . 19885 1 1199 . 1 1 239 239 LEU HD13 H 1 0.395 0.007 . . . . . . 643 LEU HD1 . 19885 1 1200 . 1 1 239 239 LEU HD21 H 1 0.572 0.007 . . . . . . 643 LEU HD2 . 19885 1 1201 . 1 1 239 239 LEU HD22 H 1 0.572 0.007 . . . . . . 643 LEU HD2 . 19885 1 1202 . 1 1 239 239 LEU HD23 H 1 0.572 0.007 . . . . . . 643 LEU HD2 . 19885 1 1203 . 1 1 239 239 LEU C C 13 177.594 0.060 . . . . . . 643 LEU CO . 19885 1 1204 . 1 1 239 239 LEU CA C 13 53.678 0.073 . . . . . . 643 LEU CA . 19885 1 1205 . 1 1 239 239 LEU CB C 13 41.237 0.033 . . . . . . 643 LEU CB . 19885 1 1206 . 1 1 239 239 LEU CD1 C 13 27.306 0.060 . . . . . . 643 LEU CD1 . 19885 1 1207 . 1 1 239 239 LEU CD2 C 13 24.450 0.060 . . . . . . 643 LEU CD2 . 19885 1 1208 . 1 1 239 239 LEU N N 15 122.205 0.055 . . . . . . 643 LEU N . 19885 1 1209 . 1 1 240 240 LEU H H 1 8.863 0.005 . . . . . . 644 LEU H . 19885 1 1210 . 1 1 240 240 LEU C C 13 182.082 0.060 . . . . . . 644 LEU CO . 19885 1 1211 . 1 1 240 240 LEU CA C 13 55.222 0.066 . . . . . . 644 LEU CA . 19885 1 1212 . 1 1 240 240 LEU CB C 13 41.615 0.052 . . . . . . 644 LEU CB . 19885 1 1213 . 1 1 240 240 LEU N N 15 130.114 0.074 . . . . . . 644 LEU N . 19885 1 stop_ save_