data_18741 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18741 _Entry.Title ; The backbone 1H, 13C, 15N resonance assignment of FGFR1 kinase domain in its free form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-26 _Entry.Accession_date 2012-09-26 _Entry.Last_release_date 2013-02-12 _Entry.Original_release_date 2013-02-12 _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 Navratna Vajpai . . . 18741 2 Alexander Breeze . L. . 18741 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'AstraZeneca, UK' . 18741 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18741 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 814 18741 '15N chemical shifts' 254 18741 '1H chemical shifts' 254 18741 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 . . 2013-02-12 2012-09-26 original author . 18741 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18741 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23325512 _Citation.Full_citation . _Citation.Title 'NMR backbone assignments of the tyrosine kinase domain of human fibroblast growth factor receptor 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2013 _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 Navratna Vajpai . . . 18741 1 2 Anne-Kathrin Schott . . . 18741 1 3 Martin Vogtherr . . . 18741 1 4 Alexander Breeze . L. . 18741 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID backbone 18741 1 FGFR1 18741 1 human 18741 1 oncology 18741 1 'tyrosine kinase' 18741 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18741 _Assembly.ID 1 _Assembly.Name 'Fibroblast Growth Factor Recoptor' _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 'FGFR1 kinase' 1 $FGFR1 A . yes native no no . . . 18741 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FGFR1 _Entity.Sf_category entity _Entity.Sf_framecode FGFR1 _Entity.Entry_ID 18741 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FGFR1 _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 ; MHHHHHHGSTSLYKKAGSSE NLYFQGAGVSEYELPEDPRW ELPRDRLVLGKPLGEGAFGQ VVLAEAIGLDKDKPNRVTKV AVKMLKSDATEKDLSDLISE MEMMKMIGKHKNIINLLGAC TQDGPLYVIVEYASKGNLRE YLQARRPPGLEYSYNPSHNP EEQLSSKDLVSCAYQVARGM EYLASKKCIHRALAARNVLV TEDNVMKIADFGLARDIHHI DYYKKTTNGRLPVKWMAPEA LFDRIYTHQSDVWSFGVLLW EIFTLGGSPYPGVPVEELFK LLKEGHRMDKPSNCTNELYM MMRDCWHAVPSQRPTFKQLV EDLDRIVALTSNQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq MHHHHHHGSTSLYKKAGSSENLYFQ-G455-E765 _Entity.Polymer_author_seq_details ; Sequence used here for human FGFR1 kinase domain (residues 455-765), contains a mutated catalytic Asp (D623A) plus two additional mutations designed to improve stability (C488A and C584S) ; _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 334 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'D623A, C488A, C584S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 38202 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Mass given is for non-isotopically labelled FGFR1 kinase' _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 PDB 1AGW . "Crystal Structure Of The Tyrosine Kinase Domain Of Fibroblast Growth Factor Receptor 1 In Complex With Su4984 Inhibitor" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 2 no PDB 1FGI . "Crystal Structure Of The Tyrosine Kinase Domain Of Fibroblast Growth Factor Receptor 1 In Complex With Su5402 Inhibitor" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 3 no PDB 1FGK . "Crystal Structure Of The Tyrosine Kinase Domain Of Fibroblast Growth Factor Receptor 1" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 4 no PDB 2FGI . "Crystal Structure Of The Tyrosine Kinase Domain Of Fgf Receptor 1 In Complex With Inhibitor Pd173074" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 5 no PDB 3C4F . "Fgfr Tyrosine Kinase Domain In Complex With 3-(3- Methoxybenzyl)-7-Azaindole" . . . . . 90.42 302 99.34 99.34 0.00e+00 . . . . 18741 1 6 no PDB 3RHX . "Crystal Structure Of The Catalytic Domain Of Fgfr1 Kinase In Complex With Arq 069" . . . . . 91.32 306 99.67 99.67 0.00e+00 . . . . 18741 1 7 no PDB 3WJ6 . "Human Fgfr1 Kinase In Complex With Ch5183284" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 8 no PDB 4F63 . "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Compound 1" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 9 no PDB 4F64 . "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Compound 6" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 10 no PDB 4F65 . "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Compound 8" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 11 no PDB 4NK9 . "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Pyrazolaminopyrimidine 1" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 12 no PDB 4NKA . "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Pyrazolaminopyrimidine 2" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 13 no PDB 4NKS . "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Pyrazolaminopyrimidine 3" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 14 no PDB 4UWB . "Fibroblast Growth Factor Receptor 1 Kinase In Complex With Jk-p5" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 15 no PDB 4UWC . "Fibroblast Growth Factor Receptor 1 Kinase In Complex With Jk-p3" . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 16 no PDB 4UWY . "Fgfr1 Apo Structure" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 17 no PDB 4UWZ . "Native Fgfr1 With An Inhibitor" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 18 no PDB 4UX0 . "Fgfr1 Mutant With An Inhibitor" . . . . . 92.22 310 99.35 99.68 0.00e+00 . . . . 18741 1 19 no PDB 4V01 . "Fgfr1 In Complex With Ponatinib (co-crystallisation)." . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 20 no PDB 4V04 . "Fgfr1 In Complex With Ponatinib." . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 21 no PDB 4V05 . "Fgfr1 In Complex With Azd4547." . . . . . 92.51 309 99.68 99.68 0.00e+00 . . . . 18741 1 22 no PDB 4WUN . "Structure Of Fgfr1 In Complex With Azd4547 (n-{3-[2-(3,5- Dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5- Dimethylpiper" . . . . . 92.22 311 99.35 99.68 0.00e+00 . . . . 18741 1 23 no PDB 4ZSA . "Crystal Structure Of Fgfr1 Kinase Domain In Complex With 7n" . . . . . 92.22 308 99.68 99.68 0.00e+00 . . . . 18741 1 24 no PDB 5A46 . "Fgfr1 In Complex With Dovitinib" . . . . . 92.22 386 99.03 99.03 0.00e+00 . . . . 18741 1 25 no PDB 5A4C . "Fgfr1 Ligand Complex" . . . . . 91.92 307 99.35 99.35 0.00e+00 . . . . 18741 1 26 no PDB 5AM6 . "Native Fgfr1 With An Inhibitor" . . . . . 92.22 310 99.68 99.68 0.00e+00 . . . . 18741 1 27 no PDB 5AM7 . "Fgfr1 Mutant With An Inhibitor" . . . . . 92.22 310 99.35 99.68 0.00e+00 . . . . 18741 1 28 no DBJ BAA02059 . "FGF receptor-1 [Rattus norvegicus]" . . . . . 92.22 822 98.38 98.70 0.00e+00 . . . . 18741 1 29 no DBJ BAC25899 . "unnamed protein product [Mus musculus]" . . . . . 92.22 733 99.03 99.03 0.00e+00 . . . . 18741 1 30 no DBJ BAC28662 . "unnamed protein product [Mus musculus]" . . . . . 87.13 348 98.97 98.97 0.00e+00 . . . . 18741 1 31 no DBJ BAD92156 . "fibroblast growth factor receptor 1 isoform 1 precursor variant [Homo sapiens]" . . . . . 92.22 814 99.03 99.03 0.00e+00 . . . . 18741 1 32 no DBJ BAD96438 . "fibroblast growth factor receptor 1 isoform 2 precursor variant [Homo sapiens]" . . . . . 92.22 820 98.38 98.70 0.00e+00 . . . . 18741 1 33 no EMBL CAA36101 . "unnamed protein product [Homo sapiens]" . . . . . 92.22 822 99.03 99.03 0.00e+00 . . . . 18741 1 34 no EMBL CAA36175 . "precursor polypeptide (AA -21 to 799) [Mus musculus]" . . . . . 92.22 820 99.03 99.03 0.00e+00 . . . . 18741 1 35 no EMBL CAA37015 . "unnamed protein product [Homo sapiens]" . . . . . 92.22 822 99.03 99.03 0.00e+00 . . . . 18741 1 36 no EMBL CAA40401 . "Fibroblast Growth Factor Receptor, 2-Ig Domain+2 AA insert [Homo sapiens]" . . . . . 92.22 733 99.03 99.03 0.00e+00 . . . . 18741 1 37 no EMBL CAA40402 . "Fibroblast Growth Factor Receptor, 3 Ig-Domain Form [Homo sapiens]" . . . . . 92.22 820 99.03 99.03 0.00e+00 . . . . 18741 1 38 no GB AAA35835 . "FGF receptor-1 precursor [Homo sapiens]" . . . . . 92.22 820 99.03 99.03 0.00e+00 . . . . 18741 1 39 no GB AAA35836 . "fibroblast growth factor receptor (FGFr) transmembrane form [Homo sapiens]" . . . . . 92.22 733 99.03 99.03 0.00e+00 . . . . 18741 1 40 no GB AAA35837 . "fibroblast growth factor receptor (FGFr) transmembrane form [Homo sapiens]" . . . . . 92.22 731 99.03 99.03 0.00e+00 . . . . 18741 1 41 no GB AAA35840 . "fibroblast growth factor receptor [Homo sapiens]" . . . . . 92.22 820 99.03 99.03 0.00e+00 . . . . 18741 1 42 no GB AAA35958 . "heparin-binding growth factor receptor [Homo sapiens]" . . . . . 92.22 822 99.03 99.03 0.00e+00 . . . . 18741 1 43 no PRF 1908208A . "fibroblast growth factor receptor 1" . . . . . 92.22 822 98.38 98.70 0.00e+00 . . . . 18741 1 44 no PRF 1909124A . "fibroblast growth factor receptor:ISOTYPE=1 beta" . . . . . 92.22 729 99.03 99.03 0.00e+00 . . . . 18741 1 45 no PRF 2103285A . "fibroblast growth factor receptor 1" . . . . . 92.22 822 98.70 99.03 0.00e+00 . . . . 18741 1 46 no REF NP_001073377 . "fibroblast growth factor receptor 1 isoform 2 precursor [Mus musculus]" . . . . . 92.22 820 99.03 99.03 0.00e+00 . . . . 18741 1 47 no REF NP_001073378 . "fibroblast growth factor receptor 1 isoform 3 precursor [Mus musculus]" . . . . . 92.22 733 99.03 99.03 0.00e+00 . . . . 18741 1 48 no REF NP_001103677 . "fibroblast growth factor receptor 1 precursor [Bos taurus]" . . . . . 92.22 820 98.38 99.03 0.00e+00 . . . . 18741 1 49 no REF NP_001127472 . "fibroblast growth factor receptor 1 precursor [Pongo abelii]" . . . . . 92.22 820 98.70 99.03 0.00e+00 . . . . 18741 1 50 no REF NP_001167534 . "fibroblast growth factor receptor 1 isoform 10 precursor [Homo sapiens]" . . . . . 92.22 820 99.03 99.03 0.00e+00 . . . . 18741 1 51 no SP P11362 . "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; AltName: Full=Basic fibroblast growth factor receptor 1; Short" . . . . . 92.22 822 99.03 99.03 0.00e+00 . . . . 18741 1 52 no SP P16092 . "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" . . . . . 92.22 822 99.03 99.03 0.00e+00 . . . . 18741 1 53 no SP Q04589 . "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" . . . . . 92.22 822 98.38 98.70 0.00e+00 . . . . 18741 1 54 no TPG DAA14429 . "TPA: fibroblast growth factor receptor 1 [Bos taurus]" . . . . . 92.22 820 98.38 99.03 0.00e+00 . . . . 18741 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Members of the fibroblast growth factor receptor family (FGFR1 to 4) are key mediators of both developmental and disease-associated angiogenesis.' 18741 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 1 432 MET . 18741 1 2 433 HIS . 18741 1 3 434 HIS . 18741 1 4 435 HIS . 18741 1 5 436 HIS . 18741 1 6 437 HIS . 18741 1 7 438 HIS . 18741 1 8 439 GLY . 18741 1 9 440 SER . 18741 1 10 441 THR . 18741 1 11 442 SER . 18741 1 12 443 LEU . 18741 1 13 444 TYR . 18741 1 14 445 LYS . 18741 1 15 446 LYS . 18741 1 16 447 ALA . 18741 1 17 448 GLY . 18741 1 18 449 SER . 18741 1 19 450 SER . 18741 1 20 451 GLU . 18741 1 21 452 ASN . 18741 1 22 453 LEU . 18741 1 23 454 TYR . 18741 1 24 455 PHE . 18741 1 25 456 GLN . 18741 1 26 457 GLY . 18741 1 27 458 ALA . 18741 1 28 459 GLY . 18741 1 29 460 VAL . 18741 1 30 461 SER . 18741 1 31 462 GLU . 18741 1 32 463 TYR . 18741 1 33 464 GLU . 18741 1 34 465 LEU . 18741 1 35 466 PRO . 18741 1 36 467 GLU . 18741 1 37 468 ASP . 18741 1 38 469 PRO . 18741 1 39 470 ARG . 18741 1 40 471 TRP . 18741 1 41 472 GLU . 18741 1 42 473 LEU . 18741 1 43 474 PRO . 18741 1 44 475 ARG . 18741 1 45 476 ASP . 18741 1 46 477 ARG . 18741 1 47 478 LEU . 18741 1 48 479 VAL . 18741 1 49 480 LEU . 18741 1 50 481 GLY . 18741 1 51 482 LYS . 18741 1 52 483 PRO . 18741 1 53 484 LEU . 18741 1 54 485 GLY . 18741 1 55 486 GLU . 18741 1 56 487 GLY . 18741 1 57 488 ALA . 18741 1 58 489 PHE . 18741 1 59 490 GLY . 18741 1 60 491 GLN . 18741 1 61 492 VAL . 18741 1 62 493 VAL . 18741 1 63 494 LEU . 18741 1 64 495 ALA . 18741 1 65 496 GLU . 18741 1 66 497 ALA . 18741 1 67 498 ILE . 18741 1 68 499 GLY . 18741 1 69 500 LEU . 18741 1 70 501 ASP . 18741 1 71 502 LYS . 18741 1 72 503 ASP . 18741 1 73 504 LYS . 18741 1 74 505 PRO . 18741 1 75 506 ASN . 18741 1 76 507 ARG . 18741 1 77 508 VAL . 18741 1 78 509 THR . 18741 1 79 510 LYS . 18741 1 80 511 VAL . 18741 1 81 512 ALA . 18741 1 82 513 VAL . 18741 1 83 514 LYS . 18741 1 84 515 MET . 18741 1 85 516 LEU . 18741 1 86 517 LYS . 18741 1 87 518 SER . 18741 1 88 519 ASP . 18741 1 89 520 ALA . 18741 1 90 521 THR . 18741 1 91 522 GLU . 18741 1 92 523 LYS . 18741 1 93 524 ASP . 18741 1 94 525 LEU . 18741 1 95 526 SER . 18741 1 96 527 ASP . 18741 1 97 528 LEU . 18741 1 98 529 ILE . 18741 1 99 530 SER . 18741 1 100 531 GLU . 18741 1 101 532 MET . 18741 1 102 533 GLU . 18741 1 103 534 MET . 18741 1 104 535 MET . 18741 1 105 536 LYS . 18741 1 106 537 MET . 18741 1 107 538 ILE . 18741 1 108 539 GLY . 18741 1 109 540 LYS . 18741 1 110 541 HIS . 18741 1 111 542 LYS . 18741 1 112 543 ASN . 18741 1 113 544 ILE . 18741 1 114 545 ILE . 18741 1 115 546 ASN . 18741 1 116 547 LEU . 18741 1 117 548 LEU . 18741 1 118 549 GLY . 18741 1 119 550 ALA . 18741 1 120 551 CYS . 18741 1 121 552 THR . 18741 1 122 553 GLN . 18741 1 123 554 ASP . 18741 1 124 555 GLY . 18741 1 125 556 PRO . 18741 1 126 557 LEU . 18741 1 127 558 TYR . 18741 1 128 559 VAL . 18741 1 129 560 ILE . 18741 1 130 561 VAL . 18741 1 131 562 GLU . 18741 1 132 563 TYR . 18741 1 133 564 ALA . 18741 1 134 565 SER . 18741 1 135 566 LYS . 18741 1 136 567 GLY . 18741 1 137 568 ASN . 18741 1 138 569 LEU . 18741 1 139 570 ARG . 18741 1 140 571 GLU . 18741 1 141 572 TYR . 18741 1 142 573 LEU . 18741 1 143 574 GLN . 18741 1 144 575 ALA . 18741 1 145 576 ARG . 18741 1 146 577 ARG . 18741 1 147 578 PRO . 18741 1 148 579 PRO . 18741 1 149 580 GLY . 18741 1 150 581 LEU . 18741 1 151 582 GLU . 18741 1 152 583 TYR . 18741 1 153 584 SER . 18741 1 154 585 TYR . 18741 1 155 586 ASN . 18741 1 156 587 PRO . 18741 1 157 588 SER . 18741 1 158 589 HIS . 18741 1 159 590 ASN . 18741 1 160 591 PRO . 18741 1 161 592 GLU . 18741 1 162 593 GLU . 18741 1 163 594 GLN . 18741 1 164 595 LEU . 18741 1 165 596 SER . 18741 1 166 597 SER . 18741 1 167 598 LYS . 18741 1 168 599 ASP . 18741 1 169 600 LEU . 18741 1 170 601 VAL . 18741 1 171 602 SER . 18741 1 172 603 CYS . 18741 1 173 604 ALA . 18741 1 174 605 TYR . 18741 1 175 606 GLN . 18741 1 176 607 VAL . 18741 1 177 608 ALA . 18741 1 178 609 ARG . 18741 1 179 610 GLY . 18741 1 180 611 MET . 18741 1 181 612 GLU . 18741 1 182 613 TYR . 18741 1 183 614 LEU . 18741 1 184 615 ALA . 18741 1 185 616 SER . 18741 1 186 617 LYS . 18741 1 187 618 LYS . 18741 1 188 619 CYS . 18741 1 189 620 ILE . 18741 1 190 621 HIS . 18741 1 191 622 ARG . 18741 1 192 623 ALA . 18741 1 193 624 LEU . 18741 1 194 625 ALA . 18741 1 195 626 ALA . 18741 1 196 627 ARG . 18741 1 197 628 ASN . 18741 1 198 629 VAL . 18741 1 199 630 LEU . 18741 1 200 631 VAL . 18741 1 201 632 THR . 18741 1 202 633 GLU . 18741 1 203 634 ASP . 18741 1 204 635 ASN . 18741 1 205 636 VAL . 18741 1 206 637 MET . 18741 1 207 638 LYS . 18741 1 208 639 ILE . 18741 1 209 640 ALA . 18741 1 210 641 ASP . 18741 1 211 642 PHE . 18741 1 212 643 GLY . 18741 1 213 644 LEU . 18741 1 214 645 ALA . 18741 1 215 646 ARG . 18741 1 216 647 ASP . 18741 1 217 648 ILE . 18741 1 218 649 HIS . 18741 1 219 650 HIS . 18741 1 220 651 ILE . 18741 1 221 652 ASP . 18741 1 222 653 TYR . 18741 1 223 654 TYR . 18741 1 224 655 LYS . 18741 1 225 656 LYS . 18741 1 226 657 THR . 18741 1 227 658 THR . 18741 1 228 659 ASN . 18741 1 229 660 GLY . 18741 1 230 661 ARG . 18741 1 231 662 LEU . 18741 1 232 663 PRO . 18741 1 233 664 VAL . 18741 1 234 665 LYS . 18741 1 235 666 TRP . 18741 1 236 667 MET . 18741 1 237 668 ALA . 18741 1 238 669 PRO . 18741 1 239 670 GLU . 18741 1 240 671 ALA . 18741 1 241 672 LEU . 18741 1 242 673 PHE . 18741 1 243 674 ASP . 18741 1 244 675 ARG . 18741 1 245 676 ILE . 18741 1 246 677 TYR . 18741 1 247 678 THR . 18741 1 248 679 HIS . 18741 1 249 680 GLN . 18741 1 250 681 SER . 18741 1 251 682 ASP . 18741 1 252 683 VAL . 18741 1 253 684 TRP . 18741 1 254 685 SER . 18741 1 255 686 PHE . 18741 1 256 687 GLY . 18741 1 257 688 VAL . 18741 1 258 689 LEU . 18741 1 259 690 LEU . 18741 1 260 691 TRP . 18741 1 261 692 GLU . 18741 1 262 693 ILE . 18741 1 263 694 PHE . 18741 1 264 695 THR . 18741 1 265 696 LEU . 18741 1 266 697 GLY . 18741 1 267 698 GLY . 18741 1 268 699 SER . 18741 1 269 700 PRO . 18741 1 270 701 TYR . 18741 1 271 702 PRO . 18741 1 272 703 GLY . 18741 1 273 704 VAL . 18741 1 274 705 PRO . 18741 1 275 706 VAL . 18741 1 276 707 GLU . 18741 1 277 708 GLU . 18741 1 278 709 LEU . 18741 1 279 710 PHE . 18741 1 280 711 LYS . 18741 1 281 712 LEU . 18741 1 282 713 LEU . 18741 1 283 714 LYS . 18741 1 284 715 GLU . 18741 1 285 716 GLY . 18741 1 286 717 HIS . 18741 1 287 718 ARG . 18741 1 288 719 MET . 18741 1 289 720 ASP . 18741 1 290 721 LYS . 18741 1 291 722 PRO . 18741 1 292 723 SER . 18741 1 293 724 ASN . 18741 1 294 725 CYS . 18741 1 295 726 THR . 18741 1 296 727 ASN . 18741 1 297 728 GLU . 18741 1 298 729 LEU . 18741 1 299 730 TYR . 18741 1 300 731 MET . 18741 1 301 732 MET . 18741 1 302 733 MET . 18741 1 303 734 ARG . 18741 1 304 735 ASP . 18741 1 305 736 CYS . 18741 1 306 737 TRP . 18741 1 307 738 HIS . 18741 1 308 739 ALA . 18741 1 309 740 VAL . 18741 1 310 741 PRO . 18741 1 311 742 SER . 18741 1 312 743 GLN . 18741 1 313 744 ARG . 18741 1 314 745 PRO . 18741 1 315 746 THR . 18741 1 316 747 PHE . 18741 1 317 748 LYS . 18741 1 318 749 GLN . 18741 1 319 750 LEU . 18741 1 320 751 VAL . 18741 1 321 752 GLU . 18741 1 322 753 ASP . 18741 1 323 754 LEU . 18741 1 324 755 ASP . 18741 1 325 756 ARG . 18741 1 326 757 ILE . 18741 1 327 758 VAL . 18741 1 328 759 ALA . 18741 1 329 760 LEU . 18741 1 330 761 THR . 18741 1 331 762 SER . 18741 1 332 763 ASN . 18741 1 333 764 GLN . 18741 1 334 765 GLU . 18741 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 18741 1 . HIS 2 2 18741 1 . HIS 3 3 18741 1 . HIS 4 4 18741 1 . HIS 5 5 18741 1 . HIS 6 6 18741 1 . HIS 7 7 18741 1 . GLY 8 8 18741 1 . SER 9 9 18741 1 . THR 10 10 18741 1 . SER 11 11 18741 1 . LEU 12 12 18741 1 . TYR 13 13 18741 1 . LYS 14 14 18741 1 . LYS 15 15 18741 1 . ALA 16 16 18741 1 . GLY 17 17 18741 1 . SER 18 18 18741 1 . SER 19 19 18741 1 . GLU 20 20 18741 1 . ASN 21 21 18741 1 . LEU 22 22 18741 1 . TYR 23 23 18741 1 . PHE 24 24 18741 1 . GLN 25 25 18741 1 . GLY 26 26 18741 1 . ALA 27 27 18741 1 . GLY 28 28 18741 1 . VAL 29 29 18741 1 . SER 30 30 18741 1 . GLU 31 31 18741 1 . TYR 32 32 18741 1 . GLU 33 33 18741 1 . LEU 34 34 18741 1 . PRO 35 35 18741 1 . GLU 36 36 18741 1 . ASP 37 37 18741 1 . PRO 38 38 18741 1 . ARG 39 39 18741 1 . TRP 40 40 18741 1 . GLU 41 41 18741 1 . LEU 42 42 18741 1 . PRO 43 43 18741 1 . ARG 44 44 18741 1 . ASP 45 45 18741 1 . ARG 46 46 18741 1 . LEU 47 47 18741 1 . VAL 48 48 18741 1 . LEU 49 49 18741 1 . GLY 50 50 18741 1 . LYS 51 51 18741 1 . PRO 52 52 18741 1 . LEU 53 53 18741 1 . GLY 54 54 18741 1 . GLU 55 55 18741 1 . GLY 56 56 18741 1 . ALA 57 57 18741 1 . PHE 58 58 18741 1 . GLY 59 59 18741 1 . GLN 60 60 18741 1 . VAL 61 61 18741 1 . VAL 62 62 18741 1 . LEU 63 63 18741 1 . ALA 64 64 18741 1 . GLU 65 65 18741 1 . ALA 66 66 18741 1 . ILE 67 67 18741 1 . GLY 68 68 18741 1 . LEU 69 69 18741 1 . ASP 70 70 18741 1 . LYS 71 71 18741 1 . ASP 72 72 18741 1 . LYS 73 73 18741 1 . PRO 74 74 18741 1 . ASN 75 75 18741 1 . ARG 76 76 18741 1 . VAL 77 77 18741 1 . THR 78 78 18741 1 . LYS 79 79 18741 1 . VAL 80 80 18741 1 . ALA 81 81 18741 1 . VAL 82 82 18741 1 . LYS 83 83 18741 1 . MET 84 84 18741 1 . LEU 85 85 18741 1 . LYS 86 86 18741 1 . SER 87 87 18741 1 . ASP 88 88 18741 1 . ALA 89 89 18741 1 . THR 90 90 18741 1 . GLU 91 91 18741 1 . LYS 92 92 18741 1 . ASP 93 93 18741 1 . LEU 94 94 18741 1 . SER 95 95 18741 1 . ASP 96 96 18741 1 . LEU 97 97 18741 1 . ILE 98 98 18741 1 . SER 99 99 18741 1 . GLU 100 100 18741 1 . MET 101 101 18741 1 . GLU 102 102 18741 1 . MET 103 103 18741 1 . MET 104 104 18741 1 . LYS 105 105 18741 1 . MET 106 106 18741 1 . ILE 107 107 18741 1 . GLY 108 108 18741 1 . LYS 109 109 18741 1 . HIS 110 110 18741 1 . LYS 111 111 18741 1 . ASN 112 112 18741 1 . ILE 113 113 18741 1 . ILE 114 114 18741 1 . ASN 115 115 18741 1 . LEU 116 116 18741 1 . LEU 117 117 18741 1 . GLY 118 118 18741 1 . ALA 119 119 18741 1 . CYS 120 120 18741 1 . THR 121 121 18741 1 . GLN 122 122 18741 1 . ASP 123 123 18741 1 . GLY 124 124 18741 1 . PRO 125 125 18741 1 . LEU 126 126 18741 1 . TYR 127 127 18741 1 . VAL 128 128 18741 1 . ILE 129 129 18741 1 . VAL 130 130 18741 1 . GLU 131 131 18741 1 . TYR 132 132 18741 1 . ALA 133 133 18741 1 . SER 134 134 18741 1 . LYS 135 135 18741 1 . GLY 136 136 18741 1 . ASN 137 137 18741 1 . LEU 138 138 18741 1 . ARG 139 139 18741 1 . GLU 140 140 18741 1 . TYR 141 141 18741 1 . LEU 142 142 18741 1 . GLN 143 143 18741 1 . ALA 144 144 18741 1 . ARG 145 145 18741 1 . ARG 146 146 18741 1 . PRO 147 147 18741 1 . PRO 148 148 18741 1 . GLY 149 149 18741 1 . LEU 150 150 18741 1 . GLU 151 151 18741 1 . TYR 152 152 18741 1 . SER 153 153 18741 1 . TYR 154 154 18741 1 . ASN 155 155 18741 1 . PRO 156 156 18741 1 . SER 157 157 18741 1 . HIS 158 158 18741 1 . ASN 159 159 18741 1 . PRO 160 160 18741 1 . GLU 161 161 18741 1 . GLU 162 162 18741 1 . GLN 163 163 18741 1 . LEU 164 164 18741 1 . SER 165 165 18741 1 . SER 166 166 18741 1 . LYS 167 167 18741 1 . ASP 168 168 18741 1 . LEU 169 169 18741 1 . VAL 170 170 18741 1 . SER 171 171 18741 1 . CYS 172 172 18741 1 . ALA 173 173 18741 1 . TYR 174 174 18741 1 . GLN 175 175 18741 1 . VAL 176 176 18741 1 . ALA 177 177 18741 1 . ARG 178 178 18741 1 . GLY 179 179 18741 1 . MET 180 180 18741 1 . GLU 181 181 18741 1 . TYR 182 182 18741 1 . LEU 183 183 18741 1 . ALA 184 184 18741 1 . SER 185 185 18741 1 . LYS 186 186 18741 1 . LYS 187 187 18741 1 . CYS 188 188 18741 1 . ILE 189 189 18741 1 . HIS 190 190 18741 1 . ARG 191 191 18741 1 . ALA 192 192 18741 1 . LEU 193 193 18741 1 . ALA 194 194 18741 1 . ALA 195 195 18741 1 . ARG 196 196 18741 1 . ASN 197 197 18741 1 . VAL 198 198 18741 1 . LEU 199 199 18741 1 . VAL 200 200 18741 1 . THR 201 201 18741 1 . GLU 202 202 18741 1 . ASP 203 203 18741 1 . ASN 204 204 18741 1 . VAL 205 205 18741 1 . MET 206 206 18741 1 . LYS 207 207 18741 1 . ILE 208 208 18741 1 . ALA 209 209 18741 1 . ASP 210 210 18741 1 . PHE 211 211 18741 1 . GLY 212 212 18741 1 . LEU 213 213 18741 1 . ALA 214 214 18741 1 . ARG 215 215 18741 1 . ASP 216 216 18741 1 . ILE 217 217 18741 1 . HIS 218 218 18741 1 . HIS 219 219 18741 1 . ILE 220 220 18741 1 . ASP 221 221 18741 1 . TYR 222 222 18741 1 . TYR 223 223 18741 1 . LYS 224 224 18741 1 . LYS 225 225 18741 1 . THR 226 226 18741 1 . THR 227 227 18741 1 . ASN 228 228 18741 1 . GLY 229 229 18741 1 . ARG 230 230 18741 1 . LEU 231 231 18741 1 . PRO 232 232 18741 1 . VAL 233 233 18741 1 . LYS 234 234 18741 1 . TRP 235 235 18741 1 . MET 236 236 18741 1 . ALA 237 237 18741 1 . PRO 238 238 18741 1 . GLU 239 239 18741 1 . ALA 240 240 18741 1 . LEU 241 241 18741 1 . PHE 242 242 18741 1 . ASP 243 243 18741 1 . ARG 244 244 18741 1 . ILE 245 245 18741 1 . TYR 246 246 18741 1 . THR 247 247 18741 1 . HIS 248 248 18741 1 . GLN 249 249 18741 1 . SER 250 250 18741 1 . ASP 251 251 18741 1 . VAL 252 252 18741 1 . TRP 253 253 18741 1 . SER 254 254 18741 1 . PHE 255 255 18741 1 . GLY 256 256 18741 1 . VAL 257 257 18741 1 . LEU 258 258 18741 1 . LEU 259 259 18741 1 . TRP 260 260 18741 1 . GLU 261 261 18741 1 . ILE 262 262 18741 1 . PHE 263 263 18741 1 . THR 264 264 18741 1 . LEU 265 265 18741 1 . GLY 266 266 18741 1 . GLY 267 267 18741 1 . SER 268 268 18741 1 . PRO 269 269 18741 1 . TYR 270 270 18741 1 . PRO 271 271 18741 1 . GLY 272 272 18741 1 . VAL 273 273 18741 1 . PRO 274 274 18741 1 . VAL 275 275 18741 1 . GLU 276 276 18741 1 . GLU 277 277 18741 1 . LEU 278 278 18741 1 . PHE 279 279 18741 1 . LYS 280 280 18741 1 . LEU 281 281 18741 1 . LEU 282 282 18741 1 . LYS 283 283 18741 1 . GLU 284 284 18741 1 . GLY 285 285 18741 1 . HIS 286 286 18741 1 . ARG 287 287 18741 1 . MET 288 288 18741 1 . ASP 289 289 18741 1 . LYS 290 290 18741 1 . PRO 291 291 18741 1 . SER 292 292 18741 1 . ASN 293 293 18741 1 . CYS 294 294 18741 1 . THR 295 295 18741 1 . ASN 296 296 18741 1 . GLU 297 297 18741 1 . LEU 298 298 18741 1 . TYR 299 299 18741 1 . MET 300 300 18741 1 . MET 301 301 18741 1 . MET 302 302 18741 1 . ARG 303 303 18741 1 . ASP 304 304 18741 1 . CYS 305 305 18741 1 . TRP 306 306 18741 1 . HIS 307 307 18741 1 . ALA 308 308 18741 1 . VAL 309 309 18741 1 . PRO 310 310 18741 1 . SER 311 311 18741 1 . GLN 312 312 18741 1 . ARG 313 313 18741 1 . PRO 314 314 18741 1 . THR 315 315 18741 1 . PHE 316 316 18741 1 . LYS 317 317 18741 1 . GLN 318 318 18741 1 . LEU 319 319 18741 1 . VAL 320 320 18741 1 . GLU 321 321 18741 1 . ASP 322 322 18741 1 . LEU 323 323 18741 1 . ASP 324 324 18741 1 . ARG 325 325 18741 1 . ILE 326 326 18741 1 . VAL 327 327 18741 1 . ALA 328 328 18741 1 . LEU 329 329 18741 1 . THR 330 330 18741 1 . SER 331 331 18741 1 . ASN 332 332 18741 1 . GLN 333 333 18741 1 . GLU 334 334 18741 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 18741 _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 $FGFR1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18741 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 18741 _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 $FGFR1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST17 . . . . . . 18741 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18741 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 '[U-13C; U-15N; U-2H]' . . 1 $FGFR1 . . 0.45 . . mM 0.05 . . . 18741 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18741 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% 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 FGFR1 '[U-15N, U-50% 2H]' . . 1 $FGFR1 . . 0.45 . . mM 0.05 . . . 18741 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18741 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 [U-15N]-Leu . . 1 $FGFR1 . . 0.05 . . mM . . . . 18741 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 3 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 3 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18741 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 [U-15N]-Thr . . 1 $FGFR1 . . 0.05 . . mM . . . . 18741 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 4 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 4 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 4 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 4 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18741 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 [U-15N]-Val . . 1 $FGFR1 . . 0.05 . . mM . . . . 18741 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 5 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 5 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 5 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 5 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 18741 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 [U-15N]-Tyr . . 1 $FGFR1 . . 0.05 . . mM . . . . 18741 6 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 6 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 6 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 6 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 6 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 18741 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 [U-15N]-Met . . 1 $FGFR1 . . 0.05 . . mM . . . . 18741 7 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 7 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 7 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 7 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 7 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 18741 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 [U-15N]-Phe . . 1 $FGFR1 . . 0.05 . . mM . . . . 18741 8 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 8 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 8 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 8 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 8 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 18741 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FGFR1 [U-15N]-Ile . . 1 $FGFR1 . . 0.05 . . mM . . . . 18741 9 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18741 9 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18741 9 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18741 9 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18741 9 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18741 9 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 18741 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'All the samples were run under the same conditions' 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 'ionic strength' 50 . mM 18741 1 pH 7.0 . pH 18741 1 pressure 1 . atm 18741 1 temperature 298 . K 18741 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18741 _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' . . 18741 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18741 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18741 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details 'Linux platform' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller, Kurt Wuthrich' . . 18741 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18741 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18741 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details 'Linux platform' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18741 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18741 3 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 18741 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Triple Gradient probe, equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18741 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18741 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18741 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18741 _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 . 800 'Triple Gradient probe, equipped with Cryoprobe' . . 18741 1 2 spectrometer_2 Bruker Avance . 800 . . . 18741 1 3 spectrometer_3 Bruker Avance . 800 . . . 18741 1 4 spectrometer_4 Bruker Avance . 800 . . . 18741 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 18741 _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-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 2 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 8 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 9 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 10 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 11 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 12 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 13 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 14 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18741 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 18741 _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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 18741 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 18741 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 18741 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 18741 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.03 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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-TROSY' . . . 18741 1 2 '3D HN(CA)CB' . . . 18741 1 3 '3D HNCA' . . . 18741 1 4 '3D HNCO' . . . 18741 1 5 '3D HN(CO)CA' . . . 18741 1 6 '3D HN(CA)CO' . . . 18741 1 7 '3D HN(COCA)CB' . . . 18741 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 8 8 GLY CA C 13 44.351 0.3 . 1 . . . . 439 GLY CA . 18741 1 2 . 1 1 9 9 SER H H 1 7.795 0.020 . 1 . . . . 440 SER H . 18741 1 3 . 1 1 9 9 SER CA C 13 59.057 0.3 . 1 . . . . 440 SER CA . 18741 1 4 . 1 1 9 9 SER CB C 13 63.391 0.3 . 1 . . . . 440 SER CB . 18741 1 5 . 1 1 9 9 SER N N 15 121.661 0.3 . 1 . . . . 440 SER N . 18741 1 6 . 1 1 11 11 SER C C 13 174.566 0.3 . 1 . . . . 442 SER C . 18741 1 7 . 1 1 11 11 SER CB C 13 62.574 0.3 . 1 . . . . 442 SER CB . 18741 1 8 . 1 1 12 12 LEU H H 1 7.945 0.020 . 1 . . . . 443 LEU H . 18741 1 9 . 1 1 12 12 LEU C C 13 176.603 0.3 . 1 . . . . 443 LEU C . 18741 1 10 . 1 1 12 12 LEU CA C 13 54.596 0.3 . 1 . . . . 443 LEU CA . 18741 1 11 . 1 1 12 12 LEU CB C 13 40.602 0.3 . 1 . . . . 443 LEU CB . 18741 1 12 . 1 1 12 12 LEU N N 15 122.377 0.3 . 1 . . . . 443 LEU N . 18741 1 13 . 1 1 13 13 TYR H H 1 7.835 0.020 . 1 . . . . 444 TYR H . 18741 1 14 . 1 1 13 13 TYR C C 13 175.014 0.3 . 1 . . . . 444 TYR C . 18741 1 15 . 1 1 13 13 TYR CA C 13 56.806 0.3 . 1 . . . . 444 TYR CA . 18741 1 16 . 1 1 13 13 TYR CB C 13 37.366 0.3 . 1 . . . . 444 TYR CB . 18741 1 17 . 1 1 13 13 TYR N N 15 119.635 0.3 . 1 . . . . 444 TYR N . 18741 1 18 . 1 1 14 14 LYS H H 1 7.901 0.020 . 1 . . . . 445 LYS H . 18741 1 19 . 1 1 14 14 LYS C C 13 175.628 0.3 . 1 . . . . 445 LYS C . 18741 1 20 . 1 1 14 14 LYS CA C 13 55.095 0.3 . 1 . . . . 445 LYS CA . 18741 1 21 . 1 1 14 14 LYS CB C 13 31.810 0.3 . 1 . . . . 445 LYS CB . 18741 1 22 . 1 1 14 14 LYS N N 15 123.116 0.3 . 1 . . . . 445 LYS N . 18741 1 23 . 1 1 15 15 LYS H H 1 8.113 0.020 . 1 . . . . 446 LYS H . 18741 1 24 . 1 1 15 15 LYS C C 13 175.882 0.3 . 1 . . . . 446 LYS C . 18741 1 25 . 1 1 15 15 LYS CA C 13 55.335 0.3 . 1 . . . . 446 LYS CA . 18741 1 26 . 1 1 15 15 LYS CB C 13 31.707 0.3 . 1 . . . . 446 LYS CB . 18741 1 27 . 1 1 15 15 LYS N N 15 123.327 0.3 . 1 . . . . 446 LYS N . 18741 1 28 . 1 1 16 16 ALA H H 1 8.260 0.020 . 1 . . . . 447 ALA H . 18741 1 29 . 1 1 16 16 ALA C C 13 177.831 0.3 . 1 . . . . 447 ALA C . 18741 1 30 . 1 1 16 16 ALA CA C 13 51.824 0.3 . 1 . . . . 447 ALA CA . 18741 1 31 . 1 1 16 16 ALA CB C 13 17.812 0.3 . 1 . . . . 447 ALA CB . 18741 1 32 . 1 1 16 16 ALA N N 15 126.280 0.3 . 1 . . . . 447 ALA N . 18741 1 33 . 1 1 22 22 LEU C C 13 176.630 0.3 . 1 . . . . 453 LEU C . 18741 1 34 . 1 1 22 22 LEU CA C 13 54.555 0.3 . 1 . . . . 453 LEU CA . 18741 1 35 . 1 1 22 22 LEU CB C 13 40.672 0.3 . 1 . . . . 453 LEU CB . 18741 1 36 . 1 1 23 23 TYR H H 1 7.901 0.020 . 1 . . . . 454 TYR H . 18741 1 37 . 1 1 23 23 TYR C C 13 175.077 0.3 . 1 . . . . 454 TYR C . 18741 1 38 . 1 1 23 23 TYR CA C 13 57.076 0.3 . 1 . . . . 454 TYR CA . 18741 1 39 . 1 1 23 23 TYR CB C 13 37.296 0.3 . 1 . . . . 454 TYR CB . 18741 1 40 . 1 1 23 23 TYR N N 15 119.740 0.3 . 1 . . . . 454 TYR N . 18741 1 41 . 1 1 24 24 PHE H H 1 7.901 0.020 . 1 . . . . 455 PHE H . 18741 1 42 . 1 1 24 24 PHE C C 13 174.938 0.3 . 1 . . . . 455 PHE C . 18741 1 43 . 1 1 24 24 PHE CA C 13 56.836 0.3 . 1 . . . . 455 PHE CA . 18741 1 44 . 1 1 24 24 PHE CB C 13 38.140 0.3 . 1 . . . . 455 PHE CB . 18741 1 45 . 1 1 24 24 PHE N N 15 121.217 0.3 . 1 . . . . 455 PHE N . 18741 1 46 . 1 1 25 25 GLN H H 1 8.113 0.020 . 1 . . . . 456 GLN H . 18741 1 47 . 1 1 25 25 GLN C C 13 175.607 0.3 . 1 . . . . 456 GLN C . 18741 1 48 . 1 1 25 25 GLN CA C 13 55.065 0.3 . 1 . . . . 456 GLN CA . 18741 1 49 . 1 1 25 25 GLN CB C 13 28.293 0.3 . 1 . . . . 456 GLN CB . 18741 1 50 . 1 1 25 25 GLN N N 15 122.272 0.3 . 1 . . . . 456 GLN N . 18741 1 51 . 1 1 26 26 GLY H H 1 7.776 0.020 . 1 . . . . 457 GLY H . 18741 1 52 . 1 1 26 26 GLY C C 13 173.234 0.3 . 1 . . . . 457 GLY C . 18741 1 53 . 1 1 26 26 GLY CA C 13 44.351 0.3 . 1 . . . . 457 GLY CA . 18741 1 54 . 1 1 26 26 GLY N N 15 109.825 0.3 . 1 . . . . 457 GLY N . 18741 1 55 . 1 1 27 27 ALA H H 1 8.069 0.020 . 1 . . . . 458 ALA H . 18741 1 56 . 1 1 27 27 ALA C C 13 177.810 0.3 . 1 . . . . 458 ALA C . 18741 1 57 . 1 1 27 27 ALA CA C 13 51.713 0.3 . 1 . . . . 458 ALA CA . 18741 1 58 . 1 1 27 27 ALA CB C 13 18.164 0.3 . 1 . . . . 458 ALA CB . 18741 1 59 . 1 1 27 27 ALA N N 15 123.854 0.3 . 1 . . . . 458 ALA N . 18741 1 60 . 1 1 28 28 GLY H H 1 8.282 0.020 . 1 . . . . 459 GLY H . 18741 1 61 . 1 1 28 28 GLY C C 13 173.785 0.3 . 1 . . . . 459 GLY C . 18741 1 62 . 1 1 28 28 GLY CA C 13 44.471 0.3 . 1 . . . . 459 GLY CA . 18741 1 63 . 1 1 28 28 GLY N N 15 108.454 0.3 . 1 . . . . 459 GLY N . 18741 1 64 . 1 1 29 29 VAL H H 1 7.827 0.020 . 1 . . . . 460 VAL H . 18741 1 65 . 1 1 29 29 VAL C C 13 175.887 0.3 . 1 . . . . 460 VAL C . 18741 1 66 . 1 1 29 29 VAL CA C 13 61.548 0.3 . 1 . . . . 460 VAL CA . 18741 1 67 . 1 1 29 29 VAL CB C 13 31.177 0.3 . 1 . . . . 460 VAL CB . 18741 1 68 . 1 1 29 29 VAL N N 15 118.686 0.3 . 1 . . . . 460 VAL N . 18741 1 69 . 1 1 30 30 SER H H 1 8.218 0.020 . 1 . . . . 461 SER H . 18741 1 70 . 1 1 30 30 SER C C 13 174.051 0.3 . 1 . . . . 461 SER C . 18741 1 71 . 1 1 30 30 SER CA C 13 57.766 0.3 . 1 . . . . 461 SER CA . 18741 1 72 . 1 1 30 30 SER CB C 13 62.617 0.3 . 1 . . . . 461 SER CB . 18741 1 73 . 1 1 30 30 SER N N 15 118.509 0.3 . 1 . . . . 461 SER N . 18741 1 74 . 1 1 31 31 GLU H H 1 8.187 0.020 . 1 . . . . 462 GLU H . 18741 1 75 . 1 1 31 31 GLU C C 13 175.183 0.3 . 1 . . . . 462 GLU C . 18741 1 76 . 1 1 31 31 GLU CA C 13 55.816 0.3 . 1 . . . . 462 GLU CA . 18741 1 77 . 1 1 31 31 GLU CB C 13 28.926 0.3 . 1 . . . . 462 GLU CB . 18741 1 78 . 1 1 31 31 GLU N N 15 122.166 0.3 . 1 . . . . 462 GLU N . 18741 1 79 . 1 1 32 32 TYR H H 1 7.717 0.020 . 1 . . . . 463 TYR H . 18741 1 80 . 1 1 32 32 TYR C C 13 174.505 0.3 . 1 . . . . 463 TYR C . 18741 1 81 . 1 1 32 32 TYR CA C 13 56.566 0.3 . 1 . . . . 463 TYR CA . 18741 1 82 . 1 1 32 32 TYR CB C 13 37.718 0.3 . 1 . . . . 463 TYR CB . 18741 1 83 . 1 1 32 32 TYR N N 15 119.951 0.3 . 1 . . . . 463 TYR N . 18741 1 84 . 1 1 33 33 GLU H H 1 8.077 0.020 . 1 . . . . 464 GLU H . 18741 1 85 . 1 1 33 33 GLU C C 13 174.802 0.3 . 1 . . . . 464 GLU C . 18741 1 86 . 1 1 33 33 GLU CA C 13 54.855 0.3 . 1 . . . . 464 GLU CA . 18741 1 87 . 1 1 33 33 GLU CB C 13 29.559 0.3 . 1 . . . . 464 GLU CB . 18741 1 88 . 1 1 33 33 GLU N N 15 122.905 0.3 . 1 . . . . 464 GLU N . 18741 1 89 . 1 1 34 34 LEU H H 1 8.355 0.020 . 1 . . . . 465 LEU H . 18741 1 90 . 1 1 34 34 LEU C C 13 174.124 0.3 . 1 . . . . 465 LEU C . 18741 1 91 . 1 1 34 34 LEU CA C 13 51.674 0.3 . 1 . . . . 465 LEU CA . 18741 1 92 . 1 1 34 34 LEU CB C 13 40.672 0.3 . 1 . . . . 465 LEU CB . 18741 1 93 . 1 1 34 34 LEU N N 15 125.753 0.3 . 1 . . . . 465 LEU N . 18741 1 94 . 1 1 35 35 PRO C C 13 175.763 0.3 . 1 . . . . 466 PRO C . 18741 1 95 . 1 1 35 35 PRO CA C 13 61.518 0.3 . 1 . . . . 466 PRO CA . 18741 1 96 . 1 1 35 35 PRO CB C 13 30.544 0.3 . 1 . . . . 466 PRO CB . 18741 1 97 . 1 1 36 36 GLU H H 1 8.355 0.020 . 1 . . . . 467 GLU H . 18741 1 98 . 1 1 36 36 GLU C C 13 176.073 0.3 . 1 . . . . 467 GLU C . 18741 1 99 . 1 1 36 36 GLU CA C 13 55.636 0.3 . 1 . . . . 467 GLU CA . 18741 1 100 . 1 1 36 36 GLU CB C 13 29.488 0.3 . 1 . . . . 467 GLU CB . 18741 1 101 . 1 1 36 36 GLU N N 15 121.850 0.3 . 1 . . . . 467 GLU N . 18741 1 102 . 1 1 37 37 ASP H H 1 8.540 0.020 . 1 . . . . 468 ASP H . 18741 1 103 . 1 1 37 37 ASP C C 13 175.543 0.3 . 1 . . . . 468 ASP C . 18741 1 104 . 1 1 37 37 ASP CA C 13 50.114 0.3 . 1 . . . . 468 ASP CA . 18741 1 105 . 1 1 37 37 ASP CB C 13 40.250 0.3 . 1 . . . . 468 ASP CB . 18741 1 106 . 1 1 37 37 ASP N N 15 122.708 0.3 . 1 . . . . 468 ASP N . 18741 1 107 . 1 1 38 38 PRO C C 13 177.290 0.3 . 1 . . . . 469 PRO C . 18741 1 108 . 1 1 38 38 PRO CA C 13 63.739 0.3 . 1 . . . . 469 PRO CA . 18741 1 109 . 1 1 38 38 PRO CB C 13 31.036 0.3 . 1 . . . . 469 PRO CB . 18741 1 110 . 1 1 39 39 ARG H H 1 7.901 0.020 . 1 . . . . 470 ARG H . 18741 1 111 . 1 1 39 39 ARG C C 13 176.774 0.3 . 1 . . . . 470 ARG C . 18741 1 112 . 1 1 39 39 ARG CA C 13 57.106 0.3 . 1 . . . . 470 ARG CA . 18741 1 113 . 1 1 39 39 ARG CB C 13 28.363 0.3 . 1 . . . . 470 ARG CB . 18741 1 114 . 1 1 39 39 ARG N N 15 117.314 0.3 . 1 . . . . 470 ARG N . 18741 1 115 . 1 1 40 40 TRP H H 1 7.088 0.020 . 1 . . . . 471 TRP H . 18741 1 116 . 1 1 40 40 TRP C C 13 174.835 0.3 . 1 . . . . 471 TRP C . 18741 1 117 . 1 1 40 40 TRP CA C 13 55.606 0.3 . 1 . . . . 471 TRP CA . 18741 1 118 . 1 1 40 40 TRP CB C 13 31.739 0.3 . 1 . . . . 471 TRP CB . 18741 1 119 . 1 1 40 40 TRP N N 15 115.030 0.3 . 1 . . . . 471 TRP N . 18741 1 120 . 1 1 41 41 GLU H H 1 7.130 0.020 . 1 . . . . 472 GLU H . 18741 1 121 . 1 1 41 41 GLU C C 13 175.598 0.3 . 1 . . . . 472 GLU C . 18741 1 122 . 1 1 41 41 GLU CA C 13 55.816 0.3 . 1 . . . . 472 GLU CA . 18741 1 123 . 1 1 41 41 GLU CB C 13 28.293 0.3 . 1 . . . . 472 GLU CB . 18741 1 124 . 1 1 41 41 GLU N N 15 121.738 0.3 . 1 . . . . 472 GLU N . 18741 1 125 . 1 1 42 42 LEU H H 1 8.854 0.020 . 1 . . . . 473 LEU H . 18741 1 126 . 1 1 42 42 LEU C C 13 174.166 0.3 . 1 . . . . 473 LEU C . 18741 1 127 . 1 1 42 42 LEU CA C 13 50.534 0.3 . 1 . . . . 473 LEU CA . 18741 1 128 . 1 1 42 42 LEU CB C 13 42.923 0.3 . 1 . . . . 473 LEU CB . 18741 1 129 . 1 1 42 42 LEU N N 15 133.028 0.3 . 1 . . . . 473 LEU N . 18741 1 130 . 1 1 43 43 PRO C C 13 177.682 0.3 . 1 . . . . 474 PRO C . 18741 1 131 . 1 1 43 43 PRO CA C 13 62.328 0.3 . 1 . . . . 474 PRO CA . 18741 1 132 . 1 1 43 43 PRO CB C 13 30.895 0.3 . 1 . . . . 474 PRO CB . 18741 1 133 . 1 1 44 44 ARG H H 1 8.575 0.020 . 1 . . . . 475 ARG H . 18741 1 134 . 1 1 44 44 ARG C C 13 177.662 0.3 . 1 . . . . 475 ARG C . 18741 1 135 . 1 1 44 44 ARG CA C 13 58.607 0.3 . 1 . . . . 475 ARG CA . 18741 1 136 . 1 1 44 44 ARG CB C 13 28.433 0.3 . 1 . . . . 475 ARG CB . 18741 1 137 . 1 1 44 44 ARG N N 15 123.960 0.3 . 1 . . . . 475 ARG N . 18741 1 138 . 1 1 45 45 ASP H H 1 8.249 0.020 . 1 . . . . 476 ASP H . 18741 1 139 . 1 1 45 45 ASP C C 13 176.772 0.3 . 1 . . . . 476 ASP C . 18741 1 140 . 1 1 45 45 ASP CA C 13 53.835 0.3 . 1 . . . . 476 ASP CA . 18741 1 141 . 1 1 45 45 ASP CB C 13 38.210 0.3 . 1 . . . . 476 ASP CB . 18741 1 142 . 1 1 45 45 ASP N N 15 114.718 0.3 . 1 . . . . 476 ASP N . 18741 1 143 . 1 1 46 46 ARG H H 1 7.538 0.020 . 1 . . . . 477 ARG H . 18741 1 144 . 1 1 46 46 ARG C C 13 173.107 0.3 . 1 . . . . 477 ARG C . 18741 1 145 . 1 1 46 46 ARG CA C 13 54.825 0.3 . 1 . . . . 477 ARG CA . 18741 1 146 . 1 1 46 46 ARG CB C 13 28.222 0.3 . 1 . . . . 477 ARG CB . 18741 1 147 . 1 1 46 46 ARG N N 15 118.318 0.3 . 1 . . . . 477 ARG N . 18741 1 148 . 1 1 47 47 LEU H H 1 7.197 0.020 . 1 . . . . 478 LEU H . 18741 1 149 . 1 1 47 47 LEU C C 13 175.035 0.3 . 1 . . . . 478 LEU C . 18741 1 150 . 1 1 47 47 LEU CA C 13 52.604 0.3 . 1 . . . . 478 LEU CA . 18741 1 151 . 1 1 47 47 LEU CB C 13 44.048 0.3 . 1 . . . . 478 LEU CB . 18741 1 152 . 1 1 47 47 LEU N N 15 120.162 0.3 . 1 . . . . 478 LEU N . 18741 1 153 . 1 1 48 48 VAL H H 1 8.773 0.020 . 1 . . . . 479 VAL H . 18741 1 154 . 1 1 48 48 VAL C C 13 176.751 0.3 . 1 . . . . 479 VAL C . 18741 1 155 . 1 1 48 48 VAL CA C 13 60.587 0.3 . 1 . . . . 479 VAL CA . 18741 1 156 . 1 1 48 48 VAL CB C 13 31.388 0.3 . 1 . . . . 479 VAL CB . 18741 1 157 . 1 1 48 48 VAL N N 15 125.964 0.3 . 1 . . . . 479 VAL N . 18741 1 158 . 1 1 49 49 LEU H H 1 8.788 0.020 . 1 . . . . 480 LEU H . 18741 1 159 . 1 1 49 49 LEU C C 13 176.603 0.3 . 1 . . . . 480 LEU C . 18741 1 160 . 1 1 49 49 LEU CA C 13 56.086 0.3 . 1 . . . . 480 LEU CA . 18741 1 161 . 1 1 49 49 LEU CB C 13 40.531 0.3 . 1 . . . . 480 LEU CB . 18741 1 162 . 1 1 49 49 LEU N N 15 130.077 0.3 . 1 . . . . 480 LEU N . 18741 1 163 . 1 1 50 50 GLY H H 1 8.583 0.020 . 1 . . . . 481 GLY H . 18741 1 164 . 1 1 50 50 GLY C C 13 172.895 0.3 . 1 . . . . 481 GLY C . 18741 1 165 . 1 1 50 50 GLY CA C 13 43.601 0.3 . 1 . . . . 481 GLY CA . 18741 1 166 . 1 1 50 50 GLY N N 15 113.939 0.3 . 1 . . . . 481 GLY N . 18741 1 167 . 1 1 51 51 LYS H H 1 7.952 0.020 . 1 . . . . 482 LYS H . 18741 1 168 . 1 1 51 51 LYS C C 13 173.743 0.3 . 1 . . . . 482 LYS C . 18741 1 169 . 1 1 51 51 LYS CA C 13 53.805 0.3 . 1 . . . . 482 LYS CA . 18741 1 170 . 1 1 51 51 LYS CB C 13 31.106 0.3 . 1 . . . . 482 LYS CB . 18741 1 171 . 1 1 51 51 LYS N N 15 124.382 0.3 . 1 . . . . 482 LYS N . 18741 1 172 . 1 1 52 52 PRO C C 13 176.651 0.3 . 1 . . . . 483 PRO C . 18741 1 173 . 1 1 52 52 PRO CA C 13 62.898 0.3 . 1 . . . . 483 PRO CA . 18741 1 174 . 1 1 52 52 PRO CB C 13 30.684 0.3 . 1 . . . . 483 PRO CB . 18741 1 175 . 1 1 53 53 LEU H H 1 9.057 0.020 . 1 . . . . 484 LEU H . 18741 1 176 . 1 1 53 53 LEU C C 13 177.281 0.3 . 1 . . . . 484 LEU C . 18741 1 177 . 1 1 53 53 LEU CA C 13 53.835 0.3 . 1 . . . . 484 LEU CA . 18741 1 178 . 1 1 53 53 LEU CB C 13 42.220 0.3 . 1 . . . . 484 LEU CB . 18741 1 179 . 1 1 53 53 LEU N N 15 123.506 0.3 . 1 . . . . 484 LEU N . 18741 1 180 . 1 1 54 54 GLY H H 1 7.769 0.020 . 1 . . . . 485 GLY H . 18741 1 181 . 1 1 54 54 GLY C C 13 171.815 0.3 . 1 . . . . 485 GLY C . 18741 1 182 . 1 1 54 54 GLY CA C 13 44.501 0.3 . 1 . . . . 485 GLY CA . 18741 1 183 . 1 1 54 54 GLY N N 15 107.294 0.3 . 1 . . . . 485 GLY N . 18741 1 184 . 1 1 55 55 GLU H H 1 8.304 0.020 . 1 . . . . 486 GLU H . 18741 1 185 . 1 1 55 55 GLU C C 13 175.628 0.3 . 1 . . . . 486 GLU C . 18741 1 186 . 1 1 55 55 GLU CA C 13 55.275 0.3 . 1 . . . . 486 GLU CA . 18741 1 187 . 1 1 55 55 GLU CB C 13 30.614 0.3 . 1 . . . . 486 GLU CB . 18741 1 188 . 1 1 55 55 GLU N N 15 119.529 0.3 . 1 . . . . 486 GLU N . 18741 1 189 . 1 1 56 56 GLY H H 1 8.135 0.020 . 1 . . . . 487 GLY H . 18741 1 190 . 1 1 56 56 GLY C C 13 173.425 0.3 . 1 . . . . 487 GLY C . 18741 1 191 . 1 1 56 56 GLY CA C 13 43.511 0.3 . 1 . . . . 487 GLY CA . 18741 1 192 . 1 1 56 56 GLY N N 15 111.091 0.3 . 1 . . . . 487 GLY N . 18741 1 193 . 1 1 57 57 ALA C C 13 177.868 0.3 . 1 . . . . 488 ALA C . 18741 1 194 . 1 1 57 57 ALA CA C 13 53.565 0.3 . 1 . . . . 488 ALA CA . 18741 1 195 . 1 1 57 57 ALA CB C 13 17.109 0.3 . 1 . . . . 488 ALA CB . 18741 1 196 . 1 1 58 58 PHE H H 1 7.806 0.020 . 1 . . . . 489 PHE H . 18741 1 197 . 1 1 58 58 PHE C C 13 174.844 0.3 . 1 . . . . 489 PHE C . 18741 1 198 . 1 1 58 58 PHE CA C 13 55.816 0.3 . 1 . . . . 489 PHE CA . 18741 1 199 . 1 1 58 58 PHE CB C 13 38.210 0.3 . 1 . . . . 489 PHE CB . 18741 1 200 . 1 1 58 58 PHE N N 15 113.159 0.3 . 1 . . . . 489 PHE N . 18741 1 201 . 1 1 59 59 GLY H H 1 7.301 0.020 . 1 . . . . 490 GLY H . 18741 1 202 . 1 1 59 59 GLY C C 13 171.455 0.3 . 1 . . . . 490 GLY C . 18741 1 203 . 1 1 59 59 GLY CA C 13 44.321 0.3 . 1 . . . . 490 GLY CA . 18741 1 204 . 1 1 59 59 GLY N N 15 108.240 0.3 . 1 . . . . 490 GLY N . 18741 1 205 . 1 1 60 60 GLN H H 1 8.539 0.020 . 1 . . . . 491 GLN H . 18741 1 206 . 1 1 60 60 GLN C C 13 173.107 0.3 . 1 . . . . 491 GLN C . 18741 1 207 . 1 1 60 60 GLN CA C 13 53.865 0.3 . 1 . . . . 491 GLN CA . 18741 1 208 . 1 1 60 60 GLN CB C 13 30.051 0.3 . 1 . . . . 491 GLN CB . 18741 1 209 . 1 1 60 60 GLN N N 15 119.108 0.3 . 1 . . . . 491 GLN N . 18741 1 210 . 1 1 61 61 VAL H H 1 8.239 0.020 . 1 . . . . 492 VAL H . 18741 1 211 . 1 1 61 61 VAL C C 13 175.543 0.3 . 1 . . . . 492 VAL C . 18741 1 212 . 1 1 61 61 VAL CA C 13 59.657 0.3 . 1 . . . . 492 VAL CA . 18741 1 213 . 1 1 61 61 VAL CB C 13 32.372 0.3 . 1 . . . . 492 VAL CB . 18741 1 214 . 1 1 61 61 VAL N N 15 122.117 0.3 . 1 . . . . 492 VAL N . 18741 1 215 . 1 1 62 62 VAL H H 1 9.086 0.020 . 1 . . . . 493 VAL H . 18741 1 216 . 1 1 62 62 VAL C C 13 173.764 0.3 . 1 . . . . 493 VAL C . 18741 1 217 . 1 1 62 62 VAL CA C 13 59.297 0.3 . 1 . . . . 493 VAL CA . 18741 1 218 . 1 1 62 62 VAL CB C 13 34.060 0.3 . 1 . . . . 493 VAL CB . 18741 1 219 . 1 1 62 62 VAL N N 15 126.092 0.3 . 1 . . . . 493 VAL N . 18741 1 220 . 1 1 63 63 LEU H H 1 8.289 0.020 . 1 . . . . 494 LEU H . 18741 1 221 . 1 1 63 63 LEU C C 13 174.844 0.3 . 1 . . . . 494 LEU C . 18741 1 222 . 1 1 63 63 LEU CA C 13 54.045 0.3 . 1 . . . . 494 LEU CA . 18741 1 223 . 1 1 63 63 LEU CB C 13 41.165 0.3 . 1 . . . . 494 LEU CB . 18741 1 224 . 1 1 63 63 LEU N N 15 127.440 0.3 . 1 . . . . 494 LEU N . 18741 1 225 . 1 1 64 64 ALA H H 1 8.642 0.020 . 1 . . . . 495 ALA H . 18741 1 226 . 1 1 64 64 ALA C C 13 174.802 0.3 . 1 . . . . 495 ALA C . 18741 1 227 . 1 1 64 64 ALA CA C 13 49.543 0.3 . 1 . . . . 495 ALA CA . 18741 1 228 . 1 1 64 64 ALA CB C 13 24.002 0.3 . 1 . . . . 495 ALA CB . 18741 1 229 . 1 1 64 64 ALA N N 15 124.358 0.3 . 1 . . . . 495 ALA N . 18741 1 230 . 1 1 65 65 GLU H H 1 7.929 0.020 . 1 . . . . 496 GLU H . 18741 1 231 . 1 1 65 65 GLU C C 13 174.505 0.3 . 1 . . . . 496 GLU C . 18741 1 232 . 1 1 65 65 GLU CA C 13 54.075 0.3 . 1 . . . . 496 GLU CA . 18741 1 233 . 1 1 65 65 GLU CB C 13 31.106 0.3 . 1 . . . . 496 GLU CB . 18741 1 234 . 1 1 65 65 GLU N N 15 117.455 0.3 . 1 . . . . 496 GLU N . 18741 1 235 . 1 1 66 66 ALA H H 1 8.971 0.020 . 1 . . . . 497 ALA H . 18741 1 236 . 1 1 66 66 ALA C C 13 176.094 0.3 . 1 . . . . 497 ALA C . 18741 1 237 . 1 1 66 66 ALA CA C 13 48.823 0.3 . 1 . . . . 497 ALA CA . 18741 1 238 . 1 1 66 66 ALA CB C 13 20.696 0.3 . 1 . . . . 497 ALA CB . 18741 1 239 . 1 1 66 66 ALA N N 15 125.331 0.3 . 1 . . . . 497 ALA N . 18741 1 240 . 1 1 67 67 ILE H H 1 8.744 0.020 . 1 . . . . 498 ILE H . 18741 1 241 . 1 1 67 67 ILE C C 13 176.135 0.3 . 1 . . . . 498 ILE C . 18741 1 242 . 1 1 67 67 ILE CA C 13 59.687 0.3 . 1 . . . . 498 ILE CA . 18741 1 243 . 1 1 67 67 ILE CB C 13 38.843 0.3 . 1 . . . . 498 ILE CB . 18741 1 244 . 1 1 67 67 ILE N N 15 125.014 0.3 . 1 . . . . 498 ILE N . 18741 1 245 . 1 1 68 68 GLY H H 1 7.901 0.020 . 1 . . . . 499 GLY H . 18741 1 246 . 1 1 68 68 GLY C C 13 175.099 0.3 . 1 . . . . 499 GLY C . 18741 1 247 . 1 1 68 68 GLY CA C 13 46.812 0.3 . 1 . . . . 499 GLY CA . 18741 1 248 . 1 1 68 68 GLY N N 15 112.568 0.3 . 1 . . . . 499 GLY N . 18741 1 249 . 1 1 69 69 LEU H H 1 8.168 0.020 . 1 . . . . 500 LEU H . 18741 1 250 . 1 1 69 69 LEU C C 13 177.175 0.3 . 1 . . . . 500 LEU C . 18741 1 251 . 1 1 69 69 LEU CA C 13 56.026 0.3 . 1 . . . . 500 LEU CA . 18741 1 252 . 1 1 69 69 LEU CB C 13 40.461 0.3 . 1 . . . . 500 LEU CB . 18741 1 253 . 1 1 69 69 LEU N N 15 119.204 0.3 . 1 . . . . 500 LEU N . 18741 1 254 . 1 1 70 70 ASP H H 1 8.231 0.020 . 1 . . . . 501 ASP H . 18741 1 255 . 1 1 70 70 ASP C C 13 176.772 0.3 . 1 . . . . 501 ASP C . 18741 1 256 . 1 1 70 70 ASP CA C 13 51.794 0.3 . 1 . . . . 501 ASP CA . 18741 1 257 . 1 1 70 70 ASP CB C 13 40.462 0.3 . 1 . . . . 501 ASP CB . 18741 1 258 . 1 1 70 70 ASP N N 15 118.580 0.3 . 1 . . . . 501 ASP N . 18741 1 259 . 1 1 71 71 LYS H H 1 8.487 0.020 . 1 . . . . 502 LYS H . 18741 1 260 . 1 1 71 71 LYS C C 13 176.984 0.3 . 1 . . . . 502 LYS C . 18741 1 261 . 1 1 71 71 LYS CA C 13 57.556 0.3 . 1 . . . . 502 LYS CA . 18741 1 262 . 1 1 71 71 LYS CB C 13 30.614 0.3 . 1 . . . . 502 LYS CB . 18741 1 263 . 1 1 71 71 LYS N N 15 124.909 0.3 . 1 . . . . 502 LYS N . 18741 1 264 . 1 1 72 72 ASP H H 1 8.245 0.020 . 1 . . . . 503 ASP H . 18741 1 265 . 1 1 72 72 ASP C C 13 175.882 0.3 . 1 . . . . 503 ASP C . 18741 1 266 . 1 1 72 72 ASP CA C 13 54.225 0.3 . 1 . . . . 503 ASP CA . 18741 1 267 . 1 1 72 72 ASP CB C 13 39.969 0.3 . 1 . . . . 503 ASP CB . 18741 1 268 . 1 1 72 72 ASP N N 15 116.260 0.3 . 1 . . . . 503 ASP N . 18741 1 269 . 1 1 73 73 LYS H H 1 7.424 0.020 . 1 . . . . 504 LYS H . 18741 1 270 . 1 1 73 73 LYS C C 13 174.315 0.3 . 1 . . . . 504 LYS C . 18741 1 271 . 1 1 73 73 LYS CA C 13 52.544 0.3 . 1 . . . . 504 LYS CA . 18741 1 272 . 1 1 73 73 LYS CB C 13 31.880 0.3 . 1 . . . . 504 LYS CB . 18741 1 273 . 1 1 73 73 LYS N N 15 119.846 0.3 . 1 . . . . 504 LYS N . 18741 1 274 . 1 1 74 74 PRO C C 13 175.949 0.3 . 1 . . . . 505 PRO C . 18741 1 275 . 1 1 74 74 PRO CA C 13 64.069 0.3 . 1 . . . . 505 PRO CA . 18741 1 276 . 1 1 74 74 PRO CB C 13 30.895 0.3 . 1 . . . . 505 PRO CB . 18741 1 277 . 1 1 75 75 ASN H H 1 8.333 0.020 . 1 . . . . 506 ASN H . 18741 1 278 . 1 1 75 75 ASN C C 13 174.802 0.3 . 1 . . . . 506 ASN C . 18741 1 279 . 1 1 75 75 ASN CA C 13 51.824 0.3 . 1 . . . . 506 ASN CA . 18741 1 280 . 1 1 75 75 ASN CB C 13 37.577 0.3 . 1 . . . . 506 ASN CB . 18741 1 281 . 1 1 75 75 ASN N N 15 113.728 0.3 . 1 . . . . 506 ASN N . 18741 1 282 . 1 1 76 76 ARG H H 1 7.410 0.020 . 1 . . . . 507 ARG H . 18741 1 283 . 1 1 76 76 ARG C C 13 175.713 0.3 . 1 . . . . 507 ARG C . 18741 1 284 . 1 1 76 76 ARG CA C 13 55.546 0.3 . 1 . . . . 507 ARG CA . 18741 1 285 . 1 1 76 76 ARG CB C 13 29.840 0.3 . 1 . . . . 507 ARG CB . 18741 1 286 . 1 1 76 76 ARG N N 15 121.428 0.3 . 1 . . . . 507 ARG N . 18741 1 287 . 1 1 77 77 VAL H H 1 8.663 0.020 . 1 . . . . 508 VAL H . 18741 1 288 . 1 1 77 77 VAL C C 13 175.610 0.3 . 1 . . . . 508 VAL C . 18741 1 289 . 1 1 77 77 VAL CA C 13 61.098 0.3 . 1 . . . . 508 VAL CA . 18741 1 290 . 1 1 77 77 VAL CB C 13 31.739 0.3 . 1 . . . . 508 VAL CB . 18741 1 291 . 1 1 77 77 VAL N N 15 128.073 0.3 . 1 . . . . 508 VAL N . 18741 1 292 . 1 1 78 78 THR H H 1 8.795 0.020 . 1 . . . . 509 THR H . 18741 1 293 . 1 1 78 78 THR C C 13 173.234 0.3 . 1 . . . . 509 THR C . 18741 1 294 . 1 1 78 78 THR CA C 13 60.557 0.3 . 1 . . . . 509 THR CA . 18741 1 295 . 1 1 78 78 THR CB C 13 70.495 0.3 . 1 . . . . 509 THR CB . 18741 1 296 . 1 1 78 78 THR N N 15 123.749 0.3 . 1 . . . . 509 THR N . 18741 1 297 . 1 1 79 79 LYS H H 1 8.737 0.020 . 1 . . . . 510 LYS H . 18741 1 298 . 1 1 79 79 LYS C C 13 175.183 0.3 . 1 . . . . 510 LYS C . 18741 1 299 . 1 1 79 79 LYS CA C 13 55.846 0.3 . 1 . . . . 510 LYS CA . 18741 1 300 . 1 1 79 79 LYS CB C 13 31.247 0.3 . 1 . . . . 510 LYS CB . 18741 1 301 . 1 1 79 79 LYS N N 15 127.440 0.3 . 1 . . . . 510 LYS N . 18741 1 302 . 1 1 80 80 VAL H H 1 8.694 0.020 . 1 . . . . 511 VAL H . 18741 1 303 . 1 1 80 80 VAL C C 13 171.285 0.3 . 1 . . . . 511 VAL C . 18741 1 304 . 1 1 80 80 VAL CA C 13 58.817 0.3 . 1 . . . . 511 VAL CA . 18741 1 305 . 1 1 80 80 VAL N N 15 117.083 0.3 . 1 . . . . 511 VAL N . 18741 1 306 . 1 1 81 81 ALA H H 1 8.405 0.020 . 1 . . . . 512 ALA H . 18741 1 307 . 1 1 81 81 ALA C C 13 174.844 0.3 . 1 . . . . 512 ALA C . 18741 1 308 . 1 1 81 81 ALA CA C 13 49.213 0.3 . 1 . . . . 512 ALA CA . 18741 1 309 . 1 1 81 81 ALA N N 15 122.812 0.3 . 1 . . . . 512 ALA N . 18741 1 310 . 1 1 82 82 VAL H H 1 9.040 0.020 . 1 . . . . 513 VAL H . 18741 1 311 . 1 1 82 82 VAL C C 13 174.823 0.3 . 1 . . . . 513 VAL C . 18741 1 312 . 1 1 82 82 VAL CA C 13 60.047 0.3 . 1 . . . . 513 VAL CA . 18741 1 313 . 1 1 82 82 VAL CB C 13 31.669 0.3 . 1 . . . . 513 VAL CB . 18741 1 314 . 1 1 82 82 VAL N N 15 121.439 0.3 . 1 . . . . 513 VAL N . 18741 1 315 . 1 1 83 83 LYS H H 1 9.346 0.020 . 1 . . . . 514 LYS H . 18741 1 316 . 1 1 83 83 LYS C C 13 174.611 0.3 . 1 . . . . 514 LYS C . 18741 1 317 . 1 1 83 83 LYS CA C 13 54.945 0.3 . 1 . . . . 514 LYS CA . 18741 1 318 . 1 1 83 83 LYS CB C 13 31.810 0.3 . 1 . . . . 514 LYS CB . 18741 1 319 . 1 1 83 83 LYS N N 15 127.379 0.3 . 1 . . . . 514 LYS N . 18741 1 320 . 1 1 84 84 MET H H 1 8.465 0.020 . 1 . . . . 515 MET H . 18741 1 321 . 1 1 84 84 MET C C 13 173.870 0.3 . 1 . . . . 515 MET C . 18741 1 322 . 1 1 84 84 MET CA C 13 53.145 0.3 . 1 . . . . 515 MET CA . 18741 1 323 . 1 1 84 84 MET CB C 13 35.326 0.3 . 1 . . . . 515 MET CB . 18741 1 324 . 1 1 84 84 MET N N 15 118.686 0.3 . 1 . . . . 515 MET N . 18741 1 325 . 1 1 85 85 LEU H H 1 8.986 0.020 . 1 . . . . 516 LEU H . 18741 1 326 . 1 1 85 85 LEU C C 13 178.509 0.3 . 1 . . . . 516 LEU C . 18741 1 327 . 1 1 85 85 LEU CA C 13 53.565 0.3 . 1 . . . . 516 LEU CA . 18741 1 328 . 1 1 85 85 LEU CB C 13 40.602 0.3 . 1 . . . . 516 LEU CB . 18741 1 329 . 1 1 85 85 LEU N N 15 119.846 0.3 . 1 . . . . 516 LEU N . 18741 1 330 . 1 1 86 86 LYS H H 1 8.553 0.020 . 1 . . . . 517 LYS H . 18741 1 331 . 1 1 86 86 LYS C C 13 177.641 0.3 . 1 . . . . 517 LYS C . 18741 1 332 . 1 1 86 86 LYS CA C 13 55.335 0.3 . 1 . . . . 517 LYS CA . 18741 1 333 . 1 1 86 86 LYS CB C 13 32.302 0.3 . 1 . . . . 517 LYS CB . 18741 1 334 . 1 1 86 86 LYS N N 15 120.479 0.3 . 1 . . . . 517 LYS N . 18741 1 335 . 1 1 87 87 SER H H 1 8.642 0.020 . 1 . . . . 518 SER H . 18741 1 336 . 1 1 87 87 SER C C 13 174.357 0.3 . 1 . . . . 518 SER C . 18741 1 337 . 1 1 87 87 SER CA C 13 60.347 0.3 . 1 . . . . 518 SER CA . 18741 1 338 . 1 1 87 87 SER CB C 13 61.633 0.3 . 1 . . . . 518 SER CB . 18741 1 339 . 1 1 87 87 SER N N 15 116.381 0.3 . 1 . . . . 518 SER N . 18741 1 340 . 1 1 88 88 ASP H H 1 8.218 0.020 . 1 . . . . 519 ASP H . 18741 1 341 . 1 1 88 88 ASP C C 13 175.099 0.3 . 1 . . . . 519 ASP C . 18741 1 342 . 1 1 88 88 ASP CA C 13 52.064 0.3 . 1 . . . . 519 ASP CA . 18741 1 343 . 1 1 88 88 ASP CB C 13 37.999 0.3 . 1 . . . . 519 ASP CB . 18741 1 344 . 1 1 88 88 ASP N N 15 119.034 0.3 . 1 . . . . 519 ASP N . 18741 1 345 . 1 1 89 89 ALA H H 1 7.124 0.020 . 1 . . . . 520 ALA H . 18741 1 346 . 1 1 89 89 ALA C C 13 177.471 0.3 . 1 . . . . 520 ALA C . 18741 1 347 . 1 1 89 89 ALA CA C 13 51.854 0.3 . 1 . . . . 520 ALA CA . 18741 1 348 . 1 1 89 89 ALA CB C 13 20.274 0.3 . 1 . . . . 520 ALA CB . 18741 1 349 . 1 1 89 89 ALA N N 15 121.745 0.3 . 1 . . . . 520 ALA N . 18741 1 350 . 1 1 90 90 THR H H 1 9.067 0.020 . 1 . . . . 521 THR H . 18741 1 351 . 1 1 90 90 THR C C 13 175.861 0.3 . 1 . . . . 521 THR C . 18741 1 352 . 1 1 90 90 THR CA C 13 59.297 0.3 . 1 . . . . 521 THR CA . 18741 1 353 . 1 1 90 90 THR CB C 13 71.339 0.3 . 1 . . . . 521 THR CB . 18741 1 354 . 1 1 90 90 THR N N 15 112.040 0.3 . 1 . . . . 521 THR N . 18741 1 355 . 1 1 91 91 GLU H H 1 8.898 0.020 . 1 . . . . 522 GLU H . 18741 1 356 . 1 1 91 91 GLU C C 13 178.022 0.3 . 1 . . . . 522 GLU C . 18741 1 357 . 1 1 91 91 GLU CA C 13 59.087 0.3 . 1 . . . . 522 GLU CA . 18741 1 358 . 1 1 91 91 GLU CB C 13 27.660 0.3 . 1 . . . . 522 GLU CB . 18741 1 359 . 1 1 91 91 GLU N N 15 120.584 0.3 . 1 . . . . 522 GLU N . 18741 1 360 . 1 1 92 92 LYS H H 1 7.776 0.020 . 1 . . . . 523 LYS H . 18741 1 361 . 1 1 92 92 LYS C C 13 177.365 0.3 . 1 . . . . 523 LYS C . 18741 1 362 . 1 1 92 92 LYS CA C 13 57.796 0.3 . 1 . . . . 523 LYS CA . 18741 1 363 . 1 1 92 92 LYS CB C 13 30.544 0.3 . 1 . . . . 523 LYS CB . 18741 1 364 . 1 1 92 92 LYS N N 15 121.006 0.3 . 1 . . . . 523 LYS N . 18741 1 365 . 1 1 93 93 ASP H H 1 7.213 0.020 . 1 . . . . 524 ASP H . 18741 1 366 . 1 1 93 93 ASP C C 13 178.149 0.3 . 1 . . . . 524 ASP C . 18741 1 367 . 1 1 93 93 ASP CA C 13 56.896 0.3 . 1 . . . . 524 ASP CA . 18741 1 368 . 1 1 93 93 ASP CB C 13 40.039 0.3 . 1 . . . . 524 ASP CB . 18741 1 369 . 1 1 93 93 ASP N N 15 119.555 0.3 . 1 . . . . 524 ASP N . 18741 1 370 . 1 1 94 94 LEU H H 1 7.439 0.020 . 1 . . . . 525 LEU H . 18741 1 371 . 1 1 94 94 LEU C C 13 177.154 0.3 . 1 . . . . 525 LEU C . 18741 1 372 . 1 1 94 94 LEU CA C 13 57.556 0.3 . 1 . . . . 525 LEU CA . 18741 1 373 . 1 1 94 94 LEU CB C 13 39.406 0.3 . 1 . . . . 525 LEU CB . 18741 1 374 . 1 1 94 94 LEU N N 15 120.388 0.3 . 1 . . . . 525 LEU N . 18741 1 375 . 1 1 95 95 SER H H 1 8.062 0.020 . 1 . . . . 526 SER H . 18741 1 376 . 1 1 95 95 SER C C 13 177.187 0.3 . 1 . . . . 526 SER C . 18741 1 377 . 1 1 95 95 SER CA C 13 61.038 0.3 . 1 . . . . 526 SER CA . 18741 1 378 . 1 1 95 95 SER CB C 13 61.038 0.3 . 1 . . . . 526 SER CB . 18741 1 379 . 1 1 95 95 SER N N 15 114.045 0.3 . 1 . . . . 526 SER N . 18741 1 380 . 1 1 96 96 ASP H H 1 8.357 0.020 . 1 . . . . 527 ASP H . 18741 1 381 . 1 1 96 96 ASP C C 13 178.149 0.3 . 1 . . . . 527 ASP C . 18741 1 382 . 1 1 96 96 ASP CA C 13 56.566 0.3 . 1 . . . . 527 ASP CA . 18741 1 383 . 1 1 96 96 ASP CB C 13 38.351 0.3 . 1 . . . . 527 ASP CB . 18741 1 384 . 1 1 96 96 ASP N N 15 122.869 0.3 . 1 . . . . 527 ASP N . 18741 1 385 . 1 1 97 97 LEU H H 1 7.710 0.020 . 1 . . . . 528 LEU H . 18741 1 386 . 1 1 97 97 LEU C C 13 178.192 0.3 . 1 . . . . 528 LEU C . 18741 1 387 . 1 1 97 97 LEU CA C 13 57.136 0.3 . 1 . . . . 528 LEU CA . 18741 1 388 . 1 1 97 97 LEU CB C 13 39.969 0.3 . 1 . . . . 528 LEU CB . 18741 1 389 . 1 1 97 97 LEU N N 15 124.909 0.3 . 1 . . . . 528 LEU N . 18741 1 390 . 1 1 98 98 ILE H H 1 8.297 0.020 . 1 . . . . 529 ILE H . 18741 1 391 . 1 1 98 98 ILE C C 13 177.827 0.3 . 1 . . . . 529 ILE C . 18741 1 392 . 1 1 98 98 ILE CA C 13 65.059 0.3 . 1 . . . . 529 ILE CA . 18741 1 393 . 1 1 98 98 ILE CB C 13 36.452 0.3 . 1 . . . . 529 ILE CB . 18741 1 394 . 1 1 98 98 ILE N N 15 119.658 0.3 . 1 . . . . 529 ILE N . 18741 1 395 . 1 1 99 99 SER H H 1 8.359 0.020 . 1 . . . . 530 SER H . 18741 1 396 . 1 1 99 99 SER C C 13 177.831 0.3 . 1 . . . . 530 SER C . 18741 1 397 . 1 1 99 99 SER CA C 13 61.308 0.3 . 1 . . . . 530 SER CA . 18741 1 398 . 1 1 99 99 SER CB C 13 61.633 0.3 . 1 . . . . 530 SER CB . 18741 1 399 . 1 1 99 99 SER N N 15 114.718 0.3 . 1 . . . . 530 SER N . 18741 1 400 . 1 1 100 100 GLU H H 1 7.802 0.020 . 1 . . . . 531 GLU H . 18741 1 401 . 1 1 100 100 GLU C C 13 177.810 0.3 . 1 . . . . 531 GLU C . 18741 1 402 . 1 1 100 100 GLU CA C 13 58.547 0.3 . 1 . . . . 531 GLU CA . 18741 1 403 . 1 1 100 100 GLU CB C 13 27.660 0.3 . 1 . . . . 531 GLU CB . 18741 1 404 . 1 1 100 100 GLU N N 15 124.098 0.3 . 1 . . . . 531 GLU N . 18741 1 405 . 1 1 101 101 MET H H 1 7.926 0.020 . 1 . . . . 532 MET H . 18741 1 406 . 1 1 101 101 MET C C 13 177.127 0.3 . 1 . . . . 532 MET C . 18741 1 407 . 1 1 101 101 MET CA C 13 59.117 0.3 . 1 . . . . 532 MET CA . 18741 1 408 . 1 1 101 101 MET CB C 13 30.639 0.3 . 1 . . . . 532 MET CB . 18741 1 409 . 1 1 101 101 MET N N 15 119.965 0.3 . 1 . . . . 532 MET N . 18741 1 410 . 1 1 102 102 GLU H H 1 8.744 0.020 . 1 . . . . 533 GLU H . 18741 1 411 . 1 1 102 102 GLU C C 13 179.590 0.3 . 1 . . . . 533 GLU C . 18741 1 412 . 1 1 102 102 GLU CA C 13 58.216 0.3 . 1 . . . . 533 GLU CA . 18741 1 413 . 1 1 102 102 GLU CB C 13 27.660 0.3 . 1 . . . . 533 GLU CB . 18741 1 414 . 1 1 102 102 GLU N N 15 117.424 0.3 . 1 . . . . 533 GLU N . 18741 1 415 . 1 1 103 103 MET H H 1 8.332 0.020 . 1 . . . . 534 MET H . 18741 1 416 . 1 1 103 103 MET C C 13 178.552 0.3 . 1 . . . . 534 MET C . 18741 1 417 . 1 1 103 103 MET CA C 13 57.316 0.3 . 1 . . . . 534 MET CA . 18741 1 418 . 1 1 103 103 MET CB C 13 29.770 0.3 . 1 . . . . 534 MET CB . 18741 1 419 . 1 1 103 103 MET N N 15 121.441 0.3 . 1 . . . . 534 MET N . 18741 1 420 . 1 1 104 104 MET H H 1 8.099 0.020 . 1 . . . . 535 MET H . 18741 1 421 . 1 1 104 104 MET C C 13 179.766 0.3 . 1 . . . . 535 MET C . 18741 1 422 . 1 1 104 104 MET CA C 13 59.076 0.3 . 1 . . . . 535 MET CA . 18741 1 423 . 1 1 104 104 MET CB C 13 28.855 0.3 . 1 . . . . 535 MET CB . 18741 1 424 . 1 1 104 104 MET N N 15 117.735 0.3 . 1 . . . . 535 MET N . 18741 1 425 . 1 1 105 105 LYS H H 1 7.769 0.020 . 1 . . . . 536 LYS H . 18741 1 426 . 1 1 105 105 LYS C C 13 178.234 0.3 . 1 . . . . 536 LYS C . 18741 1 427 . 1 1 105 105 LYS CA C 13 59.087 0.3 . 1 . . . . 536 LYS CA . 18741 1 428 . 1 1 105 105 LYS CB C 13 31.599 0.3 . 1 . . . . 536 LYS CB . 18741 1 429 . 1 1 105 105 LYS N N 15 119.424 0.3 . 1 . . . . 536 LYS N . 18741 1 430 . 1 1 106 106 MET H H 1 7.385 0.020 . 1 . . . . 537 MET H . 18741 1 431 . 1 1 106 106 MET C C 13 178.213 0.3 . 1 . . . . 537 MET C . 18741 1 432 . 1 1 106 106 MET CA C 13 56.836 0.3 . 1 . . . . 537 MET CA . 18741 1 433 . 1 1 106 106 MET CB C 13 31.388 0.3 . 1 . . . . 537 MET CB . 18741 1 434 . 1 1 106 106 MET N N 15 117.422 0.3 . 1 . . . . 537 MET N . 18741 1 435 . 1 1 107 107 ILE H H 1 8.126 0.020 . 1 . . . . 538 ILE H . 18741 1 436 . 1 1 107 107 ILE C C 13 176.816 0.3 . 1 . . . . 538 ILE C . 18741 1 437 . 1 1 107 107 ILE CA C 13 62.568 0.3 . 1 . . . . 538 ILE CA . 18741 1 438 . 1 1 107 107 ILE CB C 13 37.718 0.3 . 1 . . . . 538 ILE CB . 18741 1 439 . 1 1 107 107 ILE N N 15 120.578 0.3 . 1 . . . . 538 ILE N . 18741 1 440 . 1 1 108 108 GLY H H 1 7.256 0.020 . 1 . . . . 539 GLY H . 18741 1 441 . 1 1 108 108 GLY C C 13 171.455 0.3 . 1 . . . . 539 GLY C . 18741 1 442 . 1 1 108 108 GLY CA C 13 44.051 0.3 . 1 . . . . 539 GLY CA . 18741 1 443 . 1 1 108 108 GLY N N 15 106.766 0.3 . 1 . . . . 539 GLY N . 18741 1 444 . 1 1 109 109 LYS H H 1 7.622 0.020 . 1 . . . . 540 LYS H . 18741 1 445 . 1 1 109 109 LYS C C 13 176.094 0.3 . 1 . . . . 540 LYS C . 18741 1 446 . 1 1 109 109 LYS CA C 13 54.915 0.3 . 1 . . . . 540 LYS CA . 18741 1 447 . 1 1 109 109 LYS CB C 13 33.568 0.3 . 1 . . . . 540 LYS CB . 18741 1 448 . 1 1 109 109 LYS N N 15 116.681 0.3 . 1 . . . . 540 LYS N . 18741 1 449 . 1 1 110 110 HIS H H 1 7.842 0.020 . 1 . . . . 541 HIS H . 18741 1 450 . 1 1 110 110 HIS C C 13 174.381 0.3 . 1 . . . . 541 HIS C . 18741 1 451 . 1 1 110 110 HIS CA C 13 57.016 0.3 . 1 . . . . 541 HIS CA . 18741 1 452 . 1 1 110 110 HIS CB C 13 33.100 0.3 . 1 . . . . 541 HIS CB . 18741 1 453 . 1 1 110 110 HIS N N 15 119.740 0.3 . 1 . . . . 541 HIS N . 18741 1 454 . 1 1 111 111 LYS H H 1 7.395 0.020 . 1 . . . . 542 LYS H . 18741 1 455 . 1 1 111 111 LYS C C 13 177.175 0.3 . 1 . . . . 542 LYS C . 18741 1 456 . 1 1 111 111 LYS CA C 13 58.577 0.3 . 1 . . . . 542 LYS CA . 18741 1 457 . 1 1 111 111 LYS CB C 13 31.669 0.3 . 1 . . . . 542 LYS CB . 18741 1 458 . 1 1 111 111 LYS N N 15 127.862 0.3 . 1 . . . . 542 LYS N . 18741 1 459 . 1 1 112 112 ASN H H 1 11.179 0.020 . 1 . . . . 543 ASN H . 18741 1 460 . 1 1 112 112 ASN C C 13 173.933 0.3 . 1 . . . . 543 ASN C . 18741 1 461 . 1 1 112 112 ASN CA C 13 54.225 0.3 . 1 . . . . 543 ASN CA . 18741 1 462 . 1 1 112 112 ASN CB C 13 39.406 0.3 . 1 . . . . 543 ASN CB . 18741 1 463 . 1 1 112 112 ASN N N 15 118.580 0.3 . 1 . . . . 543 ASN N . 18741 1 464 . 1 1 113 113 ILE H H 1 7.296 0.020 . 1 . . . . 544 ILE H . 18741 1 465 . 1 1 113 113 ILE C C 13 173.617 0.3 . 1 . . . . 544 ILE C . 18741 1 466 . 1 1 113 113 ILE CA C 13 58.847 0.3 . 1 . . . . 544 ILE CA . 18741 1 467 . 1 1 113 113 ILE CB C 13 39.406 0.3 . 1 . . . . 544 ILE CB . 18741 1 468 . 1 1 113 113 ILE N N 15 111.871 0.3 . 1 . . . . 544 ILE N . 18741 1 469 . 1 1 114 114 ILE C C 13 174.711 0.3 . 1 . . . . 545 ILE C . 18741 1 470 . 1 1 114 114 ILE CA C 13 57.556 0.3 . 1 . . . . 545 ILE CA . 18741 1 471 . 1 1 114 114 ILE CB C 13 34.131 0.3 . 1 . . . . 545 ILE CB . 18741 1 472 . 1 1 115 115 ASN H H 1 8.776 0.020 . 1 . . . . 546 ASN H . 18741 1 473 . 1 1 115 115 ASN C C 13 175.162 0.3 . 1 . . . . 546 ASN C . 18741 1 474 . 1 1 115 115 ASN CA C 13 52.905 0.3 . 1 . . . . 546 ASN CA . 18741 1 475 . 1 1 115 115 ASN CB C 13 39.406 0.3 . 1 . . . . 546 ASN CB . 18741 1 476 . 1 1 115 115 ASN N N 15 125.072 0.3 . 1 . . . . 546 ASN N . 18741 1 477 . 1 1 116 116 LEU H H 1 8.121 0.020 . 1 . . . . 547 LEU H . 18741 1 478 . 1 1 116 116 LEU C C 13 175.183 0.3 . 1 . . . . 547 LEU C . 18741 1 479 . 1 1 116 116 LEU CA C 13 54.315 0.3 . 1 . . . . 547 LEU CA . 18741 1 480 . 1 1 116 116 LEU CB C 13 41.235 0.3 . 1 . . . . 547 LEU CB . 18741 1 481 . 1 1 116 116 LEU N N 15 120.690 0.3 . 1 . . . . 547 LEU N . 18741 1 482 . 1 1 117 117 LEU H H 1 9.399 0.020 . 1 . . . . 548 LEU H . 18741 1 483 . 1 1 117 117 LEU C C 13 177.517 0.3 . 1 . . . . 548 LEU C . 18741 1 484 . 1 1 117 117 LEU CA C 13 53.337 0.3 . 1 . . . . 548 LEU CA . 18741 1 485 . 1 1 117 117 LEU CB C 13 42.853 0.3 . 1 . . . . 548 LEU CB . 18741 1 486 . 1 1 117 117 LEU N N 15 124.020 0.3 . 1 . . . . 548 LEU N . 18741 1 487 . 1 1 118 118 GLY H H 1 7.933 0.020 . 1 . . . . 549 GLY H . 18741 1 488 . 1 1 118 118 GLY C C 13 168.520 0.3 . 1 . . . . 549 GLY C . 18741 1 489 . 1 1 118 118 GLY CA C 13 45.072 0.3 . 1 . . . . 549 GLY CA . 18741 1 490 . 1 1 118 118 GLY N N 15 104.658 0.3 . 1 . . . . 549 GLY N . 18741 1 491 . 1 1 119 119 ALA H H 1 8.539 0.020 . 1 . . . . 550 ALA H . 18741 1 492 . 1 1 119 119 ALA C C 13 174.929 0.3 . 1 . . . . 550 ALA C . 18741 1 493 . 1 1 119 119 ALA CA C 13 50.834 0.3 . 1 . . . . 550 ALA CA . 18741 1 494 . 1 1 119 119 ALA CB C 13 22.173 0.3 . 1 . . . . 550 ALA CB . 18741 1 495 . 1 1 119 119 ALA N N 15 120.901 0.3 . 1 . . . . 550 ALA N . 18741 1 496 . 1 1 120 120 CYS H H 1 9.013 0.020 . 1 . . . . 551 CYS H . 18741 1 497 . 1 1 120 120 CYS C C 13 174.124 0.3 . 1 . . . . 551 CYS C . 18741 1 498 . 1 1 120 120 CYS CA C 13 56.326 0.3 . 1 . . . . 551 CYS CA . 18741 1 499 . 1 1 120 120 CYS CB C 13 27.449 0.3 . 1 . . . . 551 CYS CB . 18741 1 500 . 1 1 120 120 CYS N N 15 119.186 0.3 . 1 . . . . 551 CYS N . 18741 1 501 . 1 1 121 121 THR H H 1 10.505 0.020 . 1 . . . . 552 THR H . 18741 1 502 . 1 1 121 121 THR C C 13 174.505 0.3 . 1 . . . . 552 THR C . 18741 1 503 . 1 1 121 121 THR CA C 13 61.038 0.3 . 1 . . . . 552 THR CA . 18741 1 504 . 1 1 121 121 THR CB C 13 69.862 0.3 . 1 . . . . 552 THR CB . 18741 1 505 . 1 1 121 121 THR N N 15 115.336 0.3 . 1 . . . . 552 THR N . 18741 1 506 . 1 1 122 122 GLN H H 1 7.222 0.020 . 1 . . . . 553 GLN H . 18741 1 507 . 1 1 122 122 GLN C C 13 176.073 0.3 . 1 . . . . 553 GLN C . 18741 1 508 . 1 1 122 122 GLN CA C 13 52.773 0.3 . 1 . . . . 553 GLN CA . 18741 1 509 . 1 1 122 122 GLN CB C 13 29.770 0.3 . 1 . . . . 553 GLN CB . 18741 1 510 . 1 1 122 122 GLN N N 15 120.380 0.3 . 1 . . . . 553 GLN N . 18741 1 511 . 1 1 123 123 ASP H H 1 9.133 0.020 . 1 . . . . 554 ASP H . 18741 1 512 . 1 1 123 123 ASP C C 13 173.573 0.3 . 1 . . . . 554 ASP C . 18741 1 513 . 1 1 123 123 ASP CA C 13 54.615 0.3 . 1 . . . . 554 ASP CA . 18741 1 514 . 1 1 123 123 ASP CB C 13 38.281 0.3 . 1 . . . . 554 ASP CB . 18741 1 515 . 1 1 123 123 ASP N N 15 121.323 0.3 . 1 . . . . 554 ASP N . 18741 1 516 . 1 1 124 124 GLY H H 1 7.322 0.020 . 1 . . . . 555 GLY H . 18741 1 517 . 1 1 124 124 GLY C C 13 169.160 0.3 . 1 . . . . 555 GLY C . 18741 1 518 . 1 1 124 124 GLY CA C 13 43.841 0.3 . 1 . . . . 555 GLY CA . 18741 1 519 . 1 1 124 124 GLY N N 15 104.762 0.3 . 1 . . . . 555 GLY N . 18741 1 520 . 1 1 125 125 PRO C C 13 175.763 0.3 . 1 . . . . 556 PRO C . 18741 1 521 . 1 1 125 125 PRO CA C 13 61.068 0.3 . 1 . . . . 556 PRO CA . 18741 1 522 . 1 1 125 125 PRO CB C 13 31.106 0.3 . 1 . . . . 556 PRO CB . 18741 1 523 . 1 1 126 126 LEU H H 1 7.930 0.020 . 1 . . . . 557 LEU H . 18741 1 524 . 1 1 126 126 LEU C C 13 175.332 0.3 . 1 . . . . 557 LEU C . 18741 1 525 . 1 1 126 126 LEU CA C 13 54.825 0.3 . 1 . . . . 557 LEU CA . 18741 1 526 . 1 1 126 126 LEU CB C 13 40.039 0.3 . 1 . . . . 557 LEU CB . 18741 1 527 . 1 1 126 126 LEU N N 15 124.171 0.3 . 1 . . . . 557 LEU N . 18741 1 528 . 1 1 127 127 TYR H H 1 8.535 0.020 . 1 . . . . 558 TYR H . 18741 1 529 . 1 1 127 127 TYR CA C 13 51.287 0.3 . 1 . . . . 558 TYR CA . 18741 1 530 . 1 1 127 127 TYR CB C 13 39.294 0.3 . 1 . . . . 558 TYR CB . 18741 1 531 . 1 1 127 127 TYR N N 15 125.188 0.3 . 1 . . . . 558 TYR N . 18741 1 532 . 1 1 130 130 VAL C C 13 174.177 0.3 . 1 . . . . 561 VAL C . 18741 1 533 . 1 1 130 130 VAL CA C 13 57.076 0.3 . 1 . . . . 561 VAL CA . 18741 1 534 . 1 1 130 130 VAL CB C 13 33.521 0.3 . 1 . . . . 561 VAL CB . 18741 1 535 . 1 1 131 131 GLU H H 1 7.331 0.020 . 1 . . . . 562 GLU H . 18741 1 536 . 1 1 131 131 GLU C C 13 173.874 0.3 . 1 . . . . 562 GLU C . 18741 1 537 . 1 1 131 131 GLU CA C 13 56.312 0.3 . 1 . . . . 562 GLU CA . 18741 1 538 . 1 1 131 131 GLU CB C 13 30.614 0.3 . 1 . . . . 562 GLU CB . 18741 1 539 . 1 1 131 131 GLU N N 15 116.894 0.3 . 1 . . . . 562 GLU N . 18741 1 540 . 1 1 132 132 TYR H H 1 8.297 0.020 . 1 . . . . 563 TYR H . 18741 1 541 . 1 1 132 132 TYR C C 13 173.721 0.3 . 1 . . . . 563 TYR C . 18741 1 542 . 1 1 132 132 TYR CA C 13 53.595 0.3 . 1 . . . . 563 TYR CA . 18741 1 543 . 1 1 132 132 TYR CB C 13 39.054 0.3 . 1 . . . . 563 TYR CB . 18741 1 544 . 1 1 132 132 TYR N N 15 118.580 0.3 . 1 . . . . 563 TYR N . 18741 1 545 . 1 1 133 133 ALA H H 1 8.656 0.020 . 1 . . . . 564 ALA H . 18741 1 546 . 1 1 133 133 ALA C C 13 175.713 0.3 . 1 . . . . 564 ALA C . 18741 1 547 . 1 1 133 133 ALA CA C 13 49.063 0.3 . 1 . . . . 564 ALA CA . 18741 1 548 . 1 1 133 133 ALA CB C 13 18.868 0.3 . 1 . . . . 564 ALA CB . 18741 1 549 . 1 1 133 133 ALA N N 15 135.138 0.3 . 1 . . . . 564 ALA N . 18741 1 550 . 1 1 134 134 SER H H 1 8.234 0.020 . 1 . . . . 565 SER H . 18741 1 551 . 1 1 134 134 SER C C 13 175.598 0.3 . 1 . . . . 565 SER C . 18741 1 552 . 1 1 134 134 SER CA C 13 60.137 0.3 . 1 . . . . 565 SER CA . 18741 1 553 . 1 1 134 134 SER CB C 13 61.844 0.3 . 1 . . . . 565 SER CB . 18741 1 554 . 1 1 134 134 SER N N 15 119.285 0.3 . 1 . . . . 565 SER N . 18741 1 555 . 1 1 135 135 LYS H H 1 7.891 0.020 . 1 . . . . 566 LYS H . 18741 1 556 . 1 1 135 135 LYS C C 13 175.946 0.3 . 1 . . . . 566 LYS C . 18741 1 557 . 1 1 135 135 LYS CA C 13 56.356 0.3 . 1 . . . . 566 LYS CA . 18741 1 558 . 1 1 135 135 LYS CB C 13 30.333 0.3 . 1 . . . . 566 LYS CB . 18741 1 559 . 1 1 135 135 LYS N N 15 120.613 0.3 . 1 . . . . 566 LYS N . 18741 1 560 . 1 1 136 136 GLY H H 1 7.021 0.020 . 1 . . . . 567 GLY H . 18741 1 561 . 1 1 136 136 GLY C C 13 172.196 0.3 . 1 . . . . 567 GLY C . 18741 1 562 . 1 1 136 136 GLY CA C 13 44.171 0.3 . 1 . . . . 567 GLY CA . 18741 1 563 . 1 1 136 136 GLY N N 15 105.395 0.3 . 1 . . . . 567 GLY N . 18741 1 564 . 1 1 137 137 ASN H H 1 8.231 0.020 . 1 . . . . 568 ASN H . 18741 1 565 . 1 1 137 137 ASN C C 13 175.713 0.3 . 1 . . . . 568 ASN C . 18741 1 566 . 1 1 137 137 ASN CA C 13 51.584 0.3 . 1 . . . . 568 ASN CA . 18741 1 567 . 1 1 137 137 ASN CB C 13 39.969 0.3 . 1 . . . . 568 ASN CB . 18741 1 568 . 1 1 137 137 ASN N N 15 115.838 0.3 . 1 . . . . 568 ASN N . 18741 1 569 . 1 1 138 138 LEU H H 1 9.413 0.020 . 1 . . . . 569 LEU H . 18741 1 570 . 1 1 138 138 LEU C C 13 176.960 0.3 . 1 . . . . 569 LEU C . 18741 1 571 . 1 1 138 138 LEU CA C 13 56.116 0.3 . 1 . . . . 569 LEU CA . 18741 1 572 . 1 1 138 138 LEU CB C 13 39.758 0.3 . 1 . . . . 569 LEU CB . 18741 1 573 . 1 1 138 138 LEU N N 15 121.531 0.3 . 1 . . . . 569 LEU N . 18741 1 574 . 1 1 139 139 ARG H H 1 7.068 0.020 . 1 . . . . 570 ARG H . 18741 1 575 . 1 1 139 139 ARG C C 13 177.132 0.3 . 1 . . . . 570 ARG C . 18741 1 576 . 1 1 139 139 ARG CA C 13 59.987 0.3 . 1 . . . . 570 ARG CA . 18741 1 577 . 1 1 139 139 ARG CB C 13 27.730 0.3 . 1 . . . . 570 ARG CB . 18741 1 578 . 1 1 139 139 ARG N N 15 119.266 0.3 . 1 . . . . 570 ARG N . 18741 1 579 . 1 1 140 140 GLU H H 1 7.857 0.020 . 1 . . . . 571 GLU H . 18741 1 580 . 1 1 140 140 GLU C C 13 178.528 0.3 . 1 . . . . 571 GLU C . 18741 1 581 . 1 1 140 140 GLU CA C 13 58.096 0.3 . 1 . . . . 571 GLU CA . 18741 1 582 . 1 1 140 140 GLU CB C 13 27.730 0.3 . 1 . . . . 571 GLU CB . 18741 1 583 . 1 1 140 140 GLU N N 15 118.139 0.3 . 1 . . . . 571 GLU N . 18741 1 584 . 1 1 141 141 TYR H H 1 8.316 0.020 . 1 . . . . 572 TYR H . 18741 1 585 . 1 1 141 141 TYR CA C 13 59.807 0.3 . 1 . . . . 572 TYR CA . 18741 1 586 . 1 1 141 141 TYR CB C 13 37.634 0.3 . 1 . . . . 572 TYR CB . 18741 1 587 . 1 1 141 141 TYR N N 15 123.245 0.3 . 1 . . . . 572 TYR N . 18741 1 588 . 1 1 142 142 LEU C C 13 178.549 0.3 . 1 . . . . 573 LEU C . 18741 1 589 . 1 1 142 142 LEU CA C 13 56.356 0.3 . 1 . . . . 573 LEU CA . 18741 1 590 . 1 1 142 142 LEU CB C 13 40.039 0.3 . 1 . . . . 573 LEU CB . 18741 1 591 . 1 1 143 143 GLN H H 1 7.731 0.020 . 1 . . . . 574 GLN H . 18741 1 592 . 1 1 143 143 GLN C C 13 178.552 0.3 . 1 . . . . 574 GLN C . 18741 1 593 . 1 1 143 143 GLN CA C 13 58.307 0.3 . 1 . . . . 574 GLN CA . 18741 1 594 . 1 1 143 143 GLN CB C 13 26.605 0.3 . 1 . . . . 574 GLN CB . 18741 1 595 . 1 1 143 143 GLN N N 15 116.037 0.3 . 1 . . . . 574 GLN N . 18741 1 596 . 1 1 144 144 ALA H H 1 7.505 0.020 . 1 . . . . 575 ALA H . 18741 1 597 . 1 1 144 144 ALA C C 13 177.789 0.3 . 1 . . . . 575 ALA C . 18741 1 598 . 1 1 144 144 ALA CA C 13 52.484 0.3 . 1 . . . . 575 ALA CA . 18741 1 599 . 1 1 144 144 ALA CB C 13 17.179 0.3 . 1 . . . . 575 ALA CB . 18741 1 600 . 1 1 144 144 ALA N N 15 118.686 0.3 . 1 . . . . 575 ALA N . 18741 1 601 . 1 1 145 145 ARG H H 1 7.150 0.020 . 1 . . . . 576 ARG H . 18741 1 602 . 1 1 145 145 ARG C C 13 174.546 0.3 . 1 . . . . 576 ARG C . 18741 1 603 . 1 1 145 145 ARG CA C 13 54.315 0.3 . 1 . . . . 576 ARG CA . 18741 1 604 . 1 1 145 145 ARG CB C 13 28.293 0.3 . 1 . . . . 576 ARG CB . 18741 1 605 . 1 1 145 145 ARG N N 15 117.950 0.3 . 1 . . . . 576 ARG N . 18741 1 606 . 1 1 146 146 ARG H H 1 7.080 0.020 . 1 . . . . 577 ARG H . 18741 1 607 . 1 1 146 146 ARG C C 13 173.594 0.3 . 1 . . . . 577 ARG C . 18741 1 608 . 1 1 146 146 ARG CA C 13 54.105 0.3 . 1 . . . . 577 ARG CA . 18741 1 609 . 1 1 146 146 ARG CB C 13 28.855 0.3 . 1 . . . . 577 ARG CB . 18741 1 610 . 1 1 146 146 ARG N N 15 121.112 0.3 . 1 . . . . 577 ARG N . 18741 1 611 . 1 1 148 148 PRO C C 13 177.063 0.3 . 1 . . . . 579 PRO C . 18741 1 612 . 1 1 148 148 PRO CA C 13 62.418 0.3 . 1 . . . . 579 PRO CA . 18741 1 613 . 1 1 148 148 PRO CB C 13 30.614 0.3 . 1 . . . . 579 PRO CB . 18741 1 614 . 1 1 149 149 GLY H H 1 8.179 0.020 . 1 . . . . 580 GLY H . 18741 1 615 . 1 1 149 149 GLY C C 13 173.933 0.3 . 1 . . . . 580 GLY C . 18741 1 616 . 1 1 149 149 GLY CA C 13 44.321 0.3 . 1 . . . . 580 GLY CA . 18741 1 617 . 1 1 149 149 GLY N N 15 108.876 0.3 . 1 . . . . 580 GLY N . 18741 1 618 . 1 1 150 150 LEU H H 1 7.989 0.020 . 1 . . . . 581 LEU H . 18741 1 619 . 1 1 150 150 LEU C C 13 177.323 0.3 . 1 . . . . 581 LEU C . 18741 1 620 . 1 1 150 150 LEU CA C 13 54.855 0.3 . 1 . . . . 581 LEU CA . 18741 1 621 . 1 1 150 150 LEU CB C 13 40.602 0.3 . 1 . . . . 581 LEU CB . 18741 1 622 . 1 1 150 150 LEU N N 15 121.534 0.3 . 1 . . . . 581 LEU N . 18741 1 623 . 1 1 151 151 GLU H H 1 8.363 0.020 . 1 . . . . 582 GLU H . 18741 1 624 . 1 1 151 151 GLU C C 13 175.713 0.3 . 1 . . . . 582 GLU C . 18741 1 625 . 1 1 151 151 GLU CA C 13 56.086 0.3 . 1 . . . . 582 GLU CA . 18741 1 626 . 1 1 151 151 GLU CB C 13 28.293 0.3 . 1 . . . . 582 GLU CB . 18741 1 627 . 1 1 151 151 GLU N N 15 119.740 0.3 . 1 . . . . 582 GLU N . 18741 1 628 . 1 1 152 152 TYR H H 1 7.849 0.020 . 1 . . . . 583 TYR H . 18741 1 629 . 1 1 152 152 TYR C C 13 175.247 0.3 . 1 . . . . 583 TYR C . 18741 1 630 . 1 1 152 152 TYR CA C 13 57.076 0.3 . 1 . . . . 583 TYR CA . 18741 1 631 . 1 1 152 152 TYR CB C 13 37.577 0.3 . 1 . . . . 583 TYR CB . 18741 1 632 . 1 1 152 152 TYR N N 15 120.373 0.3 . 1 . . . . 583 TYR N . 18741 1 633 . 1 1 153 153 SER H H 1 7.857 0.020 . 1 . . . . 584 SER H . 18741 1 634 . 1 1 153 153 SER C C 13 173.370 0.3 . 1 . . . . 584 SER C . 18741 1 635 . 1 1 153 153 SER CA C 13 57.316 0.3 . 1 . . . . 584 SER CA . 18741 1 636 . 1 1 153 153 SER CB C 13 62.547 0.3 . 1 . . . . 584 SER CB . 18741 1 637 . 1 1 153 153 SER N N 15 116.998 0.3 . 1 . . . . 584 SER N . 18741 1 638 . 1 1 154 154 TYR H H 1 7.951 0.020 . 1 . . . . 585 TYR H . 18741 1 639 . 1 1 154 154 TYR C C 13 174.484 0.3 . 1 . . . . 585 TYR C . 18741 1 640 . 1 1 154 154 TYR CA C 13 57.076 0.3 . 1 . . . . 585 TYR CA . 18741 1 641 . 1 1 154 154 TYR CB C 13 37.648 0.3 . 1 . . . . 585 TYR CB . 18741 1 642 . 1 1 154 154 TYR N N 15 122.317 0.3 . 1 . . . . 585 TYR N . 18741 1 643 . 1 1 155 155 ASN H H 1 8.085 0.020 . 1 . . . . 586 ASN H . 18741 1 644 . 1 1 155 155 ASN C C 13 172.874 0.3 . 1 . . . . 586 ASN C . 18741 1 645 . 1 1 155 155 ASN CA C 13 49.813 0.3 . 1 . . . . 586 ASN CA . 18741 1 646 . 1 1 155 155 ASN CB C 13 37.859 0.3 . 1 . . . . 586 ASN CB . 18741 1 647 . 1 1 155 155 ASN N N 15 122.763 0.3 . 1 . . . . 586 ASN N . 18741 1 648 . 1 1 156 156 PRO C C 13 176.692 0.3 . 1 . . . . 587 PRO C . 18741 1 649 . 1 1 156 156 PRO CA C 13 63.018 0.3 . 1 . . . . 587 PRO CA . 18741 1 650 . 1 1 156 156 PRO CB C 13 30.614 0.3 . 1 . . . . 587 PRO CB . 18741 1 651 . 1 1 157 157 SER H H 1 8.033 0.020 . 1 . . . . 588 SER H . 18741 1 652 . 1 1 157 157 SER C C 13 176.709 0.3 . 1 . . . . 588 SER C . 18741 1 653 . 1 1 157 157 SER CA C 13 57.796 0.3 . 1 . . . . 588 SER CA . 18741 1 654 . 1 1 157 157 SER CB C 13 62.336 0.3 . 1 . . . . 588 SER CB . 18741 1 655 . 1 1 157 157 SER N N 15 114.361 0.3 . 1 . . . . 588 SER N . 18741 1 656 . 1 1 158 158 HIS H H 1 8.267 0.020 . 1 . . . . 589 HIS H . 18741 1 657 . 1 1 158 158 HIS C C 13 175.713 0.3 . 1 . . . . 589 HIS C . 18741 1 658 . 1 1 158 158 HIS CA C 13 56.056 0.3 . 1 . . . . 589 HIS CA . 18741 1 659 . 1 1 158 158 HIS CB C 13 28.855 0.3 . 1 . . . . 589 HIS CB . 18741 1 660 . 1 1 158 158 HIS N N 15 122.166 0.3 . 1 . . . . 589 HIS N . 18741 1 661 . 1 1 159 159 ASN H H 1 8.180 0.020 . 1 . . . . 590 ASN H . 18741 1 662 . 1 1 159 159 ASN C C 13 174.509 0.3 . 1 . . . . 590 ASN C . 18741 1 663 . 1 1 159 159 ASN CA C 13 52.523 0.3 . 1 . . . . 590 ASN CA . 18741 1 664 . 1 1 159 159 ASN CB C 13 37.651 0.3 . 1 . . . . 590 ASN CB . 18741 1 665 . 1 1 159 159 ASN N N 15 119.002 0.3 . 1 . . . . 590 ASN N . 18741 1 666 . 1 1 160 160 PRO C C 13 176.981 0.3 . 1 . . . . 591 PRO C . 18741 1 667 . 1 1 160 160 PRO CA C 13 62.898 0.3 . 1 . . . . 591 PRO CA . 18741 1 668 . 1 1 160 160 PRO CB C 13 30.614 0.3 . 1 . . . . 591 PRO CB . 18741 1 669 . 1 1 161 161 GLU H H 1 8.245 0.020 . 1 . . . . 592 GLU H . 18741 1 670 . 1 1 161 161 GLU C C 13 176.217 0.3 . 1 . . . . 592 GLU C . 18741 1 671 . 1 1 161 161 GLU CA C 13 56.086 0.3 . 1 . . . . 592 GLU CA . 18741 1 672 . 1 1 161 161 GLU CB C 13 28.785 0.3 . 1 . . . . 592 GLU CB . 18741 1 673 . 1 1 161 161 GLU N N 15 119.424 0.3 . 1 . . . . 592 GLU N . 18741 1 674 . 1 1 162 162 GLU H H 1 7.827 0.020 . 1 . . . . 593 GLU H . 18741 1 675 . 1 1 162 162 GLU C C 13 174.823 0.3 . 1 . . . . 593 GLU C . 18741 1 676 . 1 1 162 162 GLU CA C 13 55.071 0.3 . 1 . . . . 593 GLU CA . 18741 1 677 . 1 1 162 162 GLU CB C 13 29.277 0.3 . 1 . . . . 593 GLU CB . 18741 1 678 . 1 1 162 162 GLU N N 15 119.424 0.3 . 1 . . . . 593 GLU N . 18741 1 679 . 1 1 163 163 GLN H H 1 7.818 0.020 . 1 . . . . 594 GLN H . 18741 1 680 . 1 1 163 163 GLN C C 13 175.374 0.3 . 1 . . . . 594 GLN C . 18741 1 681 . 1 1 163 163 GLN CA C 13 54.435 0.3 . 1 . . . . 594 GLN CA . 18741 1 682 . 1 1 163 163 GLN CB C 13 29.418 0.3 . 1 . . . . 594 GLN CB . 18741 1 683 . 1 1 163 163 GLN N N 15 119.700 0.3 . 1 . . . . 594 GLN N . 18741 1 684 . 1 1 164 164 LEU H H 1 8.436 0.020 . 1 . . . . 595 LEU H . 18741 1 685 . 1 1 164 164 LEU C C 13 176.264 0.3 . 1 . . . . 595 LEU C . 18741 1 686 . 1 1 164 164 LEU CA C 13 53.535 0.3 . 1 . . . . 595 LEU CA . 18741 1 687 . 1 1 164 164 LEU CB C 13 41.657 0.3 . 1 . . . . 595 LEU CB . 18741 1 688 . 1 1 164 164 LEU N N 15 123.643 0.3 . 1 . . . . 595 LEU N . 18741 1 689 . 1 1 165 165 SER H H 1 9.338 0.020 . 1 . . . . 596 SER H . 18741 1 690 . 1 1 165 165 SER C C 13 175.099 0.3 . 1 . . . . 596 SER C . 18741 1 691 . 1 1 165 165 SER CA C 13 55.786 0.3 . 1 . . . . 596 SER CA . 18741 1 692 . 1 1 165 165 SER CB C 13 65.150 0.3 . 1 . . . . 596 SER CB . 18741 1 693 . 1 1 165 165 SER N N 15 120.373 0.3 . 1 . . . . 596 SER N . 18741 1 694 . 1 1 166 166 SER H H 1 8.978 0.020 . 1 . . . . 597 SER H . 18741 1 695 . 1 1 166 166 SER C C 13 176.320 0.3 . 1 . . . . 597 SER C . 18741 1 696 . 1 1 166 166 SER CA C 13 61.844 0.3 . 1 . . . . 597 SER CA . 18741 1 697 . 1 1 166 166 SER CB C 13 65.220 0.3 . 1 . . . . 597 SER CB . 18741 1 698 . 1 1 166 166 SER N N 15 117.204 0.3 . 1 . . . . 597 SER N . 18741 1 699 . 1 1 167 167 LYS H H 1 8.047 0.020 . 1 . . . . 598 LYS H . 18741 1 700 . 1 1 167 167 LYS C C 13 178.382 0.3 . 1 . . . . 598 LYS C . 18741 1 701 . 1 1 167 167 LYS CA C 13 58.847 0.3 . 1 . . . . 598 LYS CA . 18741 1 702 . 1 1 167 167 LYS CB C 13 30.614 0.3 . 1 . . . . 598 LYS CB . 18741 1 703 . 1 1 167 167 LYS N N 15 121.112 0.3 . 1 . . . . 598 LYS N . 18741 1 704 . 1 1 168 168 ASP H H 1 7.659 0.020 . 1 . . . . 599 ASP H . 18741 1 705 . 1 1 168 168 ASP C C 13 178.721 0.3 . 1 . . . . 599 ASP C . 18741 1 706 . 1 1 168 168 ASP CA C 13 56.746 0.3 . 1 . . . . 599 ASP CA . 18741 1 707 . 1 1 168 168 ASP CB C 13 40.250 0.3 . 1 . . . . 599 ASP CB . 18741 1 708 . 1 1 168 168 ASP N N 15 120.795 0.3 . 1 . . . . 599 ASP N . 18741 1 709 . 1 1 169 169 LEU H H 1 7.739 0.020 . 1 . . . . 600 LEU H . 18741 1 710 . 1 1 169 169 LEU C C 13 178.570 0.3 . 1 . . . . 600 LEU C . 18741 1 711 . 1 1 169 169 LEU CA C 13 57.316 0.3 . 1 . . . . 600 LEU CA . 18741 1 712 . 1 1 169 169 LEU CB C 13 39.406 0.3 . 1 . . . . 600 LEU CB . 18741 1 713 . 1 1 169 169 LEU N N 15 120.373 0.3 . 1 . . . . 600 LEU N . 18741 1 714 . 1 1 170 170 VAL H H 1 8.136 0.020 . 1 . . . . 601 VAL H . 18741 1 715 . 1 1 170 170 VAL C C 13 177.471 0.3 . 1 . . . . 601 VAL C . 18741 1 716 . 1 1 170 170 VAL CA C 13 65.629 0.3 . 1 . . . . 601 VAL CA . 18741 1 717 . 1 1 170 170 VAL CB C 13 30.122 0.3 . 1 . . . . 601 VAL CB . 18741 1 718 . 1 1 170 170 VAL N N 15 117.025 0.3 . 1 . . . . 601 VAL N . 18741 1 719 . 1 1 171 171 SER H H 1 8.103 0.020 . 1 . . . . 602 SER H . 18741 1 720 . 1 1 171 171 SER C C 13 176.857 0.3 . 1 . . . . 602 SER C . 18741 1 721 . 1 1 171 171 SER CA C 13 61.087 0.3 . 1 . . . . 602 SER CA . 18741 1 722 . 1 1 171 171 SER CB C 13 61.703 0.3 . 1 . . . . 602 SER CB . 18741 1 723 . 1 1 171 171 SER N N 15 115.682 0.3 . 1 . . . . 602 SER N . 18741 1 724 . 1 1 172 172 CYS H H 1 7.930 0.020 . 1 . . . . 603 CYS H . 18741 1 725 . 1 1 172 172 CYS C C 13 175.014 0.3 . 1 . . . . 603 CYS C . 18741 1 726 . 1 1 172 172 CYS CA C 13 62.808 0.3 . 1 . . . . 603 CYS CA . 18741 1 727 . 1 1 172 172 CYS CB C 13 25.339 0.3 . 1 . . . . 603 CYS CB . 18741 1 728 . 1 1 172 172 CYS N N 15 120.057 0.3 . 1 . . . . 603 CYS N . 18741 1 729 . 1 1 173 173 ALA H H 1 7.510 0.020 . 1 . . . . 604 ALA H . 18741 1 730 . 1 1 173 173 ALA C C 13 178.064 0.3 . 1 . . . . 604 ALA C . 18741 1 731 . 1 1 173 173 ALA CA C 13 54.765 0.3 . 1 . . . . 604 ALA CA . 18741 1 732 . 1 1 173 173 ALA CB C 13 17.179 0.3 . 1 . . . . 604 ALA CB . 18741 1 733 . 1 1 173 173 ALA N N 15 119.895 0.3 . 1 . . . . 604 ALA N . 18741 1 734 . 1 1 174 174 TYR C C 13 173.782 0.3 . 1 . . . . 605 TYR C . 18741 1 735 . 1 1 174 174 TYR CA C 13 57.736 0.3 . 1 . . . . 605 TYR CA . 18741 1 736 . 1 1 175 175 GLN H H 1 7.814 0.020 . 1 . . . . 606 GLN H . 18741 1 737 . 1 1 175 175 GLN C C 13 176.981 0.3 . 1 . . . . 606 GLN C . 18741 1 738 . 1 1 175 175 GLN CA C 13 55.305 0.3 . 1 . . . . 606 GLN CA . 18741 1 739 . 1 1 175 175 GLN N N 15 121.032 0.3 . 1 . . . . 606 GLN N . 18741 1 740 . 1 1 176 176 VAL H H 1 8.032 0.020 . 1 . . . . 607 VAL H . 18741 1 741 . 1 1 176 176 VAL C C 13 176.424 0.3 . 1 . . . . 607 VAL C . 18741 1 742 . 1 1 176 176 VAL CA C 13 61.668 0.3 . 1 . . . . 607 VAL CA . 18741 1 743 . 1 1 176 176 VAL CB C 13 31.177 0.3 . 1 . . . . 607 VAL CB . 18741 1 744 . 1 1 176 176 VAL N N 15 125.678 0.3 . 1 . . . . 607 VAL N . 18741 1 745 . 1 1 177 177 ALA H H 1 8.165 0.020 . 1 . . . . 608 ALA H . 18741 1 746 . 1 1 177 177 ALA CA C 13 51.344 0.3 . 1 . . . . 608 ALA CA . 18741 1 747 . 1 1 177 177 ALA CB C 13 17.109 0.3 . 1 . . . . 608 ALA CB . 18741 1 748 . 1 1 177 177 ALA N N 15 126.067 0.3 . 1 . . . . 608 ALA N . 18741 1 749 . 1 1 179 179 GLY CA C 13 44.378 0.3 . 1 . . . . 610 GLY CA . 18741 1 750 . 1 1 180 180 MET H H 1 7.892 0.020 . 1 . . . . 611 MET H . 18741 1 751 . 1 1 180 180 MET C C 13 175.619 0.3 . 1 . . . . 611 MET C . 18741 1 752 . 1 1 180 180 MET CA C 13 54.618 0.3 . 1 . . . . 611 MET CA . 18741 1 753 . 1 1 180 180 MET N N 15 119.830 0.3 . 1 . . . . 611 MET N . 18741 1 754 . 1 1 181 181 GLU H H 1 7.415 0.020 . 1 . . . . 612 GLU H . 18741 1 755 . 1 1 181 181 GLU C C 13 180.097 0.3 . 1 . . . . 612 GLU C . 18741 1 756 . 1 1 181 181 GLU CA C 13 57.849 0.3 . 1 . . . . 612 GLU CA . 18741 1 757 . 1 1 181 181 GLU N N 15 124.383 0.3 . 1 . . . . 612 GLU N . 18741 1 758 . 1 1 183 183 LEU C C 13 179.374 0.3 . 1 . . . . 614 LEU C . 18741 1 759 . 1 1 183 183 LEU CA C 13 57.586 0.3 . 1 . . . . 614 LEU CA . 18741 1 760 . 1 1 184 184 ALA H H 1 9.056 0.020 . 1 . . . . 615 ALA H . 18741 1 761 . 1 1 184 184 ALA C C 13 181.355 0.3 . 1 . . . . 615 ALA C . 18741 1 762 . 1 1 184 184 ALA CA C 13 54.105 0.3 . 1 . . . . 615 ALA CA . 18741 1 763 . 1 1 184 184 ALA CB C 13 15.280 0.3 . 1 . . . . 615 ALA CB . 18741 1 764 . 1 1 184 184 ALA N N 15 121.864 0.3 . 1 . . . . 615 ALA N . 18741 1 765 . 1 1 185 185 SER H H 1 7.866 0.020 . 1 . . . . 616 SER H . 18741 1 766 . 1 1 185 185 SER C C 13 174.876 0.3 . 1 . . . . 616 SER C . 18741 1 767 . 1 1 185 185 SER CA C 13 60.317 0.3 . 1 . . . . 616 SER CA . 18741 1 768 . 1 1 185 185 SER CB C 13 61.070 0.3 . 1 . . . . 616 SER CB . 18741 1 769 . 1 1 185 185 SER N N 15 117.887 0.3 . 1 . . . . 616 SER N . 18741 1 770 . 1 1 186 186 LYS H H 1 6.999 0.020 . 1 . . . . 617 LYS H . 18741 1 771 . 1 1 186 186 LYS C C 13 174.929 0.3 . 1 . . . . 617 LYS C . 18741 1 772 . 1 1 186 186 LYS CA C 13 52.334 0.3 . 1 . . . . 617 LYS CA . 18741 1 773 . 1 1 186 186 LYS CB C 13 29.137 0.3 . 1 . . . . 617 LYS CB . 18741 1 774 . 1 1 186 186 LYS N N 15 121.833 0.3 . 1 . . . . 617 LYS N . 18741 1 775 . 1 1 187 187 LYS H H 1 7.849 0.020 . 1 . . . . 618 LYS H . 18741 1 776 . 1 1 187 187 LYS C C 13 180.649 0.3 . 1 . . . . 618 LYS C . 18741 1 777 . 1 1 187 187 LYS CA C 13 56.326 0.3 . 1 . . . . 618 LYS CA . 18741 1 778 . 1 1 187 187 LYS CB C 13 27.027 0.3 . 1 . . . . 618 LYS CB . 18741 1 779 . 1 1 187 187 LYS N N 15 113.201 0.3 . 1 . . . . 618 LYS N . 18741 1 780 . 1 1 188 188 CYS H H 1 8.113 0.020 . 1 . . . . 619 CYS H . 18741 1 781 . 1 1 188 188 CYS C C 13 172.895 0.3 . 1 . . . . 619 CYS C . 18741 1 782 . 1 1 188 188 CYS CA C 13 57.526 0.3 . 1 . . . . 619 CYS CA . 18741 1 783 . 1 1 188 188 CYS CB C 13 26.534 0.3 . 1 . . . . 619 CYS CB . 18741 1 784 . 1 1 188 188 CYS N N 15 120.231 0.3 . 1 . . . . 619 CYS N . 18741 1 785 . 1 1 189 189 ILE H H 1 8.238 0.020 . 1 . . . . 620 ILE H . 18741 1 786 . 1 1 189 189 ILE C C 13 175.522 0.3 . 1 . . . . 620 ILE C . 18741 1 787 . 1 1 189 189 ILE CA C 13 59.477 0.3 . 1 . . . . 620 ILE CA . 18741 1 788 . 1 1 189 189 ILE CB C 13 37.648 0.3 . 1 . . . . 620 ILE CB . 18741 1 789 . 1 1 189 189 ILE N N 15 131.326 0.3 . 1 . . . . 620 ILE N . 18741 1 790 . 1 1 190 190 HIS H H 1 11.344 0.020 . 1 . . . . 621 HIS H . 18741 1 791 . 1 1 190 190 HIS C C 13 177.497 0.3 . 1 . . . . 621 HIS C . 18741 1 792 . 1 1 190 190 HIS CA C 13 62.328 0.3 . 1 . . . . 621 HIS CA . 18741 1 793 . 1 1 190 190 HIS N N 15 106.928 0.3 . 1 . . . . 621 HIS N . 18741 1 794 . 1 1 191 191 ARG H H 1 8.802 0.020 . 1 . . . . 622 ARG H . 18741 1 795 . 1 1 191 191 ARG C C 13 177.662 0.3 . 1 . . . . 622 ARG C . 18741 1 796 . 1 1 191 191 ARG CA C 13 59.267 0.3 . 1 . . . . 622 ARG CA . 18741 1 797 . 1 1 191 191 ARG N N 15 108.278 0.3 . 1 . . . . 622 ARG N . 18741 1 798 . 1 1 192 192 ALA H H 1 10.032 0.020 . 1 . . . . 623 ALA H . 18741 1 799 . 1 1 192 192 ALA C C 13 176.032 0.3 . 1 . . . . 623 ALA C . 18741 1 800 . 1 1 192 192 ALA CA C 13 49.513 0.3 . 1 . . . . 623 ALA CA . 18741 1 801 . 1 1 192 192 ALA N N 15 129.632 0.3 . 1 . . . . 623 ALA N . 18741 1 802 . 1 1 193 193 LEU H H 1 8.812 0.020 . 1 . . . . 624 LEU H . 18741 1 803 . 1 1 193 193 LEU C C 13 172.832 0.3 . 1 . . . . 624 LEU C . 18741 1 804 . 1 1 193 193 LEU CA C 13 56.566 0.3 . 1 . . . . 624 LEU CA . 18741 1 805 . 1 1 193 193 LEU CB C 13 39.476 0.3 . 1 . . . . 624 LEU CB . 18741 1 806 . 1 1 193 193 LEU N N 15 125.648 0.3 . 1 . . . . 624 LEU N . 18741 1 807 . 1 1 194 194 ALA H H 1 6.582 0.020 . 1 . . . . 625 ALA H . 18741 1 808 . 1 1 194 194 ALA C C 13 177.111 0.3 . 1 . . . . 625 ALA C . 18741 1 809 . 1 1 194 194 ALA CA C 13 50.714 0.3 . 1 . . . . 625 ALA CA . 18741 1 810 . 1 1 194 194 ALA CB C 13 18.797 0.3 . 1 . . . . 625 ALA CB . 18741 1 811 . 1 1 194 194 ALA N N 15 122.849 0.3 . 1 . . . . 625 ALA N . 18741 1 812 . 1 1 195 195 ALA H H 1 10.312 0.020 . 1 . . . . 626 ALA H . 18741 1 813 . 1 1 195 195 ALA C C 13 178.531 0.3 . 1 . . . . 626 ALA C . 18741 1 814 . 1 1 195 195 ALA CA C 13 55.576 0.3 . 1 . . . . 626 ALA CA . 18741 1 815 . 1 1 195 195 ALA CB C 13 14.155 0.3 . 1 . . . . 626 ALA CB . 18741 1 816 . 1 1 195 195 ALA N N 15 127.215 0.3 . 1 . . . . 626 ALA N . 18741 1 817 . 1 1 196 196 ARG H H 1 8.945 0.020 . 1 . . . . 627 ARG H . 18741 1 818 . 1 1 196 196 ARG C C 13 174.823 0.3 . 1 . . . . 627 ARG C . 18741 1 819 . 1 1 196 196 ARG CA C 13 57.046 0.3 . 1 . . . . 627 ARG CA . 18741 1 820 . 1 1 196 196 ARG CB C 13 27.589 0.3 . 1 . . . . 627 ARG CB . 18741 1 821 . 1 1 196 196 ARG N N 15 114.445 0.3 . 1 . . . . 627 ARG N . 18741 1 822 . 1 1 197 197 ASN H H 1 7.604 0.020 . 1 . . . . 628 ASN H . 18741 1 823 . 1 1 197 197 ASN C C 13 171.306 0.3 . 1 . . . . 628 ASN C . 18741 1 824 . 1 1 197 197 ASN CA C 13 51.584 0.3 . 1 . . . . 628 ASN CA . 18741 1 825 . 1 1 197 197 ASN CB C 13 37.648 0.3 . 1 . . . . 628 ASN CB . 18741 1 826 . 1 1 197 197 ASN N N 15 115.420 0.3 . 1 . . . . 628 ASN N . 18741 1 827 . 1 1 198 198 VAL H H 1 7.377 0.020 . 1 . . . . 629 VAL H . 18741 1 828 . 1 1 198 198 VAL C C 13 172.916 0.3 . 1 . . . . 629 VAL C . 18741 1 829 . 1 1 198 198 VAL CA C 13 60.767 0.3 . 1 . . . . 629 VAL CA . 18741 1 830 . 1 1 198 198 VAL CB C 13 31.739 0.3 . 1 . . . . 629 VAL CB . 18741 1 831 . 1 1 198 198 VAL N N 15 119.962 0.3 . 1 . . . . 629 VAL N . 18741 1 832 . 1 1 199 199 LEU C C 13 177.847 0.3 . 1 . . . . 630 LEU C . 18741 1 833 . 1 1 199 199 LEU CA C 13 59.807 0.3 . 1 . . . . 630 LEU CA . 18741 1 834 . 1 1 199 199 LEU CB C 13 40.531 0.3 . 1 . . . . 630 LEU CB . 18741 1 835 . 1 1 200 200 VAL H H 1 8.865 0.020 . 1 . . . . 631 VAL H . 18741 1 836 . 1 1 200 200 VAL C C 13 175.784 0.3 . 1 . . . . 631 VAL C . 18741 1 837 . 1 1 200 200 VAL CA C 13 63.558 0.3 . 1 . . . . 631 VAL CA . 18741 1 838 . 1 1 200 200 VAL CB C 13 31.739 0.3 . 1 . . . . 631 VAL CB . 18741 1 839 . 1 1 200 200 VAL N N 15 117.722 0.3 . 1 . . . . 631 VAL N . 18741 1 840 . 1 1 201 201 THR H H 1 8.308 0.020 . 1 . . . . 632 THR H . 18741 1 841 . 1 1 201 201 THR C C 13 175.371 0.3 . 1 . . . . 632 THR C . 18741 1 842 . 1 1 201 201 THR CA C 13 60.137 0.3 . 1 . . . . 632 THR CA . 18741 1 843 . 1 1 201 201 THR CB C 13 70.566 0.3 . 1 . . . . 632 THR CB . 18741 1 844 . 1 1 201 201 THR N N 15 115.666 0.3 . 1 . . . . 632 THR N . 18741 1 845 . 1 1 202 202 GLU H H 1 8.311 0.020 . 1 . . . . 633 GLU H . 18741 1 846 . 1 1 202 202 GLU C C 13 175.501 0.3 . 1 . . . . 633 GLU C . 18741 1 847 . 1 1 202 202 GLU CA C 13 57.916 0.3 . 1 . . . . 633 GLU CA . 18741 1 848 . 1 1 202 202 GLU CB C 13 28.222 0.3 . 1 . . . . 633 GLU CB . 18741 1 849 . 1 1 202 202 GLU N N 15 119.007 0.3 . 1 . . . . 633 GLU N . 18741 1 850 . 1 1 203 203 ASP H H 1 7.697 0.020 . 1 . . . . 634 ASP H . 18741 1 851 . 1 1 203 203 ASP C C 13 173.976 0.3 . 1 . . . . 634 ASP C . 18741 1 852 . 1 1 203 203 ASP CA C 13 51.823 0.3 . 1 . . . . 634 ASP CA . 18741 1 853 . 1 1 203 203 ASP CB C 13 38.210 0.3 . 1 . . . . 634 ASP CB . 18741 1 854 . 1 1 203 203 ASP N N 15 113.925 0.3 . 1 . . . . 634 ASP N . 18741 1 855 . 1 1 204 204 ASN H H 1 8.055 0.020 . 1 . . . . 635 ASN H . 18741 1 856 . 1 1 204 204 ASN C C 13 173.065 0.3 . 1 . . . . 635 ASN C . 18741 1 857 . 1 1 204 204 ASN CA C 13 53.565 0.3 . 1 . . . . 635 ASN CA . 18741 1 858 . 1 1 204 204 ASN CB C 13 34.693 0.3 . 1 . . . . 635 ASN CB . 18741 1 859 . 1 1 204 204 ASN N N 15 115.521 0.3 . 1 . . . . 635 ASN N . 18741 1 860 . 1 1 205 205 VAL H H 1 7.404 0.020 . 1 . . . . 636 VAL H . 18741 1 861 . 1 1 205 205 VAL C C 13 175.543 0.3 . 1 . . . . 636 VAL C . 18741 1 862 . 1 1 205 205 VAL CA C 13 60.948 0.3 . 1 . . . . 636 VAL CA . 18741 1 863 . 1 1 205 205 VAL CB C 13 30.333 0.3 . 1 . . . . 636 VAL CB . 18741 1 864 . 1 1 205 205 VAL N N 15 119.981 0.3 . 1 . . . . 636 VAL N . 18741 1 865 . 1 1 206 206 MET H H 1 7.563 0.020 . 1 . . . . 637 MET H . 18741 1 866 . 1 1 206 206 MET C C 13 175.692 0.3 . 1 . . . . 637 MET C . 18741 1 867 . 1 1 206 206 MET CA C 13 51.824 0.3 . 1 . . . . 637 MET CA . 18741 1 868 . 1 1 206 206 MET CB C 13 31.880 0.3 . 1 . . . . 637 MET CB . 18741 1 869 . 1 1 206 206 MET N N 15 122.743 0.3 . 1 . . . . 637 MET N . 18741 1 870 . 1 1 208 208 ILE H H 1 7.605 0.020 . 1 . . . . 639 ILE H . 18741 1 871 . 1 1 208 208 ILE C C 13 173.535 0.3 . 1 . . . . 639 ILE C . 18741 1 872 . 1 1 208 208 ILE CA C 13 62.598 0.3 . 1 . . . . 639 ILE CA . 18741 1 873 . 1 1 208 208 ILE CB C 13 36.815 0.3 . 1 . . . . 639 ILE CB . 18741 1 874 . 1 1 208 208 ILE N N 15 134.683 0.3 . 1 . . . . 639 ILE N . 18741 1 875 . 1 1 209 209 ALA H H 1 8.674 0.020 . 1 . . . . 640 ALA H . 18741 1 876 . 1 1 209 209 ALA C C 13 176.730 0.3 . 1 . . . . 640 ALA C . 18741 1 877 . 1 1 209 209 ALA CA C 13 49.453 0.3 . 1 . . . . 640 ALA CA . 18741 1 878 . 1 1 209 209 ALA CB C 13 21.259 0.3 . 1 . . . . 640 ALA CB . 18741 1 879 . 1 1 209 209 ALA N N 15 129.419 0.3 . 1 . . . . 640 ALA N . 18741 1 880 . 1 1 210 210 ASP H H 1 8.757 0.020 . 1 . . . . 641 ASP H . 18741 1 881 . 1 1 210 210 ASP CA C 13 54.585 0.3 . 1 . . . . 641 ASP CA . 18741 1 882 . 1 1 210 210 ASP CB C 13 37.085 0.3 . 1 . . . . 641 ASP CB . 18741 1 883 . 1 1 210 210 ASP N N 15 115.623 0.3 . 1 . . . . 641 ASP N . 18741 1 884 . 1 1 211 211 PHE H H 1 7.928 0.020 . 9 . . . . 642 PHE H . 18741 1 885 . 1 1 211 211 PHE C C 13 174.608 0.3 . 9 . . . . 642 PHE C . 18741 1 886 . 1 1 211 211 PHE CA C 13 56.817 0.3 . 9 . . . . 642 PHE CA . 18741 1 887 . 1 1 211 211 PHE N N 15 120.205 0.3 . 9 . . . . 642 PHE N . 18741 1 888 . 1 1 212 212 GLY H H 1 7.997 0.020 . 1 . . . . 643 GLY H . 18741 1 889 . 1 1 212 212 GLY C C 13 172.535 0.3 . 1 . . . . 643 GLY C . 18741 1 890 . 1 1 212 212 GLY CA C 13 44.378 0.3 . 1 . . . . 643 GLY CA . 18741 1 891 . 1 1 212 212 GLY N N 15 109.085 0.3 . 1 . . . . 643 GLY N . 18741 1 892 . 1 1 233 233 VAL C C 13 177.600 0.3 . 1 . . . . 664 VAL C . 18741 1 893 . 1 1 233 233 VAL CA C 13 64.819 0.3 . 1 . . . . 664 VAL CA . 18741 1 894 . 1 1 233 233 VAL CB C 13 30.895 0.3 . 1 . . . . 664 VAL CB . 18741 1 895 . 1 1 234 234 LYS H H 1 8.694 0.020 . 1 . . . . 665 LYS H . 18741 1 896 . 1 1 234 234 LYS C C 13 174.484 0.3 . 1 . . . . 665 LYS C . 18741 1 897 . 1 1 234 234 LYS CA C 13 58.847 0.3 . 1 . . . . 665 LYS CA . 18741 1 898 . 1 1 234 234 LYS CB C 13 30.051 0.3 . 1 . . . . 665 LYS CB . 18741 1 899 . 1 1 234 234 LYS N N 15 116.744 0.3 . 1 . . . . 665 LYS N . 18741 1 900 . 1 1 235 235 TRP H H 1 8.281 0.020 . 1 . . . . 666 TRP H . 18741 1 901 . 1 1 235 235 TRP C C 13 175.183 0.3 . 1 . . . . 666 TRP C . 18741 1 902 . 1 1 235 235 TRP CA C 13 59.597 0.3 . 1 . . . . 666 TRP CA . 18741 1 903 . 1 1 235 235 TRP CB C 13 31.247 0.3 . 1 . . . . 666 TRP CB . 18741 1 904 . 1 1 235 235 TRP N N 15 121.049 0.3 . 1 . . . . 666 TRP N . 18741 1 905 . 1 1 236 236 MET H H 1 7.316 0.020 . 1 . . . . 667 MET H . 18741 1 906 . 1 1 236 236 MET C C 13 173.594 0.3 . 1 . . . . 667 MET C . 18741 1 907 . 1 1 236 236 MET CA C 13 54.915 0.3 . 1 . . . . 667 MET CA . 18741 1 908 . 1 1 236 236 MET CB C 13 33.568 0.3 . 1 . . . . 667 MET CB . 18741 1 909 . 1 1 236 236 MET N N 15 120.796 0.3 . 1 . . . . 667 MET N . 18741 1 910 . 1 1 237 237 ALA H H 1 8.216 0.020 . 1 . . . . 668 ALA H . 18741 1 911 . 1 1 237 237 ALA C C 13 175.671 0.3 . 1 . . . . 668 ALA C . 18741 1 912 . 1 1 237 237 ALA CA C 13 48.313 0.3 . 1 . . . . 668 ALA CA . 18741 1 913 . 1 1 237 237 ALA CB C 13 16.687 0.3 . 1 . . . . 668 ALA CB . 18741 1 914 . 1 1 237 237 ALA N N 15 123.960 0.3 . 1 . . . . 668 ALA N . 18741 1 915 . 1 1 238 238 PRO C C 13 176.486 0.3 . 1 . . . . 669 PRO C . 18741 1 916 . 1 1 238 238 PRO CA C 13 64.609 0.3 . 1 . . . . 669 PRO CA . 18741 1 917 . 1 1 238 238 PRO CB C 13 29.700 0.3 . 1 . . . . 669 PRO CB . 18741 1 918 . 1 1 239 239 GLU H H 1 9.096 0.020 . 1 . . . . 670 GLU H . 18741 1 919 . 1 1 239 239 GLU C C 13 177.302 0.3 . 1 . . . . 670 GLU C . 18741 1 920 . 1 1 239 239 GLU CA C 13 57.646 0.3 . 1 . . . . 670 GLU CA . 18741 1 921 . 1 1 239 239 GLU CB C 13 24.706 0.3 . 1 . . . . 670 GLU CB . 18741 1 922 . 1 1 239 239 GLU N N 15 114.712 0.3 . 1 . . . . 670 GLU N . 18741 1 923 . 1 1 240 240 ALA H H 1 6.729 0.020 . 1 . . . . 671 ALA H . 18741 1 924 . 1 1 240 240 ALA C C 13 178.382 0.3 . 1 . . . . 671 ALA C . 18741 1 925 . 1 1 240 240 ALA CA C 13 53.715 0.3 . 1 . . . . 671 ALA CA . 18741 1 926 . 1 1 240 240 ALA CB C 13 16.546 0.3 . 1 . . . . 671 ALA CB . 18741 1 927 . 1 1 240 240 ALA N N 15 126.078 0.3 . 1 . . . . 671 ALA N . 18741 1 928 . 1 1 241 241 LEU H H 1 7.362 0.020 . 1 . . . . 672 LEU H . 18741 1 929 . 1 1 241 241 LEU C C 13 178.531 0.3 . 1 . . . . 672 LEU C . 18741 1 930 . 1 1 241 241 LEU CA C 13 56.356 0.3 . 1 . . . . 672 LEU CA . 18741 1 931 . 1 1 241 241 LEU CB C 13 41.165 0.3 . 1 . . . . 672 LEU CB . 18741 1 932 . 1 1 241 241 LEU N N 15 118.680 0.3 . 1 . . . . 672 LEU N . 18741 1 933 . 1 1 242 242 PHE H H 1 8.253 0.020 . 1 . . . . 673 PHE H . 18741 1 934 . 1 1 242 242 PHE C C 13 176.793 0.3 . 1 . . . . 673 PHE C . 18741 1 935 . 1 1 242 242 PHE CA C 13 58.096 0.3 . 1 . . . . 673 PHE CA . 18741 1 936 . 1 1 242 242 PHE CB C 13 37.718 0.3 . 1 . . . . 673 PHE CB . 18741 1 937 . 1 1 242 242 PHE N N 15 114.158 0.3 . 1 . . . . 673 PHE N . 18741 1 938 . 1 1 243 243 ASP H H 1 6.908 0.020 . 1 . . . . 674 ASP H . 18741 1 939 . 1 1 243 243 ASP C C 13 174.802 0.3 . 1 . . . . 674 ASP C . 18741 1 940 . 1 1 243 243 ASP CA C 13 53.595 0.3 . 1 . . . . 674 ASP CA . 18741 1 941 . 1 1 243 243 ASP CB C 13 41.727 0.3 . 1 . . . . 674 ASP CB . 18741 1 942 . 1 1 243 243 ASP N N 15 115.552 0.3 . 1 . . . . 674 ASP N . 18741 1 943 . 1 1 244 244 ARG H H 1 7.111 0.020 . 1 . . . . 675 ARG H . 18741 1 944 . 1 1 244 244 ARG C C 13 174.174 0.3 . 1 . . . . 675 ARG C . 18741 1 945 . 1 1 244 244 ARG CA C 13 56.086 0.3 . 1 . . . . 675 ARG CA . 18741 1 946 . 1 1 244 244 ARG CB C 13 25.198 0.3 . 1 . . . . 675 ARG CB . 18741 1 947 . 1 1 244 244 ARG N N 15 114.564 0.3 . 1 . . . . 675 ARG N . 18741 1 948 . 1 1 245 245 ILE H H 1 7.391 0.020 . 1 . . . . 676 ILE H . 18741 1 949 . 1 1 245 245 ILE C C 13 173.234 0.3 . 1 . . . . 676 ILE C . 18741 1 950 . 1 1 245 245 ILE CA C 13 59.567 0.3 . 1 . . . . 676 ILE CA . 18741 1 951 . 1 1 245 245 ILE CB C 13 37.155 0.3 . 1 . . . . 676 ILE CB . 18741 1 952 . 1 1 245 245 ILE N N 15 120.643 0.3 . 1 . . . . 676 ILE N . 18741 1 953 . 1 1 246 246 TYR H H 1 7.842 0.020 . 1 . . . . 677 TYR H . 18741 1 954 . 1 1 246 246 TYR C C 13 175.734 0.3 . 1 . . . . 677 TYR C . 18741 1 955 . 1 1 246 246 TYR CA C 13 55.365 0.3 . 1 . . . . 677 TYR CA . 18741 1 956 . 1 1 246 246 TYR CB C 13 38.843 0.3 . 1 . . . . 677 TYR CB . 18741 1 957 . 1 1 246 246 TYR N N 15 123.960 0.3 . 1 . . . . 677 TYR N . 18741 1 958 . 1 1 247 247 THR H H 1 9.357 0.020 . 1 . . . . 678 THR H . 18741 1 959 . 1 1 247 247 THR C C 13 175.692 0.3 . 1 . . . . 678 THR C . 18741 1 960 . 1 1 247 247 THR CA C 13 59.387 0.3 . 1 . . . . 678 THR CA . 18741 1 961 . 1 1 247 247 THR CB C 13 73.449 0.3 . 1 . . . . 678 THR CB . 18741 1 962 . 1 1 247 247 THR N N 15 114.059 0.3 . 1 . . . . 678 THR N . 18741 1 963 . 1 1 248 248 HIS H H 1 7.531 0.020 . 1 . . . . 679 HIS H . 18741 1 964 . 1 1 248 248 HIS C C 13 180.200 0.3 . 1 . . . . 679 HIS C . 18741 1 965 . 1 1 248 248 HIS CA C 13 57.106 0.3 . 1 . . . . 679 HIS CA . 18741 1 966 . 1 1 248 248 HIS CB C 13 26.816 0.3 . 1 . . . . 679 HIS CB . 18741 1 967 . 1 1 248 248 HIS N N 15 112.927 0.3 . 1 . . . . 679 HIS N . 18741 1 968 . 1 1 249 249 GLN C C 13 180.613 0.3 . 1 . . . . 680 GLN C . 18741 1 969 . 1 1 249 249 GLN CA C 13 57.076 0.3 . 1 . . . . 680 GLN CA . 18741 1 970 . 1 1 249 249 GLN CB C 13 28.152 0.3 . 1 . . . . 680 GLN CB . 18741 1 971 . 1 1 250 250 SER H H 1 8.467 0.020 . 1 . . . . 681 SER H . 18741 1 972 . 1 1 250 250 SER C C 13 178.466 0.3 . 1 . . . . 681 SER C . 18741 1 973 . 1 1 250 250 SER CA C 13 61.308 0.3 . 1 . . . . 681 SER CA . 18741 1 974 . 1 1 250 250 SER CB C 13 60.437 0.3 . 1 . . . . 681 SER CB . 18741 1 975 . 1 1 250 250 SER N N 15 121.149 0.3 . 1 . . . . 681 SER N . 18741 1 976 . 1 1 251 251 ASP H H 1 7.663 0.020 . 1 . . . . 682 ASP H . 18741 1 977 . 1 1 251 251 ASP C C 13 178.658 0.3 . 1 . . . . 682 ASP C . 18741 1 978 . 1 1 251 251 ASP CA C 13 57.316 0.3 . 1 . . . . 682 ASP CA . 18741 1 979 . 1 1 251 251 ASP CB C 13 39.406 0.3 . 1 . . . . 682 ASP CB . 18741 1 980 . 1 1 251 251 ASP N N 15 126.279 0.3 . 1 . . . . 682 ASP N . 18741 1 981 . 1 1 252 252 VAL H H 1 7.703 0.020 . 1 . . . . 683 VAL H . 18741 1 982 . 1 1 252 252 VAL C C 13 177.471 0.3 . 1 . . . . 683 VAL C . 18741 1 983 . 1 1 252 252 VAL CA C 13 66.800 0.3 . 1 . . . . 683 VAL CA . 18741 1 984 . 1 1 252 252 VAL CB C 13 29.700 0.3 . 1 . . . . 683 VAL CB . 18741 1 985 . 1 1 252 252 VAL N N 15 123.010 0.3 . 1 . . . . 683 VAL N . 18741 1 986 . 1 1 253 253 TRP H H 1 7.208 0.020 . 1 . . . . 684 TRP H . 18741 1 987 . 1 1 253 253 TRP C C 13 179.590 0.3 . 1 . . . . 684 TRP C . 18741 1 988 . 1 1 253 253 TRP CA C 13 60.948 0.3 . 1 . . . . 684 TRP CA . 18741 1 989 . 1 1 253 253 TRP CB C 13 26.956 0.3 . 1 . . . . 684 TRP CB . 18741 1 990 . 1 1 253 253 TRP N N 15 121.349 0.3 . 1 . . . . 684 TRP N . 18741 1 991 . 1 1 254 254 SER H H 1 8.264 0.020 . 1 . . . . 685 SER H . 18741 1 992 . 1 1 254 254 SER C C 13 175.970 0.3 . 1 . . . . 685 SER C . 18741 1 993 . 1 1 254 254 SER CA C 13 61.788 0.3 . 1 . . . . 685 SER CA . 18741 1 994 . 1 1 254 254 SER CB C 13 62.758 0.3 . 1 . . . . 685 SER CB . 18741 1 995 . 1 1 254 254 SER N N 15 115.412 0.3 . 1 . . . . 685 SER N . 18741 1 996 . 1 1 255 255 PHE H H 1 9.094 0.020 . 1 . . . . 686 PHE H . 18741 1 997 . 1 1 255 255 PHE C C 13 175.882 0.3 . 1 . . . . 686 PHE C . 18741 1 998 . 1 1 255 255 PHE CA C 13 61.098 0.3 . 1 . . . . 686 PHE CA . 18741 1 999 . 1 1 255 255 PHE CB C 13 37.718 0.3 . 1 . . . . 686 PHE CB . 18741 1 1000 . 1 1 255 255 PHE N N 15 123.392 0.3 . 1 . . . . 686 PHE N . 18741 1 1001 . 1 1 256 256 GLY H H 1 8.397 0.020 . 1 . . . . 687 GLY H . 18741 1 1002 . 1 1 256 256 GLY C C 13 175.416 0.3 . 1 . . . . 687 GLY C . 18741 1 1003 . 1 1 256 256 GLY CA C 13 46.632 0.3 . 1 . . . . 687 GLY CA . 18741 1 1004 . 1 1 256 256 GLY N N 15 107.612 0.3 . 1 . . . . 687 GLY N . 18741 1 1005 . 1 1 259 259 LEU H H 1 8.791 0.020 . 1 . . . . 690 LEU H . 18741 1 1006 . 1 1 259 259 LEU CA C 13 54.281 0.3 . 1 . . . . 690 LEU CA . 18741 1 1007 . 1 1 259 259 LEU N N 15 120.257 0.3 . 1 . . . . 690 LEU N . 18741 1 1008 . 1 1 263 263 PHE C C 13 175.990 0.3 . 1 . . . . 694 PHE C . 18741 1 1009 . 1 1 263 263 PHE CA C 13 61.698 0.3 . 1 . . . . 694 PHE CA . 18741 1 1010 . 1 1 264 264 THR H H 1 7.343 0.020 . 1 . . . . 695 THR H . 18741 1 1011 . 1 1 264 264 THR C C 13 173.594 0.3 . 1 . . . . 695 THR C . 18741 1 1012 . 1 1 264 264 THR CA C 13 60.948 0.3 . 1 . . . . 695 THR CA . 18741 1 1013 . 1 1 264 264 THR CB C 13 68.104 0.3 . 1 . . . . 695 THR CB . 18741 1 1014 . 1 1 264 264 THR N N 15 109.190 0.3 . 1 . . . . 695 THR N . 18741 1 1015 . 1 1 265 265 LEU H H 1 8.025 0.020 . 1 . . . . 696 LEU H . 18741 1 1016 . 1 1 265 265 LEU C C 13 175.776 0.3 . 1 . . . . 696 LEU C . 18741 1 1017 . 1 1 265 265 LEU CA C 13 55.095 0.3 . 1 . . . . 696 LEU CA . 18741 1 1018 . 1 1 265 265 LEU CB C 13 35.819 0.3 . 1 . . . . 696 LEU CB . 18741 1 1019 . 1 1 265 265 LEU N N 15 121.628 0.3 . 1 . . . . 696 LEU N . 18741 1 1020 . 1 1 266 266 GLY H H 1 9.315 0.020 . 1 . . . . 697 GLY H . 18741 1 1021 . 1 1 266 266 GLY C C 13 175.183 0.3 . 1 . . . . 697 GLY C . 18741 1 1022 . 1 1 266 266 GLY CA C 13 44.892 0.3 . 1 . . . . 697 GLY CA . 18741 1 1023 . 1 1 266 266 GLY N N 15 106.156 0.3 . 1 . . . . 697 GLY N . 18741 1 1024 . 1 1 267 267 GLY H H 1 7.673 0.020 . 1 . . . . 698 GLY H . 18741 1 1025 . 1 1 267 267 GLY C C 13 173.255 0.3 . 1 . . . . 698 GLY C . 18741 1 1026 . 1 1 267 267 GLY CA C 13 44.081 0.3 . 1 . . . . 698 GLY CA . 18741 1 1027 . 1 1 267 267 GLY N N 15 109.177 0.3 . 1 . . . . 698 GLY N . 18741 1 1028 . 1 1 268 268 SER H H 1 8.333 0.020 . 1 . . . . 699 SER H . 18741 1 1029 . 1 1 268 268 SER C C 13 171.815 0.3 . 1 . . . . 699 SER C . 18741 1 1030 . 1 1 268 268 SER CA C 13 54.765 0.3 . 1 . . . . 699 SER CA . 18741 1 1031 . 1 1 268 268 SER CB C 13 62.406 0.3 . 1 . . . . 699 SER CB . 18741 1 1032 . 1 1 268 268 SER N N 15 118.264 0.3 . 1 . . . . 699 SER N . 18741 1 1033 . 1 1 269 269 PRO C C 13 174.401 0.3 . 1 . . . . 700 PRO C . 18741 1 1034 . 1 1 269 269 PRO CA C 13 61.788 0.3 . 1 . . . . 700 PRO CA . 18741 1 1035 . 1 1 269 269 PRO CB C 13 31.177 0.3 . 1 . . . . 700 PRO CB . 18741 1 1036 . 1 1 270 270 TYR H H 1 6.955 0.020 . 1 . . . . 701 TYR H . 18741 1 1037 . 1 1 270 270 TYR C C 13 172.408 0.3 . 1 . . . . 701 TYR C . 18741 1 1038 . 1 1 270 270 TYR CA C 13 56.236 0.3 . 1 . . . . 701 TYR CA . 18741 1 1039 . 1 1 270 270 TYR CB C 13 35.326 0.3 . 1 . . . . 701 TYR CB . 18741 1 1040 . 1 1 270 270 TYR N N 15 115.732 0.3 . 1 . . . . 701 TYR N . 18741 1 1041 . 1 1 272 272 GLY C C 13 173.885 0.3 . 1 . . . . 703 GLY C . 18741 1 1042 . 1 1 272 272 GLY CA C 13 44.815 0.3 . 1 . . . . 703 GLY CA . 18741 1 1043 . 1 1 273 273 VAL H H 1 7.410 0.020 . 1 . . . . 704 VAL H . 18741 1 1044 . 1 1 273 273 VAL C C 13 173.954 0.3 . 1 . . . . 704 VAL C . 18741 1 1045 . 1 1 273 273 VAL CA C 13 59.057 0.3 . 1 . . . . 704 VAL CA . 18741 1 1046 . 1 1 273 273 VAL CB C 13 31.458 0.3 . 1 . . . . 704 VAL CB . 18741 1 1047 . 1 1 273 273 VAL N N 15 122.694 0.3 . 1 . . . . 704 VAL N . 18741 1 1048 . 1 1 274 274 PRO C C 13 178.198 0.3 . 1 . . . . 705 PRO C . 18741 1 1049 . 1 1 274 274 PRO CA C 13 61.458 0.3 . 1 . . . . 705 PRO CA . 18741 1 1050 . 1 1 274 274 PRO CB C 13 31.106 0.3 . 1 . . . . 705 PRO CB . 18741 1 1051 . 1 1 275 275 VAL H H 1 8.546 0.020 . 1 . . . . 706 VAL H . 18741 1 1052 . 1 1 275 275 VAL C C 13 176.200 0.3 . 1 . . . . 706 VAL C . 18741 1 1053 . 1 1 275 275 VAL CA C 13 65.809 0.3 . 1 . . . . 706 VAL CA . 18741 1 1054 . 1 1 275 275 VAL CB C 13 30.051 0.3 . 1 . . . . 706 VAL CB . 18741 1 1055 . 1 1 275 275 VAL N N 15 122.694 0.3 . 1 . . . . 706 VAL N . 18741 1 1056 . 1 1 276 276 GLU H H 1 9.118 0.020 . 1 . . . . 707 GLU H . 18741 1 1057 . 1 1 276 276 GLU C C 13 178.301 0.3 . 1 . . . . 707 GLU C . 18741 1 1058 . 1 1 276 276 GLU CA C 13 58.817 0.3 . 1 . . . . 707 GLU CA . 18741 1 1059 . 1 1 276 276 GLU CB C 13 27.167 0.3 . 1 . . . . 707 GLU CB . 18741 1 1060 . 1 1 276 276 GLU N N 15 117.507 0.3 . 1 . . . . 707 GLU N . 18741 1 1061 . 1 1 277 277 GLU H H 1 7.140 0.020 . 1 . . . . 708 GLU H . 18741 1 1062 . 1 1 277 277 GLU C C 13 174.654 0.3 . 1 . . . . 708 GLU C . 18741 1 1063 . 1 1 277 277 GLU CA C 13 56.056 0.3 . 1 . . . . 708 GLU CA . 18741 1 1064 . 1 1 277 277 GLU CB C 13 28.363 0.3 . 1 . . . . 708 GLU CB . 18741 1 1065 . 1 1 277 277 GLU N N 15 117.806 0.3 . 1 . . . . 708 GLU N . 18741 1 1066 . 1 1 278 278 LEU H H 1 7.545 0.020 . 1 . . . . 709 LEU H . 18741 1 1067 . 1 1 278 278 LEU C C 13 176.981 0.3 . 1 . . . . 709 LEU C . 18741 1 1068 . 1 1 278 278 LEU CA C 13 57.064 0.3 . 1 . . . . 709 LEU CA . 18741 1 1069 . 1 1 278 278 LEU CB C 13 39.998 0.3 . 1 . . . . 709 LEU CB . 18741 1 1070 . 1 1 278 278 LEU N N 15 121.471 0.3 . 1 . . . . 709 LEU N . 18741 1 1071 . 1 1 279 279 PHE H H 1 7.892 0.020 . 1 . . . . 710 PHE H . 18741 1 1072 . 1 1 279 279 PHE C C 13 176.857 0.3 . 1 . . . . 710 PHE C . 18741 1 1073 . 1 1 279 279 PHE CA C 13 59.987 0.3 . 1 . . . . 710 PHE CA . 18741 1 1074 . 1 1 279 279 PHE CB C 13 36.522 0.3 . 1 . . . . 710 PHE CB . 18741 1 1075 . 1 1 279 279 PHE N N 15 115.954 0.3 . 1 . . . . 710 PHE N . 18741 1 1076 . 1 1 280 280 LYS H H 1 7.293 0.020 . 1 . . . . 711 LYS H . 18741 1 1077 . 1 1 280 280 LYS C C 13 178.213 0.3 . 1 . . . . 711 LYS C . 18741 1 1078 . 1 1 280 280 LYS CA C 13 58.607 0.3 . 1 . . . . 711 LYS CA . 18741 1 1079 . 1 1 280 280 LYS CB C 13 31.106 0.3 . 1 . . . . 711 LYS CB . 18741 1 1080 . 1 1 280 280 LYS N N 15 118.867 0.3 . 1 . . . . 711 LYS N . 18741 1 1081 . 1 1 281 281 LEU H H 1 7.765 0.020 . 1 . . . . 712 LEU H . 18741 1 1082 . 1 1 281 281 LEU C C 13 179.746 0.3 . 1 . . . . 712 LEU C . 18741 1 1083 . 1 1 281 281 LEU CA C 13 57.065 0.3 . 1 . . . . 712 LEU CA . 18741 1 1084 . 1 1 281 281 LEU CB C 13 39.705 0.3 . 1 . . . . 712 LEU CB . 18741 1 1085 . 1 1 281 281 LEU N N 15 119.387 0.3 . 1 . . . . 712 LEU N . 18741 1 1086 . 1 1 282 282 LEU H H 1 8.522 0.020 . 1 . . . . 713 LEU H . 18741 1 1087 . 1 1 282 282 LEU C C 13 182.217 0.3 . 1 . . . . 713 LEU C . 18741 1 1088 . 1 1 282 282 LEU CA C 13 57.016 0.3 . 1 . . . . 713 LEU CA . 18741 1 1089 . 1 1 282 282 LEU CB C 13 40.883 0.3 . 1 . . . . 713 LEU CB . 18741 1 1090 . 1 1 282 282 LEU N N 15 118.282 0.3 . 1 . . . . 713 LEU N . 18741 1 1091 . 1 1 284 284 GLU C C 13 176.465 0.3 . 1 . . . . 715 GLU C . 18741 1 1092 . 1 1 284 284 GLU CA C 13 55.606 0.3 . 1 . . . . 715 GLU CA . 18741 1 1093 . 1 1 284 284 GLU CB C 13 28.363 0.3 . 1 . . . . 715 GLU CB . 18741 1 1094 . 1 1 285 285 GLY H H 1 7.492 0.020 . 1 . . . . 716 GLY H . 18741 1 1095 . 1 1 285 285 GLY C C 13 173.954 0.3 . 1 . . . . 716 GLY C . 18741 1 1096 . 1 1 285 285 GLY CA C 13 44.171 0.3 . 1 . . . . 716 GLY CA . 18741 1 1097 . 1 1 285 285 GLY N N 15 105.536 0.3 . 1 . . . . 716 GLY N . 18741 1 1098 . 1 1 286 286 HIS H H 1 7.952 0.020 . 1 . . . . 717 HIS H . 18741 1 1099 . 1 1 286 286 HIS C C 13 174.876 0.3 . 1 . . . . 717 HIS C . 18741 1 1100 . 1 1 286 286 HIS CA C 13 57.076 0.3 . 1 . . . . 717 HIS CA . 18741 1 1101 . 1 1 286 286 HIS CB C 13 30.262 0.3 . 1 . . . . 717 HIS CB . 18741 1 1102 . 1 1 286 286 HIS N N 15 122.111 0.3 . 1 . . . . 717 HIS N . 18741 1 1103 . 1 1 287 287 ARG H H 1 7.527 0.020 . 1 . . . . 718 ARG H . 18741 1 1104 . 1 1 287 287 ARG C C 13 174.654 0.3 . 1 . . . . 718 ARG C . 18741 1 1105 . 1 1 287 287 ARG CA C 13 51.284 0.3 . 1 . . . . 718 ARG CA . 18741 1 1106 . 1 1 287 287 ARG CB C 13 32.724 0.3 . 1 . . . . 718 ARG CB . 18741 1 1107 . 1 1 287 287 ARG N N 15 122.588 0.3 . 1 . . . . 718 ARG N . 18741 1 1108 . 1 1 288 288 MET H H 1 7.146 0.020 . 1 . . . . 719 MET H . 18741 1 1109 . 1 1 288 288 MET C C 13 175.332 0.3 . 1 . . . . 719 MET C . 18741 1 1110 . 1 1 288 288 MET CA C 13 56.596 0.3 . 1 . . . . 719 MET CA . 18741 1 1111 . 1 1 288 288 MET CB C 13 33.779 0.3 . 1 . . . . 719 MET CB . 18741 1 1112 . 1 1 288 288 MET N N 15 118.158 0.3 . 1 . . . . 719 MET N . 18741 1 1113 . 1 1 289 289 ASP H H 1 8.311 0.020 . 1 . . . . 720 ASP H . 18741 1 1114 . 1 1 289 289 ASP C C 13 174.608 0.3 . 1 . . . . 720 ASP C . 18741 1 1115 . 1 1 289 289 ASP CA C 13 52.574 0.3 . 1 . . . . 720 ASP CA . 18741 1 1116 . 1 1 289 289 ASP CB C 13 41.235 0.3 . 1 . . . . 720 ASP CB . 18741 1 1117 . 1 1 289 289 ASP N N 15 120.162 0.3 . 1 . . . . 720 ASP N . 18741 1 1118 . 1 1 290 290 LYS H H 1 7.982 0.020 . 1 . . . . 721 LYS H . 18741 1 1119 . 1 1 290 290 LYS C C 13 175.162 0.3 . 1 . . . . 721 LYS C . 18741 1 1120 . 1 1 290 290 LYS CA C 13 54.585 0.3 . 1 . . . . 721 LYS CA . 18741 1 1121 . 1 1 290 290 LYS CB C 13 31.036 0.3 . 1 . . . . 721 LYS CB . 18741 1 1122 . 1 1 290 290 LYS N N 15 122.366 0.3 . 1 . . . . 721 LYS N . 18741 1 1123 . 1 1 293 293 ASN C C 13 173.555 0.3 . 1 . . . . 724 ASN C . 18741 1 1124 . 1 1 293 293 ASN CA C 13 52.574 0.3 . 1 . . . . 724 ASN CA . 18741 1 1125 . 1 1 293 293 ASN CB C 13 36.452 0.3 . 1 . . . . 724 ASN CB . 18741 1 1126 . 1 1 294 294 CYS H H 1 7.314 0.020 . 1 . . . . 725 CYS H . 18741 1 1127 . 1 1 294 294 CYS C C 13 173.225 0.3 . 1 . . . . 725 CYS C . 18741 1 1128 . 1 1 294 294 CYS CA C 13 57.076 0.3 . 1 . . . . 725 CYS CA . 18741 1 1129 . 1 1 294 294 CYS CB C 13 28.152 0.3 . 1 . . . . 725 CYS CB . 18741 1 1130 . 1 1 294 294 CYS N N 15 117.947 0.3 . 1 . . . . 725 CYS N . 18741 1 1131 . 1 1 295 295 THR H H 1 7.313 0.020 . 1 . . . . 726 THR H . 18741 1 1132 . 1 1 295 295 THR C C 13 175.762 0.3 . 1 . . . . 726 THR C . 18741 1 1133 . 1 1 295 295 THR CA C 13 60.527 0.3 . 1 . . . . 726 THR CA . 18741 1 1134 . 1 1 295 295 THR CB C 13 69.581 0.3 . 1 . . . . 726 THR CB . 18741 1 1135 . 1 1 295 295 THR N N 15 117.192 0.3 . 1 . . . . 726 THR N . 18741 1 1136 . 1 1 296 296 ASN C C 13 177.249 0.3 . 1 . . . . 727 ASN C . 18741 1 1137 . 1 1 296 296 ASN CA C 13 56.056 0.3 . 1 . . . . 727 ASN CA . 18741 1 1138 . 1 1 296 296 ASN CB C 13 36.733 0.3 . 1 . . . . 727 ASN CB . 18741 1 1139 . 1 1 297 297 GLU H H 1 8.803 0.020 . 1 . . . . 728 GLU H . 18741 1 1140 . 1 1 297 297 GLU C C 13 178.891 0.3 . 1 . . . . 728 GLU C . 18741 1 1141 . 1 1 297 297 GLU CA C 13 59.357 0.3 . 1 . . . . 728 GLU CA . 18741 1 1142 . 1 1 297 297 GLU CB C 13 27.660 0.3 . 1 . . . . 728 GLU CB . 18741 1 1143 . 1 1 297 297 GLU N N 15 119.424 0.3 . 1 . . . . 728 GLU N . 18741 1 1144 . 1 1 298 298 LEU H H 1 7.270 0.020 . 1 . . . . 729 LEU H . 18741 1 1145 . 1 1 298 298 LEU C C 13 178.149 0.3 . 1 . . . . 729 LEU C . 18741 1 1146 . 1 1 298 298 LEU CA C 13 55.606 0.3 . 1 . . . . 729 LEU CA . 18741 1 1147 . 1 1 298 298 LEU CB C 13 40.109 0.3 . 1 . . . . 729 LEU CB . 18741 1 1148 . 1 1 298 298 LEU N N 15 121.745 0.3 . 1 . . . . 729 LEU N . 18741 1 1149 . 1 1 299 299 TYR H H 1 7.754 0.020 . 1 . . . . 730 TYR H . 18741 1 1150 . 1 1 299 299 TYR C C 13 176.772 0.3 . 1 . . . . 730 TYR C . 18741 1 1151 . 1 1 299 299 TYR CA C 13 59.057 0.3 . 1 . . . . 730 TYR CA . 18741 1 1152 . 1 1 299 299 TYR CB C 13 37.015 0.3 . 1 . . . . 730 TYR CB . 18741 1 1153 . 1 1 299 299 TYR N N 15 120.479 0.3 . 1 . . . . 730 TYR N . 18741 1 1154 . 1 1 300 300 MET H H 1 8.414 0.020 . 1 . . . . 731 MET H . 18741 1 1155 . 1 1 300 300 MET C C 13 177.471 0.3 . 1 . . . . 731 MET C . 18741 1 1156 . 1 1 300 300 MET CA C 13 57.046 0.3 . 1 . . . . 731 MET CA . 18741 1 1157 . 1 1 300 300 MET CB C 13 30.122 0.3 . 1 . . . . 731 MET CB . 18741 1 1158 . 1 1 300 300 MET N N 15 118.158 0.3 . 1 . . . . 731 MET N . 18741 1 1159 . 1 1 301 301 MET H H 1 6.964 0.020 . 1 . . . . 732 MET H . 18741 1 1160 . 1 1 301 301 MET C C 13 178.043 0.3 . 1 . . . . 732 MET C . 18741 1 1161 . 1 1 301 301 MET CA C 13 58.397 0.3 . 1 . . . . 732 MET CA . 18741 1 1162 . 1 1 301 301 MET CB C 13 31.739 0.3 . 1 . . . . 732 MET CB . 18741 1 1163 . 1 1 301 301 MET N N 15 118.935 0.3 . 1 . . . . 732 MET N . 18741 1 1164 . 1 1 302 302 MET H H 1 7.315 0.020 . 1 . . . . 733 MET H . 18741 1 1165 . 1 1 302 302 MET C C 13 177.847 0.3 . 1 . . . . 733 MET C . 18741 1 1166 . 1 1 302 302 MET CA C 13 58.397 0.3 . 1 . . . . 733 MET CA . 18741 1 1167 . 1 1 302 302 MET CB C 13 30.684 0.3 . 1 . . . . 733 MET CB . 18741 1 1168 . 1 1 302 302 MET N N 15 119.013 0.3 . 1 . . . . 733 MET N . 18741 1 1169 . 1 1 303 303 ARG H H 1 7.527 0.020 . 1 . . . . 734 ARG H . 18741 1 1170 . 1 1 303 303 ARG C C 13 176.391 0.3 . 1 . . . . 734 ARG C . 18741 1 1171 . 1 1 303 303 ARG CA C 13 55.726 0.3 . 1 . . . . 734 ARG CA . 18741 1 1172 . 1 1 303 303 ARG CB C 13 28.363 0.3 . 1 . . . . 734 ARG CB . 18741 1 1173 . 1 1 303 303 ARG N N 15 117.103 0.3 . 1 . . . . 734 ARG N . 18741 1 1174 . 1 1 304 304 ASP H H 1 8.112 0.020 . 1 . . . . 735 ASP H . 18741 1 1175 . 1 1 304 304 ASP C C 13 178.982 0.3 . 1 . . . . 735 ASP C . 18741 1 1176 . 1 1 304 304 ASP CA C 13 56.592 0.3 . 1 . . . . 735 ASP CA . 18741 1 1177 . 1 1 304 304 ASP CB C 13 38.210 0.3 . 1 . . . . 735 ASP CB . 18741 1 1178 . 1 1 304 304 ASP N N 15 123.365 0.3 . 1 . . . . 735 ASP N . 18741 1 1179 . 1 1 305 305 CYS H H 1 7.384 0.020 . 1 . . . . 736 CYS H . 18741 1 1180 . 1 1 305 305 CYS C C 13 173.361 0.3 . 1 . . . . 736 CYS C . 18741 1 1181 . 1 1 305 305 CYS CA C 13 63.318 0.3 . 1 . . . . 736 CYS CA . 18741 1 1182 . 1 1 305 305 CYS CB C 13 25.057 0.3 . 1 . . . . 736 CYS CB . 18741 1 1183 . 1 1 305 305 CYS N N 15 118.659 0.3 . 1 . . . . 736 CYS N . 18741 1 1184 . 1 1 306 306 TRP H H 1 6.684 0.020 . 1 . . . . 737 TRP H . 18741 1 1185 . 1 1 306 306 TRP C C 13 175.866 0.3 . 1 . . . . 737 TRP C . 18741 1 1186 . 1 1 306 306 TRP CA C 13 51.344 0.3 . 1 . . . . 737 TRP CA . 18741 1 1187 . 1 1 306 306 TRP CB C 13 25.409 0.3 . 1 . . . . 737 TRP CB . 18741 1 1188 . 1 1 306 306 TRP N N 15 112.671 0.3 . 1 . . . . 737 TRP N . 18741 1 1189 . 1 1 307 307 HIS H H 1 7.146 0.020 . 1 . . . . 738 HIS H . 18741 1 1190 . 1 1 307 307 HIS C C 13 177.323 0.3 . 1 . . . . 738 HIS C . 18741 1 1191 . 1 1 307 307 HIS CA C 13 58.967 0.3 . 1 . . . . 738 HIS CA . 18741 1 1192 . 1 1 307 307 HIS CB C 13 29.277 0.3 . 1 . . . . 738 HIS CB . 18741 1 1193 . 1 1 307 307 HIS N N 15 121.901 0.3 . 1 . . . . 738 HIS N . 18741 1 1194 . 1 1 308 308 ALA H H 1 8.872 0.020 . 1 . . . . 739 ALA H . 18741 1 1195 . 1 1 308 308 ALA C C 13 178.213 0.3 . 1 . . . . 739 ALA C . 18741 1 1196 . 1 1 308 308 ALA CA C 13 54.555 0.3 . 1 . . . . 739 ALA CA . 18741 1 1197 . 1 1 308 308 ALA CB C 13 18.235 0.3 . 1 . . . . 739 ALA CB . 18741 1 1198 . 1 1 308 308 ALA N N 15 129.301 0.3 . 1 . . . . 739 ALA N . 18741 1 1199 . 1 1 309 309 VAL H H 1 11.554 0.020 . 1 . . . . 740 VAL H . 18741 1 1200 . 1 1 309 309 VAL C C 13 176.031 0.3 . 1 . . . . 740 VAL C . 18741 1 1201 . 1 1 309 309 VAL CA C 13 59.327 0.3 . 1 . . . . 740 VAL CA . 18741 1 1202 . 1 1 309 309 VAL CB C 13 30.614 0.3 . 1 . . . . 740 VAL CB . 18741 1 1203 . 1 1 309 309 VAL N N 15 125.736 0.3 . 1 . . . . 740 VAL N . 18741 1 1204 . 1 1 310 310 PRO C C 13 178.508 0.3 . 1 . . . . 741 PRO C . 18741 1 1205 . 1 1 310 310 PRO CA C 13 65.569 0.3 . 1 . . . . 741 PRO CA . 18741 1 1206 . 1 1 310 310 PRO CB C 13 31.177 0.3 . 1 . . . . 741 PRO CB . 18741 1 1207 . 1 1 311 311 SER H H 1 7.813 0.020 . 1 . . . . 742 SER H . 18741 1 1208 . 1 1 311 311 SER C C 13 174.760 0.3 . 1 . . . . 742 SER C . 18741 1 1209 . 1 1 311 311 SER CA C 13 59.267 0.3 . 1 . . . . 742 SER CA . 18741 1 1210 . 1 1 311 311 SER CB C 13 61.211 0.3 . 1 . . . . 742 SER CB . 18741 1 1211 . 1 1 311 311 SER N N 15 108.560 0.3 . 1 . . . . 742 SER N . 18741 1 1212 . 1 1 312 312 GLN H H 1 7.815 0.020 . 1 . . . . 743 GLN H . 18741 1 1213 . 1 1 312 312 GLN C C 13 176.217 0.3 . 1 . . . . 743 GLN C . 18741 1 1214 . 1 1 312 312 GLN CA C 13 54.439 0.3 . 1 . . . . 743 GLN CA . 18741 1 1215 . 1 1 312 312 GLN CB C 13 26.857 0.3 . 1 . . . . 743 GLN CB . 18741 1 1216 . 1 1 312 312 GLN N N 15 119.849 0.3 . 1 . . . . 743 GLN N . 18741 1 1217 . 1 1 313 313 ARG H H 1 7.058 0.020 . 1 . . . . 744 ARG H . 18741 1 1218 . 1 1 313 313 ARG C C 13 173.065 0.3 . 1 . . . . 744 ARG C . 18741 1 1219 . 1 1 313 313 ARG CA C 13 53.865 0.3 . 1 . . . . 744 ARG CA . 18741 1 1220 . 1 1 313 313 ARG CB C 13 28.363 0.3 . 1 . . . . 744 ARG CB . 18741 1 1221 . 1 1 313 313 ARG N N 15 120.901 0.3 . 1 . . . . 744 ARG N . 18741 1 1222 . 1 1 314 314 PRO C C 13 174.917 0.3 . 1 . . . . 745 PRO C . 18741 1 1223 . 1 1 314 314 PRO CA C 13 61.338 0.3 . 1 . . . . 745 PRO CA . 18741 1 1224 . 1 1 314 314 PRO CB C 13 31.036 0.3 . 1 . . . . 745 PRO CB . 18741 1 1225 . 1 1 315 315 THR H H 1 7.410 0.020 . 1 . . . . 746 THR H . 18741 1 1226 . 1 1 315 315 THR C C 13 176.454 0.3 . 1 . . . . 746 THR C . 18741 1 1227 . 1 1 315 315 THR CA C 13 58.817 0.3 . 1 . . . . 746 THR CA . 18741 1 1228 . 1 1 315 315 THR CB C 13 70.425 0.3 . 1 . . . . 746 THR CB . 18741 1 1229 . 1 1 315 315 THR N N 15 106.661 0.3 . 1 . . . . 746 THR N . 18741 1 1230 . 1 1 316 316 PHE H H 1 8.524 0.020 . 1 . . . . 747 PHE H . 18741 1 1231 . 1 1 316 316 PHE C C 13 176.920 0.3 . 1 . . . . 747 PHE C . 18741 1 1232 . 1 1 316 316 PHE CA C 13 63.078 0.3 . 1 . . . . 747 PHE CA . 18741 1 1233 . 1 1 316 316 PHE CB C 13 36.452 0.3 . 1 . . . . 747 PHE CB . 18741 1 1234 . 1 1 316 316 PHE N N 15 117.736 0.3 . 1 . . . . 747 PHE N . 18741 1 1235 . 1 1 317 317 LYS H H 1 8.033 0.020 . 1 . . . . 748 LYS H . 18741 1 1236 . 1 1 317 317 LYS C C 13 178.170 0.3 . 1 . . . . 748 LYS C . 18741 1 1237 . 1 1 317 317 LYS CA C 13 58.847 0.3 . 1 . . . . 748 LYS CA . 18741 1 1238 . 1 1 317 317 LYS CB C 13 31.247 0.3 . 1 . . . . 748 LYS CB . 18741 1 1239 . 1 1 317 317 LYS N N 15 118.897 0.3 . 1 . . . . 748 LYS N . 18741 1 1240 . 1 1 318 318 GLN H H 1 7.307 0.020 . 1 . . . . 749 GLN H . 18741 1 1241 . 1 1 318 318 GLN C C 13 177.662 0.3 . 1 . . . . 749 GLN C . 18741 1 1242 . 1 1 318 318 GLN CA C 13 57.556 0.3 . 1 . . . . 749 GLN CA . 18741 1 1243 . 1 1 318 318 GLN CB C 13 27.660 0.3 . 1 . . . . 749 GLN CB . 18741 1 1244 . 1 1 318 318 GLN N N 15 119.529 0.3 . 1 . . . . 749 GLN N . 18741 1 1245 . 1 1 319 319 LEU H H 1 8.152 0.020 . 1 . . . . 750 LEU H . 18741 1 1246 . 1 1 319 319 LEU CA C 13 57.639 0.3 . 1 . . . . 750 LEU CA . 18741 1 1247 . 1 1 319 319 LEU CB C 13 40.461 0.3 . 1 . . . . 750 LEU CB . 18741 1 1248 . 1 1 319 319 LEU N N 15 119.820 0.3 . 1 . . . . 750 LEU N . 18741 1 1249 . 1 1 320 320 VAL H H 1 8.254 0.020 . 1 . . . . 751 VAL H . 18741 1 1250 . 1 1 320 320 VAL CA C 13 66.912 0.3 . 1 . . . . 751 VAL CA . 18741 1 1251 . 1 1 320 320 VAL CB C 13 30.544 0.3 . 1 . . . . 751 VAL CB . 18741 1 1252 . 1 1 320 320 VAL N N 15 118.513 0.3 . 1 . . . . 751 VAL N . 18741 1 1253 . 1 1 321 321 GLU H H 1 7.326 0.020 . 1 . . . . 752 GLU H . 18741 1 1254 . 1 1 321 321 GLU C C 13 179.705 0.3 . 1 . . . . 752 GLU C . 18741 1 1255 . 1 1 321 321 GLU CA C 13 58.744 0.3 . 1 . . . . 752 GLU CA . 18741 1 1256 . 1 1 321 321 GLU CB C 13 28.011 0.3 . 1 . . . . 752 GLU CB . 18741 1 1257 . 1 1 321 321 GLU N N 15 118.951 0.3 . 1 . . . . 752 GLU N . 18741 1 1258 . 1 1 322 322 ASP H H 1 8.549 0.020 . 1 . . . . 753 ASP H . 18741 1 1259 . 1 1 322 322 ASP C C 13 177.620 0.3 . 1 . . . . 753 ASP C . 18741 1 1260 . 1 1 322 322 ASP CA C 13 56.686 0.3 . 1 . . . . 753 ASP CA . 18741 1 1261 . 1 1 322 322 ASP CB C 13 39.406 0.3 . 1 . . . . 753 ASP CB . 18741 1 1262 . 1 1 322 322 ASP N N 15 120.616 0.3 . 1 . . . . 753 ASP N . 18741 1 1263 . 1 1 323 323 LEU H H 1 8.912 0.020 . 1 . . . . 754 LEU H . 18741 1 1264 . 1 1 323 323 LEU C C 13 177.641 0.3 . 1 . . . . 754 LEU C . 18741 1 1265 . 1 1 323 323 LEU CA C 13 57.616 0.3 . 1 . . . . 754 LEU CA . 18741 1 1266 . 1 1 323 323 LEU CB C 13 41.094 0.3 . 1 . . . . 754 LEU CB . 18741 1 1267 . 1 1 323 323 LEU N N 15 120.663 0.3 . 1 . . . . 754 LEU N . 18741 1 1268 . 1 1 324 324 ASP H H 1 8.657 0.020 . 1 . . . . 755 ASP H . 18741 1 1269 . 1 1 324 324 ASP C C 13 178.170 0.3 . 1 . . . . 755 ASP C . 18741 1 1270 . 1 1 324 324 ASP CA C 13 56.596 0.3 . 1 . . . . 755 ASP CA . 18741 1 1271 . 1 1 324 324 ASP CB C 13 40.953 0.3 . 1 . . . . 755 ASP CB . 18741 1 1272 . 1 1 324 324 ASP N N 15 121.106 0.3 . 1 . . . . 755 ASP N . 18741 1 1273 . 1 1 325 325 ARG H H 1 7.147 0.020 . 1 . . . . 756 ARG H . 18741 1 1274 . 1 1 325 325 ARG C C 13 178.219 0.3 . 1 . . . . 756 ARG C . 18741 1 1275 . 1 1 325 325 ARG CA C 13 58.307 0.3 . 1 . . . . 756 ARG CA . 18741 1 1276 . 1 1 325 325 ARG CB C 13 28.293 0.3 . 1 . . . . 756 ARG CB . 18741 1 1277 . 1 1 325 325 ARG N N 15 118.088 0.3 . 1 . . . . 756 ARG N . 18741 1 1278 . 1 1 326 326 ILE H H 1 7.764 0.020 . 1 . . . . 757 ILE H . 18741 1 1279 . 1 1 326 326 ILE C C 13 179.560 0.3 . 1 . . . . 757 ILE C . 18741 1 1280 . 1 1 326 326 ILE CA C 13 64.459 0.3 . 1 . . . . 757 ILE CA . 18741 1 1281 . 1 1 326 326 ILE CB C 13 36.944 0.3 . 1 . . . . 757 ILE CB . 18741 1 1282 . 1 1 326 326 ILE N N 15 120.166 0.3 . 1 . . . . 757 ILE N . 18741 1 1283 . 1 1 327 327 VAL H H 1 8.862 0.020 . 1 . . . . 758 VAL H . 18741 1 1284 . 1 1 327 327 VAL C C 13 178.192 0.3 . 1 . . . . 758 VAL C . 18741 1 1285 . 1 1 327 327 VAL CA C 13 66.019 0.3 . 1 . . . . 758 VAL CA . 18741 1 1286 . 1 1 327 327 VAL CB C 13 30.122 0.3 . 1 . . . . 758 VAL CB . 18741 1 1287 . 1 1 327 327 VAL N N 15 123.969 0.3 . 1 . . . . 758 VAL N . 18741 1 1288 . 1 1 328 328 ALA H H 1 7.512 0.020 . 1 . . . . 759 ALA H . 18741 1 1289 . 1 1 328 328 ALA C C 13 179.420 0.3 . 1 . . . . 759 ALA C . 18741 1 1290 . 1 1 328 328 ALA CA C 13 53.835 0.3 . 1 . . . . 759 ALA CA . 18741 1 1291 . 1 1 328 328 ALA CB C 13 16.546 0.3 . 1 . . . . 759 ALA CB . 18741 1 1292 . 1 1 328 328 ALA N N 15 121.745 0.3 . 1 . . . . 759 ALA N . 18741 1 1293 . 1 1 329 329 LEU H H 1 7.622 0.020 . 1 . . . . 760 LEU H . 18741 1 1294 . 1 1 329 329 LEU C C 13 178.361 0.3 . 1 . . . . 760 LEU C . 18741 1 1295 . 1 1 329 329 LEU CA C 13 55.546 0.3 . 1 . . . . 760 LEU CA . 18741 1 1296 . 1 1 329 329 LEU CB C 13 40.813 0.3 . 1 . . . . 760 LEU CB . 18741 1 1297 . 1 1 329 329 LEU N N 15 117.842 0.3 . 1 . . . . 760 LEU N . 18741 1 1298 . 1 1 330 330 THR H H 1 7.747 0.020 . 1 . . . . 761 THR H . 18741 1 1299 . 1 1 330 330 THR C C 13 174.442 0.3 . 1 . . . . 761 THR C . 18741 1 1300 . 1 1 330 330 THR CA C 13 63.018 0.3 . 1 . . . . 761 THR CA . 18741 1 1301 . 1 1 330 330 THR CB C 13 68.455 0.3 . 1 . . . . 761 THR CB . 18741 1 1302 . 1 1 330 330 THR N N 15 114.783 0.3 . 1 . . . . 761 THR N . 18741 1 1303 . 1 1 331 331 SER H H 1 8.018 0.020 . 1 . . . . 762 SER H . 18741 1 1304 . 1 1 331 331 SER C C 13 174.484 0.3 . 1 . . . . 762 SER C . 18741 1 1305 . 1 1 331 331 SER CA C 13 58.186 0.3 . 1 . . . . 762 SER CA . 18741 1 1306 . 1 1 331 331 SER CB C 13 62.617 0.3 . 1 . . . . 762 SER CB . 18741 1 1307 . 1 1 331 331 SER N N 15 118.580 0.3 . 1 . . . . 762 SER N . 18741 1 1308 . 1 1 332 332 ASN H H 1 8.148 0.020 . 1 . . . . 763 ASN H . 18741 1 1309 . 1 1 332 332 ASN C C 13 174.654 0.3 . 1 . . . . 763 ASN C . 18741 1 1310 . 1 1 332 332 ASN CA C 13 52.698 0.3 . 1 . . . . 763 ASN CA . 18741 1 1311 . 1 1 332 332 ASN CB C 13 37.718 0.3 . 1 . . . . 763 ASN CB . 18741 1 1312 . 1 1 332 332 ASN N N 15 120.208 0.3 . 1 . . . . 763 ASN N . 18741 1 1313 . 1 1 333 333 GLN H H 1 8.062 0.020 . 1 . . . . 764 GLN H . 18741 1 1314 . 1 1 333 333 GLN C C 13 174.550 0.3 . 1 . . . . 764 GLN C . 18741 1 1315 . 1 1 333 333 GLN CA C 13 55.065 0.3 . 1 . . . . 764 GLN CA . 18741 1 1316 . 1 1 333 333 GLN CB C 13 28.293 0.3 . 1 . . . . 764 GLN CB . 18741 1 1317 . 1 1 333 333 GLN N N 15 120.479 0.3 . 1 . . . . 764 GLN N . 18741 1 1318 . 1 1 334 334 GLU H H 1 7.901 0.020 . 1 . . . . 765 GLU H . 18741 1 1319 . 1 1 334 334 GLU C C 13 180.819 0.3 . 1 . . . . 765 GLU C . 18741 1 1320 . 1 1 334 334 GLU CA C 13 57.286 0.3 . 1 . . . . 765 GLU CA . 18741 1 1321 . 1 1 334 334 GLU CB C 13 29.629 0.3 . 1 . . . . 765 GLU CB . 18741 1 1322 . 1 1 334 334 GLU N N 15 127.757 0.3 . 1 . . . . 765 GLU N . 18741 1 stop_ save_