data_27034 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27034 _Entry.Title ; 1H, 13C and 15N chemical shift assignments of A. thaliana RCD1(468-569) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-13 _Entry.Accession_date 2017-02-13 _Entry.Last_release_date 2017-02-13 _Entry.Original_release_date 2017-02-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 Helena Tossavainen . . . . 27034 2 Maarit Hellman . . . . 27034 3 Julia Vainonen . P. . . 27034 4 Jaakko Kangasjarvi . . . . 27034 5 Perttu Permi . . . . 27034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 500 27034 '15N chemical shifts' 123 27034 '1H chemical shifts' 811 27034 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 2 . . 2018-02-06 2017-02-13 update BMRB 'update entry citation' 27034 1 . . 2017-06-13 2017-02-13 original author 'original release' 27034 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27034 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28593560 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N NMR chemical shift assignments of A. thaliana RCD1 RST ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 207 _Citation.Page_last 210 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Helena Tossavainen . . . . 27034 1 2 Maarit Hellman . . . . 27034 1 3 Julia Vainonen . P. . . 27034 1 4 Jaakko Kangasjarvi . . . . 27034 1 5 Perttu Permi . . . . 27034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27034 _Assembly.ID 1 _Assembly.Name RCD1 _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 RCD1 1 $RCD1 A . yes native no no . . . 27034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RCD1 _Entity.Sf_category entity _Entity.Sf_framecode RCD1 _Entity.Entry_ID 27034 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RCD1 _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 ; GSPEFMGVTLEGPKDLPPQL ESNQGARGSGSANSVGSSTT RPKSPWMPFPTLFAAISHKV AENDMLLINADYQQLRDKKM TRAEFVRKLRVIVGDDLLRS TITTLQNQPKSKEIPGSIRD HEEGAGGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 462 GLY . 27034 1 2 463 SER . 27034 1 3 464 PRO . 27034 1 4 465 GLU . 27034 1 5 466 PHE . 27034 1 6 467 MET . 27034 1 7 468 GLY . 27034 1 8 469 VAL . 27034 1 9 470 THR . 27034 1 10 471 LEU . 27034 1 11 472 GLU . 27034 1 12 473 GLY . 27034 1 13 474 PRO . 27034 1 14 475 LYS . 27034 1 15 476 ASP . 27034 1 16 477 LEU . 27034 1 17 478 PRO . 27034 1 18 479 PRO . 27034 1 19 480 GLN . 27034 1 20 481 LEU . 27034 1 21 482 GLU . 27034 1 22 483 SER . 27034 1 23 484 ASN . 27034 1 24 485 GLN . 27034 1 25 486 GLY . 27034 1 26 487 ALA . 27034 1 27 488 ARG . 27034 1 28 489 GLY . 27034 1 29 490 SER . 27034 1 30 491 GLY . 27034 1 31 492 SER . 27034 1 32 493 ALA . 27034 1 33 494 ASN . 27034 1 34 495 SER . 27034 1 35 496 VAL . 27034 1 36 497 GLY . 27034 1 37 498 SER . 27034 1 38 499 SER . 27034 1 39 500 THR . 27034 1 40 501 THR . 27034 1 41 502 ARG . 27034 1 42 503 PRO . 27034 1 43 504 LYS . 27034 1 44 505 SER . 27034 1 45 506 PRO . 27034 1 46 507 TRP . 27034 1 47 508 MET . 27034 1 48 509 PRO . 27034 1 49 510 PHE . 27034 1 50 511 PRO . 27034 1 51 512 THR . 27034 1 52 513 LEU . 27034 1 53 514 PHE . 27034 1 54 515 ALA . 27034 1 55 516 ALA . 27034 1 56 517 ILE . 27034 1 57 518 SER . 27034 1 58 519 HIS . 27034 1 59 520 LYS . 27034 1 60 521 VAL . 27034 1 61 522 ALA . 27034 1 62 523 GLU . 27034 1 63 524 ASN . 27034 1 64 525 ASP . 27034 1 65 526 MET . 27034 1 66 527 LEU . 27034 1 67 528 LEU . 27034 1 68 529 ILE . 27034 1 69 530 ASN . 27034 1 70 531 ALA . 27034 1 71 532 ASP . 27034 1 72 533 TYR . 27034 1 73 534 GLN . 27034 1 74 535 GLN . 27034 1 75 536 LEU . 27034 1 76 537 ARG . 27034 1 77 538 ASP . 27034 1 78 539 LYS . 27034 1 79 540 LYS . 27034 1 80 541 MET . 27034 1 81 542 THR . 27034 1 82 543 ARG . 27034 1 83 544 ALA . 27034 1 84 545 GLU . 27034 1 85 546 PHE . 27034 1 86 547 VAL . 27034 1 87 548 ARG . 27034 1 88 549 LYS . 27034 1 89 550 LEU . 27034 1 90 551 ARG . 27034 1 91 552 VAL . 27034 1 92 553 ILE . 27034 1 93 554 VAL . 27034 1 94 555 GLY . 27034 1 95 556 ASP . 27034 1 96 557 ASP . 27034 1 97 558 LEU . 27034 1 98 559 LEU . 27034 1 99 560 ARG . 27034 1 100 561 SER . 27034 1 101 562 THR . 27034 1 102 563 ILE . 27034 1 103 564 THR . 27034 1 104 565 THR . 27034 1 105 566 LEU . 27034 1 106 567 GLN . 27034 1 107 568 ASN . 27034 1 108 569 GLN . 27034 1 109 570 PRO . 27034 1 110 571 LYS . 27034 1 111 572 SER . 27034 1 112 573 LYS . 27034 1 113 574 GLU . 27034 1 114 575 ILE . 27034 1 115 576 PRO . 27034 1 116 577 GLY . 27034 1 117 578 SER . 27034 1 118 579 ILE . 27034 1 119 580 ARG . 27034 1 120 581 ASP . 27034 1 121 582 HIS . 27034 1 122 583 GLU . 27034 1 123 584 GLU . 27034 1 124 585 GLY . 27034 1 125 586 ALA . 27034 1 126 587 GLY . 27034 1 127 588 GLY . 27034 1 128 589 LEU . 27034 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 . GLY 1 1 27034 1 . SER 2 2 27034 1 . PRO 3 3 27034 1 . GLU 4 4 27034 1 . PHE 5 5 27034 1 . MET 6 6 27034 1 . GLY 7 7 27034 1 . VAL 8 8 27034 1 . THR 9 9 27034 1 . LEU 10 10 27034 1 . GLU 11 11 27034 1 . GLY 12 12 27034 1 . PRO 13 13 27034 1 . LYS 14 14 27034 1 . ASP 15 15 27034 1 . LEU 16 16 27034 1 . PRO 17 17 27034 1 . PRO 18 18 27034 1 . GLN 19 19 27034 1 . LEU 20 20 27034 1 . GLU 21 21 27034 1 . SER 22 22 27034 1 . ASN 23 23 27034 1 . GLN 24 24 27034 1 . GLY 25 25 27034 1 . ALA 26 26 27034 1 . ARG 27 27 27034 1 . GLY 28 28 27034 1 . SER 29 29 27034 1 . GLY 30 30 27034 1 . SER 31 31 27034 1 . ALA 32 32 27034 1 . ASN 33 33 27034 1 . SER 34 34 27034 1 . VAL 35 35 27034 1 . GLY 36 36 27034 1 . SER 37 37 27034 1 . SER 38 38 27034 1 . THR 39 39 27034 1 . THR 40 40 27034 1 . ARG 41 41 27034 1 . PRO 42 42 27034 1 . LYS 43 43 27034 1 . SER 44 44 27034 1 . PRO 45 45 27034 1 . TRP 46 46 27034 1 . MET 47 47 27034 1 . PRO 48 48 27034 1 . PHE 49 49 27034 1 . PRO 50 50 27034 1 . THR 51 51 27034 1 . LEU 52 52 27034 1 . PHE 53 53 27034 1 . ALA 54 54 27034 1 . ALA 55 55 27034 1 . ILE 56 56 27034 1 . SER 57 57 27034 1 . HIS 58 58 27034 1 . LYS 59 59 27034 1 . VAL 60 60 27034 1 . ALA 61 61 27034 1 . GLU 62 62 27034 1 . ASN 63 63 27034 1 . ASP 64 64 27034 1 . MET 65 65 27034 1 . LEU 66 66 27034 1 . LEU 67 67 27034 1 . ILE 68 68 27034 1 . ASN 69 69 27034 1 . ALA 70 70 27034 1 . ASP 71 71 27034 1 . TYR 72 72 27034 1 . GLN 73 73 27034 1 . GLN 74 74 27034 1 . LEU 75 75 27034 1 . ARG 76 76 27034 1 . ASP 77 77 27034 1 . LYS 78 78 27034 1 . LYS 79 79 27034 1 . MET 80 80 27034 1 . THR 81 81 27034 1 . ARG 82 82 27034 1 . ALA 83 83 27034 1 . GLU 84 84 27034 1 . PHE 85 85 27034 1 . VAL 86 86 27034 1 . ARG 87 87 27034 1 . LYS 88 88 27034 1 . LEU 89 89 27034 1 . ARG 90 90 27034 1 . VAL 91 91 27034 1 . ILE 92 92 27034 1 . VAL 93 93 27034 1 . GLY 94 94 27034 1 . ASP 95 95 27034 1 . ASP 96 96 27034 1 . LEU 97 97 27034 1 . LEU 98 98 27034 1 . ARG 99 99 27034 1 . SER 100 100 27034 1 . THR 101 101 27034 1 . ILE 102 102 27034 1 . THR 103 103 27034 1 . THR 104 104 27034 1 . LEU 105 105 27034 1 . GLN 106 106 27034 1 . ASN 107 107 27034 1 . GLN 108 108 27034 1 . PRO 109 109 27034 1 . LYS 110 110 27034 1 . SER 111 111 27034 1 . LYS 112 112 27034 1 . GLU 113 113 27034 1 . ILE 114 114 27034 1 . PRO 115 115 27034 1 . GLY 116 116 27034 1 . SER 117 117 27034 1 . ILE 118 118 27034 1 . ARG 119 119 27034 1 . ASP 120 120 27034 1 . HIS 121 121 27034 1 . GLU 122 122 27034 1 . GLU 123 123 27034 1 . GLY 124 124 27034 1 . ALA 125 125 27034 1 . GLY 126 126 27034 1 . GLY 127 127 27034 1 . LEU 128 128 27034 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 27034 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RCD1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 27034 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 27034 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RCD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pGEX4T-1 . . . 27034 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27034 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 RCD1 '[U-13C; U-15N]' . . 1 $RCD1 . . 0.9 . . mM . . . . 27034 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27034 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27034 1 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 27034 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 27034 1 pressure 1 . atm 27034 1 temperature 298 . K 27034 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27034 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27034 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27034 2 'data analysis' 27034 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27034 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27034 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27034 1 processing 27034 1 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 27034 _NMR_spectrometer.ID 1 _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 27034 _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 . . . 27034 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 27034 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 9 '3D iHNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 1 11 '3D hCCmHm' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27034 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 27034 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 0 internal indirect 0.25145020 . . . . . 27034 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 27034 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 0.10132912 . . . . . 27034 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 27034 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27034 1 2 '2D 1H-13C HSQC aliphatic' . . . 27034 1 3 '2D 1H-13C HSQC aromatic' . . . 27034 1 4 '3D CBCA(CO)NH' . . . 27034 1 5 '3D HNCACB' . . . 27034 1 6 '3D H(CCO)NH' . . . 27034 1 7 '3D C(CO)NH' . . . 27034 1 8 '3D HNCO' . . . 27034 1 9 '3D iHNCO' . . . 27034 1 10 '3D HBHA(CO)NH' . . . 27034 1 11 '3D hCCmHm' . . . 27034 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.Ambiguity_set_ID _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 2 2 SER C C 13 173.947 0.000 . 1 . . . . . 463 SER C . 27034 1 2 . 1 1 3 3 PRO HA H 1 4.333 0.001 . 1 . . . . . 464 PRO HA . 27034 1 3 . 1 1 3 3 PRO HB2 H 1 2.192 0.006 . 2 . . . . . 464 PRO HB2 . 27034 1 4 . 1 1 3 3 PRO HB3 H 1 1.765 0.003 . 2 . . . . . 464 PRO HB3 . 27034 1 5 . 1 1 3 3 PRO HG2 H 1 1.927 0.002 . 2 . . . . . 464 PRO HG2 . 27034 1 6 . 1 1 3 3 PRO HG3 H 1 1.927 0.002 . 2 . . . . . 464 PRO HG3 . 27034 1 7 . 1 1 3 3 PRO HD2 H 1 3.772 0.000 . 2 . . . . . 464 PRO HD2 . 27034 1 8 . 1 1 3 3 PRO HD3 H 1 3.772 0.000 . 2 . . . . . 464 PRO HD3 . 27034 1 9 . 1 1 3 3 PRO C C 13 176.738 0.092 . 1 . . . . . 464 PRO C . 27034 1 10 . 1 1 3 3 PRO CA C 13 63.630 0.021 . 1 . . . . . 464 PRO CA . 27034 1 11 . 1 1 3 3 PRO CB C 13 32.012 0.079 . 1 . . . . . 464 PRO CB . 27034 1 12 . 1 1 3 3 PRO CG C 13 27.436 0.025 . 1 . . . . . 464 PRO CG . 27034 1 13 . 1 1 3 3 PRO CD C 13 50.901 0.000 . 1 . . . . . 464 PRO CD . 27034 1 14 . 1 1 3 3 PRO N N 15 137.128 0.000 . 1 . . . . . 464 PRO N . 27034 1 15 . 1 1 4 4 GLU H H 1 8.408 0.000 . 1 . . . . . 465 GLU H . 27034 1 16 . 1 1 4 4 GLU HA H 1 4.091 0.012 . 1 . . . . . 465 GLU HA . 27034 1 17 . 1 1 4 4 GLU HB2 H 1 1.779 0.003 . 2 . . . . . 465 GLU HB2 . 27034 1 18 . 1 1 4 4 GLU HB3 H 1 1.779 0.003 . 2 . . . . . 465 GLU HB3 . 27034 1 19 . 1 1 4 4 GLU HG2 H 1 2.091 0.000 . 2 . . . . . 465 GLU HG2 . 27034 1 20 . 1 1 4 4 GLU HG3 H 1 1.989 0.000 . 2 . . . . . 465 GLU HG3 . 27034 1 21 . 1 1 4 4 GLU C C 13 176.177 0.012 . 1 . . . . . 465 GLU C . 27034 1 22 . 1 1 4 4 GLU CA C 13 56.909 0.005 . 1 . . . . . 465 GLU CA . 27034 1 23 . 1 1 4 4 GLU CB C 13 30.155 0.033 . 1 . . . . . 465 GLU CB . 27034 1 24 . 1 1 4 4 GLU CG C 13 36.169 0.073 . 1 . . . . . 465 GLU CG . 27034 1 25 . 1 1 4 4 GLU N N 15 120.623 0.045 . 1 . . . . . 465 GLU N . 27034 1 26 . 1 1 5 5 PHE H H 1 8.107 0.000 . 1 . . . . . 466 PHE H . 27034 1 27 . 1 1 5 5 PHE HA H 1 4.551 0.002 . 1 . . . . . 466 PHE HA . 27034 1 28 . 1 1 5 5 PHE HB2 H 1 2.967 0.009 . 2 . . . . . 466 PHE HB2 . 27034 1 29 . 1 1 5 5 PHE HB3 H 1 2.967 0.009 . 2 . . . . . 466 PHE HB3 . 27034 1 30 . 1 1 5 5 PHE HD1 H 1 7.158 0.010 . 1 . . . . . 466 PHE HD1 . 27034 1 31 . 1 1 5 5 PHE HD2 H 1 7.158 0.010 . 1 . . . . . 466 PHE HD2 . 27034 1 32 . 1 1 5 5 PHE C C 13 175.570 0.000 . 1 . . . . . 466 PHE C . 27034 1 33 . 1 1 5 5 PHE CA C 13 57.445 0.123 . 1 . . . . . 466 PHE CA . 27034 1 34 . 1 1 5 5 PHE CB C 13 39.445 0.093 . 1 . . . . . 466 PHE CB . 27034 1 35 . 1 1 5 5 PHE CD1 C 13 131.876 0.000 . 1 . . . . . 466 PHE CD1 . 27034 1 36 . 1 1 5 5 PHE N N 15 120.421 0.000 . 1 . . . . . 466 PHE N . 27034 1 37 . 1 1 6 6 MET HE1 H 1 1.931 0.000 . 1 . . . . . 467 MET HE . 27034 1 38 . 1 1 6 6 MET HE2 H 1 1.931 0.000 . 1 . . . . . 467 MET HE . 27034 1 39 . 1 1 6 6 MET HE3 H 1 1.931 0.000 . 1 . . . . . 467 MET HE . 27034 1 40 . 1 1 6 6 MET CE C 13 16.862 0.000 . 1 . . . . . 467 MET CE . 27034 1 41 . 1 1 7 7 GLY HA2 H 1 3.796 0.004 . 2 . . . . . 468 GLY HA2 . 27034 1 42 . 1 1 7 7 GLY HA3 H 1 3.796 0.004 . 2 . . . . . 468 GLY HA3 . 27034 1 43 . 1 1 7 7 GLY C C 13 173.690 0.012 . 1 . . . . . 468 GLY C . 27034 1 44 . 1 1 7 7 GLY CA C 13 45.264 0.024 . 1 . . . . . 468 GLY CA . 27034 1 45 . 1 1 8 8 VAL H H 1 7.873 0.001 . 1 . . . . . 469 VAL H . 27034 1 46 . 1 1 8 8 VAL HA H 1 4.126 0.005 . 1 . . . . . 469 VAL HA . 27034 1 47 . 1 1 8 8 VAL HB H 1 2.003 0.007 . 1 . . . . . 469 VAL HB . 27034 1 48 . 1 1 8 8 VAL HG11 H 1 0.848 0.001 . 2 . . . . . 469 VAL QG1 . 27034 1 49 . 1 1 8 8 VAL HG12 H 1 0.848 0.001 . 2 . . . . . 469 VAL QG1 . 27034 1 50 . 1 1 8 8 VAL HG13 H 1 0.848 0.001 . 2 . . . . . 469 VAL QG1 . 27034 1 51 . 1 1 8 8 VAL HG21 H 1 0.837 0.006 . 2 . . . . . 469 VAL QG2 . 27034 1 52 . 1 1 8 8 VAL HG22 H 1 0.837 0.006 . 2 . . . . . 469 VAL QG2 . 27034 1 53 . 1 1 8 8 VAL HG23 H 1 0.837 0.006 . 2 . . . . . 469 VAL QG2 . 27034 1 54 . 1 1 8 8 VAL C C 13 176.163 0.014 . 1 . . . . . 469 VAL C . 27034 1 55 . 1 1 8 8 VAL CA C 13 62.123 0.065 . 1 . . . . . 469 VAL CA . 27034 1 56 . 1 1 8 8 VAL CB C 13 32.950 0.058 . 1 . . . . . 469 VAL CB . 27034 1 57 . 1 1 8 8 VAL CG1 C 13 21.134 0.016 . 1 . . . . . 469 VAL CG1 . 27034 1 58 . 1 1 8 8 VAL CG2 C 13 20.407 0.007 . 1 . . . . . 469 VAL CG2 . 27034 1 59 . 1 1 8 8 VAL N N 15 119.043 0.023 . 1 . . . . . 469 VAL N . 27034 1 60 . 1 1 9 9 THR H H 1 8.240 0.012 . 1 . . . . . 470 THR H . 27034 1 61 . 1 1 9 9 THR HA H 1 4.280 0.010 . 1 . . . . . 470 THR HA . 27034 1 62 . 1 1 9 9 THR HB H 1 4.072 0.004 . 1 . . . . . 470 THR HB . 27034 1 63 . 1 1 9 9 THR HG21 H 1 1.102 0.004 . 1 . . . . . 470 THR QG2 . 27034 1 64 . 1 1 9 9 THR HG22 H 1 1.102 0.004 . 1 . . . . . 470 THR QG2 . 27034 1 65 . 1 1 9 9 THR HG23 H 1 1.102 0.004 . 1 . . . . . 470 THR QG2 . 27034 1 66 . 1 1 9 9 THR C C 13 174.162 0.007 . 1 . . . . . 470 THR C . 27034 1 67 . 1 1 9 9 THR CA C 13 61.721 0.061 . 1 . . . . . 470 THR CA . 27034 1 68 . 1 1 9 9 THR CB C 13 69.682 0.081 . 1 . . . . . 470 THR CB . 27034 1 69 . 1 1 9 9 THR CG2 C 13 21.672 0.018 . 1 . . . . . 470 THR CG2 . 27034 1 70 . 1 1 9 9 THR N N 15 118.952 0.065 . 1 . . . . . 470 THR N . 27034 1 71 . 1 1 10 10 LEU H H 1 8.289 0.000 . 1 . . . . . 471 LEU H . 27034 1 72 . 1 1 10 10 LEU HA H 1 4.319 0.005 . 1 . . . . . 471 LEU HA . 27034 1 73 . 1 1 10 10 LEU HG H 1 1.540 0.003 . 1 . . . . . 471 LEU HG . 27034 1 74 . 1 1 10 10 LEU HD11 H 1 0.822 0.000 . 2 . . . . . 471 LEU QD1 . 27034 1 75 . 1 1 10 10 LEU HD12 H 1 0.822 0.000 . 2 . . . . . 471 LEU QD1 . 27034 1 76 . 1 1 10 10 LEU HD13 H 1 0.822 0.000 . 2 . . . . . 471 LEU QD1 . 27034 1 77 . 1 1 10 10 LEU HD21 H 1 0.785 0.003 . 2 . . . . . 471 LEU QD2 . 27034 1 78 . 1 1 10 10 LEU HD22 H 1 0.785 0.003 . 2 . . . . . 471 LEU QD2 . 27034 1 79 . 1 1 10 10 LEU HD23 H 1 0.785 0.003 . 2 . . . . . 471 LEU QD2 . 27034 1 80 . 1 1 10 10 LEU C C 13 176.906 0.054 . 1 . . . . . 471 LEU C . 27034 1 81 . 1 1 10 10 LEU CA C 13 55.191 0.081 . 1 . . . . . 471 LEU CA . 27034 1 82 . 1 1 10 10 LEU CB C 13 42.187 0.079 . 1 . . . . . 471 LEU CB . 27034 1 83 . 1 1 10 10 LEU CG C 13 26.929 0.009 . 1 . . . . . 471 LEU CG . 27034 1 84 . 1 1 10 10 LEU CD1 C 13 24.819 0.029 . 1 . . . . . 471 LEU CD1 . 27034 1 85 . 1 1 10 10 LEU CD2 C 13 23.409 0.010 . 1 . . . . . 471 LEU CD2 . 27034 1 86 . 1 1 10 10 LEU N N 15 125.550 0.019 . 1 . . . . . 471 LEU N . 27034 1 87 . 1 1 11 11 GLU HA H 1 4.237 0.007 . 1 . . . . . 472 GLU HA . 27034 1 88 . 1 1 11 11 GLU HB2 H 1 1.968 0.000 . 2 . . . . . 472 GLU HB2 . 27034 1 89 . 1 1 11 11 GLU HB3 H 1 1.835 0.000 . 2 . . . . . 472 GLU HB3 . 27034 1 90 . 1 1 11 11 GLU HG2 H 1 2.172 0.002 . 2 . . . . . 472 GLU HG2 . 27034 1 91 . 1 1 11 11 GLU HG3 H 1 2.172 0.002 . 2 . . . . . 472 GLU HG3 . 27034 1 92 . 1 1 11 11 GLU C C 13 176.373 0.018 . 1 . . . . . 472 GLU C . 27034 1 93 . 1 1 11 11 GLU CA C 13 56.297 0.037 . 1 . . . . . 472 GLU CA . 27034 1 94 . 1 1 11 11 GLU CB C 13 30.755 0.048 . 1 . . . . . 472 GLU CB . 27034 1 95 . 1 1 11 11 GLU CG C 13 36.415 0.028 . 1 . . . . . 472 GLU CG . 27034 1 96 . 1 1 11 11 GLU N N 15 122.622 0.007 . 1 . . . . . 472 GLU N . 27034 1 97 . 1 1 12 12 GLY H H 1 8.206 0.005 . 1 . . . . . 473 GLY H . 27034 1 98 . 1 1 12 12 GLY HA2 H 1 4.096 0.008 . 2 . . . . . 473 GLY HA2 . 27034 1 99 . 1 1 12 12 GLY HA3 H 1 3.894 0.010 . 2 . . . . . 473 GLY HA3 . 27034 1 100 . 1 1 12 12 GLY C C 13 171.587 0.017 . 1 . . . . . 473 GLY C . 27034 1 101 . 1 1 12 12 GLY CA C 13 44.450 0.010 . 1 . . . . . 473 GLY CA . 27034 1 102 . 1 1 12 12 GLY N N 15 110.309 0.076 . 1 . . . . . 473 GLY N . 27034 1 103 . 1 1 13 13 PRO HA H 1 4.324 0.006 . 1 . . . . . 474 PRO HA . 27034 1 104 . 1 1 13 13 PRO HB2 H 1 2.203 0.001 . 2 . . . . . 474 PRO HB2 . 27034 1 105 . 1 1 13 13 PRO HB3 H 1 1.841 0.003 . 2 . . . . . 474 PRO HB3 . 27034 1 106 . 1 1 13 13 PRO HD2 H 1 3.512 0.009 . 2 . . . . . 474 PRO HD2 . 27034 1 107 . 1 1 13 13 PRO HD3 H 1 3.512 0.009 . 2 . . . . . 474 PRO HD3 . 27034 1 108 . 1 1 13 13 PRO C C 13 177.201 0.014 . 1 . . . . . 474 PRO C . 27034 1 109 . 1 1 13 13 PRO CA C 13 63.054 0.018 . 1 . . . . . 474 PRO CA . 27034 1 110 . 1 1 13 13 PRO CB C 13 32.154 0.028 . 1 . . . . . 474 PRO CB . 27034 1 111 . 1 1 13 13 PRO CG C 13 27.363 0.000 . 1 . . . . . 474 PRO CG . 27034 1 112 . 1 1 13 13 PRO CD C 13 49.796 0.105 . 1 . . . . . 474 PRO CD . 27034 1 113 . 1 1 13 13 PRO N N 15 134.466 0.002 . 1 . . . . . 474 PRO N . 27034 1 114 . 1 1 14 14 LYS H H 1 8.382 0.007 . 1 . . . . . 475 LYS H . 27034 1 115 . 1 1 14 14 LYS HA H 1 4.241 0.007 . 1 . . . . . 475 LYS HA . 27034 1 116 . 1 1 14 14 LYS HB2 H 1 1.741 0.000 . 2 . . . . . 475 LYS HB2 . 27034 1 117 . 1 1 14 14 LYS HB3 H 1 1.647 0.000 . 2 . . . . . 475 LYS HB3 . 27034 1 118 . 1 1 14 14 LYS HG2 H 1 1.382 0.000 . 2 . . . . . 475 LYS HG2 . 27034 1 119 . 1 1 14 14 LYS HG3 H 1 1.382 0.000 . 2 . . . . . 475 LYS HG3 . 27034 1 120 . 1 1 14 14 LYS HD2 H 1 1.353 0.000 . 2 . . . . . 475 LYS HD2 . 27034 1 121 . 1 1 14 14 LYS HD3 H 1 1.353 0.000 . 2 . . . . . 475 LYS HD3 . 27034 1 122 . 1 1 14 14 LYS HE2 H 1 2.949 0.000 . 2 . . . . . 475 LYS HE2 . 27034 1 123 . 1 1 14 14 LYS HE3 H 1 2.949 0.000 . 2 . . . . . 475 LYS HE3 . 27034 1 124 . 1 1 14 14 LYS C C 13 176.160 0.007 . 1 . . . . . 475 LYS C . 27034 1 125 . 1 1 14 14 LYS CA C 13 55.972 0.043 . 1 . . . . . 475 LYS CA . 27034 1 126 . 1 1 14 14 LYS CB C 13 33.020 0.080 . 1 . . . . . 475 LYS CB . 27034 1 127 . 1 1 14 14 LYS CG C 13 24.727 0.048 . 1 . . . . . 475 LYS CG . 27034 1 128 . 1 1 14 14 LYS CD C 13 29.067 0.000 . 1 . . . . . 475 LYS CD . 27034 1 129 . 1 1 14 14 LYS N N 15 121.162 0.074 . 1 . . . . . 475 LYS N . 27034 1 130 . 1 1 15 15 ASP H H 1 8.160 0.006 . 1 . . . . . 476 ASP H . 27034 1 131 . 1 1 15 15 ASP HA H 1 4.493 0.003 . 1 . . . . . 476 ASP HA . 27034 1 132 . 1 1 15 15 ASP HB2 H 1 2.564 0.000 . 2 . . . . . 476 ASP HB2 . 27034 1 133 . 1 1 15 15 ASP HB3 H 1 2.476 0.000 . 2 . . . . . 476 ASP HB3 . 27034 1 134 . 1 1 15 15 ASP C C 13 175.485 0.009 . 1 . . . . . 476 ASP C . 27034 1 135 . 1 1 15 15 ASP CA C 13 54.182 0.020 . 1 . . . . . 476 ASP CA . 27034 1 136 . 1 1 15 15 ASP CB C 13 41.067 0.032 . 1 . . . . . 476 ASP CB . 27034 1 137 . 1 1 15 15 ASP N N 15 120.434 0.095 . 1 . . . . . 476 ASP N . 27034 1 138 . 1 1 16 16 LEU H H 1 8.014 0.006 . 1 . . . . . 477 LEU H . 27034 1 139 . 1 1 16 16 LEU HA H 1 4.522 0.007 . 1 . . . . . 477 LEU HA . 27034 1 140 . 1 1 16 16 LEU HB2 H 1 1.462 0.007 . 2 . . . . . 477 LEU HB2 . 27034 1 141 . 1 1 16 16 LEU HB3 H 1 1.462 0.007 . 2 . . . . . 477 LEU HB3 . 27034 1 142 . 1 1 16 16 LEU HG H 1 1.567 0.002 . 1 . . . . . 477 LEU HG . 27034 1 143 . 1 1 16 16 LEU HD11 H 1 0.840 0.001 . 2 . . . . . 477 LEU QD1 . 27034 1 144 . 1 1 16 16 LEU HD12 H 1 0.840 0.001 . 2 . . . . . 477 LEU QD1 . 27034 1 145 . 1 1 16 16 LEU HD13 H 1 0.840 0.001 . 2 . . . . . 477 LEU QD1 . 27034 1 146 . 1 1 16 16 LEU HD21 H 1 0.818 0.002 . 2 . . . . . 477 LEU QD2 . 27034 1 147 . 1 1 16 16 LEU HD22 H 1 0.818 0.002 . 2 . . . . . 477 LEU QD2 . 27034 1 148 . 1 1 16 16 LEU HD23 H 1 0.818 0.002 . 2 . . . . . 477 LEU QD2 . 27034 1 149 . 1 1 16 16 LEU C C 13 174.670 0.023 . 1 . . . . . 477 LEU C . 27034 1 150 . 1 1 16 16 LEU CA C 13 52.846 0.046 . 1 . . . . . 477 LEU CA . 27034 1 151 . 1 1 16 16 LEU CB C 13 41.923 0.018 . 1 . . . . . 477 LEU CB . 27034 1 152 . 1 1 16 16 LEU CG C 13 26.905 0.026 . 1 . . . . . 477 LEU CG . 27034 1 153 . 1 1 16 16 LEU CD1 C 13 25.174 0.029 . 1 . . . . . 477 LEU CD1 . 27034 1 154 . 1 1 16 16 LEU CD2 C 13 23.410 0.019 . 1 . . . . . 477 LEU CD2 . 27034 1 155 . 1 1 16 16 LEU N N 15 123.102 0.001 . 1 . . . . . 477 LEU N . 27034 1 156 . 1 1 17 17 PRO HA H 1 4.594 0.015 . 1 . . . . . 478 PRO HA . 27034 1 157 . 1 1 17 17 PRO HB2 H 1 2.269 0.001 . 2 . . . . . 478 PRO HB2 . 27034 1 158 . 1 1 17 17 PRO HB3 H 1 1.808 0.006 . 2 . . . . . 478 PRO HB3 . 27034 1 159 . 1 1 17 17 PRO HG2 H 1 1.940 0.008 . 2 . . . . . 478 PRO HG2 . 27034 1 160 . 1 1 17 17 PRO HG3 H 1 1.940 0.008 . 2 . . . . . 478 PRO HG3 . 27034 1 161 . 1 1 17 17 PRO HD2 H 1 3.765 0.004 . 2 . . . . . 478 PRO HD2 . 27034 1 162 . 1 1 17 17 PRO HD3 H 1 3.507 0.003 . 2 . . . . . 478 PRO HD3 . 27034 1 163 . 1 1 17 17 PRO C C 13 174.708 0.005 . 1 . . . . . 478 PRO C . 27034 1 164 . 1 1 17 17 PRO CA C 13 61.439 0.037 . 1 . . . . . 478 PRO CA . 27034 1 165 . 1 1 17 17 PRO CB C 13 30.729 0.007 . 1 . . . . . 478 PRO CB . 27034 1 166 . 1 1 17 17 PRO CG C 13 27.351 0.000 . 1 . . . . . 478 PRO CG . 27034 1 167 . 1 1 17 17 PRO CD C 13 50.427 0.019 . 1 . . . . . 478 PRO CD . 27034 1 168 . 1 1 17 17 PRO N N 15 137.542 0.011 . 1 . . . . . 478 PRO N . 27034 1 169 . 1 1 18 18 PRO HA H 1 4.307 0.001 . 1 . . . . . 479 PRO HA . 27034 1 170 . 1 1 18 18 PRO HB2 H 1 2.208 0.007 . 2 . . . . . 479 PRO HB2 . 27034 1 171 . 1 1 18 18 PRO HB3 H 1 1.777 0.001 . 2 . . . . . 479 PRO HB3 . 27034 1 172 . 1 1 18 18 PRO HG2 H 1 1.912 0.001 . 2 . . . . . 479 PRO HG2 . 27034 1 173 . 1 1 18 18 PRO HG3 H 1 1.912 0.001 . 2 . . . . . 479 PRO HG3 . 27034 1 174 . 1 1 18 18 PRO HD2 H 1 3.718 0.000 . 2 . . . . . 479 PRO HD2 . 27034 1 175 . 1 1 18 18 PRO HD3 H 1 3.559 0.003 . 2 . . . . . 479 PRO HD3 . 27034 1 176 . 1 1 18 18 PRO C C 13 176.888 0.004 . 1 . . . . . 479 PRO C . 27034 1 177 . 1 1 18 18 PRO CA C 13 63.056 0.021 . 1 . . . . . 479 PRO CA . 27034 1 178 . 1 1 18 18 PRO CB C 13 31.954 0.025 . 1 . . . . . 479 PRO CB . 27034 1 179 . 1 1 18 18 PRO CG C 13 27.504 0.009 . 1 . . . . . 479 PRO CG . 27034 1 180 . 1 1 18 18 PRO CD C 13 50.443 0.074 . 1 . . . . . 479 PRO CD . 27034 1 181 . 1 1 18 18 PRO N N 15 135.116 0.007 . 1 . . . . . 479 PRO N . 27034 1 182 . 1 1 19 19 GLN H H 1 8.388 0.001 . 1 . . . . . 480 GLN H . 27034 1 183 . 1 1 19 19 GLN HA H 1 4.227 0.004 . 1 . . . . . 480 GLN HA . 27034 1 184 . 1 1 19 19 GLN HB2 H 1 1.998 0.003 . 2 . . . . . 480 GLN HB2 . 27034 1 185 . 1 1 19 19 GLN HB3 H 1 1.886 0.004 . 2 . . . . . 480 GLN HB3 . 27034 1 186 . 1 1 19 19 GLN HG2 H 1 2.282 0.002 . 2 . . . . . 480 GLN HG2 . 27034 1 187 . 1 1 19 19 GLN HG3 H 1 2.282 0.002 . 2 . . . . . 480 GLN HG3 . 27034 1 188 . 1 1 19 19 GLN HE21 H 1 7.494 0.000 . 2 . . . . . 480 GLN HE21 . 27034 1 189 . 1 1 19 19 GLN HE22 H 1 6.804 0.000 . 2 . . . . . 480 GLN HE22 . 27034 1 190 . 1 1 19 19 GLN C C 13 175.876 0.003 . 1 . . . . . 480 GLN C . 27034 1 191 . 1 1 19 19 GLN CA C 13 55.665 0.048 . 1 . . . . . 480 GLN CA . 27034 1 192 . 1 1 19 19 GLN CB C 13 29.292 0.056 . 1 . . . . . 480 GLN CB . 27034 1 193 . 1 1 19 19 GLN CG C 13 33.796 0.063 . 1 . . . . . 480 GLN CG . 27034 1 194 . 1 1 19 19 GLN N N 15 120.296 0.089 . 1 . . . . . 480 GLN N . 27034 1 195 . 1 1 19 19 GLN NE2 N 15 112.752 0.000 . 1 . . . . . 480 GLN NE2 . 27034 1 196 . 1 1 20 20 LEU H H 1 8.185 0.001 . 1 . . . . . 481 LEU H . 27034 1 197 . 1 1 20 20 LEU HA H 1 4.270 0.002 . 1 . . . . . 481 LEU HA . 27034 1 198 . 1 1 20 20 LEU HB2 H 1 1.541 0.000 . 2 . . . . . 481 LEU HB2 . 27034 1 199 . 1 1 20 20 LEU HB3 H 1 1.505 0.000 . 2 . . . . . 481 LEU HB3 . 27034 1 200 . 1 1 20 20 LEU HG H 1 1.420 0.005 . 1 . . . . . 481 LEU HG . 27034 1 201 . 1 1 20 20 LEU HD11 H 1 0.837 0.001 . 2 . . . . . 481 LEU QD1 . 27034 1 202 . 1 1 20 20 LEU HD12 H 1 0.837 0.001 . 2 . . . . . 481 LEU QD1 . 27034 1 203 . 1 1 20 20 LEU HD13 H 1 0.837 0.001 . 2 . . . . . 481 LEU QD1 . 27034 1 204 . 1 1 20 20 LEU HD21 H 1 0.809 0.001 . 2 . . . . . 481 LEU QD2 . 27034 1 205 . 1 1 20 20 LEU HD22 H 1 0.809 0.001 . 2 . . . . . 481 LEU QD2 . 27034 1 206 . 1 1 20 20 LEU HD23 H 1 0.809 0.001 . 2 . . . . . 481 LEU QD2 . 27034 1 207 . 1 1 20 20 LEU C C 13 177.336 0.011 . 1 . . . . . 481 LEU C . 27034 1 208 . 1 1 20 20 LEU CA C 13 55.286 0.102 . 1 . . . . . 481 LEU CA . 27034 1 209 . 1 1 20 20 LEU CB C 13 42.365 0.085 . 1 . . . . . 481 LEU CB . 27034 1 210 . 1 1 20 20 LEU CG C 13 27.044 0.071 . 1 . . . . . 481 LEU CG . 27034 1 211 . 1 1 20 20 LEU CD1 C 13 24.899 0.075 . 1 . . . . . 481 LEU CD1 . 27034 1 212 . 1 1 20 20 LEU CD2 C 13 23.599 0.098 . 1 . . . . . 481 LEU CD2 . 27034 1 213 . 1 1 20 20 LEU N N 15 123.396 0.064 . 1 . . . . . 481 LEU N . 27034 1 214 . 1 1 21 21 GLU H H 1 8.346 0.000 . 1 . . . . . 482 GLU H . 27034 1 215 . 1 1 21 21 GLU HA H 1 4.202 0.004 . 1 . . . . . 482 GLU HA . 27034 1 216 . 1 1 21 21 GLU HB2 H 1 1.974 0.001 . 2 . . . . . 482 GLU HB2 . 27034 1 217 . 1 1 21 21 GLU HB3 H 1 1.851 0.000 . 2 . . . . . 482 GLU HB3 . 27034 1 218 . 1 1 21 21 GLU HG2 H 1 2.175 0.000 . 2 . . . . . 482 GLU HG2 . 27034 1 219 . 1 1 21 21 GLU HG3 H 1 2.175 0.000 . 2 . . . . . 482 GLU HG3 . 27034 1 220 . 1 1 21 21 GLU C C 13 176.563 0.005 . 1 . . . . . 482 GLU C . 27034 1 221 . 1 1 21 21 GLU CA C 13 56.761 0.070 . 1 . . . . . 482 GLU CA . 27034 1 222 . 1 1 21 21 GLU CB C 13 30.231 0.027 . 1 . . . . . 482 GLU CB . 27034 1 223 . 1 1 21 21 GLU CG C 13 36.395 0.014 . 1 . . . . . 482 GLU CG . 27034 1 224 . 1 1 21 21 GLU N N 15 121.581 0.026 . 1 . . . . . 482 GLU N . 27034 1 225 . 1 1 22 22 SER H H 1 8.255 0.002 . 1 . . . . . 483 SER H . 27034 1 226 . 1 1 22 22 SER HA H 1 4.327 0.008 . 1 . . . . . 483 SER HA . 27034 1 227 . 1 1 22 22 SER HB2 H 1 3.806 0.000 . 2 . . . . . 483 SER HB2 . 27034 1 228 . 1 1 22 22 SER HB3 H 1 3.806 0.000 . 2 . . . . . 483 SER HB3 . 27034 1 229 . 1 1 22 22 SER C C 13 174.492 0.004 . 1 . . . . . 483 SER C . 27034 1 230 . 1 1 22 22 SER CA C 13 58.416 0.037 . 1 . . . . . 483 SER CA . 27034 1 231 . 1 1 22 22 SER CB C 13 63.689 0.004 . 1 . . . . . 483 SER CB . 27034 1 232 . 1 1 22 22 SER N N 15 116.368 0.034 . 1 . . . . . 483 SER N . 27034 1 233 . 1 1 23 23 ASN H H 1 8.412 0.003 . 1 . . . . . 484 ASN H . 27034 1 234 . 1 1 23 23 ASN HA H 1 4.635 0.010 . 1 . . . . . 484 ASN HA . 27034 1 235 . 1 1 23 23 ASN HB2 H 1 2.776 0.000 . 2 . . . . . 484 ASN HB2 . 27034 1 236 . 1 1 23 23 ASN HB3 H 1 2.723 0.000 . 2 . . . . . 484 ASN HB3 . 27034 1 237 . 1 1 23 23 ASN C C 13 175.368 0.007 . 1 . . . . . 484 ASN C . 27034 1 238 . 1 1 23 23 ASN CA C 13 53.185 0.059 . 1 . . . . . 484 ASN CA . 27034 1 239 . 1 1 23 23 ASN CB C 13 38.598 0.056 . 1 . . . . . 484 ASN CB . 27034 1 240 . 1 1 23 23 ASN N N 15 120.638 0.024 . 1 . . . . . 484 ASN N . 27034 1 241 . 1 1 24 24 GLN H H 1 8.286 0.000 . 1 . . . . . 485 GLN H . 27034 1 242 . 1 1 24 24 GLN HA H 1 4.195 0.008 . 1 . . . . . 485 GLN HA . 27034 1 243 . 1 1 24 24 GLN HB2 H 1 2.078 0.007 . 2 . . . . . 485 GLN HB2 . 27034 1 244 . 1 1 24 24 GLN HB3 H 1 1.897 0.002 . 2 . . . . . 485 GLN HB3 . 27034 1 245 . 1 1 24 24 GLN HG2 H 1 2.284 0.001 . 2 . . . . . 485 GLN HG2 . 27034 1 246 . 1 1 24 24 GLN HG3 H 1 2.284 0.001 . 2 . . . . . 485 GLN HG3 . 27034 1 247 . 1 1 24 24 GLN C C 13 176.556 0.004 . 1 . . . . . 485 GLN C . 27034 1 248 . 1 1 24 24 GLN CA C 13 56.358 0.041 . 1 . . . . . 485 GLN CA . 27034 1 249 . 1 1 24 24 GLN CB C 13 29.153 0.025 . 1 . . . . . 485 GLN CB . 27034 1 250 . 1 1 24 24 GLN CG C 13 33.809 0.092 . 1 . . . . . 485 GLN CG . 27034 1 251 . 1 1 24 24 GLN N N 15 120.218 0.013 . 1 . . . . . 485 GLN N . 27034 1 252 . 1 1 25 25 GLY H H 1 8.318 0.001 . 1 . . . . . 486 GLY H . 27034 1 253 . 1 1 25 25 GLY HA2 H 1 3.833 0.000 . 2 . . . . . 486 GLY HA2 . 27034 1 254 . 1 1 25 25 GLY HA3 H 1 3.833 0.000 . 2 . . . . . 486 GLY HA3 . 27034 1 255 . 1 1 25 25 GLY C C 13 173.959 0.005 . 1 . . . . . 486 GLY C . 27034 1 256 . 1 1 25 25 GLY CA C 13 45.234 0.008 . 1 . . . . . 486 GLY CA . 27034 1 257 . 1 1 25 25 GLY N N 15 109.407 0.007 . 1 . . . . . 486 GLY N . 27034 1 258 . 1 1 26 26 ALA H H 1 8.066 0.000 . 1 . . . . . 487 ALA H . 27034 1 259 . 1 1 26 26 ALA HA H 1 4.227 0.009 . 1 . . . . . 487 ALA HA . 27034 1 260 . 1 1 26 26 ALA HB1 H 1 1.299 0.001 . 1 . . . . . 487 ALA HB . 27034 1 261 . 1 1 26 26 ALA HB2 H 1 1.299 0.001 . 1 . . . . . 487 ALA HB . 27034 1 262 . 1 1 26 26 ALA HB3 H 1 1.299 0.001 . 1 . . . . . 487 ALA HB . 27034 1 263 . 1 1 26 26 ALA C C 13 177.956 0.005 . 1 . . . . . 487 ALA C . 27034 1 264 . 1 1 26 26 ALA CA C 13 52.573 0.053 . 1 . . . . . 487 ALA CA . 27034 1 265 . 1 1 26 26 ALA CB C 13 19.057 0.040 . 1 . . . . . 487 ALA CB . 27034 1 266 . 1 1 26 26 ALA N N 15 123.740 0.004 . 1 . . . . . 487 ALA N . 27034 1 267 . 1 1 27 27 ARG H H 1 8.268 0.001 . 1 . . . . . 488 ARG H . 27034 1 268 . 1 1 27 27 ARG HA H 1 4.244 0.002 . 1 . . . . . 488 ARG HA . 27034 1 269 . 1 1 27 27 ARG HB2 H 1 1.759 0.004 . 2 . . . . . 488 ARG HB2 . 27034 1 270 . 1 1 27 27 ARG HB3 H 1 1.759 0.004 . 2 . . . . . 488 ARG HB3 . 27034 1 271 . 1 1 27 27 ARG HG2 H 1 1.585 0.024 . 2 . . . . . 488 ARG HG2 . 27034 1 272 . 1 1 27 27 ARG HG3 H 1 1.585 0.024 . 2 . . . . . 488 ARG HG3 . 27034 1 273 . 1 1 27 27 ARG HD2 H 1 3.119 0.001 . 2 . . . . . 488 ARG HD2 . 27034 1 274 . 1 1 27 27 ARG HD3 H 1 3.119 0.001 . 2 . . . . . 488 ARG HD3 . 27034 1 275 . 1 1 27 27 ARG C C 13 176.981 0.002 . 1 . . . . . 488 ARG C . 27034 1 276 . 1 1 27 27 ARG CA C 13 56.239 0.033 . 1 . . . . . 488 ARG CA . 27034 1 277 . 1 1 27 27 ARG CB C 13 30.619 0.035 . 1 . . . . . 488 ARG CB . 27034 1 278 . 1 1 27 27 ARG CG C 13 27.174 0.041 . 1 . . . . . 488 ARG CG . 27034 1 279 . 1 1 27 27 ARG CD C 13 43.502 0.000 . 1 . . . . . 488 ARG CD . 27034 1 280 . 1 1 27 27 ARG N N 15 120.050 0.006 . 1 . . . . . 488 ARG N . 27034 1 281 . 1 1 28 28 GLY H H 1 8.320 0.000 . 1 . . . . . 489 GLY H . 27034 1 282 . 1 1 28 28 GLY HA2 H 1 3.910 0.001 . 2 . . . . . 489 GLY HA2 . 27034 1 283 . 1 1 28 28 GLY HA3 H 1 3.910 0.001 . 2 . . . . . 489 GLY HA3 . 27034 1 284 . 1 1 28 28 GLY C C 13 173.551 0.000 . 1 . . . . . 489 GLY C . 27034 1 285 . 1 1 28 28 GLY CA C 13 45.135 0.001 . 1 . . . . . 489 GLY CA . 27034 1 286 . 1 1 28 28 GLY N N 15 109.814 0.016 . 1 . . . . . 489 GLY N . 27034 1 287 . 1 1 29 29 SER HA H 1 4.386 0.003 . 1 . . . . . 490 SER HA . 27034 1 288 . 1 1 29 29 SER HB2 H 1 3.821 0.001 . 2 . . . . . 490 SER HB2 . 27034 1 289 . 1 1 29 29 SER HB3 H 1 3.821 0.001 . 2 . . . . . 490 SER HB3 . 27034 1 290 . 1 1 29 29 SER C C 13 175.234 0.005 . 1 . . . . . 490 SER C . 27034 1 291 . 1 1 29 29 SER CA C 13 58.593 0.020 . 1 . . . . . 490 SER CA . 27034 1 292 . 1 1 29 29 SER CB C 13 63.994 0.029 . 1 . . . . . 490 SER CB . 27034 1 293 . 1 1 29 29 SER N N 15 115.721 0.000 . 1 . . . . . 490 SER N . 27034 1 294 . 1 1 30 30 GLY H H 1 8.473 0.000 . 1 . . . . . 491 GLY H . 27034 1 295 . 1 1 30 30 GLY HA2 H 1 3.918 0.004 . 2 . . . . . 491 GLY HA2 . 27034 1 296 . 1 1 30 30 GLY HA3 H 1 3.918 0.004 . 2 . . . . . 491 GLY HA3 . 27034 1 297 . 1 1 30 30 GLY C C 13 174.279 0.018 . 1 . . . . . 491 GLY C . 27034 1 298 . 1 1 30 30 GLY CA C 13 45.326 0.056 . 1 . . . . . 491 GLY CA . 27034 1 299 . 1 1 30 30 GLY N N 15 111.019 0.033 . 1 . . . . . 491 GLY N . 27034 1 300 . 1 1 31 31 SER H H 1 8.144 0.002 . 1 . . . . . 492 SER H . 27034 1 301 . 1 1 31 31 SER HA H 1 4.375 0.008 . 1 . . . . . 492 SER HA . 27034 1 302 . 1 1 31 31 SER HB2 H 1 3.792 0.010 . 2 . . . . . 492 SER HB2 . 27034 1 303 . 1 1 31 31 SER HB3 H 1 3.792 0.010 . 2 . . . . . 492 SER HB3 . 27034 1 304 . 1 1 31 31 SER C C 13 174.548 0.008 . 1 . . . . . 492 SER C . 27034 1 305 . 1 1 31 31 SER CA C 13 58.314 0.022 . 1 . . . . . 492 SER CA . 27034 1 306 . 1 1 31 31 SER CB C 13 63.904 0.059 . 1 . . . . . 492 SER CB . 27034 1 307 . 1 1 31 31 SER N N 15 115.665 0.029 . 1 . . . . . 492 SER N . 27034 1 308 . 1 1 32 32 ALA H H 1 8.334 0.000 . 1 . . . . . 493 ALA H . 27034 1 309 . 1 1 32 32 ALA HA H 1 4.229 0.015 . 1 . . . . . 493 ALA HA . 27034 1 310 . 1 1 32 32 ALA HB1 H 1 1.310 0.002 . 1 . . . . . 493 ALA HB . 27034 1 311 . 1 1 32 32 ALA HB2 H 1 1.310 0.002 . 1 . . . . . 493 ALA HB . 27034 1 312 . 1 1 32 32 ALA HB3 H 1 1.310 0.002 . 1 . . . . . 493 ALA HB . 27034 1 313 . 1 1 32 32 ALA C C 13 177.519 0.005 . 1 . . . . . 493 ALA C . 27034 1 314 . 1 1 32 32 ALA CA C 13 52.866 0.049 . 1 . . . . . 493 ALA CA . 27034 1 315 . 1 1 32 32 ALA CB C 13 19.048 0.113 . 1 . . . . . 493 ALA CB . 27034 1 316 . 1 1 32 32 ALA N N 15 125.699 0.014 . 1 . . . . . 493 ALA N . 27034 1 317 . 1 1 33 33 ASN H H 1 8.251 0.000 . 1 . . . . . 494 ASN H . 27034 1 318 . 1 1 33 33 ASN HA H 1 4.625 0.007 . 1 . . . . . 494 ASN HA . 27034 1 319 . 1 1 33 33 ASN HB2 H 1 2.708 0.000 . 2 . . . . . 494 ASN HB2 . 27034 1 320 . 1 1 33 33 ASN HB3 H 1 2.708 0.000 . 2 . . . . . 494 ASN HB3 . 27034 1 321 . 1 1 33 33 ASN C C 13 175.203 0.002 . 1 . . . . . 494 ASN C . 27034 1 322 . 1 1 33 33 ASN CA C 13 53.086 0.071 . 1 . . . . . 494 ASN CA . 27034 1 323 . 1 1 33 33 ASN CB C 13 38.813 0.047 . 1 . . . . . 494 ASN CB . 27034 1 324 . 1 1 33 33 ASN N N 15 117.187 0.030 . 1 . . . . . 494 ASN N . 27034 1 325 . 1 1 34 34 SER H H 1 8.112 0.000 . 1 . . . . . 495 SER H . 27034 1 326 . 1 1 34 34 SER HA H 1 4.408 0.005 . 1 . . . . . 495 SER HA . 27034 1 327 . 1 1 34 34 SER HB2 H 1 3.784 0.001 . 2 . . . . . 495 SER HB2 . 27034 1 328 . 1 1 34 34 SER HB3 H 1 3.784 0.001 . 2 . . . . . 495 SER HB3 . 27034 1 329 . 1 1 34 34 SER C C 13 174.626 0.010 . 1 . . . . . 495 SER C . 27034 1 330 . 1 1 34 34 SER CA C 13 58.372 0.024 . 1 . . . . . 495 SER CA . 27034 1 331 . 1 1 34 34 SER CB C 13 63.805 0.043 . 1 . . . . . 495 SER CB . 27034 1 332 . 1 1 34 34 SER N N 15 116.010 0.017 . 1 . . . . . 495 SER N . 27034 1 333 . 1 1 35 35 VAL H H 1 8.094 0.006 . 1 . . . . . 496 VAL H . 27034 1 334 . 1 1 35 35 VAL HA H 1 4.065 0.004 . 1 . . . . . 496 VAL HA . 27034 1 335 . 1 1 35 35 VAL HB H 1 2.032 0.003 . 1 . . . . . 496 VAL HB . 27034 1 336 . 1 1 35 35 VAL HG11 H 1 0.865 0.002 . 2 . . . . . 496 VAL QG1 . 27034 1 337 . 1 1 35 35 VAL HG12 H 1 0.865 0.002 . 2 . . . . . 496 VAL QG1 . 27034 1 338 . 1 1 35 35 VAL HG13 H 1 0.865 0.002 . 2 . . . . . 496 VAL QG1 . 27034 1 339 . 1 1 35 35 VAL HG21 H 1 0.873 0.002 . 2 . . . . . 496 VAL QG2 . 27034 1 340 . 1 1 35 35 VAL HG22 H 1 0.873 0.002 . 2 . . . . . 496 VAL QG2 . 27034 1 341 . 1 1 35 35 VAL HG23 H 1 0.873 0.002 . 2 . . . . . 496 VAL QG2 . 27034 1 342 . 1 1 35 35 VAL C C 13 176.759 0.002 . 1 . . . . . 496 VAL C . 27034 1 343 . 1 1 35 35 VAL CA C 13 62.621 0.079 . 1 . . . . . 496 VAL CA . 27034 1 344 . 1 1 35 35 VAL CB C 13 32.453 0.048 . 1 . . . . . 496 VAL CB . 27034 1 345 . 1 1 35 35 VAL CG1 C 13 21.029 0.031 . 1 . . . . . 496 VAL CG1 . 27034 1 346 . 1 1 35 35 VAL CG2 C 13 20.419 0.015 . 1 . . . . . 496 VAL CG2 . 27034 1 347 . 1 1 35 35 VAL N N 15 121.491 0.012 . 1 . . . . . 496 VAL N . 27034 1 348 . 1 1 36 36 GLY H H 1 8.376 0.010 . 1 . . . . . 497 GLY H . 27034 1 349 . 1 1 36 36 GLY HA2 H 1 3.903 0.003 . 2 . . . . . 497 GLY HA2 . 27034 1 350 . 1 1 36 36 GLY HA3 H 1 3.903 0.003 . 2 . . . . . 497 GLY HA3 . 27034 1 351 . 1 1 36 36 GLY C C 13 174.175 0.001 . 1 . . . . . 497 GLY C . 27034 1 352 . 1 1 36 36 GLY CA C 13 45.239 0.013 . 1 . . . . . 497 GLY CA . 27034 1 353 . 1 1 36 36 GLY N N 15 112.218 0.007 . 1 . . . . . 497 GLY N . 27034 1 354 . 1 1 38 38 SER CA C 13 58.569 0.000 . 1 . . . . . 499 SER CA . 27034 1 355 . 1 1 38 38 SER CB C 13 63.757 0.000 . 1 . . . . . 499 SER CB . 27034 1 356 . 1 1 39 39 THR H H 1 8.150 0.004 . 1 . . . . . 500 THR H . 27034 1 357 . 1 1 39 39 THR HA H 1 4.330 0.008 . 1 . . . . . 500 THR HA . 27034 1 358 . 1 1 39 39 THR HB H 1 4.184 0.003 . 1 . . . . . 500 THR HB . 27034 1 359 . 1 1 39 39 THR HG21 H 1 1.123 0.004 . 1 . . . . . 500 THR QG2 . 27034 1 360 . 1 1 39 39 THR HG22 H 1 1.123 0.004 . 1 . . . . . 500 THR QG2 . 27034 1 361 . 1 1 39 39 THR HG23 H 1 1.123 0.004 . 1 . . . . . 500 THR QG2 . 27034 1 362 . 1 1 39 39 THR C C 13 174.707 0.007 . 1 . . . . . 500 THR C . 27034 1 363 . 1 1 39 39 THR CA C 13 61.911 0.035 . 1 . . . . . 500 THR CA . 27034 1 364 . 1 1 39 39 THR CB C 13 69.524 0.103 . 1 . . . . . 500 THR CB . 27034 1 365 . 1 1 39 39 THR CG2 C 13 21.705 0.032 . 1 . . . . . 500 THR CG2 . 27034 1 366 . 1 1 39 39 THR N N 15 115.539 0.009 . 1 . . . . . 500 THR N . 27034 1 367 . 1 1 40 40 THR H H 1 8.031 0.002 . 1 . . . . . 501 THR H . 27034 1 368 . 1 1 40 40 THR HA H 1 4.254 0.005 . 1 . . . . . 501 THR HA . 27034 1 369 . 1 1 40 40 THR HB H 1 4.093 0.002 . 1 . . . . . 501 THR HB . 27034 1 370 . 1 1 40 40 THR HG21 H 1 1.104 0.002 . 1 . . . . . 501 THR QG2 . 27034 1 371 . 1 1 40 40 THR HG22 H 1 1.104 0.002 . 1 . . . . . 501 THR QG2 . 27034 1 372 . 1 1 40 40 THR HG23 H 1 1.104 0.002 . 1 . . . . . 501 THR QG2 . 27034 1 373 . 1 1 40 40 THR C C 13 174.115 0.001 . 1 . . . . . 501 THR C . 27034 1 374 . 1 1 40 40 THR CA C 13 61.853 0.064 . 1 . . . . . 501 THR CA . 27034 1 375 . 1 1 40 40 THR CB C 13 69.645 0.088 . 1 . . . . . 501 THR CB . 27034 1 376 . 1 1 40 40 THR CG2 C 13 21.789 0.050 . 1 . . . . . 501 THR CG2 . 27034 1 377 . 1 1 40 40 THR N N 15 116.532 0.006 . 1 . . . . . 501 THR N . 27034 1 378 . 1 1 41 41 ARG H H 1 8.232 0.004 . 1 . . . . . 502 ARG H . 27034 1 379 . 1 1 41 41 ARG HA H 1 4.542 0.002 . 1 . . . . . 502 ARG HA . 27034 1 380 . 1 1 41 41 ARG HB2 H 1 1.749 0.000 . 2 . . . . . 502 ARG HB2 . 27034 1 381 . 1 1 41 41 ARG HB3 H 1 1.647 0.000 . 2 . . . . . 502 ARG HB3 . 27034 1 382 . 1 1 41 41 ARG HG2 H 1 1.586 0.000 . 2 . . . . . 502 ARG HG2 . 27034 1 383 . 1 1 41 41 ARG HG3 H 1 1.586 0.000 . 2 . . . . . 502 ARG HG3 . 27034 1 384 . 1 1 41 41 ARG HD2 H 1 3.116 0.000 . 2 . . . . . 502 ARG HD2 . 27034 1 385 . 1 1 41 41 ARG HD3 H 1 3.116 0.000 . 2 . . . . . 502 ARG HD3 . 27034 1 386 . 1 1 41 41 ARG C C 13 174.002 0.000 . 1 . . . . . 502 ARG C . 27034 1 387 . 1 1 41 41 ARG CA C 13 53.939 0.048 . 1 . . . . . 502 ARG CA . 27034 1 388 . 1 1 41 41 ARG CB C 13 30.176 0.025 . 1 . . . . . 502 ARG CB . 27034 1 389 . 1 1 41 41 ARG CG C 13 26.745 0.022 . 1 . . . . . 502 ARG CG . 27034 1 390 . 1 1 41 41 ARG CD C 13 43.352 0.001 . 1 . . . . . 502 ARG CD . 27034 1 391 . 1 1 41 41 ARG N N 15 124.908 0.003 . 1 . . . . . 502 ARG N . 27034 1 392 . 1 1 42 42 PRO HA H 1 4.311 0.001 . 1 . . . . . 503 PRO HA . 27034 1 393 . 1 1 42 42 PRO HB2 H 1 2.208 0.000 . 2 . . . . . 503 PRO HB2 . 27034 1 394 . 1 1 42 42 PRO HB3 H 1 1.805 0.000 . 2 . . . . . 503 PRO HB3 . 27034 1 395 . 1 1 42 42 PRO HD2 H 1 3.715 0.002 . 2 . . . . . 503 PRO HD2 . 27034 1 396 . 1 1 42 42 PRO HD3 H 1 3.512 0.007 . 2 . . . . . 503 PRO HD3 . 27034 1 397 . 1 1 42 42 PRO CA C 13 62.856 0.004 . 1 . . . . . 503 PRO CA . 27034 1 398 . 1 1 42 42 PRO CB C 13 32.174 0.000 . 1 . . . . . 503 PRO CB . 27034 1 399 . 1 1 42 42 PRO CG C 13 27.405 0.000 . 1 . . . . . 503 PRO CG . 27034 1 400 . 1 1 42 42 PRO CD C 13 50.500 0.054 . 1 . . . . . 503 PRO CD . 27034 1 401 . 1 1 43 43 LYS H H 1 8.400 0.004 . 1 . . . . . 504 LYS H . 27034 1 402 . 1 1 43 43 LYS HA H 1 4.193 0.000 . 1 . . . . . 504 LYS HA . 27034 1 403 . 1 1 43 43 LYS HB2 H 1 1.696 0.000 . 2 . . . . . 504 LYS HB2 . 27034 1 404 . 1 1 43 43 LYS HB3 H 1 1.696 0.000 . 2 . . . . . 504 LYS HB3 . 27034 1 405 . 1 1 43 43 LYS HG2 H 1 1.359 0.000 . 2 . . . . . 504 LYS HG2 . 27034 1 406 . 1 1 43 43 LYS HG3 H 1 1.359 0.000 . 2 . . . . . 504 LYS HG3 . 27034 1 407 . 1 1 43 43 LYS C C 13 176.485 0.000 . 1 . . . . . 504 LYS C . 27034 1 408 . 1 1 43 43 LYS CA C 13 56.132 0.018 . 1 . . . . . 504 LYS CA . 27034 1 409 . 1 1 43 43 LYS CB C 13 33.133 0.033 . 1 . . . . . 504 LYS CB . 27034 1 410 . 1 1 43 43 LYS CG C 13 24.885 0.040 . 1 . . . . . 504 LYS CG . 27034 1 411 . 1 1 43 43 LYS CD C 13 29.209 0.000 . 1 . . . . . 504 LYS CD . 27034 1 412 . 1 1 43 43 LYS N N 15 121.745 0.054 . 1 . . . . . 504 LYS N . 27034 1 413 . 1 1 44 44 SER H H 1 8.279 0.007 . 1 . . . . . 505 SER H . 27034 1 414 . 1 1 44 44 SER HB2 H 1 3.701 0.002 . 2 . . . . . 505 SER HB2 . 27034 1 415 . 1 1 44 44 SER HB3 H 1 3.673 0.000 . 2 . . . . . 505 SER HB3 . 27034 1 416 . 1 1 44 44 SER C C 13 172.734 0.040 . 1 . . . . . 505 SER C . 27034 1 417 . 1 1 44 44 SER CA C 13 56.147 0.000 . 1 . . . . . 505 SER CA . 27034 1 418 . 1 1 44 44 SER CB C 13 63.463 0.056 . 1 . . . . . 505 SER CB . 27034 1 419 . 1 1 44 44 SER N N 15 118.125 0.000 . 1 . . . . . 505 SER N . 27034 1 420 . 1 1 45 45 PRO HA H 1 4.339 0.009 . 1 . . . . . 506 PRO HA . 27034 1 421 . 1 1 45 45 PRO C C 13 176.016 0.000 . 1 . . . . . 506 PRO C . 27034 1 422 . 1 1 45 45 PRO CA C 13 62.925 0.060 . 1 . . . . . 506 PRO CA . 27034 1 423 . 1 1 45 45 PRO CB C 13 32.073 0.065 . 1 . . . . . 506 PRO CB . 27034 1 424 . 1 1 45 45 PRO CG C 13 27.145 0.011 . 1 . . . . . 506 PRO CG . 27034 1 425 . 1 1 45 45 PRO N N 15 138.035 0.000 . 1 . . . . . 506 PRO N . 27034 1 426 . 1 1 46 46 TRP H H 1 8.035 0.010 . 1 . . . . . 507 TRP H . 27034 1 427 . 1 1 46 46 TRP HA H 1 4.575 0.000 . 1 . . . . . 507 TRP HA . 27034 1 428 . 1 1 46 46 TRP HB2 H 1 3.004 0.010 . 2 . . . . . 507 TRP HB2 . 27034 1 429 . 1 1 46 46 TRP HB3 H 1 3.004 0.010 . 2 . . . . . 507 TRP HB3 . 27034 1 430 . 1 1 46 46 TRP HD1 H 1 7.086 0.010 . 1 . . . . . 507 TRP HD1 . 27034 1 431 . 1 1 46 46 TRP HE1 H 1 10.057 0.009 . 1 . . . . . 507 TRP HE1 . 27034 1 432 . 1 1 46 46 TRP HE3 H 1 7.418 0.000 . 1 . . . . . 507 TRP HE3 . 27034 1 433 . 1 1 46 46 TRP HZ2 H 1 7.309 0.015 . 1 . . . . . 507 TRP HZ2 . 27034 1 434 . 1 1 46 46 TRP HZ3 H 1 6.914 0.008 . 1 . . . . . 507 TRP HZ3 . 27034 1 435 . 1 1 46 46 TRP HH2 H 1 7.009 0.006 . 1 . . . . . 507 TRP HH2 . 27034 1 436 . 1 1 46 46 TRP CA C 13 57.011 0.000 . 1 . . . . . 507 TRP CA . 27034 1 437 . 1 1 46 46 TRP CB C 13 29.906 0.000 . 1 . . . . . 507 TRP CB . 27034 1 438 . 1 1 46 46 TRP CD1 C 13 127.026 0.067 . 1 . . . . . 507 TRP CD1 . 27034 1 439 . 1 1 46 46 TRP CE3 C 13 120.701 0.000 . 1 . . . . . 507 TRP CE3 . 27034 1 440 . 1 1 46 46 TRP CZ2 C 13 114.352 0.109 . 1 . . . . . 507 TRP CZ2 . 27034 1 441 . 1 1 46 46 TRP CZ3 C 13 121.499 0.000 . 1 . . . . . 507 TRP CZ3 . 27034 1 442 . 1 1 46 46 TRP CH2 C 13 124.107 0.044 . 1 . . . . . 507 TRP CH2 . 27034 1 443 . 1 1 46 46 TRP N N 15 121.108 0.002 . 1 . . . . . 507 TRP N . 27034 1 444 . 1 1 46 46 TRP NE1 N 15 129.443 0.000 . 1 . . . . . 507 TRP NE1 . 27034 1 445 . 1 1 47 47 MET HA H 1 4.538 0.002 . 1 . . . . . 508 MET HA . 27034 1 446 . 1 1 47 47 MET HE1 H 1 1.864 0.003 . 1 . . . . . 508 MET HE . 27034 1 447 . 1 1 47 47 MET HE2 H 1 1.864 0.003 . 1 . . . . . 508 MET HE . 27034 1 448 . 1 1 47 47 MET HE3 H 1 1.864 0.003 . 1 . . . . . 508 MET HE . 27034 1 449 . 1 1 47 47 MET CE C 13 17.080 0.007 . 1 . . . . . 508 MET CE . 27034 1 450 . 1 1 51 51 THR HA H 1 3.910 0.003 . 1 . . . . . 512 THR HA . 27034 1 451 . 1 1 51 51 THR HB H 1 4.046 0.002 . 1 . . . . . 512 THR HB . 27034 1 452 . 1 1 51 51 THR HG21 H 1 1.171 0.009 . 1 . . . . . 512 THR QG2 . 27034 1 453 . 1 1 51 51 THR HG22 H 1 1.171 0.009 . 1 . . . . . 512 THR QG2 . 27034 1 454 . 1 1 51 51 THR HG23 H 1 1.171 0.009 . 1 . . . . . 512 THR QG2 . 27034 1 455 . 1 1 51 51 THR C C 13 176.010 0.000 . 1 . . . . . 512 THR C . 27034 1 456 . 1 1 51 51 THR CA C 13 65.623 0.037 . 1 . . . . . 512 THR CA . 27034 1 457 . 1 1 51 51 THR CB C 13 68.560 0.060 . 1 . . . . . 512 THR CB . 27034 1 458 . 1 1 51 51 THR CG2 C 13 22.206 0.074 . 1 . . . . . 512 THR CG2 . 27034 1 459 . 1 1 52 52 LEU H H 1 7.277 0.001 . 1 . . . . . 513 LEU H . 27034 1 460 . 1 1 52 52 LEU HA H 1 3.874 0.011 . 1 . . . . . 513 LEU HA . 27034 1 461 . 1 1 52 52 LEU HB2 H 1 1.239 0.005 . 2 . . . . . 513 LEU HB2 . 27034 1 462 . 1 1 52 52 LEU HB3 H 1 1.239 0.005 . 2 . . . . . 513 LEU HB3 . 27034 1 463 . 1 1 52 52 LEU HG H 1 1.754 0.002 . 1 . . . . . 513 LEU HG . 27034 1 464 . 1 1 52 52 LEU HD11 H 1 0.782 0.000 . 2 . . . . . 513 LEU QD1 . 27034 1 465 . 1 1 52 52 LEU HD12 H 1 0.782 0.000 . 2 . . . . . 513 LEU QD1 . 27034 1 466 . 1 1 52 52 LEU HD13 H 1 0.782 0.000 . 2 . . . . . 513 LEU QD1 . 27034 1 467 . 1 1 52 52 LEU HD21 H 1 0.747 0.002 . 2 . . . . . 513 LEU QD2 . 27034 1 468 . 1 1 52 52 LEU HD22 H 1 0.747 0.002 . 2 . . . . . 513 LEU QD2 . 27034 1 469 . 1 1 52 52 LEU HD23 H 1 0.747 0.002 . 2 . . . . . 513 LEU QD2 . 27034 1 470 . 1 1 52 52 LEU CA C 13 58.047 0.024 . 1 . . . . . 513 LEU CA . 27034 1 471 . 1 1 52 52 LEU CB C 13 41.562 0.032 . 1 . . . . . 513 LEU CB . 27034 1 472 . 1 1 52 52 LEU CG C 13 26.696 0.003 . 1 . . . . . 513 LEU CG . 27034 1 473 . 1 1 52 52 LEU CD1 C 13 25.711 0.000 . 1 . . . . . 513 LEU CD1 . 27034 1 474 . 1 1 52 52 LEU CD2 C 13 23.924 0.000 . 1 . . . . . 513 LEU CD2 . 27034 1 475 . 1 1 52 52 LEU N N 15 123.686 0.000 . 1 . . . . . 513 LEU N . 27034 1 476 . 1 1 53 53 PHE HA H 1 4.227 0.007 . 1 . . . . . 514 PHE HA . 27034 1 477 . 1 1 53 53 PHE HB2 H 1 3.076 0.003 . 2 . . . . . 514 PHE HB2 . 27034 1 478 . 1 1 53 53 PHE HB3 H 1 2.861 0.005 . 2 . . . . . 514 PHE HB3 . 27034 1 479 . 1 1 53 53 PHE HD1 H 1 6.861 0.003 . 1 . . . . . 514 PHE HD1 . 27034 1 480 . 1 1 53 53 PHE HD2 H 1 6.861 0.003 . 1 . . . . . 514 PHE HD2 . 27034 1 481 . 1 1 53 53 PHE HE1 H 1 6.607 0.012 . 1 . . . . . 514 PHE HE1 . 27034 1 482 . 1 1 53 53 PHE HE2 H 1 6.607 0.012 . 1 . . . . . 514 PHE HE2 . 27034 1 483 . 1 1 53 53 PHE C C 13 177.862 0.000 . 1 . . . . . 514 PHE C . 27034 1 484 . 1 1 53 53 PHE CA C 13 57.900 0.069 . 1 . . . . . 514 PHE CA . 27034 1 485 . 1 1 53 53 PHE CB C 13 36.948 0.063 . 1 . . . . . 514 PHE CB . 27034 1 486 . 1 1 53 53 PHE CD1 C 13 130.233 0.020 . 1 . . . . . 514 PHE CD1 . 27034 1 487 . 1 1 54 54 ALA H H 1 7.655 0.007 . 1 . . . . . 515 ALA H . 27034 1 488 . 1 1 54 54 ALA HA H 1 4.074 0.005 . 1 . . . . . 515 ALA HA . 27034 1 489 . 1 1 54 54 ALA HB1 H 1 1.445 0.004 . 1 . . . . . 515 ALA HB . 27034 1 490 . 1 1 54 54 ALA HB2 H 1 1.445 0.004 . 1 . . . . . 515 ALA HB . 27034 1 491 . 1 1 54 54 ALA HB3 H 1 1.445 0.004 . 1 . . . . . 515 ALA HB . 27034 1 492 . 1 1 54 54 ALA C C 13 179.724 0.000 . 1 . . . . . 515 ALA C . 27034 1 493 . 1 1 54 54 ALA CA C 13 54.838 0.054 . 1 . . . . . 515 ALA CA . 27034 1 494 . 1 1 54 54 ALA CB C 13 17.913 0.016 . 1 . . . . . 515 ALA CB . 27034 1 495 . 1 1 54 54 ALA N N 15 120.141 0.100 . 1 . . . . . 515 ALA N . 27034 1 496 . 1 1 55 55 ALA H H 1 7.424 0.013 . 1 . . . . . 516 ALA H . 27034 1 497 . 1 1 55 55 ALA HA H 1 4.277 0.007 . 1 . . . . . 516 ALA HA . 27034 1 498 . 1 1 55 55 ALA HB1 H 1 1.465 0.012 . 1 . . . . . 516 ALA HB . 27034 1 499 . 1 1 55 55 ALA HB2 H 1 1.465 0.012 . 1 . . . . . 516 ALA HB . 27034 1 500 . 1 1 55 55 ALA HB3 H 1 1.465 0.012 . 1 . . . . . 516 ALA HB . 27034 1 501 . 1 1 55 55 ALA C C 13 179.917 0.000 . 1 . . . . . 516 ALA C . 27034 1 502 . 1 1 55 55 ALA CA C 13 54.376 0.121 . 1 . . . . . 516 ALA CA . 27034 1 503 . 1 1 55 55 ALA CB C 13 19.415 0.060 . 1 . . . . . 516 ALA CB . 27034 1 504 . 1 1 55 55 ALA N N 15 119.015 0.000 . 1 . . . . . 516 ALA N . 27034 1 505 . 1 1 56 56 ILE H H 1 7.931 0.014 . 1 . . . . . 517 ILE H . 27034 1 506 . 1 1 56 56 ILE HA H 1 4.175 0.013 . 1 . . . . . 517 ILE HA . 27034 1 507 . 1 1 56 56 ILE HB H 1 1.996 0.007 . 1 . . . . . 517 ILE HB . 27034 1 508 . 1 1 56 56 ILE HG12 H 1 1.441 0.000 . 2 . . . . . 517 ILE HG12 . 27034 1 509 . 1 1 56 56 ILE HG13 H 1 1.072 0.000 . 2 . . . . . 517 ILE HG13 . 27034 1 510 . 1 1 56 56 ILE HG21 H 1 0.852 0.008 . 1 . . . . . 517 ILE QG2 . 27034 1 511 . 1 1 56 56 ILE HG22 H 1 0.852 0.008 . 1 . . . . . 517 ILE QG2 . 27034 1 512 . 1 1 56 56 ILE HG23 H 1 0.852 0.008 . 1 . . . . . 517 ILE QG2 . 27034 1 513 . 1 1 56 56 ILE HD11 H 1 0.712 0.006 . 1 . . . . . 517 ILE QD1 . 27034 1 514 . 1 1 56 56 ILE HD12 H 1 0.712 0.006 . 1 . . . . . 517 ILE QD1 . 27034 1 515 . 1 1 56 56 ILE HD13 H 1 0.712 0.006 . 1 . . . . . 517 ILE QD1 . 27034 1 516 . 1 1 56 56 ILE C C 13 177.739 0.000 . 1 . . . . . 517 ILE C . 27034 1 517 . 1 1 56 56 ILE CA C 13 62.714 0.127 . 1 . . . . . 517 ILE CA . 27034 1 518 . 1 1 56 56 ILE CB C 13 38.847 0.055 . 1 . . . . . 517 ILE CB . 27034 1 519 . 1 1 56 56 ILE CG1 C 13 26.828 0.140 . 1 . . . . . 517 ILE CG1 . 27034 1 520 . 1 1 56 56 ILE CG2 C 13 17.760 0.092 . 1 . . . . . 517 ILE CG2 . 27034 1 521 . 1 1 56 56 ILE CD1 C 13 13.967 0.036 . 1 . . . . . 517 ILE CD1 . 27034 1 522 . 1 1 56 56 ILE N N 15 111.300 0.018 . 1 . . . . . 517 ILE N . 27034 1 523 . 1 1 57 57 SER H H 1 7.804 0.018 . 1 . . . . . 518 SER H . 27034 1 524 . 1 1 57 57 SER HA H 1 4.079 0.006 . 1 . . . . . 518 SER HA . 27034 1 525 . 1 1 57 57 SER HB2 H 1 3.897 0.000 . 2 . . . . . 518 SER HB2 . 27034 1 526 . 1 1 57 57 SER HB3 H 1 3.816 0.000 . 2 . . . . . 518 SER HB3 . 27034 1 527 . 1 1 57 57 SER CA C 13 61.994 0.062 . 1 . . . . . 518 SER CA . 27034 1 528 . 1 1 57 57 SER CB C 13 63.023 0.020 . 1 . . . . . 518 SER CB . 27034 1 529 . 1 1 57 57 SER N N 15 117.039 0.024 . 1 . . . . . 518 SER N . 27034 1 530 . 1 1 58 58 HIS HA H 1 4.625 0.009 . 1 . . . . . 519 HIS HA . 27034 1 531 . 1 1 58 58 HIS HB2 H 1 3.153 0.000 . 2 . . . . . 519 HIS HB2 . 27034 1 532 . 1 1 58 58 HIS HB3 H 1 3.062 0.000 . 2 . . . . . 519 HIS HB3 . 27034 1 533 . 1 1 58 58 HIS HD2 H 1 7.132 0.003 . 1 . . . . . 519 HIS HD2 . 27034 1 534 . 1 1 58 58 HIS HE1 H 1 8.000 0.001 . 1 . . . . . 519 HIS HE1 . 27034 1 535 . 1 1 58 58 HIS C C 13 175.740 0.000 . 1 . . . . . 519 HIS C . 27034 1 536 . 1 1 58 58 HIS CA C 13 57.002 0.110 . 1 . . . . . 519 HIS CA . 27034 1 537 . 1 1 58 58 HIS CB C 13 29.812 0.125 . 1 . . . . . 519 HIS CB . 27034 1 538 . 1 1 58 58 HIS CD2 C 13 119.985 0.008 . 1 . . . . . 519 HIS CD2 . 27034 1 539 . 1 1 58 58 HIS CE1 C 13 138.103 0.046 . 1 . . . . . 519 HIS CE1 . 27034 1 540 . 1 1 59 59 LYS H H 1 7.851 0.016 . 1 . . . . . 520 LYS H . 27034 1 541 . 1 1 59 59 LYS HA H 1 4.397 0.006 . 1 . . . . . 520 LYS HA . 27034 1 542 . 1 1 59 59 LYS HB2 H 1 1.933 0.001 . 2 . . . . . 520 LYS HB2 . 27034 1 543 . 1 1 59 59 LYS HB3 H 1 1.570 0.005 . 2 . . . . . 520 LYS HB3 . 27034 1 544 . 1 1 59 59 LYS HG2 H 1 1.200 0.001 . 2 . . . . . 520 LYS HG2 . 27034 1 545 . 1 1 59 59 LYS HG3 H 1 1.106 0.002 . 2 . . . . . 520 LYS HG3 . 27034 1 546 . 1 1 59 59 LYS HD2 H 1 1.510 0.000 . 2 . . . . . 520 LYS HD2 . 27034 1 547 . 1 1 59 59 LYS HD3 H 1 1.510 0.000 . 2 . . . . . 520 LYS HD3 . 27034 1 548 . 1 1 59 59 LYS HE2 H 1 2.898 0.000 . 2 . . . . . 520 LYS HE2 . 27034 1 549 . 1 1 59 59 LYS HE3 H 1 2.898 0.000 . 2 . . . . . 520 LYS HE3 . 27034 1 550 . 1 1 59 59 LYS C C 13 175.450 0.019 . 1 . . . . . 520 LYS C . 27034 1 551 . 1 1 59 59 LYS CA C 13 55.477 0.065 . 1 . . . . . 520 LYS CA . 27034 1 552 . 1 1 59 59 LYS CB C 13 34.736 0.044 . 1 . . . . . 520 LYS CB . 27034 1 553 . 1 1 59 59 LYS CG C 13 24.549 0.030 . 1 . . . . . 520 LYS CG . 27034 1 554 . 1 1 59 59 LYS CD C 13 28.895 0.084 . 1 . . . . . 520 LYS CD . 27034 1 555 . 1 1 59 59 LYS CE C 13 42.387 0.000 . 1 . . . . . 520 LYS CE . 27034 1 556 . 1 1 59 59 LYS N N 15 118.045 0.020 . 1 . . . . . 520 LYS N . 27034 1 557 . 1 1 60 60 VAL H H 1 7.145 0.009 . 1 . . . . . 521 VAL H . 27034 1 558 . 1 1 60 60 VAL HA H 1 4.301 0.009 . 1 . . . . . 521 VAL HA . 27034 1 559 . 1 1 60 60 VAL HB H 1 2.068 0.013 . 1 . . . . . 521 VAL HB . 27034 1 560 . 1 1 60 60 VAL HG11 H 1 0.866 0.003 . 2 . . . . . 521 VAL QG1 . 27034 1 561 . 1 1 60 60 VAL HG12 H 1 0.866 0.003 . 2 . . . . . 521 VAL QG1 . 27034 1 562 . 1 1 60 60 VAL HG13 H 1 0.866 0.003 . 2 . . . . . 521 VAL QG1 . 27034 1 563 . 1 1 60 60 VAL HG21 H 1 0.735 0.004 . 2 . . . . . 521 VAL QG2 . 27034 1 564 . 1 1 60 60 VAL HG22 H 1 0.735 0.004 . 2 . . . . . 521 VAL QG2 . 27034 1 565 . 1 1 60 60 VAL HG23 H 1 0.735 0.004 . 2 . . . . . 521 VAL QG2 . 27034 1 566 . 1 1 60 60 VAL C C 13 174.690 0.007 . 1 . . . . . 521 VAL C . 27034 1 567 . 1 1 60 60 VAL CA C 13 60.172 0.038 . 1 . . . . . 521 VAL CA . 27034 1 568 . 1 1 60 60 VAL CB C 13 34.056 0.043 . 1 . . . . . 521 VAL CB . 27034 1 569 . 1 1 60 60 VAL CG1 C 13 21.960 0.070 . 1 . . . . . 521 VAL CG1 . 27034 1 570 . 1 1 60 60 VAL CG2 C 13 20.690 0.111 . 1 . . . . . 521 VAL CG2 . 27034 1 571 . 1 1 60 60 VAL N N 15 116.394 0.001 . 1 . . . . . 521 VAL N . 27034 1 572 . 1 1 61 61 ALA H H 1 8.821 0.008 . 1 . . . . . 522 ALA H . 27034 1 573 . 1 1 61 61 ALA HA H 1 4.219 0.006 . 1 . . . . . 522 ALA HA . 27034 1 574 . 1 1 61 61 ALA HB1 H 1 1.451 0.005 . 1 . . . . . 522 ALA HB . 27034 1 575 . 1 1 61 61 ALA HB2 H 1 1.451 0.005 . 1 . . . . . 522 ALA HB . 27034 1 576 . 1 1 61 61 ALA HB3 H 1 1.451 0.005 . 1 . . . . . 522 ALA HB . 27034 1 577 . 1 1 61 61 ALA C C 13 178.885 0.007 . 1 . . . . . 522 ALA C . 27034 1 578 . 1 1 61 61 ALA CA C 13 52.094 0.029 . 1 . . . . . 522 ALA CA . 27034 1 579 . 1 1 61 61 ALA CB C 13 19.252 0.039 . 1 . . . . . 522 ALA CB . 27034 1 580 . 1 1 61 61 ALA N N 15 127.168 0.014 . 1 . . . . . 522 ALA N . 27034 1 581 . 1 1 62 62 GLU H H 1 8.896 0.005 . 1 . . . . . 523 GLU H . 27034 1 582 . 1 1 62 62 GLU HA H 1 3.846 0.007 . 1 . . . . . 523 GLU HA . 27034 1 583 . 1 1 62 62 GLU HB2 H 1 2.027 0.001 . 2 . . . . . 523 GLU HB2 . 27034 1 584 . 1 1 62 62 GLU HB3 H 1 1.910 0.001 . 2 . . . . . 523 GLU HB3 . 27034 1 585 . 1 1 62 62 GLU HG2 H 1 2.267 0.001 . 2 . . . . . 523 GLU HG2 . 27034 1 586 . 1 1 62 62 GLU HG3 H 1 2.162 0.001 . 2 . . . . . 523 GLU HG3 . 27034 1 587 . 1 1 62 62 GLU C C 13 178.999 0.000 . 1 . . . . . 523 GLU C . 27034 1 588 . 1 1 62 62 GLU CA C 13 60.320 0.036 . 1 . . . . . 523 GLU CA . 27034 1 589 . 1 1 62 62 GLU CB C 13 29.495 0.050 . 1 . . . . . 523 GLU CB . 27034 1 590 . 1 1 62 62 GLU CG C 13 36.240 0.063 . 1 . . . . . 523 GLU CG . 27034 1 591 . 1 1 62 62 GLU N N 15 123.054 0.002 . 1 . . . . . 523 GLU N . 27034 1 592 . 1 1 63 63 ASN H H 1 8.862 0.004 . 1 . . . . . 524 ASN H . 27034 1 593 . 1 1 63 63 ASN HA H 1 4.314 0.004 . 1 . . . . . 524 ASN HA . 27034 1 594 . 1 1 63 63 ASN HB2 H 1 2.667 0.004 . 2 . . . . . 524 ASN HB2 . 27034 1 595 . 1 1 63 63 ASN HB3 H 1 2.667 0.004 . 2 . . . . . 524 ASN HB3 . 27034 1 596 . 1 1 63 63 ASN HD21 H 1 7.619 0.005 . 2 . . . . . 524 ASN HD21 . 27034 1 597 . 1 1 63 63 ASN HD22 H 1 6.802 0.001 . 2 . . . . . 524 ASN HD22 . 27034 1 598 . 1 1 63 63 ASN C C 13 177.481 0.000 . 1 . . . . . 524 ASN C . 27034 1 599 . 1 1 63 63 ASN CA C 13 56.255 0.045 . 1 . . . . . 524 ASN CA . 27034 1 600 . 1 1 63 63 ASN CB C 13 37.727 0.098 . 1 . . . . . 524 ASN CB . 27034 1 601 . 1 1 63 63 ASN N N 15 114.980 0.007 . 1 . . . . . 524 ASN N . 27034 1 602 . 1 1 63 63 ASN ND2 N 15 112.986 0.021 . 1 . . . . . 524 ASN ND2 . 27034 1 603 . 1 1 64 64 ASP H H 1 6.965 0.007 . 1 . . . . . 525 ASP H . 27034 1 604 . 1 1 64 64 ASP HA H 1 4.504 0.005 . 1 . . . . . 525 ASP HA . 27034 1 605 . 1 1 64 64 ASP HB2 H 1 2.691 0.002 . 2 . . . . . 525 ASP HB2 . 27034 1 606 . 1 1 64 64 ASP HB3 H 1 2.219 0.010 . 2 . . . . . 525 ASP HB3 . 27034 1 607 . 1 1 64 64 ASP C C 13 178.078 0.009 . 1 . . . . . 525 ASP C . 27034 1 608 . 1 1 64 64 ASP CA C 13 57.051 0.080 . 1 . . . . . 525 ASP CA . 27034 1 609 . 1 1 64 64 ASP CB C 13 40.443 0.044 . 1 . . . . . 525 ASP CB . 27034 1 610 . 1 1 64 64 ASP N N 15 119.740 0.004 . 1 . . . . . 525 ASP N . 27034 1 611 . 1 1 65 65 MET H H 1 7.814 0.010 . 1 . . . . . 526 MET H . 27034 1 612 . 1 1 65 65 MET HA H 1 4.250 0.007 . 1 . . . . . 526 MET HA . 27034 1 613 . 1 1 65 65 MET HB2 H 1 1.936 0.000 . 2 . . . . . 526 MET HB2 . 27034 1 614 . 1 1 65 65 MET HB3 H 1 1.936 0.000 . 2 . . . . . 526 MET HB3 . 27034 1 615 . 1 1 65 65 MET HG2 H 1 2.421 0.004 . 2 . . . . . 526 MET HG2 . 27034 1 616 . 1 1 65 65 MET HG3 H 1 2.421 0.004 . 2 . . . . . 526 MET HG3 . 27034 1 617 . 1 1 65 65 MET HE1 H 1 1.667 0.005 . 1 . . . . . 526 MET HE . 27034 1 618 . 1 1 65 65 MET HE2 H 1 1.667 0.005 . 1 . . . . . 526 MET HE . 27034 1 619 . 1 1 65 65 MET HE3 H 1 1.667 0.005 . 1 . . . . . 526 MET HE . 27034 1 620 . 1 1 65 65 MET C C 13 178.987 0.011 . 1 . . . . . 526 MET C . 27034 1 621 . 1 1 65 65 MET CA C 13 56.318 0.061 . 1 . . . . . 526 MET CA . 27034 1 622 . 1 1 65 65 MET CB C 13 30.099 0.032 . 1 . . . . . 526 MET CB . 27034 1 623 . 1 1 65 65 MET CG C 13 31.655 0.020 . 1 . . . . . 526 MET CG . 27034 1 624 . 1 1 65 65 MET CE C 13 15.728 0.004 . 1 . . . . . 526 MET CE . 27034 1 625 . 1 1 65 65 MET N N 15 119.367 0.013 . 1 . . . . . 526 MET N . 27034 1 626 . 1 1 66 66 LEU H H 1 7.739 0.014 . 1 . . . . . 527 LEU H . 27034 1 627 . 1 1 66 66 LEU HA H 1 3.997 0.006 . 1 . . . . . 527 LEU HA . 27034 1 628 . 1 1 66 66 LEU HB2 H 1 1.831 0.009 . 2 . . . . . 527 LEU HB2 . 27034 1 629 . 1 1 66 66 LEU HB3 H 1 1.508 0.001 . 2 . . . . . 527 LEU HB3 . 27034 1 630 . 1 1 66 66 LEU HG H 1 1.742 0.004 . 1 . . . . . 527 LEU HG . 27034 1 631 . 1 1 66 66 LEU HD11 H 1 0.869 0.002 . 2 . . . . . 527 LEU QD1 . 27034 1 632 . 1 1 66 66 LEU HD12 H 1 0.869 0.002 . 2 . . . . . 527 LEU QD1 . 27034 1 633 . 1 1 66 66 LEU HD13 H 1 0.869 0.002 . 2 . . . . . 527 LEU QD1 . 27034 1 634 . 1 1 66 66 LEU HD21 H 1 0.806 0.003 . 2 . . . . . 527 LEU QD2 . 27034 1 635 . 1 1 66 66 LEU HD22 H 1 0.806 0.003 . 2 . . . . . 527 LEU QD2 . 27034 1 636 . 1 1 66 66 LEU HD23 H 1 0.806 0.003 . 2 . . . . . 527 LEU QD2 . 27034 1 637 . 1 1 66 66 LEU C C 13 180.509 0.001 . 1 . . . . . 527 LEU C . 27034 1 638 . 1 1 66 66 LEU CA C 13 58.274 0.109 . 1 . . . . . 527 LEU CA . 27034 1 639 . 1 1 66 66 LEU CB C 13 41.491 0.017 . 1 . . . . . 527 LEU CB . 27034 1 640 . 1 1 66 66 LEU CG C 13 26.705 0.006 . 1 . . . . . 527 LEU CG . 27034 1 641 . 1 1 66 66 LEU CD1 C 13 25.290 0.084 . 1 . . . . . 527 LEU CD1 . 27034 1 642 . 1 1 66 66 LEU CD2 C 13 23.061 0.039 . 1 . . . . . 527 LEU CD2 . 27034 1 643 . 1 1 66 66 LEU N N 15 119.139 0.017 . 1 . . . . . 527 LEU N . 27034 1 644 . 1 1 67 67 LEU H H 1 7.265 0.011 . 1 . . . . . 528 LEU H . 27034 1 645 . 1 1 67 67 LEU HA H 1 4.003 0.008 . 1 . . . . . 528 LEU HA . 27034 1 646 . 1 1 67 67 LEU HB2 H 1 1.991 0.003 . 2 . . . . . 528 LEU HB2 . 27034 1 647 . 1 1 67 67 LEU HB3 H 1 1.498 0.007 . 2 . . . . . 528 LEU HB3 . 27034 1 648 . 1 1 67 67 LEU HG H 1 1.822 0.002 . 1 . . . . . 528 LEU HG . 27034 1 649 . 1 1 67 67 LEU HD11 H 1 0.873 0.003 . 2 . . . . . 528 LEU QD1 . 27034 1 650 . 1 1 67 67 LEU HD12 H 1 0.873 0.003 . 2 . . . . . 528 LEU QD1 . 27034 1 651 . 1 1 67 67 LEU HD13 H 1 0.873 0.003 . 2 . . . . . 528 LEU QD1 . 27034 1 652 . 1 1 67 67 LEU HD21 H 1 0.777 0.010 . 2 . . . . . 528 LEU QD2 . 27034 1 653 . 1 1 67 67 LEU HD22 H 1 0.777 0.010 . 2 . . . . . 528 LEU QD2 . 27034 1 654 . 1 1 67 67 LEU HD23 H 1 0.777 0.010 . 2 . . . . . 528 LEU QD2 . 27034 1 655 . 1 1 67 67 LEU C C 13 179.330 0.000 . 1 . . . . . 528 LEU C . 27034 1 656 . 1 1 67 67 LEU CA C 13 58.109 0.101 . 1 . . . . . 528 LEU CA . 27034 1 657 . 1 1 67 67 LEU CB C 13 41.506 0.057 . 1 . . . . . 528 LEU CB . 27034 1 658 . 1 1 67 67 LEU CG C 13 26.329 0.013 . 1 . . . . . 528 LEU CG . 27034 1 659 . 1 1 67 67 LEU CD1 C 13 25.242 0.045 . 1 . . . . . 528 LEU CD1 . 27034 1 660 . 1 1 67 67 LEU CD2 C 13 22.825 0.078 . 1 . . . . . 528 LEU CD2 . 27034 1 661 . 1 1 67 67 LEU N N 15 120.864 0.010 . 1 . . . . . 528 LEU N . 27034 1 662 . 1 1 68 68 ILE H H 1 7.972 0.007 . 1 . . . . . 529 ILE H . 27034 1 663 . 1 1 68 68 ILE HA H 1 3.682 0.007 . 1 . . . . . 529 ILE HA . 27034 1 664 . 1 1 68 68 ILE HB H 1 1.671 0.006 . 1 . . . . . 529 ILE HB . 27034 1 665 . 1 1 68 68 ILE HG12 H 1 1.750 0.001 . 2 . . . . . 529 ILE HG12 . 27034 1 666 . 1 1 68 68 ILE HG13 H 1 0.796 0.000 . 2 . . . . . 529 ILE HG13 . 27034 1 667 . 1 1 68 68 ILE HG21 H 1 0.364 0.008 . 1 . . . . . 529 ILE QG2 . 27034 1 668 . 1 1 68 68 ILE HG22 H 1 0.364 0.008 . 1 . . . . . 529 ILE QG2 . 27034 1 669 . 1 1 68 68 ILE HG23 H 1 0.364 0.008 . 1 . . . . . 529 ILE QG2 . 27034 1 670 . 1 1 68 68 ILE HD11 H 1 0.576 0.008 . 1 . . . . . 529 ILE QD1 . 27034 1 671 . 1 1 68 68 ILE HD12 H 1 0.576 0.008 . 1 . . . . . 529 ILE QD1 . 27034 1 672 . 1 1 68 68 ILE HD13 H 1 0.576 0.008 . 1 . . . . . 529 ILE QD1 . 27034 1 673 . 1 1 68 68 ILE C C 13 178.249 0.008 . 1 . . . . . 529 ILE C . 27034 1 674 . 1 1 68 68 ILE CA C 13 65.169 0.071 . 1 . . . . . 529 ILE CA . 27034 1 675 . 1 1 68 68 ILE CB C 13 38.200 0.057 . 1 . . . . . 529 ILE CB . 27034 1 676 . 1 1 68 68 ILE CG1 C 13 28.913 0.030 . 1 . . . . . 529 ILE CG1 . 27034 1 677 . 1 1 68 68 ILE CG2 C 13 16.977 0.040 . 1 . . . . . 529 ILE CG2 . 27034 1 678 . 1 1 68 68 ILE CD1 C 13 13.853 0.053 . 1 . . . . . 529 ILE CD1 . 27034 1 679 . 1 1 68 68 ILE N N 15 120.576 0.011 . 1 . . . . . 529 ILE N . 27034 1 680 . 1 1 69 69 ASN H H 1 8.403 0.007 . 1 . . . . . 530 ASN H . 27034 1 681 . 1 1 69 69 ASN HA H 1 4.305 0.006 . 1 . . . . . 530 ASN HA . 27034 1 682 . 1 1 69 69 ASN HB2 H 1 2.737 0.000 . 2 . . . . . 530 ASN HB2 . 27034 1 683 . 1 1 69 69 ASN HB3 H 1 2.657 0.005 . 2 . . . . . 530 ASN HB3 . 27034 1 684 . 1 1 69 69 ASN HD21 H 1 7.217 0.016 . 2 . . . . . 530 ASN HD21 . 27034 1 685 . 1 1 69 69 ASN HD22 H 1 6.592 0.002 . 2 . . . . . 530 ASN HD22 . 27034 1 686 . 1 1 69 69 ASN C C 13 178.055 0.000 . 1 . . . . . 530 ASN C . 27034 1 687 . 1 1 69 69 ASN CA C 13 56.339 0.109 . 1 . . . . . 530 ASN CA . 27034 1 688 . 1 1 69 69 ASN CB C 13 38.493 0.045 . 1 . . . . . 530 ASN CB . 27034 1 689 . 1 1 69 69 ASN N N 15 117.433 0.012 . 1 . . . . . 530 ASN N . 27034 1 690 . 1 1 69 69 ASN ND2 N 15 110.620 0.001 . 1 . . . . . 530 ASN ND2 . 27034 1 691 . 1 1 70 70 ALA H H 1 7.856 0.011 . 1 . . . . . 531 ALA H . 27034 1 692 . 1 1 70 70 ALA HA H 1 4.165 0.015 . 1 . . . . . 531 ALA HA . 27034 1 693 . 1 1 70 70 ALA HB1 H 1 1.488 0.002 . 1 . . . . . 531 ALA HB . 27034 1 694 . 1 1 70 70 ALA HB2 H 1 1.488 0.002 . 1 . . . . . 531 ALA HB . 27034 1 695 . 1 1 70 70 ALA HB3 H 1 1.488 0.002 . 1 . . . . . 531 ALA HB . 27034 1 696 . 1 1 70 70 ALA C C 13 180.953 0.000 . 1 . . . . . 531 ALA C . 27034 1 697 . 1 1 70 70 ALA CA C 13 55.345 0.069 . 1 . . . . . 531 ALA CA . 27034 1 698 . 1 1 70 70 ALA CB C 13 17.860 0.066 . 1 . . . . . 531 ALA CB . 27034 1 699 . 1 1 70 70 ALA N N 15 123.558 0.018 . 1 . . . . . 531 ALA N . 27034 1 700 . 1 1 71 71 ASP H H 1 8.115 0.008 . 1 . . . . . 532 ASP H . 27034 1 701 . 1 1 71 71 ASP HA H 1 4.407 0.003 . 1 . . . . . 532 ASP HA . 27034 1 702 . 1 1 71 71 ASP HB2 H 1 3.065 0.007 . 2 . . . . . 532 ASP HB2 . 27034 1 703 . 1 1 71 71 ASP HB3 H 1 2.632 0.008 . 2 . . . . . 532 ASP HB3 . 27034 1 704 . 1 1 71 71 ASP C C 13 177.897 0.000 . 1 . . . . . 532 ASP C . 27034 1 705 . 1 1 71 71 ASP CA C 13 57.540 0.111 . 1 . . . . . 532 ASP CA . 27034 1 706 . 1 1 71 71 ASP CB C 13 39.352 0.058 . 1 . . . . . 532 ASP CB . 27034 1 707 . 1 1 71 71 ASP N N 15 121.276 0.020 . 1 . . . . . 532 ASP N . 27034 1 708 . 1 1 72 72 TYR H H 1 9.131 0.005 . 1 . . . . . 533 TYR H . 27034 1 709 . 1 1 72 72 TYR HA H 1 3.577 0.006 . 1 . . . . . 533 TYR HA . 27034 1 710 . 1 1 72 72 TYR HB2 H 1 2.990 0.008 . 2 . . . . . 533 TYR HB2 . 27034 1 711 . 1 1 72 72 TYR HB3 H 1 2.990 0.008 . 2 . . . . . 533 TYR HB3 . 27034 1 712 . 1 1 72 72 TYR HD1 H 1 6.521 0.007 . 1 . . . . . 533 TYR HD1 . 27034 1 713 . 1 1 72 72 TYR HD2 H 1 6.521 0.007 . 1 . . . . . 533 TYR HD2 . 27034 1 714 . 1 1 72 72 TYR HE1 H 1 6.520 0.010 . 1 . . . . . 533 TYR HE1 . 27034 1 715 . 1 1 72 72 TYR HE2 H 1 6.520 0.010 . 1 . . . . . 533 TYR HE2 . 27034 1 716 . 1 1 72 72 TYR C C 13 177.372 0.000 . 1 . . . . . 533 TYR C . 27034 1 717 . 1 1 72 72 TYR CA C 13 60.594 0.084 . 1 . . . . . 533 TYR CA . 27034 1 718 . 1 1 72 72 TYR CB C 13 37.761 0.077 . 1 . . . . . 533 TYR CB . 27034 1 719 . 1 1 72 72 TYR CD1 C 13 132.730 0.050 . 1 . . . . . 533 TYR CD1 . 27034 1 720 . 1 1 72 72 TYR CE1 C 13 117.502 0.027 . 1 . . . . . 533 TYR CE1 . 27034 1 721 . 1 1 72 72 TYR N N 15 122.038 0.002 . 1 . . . . . 533 TYR N . 27034 1 722 . 1 1 73 73 GLN H H 1 7.954 0.006 . 1 . . . . . 534 GLN H . 27034 1 723 . 1 1 73 73 GLN HA H 1 3.584 0.006 . 1 . . . . . 534 GLN HA . 27034 1 724 . 1 1 73 73 GLN HB2 H 1 2.112 0.005 . 2 . . . . . 534 GLN HB2 . 27034 1 725 . 1 1 73 73 GLN HB3 H 1 2.112 0.005 . 2 . . . . . 534 GLN HB3 . 27034 1 726 . 1 1 73 73 GLN HG2 H 1 2.359 0.015 . 2 . . . . . 534 GLN HG2 . 27034 1 727 . 1 1 73 73 GLN HG3 H 1 2.332 0.002 . 2 . . . . . 534 GLN HG3 . 27034 1 728 . 1 1 73 73 GLN HE21 H 1 7.566 0.002 . 2 . . . . . 534 GLN HE21 . 27034 1 729 . 1 1 73 73 GLN HE22 H 1 6.776 0.009 . 2 . . . . . 534 GLN HE22 . 27034 1 730 . 1 1 73 73 GLN C C 13 178.030 0.003 . 1 . . . . . 534 GLN C . 27034 1 731 . 1 1 73 73 GLN CA C 13 58.520 0.026 . 1 . . . . . 534 GLN CA . 27034 1 732 . 1 1 73 73 GLN CB C 13 27.659 0.036 . 1 . . . . . 534 GLN CB . 27034 1 733 . 1 1 73 73 GLN CG C 13 33.378 0.067 . 1 . . . . . 534 GLN CG . 27034 1 734 . 1 1 73 73 GLN N N 15 118.167 0.016 . 1 . . . . . 534 GLN N . 27034 1 735 . 1 1 73 73 GLN NE2 N 15 114.710 0.025 . 1 . . . . . 534 GLN NE2 . 27034 1 736 . 1 1 74 74 GLN H H 1 7.312 0.010 . 1 . . . . . 535 GLN H . 27034 1 737 . 1 1 74 74 GLN HA H 1 3.973 0.003 . 1 . . . . . 535 GLN HA . 27034 1 738 . 1 1 74 74 GLN HB2 H 1 2.444 0.004 . 2 . . . . . 535 GLN HB2 . 27034 1 739 . 1 1 74 74 GLN HB3 H 1 1.884 0.006 . 2 . . . . . 535 GLN HB3 . 27034 1 740 . 1 1 74 74 GLN HG2 H 1 2.565 0.008 . 2 . . . . . 535 GLN HG2 . 27034 1 741 . 1 1 74 74 GLN HG3 H 1 2.316 0.011 . 2 . . . . . 535 GLN HG3 . 27034 1 742 . 1 1 74 74 GLN HE21 H 1 7.317 0.002 . 2 . . . . . 535 GLN HE21 . 27034 1 743 . 1 1 74 74 GLN HE22 H 1 6.693 0.007 . 2 . . . . . 535 GLN HE22 . 27034 1 744 . 1 1 74 74 GLN C C 13 178.591 0.012 . 1 . . . . . 535 GLN C . 27034 1 745 . 1 1 74 74 GLN CA C 13 59.501 0.070 . 1 . . . . . 535 GLN CA . 27034 1 746 . 1 1 74 74 GLN CB C 13 28.828 0.060 . 1 . . . . . 535 GLN CB . 27034 1 747 . 1 1 74 74 GLN CG C 13 34.320 0.074 . 1 . . . . . 535 GLN CG . 27034 1 748 . 1 1 74 74 GLN N N 15 116.777 0.015 . 1 . . . . . 535 GLN N . 27034 1 749 . 1 1 74 74 GLN NE2 N 15 111.891 0.048 . 1 . . . . . 535 GLN NE2 . 27034 1 750 . 1 1 75 75 LEU H H 1 8.009 0.000 . 1 . . . . . 536 LEU H . 27034 1 751 . 1 1 75 75 LEU HA H 1 4.137 0.002 . 1 . . . . . 536 LEU HA . 27034 1 752 . 1 1 75 75 LEU HB2 H 1 1.740 0.005 . 2 . . . . . 536 LEU HB2 . 27034 1 753 . 1 1 75 75 LEU HB3 H 1 0.921 0.003 . 2 . . . . . 536 LEU HB3 . 27034 1 754 . 1 1 75 75 LEU HG H 1 1.735 0.000 . 1 . . . . . 536 LEU HG . 27034 1 755 . 1 1 75 75 LEU HD11 H 1 0.376 0.005 . 2 . . . . . 536 LEU QD1 . 27034 1 756 . 1 1 75 75 LEU HD12 H 1 0.376 0.005 . 2 . . . . . 536 LEU QD1 . 27034 1 757 . 1 1 75 75 LEU HD13 H 1 0.376 0.005 . 2 . . . . . 536 LEU QD1 . 27034 1 758 . 1 1 75 75 LEU HD21 H 1 0.698 0.003 . 2 . . . . . 536 LEU QD2 . 27034 1 759 . 1 1 75 75 LEU HD22 H 1 0.698 0.003 . 2 . . . . . 536 LEU QD2 . 27034 1 760 . 1 1 75 75 LEU HD23 H 1 0.698 0.003 . 2 . . . . . 536 LEU QD2 . 27034 1 761 . 1 1 75 75 LEU CA C 13 58.341 0.079 . 1 . . . . . 536 LEU CA . 27034 1 762 . 1 1 75 75 LEU CB C 13 41.008 0.088 . 1 . . . . . 536 LEU CB . 27034 1 763 . 1 1 75 75 LEU CD1 C 13 25.941 0.024 . 1 . . . . . 536 LEU CD1 . 27034 1 764 . 1 1 75 75 LEU CD2 C 13 23.914 0.022 . 1 . . . . . 536 LEU CD2 . 27034 1 765 . 1 1 75 75 LEU N N 15 122.643 0.032 . 1 . . . . . 536 LEU N . 27034 1 766 . 1 1 76 76 ARG H H 1 8.274 0.009 . 1 . . . . . 537 ARG H . 27034 1 767 . 1 1 76 76 ARG HA H 1 3.621 0.011 . 1 . . . . . 537 ARG HA . 27034 1 768 . 1 1 76 76 ARG HB2 H 1 1.646 0.003 . 2 . . . . . 537 ARG HB2 . 27034 1 769 . 1 1 76 76 ARG HB3 H 1 1.508 0.004 . 2 . . . . . 537 ARG HB3 . 27034 1 770 . 1 1 76 76 ARG HG2 H 1 1.106 0.003 . 2 . . . . . 537 ARG HG2 . 27034 1 771 . 1 1 76 76 ARG HG3 H 1 1.027 0.003 . 2 . . . . . 537 ARG HG3 . 27034 1 772 . 1 1 76 76 ARG HD2 H 1 2.902 0.000 . 2 . . . . . 537 ARG HD2 . 27034 1 773 . 1 1 76 76 ARG HD3 H 1 2.754 0.005 . 2 . . . . . 537 ARG HD3 . 27034 1 774 . 1 1 76 76 ARG C C 13 177.740 0.000 . 1 . . . . . 537 ARG C . 27034 1 775 . 1 1 76 76 ARG CA C 13 59.272 0.041 . 1 . . . . . 537 ARG CA . 27034 1 776 . 1 1 76 76 ARG CB C 13 29.247 0.044 . 1 . . . . . 537 ARG CB . 27034 1 777 . 1 1 76 76 ARG CG C 13 26.743 0.063 . 1 . . . . . 537 ARG CG . 27034 1 778 . 1 1 76 76 ARG CD C 13 43.166 0.081 . 1 . . . . . 537 ARG CD . 27034 1 779 . 1 1 76 76 ARG N N 15 121.913 0.002 . 1 . . . . . 537 ARG N . 27034 1 780 . 1 1 77 77 ASP H H 1 7.670 0.003 . 1 . . . . . 538 ASP H . 27034 1 781 . 1 1 77 77 ASP HA H 1 4.603 0.005 . 1 . . . . . 538 ASP HA . 27034 1 782 . 1 1 77 77 ASP HB2 H 1 2.768 0.002 . 2 . . . . . 538 ASP HB2 . 27034 1 783 . 1 1 77 77 ASP HB3 H 1 2.501 0.007 . 2 . . . . . 538 ASP HB3 . 27034 1 784 . 1 1 77 77 ASP C C 13 174.810 0.002 . 1 . . . . . 538 ASP C . 27034 1 785 . 1 1 77 77 ASP CA C 13 54.379 0.054 . 1 . . . . . 538 ASP CA . 27034 1 786 . 1 1 77 77 ASP CB C 13 40.728 0.053 . 1 . . . . . 538 ASP CB . 27034 1 787 . 1 1 77 77 ASP N N 15 117.442 0.009 . 1 . . . . . 538 ASP N . 27034 1 788 . 1 1 78 78 LYS H H 1 8.020 0.003 . 1 . . . . . 539 LYS H . 27034 1 789 . 1 1 78 78 LYS HA H 1 4.032 0.004 . 1 . . . . . 539 LYS HA . 27034 1 790 . 1 1 78 78 LYS HB2 H 1 2.009 0.000 . 2 . . . . . 539 LYS HB2 . 27034 1 791 . 1 1 78 78 LYS HB3 H 1 2.009 0.000 . 2 . . . . . 539 LYS HB3 . 27034 1 792 . 1 1 78 78 LYS HG2 H 1 1.317 0.002 . 2 . . . . . 539 LYS HG2 . 27034 1 793 . 1 1 78 78 LYS HG3 H 1 1.317 0.002 . 2 . . . . . 539 LYS HG3 . 27034 1 794 . 1 1 78 78 LYS HD2 H 1 1.618 0.000 . 2 . . . . . 539 LYS HD2 . 27034 1 795 . 1 1 78 78 LYS HD3 H 1 1.618 0.000 . 2 . . . . . 539 LYS HD3 . 27034 1 796 . 1 1 78 78 LYS HE2 H 1 2.928 0.000 . 2 . . . . . 539 LYS HE2 . 27034 1 797 . 1 1 78 78 LYS HE3 H 1 2.928 0.000 . 2 . . . . . 539 LYS HE3 . 27034 1 798 . 1 1 78 78 LYS C C 13 176.383 0.001 . 1 . . . . . 539 LYS C . 27034 1 799 . 1 1 78 78 LYS CA C 13 57.525 0.073 . 1 . . . . . 539 LYS CA . 27034 1 800 . 1 1 78 78 LYS CB C 13 28.286 0.067 . 1 . . . . . 539 LYS CB . 27034 1 801 . 1 1 78 78 LYS CG C 13 25.137 0.086 . 1 . . . . . 539 LYS CG . 27034 1 802 . 1 1 78 78 LYS N N 15 114.070 0.004 . 1 . . . . . 539 LYS N . 27034 1 803 . 1 1 79 79 LYS H H 1 8.462 0.002 . 1 . . . . . 540 LYS H . 27034 1 804 . 1 1 79 79 LYS HA H 1 4.289 0.004 . 1 . . . . . 540 LYS HA . 27034 1 805 . 1 1 79 79 LYS HB2 H 1 1.985 0.006 . 2 . . . . . 540 LYS HB2 . 27034 1 806 . 1 1 79 79 LYS HB3 H 1 1.520 0.003 . 2 . . . . . 540 LYS HB3 . 27034 1 807 . 1 1 79 79 LYS HG2 H 1 1.314 0.000 . 2 . . . . . 540 LYS HG2 . 27034 1 808 . 1 1 79 79 LYS HG3 H 1 1.314 0.000 . 2 . . . . . 540 LYS HG3 . 27034 1 809 . 1 1 79 79 LYS HD2 H 1 1.514 0.001 . 2 . . . . . 540 LYS HD2 . 27034 1 810 . 1 1 79 79 LYS HD3 H 1 1.514 0.001 . 2 . . . . . 540 LYS HD3 . 27034 1 811 . 1 1 79 79 LYS HE2 H 1 2.927 0.000 . 2 . . . . . 540 LYS HE2 . 27034 1 812 . 1 1 79 79 LYS HE3 H 1 2.927 0.000 . 2 . . . . . 540 LYS HE3 . 27034 1 813 . 1 1 79 79 LYS C C 13 175.582 0.004 . 1 . . . . . 540 LYS C . 27034 1 814 . 1 1 79 79 LYS CA C 13 55.784 0.049 . 1 . . . . . 540 LYS CA . 27034 1 815 . 1 1 79 79 LYS CB C 13 33.362 0.079 . 1 . . . . . 540 LYS CB . 27034 1 816 . 1 1 79 79 LYS CG C 13 25.308 0.102 . 1 . . . . . 540 LYS CG . 27034 1 817 . 1 1 79 79 LYS CD C 13 28.852 0.071 . 1 . . . . . 540 LYS CD . 27034 1 818 . 1 1 79 79 LYS CE C 13 42.099 0.000 . 1 . . . . . 540 LYS CE . 27034 1 819 . 1 1 79 79 LYS N N 15 116.564 0.000 . 1 . . . . . 540 LYS N . 27034 1 820 . 1 1 80 80 MET H H 1 7.232 0.006 . 1 . . . . . 541 MET H . 27034 1 821 . 1 1 80 80 MET HA H 1 4.580 0.007 . 1 . . . . . 541 MET HA . 27034 1 822 . 1 1 80 80 MET HB2 H 1 1.993 0.009 . 2 . . . . . 541 MET HB2 . 27034 1 823 . 1 1 80 80 MET HB3 H 1 1.638 0.010 . 2 . . . . . 541 MET HB3 . 27034 1 824 . 1 1 80 80 MET HG2 H 1 2.470 0.006 . 2 . . . . . 541 MET HG2 . 27034 1 825 . 1 1 80 80 MET HG3 H 1 2.470 0.006 . 2 . . . . . 541 MET HG3 . 27034 1 826 . 1 1 80 80 MET HE1 H 1 2.015 0.005 . 1 . . . . . 541 MET HE . 27034 1 827 . 1 1 80 80 MET HE2 H 1 2.015 0.005 . 1 . . . . . 541 MET HE . 27034 1 828 . 1 1 80 80 MET HE3 H 1 2.015 0.005 . 1 . . . . . 541 MET HE . 27034 1 829 . 1 1 80 80 MET C C 13 174.440 0.004 . 1 . . . . . 541 MET C . 27034 1 830 . 1 1 80 80 MET CA C 13 54.199 0.040 . 1 . . . . . 541 MET CA . 27034 1 831 . 1 1 80 80 MET CB C 13 37.308 0.083 . 1 . . . . . 541 MET CB . 27034 1 832 . 1 1 80 80 MET CG C 13 30.496 0.075 . 1 . . . . . 541 MET CG . 27034 1 833 . 1 1 80 80 MET CE C 13 16.527 0.014 . 1 . . . . . 541 MET CE . 27034 1 834 . 1 1 80 80 MET N N 15 117.416 0.000 . 1 . . . . . 541 MET N . 27034 1 835 . 1 1 81 81 THR H H 1 8.588 0.003 . 1 . . . . . 542 THR H . 27034 1 836 . 1 1 81 81 THR HA H 1 4.388 0.011 . 1 . . . . . 542 THR HA . 27034 1 837 . 1 1 81 81 THR HB H 1 4.681 0.016 . 1 . . . . . 542 THR HB . 27034 1 838 . 1 1 81 81 THR HG21 H 1 1.246 0.002 . 1 . . . . . 542 THR QG2 . 27034 1 839 . 1 1 81 81 THR HG22 H 1 1.246 0.002 . 1 . . . . . 542 THR QG2 . 27034 1 840 . 1 1 81 81 THR HG23 H 1 1.246 0.002 . 1 . . . . . 542 THR QG2 . 27034 1 841 . 1 1 81 81 THR C C 13 175.485 0.013 . 1 . . . . . 542 THR C . 27034 1 842 . 1 1 81 81 THR CA C 13 60.839 0.076 . 1 . . . . . 542 THR CA . 27034 1 843 . 1 1 81 81 THR CB C 13 71.103 0.092 . 1 . . . . . 542 THR CB . 27034 1 844 . 1 1 81 81 THR CG2 C 13 21.879 0.078 . 1 . . . . . 542 THR CG2 . 27034 1 845 . 1 1 81 81 THR N N 15 113.701 0.034 . 1 . . . . . 542 THR N . 27034 1 846 . 1 1 82 82 ARG H H 1 9.040 0.008 . 1 . . . . . 543 ARG H . 27034 1 847 . 1 1 82 82 ARG HA H 1 3.928 0.006 . 1 . . . . . 543 ARG HA . 27034 1 848 . 1 1 82 82 ARG HB2 H 1 1.902 0.006 . 2 . . . . . 543 ARG HB2 . 27034 1 849 . 1 1 82 82 ARG HB3 H 1 1.902 0.006 . 2 . . . . . 543 ARG HB3 . 27034 1 850 . 1 1 82 82 ARG HG2 H 1 1.721 0.000 . 2 . . . . . 543 ARG HG2 . 27034 1 851 . 1 1 82 82 ARG HG3 H 1 1.721 0.000 . 2 . . . . . 543 ARG HG3 . 27034 1 852 . 1 1 82 82 ARG HD2 H 1 3.110 0.000 . 2 . . . . . 543 ARG HD2 . 27034 1 853 . 1 1 82 82 ARG HD3 H 1 3.110 0.000 . 2 . . . . . 543 ARG HD3 . 27034 1 854 . 1 1 82 82 ARG C C 13 177.844 0.000 . 1 . . . . . 543 ARG C . 27034 1 855 . 1 1 82 82 ARG CA C 13 60.432 0.102 . 1 . . . . . 543 ARG CA . 27034 1 856 . 1 1 82 82 ARG CB C 13 29.633 0.106 . 1 . . . . . 543 ARG CB . 27034 1 857 . 1 1 82 82 ARG CG C 13 28.195 0.005 . 1 . . . . . 543 ARG CG . 27034 1 858 . 1 1 82 82 ARG CD C 13 43.271 0.000 . 1 . . . . . 543 ARG CD . 27034 1 859 . 1 1 82 82 ARG N N 15 122.276 0.010 . 1 . . . . . 543 ARG N . 27034 1 860 . 1 1 83 83 ALA H H 1 8.441 0.007 . 1 . . . . . 544 ALA H . 27034 1 861 . 1 1 83 83 ALA HA H 1 4.026 0.005 . 1 . . . . . 544 ALA HA . 27034 1 862 . 1 1 83 83 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 544 ALA HB . 27034 1 863 . 1 1 83 83 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 544 ALA HB . 27034 1 864 . 1 1 83 83 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 544 ALA HB . 27034 1 865 . 1 1 83 83 ALA C C 13 180.817 0.011 . 1 . . . . . 544 ALA C . 27034 1 866 . 1 1 83 83 ALA CA C 13 55.198 0.113 . 1 . . . . . 544 ALA CA . 27034 1 867 . 1 1 83 83 ALA CB C 13 18.257 0.037 . 1 . . . . . 544 ALA CB . 27034 1 868 . 1 1 83 83 ALA N N 15 119.208 0.009 . 1 . . . . . 544 ALA N . 27034 1 869 . 1 1 84 84 GLU H H 1 7.756 0.005 . 1 . . . . . 545 GLU H . 27034 1 870 . 1 1 84 84 GLU HA H 1 4.064 0.004 . 1 . . . . . 545 GLU HA . 27034 1 871 . 1 1 84 84 GLU HB2 H 1 2.095 0.002 . 2 . . . . . 545 GLU HB2 . 27034 1 872 . 1 1 84 84 GLU HB3 H 1 1.858 0.004 . 2 . . . . . 545 GLU HB3 . 27034 1 873 . 1 1 84 84 GLU HG2 H 1 2.285 0.004 . 2 . . . . . 545 GLU HG2 . 27034 1 874 . 1 1 84 84 GLU HG3 H 1 2.285 0.004 . 2 . . . . . 545 GLU HG3 . 27034 1 875 . 1 1 84 84 GLU C C 13 177.912 0.003 . 1 . . . . . 545 GLU C . 27034 1 876 . 1 1 84 84 GLU CA C 13 58.571 0.050 . 1 . . . . . 545 GLU CA . 27034 1 877 . 1 1 84 84 GLU CB C 13 29.573 0.042 . 1 . . . . . 545 GLU CB . 27034 1 878 . 1 1 84 84 GLU CG C 13 36.060 0.051 . 1 . . . . . 545 GLU CG . 27034 1 879 . 1 1 84 84 GLU N N 15 119.676 0.011 . 1 . . . . . 545 GLU N . 27034 1 880 . 1 1 85 85 PHE H H 1 8.347 0.008 . 1 . . . . . 546 PHE H . 27034 1 881 . 1 1 85 85 PHE HA H 1 4.079 0.009 . 1 . . . . . 546 PHE HA . 27034 1 882 . 1 1 85 85 PHE HB2 H 1 3.093 0.006 . 2 . . . . . 546 PHE HB2 . 27034 1 883 . 1 1 85 85 PHE HB3 H 1 3.093 0.006 . 2 . . . . . 546 PHE HB3 . 27034 1 884 . 1 1 85 85 PHE HD1 H 1 6.940 0.006 . 1 . . . . . 546 PHE HD1 . 27034 1 885 . 1 1 85 85 PHE HD2 H 1 6.940 0.006 . 1 . . . . . 546 PHE HD2 . 27034 1 886 . 1 1 85 85 PHE HE1 H 1 6.931 0.006 . 1 . . . . . 546 PHE HE1 . 27034 1 887 . 1 1 85 85 PHE HE2 H 1 6.931 0.006 . 1 . . . . . 546 PHE HE2 . 27034 1 888 . 1 1 85 85 PHE HZ H 1 7.056 0.000 . 1 . . . . . 546 PHE HZ . 27034 1 889 . 1 1 85 85 PHE C C 13 176.624 0.000 . 1 . . . . . 546 PHE C . 27034 1 890 . 1 1 85 85 PHE CA C 13 62.575 0.096 . 1 . . . . . 546 PHE CA . 27034 1 891 . 1 1 85 85 PHE CB C 13 39.709 0.067 . 1 . . . . . 546 PHE CB . 27034 1 892 . 1 1 85 85 PHE CD1 C 13 131.755 0.009 . 1 . . . . . 546 PHE CD1 . 27034 1 893 . 1 1 85 85 PHE CE1 C 13 130.567 0.014 . 1 . . . . . 546 PHE CE1 . 27034 1 894 . 1 1 85 85 PHE N N 15 120.713 0.035 . 1 . . . . . 546 PHE N . 27034 1 895 . 1 1 86 86 VAL H H 1 8.598 0.006 . 1 . . . . . 547 VAL H . 27034 1 896 . 1 1 86 86 VAL HA H 1 3.196 0.018 . 1 . . . . . 547 VAL HA . 27034 1 897 . 1 1 86 86 VAL HB H 1 2.071 0.005 . 1 . . . . . 547 VAL HB . 27034 1 898 . 1 1 86 86 VAL HG11 H 1 1.171 0.008 . 2 . . . . . 547 VAL QG1 . 27034 1 899 . 1 1 86 86 VAL HG12 H 1 1.171 0.008 . 2 . . . . . 547 VAL QG1 . 27034 1 900 . 1 1 86 86 VAL HG13 H 1 1.171 0.008 . 2 . . . . . 547 VAL QG1 . 27034 1 901 . 1 1 86 86 VAL HG21 H 1 0.882 0.007 . 2 . . . . . 547 VAL QG2 . 27034 1 902 . 1 1 86 86 VAL HG22 H 1 0.882 0.007 . 2 . . . . . 547 VAL QG2 . 27034 1 903 . 1 1 86 86 VAL HG23 H 1 0.882 0.007 . 2 . . . . . 547 VAL QG2 . 27034 1 904 . 1 1 86 86 VAL C C 13 177.190 0.004 . 1 . . . . . 547 VAL C . 27034 1 905 . 1 1 86 86 VAL CA C 13 66.985 0.062 . 1 . . . . . 547 VAL CA . 27034 1 906 . 1 1 86 86 VAL CB C 13 31.453 0.057 . 1 . . . . . 547 VAL CB . 27034 1 907 . 1 1 86 86 VAL CG1 C 13 23.825 0.104 . 1 . . . . . 547 VAL CG1 . 27034 1 908 . 1 1 86 86 VAL CG2 C 13 21.754 0.078 . 1 . . . . . 547 VAL CG2 . 27034 1 909 . 1 1 86 86 VAL N N 15 117.900 0.020 . 1 . . . . . 547 VAL N . 27034 1 910 . 1 1 87 87 ARG H H 1 7.628 0.006 . 1 . . . . . 548 ARG H . 27034 1 911 . 1 1 87 87 ARG HA H 1 3.784 0.004 . 1 . . . . . 548 ARG HA . 27034 1 912 . 1 1 87 87 ARG HB2 H 1 1.857 0.000 . 2 . . . . . 548 ARG HB2 . 27034 1 913 . 1 1 87 87 ARG HB3 H 1 1.857 0.000 . 2 . . . . . 548 ARG HB3 . 27034 1 914 . 1 1 87 87 ARG HG2 H 1 1.637 0.000 . 2 . . . . . 548 ARG HG2 . 27034 1 915 . 1 1 87 87 ARG HG3 H 1 1.435 0.003 . 2 . . . . . 548 ARG HG3 . 27034 1 916 . 1 1 87 87 ARG HD2 H 1 3.039 0.000 . 2 . . . . . 548 ARG HD2 . 27034 1 917 . 1 1 87 87 ARG HD3 H 1 3.039 0.000 . 2 . . . . . 548 ARG HD3 . 27034 1 918 . 1 1 87 87 ARG C C 13 179.084 0.003 . 1 . . . . . 548 ARG C . 27034 1 919 . 1 1 87 87 ARG CA C 13 60.136 0.038 . 1 . . . . . 548 ARG CA . 27034 1 920 . 1 1 87 87 ARG CB C 13 29.940 0.031 . 1 . . . . . 548 ARG CB . 27034 1 921 . 1 1 87 87 ARG CG C 13 27.454 0.053 . 1 . . . . . 548 ARG CG . 27034 1 922 . 1 1 87 87 ARG N N 15 119.761 0.040 . 1 . . . . . 548 ARG N . 27034 1 923 . 1 1 88 88 LYS H H 1 7.815 0.005 . 1 . . . . . 549 LYS H . 27034 1 924 . 1 1 88 88 LYS HA H 1 3.697 0.010 . 1 . . . . . 549 LYS HA . 27034 1 925 . 1 1 88 88 LYS HB2 H 1 1.663 0.016 . 2 . . . . . 549 LYS HB2 . 27034 1 926 . 1 1 88 88 LYS HB3 H 1 1.663 0.016 . 2 . . . . . 549 LYS HB3 . 27034 1 927 . 1 1 88 88 LYS HG2 H 1 1.595 0.000 . 2 . . . . . 549 LYS HG2 . 27034 1 928 . 1 1 88 88 LYS HG3 H 1 1.234 0.001 . 2 . . . . . 549 LYS HG3 . 27034 1 929 . 1 1 88 88 LYS HD2 H 1 1.610 0.000 . 2 . . . . . 549 LYS HD2 . 27034 1 930 . 1 1 88 88 LYS HD3 H 1 1.610 0.000 . 2 . . . . . 549 LYS HD3 . 27034 1 931 . 1 1 88 88 LYS HE2 H 1 2.888 0.008 . 2 . . . . . 549 LYS HE2 . 27034 1 932 . 1 1 88 88 LYS HE3 H 1 2.888 0.008 . 2 . . . . . 549 LYS HE3 . 27034 1 933 . 1 1 88 88 LYS C C 13 178.793 0.000 . 1 . . . . . 549 LYS C . 27034 1 934 . 1 1 88 88 LYS CA C 13 59.598 0.068 . 1 . . . . . 549 LYS CA . 27034 1 935 . 1 1 88 88 LYS CB C 13 31.984 0.105 . 1 . . . . . 549 LYS CB . 27034 1 936 . 1 1 88 88 LYS CG C 13 25.414 0.029 . 1 . . . . . 549 LYS CG . 27034 1 937 . 1 1 88 88 LYS CD C 13 28.156 0.000 . 1 . . . . . 549 LYS CD . 27034 1 938 . 1 1 88 88 LYS CE C 13 41.660 0.000 . 1 . . . . . 549 LYS CE . 27034 1 939 . 1 1 88 88 LYS N N 15 118.930 0.048 . 1 . . . . . 549 LYS N . 27034 1 940 . 1 1 89 89 LEU H H 1 8.305 0.009 . 1 . . . . . 550 LEU H . 27034 1 941 . 1 1 89 89 LEU HA H 1 3.679 0.010 . 1 . . . . . 550 LEU HA . 27034 1 942 . 1 1 89 89 LEU HB2 H 1 1.555 0.011 . 2 . . . . . 550 LEU HB2 . 27034 1 943 . 1 1 89 89 LEU HB3 H 1 0.934 0.009 . 2 . . . . . 550 LEU HB3 . 27034 1 944 . 1 1 89 89 LEU HG H 1 1.295 0.002 . 1 . . . . . 550 LEU HG . 27034 1 945 . 1 1 89 89 LEU HD11 H 1 0.755 0.012 . 2 . . . . . 550 LEU QD1 . 27034 1 946 . 1 1 89 89 LEU HD12 H 1 0.755 0.012 . 2 . . . . . 550 LEU QD1 . 27034 1 947 . 1 1 89 89 LEU HD13 H 1 0.755 0.012 . 2 . . . . . 550 LEU QD1 . 27034 1 948 . 1 1 89 89 LEU HD21 H 1 0.741 0.004 . 2 . . . . . 550 LEU QD2 . 27034 1 949 . 1 1 89 89 LEU HD22 H 1 0.741 0.004 . 2 . . . . . 550 LEU QD2 . 27034 1 950 . 1 1 89 89 LEU HD23 H 1 0.741 0.004 . 2 . . . . . 550 LEU QD2 . 27034 1 951 . 1 1 89 89 LEU C C 13 178.628 0.000 . 1 . . . . . 550 LEU C . 27034 1 952 . 1 1 89 89 LEU CA C 13 57.794 0.084 . 1 . . . . . 550 LEU CA . 27034 1 953 . 1 1 89 89 LEU CB C 13 42.047 0.114 . 1 . . . . . 550 LEU CB . 27034 1 954 . 1 1 89 89 LEU CG C 13 26.391 0.053 . 1 . . . . . 550 LEU CG . 27034 1 955 . 1 1 89 89 LEU CD1 C 13 26.149 0.042 . 1 . . . . . 550 LEU CD1 . 27034 1 956 . 1 1 89 89 LEU CD2 C 13 24.870 0.084 . 1 . . . . . 550 LEU CD2 . 27034 1 957 . 1 1 89 89 LEU N N 15 121.410 0.064 . 1 . . . . . 550 LEU N . 27034 1 958 . 1 1 90 90 ARG H H 1 8.123 0.008 . 1 . . . . . 551 ARG H . 27034 1 959 . 1 1 90 90 ARG HA H 1 3.546 0.007 . 1 . . . . . 551 ARG HA . 27034 1 960 . 1 1 90 90 ARG HB2 H 1 1.905 0.002 . 2 . . . . . 551 ARG HB2 . 27034 1 961 . 1 1 90 90 ARG HB3 H 1 1.746 0.005 . 2 . . . . . 551 ARG HB3 . 27034 1 962 . 1 1 90 90 ARG HG2 H 1 1.711 0.000 . 2 . . . . . 551 ARG HG2 . 27034 1 963 . 1 1 90 90 ARG HG3 H 1 1.711 0.000 . 2 . . . . . 551 ARG HG3 . 27034 1 964 . 1 1 90 90 ARG HD2 H 1 3.022 0.001 . 2 . . . . . 551 ARG HD2 . 27034 1 965 . 1 1 90 90 ARG HD3 H 1 3.022 0.001 . 2 . . . . . 551 ARG HD3 . 27034 1 966 . 1 1 90 90 ARG C C 13 179.186 0.000 . 1 . . . . . 551 ARG C . 27034 1 967 . 1 1 90 90 ARG CA C 13 60.011 0.047 . 1 . . . . . 551 ARG CA . 27034 1 968 . 1 1 90 90 ARG CB C 13 30.523 0.092 . 1 . . . . . 551 ARG CB . 27034 1 969 . 1 1 90 90 ARG CG C 13 27.668 0.071 . 1 . . . . . 551 ARG CG . 27034 1 970 . 1 1 90 90 ARG CD C 13 43.929 0.000 . 1 . . . . . 551 ARG CD . 27034 1 971 . 1 1 90 90 ARG N N 15 117.286 0.037 . 1 . . . . . 551 ARG N . 27034 1 972 . 1 1 91 91 VAL H H 1 7.393 0.014 . 1 . . . . . 552 VAL H . 27034 1 973 . 1 1 91 91 VAL HA H 1 3.564 0.011 . 1 . . . . . 552 VAL HA . 27034 1 974 . 1 1 91 91 VAL HB H 1 2.111 0.012 . 1 . . . . . 552 VAL HB . 27034 1 975 . 1 1 91 91 VAL HG11 H 1 0.991 0.003 . 2 . . . . . 552 VAL QG1 . 27034 1 976 . 1 1 91 91 VAL HG12 H 1 0.991 0.003 . 2 . . . . . 552 VAL QG1 . 27034 1 977 . 1 1 91 91 VAL HG13 H 1 0.991 0.003 . 2 . . . . . 552 VAL QG1 . 27034 1 978 . 1 1 91 91 VAL HG21 H 1 0.828 0.006 . 2 . . . . . 552 VAL QG2 . 27034 1 979 . 1 1 91 91 VAL HG22 H 1 0.828 0.006 . 2 . . . . . 552 VAL QG2 . 27034 1 980 . 1 1 91 91 VAL HG23 H 1 0.828 0.006 . 2 . . . . . 552 VAL QG2 . 27034 1 981 . 1 1 91 91 VAL C C 13 176.370 1.394 . 1 . . . . . 552 VAL C . 27034 1 982 . 1 1 91 91 VAL CA C 13 65.989 0.071 . 1 . . . . . 552 VAL CA . 27034 1 983 . 1 1 91 91 VAL CB C 13 31.779 0.064 . 1 . . . . . 552 VAL CB . 27034 1 984 . 1 1 91 91 VAL CG1 C 13 22.702 0.034 . 1 . . . . . 552 VAL CG1 . 27034 1 985 . 1 1 91 91 VAL CG2 C 13 21.209 0.092 . 1 . . . . . 552 VAL CG2 . 27034 1 986 . 1 1 91 91 VAL N N 15 118.596 0.052 . 1 . . . . . 552 VAL N . 27034 1 987 . 1 1 92 92 ILE H H 1 7.582 0.016 . 1 . . . . . 553 ILE H . 27034 1 988 . 1 1 92 92 ILE HA H 1 3.661 0.007 . 1 . . . . . 553 ILE HA . 27034 1 989 . 1 1 92 92 ILE HB H 1 1.576 0.003 . 1 . . . . . 553 ILE HB . 27034 1 990 . 1 1 92 92 ILE HG12 H 1 1.608 0.002 . 2 . . . . . 553 ILE HG12 . 27034 1 991 . 1 1 92 92 ILE HG13 H 1 0.941 0.001 . 2 . . . . . 553 ILE HG13 . 27034 1 992 . 1 1 92 92 ILE HG21 H 1 0.768 0.003 . 1 . . . . . 553 ILE QG2 . 27034 1 993 . 1 1 92 92 ILE HG22 H 1 0.768 0.003 . 1 . . . . . 553 ILE QG2 . 27034 1 994 . 1 1 92 92 ILE HG23 H 1 0.768 0.003 . 1 . . . . . 553 ILE QG2 . 27034 1 995 . 1 1 92 92 ILE HD11 H 1 0.697 0.003 . 1 . . . . . 553 ILE QD1 . 27034 1 996 . 1 1 92 92 ILE HD12 H 1 0.697 0.003 . 1 . . . . . 553 ILE QD1 . 27034 1 997 . 1 1 92 92 ILE HD13 H 1 0.697 0.003 . 1 . . . . . 553 ILE QD1 . 27034 1 998 . 1 1 92 92 ILE C C 13 177.564 0.000 . 1 . . . . . 553 ILE C . 27034 1 999 . 1 1 92 92 ILE CA C 13 64.720 0.083 . 1 . . . . . 553 ILE CA . 27034 1 1000 . 1 1 92 92 ILE CB C 13 39.024 0.027 . 1 . . . . . 553 ILE CB . 27034 1 1001 . 1 1 92 92 ILE CG1 C 13 28.977 0.019 . 1 . . . . . 553 ILE CG1 . 27034 1 1002 . 1 1 92 92 ILE CG2 C 13 17.340 0.064 . 1 . . . . . 553 ILE CG2 . 27034 1 1003 . 1 1 92 92 ILE CD1 C 13 13.728 0.022 . 1 . . . . . 553 ILE CD1 . 27034 1 1004 . 1 1 92 92 ILE N N 15 118.713 0.046 . 1 . . . . . 553 ILE N . 27034 1 1005 . 1 1 93 93 VAL H H 1 8.318 0.010 . 1 . . . . . 554 VAL H . 27034 1 1006 . 1 1 93 93 VAL HA H 1 3.905 0.010 . 1 . . . . . 554 VAL HA . 27034 1 1007 . 1 1 93 93 VAL HB H 1 2.031 0.004 . 1 . . . . . 554 VAL HB . 27034 1 1008 . 1 1 93 93 VAL HG11 H 1 0.853 0.004 . 2 . . . . . 554 VAL QG1 . 27034 1 1009 . 1 1 93 93 VAL HG12 H 1 0.853 0.004 . 2 . . . . . 554 VAL QG1 . 27034 1 1010 . 1 1 93 93 VAL HG13 H 1 0.853 0.004 . 2 . . . . . 554 VAL QG1 . 27034 1 1011 . 1 1 93 93 VAL HG21 H 1 0.876 0.002 . 2 . . . . . 554 VAL QG2 . 27034 1 1012 . 1 1 93 93 VAL HG22 H 1 0.876 0.002 . 2 . . . . . 554 VAL QG2 . 27034 1 1013 . 1 1 93 93 VAL HG23 H 1 0.876 0.002 . 2 . . . . . 554 VAL QG2 . 27034 1 1014 . 1 1 93 93 VAL C C 13 176.484 0.000 . 1 . . . . . 554 VAL C . 27034 1 1015 . 1 1 93 93 VAL CA C 13 63.709 0.112 . 1 . . . . . 554 VAL CA . 27034 1 1016 . 1 1 93 93 VAL CB C 13 32.727 0.077 . 1 . . . . . 554 VAL CB . 27034 1 1017 . 1 1 93 93 VAL CG1 C 13 22.799 0.036 . 1 . . . . . 554 VAL CG1 . 27034 1 1018 . 1 1 93 93 VAL CG2 C 13 22.043 0.153 . 1 . . . . . 554 VAL CG2 . 27034 1 1019 . 1 1 93 93 VAL N N 15 114.054 0.142 . 1 . . . . . 554 VAL N . 27034 1 1020 . 1 1 94 94 GLY H H 1 7.491 0.014 . 1 . . . . . 555 GLY H . 27034 1 1021 . 1 1 94 94 GLY HA2 H 1 4.391 0.010 . 2 . . . . . 555 GLY HA2 . 27034 1 1022 . 1 1 94 94 GLY HA3 H 1 3.790 0.008 . 2 . . . . . 555 GLY HA3 . 27034 1 1023 . 1 1 94 94 GLY C C 13 173.655 0.000 . 1 . . . . . 555 GLY C . 27034 1 1024 . 1 1 94 94 GLY CA C 13 44.457 0.061 . 1 . . . . . 555 GLY CA . 27034 1 1025 . 1 1 94 94 GLY N N 15 109.174 0.009 . 1 . . . . . 555 GLY N . 27034 1 1026 . 1 1 95 95 ASP H H 1 8.306 0.012 . 1 . . . . . 556 ASP H . 27034 1 1027 . 1 1 95 95 ASP HA H 1 4.245 0.010 . 1 . . . . . 556 ASP HA . 27034 1 1028 . 1 1 95 95 ASP HB2 H 1 2.515 0.016 . 2 . . . . . 556 ASP HB2 . 27034 1 1029 . 1 1 95 95 ASP HB3 H 1 2.515 0.016 . 2 . . . . . 556 ASP HB3 . 27034 1 1030 . 1 1 95 95 ASP C C 13 178.174 0.000 . 1 . . . . . 556 ASP C . 27034 1 1031 . 1 1 95 95 ASP CA C 13 57.834 0.036 . 1 . . . . . 556 ASP CA . 27034 1 1032 . 1 1 95 95 ASP CB C 13 41.348 0.035 . 1 . . . . . 556 ASP CB . 27034 1 1033 . 1 1 95 95 ASP N N 15 121.412 0.040 . 1 . . . . . 556 ASP N . 27034 1 1034 . 1 1 96 96 ASP H H 1 8.409 0.007 . 1 . . . . . 557 ASP H . 27034 1 1035 . 1 1 96 96 ASP HA H 1 4.260 0.005 . 1 . . . . . 557 ASP HA . 27034 1 1036 . 1 1 96 96 ASP HB2 H 1 2.558 0.010 . 2 . . . . . 557 ASP HB2 . 27034 1 1037 . 1 1 96 96 ASP HB3 H 1 2.558 0.010 . 2 . . . . . 557 ASP HB3 . 27034 1 1038 . 1 1 96 96 ASP C C 13 178.656 0.000 . 1 . . . . . 557 ASP C . 27034 1 1039 . 1 1 96 96 ASP CA C 13 57.749 0.124 . 1 . . . . . 557 ASP CA . 27034 1 1040 . 1 1 96 96 ASP CB C 13 40.189 0.043 . 1 . . . . . 557 ASP CB . 27034 1 1041 . 1 1 96 96 ASP N N 15 118.437 0.006 . 1 . . . . . 557 ASP N . 27034 1 1042 . 1 1 97 97 LEU H H 1 8.354 0.008 . 1 . . . . . 558 LEU H . 27034 1 1043 . 1 1 97 97 LEU HA H 1 4.194 0.010 . 1 . . . . . 558 LEU HA . 27034 1 1044 . 1 1 97 97 LEU HB2 H 1 1.545 0.006 . 2 . . . . . 558 LEU HB2 . 27034 1 1045 . 1 1 97 97 LEU HB3 H 1 1.545 0.006 . 2 . . . . . 558 LEU HB3 . 27034 1 1046 . 1 1 97 97 LEU HG H 1 1.315 0.003 . 1 . . . . . 558 LEU HG . 27034 1 1047 . 1 1 97 97 LEU HD11 H 1 0.829 0.003 . 2 . . . . . 558 LEU QD1 . 27034 1 1048 . 1 1 97 97 LEU HD12 H 1 0.829 0.003 . 2 . . . . . 558 LEU QD1 . 27034 1 1049 . 1 1 97 97 LEU HD13 H 1 0.829 0.003 . 2 . . . . . 558 LEU QD1 . 27034 1 1050 . 1 1 97 97 LEU HD21 H 1 0.861 0.005 . 2 . . . . . 558 LEU QD2 . 27034 1 1051 . 1 1 97 97 LEU HD22 H 1 0.861 0.005 . 2 . . . . . 558 LEU QD2 . 27034 1 1052 . 1 1 97 97 LEU HD23 H 1 0.861 0.005 . 2 . . . . . 558 LEU QD2 . 27034 1 1053 . 1 1 97 97 LEU C C 13 180.265 0.000 . 1 . . . . . 558 LEU C . 27034 1 1054 . 1 1 97 97 LEU CA C 13 57.165 0.057 . 1 . . . . . 558 LEU CA . 27034 1 1055 . 1 1 97 97 LEU CB C 13 41.039 0.083 . 1 . . . . . 558 LEU CB . 27034 1 1056 . 1 1 97 97 LEU CG C 13 27.458 0.032 . 1 . . . . . 558 LEU CG . 27034 1 1057 . 1 1 97 97 LEU CD1 C 13 25.571 0.022 . 1 . . . . . 558 LEU CD1 . 27034 1 1058 . 1 1 97 97 LEU CD2 C 13 23.803 0.066 . 1 . . . . . 558 LEU CD2 . 27034 1 1059 . 1 1 97 97 LEU N N 15 121.690 0.000 . 1 . . . . . 558 LEU N . 27034 1 1060 . 1 1 98 98 LEU H H 1 7.900 0.012 . 1 . . . . . 559 LEU H . 27034 1 1061 . 1 1 98 98 LEU HA H 1 3.801 0.009 . 1 . . . . . 559 LEU HA . 27034 1 1062 . 1 1 98 98 LEU HB2 H 1 1.627 0.010 . 2 . . . . . 559 LEU HB2 . 27034 1 1063 . 1 1 98 98 LEU HB3 H 1 1.627 0.010 . 2 . . . . . 559 LEU HB3 . 27034 1 1064 . 1 1 98 98 LEU HG H 1 1.623 0.005 . 1 . . . . . 559 LEU HG . 27034 1 1065 . 1 1 98 98 LEU HD11 H 1 0.711 0.011 . 2 . . . . . 559 LEU QD1 . 27034 1 1066 . 1 1 98 98 LEU HD12 H 1 0.711 0.011 . 2 . . . . . 559 LEU QD1 . 27034 1 1067 . 1 1 98 98 LEU HD13 H 1 0.711 0.011 . 2 . . . . . 559 LEU QD1 . 27034 1 1068 . 1 1 98 98 LEU HD21 H 1 0.711 0.011 . 2 . . . . . 559 LEU QD2 . 27034 1 1069 . 1 1 98 98 LEU HD22 H 1 0.711 0.011 . 2 . . . . . 559 LEU QD2 . 27034 1 1070 . 1 1 98 98 LEU HD23 H 1 0.711 0.011 . 2 . . . . . 559 LEU QD2 . 27034 1 1071 . 1 1 98 98 LEU C C 13 177.754 0.000 . 1 . . . . . 559 LEU C . 27034 1 1072 . 1 1 98 98 LEU CA C 13 58.568 0.055 . 1 . . . . . 559 LEU CA . 27034 1 1073 . 1 1 98 98 LEU CB C 13 41.770 0.051 . 1 . . . . . 559 LEU CB . 27034 1 1074 . 1 1 98 98 LEU CG C 13 26.563 0.051 . 1 . . . . . 559 LEU CG . 27034 1 1075 . 1 1 98 98 LEU CD1 C 13 25.160 0.005 . 1 . . . . . 559 LEU CD1 . 27034 1 1076 . 1 1 98 98 LEU CD2 C 13 24.507 0.029 . 1 . . . . . 559 LEU CD2 . 27034 1 1077 . 1 1 98 98 LEU N N 15 121.621 0.044 . 1 . . . . . 559 LEU N . 27034 1 1078 . 1 1 99 99 ARG H H 1 8.450 0.010 . 1 . . . . . 560 ARG H . 27034 1 1079 . 1 1 99 99 ARG HA H 1 3.850 0.008 . 1 . . . . . 560 ARG HA . 27034 1 1080 . 1 1 99 99 ARG HB2 H 1 1.830 0.000 . 2 . . . . . 560 ARG HB2 . 27034 1 1081 . 1 1 99 99 ARG HB3 H 1 1.830 0.000 . 2 . . . . . 560 ARG HB3 . 27034 1 1082 . 1 1 99 99 ARG HG2 H 1 1.656 0.000 . 2 . . . . . 560 ARG HG2 . 27034 1 1083 . 1 1 99 99 ARG HG3 H 1 1.491 0.003 . 2 . . . . . 560 ARG HG3 . 27034 1 1084 . 1 1 99 99 ARG HD2 H 1 3.119 0.000 . 2 . . . . . 560 ARG HD2 . 27034 1 1085 . 1 1 99 99 ARG HD3 H 1 3.119 0.000 . 2 . . . . . 560 ARG HD3 . 27034 1 1086 . 1 1 99 99 ARG C C 13 179.298 0.000 . 1 . . . . . 560 ARG C . 27034 1 1087 . 1 1 99 99 ARG CA C 13 59.870 0.040 . 1 . . . . . 560 ARG CA . 27034 1 1088 . 1 1 99 99 ARG CB C 13 30.010 0.052 . 1 . . . . . 560 ARG CB . 27034 1 1089 . 1 1 99 99 ARG CG C 13 27.780 0.062 . 1 . . . . . 560 ARG CG . 27034 1 1090 . 1 1 99 99 ARG N N 15 118.010 0.036 . 1 . . . . . 560 ARG N . 27034 1 1091 . 1 1 100 100 SER H H 1 8.258 0.010 . 1 . . . . . 561 SER H . 27034 1 1092 . 1 1 100 100 SER HA H 1 4.141 0.010 . 1 . . . . . 561 SER HA . 27034 1 1093 . 1 1 100 100 SER HB2 H 1 3.912 0.004 . 2 . . . . . 561 SER HB2 . 27034 1 1094 . 1 1 100 100 SER HB3 H 1 3.874 0.005 . 2 . . . . . 561 SER HB3 . 27034 1 1095 . 1 1 100 100 SER C C 13 176.742 0.000 . 1 . . . . . 561 SER C . 27034 1 1096 . 1 1 100 100 SER CA C 13 61.391 0.161 . 1 . . . . . 561 SER CA . 27034 1 1097 . 1 1 100 100 SER CB C 13 62.667 0.078 . 1 . . . . . 561 SER CB . 27034 1 1098 . 1 1 100 100 SER N N 15 114.510 0.012 . 1 . . . . . 561 SER N . 27034 1 1099 . 1 1 101 101 THR H H 1 7.944 0.010 . 1 . . . . . 562 THR H . 27034 1 1100 . 1 1 101 101 THR HA H 1 3.867 0.014 . 1 . . . . . 562 THR HA . 27034 1 1101 . 1 1 101 101 THR HB H 1 4.078 0.004 . 1 . . . . . 562 THR HB . 27034 1 1102 . 1 1 101 101 THR HG21 H 1 1.066 0.011 . 1 . . . . . 562 THR QG2 . 27034 1 1103 . 1 1 101 101 THR HG22 H 1 1.066 0.011 . 1 . . . . . 562 THR QG2 . 27034 1 1104 . 1 1 101 101 THR HG23 H 1 1.066 0.011 . 1 . . . . . 562 THR QG2 . 27034 1 1105 . 1 1 101 101 THR CA C 13 66.729 0.041 . 1 . . . . . 562 THR CA . 27034 1 1106 . 1 1 101 101 THR CB C 13 68.487 0.109 . 1 . . . . . 562 THR CB . 27034 1 1107 . 1 1 101 101 THR CG2 C 13 21.702 0.035 . 1 . . . . . 562 THR CG2 . 27034 1 1108 . 1 1 101 101 THR N N 15 118.861 0.079 . 1 . . . . . 562 THR N . 27034 1 1109 . 1 1 102 102 ILE H H 1 8.202 0.002 . 1 . . . . . 563 ILE H . 27034 1 1110 . 1 1 102 102 ILE HA H 1 3.526 0.011 . 1 . . . . . 563 ILE HA . 27034 1 1111 . 1 1 102 102 ILE HB H 1 1.805 0.008 . 1 . . . . . 563 ILE HB . 27034 1 1112 . 1 1 102 102 ILE HG21 H 1 0.747 0.009 . 1 . . . . . 563 ILE QG2 . 27034 1 1113 . 1 1 102 102 ILE HG22 H 1 0.747 0.009 . 1 . . . . . 563 ILE QG2 . 27034 1 1114 . 1 1 102 102 ILE HG23 H 1 0.747 0.009 . 1 . . . . . 563 ILE QG2 . 27034 1 1115 . 1 1 102 102 ILE HD11 H 1 0.611 0.004 . 1 . . . . . 563 ILE QD1 . 27034 1 1116 . 1 1 102 102 ILE HD12 H 1 0.611 0.004 . 1 . . . . . 563 ILE QD1 . 27034 1 1117 . 1 1 102 102 ILE HD13 H 1 0.611 0.004 . 1 . . . . . 563 ILE QD1 . 27034 1 1118 . 1 1 102 102 ILE C C 13 177.351 0.000 . 1 . . . . . 563 ILE C . 27034 1 1119 . 1 1 102 102 ILE CA C 13 65.361 0.139 . 1 . . . . . 563 ILE CA . 27034 1 1120 . 1 1 102 102 ILE CB C 13 37.800 0.047 . 1 . . . . . 563 ILE CB . 27034 1 1121 . 1 1 102 102 ILE CG1 C 13 29.381 0.089 . 1 . . . . . 563 ILE CG1 . 27034 1 1122 . 1 1 102 102 ILE CG2 C 13 17.287 0.133 . 1 . . . . . 563 ILE CG2 . 27034 1 1123 . 1 1 102 102 ILE CD1 C 13 13.464 0.035 . 1 . . . . . 563 ILE CD1 . 27034 1 1124 . 1 1 102 102 ILE N N 15 121.636 0.000 . 1 . . . . . 563 ILE N . 27034 1 1125 . 1 1 103 103 THR H H 1 7.958 0.005 . 1 . . . . . 564 THR H . 27034 1 1126 . 1 1 103 103 THR HA H 1 3.914 0.007 . 1 . . . . . 564 THR HA . 27034 1 1127 . 1 1 103 103 THR HB H 1 4.182 0.004 . 1 . . . . . 564 THR HB . 27034 1 1128 . 1 1 103 103 THR HG21 H 1 1.144 0.011 . 1 . . . . . 564 THR QG2 . 27034 1 1129 . 1 1 103 103 THR HG22 H 1 1.144 0.011 . 1 . . . . . 564 THR QG2 . 27034 1 1130 . 1 1 103 103 THR HG23 H 1 1.144 0.011 . 1 . . . . . 564 THR QG2 . 27034 1 1131 . 1 1 103 103 THR C C 13 176.301 0.000 . 1 . . . . . 564 THR C . 27034 1 1132 . 1 1 103 103 THR CA C 13 66.249 0.046 . 1 . . . . . 564 THR CA . 27034 1 1133 . 1 1 103 103 THR CB C 13 68.837 0.087 . 1 . . . . . 564 THR CB . 27034 1 1134 . 1 1 103 103 THR CG2 C 13 21.820 0.089 . 1 . . . . . 564 THR CG2 . 27034 1 1135 . 1 1 103 103 THR N N 15 114.939 0.049 . 1 . . . . . 564 THR N . 27034 1 1136 . 1 1 104 104 THR H H 1 7.764 0.003 . 1 . . . . . 565 THR H . 27034 1 1137 . 1 1 104 104 THR HA H 1 4.006 0.012 . 1 . . . . . 565 THR HA . 27034 1 1138 . 1 1 104 104 THR HB H 1 4.229 0.019 . 1 . . . . . 565 THR HB . 27034 1 1139 . 1 1 104 104 THR HG21 H 1 1.164 0.009 . 1 . . . . . 565 THR QG2 . 27034 1 1140 . 1 1 104 104 THR HG22 H 1 1.164 0.009 . 1 . . . . . 565 THR QG2 . 27034 1 1141 . 1 1 104 104 THR HG23 H 1 1.164 0.009 . 1 . . . . . 565 THR QG2 . 27034 1 1142 . 1 1 104 104 THR C C 13 176.317 0.000 . 1 . . . . . 565 THR C . 27034 1 1143 . 1 1 104 104 THR CA C 13 65.697 0.153 . 1 . . . . . 565 THR CA . 27034 1 1144 . 1 1 104 104 THR CB C 13 68.923 0.049 . 1 . . . . . 565 THR CB . 27034 1 1145 . 1 1 104 104 THR CG2 C 13 21.699 0.079 . 1 . . . . . 565 THR CG2 . 27034 1 1146 . 1 1 104 104 THR N N 15 116.777 0.046 . 1 . . . . . 565 THR N . 27034 1 1147 . 1 1 105 105 LEU H H 1 7.897 0.009 . 1 . . . . . 566 LEU H . 27034 1 1148 . 1 1 105 105 LEU HA H 1 4.044 0.006 . 1 . . . . . 566 LEU HA . 27034 1 1149 . 1 1 105 105 LEU HB2 H 1 1.748 0.003 . 2 . . . . . 566 LEU HB2 . 27034 1 1150 . 1 1 105 105 LEU HB3 H 1 1.404 0.001 . 2 . . . . . 566 LEU HB3 . 27034 1 1151 . 1 1 105 105 LEU HG H 1 1.706 0.004 . 1 . . . . . 566 LEU HG . 27034 1 1152 . 1 1 105 105 LEU HD11 H 1 0.699 0.010 . 2 . . . . . 566 LEU QD1 . 27034 1 1153 . 1 1 105 105 LEU HD12 H 1 0.699 0.010 . 2 . . . . . 566 LEU QD1 . 27034 1 1154 . 1 1 105 105 LEU HD13 H 1 0.699 0.010 . 2 . . . . . 566 LEU QD1 . 27034 1 1155 . 1 1 105 105 LEU HD21 H 1 0.720 0.004 . 2 . . . . . 566 LEU QD2 . 27034 1 1156 . 1 1 105 105 LEU HD22 H 1 0.720 0.004 . 2 . . . . . 566 LEU QD2 . 27034 1 1157 . 1 1 105 105 LEU HD23 H 1 0.720 0.004 . 2 . . . . . 566 LEU QD2 . 27034 1 1158 . 1 1 105 105 LEU C C 13 178.757 0.011 . 1 . . . . . 566 LEU C . 27034 1 1159 . 1 1 105 105 LEU CA C 13 57.067 0.054 . 1 . . . . . 566 LEU CA . 27034 1 1160 . 1 1 105 105 LEU CB C 13 42.142 0.100 . 1 . . . . . 566 LEU CB . 27034 1 1161 . 1 1 105 105 LEU CG C 13 26.709 0.045 . 1 . . . . . 566 LEU CG . 27034 1 1162 . 1 1 105 105 LEU CD1 C 13 25.603 0.040 . 1 . . . . . 566 LEU CD1 . 27034 1 1163 . 1 1 105 105 LEU CD2 C 13 22.962 0.059 . 1 . . . . . 566 LEU CD2 . 27034 1 1164 . 1 1 105 105 LEU N N 15 121.644 0.011 . 1 . . . . . 566 LEU N . 27034 1 1165 . 1 1 106 106 GLN H H 1 8.060 0.008 . 1 . . . . . 567 GLN H . 27034 1 1166 . 1 1 106 106 GLN HA H 1 4.084 0.010 . 1 . . . . . 567 GLN HA . 27034 1 1167 . 1 1 106 106 GLN HB2 H 1 2.006 0.012 . 2 . . . . . 567 GLN HB2 . 27034 1 1168 . 1 1 106 106 GLN HB3 H 1 2.006 0.012 . 2 . . . . . 567 GLN HB3 . 27034 1 1169 . 1 1 106 106 GLN HG2 H 1 2.395 0.003 . 2 . . . . . 567 GLN HG2 . 27034 1 1170 . 1 1 106 106 GLN HG3 H 1 2.269 0.003 . 2 . . . . . 567 GLN HG3 . 27034 1 1171 . 1 1 106 106 GLN HE21 H 1 7.232 0.008 . 2 . . . . . 567 GLN HE21 . 27034 1 1172 . 1 1 106 106 GLN HE22 H 1 6.711 0.006 . 2 . . . . . 567 GLN HE22 . 27034 1 1173 . 1 1 106 106 GLN C C 13 176.268 0.002 . 1 . . . . . 567 GLN C . 27034 1 1174 . 1 1 106 106 GLN CA C 13 57.139 0.080 . 1 . . . . . 567 GLN CA . 27034 1 1175 . 1 1 106 106 GLN CB C 13 29.007 0.028 . 1 . . . . . 567 GLN CB . 27034 1 1176 . 1 1 106 106 GLN CG C 13 34.149 0.075 . 1 . . . . . 567 GLN CG . 27034 1 1177 . 1 1 106 106 GLN N N 15 117.576 0.045 . 1 . . . . . 567 GLN N . 27034 1 1178 . 1 1 106 106 GLN NE2 N 15 111.009 0.053 . 1 . . . . . 567 GLN NE2 . 27034 1 1179 . 1 1 107 107 ASN H H 1 7.745 0.008 . 1 . . . . . 568 ASN H . 27034 1 1180 . 1 1 107 107 ASN HA H 1 4.646 0.003 . 1 . . . . . 568 ASN HA . 27034 1 1181 . 1 1 107 107 ASN HB2 H 1 2.808 0.002 . 2 . . . . . 568 ASN HB2 . 27034 1 1182 . 1 1 107 107 ASN HB3 H 1 2.670 0.004 . 2 . . . . . 568 ASN HB3 . 27034 1 1183 . 1 1 107 107 ASN HD21 H 1 7.532 0.004 . 2 . . . . . 568 ASN HD21 . 27034 1 1184 . 1 1 107 107 ASN HD22 H 1 6.863 0.007 . 2 . . . . . 568 ASN HD22 . 27034 1 1185 . 1 1 107 107 ASN C C 13 174.785 0.007 . 1 . . . . . 568 ASN C . 27034 1 1186 . 1 1 107 107 ASN CA C 13 53.174 0.104 . 1 . . . . . 568 ASN CA . 27034 1 1187 . 1 1 107 107 ASN CB C 13 38.986 0.037 . 1 . . . . . 568 ASN CB . 27034 1 1188 . 1 1 107 107 ASN N N 15 117.217 0.017 . 1 . . . . . 568 ASN N . 27034 1 1189 . 1 1 107 107 ASN ND2 N 15 112.799 0.016 . 1 . . . . . 568 ASN ND2 . 27034 1 1190 . 1 1 108 108 GLN H H 1 7.776 0.007 . 1 . . . . . 569 GLN H . 27034 1 1191 . 1 1 108 108 GLN HA H 1 4.508 0.008 . 1 . . . . . 569 GLN HA . 27034 1 1192 . 1 1 108 108 GLN HB2 H 1 2.029 0.003 . 2 . . . . . 569 GLN HB2 . 27034 1 1193 . 1 1 108 108 GLN HB3 H 1 1.914 0.004 . 2 . . . . . 569 GLN HB3 . 27034 1 1194 . 1 1 108 108 GLN HG2 H 1 2.367 0.003 . 2 . . . . . 569 GLN HG2 . 27034 1 1195 . 1 1 108 108 GLN HG3 H 1 2.367 0.003 . 2 . . . . . 569 GLN HG3 . 27034 1 1196 . 1 1 108 108 GLN HE21 H 1 7.426 0.000 . 2 . . . . . 569 GLN HE21 . 27034 1 1197 . 1 1 108 108 GLN HE22 H 1 6.770 0.000 . 2 . . . . . 569 GLN HE22 . 27034 1 1198 . 1 1 108 108 GLN C C 13 173.831 0.012 . 1 . . . . . 569 GLN C . 27034 1 1199 . 1 1 108 108 GLN CA C 13 54.087 0.041 . 1 . . . . . 569 GLN CA . 27034 1 1200 . 1 1 108 108 GLN CB C 13 28.645 0.072 . 1 . . . . . 569 GLN CB . 27034 1 1201 . 1 1 108 108 GLN CG C 13 33.562 0.070 . 1 . . . . . 569 GLN CG . 27034 1 1202 . 1 1 108 108 GLN N N 15 120.925 0.013 . 1 . . . . . 569 GLN N . 27034 1 1203 . 1 1 108 108 GLN NE2 N 15 112.364 0.007 . 1 . . . . . 569 GLN NE2 . 27034 1 1204 . 1 1 109 109 PRO HA H 1 4.336 0.009 . 1 . . . . . 570 PRO HA . 27034 1 1205 . 1 1 109 109 PRO HB2 H 1 2.212 0.008 . 2 . . . . . 570 PRO HB2 . 27034 1 1206 . 1 1 109 109 PRO HB3 H 1 1.824 0.002 . 2 . . . . . 570 PRO HB3 . 27034 1 1207 . 1 1 109 109 PRO HG2 H 1 1.940 0.003 . 2 . . . . . 570 PRO HG2 . 27034 1 1208 . 1 1 109 109 PRO HG3 H 1 1.940 0.003 . 2 . . . . . 570 PRO HG3 . 27034 1 1209 . 1 1 109 109 PRO HD2 H 1 3.722 0.008 . 2 . . . . . 570 PRO HD2 . 27034 1 1210 . 1 1 109 109 PRO HD3 H 1 3.549 0.007 . 2 . . . . . 570 PRO HD3 . 27034 1 1211 . 1 1 109 109 PRO C C 13 176.924 0.048 . 1 . . . . . 570 PRO C . 27034 1 1212 . 1 1 109 109 PRO CA C 13 63.087 0.043 . 1 . . . . . 570 PRO CA . 27034 1 1213 . 1 1 109 109 PRO CB C 13 32.096 0.065 . 1 . . . . . 570 PRO CB . 27034 1 1214 . 1 1 109 109 PRO CG C 13 27.390 0.098 . 1 . . . . . 570 PRO CG . 27034 1 1215 . 1 1 109 109 PRO CD C 13 50.663 0.062 . 1 . . . . . 570 PRO CD . 27034 1 1216 . 1 1 109 109 PRO N N 15 137.318 0.008 . 1 . . . . . 570 PRO N . 27034 1 1217 . 1 1 110 110 LYS H H 1 8.384 0.010 . 1 . . . . . 571 LYS H . 27034 1 1218 . 1 1 110 110 LYS HA H 1 4.217 0.005 . 1 . . . . . 571 LYS HA . 27034 1 1219 . 1 1 110 110 LYS HB2 H 1 1.759 0.004 . 2 . . . . . 571 LYS HB2 . 27034 1 1220 . 1 1 110 110 LYS HB3 H 1 1.663 0.006 . 2 . . . . . 571 LYS HB3 . 27034 1 1221 . 1 1 110 110 LYS HG2 H 1 1.382 0.000 . 2 . . . . . 571 LYS HG2 . 27034 1 1222 . 1 1 110 110 LYS HG3 H 1 1.382 0.000 . 2 . . . . . 571 LYS HG3 . 27034 1 1223 . 1 1 110 110 LYS HD2 H 1 1.705 0.000 . 2 . . . . . 571 LYS HD2 . 27034 1 1224 . 1 1 110 110 LYS HD3 H 1 1.705 0.000 . 2 . . . . . 571 LYS HD3 . 27034 1 1225 . 1 1 110 110 LYS HE2 H 1 2.905 0.000 . 2 . . . . . 571 LYS HE2 . 27034 1 1226 . 1 1 110 110 LYS HE3 H 1 2.905 0.000 . 2 . . . . . 571 LYS HE3 . 27034 1 1227 . 1 1 110 110 LYS C C 13 176.784 0.015 . 1 . . . . . 571 LYS C . 27034 1 1228 . 1 1 110 110 LYS CA C 13 56.282 0.027 . 1 . . . . . 571 LYS CA . 27034 1 1229 . 1 1 110 110 LYS CB C 13 32.869 0.103 . 1 . . . . . 571 LYS CB . 27034 1 1230 . 1 1 110 110 LYS CG C 13 24.796 0.068 . 1 . . . . . 571 LYS CG . 27034 1 1231 . 1 1 110 110 LYS CD C 13 29.141 0.000 . 1 . . . . . 571 LYS CD . 27034 1 1232 . 1 1 110 110 LYS CE C 13 42.273 0.000 . 1 . . . . . 571 LYS CE . 27034 1 1233 . 1 1 110 110 LYS N N 15 121.491 0.061 . 1 . . . . . 571 LYS N . 27034 1 1234 . 1 1 111 111 SER H H 1 8.224 0.000 . 1 . . . . . 572 SER H . 27034 1 1235 . 1 1 111 111 SER HA H 1 4.325 0.006 . 1 . . . . . 572 SER HA . 27034 1 1236 . 1 1 111 111 SER HB2 H 1 3.811 0.003 . 2 . . . . . 572 SER HB2 . 27034 1 1237 . 1 1 111 111 SER HB3 H 1 3.773 0.005 . 2 . . . . . 572 SER HB3 . 27034 1 1238 . 1 1 111 111 SER HG H 1 5.576 0.002 . 1 . . . . . 572 SER HG . 27034 1 1239 . 1 1 111 111 SER C C 13 174.512 0.030 . 1 . . . . . 572 SER C . 27034 1 1240 . 1 1 111 111 SER CA C 13 58.325 0.046 . 1 . . . . . 572 SER CA . 27034 1 1241 . 1 1 111 111 SER CB C 13 63.875 0.104 . 1 . . . . . 572 SER CB . 27034 1 1242 . 1 1 111 111 SER N N 15 116.897 0.047 . 1 . . . . . 572 SER N . 27034 1 1243 . 1 1 112 112 LYS H H 1 8.285 0.005 . 1 . . . . . 573 LYS H . 27034 1 1244 . 1 1 112 112 LYS HA H 1 4.217 0.010 . 1 . . . . . 573 LYS HA . 27034 1 1245 . 1 1 112 112 LYS HB2 H 1 1.765 0.003 . 2 . . . . . 573 LYS HB2 . 27034 1 1246 . 1 1 112 112 LYS HB3 H 1 1.669 0.004 . 2 . . . . . 573 LYS HB3 . 27034 1 1247 . 1 1 112 112 LYS HG2 H 1 1.383 0.000 . 2 . . . . . 573 LYS HG2 . 27034 1 1248 . 1 1 112 112 LYS HG3 H 1 1.366 0.011 . 2 . . . . . 573 LYS HG3 . 27034 1 1249 . 1 1 112 112 LYS HD2 H 1 1.595 0.001 . 2 . . . . . 573 LYS HD2 . 27034 1 1250 . 1 1 112 112 LYS HD3 H 1 1.595 0.001 . 2 . . . . . 573 LYS HD3 . 27034 1 1251 . 1 1 112 112 LYS HE2 H 1 2.914 0.000 . 2 . . . . . 573 LYS HE2 . 27034 1 1252 . 1 1 112 112 LYS HE3 H 1 2.914 0.000 . 2 . . . . . 573 LYS HE3 . 27034 1 1253 . 1 1 112 112 LYS C C 13 176.273 0.018 . 1 . . . . . 573 LYS C . 27034 1 1254 . 1 1 112 112 LYS CA C 13 56.427 0.043 . 1 . . . . . 573 LYS CA . 27034 1 1255 . 1 1 112 112 LYS CB C 13 32.877 0.061 . 1 . . . . . 573 LYS CB . 27034 1 1256 . 1 1 112 112 LYS CG C 13 24.725 0.054 . 1 . . . . . 573 LYS CG . 27034 1 1257 . 1 1 112 112 LYS CD C 13 29.022 0.004 . 1 . . . . . 573 LYS CD . 27034 1 1258 . 1 1 112 112 LYS CE C 13 42.084 0.000 . 1 . . . . . 573 LYS CE . 27034 1 1259 . 1 1 112 112 LYS N N 15 122.865 0.080 . 1 . . . . . 573 LYS N . 27034 1 1260 . 1 1 113 113 GLU H H 1 8.248 0.001 . 1 . . . . . 574 GLU H . 27034 1 1261 . 1 1 113 113 GLU HA H 1 4.176 0.006 . 1 . . . . . 574 GLU HA . 27034 1 1262 . 1 1 113 113 GLU HB2 H 1 1.854 0.000 . 2 . . . . . 574 GLU HB2 . 27034 1 1263 . 1 1 113 113 GLU HB3 H 1 1.854 0.000 . 2 . . . . . 574 GLU HB3 . 27034 1 1264 . 1 1 113 113 GLU HG2 H 1 2.114 0.005 . 2 . . . . . 574 GLU HG2 . 27034 1 1265 . 1 1 113 113 GLU HG3 H 1 2.114 0.005 . 2 . . . . . 574 GLU HG3 . 27034 1 1266 . 1 1 113 113 GLU C C 13 176.040 0.005 . 1 . . . . . 574 GLU C . 27034 1 1267 . 1 1 113 113 GLU CA C 13 56.277 0.049 . 1 . . . . . 574 GLU CA . 27034 1 1268 . 1 1 113 113 GLU CB C 13 30.154 0.066 . 1 . . . . . 574 GLU CB . 27034 1 1269 . 1 1 113 113 GLU CG C 13 36.353 0.043 . 1 . . . . . 574 GLU CG . 27034 1 1270 . 1 1 113 113 GLU N N 15 121.679 0.043 . 1 . . . . . 574 GLU N . 27034 1 1271 . 1 1 114 114 ILE H H 1 8.190 0.012 . 1 . . . . . 575 ILE H . 27034 1 1272 . 1 1 114 114 ILE HA H 1 4.356 0.005 . 1 . . . . . 575 ILE HA . 27034 1 1273 . 1 1 114 114 ILE HB H 1 1.772 0.002 . 1 . . . . . 575 ILE HB . 27034 1 1274 . 1 1 114 114 ILE HG12 H 1 1.416 0.010 . 2 . . . . . 575 ILE HG12 . 27034 1 1275 . 1 1 114 114 ILE HG13 H 1 1.093 0.009 . 2 . . . . . 575 ILE HG13 . 27034 1 1276 . 1 1 114 114 ILE HG21 H 1 0.853 0.004 . 1 . . . . . 575 ILE QG2 . 27034 1 1277 . 1 1 114 114 ILE HG22 H 1 0.853 0.004 . 1 . . . . . 575 ILE QG2 . 27034 1 1278 . 1 1 114 114 ILE HG23 H 1 0.853 0.004 . 1 . . . . . 575 ILE QG2 . 27034 1 1279 . 1 1 114 114 ILE HD11 H 1 0.774 0.004 . 1 . . . . . 575 ILE QD1 . 27034 1 1280 . 1 1 114 114 ILE HD12 H 1 0.774 0.004 . 1 . . . . . 575 ILE QD1 . 27034 1 1281 . 1 1 114 114 ILE HD13 H 1 0.774 0.004 . 1 . . . . . 575 ILE QD1 . 27034 1 1282 . 1 1 114 114 ILE C C 13 174.562 0.009 . 1 . . . . . 575 ILE C . 27034 1 1283 . 1 1 114 114 ILE CA C 13 58.485 0.091 . 1 . . . . . 575 ILE CA . 27034 1 1284 . 1 1 114 114 ILE CB C 13 38.484 0.046 . 1 . . . . . 575 ILE CB . 27034 1 1285 . 1 1 114 114 ILE CG1 C 13 26.930 0.049 . 1 . . . . . 575 ILE CG1 . 27034 1 1286 . 1 1 114 114 ILE CG2 C 13 17.069 0.021 . 1 . . . . . 575 ILE CG2 . 27034 1 1287 . 1 1 114 114 ILE CD1 C 13 12.616 0.048 . 1 . . . . . 575 ILE CD1 . 27034 1 1288 . 1 1 114 114 ILE N N 15 123.834 0.070 . 1 . . . . . 575 ILE N . 27034 1 1289 . 1 1 115 115 PRO HA H 1 4.327 0.005 . 1 . . . . . 576 PRO HA . 27034 1 1290 . 1 1 115 115 PRO HB2 H 1 2.221 0.002 . 2 . . . . . 576 PRO HB2 . 27034 1 1291 . 1 1 115 115 PRO HB3 H 1 1.829 0.000 . 2 . . . . . 576 PRO HB3 . 27034 1 1292 . 1 1 115 115 PRO HG2 H 1 1.978 0.006 . 2 . . . . . 576 PRO HG2 . 27034 1 1293 . 1 1 115 115 PRO HG3 H 1 1.900 0.006 . 2 . . . . . 576 PRO HG3 . 27034 1 1294 . 1 1 115 115 PRO HD2 H 1 3.820 0.002 . 2 . . . . . 576 PRO HD2 . 27034 1 1295 . 1 1 115 115 PRO HD3 H 1 3.605 0.007 . 2 . . . . . 576 PRO HD3 . 27034 1 1296 . 1 1 115 115 PRO C C 13 177.442 0.009 . 1 . . . . . 576 PRO C . 27034 1 1297 . 1 1 115 115 PRO CA C 13 63.589 0.091 . 1 . . . . . 576 PRO CA . 27034 1 1298 . 1 1 115 115 PRO CB C 13 32.020 0.037 . 1 . . . . . 576 PRO CB . 27034 1 1299 . 1 1 115 115 PRO CG C 13 27.384 0.052 . 1 . . . . . 576 PRO CG . 27034 1 1300 . 1 1 115 115 PRO CD C 13 51.099 0.111 . 1 . . . . . 576 PRO CD . 27034 1 1301 . 1 1 115 115 PRO N N 15 140.460 0.010 . 1 . . . . . 576 PRO N . 27034 1 1302 . 1 1 116 116 GLY H H 1 8.481 0.005 . 1 . . . . . 577 GLY H . 27034 1 1303 . 1 1 116 116 GLY HA2 H 1 3.895 0.012 . 2 . . . . . 577 GLY HA2 . 27034 1 1304 . 1 1 116 116 GLY HA3 H 1 3.895 0.012 . 2 . . . . . 577 GLY HA3 . 27034 1 1305 . 1 1 116 116 GLY C C 13 174.190 0.005 . 1 . . . . . 577 GLY C . 27034 1 1306 . 1 1 116 116 GLY CA C 13 45.265 0.060 . 1 . . . . . 577 GLY CA . 27034 1 1307 . 1 1 116 116 GLY N N 15 109.780 0.013 . 1 . . . . . 577 GLY N . 27034 1 1308 . 1 1 117 117 SER H H 1 8.039 0.002 . 1 . . . . . 578 SER H . 27034 1 1309 . 1 1 117 117 SER HA H 1 4.364 0.009 . 1 . . . . . 578 SER HA . 27034 1 1310 . 1 1 117 117 SER HB2 H 1 3.785 0.012 . 2 . . . . . 578 SER HB2 . 27034 1 1311 . 1 1 117 117 SER HB3 H 1 3.785 0.012 . 2 . . . . . 578 SER HB3 . 27034 1 1312 . 1 1 117 117 SER C C 13 174.541 0.006 . 1 . . . . . 578 SER C . 27034 1 1313 . 1 1 117 117 SER CA C 13 58.399 0.003 . 1 . . . . . 578 SER CA . 27034 1 1314 . 1 1 117 117 SER CB C 13 63.943 0.064 . 1 . . . . . 578 SER CB . 27034 1 1315 . 1 1 117 117 SER N N 15 115.272 0.030 . 1 . . . . . 578 SER N . 27034 1 1316 . 1 1 118 118 ILE H H 1 8.106 0.002 . 1 . . . . . 579 ILE H . 27034 1 1317 . 1 1 118 118 ILE HA H 1 4.092 0.005 . 1 . . . . . 579 ILE HA . 27034 1 1318 . 1 1 118 118 ILE HB H 1 1.773 0.002 . 1 . . . . . 579 ILE HB . 27034 1 1319 . 1 1 118 118 ILE HG12 H 1 1.373 0.006 . 2 . . . . . 579 ILE HG12 . 27034 1 1320 . 1 1 118 118 ILE HG13 H 1 1.084 0.012 . 2 . . . . . 579 ILE HG13 . 27034 1 1321 . 1 1 118 118 ILE HG21 H 1 0.795 0.004 . 1 . . . . . 579 ILE QG2 . 27034 1 1322 . 1 1 118 118 ILE HG22 H 1 0.795 0.004 . 1 . . . . . 579 ILE QG2 . 27034 1 1323 . 1 1 118 118 ILE HG23 H 1 0.795 0.004 . 1 . . . . . 579 ILE QG2 . 27034 1 1324 . 1 1 118 118 ILE HD11 H 1 0.766 0.012 . 1 . . . . . 579 ILE QD1 . 27034 1 1325 . 1 1 118 118 ILE HD12 H 1 0.766 0.012 . 1 . . . . . 579 ILE QD1 . 27034 1 1326 . 1 1 118 118 ILE HD13 H 1 0.766 0.012 . 1 . . . . . 579 ILE QD1 . 27034 1 1327 . 1 1 118 118 ILE C C 13 176.175 0.010 . 1 . . . . . 579 ILE C . 27034 1 1328 . 1 1 118 118 ILE CA C 13 61.302 0.053 . 1 . . . . . 579 ILE CA . 27034 1 1329 . 1 1 118 118 ILE CB C 13 38.487 0.049 . 1 . . . . . 579 ILE CB . 27034 1 1330 . 1 1 118 118 ILE CG1 C 13 27.282 0.066 . 1 . . . . . 579 ILE CG1 . 27034 1 1331 . 1 1 118 118 ILE CG2 C 13 17.497 0.072 . 1 . . . . . 579 ILE CG2 . 27034 1 1332 . 1 1 118 118 ILE CD1 C 13 12.867 0.107 . 1 . . . . . 579 ILE CD1 . 27034 1 1333 . 1 1 118 118 ILE N N 15 122.368 0.048 . 1 . . . . . 579 ILE N . 27034 1 1334 . 1 1 119 119 ARG H H 1 8.264 0.007 . 1 . . . . . 580 ARG H . 27034 1 1335 . 1 1 119 119 ARG HA H 1 4.240 0.009 . 1 . . . . . 580 ARG HA . 27034 1 1336 . 1 1 119 119 ARG HB2 H 1 1.722 0.006 . 2 . . . . . 580 ARG HB2 . 27034 1 1337 . 1 1 119 119 ARG HB3 H 1 1.617 0.004 . 2 . . . . . 580 ARG HB3 . 27034 1 1338 . 1 1 119 119 ARG HG2 H 1 1.501 0.007 . 2 . . . . . 580 ARG HG2 . 27034 1 1339 . 1 1 119 119 ARG HG3 H 1 1.501 0.007 . 2 . . . . . 580 ARG HG3 . 27034 1 1340 . 1 1 119 119 ARG HD2 H 1 3.060 0.000 . 2 . . . . . 580 ARG HD2 . 27034 1 1341 . 1 1 119 119 ARG HD3 H 1 3.060 0.000 . 2 . . . . . 580 ARG HD3 . 27034 1 1342 . 1 1 119 119 ARG C C 13 175.943 0.005 . 1 . . . . . 580 ARG C . 27034 1 1343 . 1 1 119 119 ARG CA C 13 55.986 0.046 . 1 . . . . . 580 ARG CA . 27034 1 1344 . 1 1 119 119 ARG CB C 13 30.798 0.047 . 1 . . . . . 580 ARG CB . 27034 1 1345 . 1 1 119 119 ARG CG C 13 27.018 0.037 . 1 . . . . . 580 ARG CG . 27034 1 1346 . 1 1 119 119 ARG CD C 13 43.368 0.012 . 1 . . . . . 580 ARG CD . 27034 1 1347 . 1 1 119 119 ARG N N 15 124.649 0.009 . 1 . . . . . 580 ARG N . 27034 1 1348 . 1 1 120 120 ASP H H 1 8.213 0.001 . 1 . . . . . 581 ASP H . 27034 1 1349 . 1 1 120 120 ASP HA H 1 4.434 0.003 . 1 . . . . . 581 ASP HA . 27034 1 1350 . 1 1 120 120 ASP HB2 H 1 2.529 0.004 . 2 . . . . . 581 ASP HB2 . 27034 1 1351 . 1 1 120 120 ASP HB3 H 1 2.529 0.004 . 2 . . . . . 581 ASP HB3 . 27034 1 1352 . 1 1 120 120 ASP C C 13 175.974 0.035 . 1 . . . . . 581 ASP C . 27034 1 1353 . 1 1 120 120 ASP CA C 13 54.627 0.037 . 1 . . . . . 581 ASP CA . 27034 1 1354 . 1 1 120 120 ASP CB C 13 41.042 0.030 . 1 . . . . . 581 ASP CB . 27034 1 1355 . 1 1 120 120 ASP N N 15 121.104 0.062 . 1 . . . . . 581 ASP N . 27034 1 1356 . 1 1 121 121 HIS H H 1 8.119 0.003 . 1 . . . . . 582 HIS H . 27034 1 1357 . 1 1 121 121 HIS HA H 1 4.510 0.006 . 1 . . . . . 582 HIS HA . 27034 1 1358 . 1 1 121 121 HIS HB2 H 1 3.074 0.000 . 2 . . . . . 582 HIS HB2 . 27034 1 1359 . 1 1 121 121 HIS HB3 H 1 3.014 0.000 . 2 . . . . . 582 HIS HB3 . 27034 1 1360 . 1 1 121 121 HIS HD2 H 1 7.019 0.006 . 1 . . . . . 582 HIS HD2 . 27034 1 1361 . 1 1 121 121 HIS HE1 H 1 7.877 0.000 . 1 . . . . . 582 HIS HE1 . 27034 1 1362 . 1 1 121 121 HIS C C 13 174.978 0.129 . 1 . . . . . 582 HIS C . 27034 1 1363 . 1 1 121 121 HIS CA C 13 56.193 0.100 . 1 . . . . . 582 HIS CA . 27034 1 1364 . 1 1 121 121 HIS CB C 13 30.352 0.034 . 1 . . . . . 582 HIS CB . 27034 1 1365 . 1 1 121 121 HIS CD2 C 13 120.073 0.000 . 1 . . . . . 582 HIS CD2 . 27034 1 1366 . 1 1 121 121 HIS CE1 C 13 138.410 0.000 . 1 . . . . . 582 HIS CE1 . 27034 1 1367 . 1 1 121 121 HIS N N 15 118.725 0.016 . 1 . . . . . 582 HIS N . 27034 1 1368 . 1 1 122 122 GLU H H 1 8.267 0.000 . 1 . . . . . 583 GLU H . 27034 1 1369 . 1 1 122 122 GLU HA H 1 4.177 0.006 . 1 . . . . . 583 GLU HA . 27034 1 1370 . 1 1 122 122 GLU HB2 H 1 1.907 0.000 . 2 . . . . . 583 GLU HB2 . 27034 1 1371 . 1 1 122 122 GLU HB3 H 1 1.907 0.000 . 2 . . . . . 583 GLU HB3 . 27034 1 1372 . 1 1 122 122 GLU HG2 H 1 2.111 0.000 . 2 . . . . . 583 GLU HG2 . 27034 1 1373 . 1 1 122 122 GLU HG3 H 1 2.111 0.000 . 2 . . . . . 583 GLU HG3 . 27034 1 1374 . 1 1 122 122 GLU C C 13 176.471 0.009 . 1 . . . . . 583 GLU C . 27034 1 1375 . 1 1 122 122 GLU CA C 13 56.504 0.018 . 1 . . . . . 583 GLU CA . 27034 1 1376 . 1 1 122 122 GLU CB C 13 30.406 0.099 . 1 . . . . . 583 GLU CB . 27034 1 1377 . 1 1 122 122 GLU CG C 13 36.441 0.000 . 1 . . . . . 583 GLU CG . 27034 1 1378 . 1 1 122 122 GLU N N 15 121.841 0.050 . 1 . . . . . 583 GLU N . 27034 1 1379 . 1 1 123 123 GLU H H 1 8.448 0.003 . 1 . . . . . 584 GLU H . 27034 1 1380 . 1 1 123 123 GLU HA H 1 4.172 0.008 . 1 . . . . . 584 GLU HA . 27034 1 1381 . 1 1 123 123 GLU HB2 H 1 1.935 0.001 . 2 . . . . . 584 GLU HB2 . 27034 1 1382 . 1 1 123 123 GLU HB3 H 1 1.935 0.001 . 2 . . . . . 584 GLU HB3 . 27034 1 1383 . 1 1 123 123 GLU HG2 H 1 2.194 0.003 . 2 . . . . . 584 GLU HG2 . 27034 1 1384 . 1 1 123 123 GLU HG3 H 1 2.194 0.003 . 2 . . . . . 584 GLU HG3 . 27034 1 1385 . 1 1 123 123 GLU C C 13 177.111 0.006 . 1 . . . . . 584 GLU C . 27034 1 1386 . 1 1 123 123 GLU CA C 13 56.933 0.112 . 1 . . . . . 584 GLU CA . 27034 1 1387 . 1 1 123 123 GLU CB C 13 30.106 0.045 . 1 . . . . . 584 GLU CB . 27034 1 1388 . 1 1 123 123 GLU CG C 13 36.317 0.017 . 1 . . . . . 584 GLU CG . 27034 1 1389 . 1 1 123 123 GLU N N 15 122.086 0.095 . 1 . . . . . 584 GLU N . 27034 1 1390 . 1 1 124 124 GLY H H 1 8.378 0.012 . 1 . . . . . 585 GLY H . 27034 1 1391 . 1 1 124 124 GLY HA2 H 1 3.835 0.014 . 2 . . . . . 585 GLY HA2 . 27034 1 1392 . 1 1 124 124 GLY HA3 H 1 3.835 0.014 . 2 . . . . . 585 GLY HA3 . 27034 1 1393 . 1 1 124 124 GLY C C 13 173.956 0.013 . 1 . . . . . 585 GLY C . 27034 1 1394 . 1 1 124 124 GLY CA C 13 45.294 0.020 . 1 . . . . . 585 GLY CA . 27034 1 1395 . 1 1 124 124 GLY N N 15 110.111 0.052 . 1 . . . . . 585 GLY N . 27034 1 1396 . 1 1 125 125 ALA H H 1 8.069 0.006 . 1 . . . . . 586 ALA H . 27034 1 1397 . 1 1 125 125 ALA HA H 1 4.229 0.007 . 1 . . . . . 586 ALA HA . 27034 1 1398 . 1 1 125 125 ALA HB1 H 1 1.282 0.016 . 1 . . . . . 586 ALA HB . 27034 1 1399 . 1 1 125 125 ALA HB2 H 1 1.282 0.016 . 1 . . . . . 586 ALA HB . 27034 1 1400 . 1 1 125 125 ALA HB3 H 1 1.282 0.016 . 1 . . . . . 586 ALA HB . 27034 1 1401 . 1 1 125 125 ALA C C 13 178.119 0.021 . 1 . . . . . 586 ALA C . 27034 1 1402 . 1 1 125 125 ALA CA C 13 52.536 0.086 . 1 . . . . . 586 ALA CA . 27034 1 1403 . 1 1 125 125 ALA CB C 13 19.295 0.051 . 1 . . . . . 586 ALA CB . 27034 1 1404 . 1 1 125 125 ALA N N 15 123.394 0.055 . 1 . . . . . 586 ALA N . 27034 1 1405 . 1 1 126 126 GLY H H 1 8.331 0.004 . 1 . . . . . 587 GLY H . 27034 1 1406 . 1 1 126 126 GLY HA2 H 1 3.838 0.007 . 2 . . . . . 587 GLY HA2 . 27034 1 1407 . 1 1 126 126 GLY HA3 H 1 3.838 0.007 . 2 . . . . . 587 GLY HA3 . 27034 1 1408 . 1 1 126 126 GLY C C 13 174.417 0.012 . 1 . . . . . 587 GLY C . 27034 1 1409 . 1 1 126 126 GLY CA C 13 45.298 0.025 . 1 . . . . . 587 GLY CA . 27034 1 1410 . 1 1 126 126 GLY N N 15 107.806 0.056 . 1 . . . . . 587 GLY N . 27034 1 1411 . 1 1 127 127 GLY H H 1 8.091 0.005 . 1 . . . . . 588 GLY H . 27034 1 1412 . 1 1 127 127 GLY HA2 H 1 3.796 0.008 . 2 . . . . . 588 GLY HA2 . 27034 1 1413 . 1 1 127 127 GLY HA3 H 1 3.796 0.008 . 2 . . . . . 588 GLY HA3 . 27034 1 1414 . 1 1 127 127 GLY C C 13 173.061 0.012 . 1 . . . . . 588 GLY C . 27034 1 1415 . 1 1 127 127 GLY CA C 13 45.217 0.039 . 1 . . . . . 588 GLY CA . 27034 1 1416 . 1 1 127 127 GLY N N 15 108.864 0.015 . 1 . . . . . 588 GLY N . 27034 1 1417 . 1 1 128 128 LEU H H 1 7.650 0.006 . 1 . . . . . 589 LEU H . 27034 1 1418 . 1 1 128 128 LEU HA H 1 4.097 0.006 . 1 . . . . . 589 LEU HA . 27034 1 1419 . 1 1 128 128 LEU HB2 H 1 1.487 0.003 . 2 . . . . . 589 LEU HB2 . 27034 1 1420 . 1 1 128 128 LEU HB3 H 1 1.487 0.003 . 2 . . . . . 589 LEU HB3 . 27034 1 1421 . 1 1 128 128 LEU HG H 1 1.495 0.003 . 1 . . . . . 589 LEU HG . 27034 1 1422 . 1 1 128 128 LEU HD11 H 1 0.807 0.001 . 2 . . . . . 589 LEU QD1 . 27034 1 1423 . 1 1 128 128 LEU HD12 H 1 0.807 0.001 . 2 . . . . . 589 LEU QD1 . 27034 1 1424 . 1 1 128 128 LEU HD13 H 1 0.807 0.001 . 2 . . . . . 589 LEU QD1 . 27034 1 1425 . 1 1 128 128 LEU HD21 H 1 0.769 0.001 . 2 . . . . . 589 LEU QD2 . 27034 1 1426 . 1 1 128 128 LEU HD22 H 1 0.769 0.001 . 2 . . . . . 589 LEU QD2 . 27034 1 1427 . 1 1 128 128 LEU HD23 H 1 0.769 0.001 . 2 . . . . . 589 LEU QD2 . 27034 1 1428 . 1 1 128 128 LEU C C 13 178.126 0.000 . 1 . . . . . 589 LEU C . 27034 1 1429 . 1 1 128 128 LEU CA C 13 56.668 0.025 . 1 . . . . . 589 LEU CA . 27034 1 1430 . 1 1 128 128 LEU CB C 13 43.329 0.038 . 1 . . . . . 589 LEU CB . 27034 1 1431 . 1 1 128 128 LEU CG C 13 27.186 0.037 . 1 . . . . . 589 LEU CG . 27034 1 1432 . 1 1 128 128 LEU CD1 C 13 25.252 0.044 . 1 . . . . . 589 LEU CD1 . 27034 1 1433 . 1 1 128 128 LEU CD2 C 13 23.570 0.035 . 1 . . . . . 589 LEU CD2 . 27034 1 1434 . 1 1 128 128 LEU N N 15 126.764 0.048 . 1 . . . . . 589 LEU N . 27034 1 stop_ save_