data_17989 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17989 _Entry.Title ; NMR resonance assignment of the UUP protein C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-11 _Entry.Accession_date 2011-10-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ludovic Carlier . . . 17989 2 Sander Haase . A.S. . 17989 3 Olivier Lequin . . . 17989 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universit Pierre et Marie Curie, UMR7203 CNRS-ENS-UPMC' . 17989 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17989 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 478 17989 '15N chemical shifts' 113 17989 '1H chemical shifts' 771 17989 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 . . 2013-02-04 2011-10-11 update BMRB 'update entry citation' 17989 1 . . 2012-01-31 2011-10-11 original author 'original release' 17989 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LW1 'BMRB Entry Tracking System' 17989 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17989 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22287065 _Citation.Full_citation . _Citation.Title 'Secondary structure and NMR resonance assignments of the C-terminal DNA-binding domain of Uup protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _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 197 _Citation.Page_last 200 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ludovic Carlier . . . 17989 1 2 'A. Sander' Haase . . . 17989 1 3 Monica 'Burgos Zepeda' . Y. . 17989 1 4 Elie Dassa . . . 17989 1 5 Olivier Lequin . . . 17989 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17989 _Assembly.ID 1 _Assembly.Name 'UUP protein C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12563 _Assembly.Enzyme_commission_number . _Assembly.Details 'Monomeric protein' _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 'UUP protein C-terminal domain' 1 $UUP A . yes native no no . . . 17989 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UUP _Entity.Sf_category entity _Entity.Sf_framecode UUP _Entity.Entry_ID 17989 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UUP _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 ; GSHMGQQEQYVALKQPAVKK TEEAAAAKAETVKRSSSKLS YKLQRELEQLPQLLEDLEAK LEALQTQVADASFFSQPHEQ TQKVLADMAAAEQELEQAFE RWEYLEALKNGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a non-native affinity tag. Gly-5 corresponds to Gly-528 in the native UUP protein sequence.' _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 112 _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 12563 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LW1 . "The C-Terminal Domain Of The Uup Protein Is A Dna-Binding Coiled Coil Motif" . . . . . 75.89 89 100.00 100.00 1.80e-50 . . . . 17989 1 2 no DBJ BAA35707 . "fused predicted transporter subunits and ATP-binding components of ABC superfamily [Escherichia coli str. K12 substr. W3110]" . . . . . 96.43 635 100.00 100.00 1.68e-61 . . . . 17989 1 3 no DBJ BAB34456 . "putative ATP-binding component of a transport system [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.43 635 97.22 97.22 1.93e-59 . . . . 17989 1 4 no DBJ BAG76534 . "putative ABC transporter ATP-binding component [Escherichia coli SE11]" . . . . . 96.43 635 100.00 100.00 1.67e-61 . . . . 17989 1 5 no DBJ BAI24392 . "fused predicted transporter subunits of ABC superfamily: ATP-binding components [Escherichia coli O26:H11 str. 11368]" . . . . . 96.43 635 100.00 100.00 1.67e-61 . . . . 17989 1 6 no DBJ BAI29842 . "fused predicted transporter subunits of ABC superfamily: ATP-binding components [Escherichia coli O103:H2 str. 12009]" . . . . . 96.43 635 99.07 99.07 4.55e-60 . . . . 17989 1 7 no EMBL CAA70589 . "UUP protein [Escherichia coli]" . . . . . 77.68 614 100.00 100.00 8.69e-46 . . . . 17989 1 8 no EMBL CAP75412 . "ABC transporter ATP-binding protein uup [Escherichia coli LF82]" . . . . . 96.43 635 98.15 99.07 2.98e-60 . . . . 17989 1 9 no EMBL CAQ31477 . "ATP-binding protein with possible role in replication [Escherichia coli BL21(DE3)]" . . . . . 96.43 635 100.00 100.00 1.68e-61 . . . . 17989 1 10 no EMBL CAQ88615 . "fused ATP-binding subunits of ABC superfamily protein involved in precise excision of transposons [Escherichia fergusonii ATCC " . . . . . 96.43 635 99.07 99.07 8.99e-61 . . . . 17989 1 11 no EMBL CAQ97854 . "fused ATP-binding subunits of ABC superfamily protein involved in precise excision of transposons [Escherichia coli IAI1]" . . . . . 96.43 635 100.00 100.00 1.67e-61 . . . . 17989 1 12 no GB AAC74035 . "replication regulatory ABC-F family DNA-binding ATPase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.43 635 100.00 100.00 1.68e-61 . . . . 17989 1 13 no GB AAG55435 . "putative ATP-binding component of a transport system [Escherichia coli O157:H7 str. EDL933]" . . . . . 96.43 635 97.22 97.22 1.85e-59 . . . . 17989 1 14 no GB AAN42579 . "putative ATP-binding component of a transport system [Shigella flexneri 2a str. 301]" . . . . . 96.43 635 98.15 99.07 3.41e-60 . . . . 17989 1 15 no GB AAN79553 . "ABC transporter ATP-binding protein uup [Escherichia coli CFT073]" . . . . . 96.43 635 98.15 99.07 3.37e-60 . . . . 17989 1 16 no GB AAP16463 . "putative ATP-binding component of a transport system [Shigella flexneri 2a str. 2457T]" . . . . . 96.43 635 98.15 99.07 3.41e-60 . . . . 17989 1 17 no REF NP_309060 . "ABC transporter ATPase [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.43 635 97.22 97.22 1.93e-59 . . . . 17989 1 18 no REF NP_415469 . "replication regulatory ABC-F family DNA-binding ATPase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.43 635 100.00 100.00 1.68e-61 . . . . 17989 1 19 no REF NP_706872 . "ABC transporter ATP-binding protein [Shigella flexneri 2a str. 301]" . . . . . 96.43 635 98.15 99.07 3.41e-60 . . . . 17989 1 20 no REF WP_000053029 . "ABC transporter ATP-binding protein [Shigella dysenteriae]" . . . . . 96.43 635 97.22 98.15 1.04e-59 . . . . 17989 1 21 no REF WP_000053031 . "ABC transporter ATP-binding protein [Escherichia coli]" . . . . . 96.43 635 100.00 100.00 1.99e-61 . . . . 17989 1 22 no SP P43672 . "RecName: Full=ABC transporter ATP-binding protein uup" . . . . . 96.43 635 100.00 100.00 1.68e-61 . . . . 17989 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17989 1 2 . SER . 17989 1 3 . HIS . 17989 1 4 . MET . 17989 1 5 528 GLY . 17989 1 6 529 GLN . 17989 1 7 530 GLN . 17989 1 8 531 GLU . 17989 1 9 532 GLN . 17989 1 10 533 TYR . 17989 1 11 534 VAL . 17989 1 12 535 ALA . 17989 1 13 536 LEU . 17989 1 14 537 LYS . 17989 1 15 538 GLN . 17989 1 16 539 PRO . 17989 1 17 540 ALA . 17989 1 18 541 VAL . 17989 1 19 542 LYS . 17989 1 20 543 LYS . 17989 1 21 544 THR . 17989 1 22 545 GLU . 17989 1 23 546 GLU . 17989 1 24 547 ALA . 17989 1 25 548 ALA . 17989 1 26 549 ALA . 17989 1 27 550 ALA . 17989 1 28 551 LYS . 17989 1 29 552 ALA . 17989 1 30 553 GLU . 17989 1 31 554 THR . 17989 1 32 555 VAL . 17989 1 33 556 LYS . 17989 1 34 557 ARG . 17989 1 35 558 SER . 17989 1 36 559 SER . 17989 1 37 560 SER . 17989 1 38 561 LYS . 17989 1 39 562 LEU . 17989 1 40 563 SER . 17989 1 41 564 TYR . 17989 1 42 565 LYS . 17989 1 43 566 LEU . 17989 1 44 567 GLN . 17989 1 45 568 ARG . 17989 1 46 569 GLU . 17989 1 47 570 LEU . 17989 1 48 571 GLU . 17989 1 49 572 GLN . 17989 1 50 573 LEU . 17989 1 51 574 PRO . 17989 1 52 575 GLN . 17989 1 53 576 LEU . 17989 1 54 577 LEU . 17989 1 55 578 GLU . 17989 1 56 579 ASP . 17989 1 57 580 LEU . 17989 1 58 581 GLU . 17989 1 59 582 ALA . 17989 1 60 583 LYS . 17989 1 61 584 LEU . 17989 1 62 585 GLU . 17989 1 63 586 ALA . 17989 1 64 587 LEU . 17989 1 65 588 GLN . 17989 1 66 589 THR . 17989 1 67 590 GLN . 17989 1 68 591 VAL . 17989 1 69 592 ALA . 17989 1 70 593 ASP . 17989 1 71 594 ALA . 17989 1 72 595 SER . 17989 1 73 596 PHE . 17989 1 74 597 PHE . 17989 1 75 598 SER . 17989 1 76 599 GLN . 17989 1 77 600 PRO . 17989 1 78 601 HIS . 17989 1 79 602 GLU . 17989 1 80 603 GLN . 17989 1 81 604 THR . 17989 1 82 605 GLN . 17989 1 83 606 LYS . 17989 1 84 607 VAL . 17989 1 85 608 LEU . 17989 1 86 609 ALA . 17989 1 87 610 ASP . 17989 1 88 611 MET . 17989 1 89 612 ALA . 17989 1 90 613 ALA . 17989 1 91 614 ALA . 17989 1 92 615 GLU . 17989 1 93 616 GLN . 17989 1 94 617 GLU . 17989 1 95 618 LEU . 17989 1 96 619 GLU . 17989 1 97 620 GLN . 17989 1 98 621 ALA . 17989 1 99 622 PHE . 17989 1 100 623 GLU . 17989 1 101 624 ARG . 17989 1 102 625 TRP . 17989 1 103 626 GLU . 17989 1 104 627 TYR . 17989 1 105 628 LEU . 17989 1 106 629 GLU . 17989 1 107 630 ALA . 17989 1 108 631 LEU . 17989 1 109 632 LYS . 17989 1 110 633 ASN . 17989 1 111 634 GLY . 17989 1 112 635 GLY . 17989 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 17989 1 . SER 2 2 17989 1 . HIS 3 3 17989 1 . MET 4 4 17989 1 . GLY 5 5 17989 1 . GLN 6 6 17989 1 . GLN 7 7 17989 1 . GLU 8 8 17989 1 . GLN 9 9 17989 1 . TYR 10 10 17989 1 . VAL 11 11 17989 1 . ALA 12 12 17989 1 . LEU 13 13 17989 1 . LYS 14 14 17989 1 . GLN 15 15 17989 1 . PRO 16 16 17989 1 . ALA 17 17 17989 1 . VAL 18 18 17989 1 . LYS 19 19 17989 1 . LYS 20 20 17989 1 . THR 21 21 17989 1 . GLU 22 22 17989 1 . GLU 23 23 17989 1 . ALA 24 24 17989 1 . ALA 25 25 17989 1 . ALA 26 26 17989 1 . ALA 27 27 17989 1 . LYS 28 28 17989 1 . ALA 29 29 17989 1 . GLU 30 30 17989 1 . THR 31 31 17989 1 . VAL 32 32 17989 1 . LYS 33 33 17989 1 . ARG 34 34 17989 1 . SER 35 35 17989 1 . SER 36 36 17989 1 . SER 37 37 17989 1 . LYS 38 38 17989 1 . LEU 39 39 17989 1 . SER 40 40 17989 1 . TYR 41 41 17989 1 . LYS 42 42 17989 1 . LEU 43 43 17989 1 . GLN 44 44 17989 1 . ARG 45 45 17989 1 . GLU 46 46 17989 1 . LEU 47 47 17989 1 . GLU 48 48 17989 1 . GLN 49 49 17989 1 . LEU 50 50 17989 1 . PRO 51 51 17989 1 . GLN 52 52 17989 1 . LEU 53 53 17989 1 . LEU 54 54 17989 1 . GLU 55 55 17989 1 . ASP 56 56 17989 1 . LEU 57 57 17989 1 . GLU 58 58 17989 1 . ALA 59 59 17989 1 . LYS 60 60 17989 1 . LEU 61 61 17989 1 . GLU 62 62 17989 1 . ALA 63 63 17989 1 . LEU 64 64 17989 1 . GLN 65 65 17989 1 . THR 66 66 17989 1 . GLN 67 67 17989 1 . VAL 68 68 17989 1 . ALA 69 69 17989 1 . ASP 70 70 17989 1 . ALA 71 71 17989 1 . SER 72 72 17989 1 . PHE 73 73 17989 1 . PHE 74 74 17989 1 . SER 75 75 17989 1 . GLN 76 76 17989 1 . PRO 77 77 17989 1 . HIS 78 78 17989 1 . GLU 79 79 17989 1 . GLN 80 80 17989 1 . THR 81 81 17989 1 . GLN 82 82 17989 1 . LYS 83 83 17989 1 . VAL 84 84 17989 1 . LEU 85 85 17989 1 . ALA 86 86 17989 1 . ASP 87 87 17989 1 . MET 88 88 17989 1 . ALA 89 89 17989 1 . ALA 90 90 17989 1 . ALA 91 91 17989 1 . GLU 92 92 17989 1 . GLN 93 93 17989 1 . GLU 94 94 17989 1 . LEU 95 95 17989 1 . GLU 96 96 17989 1 . GLN 97 97 17989 1 . ALA 98 98 17989 1 . PHE 99 99 17989 1 . GLU 100 100 17989 1 . ARG 101 101 17989 1 . TRP 102 102 17989 1 . GLU 103 103 17989 1 . TYR 104 104 17989 1 . LEU 105 105 17989 1 . GLU 106 106 17989 1 . ALA 107 107 17989 1 . LEU 108 108 17989 1 . LYS 109 109 17989 1 . ASN 110 110 17989 1 . GLY 111 111 17989 1 . GLY 112 112 17989 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 17989 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UUP . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17989 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 17989 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UUP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 pLysS' . . . . . . . . . . . . . . . pET-15b . . . . . . 17989 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17989 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UUP '[U-100% 15N]' . . 1 $UUP . . 0.7 . . mM . . . . 17989 1 2 'sodium chloride' 'natural abundance' . . . . . . 170 . . mM . . . . 17989 1 3 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 17989 1 4 DSS 'natural abundance' . . . . . . 0.111 . . mM . . . . 17989 1 5 leupeptine 'natural abundance' . . . . . . 1 . . uM . . . . 17989 1 6 pepstatine 'natural abundance' . . . . . . 1 . . uM . . . . 17989 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17989 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17989 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17989 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17989 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N/13C double labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UUP '[U-100% 13C; U-100% 15N]' . . 1 $UUP . . 0.9 . . mM . . . . 17989 2 2 'sodium chloride' 'natural abundance' . . . . . . 170 . . mM . . . . 17989 2 3 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 17989 2 4 DSS 'natural abundance' . . . . . . 0.111 . . mM . . . . 17989 2 5 leupeptine 'natural abundance' . . . . . . 1 . . uM . . . . 17989 2 6 'pepstatine A' 'natural abundance' . . . . . . 1 . . uM . . . . 17989 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17989 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17989 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17989 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17989 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N/13C double labeled sample in D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 UUP '[U-100% 13C; U-100% 15N]' . . 1 $UUP . . 0.8 . . mM . . . . 17989 3 2 'sodium chloride' 'natural abundance' . . . . . . 170 . . mM . . . . 17989 3 3 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 17989 3 4 leupeptine 'natural abundance' . . . . . . 1 . . uM . . . . 17989 3 5 'pepstatine A' 'natural abundance' . . . . . . 1 . . uM . . . . 17989 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17989 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17989 3 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 17989 _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 'ionic strength' 0.2 . M 17989 1 pH 7.0 . pH 17989 1 pressure 1 . atm 17989 1 temperature 303 . K 17989 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17989 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17989 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17989 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17989 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17989 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17989 2 collection 17989 2 'peak picking' 17989 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17989 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17989 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17989 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17989 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17989 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with a cryogenic probe' _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 17989 _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 III' . 500 'Equipped with a cryogenic probe' . . 17989 1 2 spectrometer_2 Bruker Avance . 800 'Equipped with a cryogenic probe' . . 17989 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 17989 _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 . . . . . . . . . . . . . . . . 17989 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 10 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17989 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17989 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17989 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17989 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 17989 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 17989 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 17989 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 17989 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 17989 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 17989 1 2 '3D 1H-15N TOCSY' . . . 17989 1 3 '2D 1H-15N HSQC' . . . 17989 1 4 '3D HNCO' . . . 17989 1 5 '3D HN(CA)CO' . . . 17989 1 6 '3D CBCA(CO)NH' . . . 17989 1 7 '3D HNCACB' . . . 17989 1 8 '3D HBHA(CO)NH' . . . 17989 1 9 '3D HCCH-TOCSY' . . . 17989 1 10 '3D C(CO)NH' . . . 17989 1 11 '3D H(CCO)NH' . . . 17989 1 12 '2D 1H-13C HSQC' . . . 17989 1 13 '3D 1H-15N NOESY' . . . 17989 1 14 '3D 1H-13C NOESY aliphatic' . . . 17989 1 15 '3D 1H-13C NOESY aromatic' . . . 17989 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 GLY H H 1 8.44 0.02 . 1 . . . . 528 GLY H . 17989 1 2 . 1 1 5 5 GLY HA2 H 1 3.97 0.02 . 1 . . . . 528 GLY HA2 . 17989 1 3 . 1 1 5 5 GLY HA3 H 1 3.97 0.02 . 1 . . . . 528 GLY HA3 . 17989 1 4 . 1 1 5 5 GLY C C 13 174.19 0.1 . 1 . . . . 528 GLY C . 17989 1 5 . 1 1 5 5 GLY CA C 13 45.39 0.1 . 1 . . . . 528 GLY CA . 17989 1 6 . 1 1 5 5 GLY N N 15 110.14 0.1 . 1 . . . . 528 GLY N . 17989 1 7 . 1 1 6 6 GLN H H 1 8.25 0.02 . 1 . . . . 529 GLN H . 17989 1 8 . 1 1 6 6 GLN HA H 1 4.33 0.02 . 1 . . . . 529 GLN HA . 17989 1 9 . 1 1 6 6 GLN HB2 H 1 2.12 0.02 . 2 . . . . 529 GLN HB2 . 17989 1 10 . 1 1 6 6 GLN HB3 H 1 1.99 0.02 . 2 . . . . 529 GLN HB3 . 17989 1 11 . 1 1 6 6 GLN HG2 H 1 2.35 0.02 . 1 . . . . 529 GLN HG2 . 17989 1 12 . 1 1 6 6 GLN HG3 H 1 2.35 0.02 . 1 . . . . 529 GLN HG3 . 17989 1 13 . 1 1 6 6 GLN C C 13 176.22 0.1 . 1 . . . . 529 GLN C . 17989 1 14 . 1 1 6 6 GLN CA C 13 56.17 0.1 . 1 . . . . 529 GLN CA . 17989 1 15 . 1 1 6 6 GLN CB C 13 29.41 0.1 . 1 . . . . 529 GLN CB . 17989 1 16 . 1 1 6 6 GLN CG C 13 33.82 0.1 . 1 . . . . 529 GLN CG . 17989 1 17 . 1 1 6 6 GLN N N 15 119.93 0.1 . 1 . . . . 529 GLN N . 17989 1 18 . 1 1 7 7 GLN H H 1 8.46 0.02 . 1 . . . . 530 GLN H . 17989 1 19 . 1 1 7 7 GLN HA H 1 4.30 0.02 . 1 . . . . 530 GLN HA . 17989 1 20 . 1 1 7 7 GLN HB2 H 1 2.11 0.02 . 2 . . . . 530 GLN HB2 . 17989 1 21 . 1 1 7 7 GLN HB3 H 1 1.99 0.02 . 2 . . . . 530 GLN HB3 . 17989 1 22 . 1 1 7 7 GLN HG2 H 1 2.37 0.02 . 1 . . . . 530 GLN HG2 . 17989 1 23 . 1 1 7 7 GLN HG3 H 1 2.37 0.02 . 1 . . . . 530 GLN HG3 . 17989 1 24 . 1 1 7 7 GLN C C 13 176.21 0.1 . 1 . . . . 530 GLN C . 17989 1 25 . 1 1 7 7 GLN CA C 13 56.37 0.1 . 1 . . . . 530 GLN CA . 17989 1 26 . 1 1 7 7 GLN CB C 13 29.38 0.1 . 1 . . . . 530 GLN CB . 17989 1 27 . 1 1 7 7 GLN CG C 13 33.86 0.1 . 1 . . . . 530 GLN CG . 17989 1 28 . 1 1 7 7 GLN N N 15 121.27 0.1 . 1 . . . . 530 GLN N . 17989 1 29 . 1 1 8 8 GLU H H 1 8.47 0.02 . 1 . . . . 531 GLU H . 17989 1 30 . 1 1 8 8 GLU HA H 1 4.21 0.02 . 1 . . . . 531 GLU HA . 17989 1 31 . 1 1 8 8 GLU HB2 H 1 2.02 0.02 . 2 . . . . 531 GLU HB2 . 17989 1 32 . 1 1 8 8 GLU HB3 H 1 1.92 0.02 . 2 . . . . 531 GLU HB3 . 17989 1 33 . 1 1 8 8 GLU HG2 H 1 2.24 0.02 . 1 . . . . 531 GLU HG2 . 17989 1 34 . 1 1 8 8 GLU HG3 H 1 2.24 0.02 . 1 . . . . 531 GLU HG3 . 17989 1 35 . 1 1 8 8 GLU C C 13 176.51 0.1 . 1 . . . . 531 GLU C . 17989 1 36 . 1 1 8 8 GLU CA C 13 57.10 0.1 . 1 . . . . 531 GLU CA . 17989 1 37 . 1 1 8 8 GLU CB C 13 30.09 0.1 . 1 . . . . 531 GLU CB . 17989 1 38 . 1 1 8 8 GLU CG C 13 36.32 0.1 . 1 . . . . 531 GLU CG . 17989 1 39 . 1 1 8 8 GLU N N 15 121.99 0.1 . 1 . . . . 531 GLU N . 17989 1 40 . 1 1 9 9 GLN H H 1 8.31 0.02 . 1 . . . . 532 GLN H . 17989 1 41 . 1 1 9 9 GLN HA H 1 4.24 0.02 . 1 . . . . 532 GLN HA . 17989 1 42 . 1 1 9 9 GLN HB2 H 1 1.91 0.02 . 2 . . . . 532 GLN HB2 . 17989 1 43 . 1 1 9 9 GLN HB3 H 1 1.99 0.02 . 2 . . . . 532 GLN HB3 . 17989 1 44 . 1 1 9 9 GLN HG2 H 1 2.23 0.02 . 1 . . . . 532 GLN HG2 . 17989 1 45 . 1 1 9 9 GLN HG3 H 1 2.23 0.02 . 1 . . . . 532 GLN HG3 . 17989 1 46 . 1 1 9 9 GLN C C 13 175.66 0.1 . 1 . . . . 532 GLN C . 17989 1 47 . 1 1 9 9 GLN CA C 13 56.07 0.1 . 1 . . . . 532 GLN CA . 17989 1 48 . 1 1 9 9 GLN CB C 13 29.45 0.1 . 1 . . . . 532 GLN CB . 17989 1 49 . 1 1 9 9 GLN CG C 13 33.68 0.1 . 1 . . . . 532 GLN CG . 17989 1 50 . 1 1 9 9 GLN N N 15 120.57 0.1 . 1 . . . . 532 GLN N . 17989 1 51 . 1 1 10 10 TYR H H 1 8.16 0.02 . 1 . . . . 533 TYR H . 17989 1 52 . 1 1 10 10 TYR HA H 1 4.55 0.02 . 1 . . . . 533 TYR HA . 17989 1 53 . 1 1 10 10 TYR HB2 H 1 2.96 0.02 . 2 . . . . 533 TYR HB2 . 17989 1 54 . 1 1 10 10 TYR HB3 H 1 3.04 0.02 . 2 . . . . 533 TYR HB3 . 17989 1 55 . 1 1 10 10 TYR C C 13 175.66 0.1 . 1 . . . . 533 TYR C . 17989 1 56 . 1 1 10 10 TYR CA C 13 58.19 0.1 . 1 . . . . 533 TYR CA . 17989 1 57 . 1 1 10 10 TYR CB C 13 38.64 0.1 . 1 . . . . 533 TYR CB . 17989 1 58 . 1 1 10 10 TYR N N 15 121.34 0.1 . 1 . . . . 533 TYR N . 17989 1 59 . 1 1 11 11 VAL H H 1 7.85 0.02 . 1 . . . . 534 VAL H . 17989 1 60 . 1 1 11 11 VAL HA H 1 3.98 0.02 . 1 . . . . 534 VAL HA . 17989 1 61 . 1 1 11 11 VAL HB H 1 1.97 0.02 . 1 . . . . 534 VAL HB . 17989 1 62 . 1 1 11 11 VAL HG11 H 1 0.89 0.02 . 1 . . . . 534 VAL MG1 . 17989 1 63 . 1 1 11 11 VAL HG12 H 1 0.89 0.02 . 1 . . . . 534 VAL MG1 . 17989 1 64 . 1 1 11 11 VAL HG13 H 1 0.89 0.02 . 1 . . . . 534 VAL MG1 . 17989 1 65 . 1 1 11 11 VAL HG21 H 1 0.89 0.02 . 1 . . . . 534 VAL MG2 . 17989 1 66 . 1 1 11 11 VAL HG22 H 1 0.89 0.02 . 1 . . . . 534 VAL MG2 . 17989 1 67 . 1 1 11 11 VAL HG23 H 1 0.89 0.02 . 1 . . . . 534 VAL MG2 . 17989 1 68 . 1 1 11 11 VAL C C 13 175.36 0.1 . 1 . . . . 534 VAL C . 17989 1 69 . 1 1 11 11 VAL CA C 13 62.35 0.1 . 1 . . . . 534 VAL CA . 17989 1 70 . 1 1 11 11 VAL CB C 13 32.89 0.1 . 1 . . . . 534 VAL CB . 17989 1 71 . 1 1 11 11 VAL CG1 C 13 20.53 0.1 . 2 . . . . 534 VAL CG1 . 17989 1 72 . 1 1 11 11 VAL CG2 C 13 20.94 0.1 . 2 . . . . 534 VAL CG2 . 17989 1 73 . 1 1 11 11 VAL N N 15 122.84 0.1 . 1 . . . . 534 VAL N . 17989 1 74 . 1 1 12 12 ALA H H 1 8.17 0.02 . 1 . . . . 535 ALA H . 17989 1 75 . 1 1 12 12 ALA HA H 1 4.23 0.02 . 1 . . . . 535 ALA HA . 17989 1 76 . 1 1 12 12 ALA HB1 H 1 1.37 0.02 . 1 . . . . 535 ALA MB . 17989 1 77 . 1 1 12 12 ALA HB2 H 1 1.37 0.02 . 1 . . . . 535 ALA MB . 17989 1 78 . 1 1 12 12 ALA HB3 H 1 1.37 0.02 . 1 . . . . 535 ALA MB . 17989 1 79 . 1 1 12 12 ALA C C 13 177.54 0.1 . 1 . . . . 535 ALA C . 17989 1 80 . 1 1 12 12 ALA CA C 13 52.48 0.1 . 1 . . . . 535 ALA CA . 17989 1 81 . 1 1 12 12 ALA CB C 13 19.10 0.1 . 1 . . . . 535 ALA CB . 17989 1 82 . 1 1 12 12 ALA N N 15 127.19 0.1 . 1 . . . . 535 ALA N . 17989 1 83 . 1 1 13 13 LEU H H 1 8.03 0.02 . 1 . . . . 536 LEU H . 17989 1 84 . 1 1 13 13 LEU HA H 1 4.29 0.02 . 1 . . . . 536 LEU HA . 17989 1 85 . 1 1 13 13 LEU HB2 H 1 1.56 0.02 . 2 . . . . 536 LEU HB2 . 17989 1 86 . 1 1 13 13 LEU HB3 H 1 1.62 0.02 . 2 . . . . 536 LEU HB3 . 17989 1 87 . 1 1 13 13 LEU HG H 1 1.58 0.02 . 1 . . . . 536 LEU HG . 17989 1 88 . 1 1 13 13 LEU HD11 H 1 0.89 0.02 . 1 . . . . 536 LEU MD1 . 17989 1 89 . 1 1 13 13 LEU HD12 H 1 0.89 0.02 . 1 . . . . 536 LEU MD1 . 17989 1 90 . 1 1 13 13 LEU HD13 H 1 0.89 0.02 . 1 . . . . 536 LEU MD1 . 17989 1 91 . 1 1 13 13 LEU HD21 H 1 0.89 0.02 . 1 . . . . 536 LEU MD2 . 17989 1 92 . 1 1 13 13 LEU HD22 H 1 0.89 0.02 . 1 . . . . 536 LEU MD2 . 17989 1 93 . 1 1 13 13 LEU HD23 H 1 0.89 0.02 . 1 . . . . 536 LEU MD2 . 17989 1 94 . 1 1 13 13 LEU C C 13 177.25 0.1 . 1 . . . . 536 LEU C . 17989 1 95 . 1 1 13 13 LEU CA C 13 55.16 0.1 . 1 . . . . 536 LEU CA . 17989 1 96 . 1 1 13 13 LEU CB C 13 42.46 0.1 . 1 . . . . 536 LEU CB . 17989 1 97 . 1 1 13 13 LEU CG C 13 26.92 0.1 . 1 . . . . 536 LEU CG . 17989 1 98 . 1 1 13 13 LEU CD1 C 13 24.84 0.1 . 2 . . . . 536 LEU CD1 . 17989 1 99 . 1 1 13 13 LEU CD2 C 13 23.55 0.1 . 2 . . . . 536 LEU CD2 . 17989 1 100 . 1 1 13 13 LEU N N 15 121.27 0.1 . 1 . . . . 536 LEU N . 17989 1 101 . 1 1 14 14 LYS H H 1 8.19 0.02 . 1 . . . . 537 LYS H . 17989 1 102 . 1 1 14 14 LYS HA H 1 4.29 0.02 . 1 . . . . 537 LYS HA . 17989 1 103 . 1 1 14 14 LYS HB2 H 1 1.79 0.02 . 2 . . . . 537 LYS HB2 . 17989 1 104 . 1 1 14 14 LYS HB3 H 1 1.74 0.02 . 2 . . . . 537 LYS HB3 . 17989 1 105 . 1 1 14 14 LYS HG2 H 1 1.39 0.02 . 1 . . . . 537 LYS HG2 . 17989 1 106 . 1 1 14 14 LYS HG3 H 1 1.39 0.02 . 1 . . . . 537 LYS HG3 . 17989 1 107 . 1 1 14 14 LYS HD2 H 1 1.69 0.02 . 1 . . . . 537 LYS HD2 . 17989 1 108 . 1 1 14 14 LYS HD3 H 1 1.69 0.02 . 1 . . . . 537 LYS HD3 . 17989 1 109 . 1 1 14 14 LYS HE2 H 1 2.98 0.02 . 1 . . . . 537 LYS HE2 . 17989 1 110 . 1 1 14 14 LYS HE3 H 1 2.98 0.02 . 1 . . . . 537 LYS HE3 . 17989 1 111 . 1 1 14 14 LYS C C 13 176.18 0.1 . 1 . . . . 537 LYS C . 17989 1 112 . 1 1 14 14 LYS CA C 13 56.11 0.1 . 1 . . . . 537 LYS CA . 17989 1 113 . 1 1 14 14 LYS CB C 13 32.96 0.1 . 1 . . . . 537 LYS CB . 17989 1 114 . 1 1 14 14 LYS CG C 13 24.71 0.1 . 1 . . . . 537 LYS CG . 17989 1 115 . 1 1 14 14 LYS CD C 13 29.01 0.1 . 1 . . . . 537 LYS CD . 17989 1 116 . 1 1 14 14 LYS CE C 13 42.24 0.1 . 1 . . . . 537 LYS CE . 17989 1 117 . 1 1 14 14 LYS N N 15 122.14 0.1 . 1 . . . . 537 LYS N . 17989 1 118 . 1 1 15 15 GLN H H 1 8.30 0.02 . 1 . . . . 538 GLN H . 17989 1 119 . 1 1 15 15 GLN HA H 1 4.33 0.02 . 1 . . . . 538 GLN HA . 17989 1 120 . 1 1 15 15 GLN HB2 H 1 1.92 0.02 . 2 . . . . 538 GLN HB2 . 17989 1 121 . 1 1 15 15 GLN HB3 H 1 2.12 0.02 . 2 . . . . 538 GLN HB3 . 17989 1 122 . 1 1 15 15 GLN HG2 H 1 2.37 0.02 . 1 . . . . 538 GLN HG2 . 17989 1 123 . 1 1 15 15 GLN HG3 H 1 2.37 0.02 . 1 . . . . 538 GLN HG3 . 17989 1 124 . 1 1 15 15 GLN C C 13 173.86 0.1 . 1 . . . . 538 GLN C . 17989 1 125 . 1 1 15 15 GLN CA C 13 53.69 0.1 . 1 . . . . 538 GLN CA . 17989 1 126 . 1 1 15 15 GLN CB C 13 28.96 0.1 . 1 . . . . 538 GLN CB . 17989 1 127 . 1 1 15 15 GLN N N 15 122.55 0.1 . 1 . . . . 538 GLN N . 17989 1 128 . 1 1 16 16 PRO HA H 1 4.39 0.02 . 1 . . . . 539 PRO HA . 17989 1 129 . 1 1 16 16 PRO HB2 H 1 2.29 0.02 . 2 . . . . 539 PRO HB2 . 17989 1 130 . 1 1 16 16 PRO HB3 H 1 1.89 0.02 . 2 . . . . 539 PRO HB3 . 17989 1 131 . 1 1 16 16 PRO HG2 H 1 1.97 0.02 . 2 . . . . 539 PRO HG2 . 17989 1 132 . 1 1 16 16 PRO HG3 H 1 2.04 0.02 . 2 . . . . 539 PRO HG3 . 17989 1 133 . 1 1 16 16 PRO HD2 H 1 3.66 0.02 . 2 . . . . 539 PRO HD2 . 17989 1 134 . 1 1 16 16 PRO HD3 H 1 3.73 0.02 . 2 . . . . 539 PRO HD3 . 17989 1 135 . 1 1 16 16 PRO C C 13 176.49 0.1 . 1 . . . . 539 PRO C . 17989 1 136 . 1 1 16 16 PRO CA C 13 63.17 0.1 . 1 . . . . 539 PRO CA . 17989 1 137 . 1 1 16 16 PRO CB C 13 32.03 0.1 . 1 . . . . 539 PRO CB . 17989 1 138 . 1 1 16 16 PRO CG C 13 27.29 0.1 . 1 . . . . 539 PRO CG . 17989 1 139 . 1 1 16 16 PRO CD C 13 50.77 0.1 . 1 . . . . 539 PRO CD . 17989 1 140 . 1 1 17 17 ALA H H 1 8.37 0.02 . 1 . . . . 540 ALA H . 17989 1 141 . 1 1 17 17 ALA HA H 1 4.31 0.02 . 1 . . . . 540 ALA HA . 17989 1 142 . 1 1 17 17 ALA HB1 H 1 1.37 0.02 . 1 . . . . 540 ALA MB . 17989 1 143 . 1 1 17 17 ALA HB2 H 1 1.37 0.02 . 1 . . . . 540 ALA MB . 17989 1 144 . 1 1 17 17 ALA HB3 H 1 1.37 0.02 . 1 . . . . 540 ALA MB . 17989 1 145 . 1 1 17 17 ALA C C 13 177.76 0.1 . 1 . . . . 540 ALA C . 17989 1 146 . 1 1 17 17 ALA CA C 13 52.48 0.1 . 1 . . . . 540 ALA CA . 17989 1 147 . 1 1 17 17 ALA CB C 13 19.25 0.1 . 1 . . . . 540 ALA CB . 17989 1 148 . 1 1 17 17 ALA N N 15 124.44 0.1 . 1 . . . . 540 ALA N . 17989 1 149 . 1 1 18 18 VAL H H 1 8.05 0.02 . 1 . . . . 541 VAL H . 17989 1 150 . 1 1 18 18 VAL HA H 1 4.07 0.02 . 1 . . . . 541 VAL HA . 17989 1 151 . 1 1 18 18 VAL HB H 1 2.03 0.02 . 1 . . . . 541 VAL HB . 17989 1 152 . 1 1 18 18 VAL HG11 H 1 0.93 0.02 . 1 . . . . 541 VAL MG1 . 17989 1 153 . 1 1 18 18 VAL HG12 H 1 0.93 0.02 . 1 . . . . 541 VAL MG1 . 17989 1 154 . 1 1 18 18 VAL HG13 H 1 0.93 0.02 . 1 . . . . 541 VAL MG1 . 17989 1 155 . 1 1 18 18 VAL HG21 H 1 0.93 0.02 . 1 . . . . 541 VAL MG2 . 17989 1 156 . 1 1 18 18 VAL HG22 H 1 0.93 0.02 . 1 . . . . 541 VAL MG2 . 17989 1 157 . 1 1 18 18 VAL HG23 H 1 0.93 0.02 . 1 . . . . 541 VAL MG2 . 17989 1 158 . 1 1 18 18 VAL C C 13 176.06 0.1 . 1 . . . . 541 VAL C . 17989 1 159 . 1 1 18 18 VAL CA C 13 62.25 0.1 . 1 . . . . 541 VAL CA . 17989 1 160 . 1 1 18 18 VAL CB C 13 32.83 0.1 . 1 . . . . 541 VAL CB . 17989 1 161 . 1 1 18 18 VAL CG1 C 13 20.84 0.1 . 2 . . . . 541 VAL CG1 . 17989 1 162 . 1 1 18 18 VAL CG2 C 13 21.08 0.1 . 2 . . . . 541 VAL CG2 . 17989 1 163 . 1 1 18 18 VAL N N 15 119.72 0.1 . 1 . . . . 541 VAL N . 17989 1 164 . 1 1 19 19 LYS H H 1 8.36 0.02 . 1 . . . . 542 LYS H . 17989 1 165 . 1 1 19 19 LYS HA H 1 4.32 0.02 . 1 . . . . 542 LYS HA . 17989 1 166 . 1 1 19 19 LYS HB2 H 1 1.81 0.02 . 2 . . . . 542 LYS HB2 . 17989 1 167 . 1 1 19 19 LYS HB3 H 1 1.77 0.02 . 2 . . . . 542 LYS HB3 . 17989 1 168 . 1 1 19 19 LYS HG2 H 1 1.42 0.02 . 1 . . . . 542 LYS HG2 . 17989 1 169 . 1 1 19 19 LYS HG3 H 1 1.42 0.02 . 1 . . . . 542 LYS HG3 . 17989 1 170 . 1 1 19 19 LYS HD2 H 1 1.72 0.02 . 1 . . . . 542 LYS HD2 . 17989 1 171 . 1 1 19 19 LYS HD3 H 1 1.72 0.02 . 1 . . . . 542 LYS HD3 . 17989 1 172 . 1 1 19 19 LYS HE2 H 1 2.99 0.02 . 1 . . . . 542 LYS HE2 . 17989 1 173 . 1 1 19 19 LYS HE3 H 1 2.99 0.02 . 1 . . . . 542 LYS HE3 . 17989 1 174 . 1 1 19 19 LYS C C 13 176.47 0.1 . 1 . . . . 542 LYS C . 17989 1 175 . 1 1 19 19 LYS CA C 13 56.29 0.1 . 1 . . . . 542 LYS CA . 17989 1 176 . 1 1 19 19 LYS CB C 13 33.06 0.1 . 1 . . . . 542 LYS CB . 17989 1 177 . 1 1 19 19 LYS CG C 13 24.70 0.1 . 1 . . . . 542 LYS CG . 17989 1 178 . 1 1 19 19 LYS CD C 13 29.05 0.1 . 1 . . . . 542 LYS CD . 17989 1 179 . 1 1 19 19 LYS CE C 13 42.17 0.1 . 1 . . . . 542 LYS CE . 17989 1 180 . 1 1 19 19 LYS N N 15 125.63 0.1 . 1 . . . . 542 LYS N . 17989 1 181 . 1 1 20 20 LYS H H 1 8.44 0.02 . 1 . . . . 543 LYS H . 17989 1 182 . 1 1 20 20 LYS HA H 1 4.36 0.02 . 1 . . . . 543 LYS HA . 17989 1 183 . 1 1 20 20 LYS HB2 H 1 1.85 0.02 . 2 . . . . 543 LYS HB2 . 17989 1 184 . 1 1 20 20 LYS HB3 H 1 1.71 0.02 . 2 . . . . 543 LYS HB3 . 17989 1 185 . 1 1 20 20 LYS HG2 H 1 1.44 0.02 . 2 . . . . 543 LYS HG2 . 17989 1 186 . 1 1 20 20 LYS HG3 H 1 1.41 0.02 . 2 . . . . 543 LYS HG3 . 17989 1 187 . 1 1 20 20 LYS HD2 H 1 1.71 0.02 . 1 . . . . 543 LYS HD2 . 17989 1 188 . 1 1 20 20 LYS HD3 H 1 1.71 0.02 . 1 . . . . 543 LYS HD3 . 17989 1 189 . 1 1 20 20 LYS HE2 H 1 3.00 0.02 . 1 . . . . 543 LYS HE2 . 17989 1 190 . 1 1 20 20 LYS HE3 H 1 3.00 0.02 . 1 . . . . 543 LYS HE3 . 17989 1 191 . 1 1 20 20 LYS C C 13 176.96 0.1 . 1 . . . . 543 LYS C . 17989 1 192 . 1 1 20 20 LYS CA C 13 56.44 0.1 . 1 . . . . 543 LYS CA . 17989 1 193 . 1 1 20 20 LYS CB C 13 33.07 0.1 . 1 . . . . 543 LYS CB . 17989 1 194 . 1 1 20 20 LYS CG C 13 24.70 0.1 . 1 . . . . 543 LYS CG . 17989 1 195 . 1 1 20 20 LYS CD C 13 29.07 0.1 . 1 . . . . 543 LYS CD . 17989 1 196 . 1 1 20 20 LYS CE C 13 42.19 0.1 . 1 . . . . 543 LYS CE . 17989 1 197 . 1 1 20 20 LYS N N 15 123.73 0.1 . 1 . . . . 543 LYS N . 17989 1 198 . 1 1 21 21 THR H H 1 8.18 0.02 . 1 . . . . 544 THR H . 17989 1 199 . 1 1 21 21 THR HA H 1 4.25 0.02 . 1 . . . . 544 THR HA . 17989 1 200 . 1 1 21 21 THR HB H 1 4.21 0.02 . 1 . . . . 544 THR HB . 17989 1 201 . 1 1 21 21 THR HG21 H 1 1.20 0.02 . 1 . . . . 544 THR MG . 17989 1 202 . 1 1 21 21 THR HG22 H 1 1.20 0.02 . 1 . . . . 544 THR MG . 17989 1 203 . 1 1 21 21 THR HG23 H 1 1.20 0.02 . 1 . . . . 544 THR MG . 17989 1 204 . 1 1 21 21 THR C C 13 174.78 0.1 . 1 . . . . 544 THR C . 17989 1 205 . 1 1 21 21 THR CA C 13 62.36 0.1 . 1 . . . . 544 THR CA . 17989 1 206 . 1 1 21 21 THR CB C 13 69.77 0.1 . 1 . . . . 544 THR CB . 17989 1 207 . 1 1 21 21 THR CG2 C 13 21.69 0.1 . 1 . . . . 544 THR CG2 . 17989 1 208 . 1 1 21 21 THR N N 15 115.90 0.1 . 1 . . . . 544 THR N . 17989 1 209 . 1 1 22 22 GLU H H 1 8.48 0.02 . 1 . . . . 545 GLU H . 17989 1 210 . 1 1 22 22 GLU HA H 1 4.31 0.02 . 1 . . . . 545 GLU HA . 17989 1 211 . 1 1 22 22 GLU HB2 H 1 1.97 0.02 . 2 . . . . 545 GLU HB2 . 17989 1 212 . 1 1 22 22 GLU HB3 H 1 2.03 0.02 . 2 . . . . 545 GLU HB3 . 17989 1 213 . 1 1 22 22 GLU HG2 H 1 2.27 0.02 . 1 . . . . 545 GLU HG2 . 17989 1 214 . 1 1 22 22 GLU HG3 H 1 2.27 0.02 . 1 . . . . 545 GLU HG3 . 17989 1 215 . 1 1 22 22 GLU C C 13 176.79 0.1 . 1 . . . . 545 GLU C . 17989 1 216 . 1 1 22 22 GLU CA C 13 56.89 0.1 . 1 . . . . 545 GLU CA . 17989 1 217 . 1 1 22 22 GLU CB C 13 30.23 0.1 . 1 . . . . 545 GLU CB . 17989 1 218 . 1 1 22 22 GLU CG C 13 36.29 0.1 . 1 . . . . 545 GLU CG . 17989 1 219 . 1 1 22 22 GLU N N 15 123.17 0.1 . 1 . . . . 545 GLU N . 17989 1 220 . 1 1 23 23 GLU H H 1 8.39 0.02 . 1 . . . . 546 GLU H . 17989 1 221 . 1 1 23 23 GLU HA H 1 4.22 0.02 . 1 . . . . 546 GLU HA . 17989 1 222 . 1 1 23 23 GLU HB2 H 1 2.03 0.02 . 2 . . . . 546 GLU HB2 . 17989 1 223 . 1 1 23 23 GLU HB3 H 1 1.97 0.02 . 2 . . . . 546 GLU HB3 . 17989 1 224 . 1 1 23 23 GLU HG2 H 1 2.28 0.02 . 1 . . . . 546 GLU HG2 . 17989 1 225 . 1 1 23 23 GLU HG3 H 1 2.28 0.02 . 1 . . . . 546 GLU HG3 . 17989 1 226 . 1 1 23 23 GLU C C 13 176.75 0.1 . 1 . . . . 546 GLU C . 17989 1 227 . 1 1 23 23 GLU CA C 13 57.05 0.1 . 1 . . . . 546 GLU CA . 17989 1 228 . 1 1 23 23 GLU CB C 13 30.25 0.1 . 1 . . . . 546 GLU CB . 17989 1 229 . 1 1 23 23 GLU CG C 13 36.34 0.1 . 1 . . . . 546 GLU CG . 17989 1 230 . 1 1 23 23 GLU N N 15 122.22 0.1 . 1 . . . . 546 GLU N . 17989 1 231 . 1 1 24 24 ALA H H 1 8.30 0.02 . 1 . . . . 547 ALA H . 17989 1 232 . 1 1 24 24 ALA HA H 1 4.27 0.02 . 1 . . . . 547 ALA HA . 17989 1 233 . 1 1 24 24 ALA HB1 H 1 1.41 0.02 . 1 . . . . 547 ALA MB . 17989 1 234 . 1 1 24 24 ALA HB2 H 1 1.41 0.02 . 1 . . . . 547 ALA MB . 17989 1 235 . 1 1 24 24 ALA HB3 H 1 1.41 0.02 . 1 . . . . 547 ALA MB . 17989 1 236 . 1 1 24 24 ALA C C 13 178.02 0.1 . 1 . . . . 547 ALA C . 17989 1 237 . 1 1 24 24 ALA CA C 13 52.94 0.1 . 1 . . . . 547 ALA CA . 17989 1 238 . 1 1 24 24 ALA CB C 13 19.00 0.1 . 1 . . . . 547 ALA CB . 17989 1 239 . 1 1 24 24 ALA N N 15 124.90 0.1 . 1 . . . . 547 ALA N . 17989 1 240 . 1 1 25 25 ALA H H 1 8.17 0.02 . 1 . . . . 548 ALA H . 17989 1 241 . 1 1 25 25 ALA HA H 1 4.21 0.02 . 1 . . . . 548 ALA HA . 17989 1 242 . 1 1 25 25 ALA HB1 H 1 1.41 0.02 . 1 . . . . 548 ALA MB . 17989 1 243 . 1 1 25 25 ALA HB2 H 1 1.41 0.02 . 1 . . . . 548 ALA MB . 17989 1 244 . 1 1 25 25 ALA HB3 H 1 1.41 0.02 . 1 . . . . 548 ALA MB . 17989 1 245 . 1 1 25 25 ALA C C 13 178.09 0.1 . 1 . . . . 548 ALA C . 17989 1 246 . 1 1 25 25 ALA CA C 13 52.83 0.1 . 1 . . . . 548 ALA CA . 17989 1 247 . 1 1 25 25 ALA CB C 13 19.12 0.1 . 1 . . . . 548 ALA CB . 17989 1 248 . 1 1 25 25 ALA N N 15 122.82 0.1 . 1 . . . . 548 ALA N . 17989 1 249 . 1 1 26 26 ALA H H 1 8.10 0.02 . 1 . . . . 549 ALA H . 17989 1 250 . 1 1 26 26 ALA HA H 1 4.28 0.02 . 1 . . . . 549 ALA HA . 17989 1 251 . 1 1 26 26 ALA HB1 H 1 1.41 0.02 . 1 . . . . 549 ALA MB . 17989 1 252 . 1 1 26 26 ALA HB2 H 1 1.41 0.02 . 1 . . . . 549 ALA MB . 17989 1 253 . 1 1 26 26 ALA HB3 H 1 1.41 0.02 . 1 . . . . 549 ALA MB . 17989 1 254 . 1 1 26 26 ALA C C 13 177.91 0.1 . 1 . . . . 549 ALA C . 17989 1 255 . 1 1 26 26 ALA CA C 13 52.84 0.1 . 1 . . . . 549 ALA CA . 17989 1 256 . 1 1 26 26 ALA CB C 13 18.97 0.1 . 1 . . . . 549 ALA CB . 17989 1 257 . 1 1 26 26 ALA N N 15 122.68 0.1 . 1 . . . . 549 ALA N . 17989 1 258 . 1 1 27 27 ALA H H 1 8.08 0.02 . 1 . . . . 550 ALA H . 17989 1 259 . 1 1 27 27 ALA HA H 1 4.27 0.02 . 1 . . . . 550 ALA HA . 17989 1 260 . 1 1 27 27 ALA HB1 H 1 1.40 0.02 . 1 . . . . 550 ALA MB . 17989 1 261 . 1 1 27 27 ALA HB2 H 1 1.40 0.02 . 1 . . . . 550 ALA MB . 17989 1 262 . 1 1 27 27 ALA HB3 H 1 1.40 0.02 . 1 . . . . 550 ALA MB . 17989 1 263 . 1 1 27 27 ALA C C 13 178.10 0.1 . 1 . . . . 550 ALA C . 17989 1 264 . 1 1 27 27 ALA CA C 13 52.75 0.1 . 1 . . . . 550 ALA CA . 17989 1 265 . 1 1 27 27 ALA CB C 13 19.09 0.1 . 1 . . . . 550 ALA CB . 17989 1 266 . 1 1 27 27 ALA N N 15 122.67 0.1 . 1 . . . . 550 ALA N . 17989 1 267 . 1 1 28 28 LYS H H 1 8.12 0.02 . 1 . . . . 551 LYS H . 17989 1 268 . 1 1 28 28 LYS HA H 1 4.28 0.02 . 1 . . . . 551 LYS HA . 17989 1 269 . 1 1 28 28 LYS HB2 H 1 1.77 0.02 . 2 . . . . 551 LYS HB2 . 17989 1 270 . 1 1 28 28 LYS HB3 H 1 1.84 0.02 . 2 . . . . 551 LYS HB3 . 17989 1 271 . 1 1 28 28 LYS HG2 H 1 1.43 0.02 . 2 . . . . 551 LYS HG2 . 17989 1 272 . 1 1 28 28 LYS HG3 H 1 1.47 0.02 . 2 . . . . 551 LYS HG3 . 17989 1 273 . 1 1 28 28 LYS HD2 H 1 1.69 0.02 . 1 . . . . 551 LYS HD2 . 17989 1 274 . 1 1 28 28 LYS HD3 H 1 1.69 0.02 . 1 . . . . 551 LYS HD3 . 17989 1 275 . 1 1 28 28 LYS HE2 H 1 2.99 0.02 . 1 . . . . 551 LYS HE2 . 17989 1 276 . 1 1 28 28 LYS HE3 H 1 2.99 0.02 . 1 . . . . 551 LYS HE3 . 17989 1 277 . 1 1 28 28 LYS C C 13 176.62 0.1 . 1 . . . . 551 LYS C . 17989 1 278 . 1 1 28 28 LYS CA C 13 56.48 0.1 . 1 . . . . 551 LYS CA . 17989 1 279 . 1 1 28 28 LYS CB C 13 32.98 0.1 . 1 . . . . 551 LYS CB . 17989 1 280 . 1 1 28 28 LYS CG C 13 24.67 0.1 . 1 . . . . 551 LYS CG . 17989 1 281 . 1 1 28 28 LYS CD C 13 29.11 0.1 . 1 . . . . 551 LYS CD . 17989 1 282 . 1 1 28 28 LYS CE C 13 42.16 0.1 . 1 . . . . 551 LYS CE . 17989 1 283 . 1 1 28 28 LYS N N 15 120.32 0.1 . 1 . . . . 551 LYS N . 17989 1 284 . 1 1 29 29 ALA H H 1 8.21 0.02 . 1 . . . . 552 ALA H . 17989 1 285 . 1 1 29 29 ALA HA H 1 4.28 0.02 . 1 . . . . 552 ALA HA . 17989 1 286 . 1 1 29 29 ALA HB1 H 1 1.39 0.02 . 1 . . . . 552 ALA MB . 17989 1 287 . 1 1 29 29 ALA HB2 H 1 1.39 0.02 . 1 . . . . 552 ALA MB . 17989 1 288 . 1 1 29 29 ALA HB3 H 1 1.39 0.02 . 1 . . . . 552 ALA MB . 17989 1 289 . 1 1 29 29 ALA C C 13 177.97 0.1 . 1 . . . . 552 ALA C . 17989 1 290 . 1 1 29 29 ALA CA C 13 52.81 0.1 . 1 . . . . 552 ALA CA . 17989 1 291 . 1 1 29 29 ALA CB C 13 19.18 0.1 . 1 . . . . 552 ALA CB . 17989 1 292 . 1 1 29 29 ALA N N 15 124.84 0.1 . 1 . . . . 552 ALA N . 17989 1 293 . 1 1 30 30 GLU H H 1 8.35 0.02 . 1 . . . . 553 GLU H . 17989 1 294 . 1 1 30 30 GLU HA H 1 4.31 0.02 . 1 . . . . 553 GLU HA . 17989 1 295 . 1 1 30 30 GLU HB2 H 1 2.06 0.02 . 2 . . . . 553 GLU HB2 . 17989 1 296 . 1 1 30 30 GLU HB3 H 1 1.96 0.02 . 2 . . . . 553 GLU HB3 . 17989 1 297 . 1 1 30 30 GLU HG2 H 1 2.27 0.02 . 1 . . . . 553 GLU HG2 . 17989 1 298 . 1 1 30 30 GLU HG3 H 1 2.27 0.02 . 1 . . . . 553 GLU HG3 . 17989 1 299 . 1 1 30 30 GLU C C 13 176.91 0.1 . 1 . . . . 553 GLU C . 17989 1 300 . 1 1 30 30 GLU CA C 13 56.83 0.1 . 1 . . . . 553 GLU CA . 17989 1 301 . 1 1 30 30 GLU CB C 13 30.32 0.1 . 1 . . . . 553 GLU CB . 17989 1 302 . 1 1 30 30 GLU CG C 13 36.37 0.1 . 1 . . . . 553 GLU CG . 17989 1 303 . 1 1 30 30 GLU N N 15 119.92 0.1 . 1 . . . . 553 GLU N . 17989 1 304 . 1 1 31 31 THR H H 1 8.16 0.02 . 1 . . . . 554 THR H . 17989 1 305 . 1 1 31 31 THR HA H 1 4.30 0.02 . 1 . . . . 554 THR HA . 17989 1 306 . 1 1 31 31 THR HB H 1 4.19 0.02 . 1 . . . . 554 THR HB . 17989 1 307 . 1 1 31 31 THR HG21 H 1 1.22 0.02 . 1 . . . . 554 THR MG . 17989 1 308 . 1 1 31 31 THR HG22 H 1 1.22 0.02 . 1 . . . . 554 THR MG . 17989 1 309 . 1 1 31 31 THR HG23 H 1 1.22 0.02 . 1 . . . . 554 THR MG . 17989 1 310 . 1 1 31 31 THR C C 13 174.75 0.1 . 1 . . . . 554 THR C . 17989 1 311 . 1 1 31 31 THR CA C 13 62.54 0.1 . 1 . . . . 554 THR CA . 17989 1 312 . 1 1 31 31 THR CB C 13 69.78 0.1 . 1 . . . . 554 THR CB . 17989 1 313 . 1 1 31 31 THR CG2 C 13 21.73 0.1 . 1 . . . . 554 THR CG2 . 17989 1 314 . 1 1 31 31 THR N N 15 115.49 0.1 . 1 . . . . 554 THR N . 17989 1 315 . 1 1 32 32 VAL H H 1 8.05 0.02 . 1 . . . . 555 VAL H . 17989 1 316 . 1 1 32 32 VAL HA H 1 4.08 0.02 . 1 . . . . 555 VAL HA . 17989 1 317 . 1 1 32 32 VAL HB H 1 2.06 0.02 . 1 . . . . 555 VAL HB . 17989 1 318 . 1 1 32 32 VAL HG11 H 1 0.92 0.02 . 2 . . . . 555 VAL MG1 . 17989 1 319 . 1 1 32 32 VAL HG12 H 1 0.92 0.02 . 2 . . . . 555 VAL MG1 . 17989 1 320 . 1 1 32 32 VAL HG13 H 1 0.92 0.02 . 2 . . . . 555 VAL MG1 . 17989 1 321 . 1 1 32 32 VAL HG21 H 1 0.93 0.02 . 2 . . . . 555 VAL MG2 . 17989 1 322 . 1 1 32 32 VAL HG22 H 1 0.93 0.02 . 2 . . . . 555 VAL MG2 . 17989 1 323 . 1 1 32 32 VAL HG23 H 1 0.93 0.02 . 2 . . . . 555 VAL MG2 . 17989 1 324 . 1 1 32 32 VAL C C 13 176.08 0.1 . 1 . . . . 555 VAL C . 17989 1 325 . 1 1 32 32 VAL CA C 13 62.67 0.1 . 1 . . . . 555 VAL CA . 17989 1 326 . 1 1 32 32 VAL CB C 13 32.63 0.1 . 1 . . . . 555 VAL CB . 17989 1 327 . 1 1 32 32 VAL CG1 C 13 20.96 0.1 . 2 . . . . 555 VAL CG1 . 17989 1 328 . 1 1 32 32 VAL CG2 C 13 20.74 0.1 . 2 . . . . 555 VAL CG2 . 17989 1 329 . 1 1 32 32 VAL N N 15 122.78 0.1 . 1 . . . . 555 VAL N . 17989 1 330 . 1 1 33 33 LYS H H 1 8.33 0.02 . 1 . . . . 556 LYS H . 17989 1 331 . 1 1 33 33 LYS HA H 1 4.32 0.02 . 1 . . . . 556 LYS HA . 17989 1 332 . 1 1 33 33 LYS HB2 H 1 1.89 0.02 . 2 . . . . 556 LYS HB2 . 17989 1 333 . 1 1 33 33 LYS HB3 H 1 1.75 0.02 . 2 . . . . 556 LYS HB3 . 17989 1 334 . 1 1 33 33 LYS HG2 H 1 1.48 0.02 . 2 . . . . 556 LYS HG2 . 17989 1 335 . 1 1 33 33 LYS HG3 H 1 1.41 0.02 . 2 . . . . 556 LYS HG3 . 17989 1 336 . 1 1 33 33 LYS HD2 H 1 1.68 0.02 . 1 . . . . 556 LYS HD2 . 17989 1 337 . 1 1 33 33 LYS HD3 H 1 1.68 0.02 . 1 . . . . 556 LYS HD3 . 17989 1 338 . 1 1 33 33 LYS HE2 H 1 2.98 0.02 . 1 . . . . 556 LYS HE2 . 17989 1 339 . 1 1 33 33 LYS HE3 H 1 2.98 0.02 . 1 . . . . 556 LYS HE3 . 17989 1 340 . 1 1 33 33 LYS C C 13 176.56 0.1 . 1 . . . . 556 LYS C . 17989 1 341 . 1 1 33 33 LYS CA C 13 56.42 0.1 . 1 . . . . 556 LYS CA . 17989 1 342 . 1 1 33 33 LYS CB C 13 32.89 0.1 . 1 . . . . 556 LYS CB . 17989 1 343 . 1 1 33 33 LYS CG C 13 24.93 0.1 . 1 . . . . 556 LYS CG . 17989 1 344 . 1 1 33 33 LYS CD C 13 28.97 0.1 . 1 . . . . 556 LYS CD . 17989 1 345 . 1 1 33 33 LYS CE C 13 41.95 0.1 . 1 . . . . 556 LYS CE . 17989 1 346 . 1 1 33 33 LYS N N 15 125.35 0.1 . 1 . . . . 556 LYS N . 17989 1 347 . 1 1 34 34 ARG H H 1 8.38 0.02 . 1 . . . . 557 ARG H . 17989 1 348 . 1 1 34 34 ARG HA H 1 4.39 0.02 . 1 . . . . 557 ARG HA . 17989 1 349 . 1 1 34 34 ARG HB2 H 1 1.87 0.02 . 2 . . . . 557 ARG HB2 . 17989 1 350 . 1 1 34 34 ARG HB3 H 1 1.78 0.02 . 2 . . . . 557 ARG HB3 . 17989 1 351 . 1 1 34 34 ARG HG2 H 1 1.64 0.02 . 1 . . . . 557 ARG HG2 . 17989 1 352 . 1 1 34 34 ARG HG3 H 1 1.64 0.02 . 1 . . . . 557 ARG HG3 . 17989 1 353 . 1 1 34 34 ARG HD2 H 1 3.18 0.02 . 1 . . . . 557 ARG HD2 . 17989 1 354 . 1 1 34 34 ARG HD3 H 1 3.18 0.02 . 1 . . . . 557 ARG HD3 . 17989 1 355 . 1 1 34 34 ARG C C 13 176.46 0.1 . 1 . . . . 557 ARG C . 17989 1 356 . 1 1 34 34 ARG CA C 13 56.22 0.1 . 1 . . . . 557 ARG CA . 17989 1 357 . 1 1 34 34 ARG CB C 13 31.08 0.1 . 1 . . . . 557 ARG CB . 17989 1 358 . 1 1 34 34 ARG CG C 13 27.36 0.1 . 1 . . . . 557 ARG CG . 17989 1 359 . 1 1 34 34 ARG CD C 13 43.21 0.1 . 1 . . . . 557 ARG CD . 17989 1 360 . 1 1 34 34 ARG N N 15 122.85 0.1 . 1 . . . . 557 ARG N . 17989 1 361 . 1 1 35 35 SER H H 1 8.42 0.02 . 1 . . . . 558 SER H . 17989 1 362 . 1 1 35 35 SER HA H 1 4.47 0.02 . 1 . . . . 558 SER HA . 17989 1 363 . 1 1 35 35 SER HB2 H 1 3.83 0.02 . 1 . . . . 558 SER HB2 . 17989 1 364 . 1 1 35 35 SER HB3 H 1 3.83 0.02 . 1 . . . . 558 SER HB3 . 17989 1 365 . 1 1 35 35 SER CA C 13 58.43 0.1 . 1 . . . . 558 SER CA . 17989 1 366 . 1 1 35 35 SER CB C 13 64.05 0.1 . 1 . . . . 558 SER CB . 17989 1 367 . 1 1 35 35 SER N N 15 117.30 0.1 . 1 . . . . 558 SER N . 17989 1 368 . 1 1 36 36 SER HA H 1 4.51 0.02 . 1 . . . . 559 SER HA . 17989 1 369 . 1 1 36 36 SER HB2 H 1 3.86 0.02 . 1 . . . . 559 SER HB2 . 17989 1 370 . 1 1 36 36 SER HB3 H 1 3.86 0.02 . 1 . . . . 559 SER HB3 . 17989 1 371 . 1 1 36 36 SER C C 13 174.48 0.1 . 1 . . . . 559 SER C . 17989 1 372 . 1 1 36 36 SER CA C 13 58.53 0.1 . 1 . . . . 559 SER CA . 17989 1 373 . 1 1 36 36 SER CB C 13 64.02 0.1 . 1 . . . . 559 SER CB . 17989 1 374 . 1 1 37 37 SER H H 1 8.35 0.02 . 1 . . . . 560 SER H . 17989 1 375 . 1 1 37 37 SER HA H 1 4.49 0.02 . 1 . . . . 560 SER HA . 17989 1 376 . 1 1 37 37 SER HB2 H 1 3.92 0.02 . 1 . . . . 560 SER HB2 . 17989 1 377 . 1 1 37 37 SER HB3 H 1 3.92 0.02 . 1 . . . . 560 SER HB3 . 17989 1 378 . 1 1 37 37 SER C C 13 174.74 0.1 . 1 . . . . 560 SER C . 17989 1 379 . 1 1 37 37 SER CA C 13 58.41 0.1 . 1 . . . . 560 SER CA . 17989 1 380 . 1 1 37 37 SER CB C 13 64.00 0.1 . 1 . . . . 560 SER CB . 17989 1 381 . 1 1 37 37 SER N N 15 117.59 0.1 . 1 . . . . 560 SER N . 17989 1 382 . 1 1 38 38 LYS H H 1 8.34 0.02 . 1 . . . . 561 LYS H . 17989 1 383 . 1 1 38 38 LYS HA H 1 4.29 0.02 . 1 . . . . 561 LYS HA . 17989 1 384 . 1 1 38 38 LYS HB2 H 1 1.83 0.02 . 2 . . . . 561 LYS HB2 . 17989 1 385 . 1 1 38 38 LYS HB3 H 1 1.75 0.02 . 2 . . . . 561 LYS HB3 . 17989 1 386 . 1 1 38 38 LYS HG2 H 1 1.56 0.02 . 2 . . . . 561 LYS HG2 . 17989 1 387 . 1 1 38 38 LYS HG3 H 1 1.48 0.02 . 2 . . . . 561 LYS HG3 . 17989 1 388 . 1 1 38 38 LYS HD2 H 1 1.68 0.02 . 1 . . . . 561 LYS HD2 . 17989 1 389 . 1 1 38 38 LYS HD3 H 1 1.68 0.02 . 1 . . . . 561 LYS HD3 . 17989 1 390 . 1 1 38 38 LYS HE2 H 1 2.98 0.02 . 1 . . . . 561 LYS HE2 . 17989 1 391 . 1 1 38 38 LYS HE3 H 1 2.98 0.02 . 1 . . . . 561 LYS HE3 . 17989 1 392 . 1 1 38 38 LYS C C 13 176.53 0.1 . 1 . . . . 561 LYS C . 17989 1 393 . 1 1 38 38 LYS CA C 13 56.39 0.1 . 1 . . . . 561 LYS CA . 17989 1 394 . 1 1 38 38 LYS CB C 13 32.75 0.1 . 1 . . . . 561 LYS CB . 17989 1 395 . 1 1 38 38 LYS CG C 13 24.91 0.1 . 1 . . . . 561 LYS CG . 17989 1 396 . 1 1 38 38 LYS CD C 13 28.95 0.1 . 1 . . . . 561 LYS CD . 17989 1 397 . 1 1 38 38 LYS CE C 13 41.93 0.1 . 1 . . . . 561 LYS CE . 17989 1 398 . 1 1 38 38 LYS N N 15 122.71 0.1 . 1 . . . . 561 LYS N . 17989 1 399 . 1 1 39 39 LEU HA H 1 4.37 0.02 . 1 . . . . 562 LEU HA . 17989 1 400 . 1 1 39 39 LEU HB2 H 1 1.58 0.02 . 1 . . . . 562 LEU HB2 . 17989 1 401 . 1 1 39 39 LEU HB3 H 1 1.58 0.02 . 1 . . . . 562 LEU HB3 . 17989 1 402 . 1 1 39 39 LEU HG H 1 1.56 0.02 . 1 . . . . 562 LEU HG . 17989 1 403 . 1 1 39 39 LEU HD11 H 1 0.79 0.02 . 2 . . . . 562 LEU MD1 . 17989 1 404 . 1 1 39 39 LEU HD12 H 1 0.79 0.02 . 2 . . . . 562 LEU MD1 . 17989 1 405 . 1 1 39 39 LEU HD13 H 1 0.79 0.02 . 2 . . . . 562 LEU MD1 . 17989 1 406 . 1 1 39 39 LEU HD21 H 1 0.80 0.02 . 2 . . . . 562 LEU MD2 . 17989 1 407 . 1 1 39 39 LEU HD22 H 1 0.80 0.02 . 2 . . . . 562 LEU MD2 . 17989 1 408 . 1 1 39 39 LEU HD23 H 1 0.80 0.02 . 2 . . . . 562 LEU MD2 . 17989 1 409 . 1 1 39 39 LEU C C 13 176.73 0.1 . 1 . . . . 562 LEU C . 17989 1 410 . 1 1 39 39 LEU CA C 13 54.61 0.1 . 1 . . . . 562 LEU CA . 17989 1 411 . 1 1 39 39 LEU CB C 13 43.01 0.1 . 1 . . . . 562 LEU CB . 17989 1 412 . 1 1 39 39 LEU CG C 13 27.38 0.1 . 1 . . . . 562 LEU CG . 17989 1 413 . 1 1 39 39 LEU CD1 C 13 24.44 0.1 . 2 . . . . 562 LEU CD1 . 17989 1 414 . 1 1 39 39 LEU CD2 C 13 25.76 0.1 . 2 . . . . 562 LEU CD2 . 17989 1 415 . 1 1 40 40 SER H H 1 7.72 0.02 . 1 . . . . 563 SER H . 17989 1 416 . 1 1 40 40 SER HA H 1 4.41 0.02 . 1 . . . . 563 SER HA . 17989 1 417 . 1 1 40 40 SER HB2 H 1 4.30 0.02 . 2 . . . . 563 SER HB2 . 17989 1 418 . 1 1 40 40 SER HB3 H 1 4.04 0.02 . 2 . . . . 563 SER HB3 . 17989 1 419 . 1 1 40 40 SER CA C 13 57.47 0.1 . 1 . . . . 563 SER CA . 17989 1 420 . 1 1 40 40 SER CB C 13 64.24 0.1 . 1 . . . . 563 SER CB . 17989 1 421 . 1 1 40 40 SER N N 15 118.34 0.1 . 1 . . . . 563 SER N . 17989 1 422 . 1 1 41 41 TYR HA H 1 4.17 0.02 . 1 . . . . 564 TYR HA . 17989 1 423 . 1 1 41 41 TYR HB2 H 1 3.17 0.02 . 2 . . . . 564 TYR HB2 . 17989 1 424 . 1 1 41 41 TYR HB3 H 1 3.00 0.02 . 2 . . . . 564 TYR HB3 . 17989 1 425 . 1 1 41 41 TYR HD1 H 1 7.08 0.02 . 3 . . . . 564 TYR HD1 . 17989 1 426 . 1 1 41 41 TYR HD2 H 1 7.08 0.02 . 3 . . . . 564 TYR HD2 . 17989 1 427 . 1 1 41 41 TYR HE1 H 1 6.81 0.02 . 3 . . . . 564 TYR HE1 . 17989 1 428 . 1 1 41 41 TYR HE2 H 1 6.81 0.02 . 3 . . . . 564 TYR HE2 . 17989 1 429 . 1 1 41 41 TYR C C 13 177.49 0.1 . 1 . . . . 564 TYR C . 17989 1 430 . 1 1 41 41 TYR CA C 13 61.90 0.1 . 1 . . . . 564 TYR CA . 17989 1 431 . 1 1 41 41 TYR CB C 13 38.06 0.1 . 1 . . . . 564 TYR CB . 17989 1 432 . 1 1 41 41 TYR CD1 C 13 133.22 0.1 . 3 . . . . 564 TYR CD1 . 17989 1 433 . 1 1 41 41 TYR CD2 C 13 133.22 0.1 . 3 . . . . 564 TYR CD2 . 17989 1 434 . 1 1 41 41 TYR CE1 C 13 118.15 0.1 . 3 . . . . 564 TYR CE1 . 17989 1 435 . 1 1 41 41 TYR CE2 C 13 118.15 0.1 . 3 . . . . 564 TYR CE2 . 17989 1 436 . 1 1 42 42 LYS H H 1 8.33 0.02 . 1 . . . . 565 LYS H . 17989 1 437 . 1 1 42 42 LYS HA H 1 3.83 0.02 . 1 . . . . 565 LYS HA . 17989 1 438 . 1 1 42 42 LYS HB2 H 1 1.87 0.02 . 2 . . . . 565 LYS HB2 . 17989 1 439 . 1 1 42 42 LYS HB3 H 1 1.74 0.02 . 2 . . . . 565 LYS HB3 . 17989 1 440 . 1 1 42 42 LYS HG2 H 1 1.49 0.02 . 2 . . . . 565 LYS HG2 . 17989 1 441 . 1 1 42 42 LYS HG3 H 1 1.40 0.02 . 2 . . . . 565 LYS HG3 . 17989 1 442 . 1 1 42 42 LYS HD2 H 1 1.70 0.02 . 1 . . . . 565 LYS HD2 . 17989 1 443 . 1 1 42 42 LYS HD3 H 1 1.70 0.02 . 1 . . . . 565 LYS HD3 . 17989 1 444 . 1 1 42 42 LYS HE2 H 1 3.00 0.02 . 1 . . . . 565 LYS HE2 . 17989 1 445 . 1 1 42 42 LYS HE3 H 1 3.00 0.02 . 1 . . . . 565 LYS HE3 . 17989 1 446 . 1 1 42 42 LYS C C 13 179.49 0.1 . 1 . . . . 565 LYS C . 17989 1 447 . 1 1 42 42 LYS CA C 13 59.83 0.1 . 1 . . . . 565 LYS CA . 17989 1 448 . 1 1 42 42 LYS CB C 13 32.75 0.1 . 1 . . . . 565 LYS CB . 17989 1 449 . 1 1 42 42 LYS CG C 13 25.12 0.1 . 1 . . . . 565 LYS CG . 17989 1 450 . 1 1 42 42 LYS CD C 13 29.67 0.1 . 1 . . . . 565 LYS CD . 17989 1 451 . 1 1 42 42 LYS CE C 13 41.91 0.1 . 1 . . . . 565 LYS CE . 17989 1 452 . 1 1 42 42 LYS N N 15 117.61 0.1 . 1 . . . . 565 LYS N . 17989 1 453 . 1 1 43 43 LEU H H 1 7.43 0.02 . 1 . . . . 566 LEU H . 17989 1 454 . 1 1 43 43 LEU HA H 1 4.29 0.02 . 1 . . . . 566 LEU HA . 17989 1 455 . 1 1 43 43 LEU HB2 H 1 1.87 0.02 . 2 . . . . 566 LEU HB2 . 17989 1 456 . 1 1 43 43 LEU HB3 H 1 1.46 0.02 . 2 . . . . 566 LEU HB3 . 17989 1 457 . 1 1 43 43 LEU HG H 1 1.70 0.02 . 1 . . . . 566 LEU HG . 17989 1 458 . 1 1 43 43 LEU HD11 H 1 0.91 0.02 . 2 . . . . 566 LEU MD1 . 17989 1 459 . 1 1 43 43 LEU HD12 H 1 0.91 0.02 . 2 . . . . 566 LEU MD1 . 17989 1 460 . 1 1 43 43 LEU HD13 H 1 0.91 0.02 . 2 . . . . 566 LEU MD1 . 17989 1 461 . 1 1 43 43 LEU HD21 H 1 0.98 0.02 . 2 . . . . 566 LEU MD2 . 17989 1 462 . 1 1 43 43 LEU HD22 H 1 0.98 0.02 . 2 . . . . 566 LEU MD2 . 17989 1 463 . 1 1 43 43 LEU HD23 H 1 0.98 0.02 . 2 . . . . 566 LEU MD2 . 17989 1 464 . 1 1 43 43 LEU C C 13 178.39 0.1 . 1 . . . . 566 LEU C . 17989 1 465 . 1 1 43 43 LEU CA C 13 57.51 0.1 . 1 . . . . 566 LEU CA . 17989 1 466 . 1 1 43 43 LEU CB C 13 41.89 0.1 . 1 . . . . 566 LEU CB . 17989 1 467 . 1 1 43 43 LEU CG C 13 27.68 0.1 . 1 . . . . 566 LEU CG . 17989 1 468 . 1 1 43 43 LEU CD1 C 13 22.87 0.1 . 2 . . . . 566 LEU CD1 . 17989 1 469 . 1 1 43 43 LEU CD2 C 13 25.54 0.1 . 2 . . . . 566 LEU CD2 . 17989 1 470 . 1 1 43 43 LEU N N 15 120.11 0.1 . 1 . . . . 566 LEU N . 17989 1 471 . 1 1 44 44 GLN H H 1 8.65 0.02 . 1 . . . . 567 GLN H . 17989 1 472 . 1 1 44 44 GLN HA H 1 3.87 0.02 . 1 . . . . 567 GLN HA . 17989 1 473 . 1 1 44 44 GLN HB2 H 1 2.08 0.02 . 2 . . . . 567 GLN HB2 . 17989 1 474 . 1 1 44 44 GLN HB3 H 1 2.06 0.02 . 2 . . . . 567 GLN HB3 . 17989 1 475 . 1 1 44 44 GLN HG2 H 1 2.28 0.02 . 2 . . . . 567 GLN HG2 . 17989 1 476 . 1 1 44 44 GLN HG3 H 1 2.34 0.02 . 2 . . . . 567 GLN HG3 . 17989 1 477 . 1 1 44 44 GLN HE21 H 1 6.79 0.02 . 2 . . . . 567 GLN HE21 . 17989 1 478 . 1 1 44 44 GLN HE22 H 1 7.63 0.02 . 2 . . . . 567 GLN HE22 . 17989 1 479 . 1 1 44 44 GLN C C 13 178.70 0.1 . 1 . . . . 567 GLN C . 17989 1 480 . 1 1 44 44 GLN CA C 13 59.34 0.1 . 1 . . . . 567 GLN CA . 17989 1 481 . 1 1 44 44 GLN CB C 13 28.17 0.1 . 1 . . . . 567 GLN CB . 17989 1 482 . 1 1 44 44 GLN CG C 13 33.75 0.1 . 1 . . . . 567 GLN CG . 17989 1 483 . 1 1 44 44 GLN N N 15 120.57 0.1 . 1 . . . . 567 GLN N . 17989 1 484 . 1 1 44 44 GLN NE2 N 15 112.27 0.1 . 1 . . . . 567 GLN NE2 . 17989 1 485 . 1 1 45 45 ARG H H 1 8.00 0.02 . 1 . . . . 568 ARG H . 17989 1 486 . 1 1 45 45 ARG HA H 1 4.01 0.02 . 1 . . . . 568 ARG HA . 17989 1 487 . 1 1 45 45 ARG HB2 H 1 1.74 0.02 . 1 . . . . 568 ARG HB2 . 17989 1 488 . 1 1 45 45 ARG HB3 H 1 1.74 0.02 . 1 . . . . 568 ARG HB3 . 17989 1 489 . 1 1 45 45 ARG HG2 H 1 1.47 0.02 . 1 . . . . 568 ARG HG2 . 17989 1 490 . 1 1 45 45 ARG HG3 H 1 1.47 0.02 . 1 . . . . 568 ARG HG3 . 17989 1 491 . 1 1 45 45 ARG HD2 H 1 3.11 0.02 . 2 . . . . 568 ARG HD2 . 17989 1 492 . 1 1 45 45 ARG HD3 H 1 3.05 0.02 . 2 . . . . 568 ARG HD3 . 17989 1 493 . 1 1 45 45 ARG C C 13 178.58 0.1 . 1 . . . . 568 ARG C . 17989 1 494 . 1 1 45 45 ARG CA C 13 58.42 0.1 . 1 . . . . 568 ARG CA . 17989 1 495 . 1 1 45 45 ARG CB C 13 29.47 0.1 . 1 . . . . 568 ARG CB . 17989 1 496 . 1 1 45 45 ARG CG C 13 26.48 0.1 . 1 . . . . 568 ARG CG . 17989 1 497 . 1 1 45 45 ARG CD C 13 42.91 0.1 . 1 . . . . 568 ARG CD . 17989 1 498 . 1 1 45 45 ARG N N 15 118.44 0.1 . 1 . . . . 568 ARG N . 17989 1 499 . 1 1 46 46 GLU H H 1 7.58 0.02 . 1 . . . . 569 GLU H . 17989 1 500 . 1 1 46 46 GLU HA H 1 3.97 0.02 . 1 . . . . 569 GLU HA . 17989 1 501 . 1 1 46 46 GLU HB2 H 1 2.22 0.02 . 2 . . . . 569 GLU HB2 . 17989 1 502 . 1 1 46 46 GLU HB3 H 1 2.07 0.02 . 2 . . . . 569 GLU HB3 . 17989 1 503 . 1 1 46 46 GLU HG2 H 1 2.43 0.02 . 2 . . . . 569 GLU HG2 . 17989 1 504 . 1 1 46 46 GLU HG3 H 1 2.03 0.02 . 2 . . . . 569 GLU HG3 . 17989 1 505 . 1 1 46 46 GLU C C 13 179.41 0.1 . 1 . . . . 569 GLU C . 17989 1 506 . 1 1 46 46 GLU CA C 13 59.76 0.1 . 1 . . . . 569 GLU CA . 17989 1 507 . 1 1 46 46 GLU CB C 13 29.30 0.1 . 1 . . . . 569 GLU CB . 17989 1 508 . 1 1 46 46 GLU CG C 13 35.87 0.1 . 1 . . . . 569 GLU CG . 17989 1 509 . 1 1 46 46 GLU N N 15 120.64 0.1 . 1 . . . . 569 GLU N . 17989 1 510 . 1 1 47 47 LEU H H 1 8.39 0.02 . 1 . . . . 570 LEU H . 17989 1 511 . 1 1 47 47 LEU HA H 1 4.16 0.02 . 1 . . . . 570 LEU HA . 17989 1 512 . 1 1 47 47 LEU HB2 H 1 2.06 0.02 . 2 . . . . 570 LEU HB2 . 17989 1 513 . 1 1 47 47 LEU HB3 H 1 1.59 0.02 . 2 . . . . 570 LEU HB3 . 17989 1 514 . 1 1 47 47 LEU HG H 1 1.66 0.02 . 1 . . . . 570 LEU HG . 17989 1 515 . 1 1 47 47 LEU HD11 H 1 0.85 0.02 . 2 . . . . 570 LEU MD1 . 17989 1 516 . 1 1 47 47 LEU HD12 H 1 0.85 0.02 . 2 . . . . 570 LEU MD1 . 17989 1 517 . 1 1 47 47 LEU HD13 H 1 0.85 0.02 . 2 . . . . 570 LEU MD1 . 17989 1 518 . 1 1 47 47 LEU HD21 H 1 1.02 0.02 . 2 . . . . 570 LEU MD2 . 17989 1 519 . 1 1 47 47 LEU HD22 H 1 1.02 0.02 . 2 . . . . 570 LEU MD2 . 17989 1 520 . 1 1 47 47 LEU HD23 H 1 1.02 0.02 . 2 . . . . 570 LEU MD2 . 17989 1 521 . 1 1 47 47 LEU C C 13 179.44 0.1 . 1 . . . . 570 LEU C . 17989 1 522 . 1 1 47 47 LEU CA C 13 58.22 0.1 . 1 . . . . 570 LEU CA . 17989 1 523 . 1 1 47 47 LEU CB C 13 41.70 0.1 . 1 . . . . 570 LEU CB . 17989 1 524 . 1 1 47 47 LEU CG C 13 27.22 0.1 . 1 . . . . 570 LEU CG . 17989 1 525 . 1 1 47 47 LEU CD1 C 13 26.04 0.1 . 2 . . . . 570 LEU CD1 . 17989 1 526 . 1 1 47 47 LEU CD2 C 13 23.65 0.1 . 2 . . . . 570 LEU CD2 . 17989 1 527 . 1 1 47 47 LEU N N 15 119.95 0.1 . 1 . . . . 570 LEU N . 17989 1 528 . 1 1 48 48 GLU H H 1 8.18 0.02 . 1 . . . . 571 GLU H . 17989 1 529 . 1 1 48 48 GLU HA H 1 4.04 0.02 . 1 . . . . 571 GLU HA . 17989 1 530 . 1 1 48 48 GLU HB2 H 1 2.28 0.02 . 2 . . . . 571 GLU HB2 . 17989 1 531 . 1 1 48 48 GLU HB3 H 1 2.13 0.02 . 2 . . . . 571 GLU HB3 . 17989 1 532 . 1 1 48 48 GLU HG2 H 1 2.56 0.02 . 2 . . . . 571 GLU HG2 . 17989 1 533 . 1 1 48 48 GLU HG3 H 1 2.36 0.02 . 2 . . . . 571 GLU HG3 . 17989 1 534 . 1 1 48 48 GLU C C 13 178.44 0.1 . 1 . . . . 571 GLU C . 17989 1 535 . 1 1 48 48 GLU CA C 13 58.96 0.1 . 1 . . . . 571 GLU CA . 17989 1 536 . 1 1 48 48 GLU CB C 13 29.77 0.1 . 1 . . . . 571 GLU CB . 17989 1 537 . 1 1 48 48 GLU CG C 13 36.73 0.1 . 1 . . . . 571 GLU CG . 17989 1 538 . 1 1 48 48 GLU N N 15 118.00 0.1 . 1 . . . . 571 GLU N . 17989 1 539 . 1 1 49 49 GLN H H 1 7.56 0.02 . 1 . . . . 572 GLN H . 17989 1 540 . 1 1 49 49 GLN HA H 1 4.41 0.02 . 1 . . . . 572 GLN HA . 17989 1 541 . 1 1 49 49 GLN HB2 H 1 2.26 0.02 . 2 . . . . 572 GLN HB2 . 17989 1 542 . 1 1 49 49 GLN HB3 H 1 2.12 0.02 . 2 . . . . 572 GLN HB3 . 17989 1 543 . 1 1 49 49 GLN HG2 H 1 2.62 0.02 . 2 . . . . 572 GLN HG2 . 17989 1 544 . 1 1 49 49 GLN HG3 H 1 2.46 0.02 . 2 . . . . 572 GLN HG3 . 17989 1 545 . 1 1 49 49 GLN HE21 H 1 7.43 0.02 . 2 . . . . 572 GLN HE21 . 17989 1 546 . 1 1 49 49 GLN HE22 H 1 6.75 0.02 . 2 . . . . 572 GLN HE22 . 17989 1 547 . 1 1 49 49 GLN C C 13 176.93 0.1 . 1 . . . . 572 GLN C . 17989 1 548 . 1 1 49 49 GLN CA C 13 56.43 0.1 . 1 . . . . 572 GLN CA . 17989 1 549 . 1 1 49 49 GLN CB C 13 29.86 0.1 . 1 . . . . 572 GLN CB . 17989 1 550 . 1 1 49 49 GLN CG C 13 34.38 0.1 . 1 . . . . 572 GLN CG . 17989 1 551 . 1 1 49 49 GLN N N 15 115.89 0.1 . 1 . . . . 572 GLN N . 17989 1 552 . 1 1 49 49 GLN NE2 N 15 111.24 0.1 . 1 . . . . 572 GLN NE2 . 17989 1 553 . 1 1 50 50 LEU H H 1 7.73 0.02 . 1 . . . . 573 LEU H . 17989 1 554 . 1 1 50 50 LEU HA H 1 4.29 0.02 . 1 . . . . 573 LEU HA . 17989 1 555 . 1 1 50 50 LEU HB2 H 1 2.19 0.02 . 2 . . . . 573 LEU HB2 . 17989 1 556 . 1 1 50 50 LEU HB3 H 1 1.47 0.02 . 2 . . . . 573 LEU HB3 . 17989 1 557 . 1 1 50 50 LEU HG H 1 1.93 0.02 . 1 . . . . 573 LEU HG . 17989 1 558 . 1 1 50 50 LEU HD11 H 1 1.09 0.02 . 2 . . . . 573 LEU MD1 . 17989 1 559 . 1 1 50 50 LEU HD12 H 1 1.09 0.02 . 2 . . . . 573 LEU MD1 . 17989 1 560 . 1 1 50 50 LEU HD13 H 1 1.09 0.02 . 2 . . . . 573 LEU MD1 . 17989 1 561 . 1 1 50 50 LEU HD21 H 1 1.08 0.02 . 2 . . . . 573 LEU MD2 . 17989 1 562 . 1 1 50 50 LEU HD22 H 1 1.08 0.02 . 2 . . . . 573 LEU MD2 . 17989 1 563 . 1 1 50 50 LEU HD23 H 1 1.08 0.02 . 2 . . . . 573 LEU MD2 . 17989 1 564 . 1 1 50 50 LEU C C 13 175.13 0.1 . 1 . . . . 573 LEU C . 17989 1 565 . 1 1 50 50 LEU CA C 13 59.71 0.1 . 1 . . . . 573 LEU CA . 17989 1 566 . 1 1 50 50 LEU CB C 13 41.39 0.1 . 1 . . . . 573 LEU CB . 17989 1 567 . 1 1 50 50 LEU CG C 13 29.41 0.1 . 1 . . . . 573 LEU CG . 17989 1 568 . 1 1 50 50 LEU CD1 C 13 25.84 0.1 . 2 . . . . 573 LEU CD1 . 17989 1 569 . 1 1 50 50 LEU CD2 C 13 24.55 0.1 . 2 . . . . 573 LEU CD2 . 17989 1 570 . 1 1 50 50 LEU N N 15 123.17 0.1 . 1 . . . . 573 LEU N . 17989 1 571 . 1 1 51 51 PRO HA H 1 3.88 0.02 . 1 . . . . 574 PRO HA . 17989 1 572 . 1 1 51 51 PRO HB2 H 1 2.22 0.02 . 2 . . . . 574 PRO HB2 . 17989 1 573 . 1 1 51 51 PRO HB3 H 1 1.82 0.02 . 2 . . . . 574 PRO HB3 . 17989 1 574 . 1 1 51 51 PRO HG2 H 1 1.74 0.02 . 2 . . . . 574 PRO HG2 . 17989 1 575 . 1 1 51 51 PRO HG3 H 1 2.22 0.02 . 2 . . . . 574 PRO HG3 . 17989 1 576 . 1 1 51 51 PRO HD2 H 1 3.86 0.02 . 2 . . . . 574 PRO HD2 . 17989 1 577 . 1 1 51 51 PRO HD3 H 1 3.58 0.02 . 2 . . . . 574 PRO HD3 . 17989 1 578 . 1 1 51 51 PRO C C 13 179.00 0.1 . 1 . . . . 574 PRO C . 17989 1 579 . 1 1 51 51 PRO CA C 13 67.07 0.1 . 1 . . . . 574 PRO CA . 17989 1 580 . 1 1 51 51 PRO CB C 13 30.82 0.1 . 1 . . . . 574 PRO CB . 17989 1 581 . 1 1 51 51 PRO CG C 13 28.78 0.1 . 1 . . . . 574 PRO CG . 17989 1 582 . 1 1 51 51 PRO CD C 13 50.41 0.1 . 1 . . . . 574 PRO CD . 17989 1 583 . 1 1 52 52 GLN H H 1 7.78 0.02 . 1 . . . . 575 GLN H . 17989 1 584 . 1 1 52 52 GLN HA H 1 4.03 0.02 . 1 . . . . 575 GLN HA . 17989 1 585 . 1 1 52 52 GLN HB2 H 1 2.15 0.02 . 2 . . . . 575 GLN HB2 . 17989 1 586 . 1 1 52 52 GLN HB3 H 1 2.10 0.02 . 2 . . . . 575 GLN HB3 . 17989 1 587 . 1 1 52 52 GLN HG2 H 1 2.40 0.02 . 2 . . . . 575 GLN HG2 . 17989 1 588 . 1 1 52 52 GLN HG3 H 1 2.39 0.02 . 2 . . . . 575 GLN HG3 . 17989 1 589 . 1 1 52 52 GLN HE21 H 1 6.87 0.02 . 2 . . . . 575 GLN HE21 . 17989 1 590 . 1 1 52 52 GLN HE22 H 1 7.74 0.02 . 2 . . . . 575 GLN HE22 . 17989 1 591 . 1 1 52 52 GLN C C 13 177.59 0.1 . 1 . . . . 575 GLN C . 17989 1 592 . 1 1 52 52 GLN CA C 13 58.40 0.1 . 1 . . . . 575 GLN CA . 17989 1 593 . 1 1 52 52 GLN CB C 13 28.70 0.1 . 1 . . . . 575 GLN CB . 17989 1 594 . 1 1 52 52 GLN CG C 13 34.26 0.1 . 1 . . . . 575 GLN CG . 17989 1 595 . 1 1 52 52 GLN N N 15 116.48 0.1 . 1 . . . . 575 GLN N . 17989 1 596 . 1 1 52 52 GLN NE2 N 15 115.23 0.1 . 1 . . . . 575 GLN NE2 . 17989 1 597 . 1 1 53 53 LEU H H 1 7.52 0.02 . 1 . . . . 576 LEU H . 17989 1 598 . 1 1 53 53 LEU HA H 1 4.23 0.02 . 1 . . . . 576 LEU HA . 17989 1 599 . 1 1 53 53 LEU HB2 H 1 2.02 0.02 . 2 . . . . 576 LEU HB2 . 17989 1 600 . 1 1 53 53 LEU HB3 H 1 1.70 0.02 . 2 . . . . 576 LEU HB3 . 17989 1 601 . 1 1 53 53 LEU HG H 1 1.57 0.02 . 1 . . . . 576 LEU HG . 17989 1 602 . 1 1 53 53 LEU HD11 H 1 0.99 0.02 . 2 . . . . 576 LEU MD1 . 17989 1 603 . 1 1 53 53 LEU HD12 H 1 0.99 0.02 . 2 . . . . 576 LEU MD1 . 17989 1 604 . 1 1 53 53 LEU HD13 H 1 0.99 0.02 . 2 . . . . 576 LEU MD1 . 17989 1 605 . 1 1 53 53 LEU HD21 H 1 0.94 0.02 . 2 . . . . 576 LEU MD2 . 17989 1 606 . 1 1 53 53 LEU HD22 H 1 0.94 0.02 . 2 . . . . 576 LEU MD2 . 17989 1 607 . 1 1 53 53 LEU HD23 H 1 0.94 0.02 . 2 . . . . 576 LEU MD2 . 17989 1 608 . 1 1 53 53 LEU C C 13 179.23 0.1 . 1 . . . . 576 LEU C . 17989 1 609 . 1 1 53 53 LEU CA C 13 58.39 0.1 . 1 . . . . 576 LEU CA . 17989 1 610 . 1 1 53 53 LEU CB C 13 41.63 0.1 . 1 . . . . 576 LEU CB . 17989 1 611 . 1 1 53 53 LEU CG C 13 27.13 0.1 . 1 . . . . 576 LEU CG . 17989 1 612 . 1 1 53 53 LEU CD1 C 13 23.72 0.1 . 2 . . . . 576 LEU CD1 . 17989 1 613 . 1 1 53 53 LEU CD2 C 13 25.16 0.1 . 2 . . . . 576 LEU CD2 . 17989 1 614 . 1 1 53 53 LEU N N 15 122.20 0.1 . 1 . . . . 576 LEU N . 17989 1 615 . 1 1 54 54 LEU H H 1 8.62 0.02 . 1 . . . . 577 LEU H . 17989 1 616 . 1 1 54 54 LEU HA H 1 3.76 0.02 . 1 . . . . 577 LEU HA . 17989 1 617 . 1 1 54 54 LEU HB2 H 1 1.74 0.02 . 2 . . . . 577 LEU HB2 . 17989 1 618 . 1 1 54 54 LEU HB3 H 1 1.23 0.02 . 2 . . . . 577 LEU HB3 . 17989 1 619 . 1 1 54 54 LEU HG H 1 1.55 0.02 . 1 . . . . 577 LEU HG . 17989 1 620 . 1 1 54 54 LEU HD11 H 1 0.52 0.02 . 2 . . . . 577 LEU MD1 . 17989 1 621 . 1 1 54 54 LEU HD12 H 1 0.52 0.02 . 2 . . . . 577 LEU MD1 . 17989 1 622 . 1 1 54 54 LEU HD13 H 1 0.52 0.02 . 2 . . . . 577 LEU MD1 . 17989 1 623 . 1 1 54 54 LEU HD21 H 1 0.36 0.02 . 2 . . . . 577 LEU MD2 . 17989 1 624 . 1 1 54 54 LEU HD22 H 1 0.36 0.02 . 2 . . . . 577 LEU MD2 . 17989 1 625 . 1 1 54 54 LEU HD23 H 1 0.36 0.02 . 2 . . . . 577 LEU MD2 . 17989 1 626 . 1 1 54 54 LEU C C 13 179.18 0.1 . 1 . . . . 577 LEU C . 17989 1 627 . 1 1 54 54 LEU CA C 13 58.38 0.1 . 1 . . . . 577 LEU CA . 17989 1 628 . 1 1 54 54 LEU CB C 13 41.29 0.1 . 1 . . . . 577 LEU CB . 17989 1 629 . 1 1 54 54 LEU CG C 13 27.05 0.1 . 1 . . . . 577 LEU CG . 17989 1 630 . 1 1 54 54 LEU CD1 C 13 24.08 0.1 . 2 . . . . 577 LEU CD1 . 17989 1 631 . 1 1 54 54 LEU CD2 C 13 25.21 0.1 . 2 . . . . 577 LEU CD2 . 17989 1 632 . 1 1 54 54 LEU N N 15 118.12 0.1 . 1 . . . . 577 LEU N . 17989 1 633 . 1 1 55 55 GLU H H 1 7.61 0.02 . 1 . . . . 578 GLU H . 17989 1 634 . 1 1 55 55 GLU HA H 1 4.03 0.02 . 1 . . . . 578 GLU HA . 17989 1 635 . 1 1 55 55 GLU HB2 H 1 2.12 0.02 . 1 . . . . 578 GLU HB2 . 17989 1 636 . 1 1 55 55 GLU HB3 H 1 2.12 0.02 . 1 . . . . 578 GLU HB3 . 17989 1 637 . 1 1 55 55 GLU HG2 H 1 2.42 0.02 . 2 . . . . 578 GLU HG2 . 17989 1 638 . 1 1 55 55 GLU HG3 H 1 2.23 0.02 . 2 . . . . 578 GLU HG3 . 17989 1 639 . 1 1 55 55 GLU C C 13 179.72 0.1 . 1 . . . . 578 GLU C . 17989 1 640 . 1 1 55 55 GLU CA C 13 59.91 0.1 . 1 . . . . 578 GLU CA . 17989 1 641 . 1 1 55 55 GLU CB C 13 29.56 0.1 . 1 . . . . 578 GLU CB . 17989 1 642 . 1 1 55 55 GLU CG C 13 36.63 0.1 . 1 . . . . 578 GLU CG . 17989 1 643 . 1 1 55 55 GLU N N 15 118.65 0.1 . 1 . . . . 578 GLU N . 17989 1 644 . 1 1 56 56 ASP H H 1 8.27 0.02 . 1 . . . . 579 ASP H . 17989 1 645 . 1 1 56 56 ASP HA H 1 4.45 0.02 . 1 . . . . 579 ASP HA . 17989 1 646 . 1 1 56 56 ASP HB2 H 1 2.95 0.02 . 2 . . . . 579 ASP HB2 . 17989 1 647 . 1 1 56 56 ASP HB3 H 1 2.69 0.02 . 2 . . . . 579 ASP HB3 . 17989 1 648 . 1 1 56 56 ASP C C 13 179.73 0.1 . 1 . . . . 579 ASP C . 17989 1 649 . 1 1 56 56 ASP CA C 13 57.49 0.1 . 1 . . . . 579 ASP CA . 17989 1 650 . 1 1 56 56 ASP CB C 13 40.57 0.1 . 1 . . . . 579 ASP CB . 17989 1 651 . 1 1 56 56 ASP N N 15 121.75 0.1 . 1 . . . . 579 ASP N . 17989 1 652 . 1 1 57 57 LEU H H 1 8.86 0.02 . 1 . . . . 580 LEU H . 17989 1 653 . 1 1 57 57 LEU HA H 1 4.12 0.02 . 1 . . . . 580 LEU HA . 17989 1 654 . 1 1 57 57 LEU HB2 H 1 2.05 0.02 . 2 . . . . 580 LEU HB2 . 17989 1 655 . 1 1 57 57 LEU HB3 H 1 1.36 0.02 . 2 . . . . 580 LEU HB3 . 17989 1 656 . 1 1 57 57 LEU HG H 1 1.95 0.02 . 1 . . . . 580 LEU HG . 17989 1 657 . 1 1 57 57 LEU HD11 H 1 0.79 0.02 . 2 . . . . 580 LEU MD1 . 17989 1 658 . 1 1 57 57 LEU HD12 H 1 0.79 0.02 . 2 . . . . 580 LEU MD1 . 17989 1 659 . 1 1 57 57 LEU HD13 H 1 0.79 0.02 . 2 . . . . 580 LEU MD1 . 17989 1 660 . 1 1 57 57 LEU HD21 H 1 0.89 0.02 . 2 . . . . 580 LEU MD2 . 17989 1 661 . 1 1 57 57 LEU HD22 H 1 0.89 0.02 . 2 . . . . 580 LEU MD2 . 17989 1 662 . 1 1 57 57 LEU HD23 H 1 0.89 0.02 . 2 . . . . 580 LEU MD2 . 17989 1 663 . 1 1 57 57 LEU C C 13 180.13 0.1 . 1 . . . . 580 LEU C . 17989 1 664 . 1 1 57 57 LEU CA C 13 57.86 0.1 . 1 . . . . 580 LEU CA . 17989 1 665 . 1 1 57 57 LEU CB C 13 43.14 0.1 . 1 . . . . 580 LEU CB . 17989 1 666 . 1 1 57 57 LEU CG C 13 26.64 0.1 . 1 . . . . 580 LEU CG . 17989 1 667 . 1 1 57 57 LEU CD1 C 13 26.42 0.1 . 2 . . . . 580 LEU CD1 . 17989 1 668 . 1 1 57 57 LEU CD2 C 13 22.35 0.1 . 2 . . . . 580 LEU CD2 . 17989 1 669 . 1 1 57 57 LEU N N 15 121.93 0.1 . 1 . . . . 580 LEU N . 17989 1 670 . 1 1 58 58 GLU H H 1 8.71 0.02 . 1 . . . . 581 GLU H . 17989 1 671 . 1 1 58 58 GLU HA H 1 3.97 0.02 . 1 . . . . 581 GLU HA . 17989 1 672 . 1 1 58 58 GLU HB2 H 1 2.20 0.02 . 2 . . . . 581 GLU HB2 . 17989 1 673 . 1 1 58 58 GLU HB3 H 1 2.06 0.02 . 2 . . . . 581 GLU HB3 . 17989 1 674 . 1 1 58 58 GLU HG2 H 1 2.50 0.02 . 2 . . . . 581 GLU HG2 . 17989 1 675 . 1 1 58 58 GLU HG3 H 1 2.26 0.02 . 2 . . . . 581 GLU HG3 . 17989 1 676 . 1 1 58 58 GLU C C 13 179.08 0.1 . 1 . . . . 581 GLU C . 17989 1 677 . 1 1 58 58 GLU CA C 13 60.39 0.1 . 1 . . . . 581 GLU CA . 17989 1 678 . 1 1 58 58 GLU CB C 13 29.47 0.1 . 1 . . . . 581 GLU CB . 17989 1 679 . 1 1 58 58 GLU CG C 13 36.87 0.1 . 1 . . . . 581 GLU CG . 17989 1 680 . 1 1 58 58 GLU N N 15 121.32 0.1 . 1 . . . . 581 GLU N . 17989 1 681 . 1 1 59 59 ALA H H 1 7.99 0.02 . 1 . . . . 582 ALA H . 17989 1 682 . 1 1 59 59 ALA HA H 1 4.24 0.02 . 1 . . . . 582 ALA HA . 17989 1 683 . 1 1 59 59 ALA HB1 H 1 1.58 0.02 . 1 . . . . 582 ALA MB . 17989 1 684 . 1 1 59 59 ALA HB2 H 1 1.58 0.02 . 1 . . . . 582 ALA MB . 17989 1 685 . 1 1 59 59 ALA HB3 H 1 1.58 0.02 . 1 . . . . 582 ALA MB . 17989 1 686 . 1 1 59 59 ALA C C 13 181.12 0.1 . 1 . . . . 582 ALA C . 17989 1 687 . 1 1 59 59 ALA CA C 13 55.27 0.1 . 1 . . . . 582 ALA CA . 17989 1 688 . 1 1 59 59 ALA CB C 13 17.88 0.1 . 1 . . . . 582 ALA CB . 17989 1 689 . 1 1 59 59 ALA N N 15 122.08 0.1 . 1 . . . . 582 ALA N . 17989 1 690 . 1 1 60 60 LYS H H 1 8.08 0.02 . 1 . . . . 583 LYS H . 17989 1 691 . 1 1 60 60 LYS HA H 1 4.07 0.02 . 1 . . . . 583 LYS HA . 17989 1 692 . 1 1 60 60 LYS HB2 H 1 1.97 0.02 . 1 . . . . 583 LYS HB2 . 17989 1 693 . 1 1 60 60 LYS HB3 H 1 1.97 0.02 . 1 . . . . 583 LYS HB3 . 17989 1 694 . 1 1 60 60 LYS HG2 H 1 1.61 0.02 . 2 . . . . 583 LYS HG2 . 17989 1 695 . 1 1 60 60 LYS HG3 H 1 1.33 0.02 . 2 . . . . 583 LYS HG3 . 17989 1 696 . 1 1 60 60 LYS HD2 H 1 1.71 0.02 . 1 . . . . 583 LYS HD2 . 17989 1 697 . 1 1 60 60 LYS HD3 H 1 1.71 0.02 . 1 . . . . 583 LYS HD3 . 17989 1 698 . 1 1 60 60 LYS HE2 H 1 2.93 0.02 . 1 . . . . 583 LYS HE2 . 17989 1 699 . 1 1 60 60 LYS HE3 H 1 2.93 0.02 . 1 . . . . 583 LYS HE3 . 17989 1 700 . 1 1 60 60 LYS C C 13 179.15 0.1 . 1 . . . . 583 LYS C . 17989 1 701 . 1 1 60 60 LYS CA C 13 59.53 0.1 . 1 . . . . 583 LYS CA . 17989 1 702 . 1 1 60 60 LYS CB C 13 32.72 0.1 . 1 . . . . 583 LYS CB . 17989 1 703 . 1 1 60 60 LYS CG C 13 25.41 0.1 . 1 . . . . 583 LYS CG . 17989 1 704 . 1 1 60 60 LYS CD C 13 29.61 0.1 . 1 . . . . 583 LYS CD . 17989 1 705 . 1 1 60 60 LYS CE C 13 41.86 0.1 . 1 . . . . 583 LYS CE . 17989 1 706 . 1 1 60 60 LYS N N 15 121.03 0.1 . 1 . . . . 583 LYS N . 17989 1 707 . 1 1 61 61 LEU H H 1 8.10 0.02 . 1 . . . . 584 LEU H . 17989 1 708 . 1 1 61 61 LEU HA H 1 4.09 0.02 . 1 . . . . 584 LEU HA . 17989 1 709 . 1 1 61 61 LEU HB2 H 1 2.01 0.02 . 2 . . . . 584 LEU HB2 . 17989 1 710 . 1 1 61 61 LEU HB3 H 1 1.44 0.02 . 2 . . . . 584 LEU HB3 . 17989 1 711 . 1 1 61 61 LEU HG H 1 1.50 0.02 . 1 . . . . 584 LEU HG . 17989 1 712 . 1 1 61 61 LEU HD11 H 1 0.96 0.02 . 2 . . . . 584 LEU MD1 . 17989 1 713 . 1 1 61 61 LEU HD12 H 1 0.96 0.02 . 2 . . . . 584 LEU MD1 . 17989 1 714 . 1 1 61 61 LEU HD13 H 1 0.96 0.02 . 2 . . . . 584 LEU MD1 . 17989 1 715 . 1 1 61 61 LEU HD21 H 1 1.02 0.02 . 2 . . . . 584 LEU MD2 . 17989 1 716 . 1 1 61 61 LEU HD22 H 1 1.02 0.02 . 2 . . . . 584 LEU MD2 . 17989 1 717 . 1 1 61 61 LEU HD23 H 1 1.02 0.02 . 2 . . . . 584 LEU MD2 . 17989 1 718 . 1 1 61 61 LEU C C 13 178.30 0.1 . 1 . . . . 584 LEU C . 17989 1 719 . 1 1 61 61 LEU CA C 13 58.14 0.1 . 1 . . . . 584 LEU CA . 17989 1 720 . 1 1 61 61 LEU CB C 13 41.66 0.1 . 1 . . . . 584 LEU CB . 17989 1 721 . 1 1 61 61 LEU CG C 13 27.31 0.1 . 1 . . . . 584 LEU CG . 17989 1 722 . 1 1 61 61 LEU CD1 C 13 26.84 0.1 . 2 . . . . 584 LEU CD1 . 17989 1 723 . 1 1 61 61 LEU CD2 C 13 24.50 0.1 . 2 . . . . 584 LEU CD2 . 17989 1 724 . 1 1 61 61 LEU N N 15 119.83 0.1 . 1 . . . . 584 LEU N . 17989 1 725 . 1 1 62 62 GLU H H 1 8.52 0.02 . 1 . . . . 585 GLU H . 17989 1 726 . 1 1 62 62 GLU HA H 1 4.10 0.02 . 1 . . . . 585 GLU HA . 17989 1 727 . 1 1 62 62 GLU HB2 H 1 2.15 0.02 . 2 . . . . 585 GLU HB2 . 17989 1 728 . 1 1 62 62 GLU HB3 H 1 2.11 0.02 . 2 . . . . 585 GLU HB3 . 17989 1 729 . 1 1 62 62 GLU HG2 H 1 2.39 0.02 . 2 . . . . 585 GLU HG2 . 17989 1 730 . 1 1 62 62 GLU HG3 H 1 2.20 0.02 . 2 . . . . 585 GLU HG3 . 17989 1 731 . 1 1 62 62 GLU C C 13 179.25 0.1 . 1 . . . . 585 GLU C . 17989 1 732 . 1 1 62 62 GLU CA C 13 59.65 0.1 . 1 . . . . 585 GLU CA . 17989 1 733 . 1 1 62 62 GLU CB C 13 29.32 0.1 . 1 . . . . 585 GLU CB . 17989 1 734 . 1 1 62 62 GLU CG C 13 36.47 0.1 . 1 . . . . 585 GLU CG . 17989 1 735 . 1 1 62 62 GLU N N 15 119.93 0.1 . 1 . . . . 585 GLU N . 17989 1 736 . 1 1 63 63 ALA H H 1 7.86 0.02 . 1 . . . . 586 ALA H . 17989 1 737 . 1 1 63 63 ALA HA H 1 4.18 0.02 . 1 . . . . 586 ALA HA . 17989 1 738 . 1 1 63 63 ALA HB1 H 1 1.55 0.02 . 1 . . . . 586 ALA MB . 17989 1 739 . 1 1 63 63 ALA HB2 H 1 1.55 0.02 . 1 . . . . 586 ALA MB . 17989 1 740 . 1 1 63 63 ALA HB3 H 1 1.55 0.02 . 1 . . . . 586 ALA MB . 17989 1 741 . 1 1 63 63 ALA C C 13 181.24 0.1 . 1 . . . . 586 ALA C . 17989 1 742 . 1 1 63 63 ALA CA C 13 55.31 0.1 . 1 . . . . 586 ALA CA . 17989 1 743 . 1 1 63 63 ALA CB C 13 17.82 0.1 . 1 . . . . 586 ALA CB . 17989 1 744 . 1 1 63 63 ALA N N 15 121.56 0.1 . 1 . . . . 586 ALA N . 17989 1 745 . 1 1 64 64 LEU H H 1 7.66 0.02 . 1 . . . . 587 LEU H . 17989 1 746 . 1 1 64 64 LEU HA H 1 4.12 0.02 . 1 . . . . 587 LEU HA . 17989 1 747 . 1 1 64 64 LEU HB2 H 1 2.03 0.02 . 2 . . . . 587 LEU HB2 . 17989 1 748 . 1 1 64 64 LEU HB3 H 1 1.25 0.02 . 2 . . . . 587 LEU HB3 . 17989 1 749 . 1 1 64 64 LEU HG H 1 1.85 0.02 . 1 . . . . 587 LEU HG . 17989 1 750 . 1 1 64 64 LEU HD11 H 1 0.80 0.02 . 2 . . . . 587 LEU MD1 . 17989 1 751 . 1 1 64 64 LEU HD12 H 1 0.80 0.02 . 2 . . . . 587 LEU MD1 . 17989 1 752 . 1 1 64 64 LEU HD13 H 1 0.80 0.02 . 2 . . . . 587 LEU MD1 . 17989 1 753 . 1 1 64 64 LEU HD21 H 1 1.02 0.02 . 2 . . . . 587 LEU MD2 . 17989 1 754 . 1 1 64 64 LEU HD22 H 1 1.02 0.02 . 2 . . . . 587 LEU MD2 . 17989 1 755 . 1 1 64 64 LEU HD23 H 1 1.02 0.02 . 2 . . . . 587 LEU MD2 . 17989 1 756 . 1 1 64 64 LEU C C 13 178.16 0.1 . 1 . . . . 587 LEU C . 17989 1 757 . 1 1 64 64 LEU CA C 13 58.34 0.1 . 1 . . . . 587 LEU CA . 17989 1 758 . 1 1 64 64 LEU CB C 13 42.46 0.1 . 1 . . . . 587 LEU CB . 17989 1 759 . 1 1 64 64 LEU CG C 13 27.38 0.1 . 1 . . . . 587 LEU CG . 17989 1 760 . 1 1 64 64 LEU CD1 C 13 26.12 0.1 . 2 . . . . 587 LEU CD1 . 17989 1 761 . 1 1 64 64 LEU CD2 C 13 23.65 0.1 . 2 . . . . 587 LEU CD2 . 17989 1 762 . 1 1 64 64 LEU N N 15 120.58 0.1 . 1 . . . . 587 LEU N . 17989 1 763 . 1 1 65 65 GLN H H 1 8.75 0.02 . 1 . . . . 588 GLN H . 17989 1 764 . 1 1 65 65 GLN HA H 1 3.86 0.02 . 1 . . . . 588 GLN HA . 17989 1 765 . 1 1 65 65 GLN HB2 H 1 2.31 0.02 . 2 . . . . 588 GLN HB2 . 17989 1 766 . 1 1 65 65 GLN HB3 H 1 1.92 0.02 . 2 . . . . 588 GLN HB3 . 17989 1 767 . 1 1 65 65 GLN HG2 H 1 2.52 0.02 . 2 . . . . 588 GLN HG2 . 17989 1 768 . 1 1 65 65 GLN HG3 H 1 2.40 0.02 . 2 . . . . 588 GLN HG3 . 17989 1 769 . 1 1 65 65 GLN HE21 H 1 6.74 0.02 . 2 . . . . 588 GLN HE21 . 17989 1 770 . 1 1 65 65 GLN HE22 H 1 7.42 0.02 . 2 . . . . 588 GLN HE22 . 17989 1 771 . 1 1 65 65 GLN C C 13 179.70 0.1 . 1 . . . . 588 GLN C . 17989 1 772 . 1 1 65 65 GLN CA C 13 59.30 0.1 . 1 . . . . 588 GLN CA . 17989 1 773 . 1 1 65 65 GLN CB C 13 27.95 0.1 . 1 . . . . 588 GLN CB . 17989 1 774 . 1 1 65 65 GLN CG C 13 34.26 0.1 . 1 . . . . 588 GLN CG . 17989 1 775 . 1 1 65 65 GLN N N 15 118.40 0.1 . 1 . . . . 588 GLN N . 17989 1 776 . 1 1 65 65 GLN NE2 N 15 110.49 0.1 . 1 . . . . 588 GLN NE2 . 17989 1 777 . 1 1 66 66 THR H H 1 8.26 0.02 . 1 . . . . 589 THR H . 17989 1 778 . 1 1 66 66 THR HA H 1 3.87 0.02 . 1 . . . . 589 THR HA . 17989 1 779 . 1 1 66 66 THR HB H 1 4.29 0.02 . 1 . . . . 589 THR HB . 17989 1 780 . 1 1 66 66 THR HG21 H 1 1.26 0.02 . 1 . . . . 589 THR MG . 17989 1 781 . 1 1 66 66 THR HG22 H 1 1.26 0.02 . 1 . . . . 589 THR MG . 17989 1 782 . 1 1 66 66 THR HG23 H 1 1.26 0.02 . 1 . . . . 589 THR MG . 17989 1 783 . 1 1 66 66 THR C C 13 176.21 0.1 . 1 . . . . 589 THR C . 17989 1 784 . 1 1 66 66 THR CA C 13 66.48 0.1 . 1 . . . . 589 THR CA . 17989 1 785 . 1 1 66 66 THR CB C 13 69.04 0.1 . 1 . . . . 589 THR CB . 17989 1 786 . 1 1 66 66 THR CG2 C 13 21.55 0.1 . 1 . . . . 589 THR CG2 . 17989 1 787 . 1 1 66 66 THR N N 15 115.27 0.1 . 1 . . . . 589 THR N . 17989 1 788 . 1 1 67 67 GLN H H 1 7.40 0.02 . 1 . . . . 590 GLN H . 17989 1 789 . 1 1 67 67 GLN HA H 1 4.03 0.02 . 1 . . . . 590 GLN HA . 17989 1 790 . 1 1 67 67 GLN HB2 H 1 2.23 0.02 . 2 . . . . 590 GLN HB2 . 17989 1 791 . 1 1 67 67 GLN HB3 H 1 2.15 0.02 . 2 . . . . 590 GLN HB3 . 17989 1 792 . 1 1 67 67 GLN HG2 H 1 2.58 0.02 . 2 . . . . 590 GLN HG2 . 17989 1 793 . 1 1 67 67 GLN HG3 H 1 2.28 0.02 . 2 . . . . 590 GLN HG3 . 17989 1 794 . 1 1 67 67 GLN HE21 H 1 6.75 0.02 . 2 . . . . 590 GLN HE21 . 17989 1 795 . 1 1 67 67 GLN HE22 H 1 7.27 0.02 . 2 . . . . 590 GLN HE22 . 17989 1 796 . 1 1 67 67 GLN C C 13 178.20 0.1 . 1 . . . . 590 GLN C . 17989 1 797 . 1 1 67 67 GLN CA C 13 59.55 0.1 . 1 . . . . 590 GLN CA . 17989 1 798 . 1 1 67 67 GLN CB C 13 28.80 0.1 . 1 . . . . 590 GLN CB . 17989 1 799 . 1 1 67 67 GLN CG C 13 34.42 0.1 . 1 . . . . 590 GLN CG . 17989 1 800 . 1 1 67 67 GLN N N 15 121.50 0.1 . 1 . . . . 590 GLN N . 17989 1 801 . 1 1 67 67 GLN NE2 N 15 109.83 0.1 . 1 . . . . 590 GLN NE2 . 17989 1 802 . 1 1 68 68 VAL H H 1 7.43 0.02 . 1 . . . . 591 VAL H . 17989 1 803 . 1 1 68 68 VAL HA H 1 2.17 0.02 . 1 . . . . 591 VAL HA . 17989 1 804 . 1 1 68 68 VAL HB H 1 1.64 0.02 . 1 . . . . 591 VAL HB . 17989 1 805 . 1 1 68 68 VAL HG11 H 1 0.54 0.02 . 2 . . . . 591 VAL MG1 . 17989 1 806 . 1 1 68 68 VAL HG12 H 1 0.54 0.02 . 2 . . . . 591 VAL MG1 . 17989 1 807 . 1 1 68 68 VAL HG13 H 1 0.54 0.02 . 2 . . . . 591 VAL MG1 . 17989 1 808 . 1 1 68 68 VAL HG21 H 1 0.56 0.02 . 2 . . . . 591 VAL MG2 . 17989 1 809 . 1 1 68 68 VAL HG22 H 1 0.56 0.02 . 2 . . . . 591 VAL MG2 . 17989 1 810 . 1 1 68 68 VAL HG23 H 1 0.56 0.02 . 2 . . . . 591 VAL MG2 . 17989 1 811 . 1 1 68 68 VAL C C 13 175.35 0.1 . 1 . . . . 591 VAL C . 17989 1 812 . 1 1 68 68 VAL CA C 13 63.64 0.1 . 1 . . . . 591 VAL CA . 17989 1 813 . 1 1 68 68 VAL CB C 13 31.26 0.1 . 1 . . . . 591 VAL CB . 17989 1 814 . 1 1 68 68 VAL CG1 C 13 21.17 0.1 . 2 . . . . 591 VAL CG1 . 17989 1 815 . 1 1 68 68 VAL CG2 C 13 22.73 0.1 . 2 . . . . 591 VAL CG2 . 17989 1 816 . 1 1 68 68 VAL N N 15 117.23 0.1 . 1 . . . . 591 VAL N . 17989 1 817 . 1 1 69 69 ALA H H 1 7.26 0.02 . 1 . . . . 592 ALA H . 17989 1 818 . 1 1 69 69 ALA HA H 1 4.17 0.02 . 1 . . . . 592 ALA HA . 17989 1 819 . 1 1 69 69 ALA HB1 H 1 1.41 0.02 . 1 . . . . 592 ALA MB . 17989 1 820 . 1 1 69 69 ALA HB2 H 1 1.41 0.02 . 1 . . . . 592 ALA MB . 17989 1 821 . 1 1 69 69 ALA HB3 H 1 1.41 0.02 . 1 . . . . 592 ALA MB . 17989 1 822 . 1 1 69 69 ALA C C 13 177.85 0.1 . 1 . . . . 592 ALA C . 17989 1 823 . 1 1 69 69 ALA CA C 13 52.20 0.1 . 1 . . . . 592 ALA CA . 17989 1 824 . 1 1 69 69 ALA CB C 13 19.04 0.1 . 1 . . . . 592 ALA CB . 17989 1 825 . 1 1 69 69 ALA N N 15 118.22 0.1 . 1 . . . . 592 ALA N . 17989 1 826 . 1 1 70 70 ASP H H 1 7.13 0.02 . 1 . . . . 593 ASP H . 17989 1 827 . 1 1 70 70 ASP HA H 1 4.43 0.02 . 1 . . . . 593 ASP HA . 17989 1 828 . 1 1 70 70 ASP HB2 H 1 2.80 0.02 . 1 . . . . 593 ASP HB2 . 17989 1 829 . 1 1 70 70 ASP HB3 H 1 2.80 0.02 . 1 . . . . 593 ASP HB3 . 17989 1 830 . 1 1 70 70 ASP C C 13 177.89 0.1 . 1 . . . . 593 ASP C . 17989 1 831 . 1 1 70 70 ASP CA C 13 55.26 0.1 . 1 . . . . 593 ASP CA . 17989 1 832 . 1 1 70 70 ASP CB C 13 43.83 0.1 . 1 . . . . 593 ASP CB . 17989 1 833 . 1 1 70 70 ASP N N 15 120.29 0.1 . 1 . . . . 593 ASP N . 17989 1 834 . 1 1 71 71 ALA H H 1 8.90 0.02 . 1 . . . . 594 ALA H . 17989 1 835 . 1 1 71 71 ALA HA H 1 4.26 0.02 . 1 . . . . 594 ALA HA . 17989 1 836 . 1 1 71 71 ALA HB1 H 1 1.56 0.02 . 1 . . . . 594 ALA MB . 17989 1 837 . 1 1 71 71 ALA HB2 H 1 1.56 0.02 . 1 . . . . 594 ALA MB . 17989 1 838 . 1 1 71 71 ALA HB3 H 1 1.56 0.02 . 1 . . . . 594 ALA MB . 17989 1 839 . 1 1 71 71 ALA C C 13 179.61 0.1 . 1 . . . . 594 ALA C . 17989 1 840 . 1 1 71 71 ALA CA C 13 55.36 0.1 . 1 . . . . 594 ALA CA . 17989 1 841 . 1 1 71 71 ALA CB C 13 18.66 0.1 . 1 . . . . 594 ALA CB . 17989 1 842 . 1 1 71 71 ALA N N 15 129.52 0.1 . 1 . . . . 594 ALA N . 17989 1 843 . 1 1 72 72 SER H H 1 8.94 0.02 . 1 . . . . 595 SER H . 17989 1 844 . 1 1 72 72 SER HA H 1 4.61 0.02 . 1 . . . . 595 SER HA . 17989 1 845 . 1 1 72 72 SER HB2 H 1 3.99 0.02 . 1 . . . . 595 SER HB2 . 17989 1 846 . 1 1 72 72 SER HB3 H 1 3.99 0.02 . 1 . . . . 595 SER HB3 . 17989 1 847 . 1 1 72 72 SER C C 13 176.65 0.1 . 1 . . . . 595 SER C . 17989 1 848 . 1 1 72 72 SER CA C 13 59.25 0.1 . 1 . . . . 595 SER CA . 17989 1 849 . 1 1 72 72 SER CB C 13 64.00 0.1 . 1 . . . . 595 SER CB . 17989 1 850 . 1 1 72 72 SER N N 15 112.84 0.1 . 1 . . . . 595 SER N . 17989 1 851 . 1 1 73 73 PHE H H 1 8.30 0.02 . 1 . . . . 596 PHE H . 17989 1 852 . 1 1 73 73 PHE HA H 1 4.19 0.02 . 1 . . . . 596 PHE HA . 17989 1 853 . 1 1 73 73 PHE HB2 H 1 3.58 0.02 . 2 . . . . 596 PHE HB2 . 17989 1 854 . 1 1 73 73 PHE HB3 H 1 2.76 0.02 . 2 . . . . 596 PHE HB3 . 17989 1 855 . 1 1 73 73 PHE HD1 H 1 6.51 0.02 . 3 . . . . 596 PHE HD1 . 17989 1 856 . 1 1 73 73 PHE HD2 H 1 6.51 0.02 . 3 . . . . 596 PHE HD2 . 17989 1 857 . 1 1 73 73 PHE HE1 H 1 6.92 0.02 . 3 . . . . 596 PHE HE1 . 17989 1 858 . 1 1 73 73 PHE HE2 H 1 6.92 0.02 . 3 . . . . 596 PHE HE2 . 17989 1 859 . 1 1 73 73 PHE HZ H 1 7.18 0.02 . 1 . . . . 596 PHE HZ . 17989 1 860 . 1 1 73 73 PHE C C 13 177.07 0.1 . 1 . . . . 596 PHE C . 17989 1 861 . 1 1 73 73 PHE CA C 13 62.44 0.1 . 1 . . . . 596 PHE CA . 17989 1 862 . 1 1 73 73 PHE CB C 13 39.94 0.1 . 1 . . . . 596 PHE CB . 17989 1 863 . 1 1 73 73 PHE CD1 C 13 132.82 0.1 . 3 . . . . 596 PHE CD1 . 17989 1 864 . 1 1 73 73 PHE CD2 C 13 132.82 0.1 . 3 . . . . 596 PHE CD2 . 17989 1 865 . 1 1 73 73 PHE CE1 C 13 130.25 0.1 . 3 . . . . 596 PHE CE1 . 17989 1 866 . 1 1 73 73 PHE CE2 C 13 130.25 0.1 . 3 . . . . 596 PHE CE2 . 17989 1 867 . 1 1 73 73 PHE CZ C 13 133.23 0.1 . 1 . . . . 596 PHE CZ . 17989 1 868 . 1 1 73 73 PHE N N 15 125.94 0.1 . 1 . . . . 596 PHE N . 17989 1 869 . 1 1 74 74 PHE H H 1 8.29 0.02 . 1 . . . . 597 PHE H . 17989 1 870 . 1 1 74 74 PHE HA H 1 4.38 0.02 . 1 . . . . 597 PHE HA . 17989 1 871 . 1 1 74 74 PHE HB2 H 1 3.55 0.02 . 2 . . . . 597 PHE HB2 . 17989 1 872 . 1 1 74 74 PHE HB3 H 1 3.01 0.02 . 2 . . . . 597 PHE HB3 . 17989 1 873 . 1 1 74 74 PHE HD1 H 1 7.55 0.02 . 3 . . . . 597 PHE HD1 . 17989 1 874 . 1 1 74 74 PHE HD2 H 1 7.55 0.02 . 3 . . . . 597 PHE HD2 . 17989 1 875 . 1 1 74 74 PHE HE1 H 1 7.55 0.02 . 3 . . . . 597 PHE HE1 . 17989 1 876 . 1 1 74 74 PHE HE2 H 1 7.55 0.02 . 3 . . . . 597 PHE HE2 . 17989 1 877 . 1 1 74 74 PHE HZ H 1 7.48 0.02 . 1 . . . . 597 PHE HZ . 17989 1 878 . 1 1 74 74 PHE C C 13 176.02 0.1 . 1 . . . . 597 PHE C . 17989 1 879 . 1 1 74 74 PHE CA C 13 60.39 0.1 . 1 . . . . 597 PHE CA . 17989 1 880 . 1 1 74 74 PHE CB C 13 37.63 0.1 . 1 . . . . 597 PHE CB . 17989 1 881 . 1 1 74 74 PHE CD1 C 13 131.96 0.1 . 3 . . . . 597 PHE CD1 . 17989 1 882 . 1 1 74 74 PHE CD2 C 13 131.96 0.1 . 3 . . . . 597 PHE CD2 . 17989 1 883 . 1 1 74 74 PHE CE1 C 13 131.91 0.1 . 3 . . . . 597 PHE CE1 . 17989 1 884 . 1 1 74 74 PHE CE2 C 13 131.91 0.1 . 3 . . . . 597 PHE CE2 . 17989 1 885 . 1 1 74 74 PHE CZ C 13 129.76 0.1 . 1 . . . . 597 PHE CZ . 17989 1 886 . 1 1 74 74 PHE N N 15 111.44 0.1 . 1 . . . . 597 PHE N . 17989 1 887 . 1 1 75 75 SER H H 1 7.82 0.02 . 1 . . . . 598 SER H . 17989 1 888 . 1 1 75 75 SER HA H 1 4.59 0.02 . 1 . . . . 598 SER HA . 17989 1 889 . 1 1 75 75 SER HB2 H 1 3.99 0.02 . 1 . . . . 598 SER HB2 . 17989 1 890 . 1 1 75 75 SER HB3 H 1 3.99 0.02 . 1 . . . . 598 SER HB3 . 17989 1 891 . 1 1 75 75 SER C C 13 174.58 0.1 . 1 . . . . 598 SER C . 17989 1 892 . 1 1 75 75 SER CA C 13 58.87 0.1 . 1 . . . . 598 SER CA . 17989 1 893 . 1 1 75 75 SER CB C 13 63.69 0.1 . 1 . . . . 598 SER CB . 17989 1 894 . 1 1 75 75 SER N N 15 114.52 0.1 . 1 . . . . 598 SER N . 17989 1 895 . 1 1 76 76 GLN H H 1 7.20 0.02 . 1 . . . . 599 GLN H . 17989 1 896 . 1 1 76 76 GLN HA H 1 4.48 0.02 . 1 . . . . 599 GLN HA . 17989 1 897 . 1 1 76 76 GLN HB2 H 1 1.99 0.02 . 2 . . . . 599 GLN HB2 . 17989 1 898 . 1 1 76 76 GLN HB3 H 1 1.76 0.02 . 2 . . . . 599 GLN HB3 . 17989 1 899 . 1 1 76 76 GLN HG2 H 1 2.44 0.02 . 2 . . . . 599 GLN HG2 . 17989 1 900 . 1 1 76 76 GLN HG3 H 1 2.28 0.02 . 2 . . . . 599 GLN HG3 . 17989 1 901 . 1 1 76 76 GLN HE21 H 1 7.08 0.02 . 2 . . . . 599 GLN HE21 . 17989 1 902 . 1 1 76 76 GLN HE22 H 1 6.65 0.02 . 2 . . . . 599 GLN HE22 . 17989 1 903 . 1 1 76 76 GLN C C 13 172.70 0.1 . 1 . . . . 599 GLN C . 17989 1 904 . 1 1 76 76 GLN CA C 13 54.55 0.1 . 1 . . . . 599 GLN CA . 17989 1 905 . 1 1 76 76 GLN CB C 13 28.26 0.1 . 1 . . . . 599 GLN CB . 17989 1 906 . 1 1 76 76 GLN CG C 13 34.63 0.1 . 1 . . . . 599 GLN CG . 17989 1 907 . 1 1 76 76 GLN N N 15 121.11 0.1 . 1 . . . . 599 GLN N . 17989 1 908 . 1 1 76 76 GLN NE2 N 15 110.66 0.1 . 1 . . . . 599 GLN NE2 . 17989 1 909 . 1 1 77 77 PRO HA H 1 4.44 0.02 . 1 . . . . 600 PRO HA . 17989 1 910 . 1 1 77 77 PRO HB2 H 1 2.55 0.02 . 2 . . . . 600 PRO HB2 . 17989 1 911 . 1 1 77 77 PRO HB3 H 1 1.91 0.02 . 2 . . . . 600 PRO HB3 . 17989 1 912 . 1 1 77 77 PRO HG2 H 1 2.12 0.02 . 2 . . . . 600 PRO HG2 . 17989 1 913 . 1 1 77 77 PRO HG3 H 1 2.07 0.02 . 2 . . . . 600 PRO HG3 . 17989 1 914 . 1 1 77 77 PRO HD2 H 1 3.87 0.02 . 2 . . . . 600 PRO HD2 . 17989 1 915 . 1 1 77 77 PRO HD3 H 1 3.53 0.02 . 2 . . . . 600 PRO HD3 . 17989 1 916 . 1 1 77 77 PRO C C 13 177.69 0.1 . 1 . . . . 600 PRO C . 17989 1 917 . 1 1 77 77 PRO CA C 13 63.37 0.1 . 1 . . . . 600 PRO CA . 17989 1 918 . 1 1 77 77 PRO CB C 13 32.64 0.1 . 1 . . . . 600 PRO CB . 17989 1 919 . 1 1 77 77 PRO CG C 13 28.23 0.1 . 1 . . . . 600 PRO CG . 17989 1 920 . 1 1 77 77 PRO CD C 13 51.25 0.1 . 1 . . . . 600 PRO CD . 17989 1 921 . 1 1 78 78 HIS H H 1 8.81 0.02 . 1 . . . . 601 HIS H . 17989 1 922 . 1 1 78 78 HIS HA H 1 4.47 0.02 . 1 . . . . 601 HIS HA . 17989 1 923 . 1 1 78 78 HIS HB2 H 1 3.25 0.02 . 2 . . . . 601 HIS HB2 . 17989 1 924 . 1 1 78 78 HIS HB3 H 1 3.06 0.02 . 2 . . . . 601 HIS HB3 . 17989 1 925 . 1 1 78 78 HIS HD2 H 1 7.06 0.02 . 1 . . . . 601 HIS HD2 . 17989 1 926 . 1 1 78 78 HIS HE1 H 1 7.79 0.02 . 1 . . . . 601 HIS HE1 . 17989 1 927 . 1 1 78 78 HIS C C 13 176.94 0.1 . 1 . . . . 601 HIS C . 17989 1 928 . 1 1 78 78 HIS CA C 13 59.53 0.1 . 1 . . . . 601 HIS CA . 17989 1 929 . 1 1 78 78 HIS CB C 13 30.82 0.1 . 1 . . . . 601 HIS CB . 17989 1 930 . 1 1 78 78 HIS CD2 C 13 119.76 0.1 . 1 . . . . 601 HIS CD2 . 17989 1 931 . 1 1 78 78 HIS CE1 C 13 138.54 0.1 . 1 . . . . 601 HIS CE1 . 17989 1 932 . 1 1 78 78 HIS N N 15 124.13 0.1 . 1 . . . . 601 HIS N . 17989 1 933 . 1 1 79 79 GLU H H 1 9.25 0.02 . 1 . . . . 602 GLU H . 17989 1 934 . 1 1 79 79 GLU HA H 1 3.94 0.02 . 1 . . . . 602 GLU HA . 17989 1 935 . 1 1 79 79 GLU HB2 H 1 2.02 0.02 . 1 . . . . 602 GLU HB2 . 17989 1 936 . 1 1 79 79 GLU HB3 H 1 2.02 0.02 . 1 . . . . 602 GLU HB3 . 17989 1 937 . 1 1 79 79 GLU HG2 H 1 2.33 0.02 . 1 . . . . 602 GLU HG2 . 17989 1 938 . 1 1 79 79 GLU HG3 H 1 2.33 0.02 . 1 . . . . 602 GLU HG3 . 17989 1 939 . 1 1 79 79 GLU C C 13 179.05 0.1 . 1 . . . . 602 GLU C . 17989 1 940 . 1 1 79 79 GLU CA C 13 59.75 0.1 . 1 . . . . 602 GLU CA . 17989 1 941 . 1 1 79 79 GLU CB C 13 28.81 0.1 . 1 . . . . 602 GLU CB . 17989 1 942 . 1 1 79 79 GLU CG C 13 36.33 0.1 . 1 . . . . 602 GLU CG . 17989 1 943 . 1 1 79 79 GLU N N 15 116.71 0.1 . 1 . . . . 602 GLU N . 17989 1 944 . 1 1 80 80 GLN H H 1 7.40 0.02 . 1 . . . . 603 GLN H . 17989 1 945 . 1 1 80 80 GLN HA H 1 4.28 0.02 . 1 . . . . 603 GLN HA . 17989 1 946 . 1 1 80 80 GLN HB2 H 1 2.10 0.02 . 1 . . . . 603 GLN HB2 . 17989 1 947 . 1 1 80 80 GLN HB3 H 1 2.10 0.02 . 1 . . . . 603 GLN HB3 . 17989 1 948 . 1 1 80 80 GLN HG2 H 1 2.39 0.02 . 2 . . . . 603 GLN HG2 . 17989 1 949 . 1 1 80 80 GLN HG3 H 1 2.34 0.02 . 2 . . . . 603 GLN HG3 . 17989 1 950 . 1 1 80 80 GLN HE21 H 1 6.82 0.02 . 2 . . . . 603 GLN HE21 . 17989 1 951 . 1 1 80 80 GLN HE22 H 1 7.48 0.02 . 2 . . . . 603 GLN HE22 . 17989 1 952 . 1 1 80 80 GLN C C 13 178.48 0.1 . 1 . . . . 603 GLN C . 17989 1 953 . 1 1 80 80 GLN CA C 13 57.99 0.1 . 1 . . . . 603 GLN CA . 17989 1 954 . 1 1 80 80 GLN CB C 13 28.89 0.1 . 1 . . . . 603 GLN CB . 17989 1 955 . 1 1 80 80 GLN CG C 13 33.51 0.1 . 1 . . . . 603 GLN CG . 17989 1 956 . 1 1 80 80 GLN N N 15 117.34 0.1 . 1 . . . . 603 GLN N . 17989 1 957 . 1 1 80 80 GLN NE2 N 15 111.12 0.1 . 1 . . . . 603 GLN NE2 . 17989 1 958 . 1 1 81 81 THR H H 1 7.98 0.02 . 1 . . . . 604 THR H . 17989 1 959 . 1 1 81 81 THR HA H 1 3.75 0.02 . 1 . . . . 604 THR HA . 17989 1 960 . 1 1 81 81 THR HB H 1 3.87 0.02 . 1 . . . . 604 THR HB . 17989 1 961 . 1 1 81 81 THR HG21 H 1 0.45 0.02 . 1 . . . . 604 THR MG . 17989 1 962 . 1 1 81 81 THR HG22 H 1 0.45 0.02 . 1 . . . . 604 THR MG . 17989 1 963 . 1 1 81 81 THR HG23 H 1 0.45 0.02 . 1 . . . . 604 THR MG . 17989 1 964 . 1 1 81 81 THR C C 13 177.35 0.1 . 1 . . . . 604 THR C . 17989 1 965 . 1 1 81 81 THR CA C 13 65.01 0.1 . 1 . . . . 604 THR CA . 17989 1 966 . 1 1 81 81 THR CB C 13 68.34 0.1 . 1 . . . . 604 THR CB . 17989 1 967 . 1 1 81 81 THR CG2 C 13 22.53 0.1 . 1 . . . . 604 THR CG2 . 17989 1 968 . 1 1 81 81 THR N N 15 112.57 0.1 . 1 . . . . 604 THR N . 17989 1 969 . 1 1 82 82 GLN H H 1 8.38 0.02 . 1 . . . . 605 GLN H . 17989 1 970 . 1 1 82 82 GLN HA H 1 3.98 0.02 . 1 . . . . 605 GLN HA . 17989 1 971 . 1 1 82 82 GLN HB2 H 1 1.97 0.02 . 1 . . . . 605 GLN HB2 . 17989 1 972 . 1 1 82 82 GLN HB3 H 1 1.97 0.02 . 1 . . . . 605 GLN HB3 . 17989 1 973 . 1 1 82 82 GLN HG2 H 1 2.19 0.02 . 1 . . . . 605 GLN HG2 . 17989 1 974 . 1 1 82 82 GLN HG3 H 1 2.19 0.02 . 1 . . . . 605 GLN HG3 . 17989 1 975 . 1 1 82 82 GLN HE21 H 1 7.49 0.02 . 2 . . . . 605 GLN HE21 . 17989 1 976 . 1 1 82 82 GLN HE22 H 1 6.91 0.02 . 2 . . . . 605 GLN HE22 . 17989 1 977 . 1 1 82 82 GLN C C 13 178.70 0.1 . 1 . . . . 605 GLN C . 17989 1 978 . 1 1 82 82 GLN CA C 13 58.83 0.1 . 1 . . . . 605 GLN CA . 17989 1 979 . 1 1 82 82 GLN CB C 13 28.42 0.1 . 1 . . . . 605 GLN CB . 17989 1 980 . 1 1 82 82 GLN CG C 13 33.92 0.1 . 1 . . . . 605 GLN CG . 17989 1 981 . 1 1 82 82 GLN N N 15 119.40 0.1 . 1 . . . . 605 GLN N . 17989 1 982 . 1 1 82 82 GLN NE2 N 15 112.71 0.1 . 1 . . . . 605 GLN NE2 . 17989 1 983 . 1 1 83 83 LYS H H 1 7.16 0.02 . 1 . . . . 606 LYS H . 17989 1 984 . 1 1 83 83 LYS HA H 1 4.16 0.02 . 1 . . . . 606 LYS HA . 17989 1 985 . 1 1 83 83 LYS HB2 H 1 2.05 0.02 . 2 . . . . 606 LYS HB2 . 17989 1 986 . 1 1 83 83 LYS HB3 H 1 1.98 0.02 . 2 . . . . 606 LYS HB3 . 17989 1 987 . 1 1 83 83 LYS HG2 H 1 1.55 0.02 . 2 . . . . 606 LYS HG2 . 17989 1 988 . 1 1 83 83 LYS HG3 H 1 1.49 0.02 . 2 . . . . 606 LYS HG3 . 17989 1 989 . 1 1 83 83 LYS HD2 H 1 1.78 0.02 . 2 . . . . 606 LYS HD2 . 17989 1 990 . 1 1 83 83 LYS HD3 H 1 1.67 0.02 . 2 . . . . 606 LYS HD3 . 17989 1 991 . 1 1 83 83 LYS HE2 H 1 3.03 0.02 . 1 . . . . 606 LYS HE2 . 17989 1 992 . 1 1 83 83 LYS HE3 H 1 3.03 0.02 . 1 . . . . 606 LYS HE3 . 17989 1 993 . 1 1 83 83 LYS C C 13 177.91 0.1 . 1 . . . . 606 LYS C . 17989 1 994 . 1 1 83 83 LYS CA C 13 59.38 0.1 . 1 . . . . 606 LYS CA . 17989 1 995 . 1 1 83 83 LYS CB C 13 32.37 0.1 . 1 . . . . 606 LYS CB . 17989 1 996 . 1 1 83 83 LYS CG C 13 24.96 0.1 . 1 . . . . 606 LYS CG . 17989 1 997 . 1 1 83 83 LYS CD C 13 28.72 0.1 . 1 . . . . 606 LYS CD . 17989 1 998 . 1 1 83 83 LYS CE C 13 42.25 0.1 . 1 . . . . 606 LYS CE . 17989 1 999 . 1 1 83 83 LYS N N 15 120.22 0.1 . 1 . . . . 606 LYS N . 17989 1 1000 . 1 1 84 84 VAL H H 1 7.65 0.02 . 1 . . . . 607 VAL H . 17989 1 1001 . 1 1 84 84 VAL HA H 1 3.80 0.02 . 1 . . . . 607 VAL HA . 17989 1 1002 . 1 1 84 84 VAL HB H 1 2.28 0.02 . 1 . . . . 607 VAL HB . 17989 1 1003 . 1 1 84 84 VAL HG11 H 1 0.89 0.02 . 2 . . . . 607 VAL MG1 . 17989 1 1004 . 1 1 84 84 VAL HG12 H 1 0.89 0.02 . 2 . . . . 607 VAL MG1 . 17989 1 1005 . 1 1 84 84 VAL HG13 H 1 0.89 0.02 . 2 . . . . 607 VAL MG1 . 17989 1 1006 . 1 1 84 84 VAL HG21 H 1 1.24 0.02 . 2 . . . . 607 VAL MG2 . 17989 1 1007 . 1 1 84 84 VAL HG22 H 1 1.24 0.02 . 2 . . . . 607 VAL MG2 . 17989 1 1008 . 1 1 84 84 VAL HG23 H 1 1.24 0.02 . 2 . . . . 607 VAL MG2 . 17989 1 1009 . 1 1 84 84 VAL C C 13 178.50 0.1 . 1 . . . . 607 VAL C . 17989 1 1010 . 1 1 84 84 VAL CA C 13 66.81 0.1 . 1 . . . . 607 VAL CA . 17989 1 1011 . 1 1 84 84 VAL CB C 13 32.10 0.1 . 1 . . . . 607 VAL CB . 17989 1 1012 . 1 1 84 84 VAL CG1 C 13 22.03 0.1 . 2 . . . . 607 VAL CG1 . 17989 1 1013 . 1 1 84 84 VAL CG2 C 13 22.76 0.1 . 2 . . . . 607 VAL CG2 . 17989 1 1014 . 1 1 84 84 VAL N N 15 119.84 0.1 . 1 . . . . 607 VAL N . 17989 1 1015 . 1 1 85 85 LEU H H 1 8.31 0.02 . 1 . . . . 608 LEU H . 17989 1 1016 . 1 1 85 85 LEU HA H 1 4.05 0.02 . 1 . . . . 608 LEU HA . 17989 1 1017 . 1 1 85 85 LEU HB2 H 1 1.99 0.02 . 2 . . . . 608 LEU HB2 . 17989 1 1018 . 1 1 85 85 LEU HB3 H 1 1.54 0.02 . 2 . . . . 608 LEU HB3 . 17989 1 1019 . 1 1 85 85 LEU HG H 1 2.08 0.02 . 1 . . . . 608 LEU HG . 17989 1 1020 . 1 1 85 85 LEU HD11 H 1 1.13 0.02 . 2 . . . . 608 LEU MD1 . 17989 1 1021 . 1 1 85 85 LEU HD12 H 1 1.13 0.02 . 2 . . . . 608 LEU MD1 . 17989 1 1022 . 1 1 85 85 LEU HD13 H 1 1.13 0.02 . 2 . . . . 608 LEU MD1 . 17989 1 1023 . 1 1 85 85 LEU HD21 H 1 1.03 0.02 . 2 . . . . 608 LEU MD2 . 17989 1 1024 . 1 1 85 85 LEU HD22 H 1 1.03 0.02 . 2 . . . . 608 LEU MD2 . 17989 1 1025 . 1 1 85 85 LEU HD23 H 1 1.03 0.02 . 2 . . . . 608 LEU MD2 . 17989 1 1026 . 1 1 85 85 LEU C C 13 180.56 0.1 . 1 . . . . 608 LEU C . 17989 1 1027 . 1 1 85 85 LEU CA C 13 58.51 0.1 . 1 . . . . 608 LEU CA . 17989 1 1028 . 1 1 85 85 LEU CB C 13 41.32 0.1 . 1 . . . . 608 LEU CB . 17989 1 1029 . 1 1 85 85 LEU CG C 13 27.65 0.1 . 1 . . . . 608 LEU CG . 17989 1 1030 . 1 1 85 85 LEU CD1 C 13 25.74 0.1 . 2 . . . . 608 LEU CD1 . 17989 1 1031 . 1 1 85 85 LEU CD2 C 13 23.17 0.1 . 2 . . . . 608 LEU CD2 . 17989 1 1032 . 1 1 85 85 LEU N N 15 118.29 0.1 . 1 . . . . 608 LEU N . 17989 1 1033 . 1 1 86 86 ALA H H 1 8.18 0.02 . 1 . . . . 609 ALA H . 17989 1 1034 . 1 1 86 86 ALA HA H 1 4.28 0.02 . 1 . . . . 609 ALA HA . 17989 1 1035 . 1 1 86 86 ALA HB1 H 1 1.58 0.02 . 1 . . . . 609 ALA MB . 17989 1 1036 . 1 1 86 86 ALA HB2 H 1 1.58 0.02 . 1 . . . . 609 ALA MB . 17989 1 1037 . 1 1 86 86 ALA HB3 H 1 1.58 0.02 . 1 . . . . 609 ALA MB . 17989 1 1038 . 1 1 86 86 ALA C C 13 181.12 0.1 . 1 . . . . 609 ALA C . 17989 1 1039 . 1 1 86 86 ALA CA C 13 55.23 0.1 . 1 . . . . 609 ALA CA . 17989 1 1040 . 1 1 86 86 ALA CB C 13 17.88 0.1 . 1 . . . . 609 ALA CB . 17989 1 1041 . 1 1 86 86 ALA N N 15 124.09 0.1 . 1 . . . . 609 ALA N . 17989 1 1042 . 1 1 87 87 ASP H H 1 8.78 0.02 . 1 . . . . 610 ASP H . 17989 1 1043 . 1 1 87 87 ASP HA H 1 4.48 0.02 . 1 . . . . 610 ASP HA . 17989 1 1044 . 1 1 87 87 ASP HB2 H 1 3.05 0.02 . 2 . . . . 610 ASP HB2 . 17989 1 1045 . 1 1 87 87 ASP HB3 H 1 2.59 0.02 . 2 . . . . 610 ASP HB3 . 17989 1 1046 . 1 1 87 87 ASP C C 13 179.63 0.1 . 1 . . . . 610 ASP C . 17989 1 1047 . 1 1 87 87 ASP CA C 13 57.33 0.1 . 1 . . . . 610 ASP CA . 17989 1 1048 . 1 1 87 87 ASP CB C 13 39.77 0.1 . 1 . . . . 610 ASP CB . 17989 1 1049 . 1 1 87 87 ASP N N 15 122.86 0.1 . 1 . . . . 610 ASP N . 17989 1 1050 . 1 1 88 88 MET H H 1 8.95 0.02 . 1 . . . . 611 MET H . 17989 1 1051 . 1 1 88 88 MET HA H 1 3.96 0.02 . 1 . . . . 611 MET HA . 17989 1 1052 . 1 1 88 88 MET HB2 H 1 2.48 0.02 . 2 . . . . 611 MET HB2 . 17989 1 1053 . 1 1 88 88 MET HB3 H 1 1.97 0.02 . 2 . . . . 611 MET HB3 . 17989 1 1054 . 1 1 88 88 MET HG2 H 1 2.50 0.02 . 2 . . . . 611 MET HG2 . 17989 1 1055 . 1 1 88 88 MET HG3 H 1 2.30 0.02 . 2 . . . . 611 MET HG3 . 17989 1 1056 . 1 1 88 88 MET HE1 H 1 2.09 0.02 . 1 . . . . 611 MET ME . 17989 1 1057 . 1 1 88 88 MET HE2 H 1 2.09 0.02 . 1 . . . . 611 MET ME . 17989 1 1058 . 1 1 88 88 MET HE3 H 1 2.09 0.02 . 1 . . . . 611 MET ME . 17989 1 1059 . 1 1 88 88 MET C C 13 176.94 0.1 . 1 . . . . 611 MET C . 17989 1 1060 . 1 1 88 88 MET CA C 13 60.15 0.1 . 1 . . . . 611 MET CA . 17989 1 1061 . 1 1 88 88 MET CB C 13 33.70 0.1 . 1 . . . . 611 MET CB . 17989 1 1062 . 1 1 88 88 MET CG C 13 31.76 0.1 . 1 . . . . 611 MET CG . 17989 1 1063 . 1 1 88 88 MET CE C 13 17.35 0.1 . 1 . . . . 611 MET CE . 17989 1 1064 . 1 1 88 88 MET N N 15 123.10 0.1 . 1 . . . . 611 MET N . 17989 1 1065 . 1 1 89 89 ALA H H 1 7.98 0.02 . 1 . . . . 612 ALA H . 17989 1 1066 . 1 1 89 89 ALA HA H 1 4.30 0.02 . 1 . . . . 612 ALA HA . 17989 1 1067 . 1 1 89 89 ALA HB1 H 1 1.57 0.02 . 1 . . . . 612 ALA MB . 17989 1 1068 . 1 1 89 89 ALA HB2 H 1 1.57 0.02 . 1 . . . . 612 ALA MB . 17989 1 1069 . 1 1 89 89 ALA HB3 H 1 1.57 0.02 . 1 . . . . 612 ALA MB . 17989 1 1070 . 1 1 89 89 ALA C C 13 180.96 0.1 . 1 . . . . 612 ALA C . 17989 1 1071 . 1 1 89 89 ALA CA C 13 55.16 0.1 . 1 . . . . 612 ALA CA . 17989 1 1072 . 1 1 89 89 ALA CB C 13 17.88 0.1 . 1 . . . . 612 ALA CB . 17989 1 1073 . 1 1 89 89 ALA N N 15 121.88 0.1 . 1 . . . . 612 ALA N . 17989 1 1074 . 1 1 90 90 ALA H H 1 8.09 0.02 . 1 . . . . 613 ALA H . 17989 1 1075 . 1 1 90 90 ALA HA H 1 4.21 0.02 . 1 . . . . 613 ALA HA . 17989 1 1076 . 1 1 90 90 ALA HB1 H 1 1.57 0.02 . 1 . . . . 613 ALA MB . 17989 1 1077 . 1 1 90 90 ALA HB2 H 1 1.57 0.02 . 1 . . . . 613 ALA MB . 17989 1 1078 . 1 1 90 90 ALA HB3 H 1 1.57 0.02 . 1 . . . . 613 ALA MB . 17989 1 1079 . 1 1 90 90 ALA C C 13 180.08 0.1 . 1 . . . . 613 ALA C . 17989 1 1080 . 1 1 90 90 ALA CA C 13 55.04 0.1 . 1 . . . . 613 ALA CA . 17989 1 1081 . 1 1 90 90 ALA CB C 13 17.97 0.1 . 1 . . . . 613 ALA CB . 17989 1 1082 . 1 1 90 90 ALA N N 15 120.71 0.1 . 1 . . . . 613 ALA N . 17989 1 1083 . 1 1 91 91 ALA H H 1 8.27 0.02 . 1 . . . . 614 ALA H . 17989 1 1084 . 1 1 91 91 ALA HA H 1 4.27 0.02 . 1 . . . . 614 ALA HA . 17989 1 1085 . 1 1 91 91 ALA HB1 H 1 1.52 0.02 . 1 . . . . 614 ALA MB . 17989 1 1086 . 1 1 91 91 ALA HB2 H 1 1.52 0.02 . 1 . . . . 614 ALA MB . 17989 1 1087 . 1 1 91 91 ALA HB3 H 1 1.52 0.02 . 1 . . . . 614 ALA MB . 17989 1 1088 . 1 1 91 91 ALA C C 13 180.22 0.1 . 1 . . . . 614 ALA C . 17989 1 1089 . 1 1 91 91 ALA CA C 13 55.07 0.1 . 1 . . . . 614 ALA CA . 17989 1 1090 . 1 1 91 91 ALA CB C 13 18.01 0.1 . 1 . . . . 614 ALA CB . 17989 1 1091 . 1 1 91 91 ALA N N 15 122.34 0.1 . 1 . . . . 614 ALA N . 17989 1 1092 . 1 1 92 92 GLU H H 1 8.48 0.02 . 1 . . . . 615 GLU H . 17989 1 1093 . 1 1 92 92 GLU HA H 1 3.98 0.02 . 1 . . . . 615 GLU HA . 17989 1 1094 . 1 1 92 92 GLU HB2 H 1 2.30 0.02 . 2 . . . . 615 GLU HB2 . 17989 1 1095 . 1 1 92 92 GLU HB3 H 1 2.12 0.02 . 2 . . . . 615 GLU HB3 . 17989 1 1096 . 1 1 92 92 GLU HG2 H 1 2.51 0.02 . 2 . . . . 615 GLU HG2 . 17989 1 1097 . 1 1 92 92 GLU HG3 H 1 2.26 0.02 . 2 . . . . 615 GLU HG3 . 17989 1 1098 . 1 1 92 92 GLU C C 13 179.23 0.1 . 1 . . . . 615 GLU C . 17989 1 1099 . 1 1 92 92 GLU CA C 13 60.19 0.1 . 1 . . . . 615 GLU CA . 17989 1 1100 . 1 1 92 92 GLU CB C 13 29.81 0.1 . 1 . . . . 615 GLU CB . 17989 1 1101 . 1 1 92 92 GLU CG C 13 37.24 0.1 . 1 . . . . 615 GLU CG . 17989 1 1102 . 1 1 92 92 GLU N N 15 119.26 0.1 . 1 . . . . 615 GLU N . 17989 1 1103 . 1 1 93 93 GLN H H 1 7.82 0.02 . 1 . . . . 616 GLN H . 17989 1 1104 . 1 1 93 93 GLN HA H 1 4.19 0.02 . 1 . . . . 616 GLN HA . 17989 1 1105 . 1 1 93 93 GLN HB2 H 1 2.23 0.02 . 1 . . . . 616 GLN HB2 . 17989 1 1106 . 1 1 93 93 GLN HB3 H 1 2.23 0.02 . 1 . . . . 616 GLN HB3 . 17989 1 1107 . 1 1 93 93 GLN HG2 H 1 2.56 0.02 . 2 . . . . 616 GLN HG2 . 17989 1 1108 . 1 1 93 93 GLN HG3 H 1 2.43 0.02 . 2 . . . . 616 GLN HG3 . 17989 1 1109 . 1 1 93 93 GLN C C 13 178.42 0.1 . 1 . . . . 616 GLN C . 17989 1 1110 . 1 1 93 93 GLN CA C 13 58.97 0.1 . 1 . . . . 616 GLN CA . 17989 1 1111 . 1 1 93 93 GLN CB C 13 28.47 0.1 . 1 . . . . 616 GLN CB . 17989 1 1112 . 1 1 93 93 GLN CG C 13 34.13 0.1 . 1 . . . . 616 GLN CG . 17989 1 1113 . 1 1 93 93 GLN N N 15 119.26 0.1 . 1 . . . . 616 GLN N . 17989 1 1114 . 1 1 94 94 GLU H H 1 8.48 0.02 . 1 . . . . 617 GLU H . 17989 1 1115 . 1 1 94 94 GLU HA H 1 3.99 0.02 . 1 . . . . 617 GLU HA . 17989 1 1116 . 1 1 94 94 GLU HB2 H 1 2.19 0.02 . 2 . . . . 617 GLU HB2 . 17989 1 1117 . 1 1 94 94 GLU HB3 H 1 2.09 0.02 . 2 . . . . 617 GLU HB3 . 17989 1 1118 . 1 1 94 94 GLU HG2 H 1 2.48 0.02 . 2 . . . . 617 GLU HG2 . 17989 1 1119 . 1 1 94 94 GLU HG3 H 1 2.25 0.02 . 2 . . . . 617 GLU HG3 . 17989 1 1120 . 1 1 94 94 GLU C C 13 179.68 0.1 . 1 . . . . 617 GLU C . 17989 1 1121 . 1 1 94 94 GLU CA C 13 59.95 0.1 . 1 . . . . 617 GLU CA . 17989 1 1122 . 1 1 94 94 GLU CB C 13 29.98 0.1 . 1 . . . . 617 GLU CB . 17989 1 1123 . 1 1 94 94 GLU CG C 13 36.97 0.1 . 1 . . . . 617 GLU CG . 17989 1 1124 . 1 1 94 94 GLU N N 15 120.75 0.1 . 1 . . . . 617 GLU N . 17989 1 1125 . 1 1 95 95 LEU H H 1 8.14 0.02 . 1 . . . . 618 LEU H . 17989 1 1126 . 1 1 95 95 LEU HA H 1 4.12 0.02 . 1 . . . . 618 LEU HA . 17989 1 1127 . 1 1 95 95 LEU HB2 H 1 2.09 0.02 . 2 . . . . 618 LEU HB2 . 17989 1 1128 . 1 1 95 95 LEU HB3 H 1 1.46 0.02 . 2 . . . . 618 LEU HB3 . 17989 1 1129 . 1 1 95 95 LEU HG H 1 1.65 0.02 . 1 . . . . 618 LEU HG . 17989 1 1130 . 1 1 95 95 LEU HD11 H 1 0.95 0.02 . 2 . . . . 618 LEU MD1 . 17989 1 1131 . 1 1 95 95 LEU HD12 H 1 0.95 0.02 . 2 . . . . 618 LEU MD1 . 17989 1 1132 . 1 1 95 95 LEU HD13 H 1 0.95 0.02 . 2 . . . . 618 LEU MD1 . 17989 1 1133 . 1 1 95 95 LEU HD21 H 1 0.94 0.02 . 2 . . . . 618 LEU MD2 . 17989 1 1134 . 1 1 95 95 LEU HD22 H 1 0.94 0.02 . 2 . . . . 618 LEU MD2 . 17989 1 1135 . 1 1 95 95 LEU HD23 H 1 0.94 0.02 . 2 . . . . 618 LEU MD2 . 17989 1 1136 . 1 1 95 95 LEU C C 13 177.56 0.1 . 1 . . . . 618 LEU C . 17989 1 1137 . 1 1 95 95 LEU CA C 13 58.52 0.1 . 1 . . . . 618 LEU CA . 17989 1 1138 . 1 1 95 95 LEU CB C 13 42.05 0.1 . 1 . . . . 618 LEU CB . 17989 1 1139 . 1 1 95 95 LEU CG C 13 27.13 0.1 . 1 . . . . 618 LEU CG . 17989 1 1140 . 1 1 95 95 LEU CD1 C 13 27.07 0.1 . 2 . . . . 618 LEU CD1 . 17989 1 1141 . 1 1 95 95 LEU CD2 C 13 24.66 0.1 . 2 . . . . 618 LEU CD2 . 17989 1 1142 . 1 1 95 95 LEU N N 15 121.09 0.1 . 1 . . . . 618 LEU N . 17989 1 1143 . 1 1 96 96 GLU H H 1 8.12 0.02 . 1 . . . . 619 GLU H . 17989 1 1144 . 1 1 96 96 GLU HA H 1 4.17 0.02 . 1 . . . . 619 GLU HA . 17989 1 1145 . 1 1 96 96 GLU HB2 H 1 2.26 0.02 . 2 . . . . 619 GLU HB2 . 17989 1 1146 . 1 1 96 96 GLU HB3 H 1 2.21 0.02 . 2 . . . . 619 GLU HB3 . 17989 1 1147 . 1 1 96 96 GLU HG2 H 1 2.49 0.02 . 2 . . . . 619 GLU HG2 . 17989 1 1148 . 1 1 96 96 GLU HG3 H 1 2.32 0.02 . 2 . . . . 619 GLU HG3 . 17989 1 1149 . 1 1 96 96 GLU C C 13 179.89 0.1 . 1 . . . . 619 GLU C . 17989 1 1150 . 1 1 96 96 GLU CA C 13 60.10 0.1 . 1 . . . . 619 GLU CA . 17989 1 1151 . 1 1 96 96 GLU CB C 13 29.62 0.1 . 1 . . . . 619 GLU CB . 17989 1 1152 . 1 1 96 96 GLU CG C 13 36.44 0.1 . 1 . . . . 619 GLU CG . 17989 1 1153 . 1 1 96 96 GLU N N 15 119.04 0.1 . 1 . . . . 619 GLU N . 17989 1 1154 . 1 1 97 97 GLN H H 1 8.30 0.02 . 1 . . . . 620 GLN H . 17989 1 1155 . 1 1 97 97 GLN HA H 1 4.17 0.02 . 1 . . . . 620 GLN HA . 17989 1 1156 . 1 1 97 97 GLN HB2 H 1 2.21 0.02 . 2 . . . . 620 GLN HB2 . 17989 1 1157 . 1 1 97 97 GLN HB3 H 1 2.17 0.02 . 2 . . . . 620 GLN HB3 . 17989 1 1158 . 1 1 97 97 GLN HG2 H 1 2.64 0.02 . 2 . . . . 620 GLN HG2 . 17989 1 1159 . 1 1 97 97 GLN HG3 H 1 2.48 0.02 . 2 . . . . 620 GLN HG3 . 17989 1 1160 . 1 1 97 97 GLN HE21 H 1 7.55 0.02 . 2 . . . . 620 GLN HE21 . 17989 1 1161 . 1 1 97 97 GLN HE22 H 1 6.83 0.02 . 2 . . . . 620 GLN HE22 . 17989 1 1162 . 1 1 97 97 GLN C C 13 178.91 0.1 . 1 . . . . 620 GLN C . 17989 1 1163 . 1 1 97 97 GLN CA C 13 58.99 0.1 . 1 . . . . 620 GLN CA . 17989 1 1164 . 1 1 97 97 GLN CB C 13 28.52 0.1 . 1 . . . . 620 GLN CB . 17989 1 1165 . 1 1 97 97 GLN CG C 13 34.51 0.1 . 1 . . . . 620 GLN CG . 17989 1 1166 . 1 1 97 97 GLN N N 15 117.58 0.1 . 1 . . . . 620 GLN N . 17989 1 1167 . 1 1 97 97 GLN NE2 N 15 111.62 0.1 . 1 . . . . 620 GLN NE2 . 17989 1 1168 . 1 1 98 98 ALA H H 1 8.18 0.02 . 1 . . . . 621 ALA H . 17989 1 1169 . 1 1 98 98 ALA HA H 1 4.36 0.02 . 1 . . . . 621 ALA HA . 17989 1 1170 . 1 1 98 98 ALA HB1 H 1 1.43 0.02 . 1 . . . . 621 ALA MB . 17989 1 1171 . 1 1 98 98 ALA HB2 H 1 1.43 0.02 . 1 . . . . 621 ALA MB . 17989 1 1172 . 1 1 98 98 ALA HB3 H 1 1.43 0.02 . 1 . . . . 621 ALA MB . 17989 1 1173 . 1 1 98 98 ALA C C 13 179.41 0.1 . 1 . . . . 621 ALA C . 17989 1 1174 . 1 1 98 98 ALA CA C 13 55.28 0.1 . 1 . . . . 621 ALA CA . 17989 1 1175 . 1 1 98 98 ALA CB C 13 18.44 0.1 . 1 . . . . 621 ALA CB . 17989 1 1176 . 1 1 98 98 ALA N N 15 124.56 0.1 . 1 . . . . 621 ALA N . 17989 1 1177 . 1 1 99 99 PHE H H 1 8.80 0.02 . 1 . . . . 622 PHE H . 17989 1 1178 . 1 1 99 99 PHE HA H 1 4.42 0.02 . 1 . . . . 622 PHE HA . 17989 1 1179 . 1 1 99 99 PHE HB2 H 1 3.32 0.02 . 2 . . . . 622 PHE HB2 . 17989 1 1180 . 1 1 99 99 PHE HB3 H 1 3.21 0.02 . 2 . . . . 622 PHE HB3 . 17989 1 1181 . 1 1 99 99 PHE HD1 H 1 7.33 0.02 . 3 . . . . 622 PHE HD1 . 17989 1 1182 . 1 1 99 99 PHE HD2 H 1 7.33 0.02 . 3 . . . . 622 PHE HD2 . 17989 1 1183 . 1 1 99 99 PHE HE1 H 1 7.33 0.02 . 3 . . . . 622 PHE HE1 . 17989 1 1184 . 1 1 99 99 PHE HE2 H 1 7.33 0.02 . 3 . . . . 622 PHE HE2 . 17989 1 1185 . 1 1 99 99 PHE HZ H 1 7.35 0.02 . 1 . . . . 622 PHE HZ . 17989 1 1186 . 1 1 99 99 PHE C C 13 178.61 0.1 . 1 . . . . 622 PHE C . 17989 1 1187 . 1 1 99 99 PHE CA C 13 62.77 0.1 . 1 . . . . 622 PHE CA . 17989 1 1188 . 1 1 99 99 PHE CB C 13 38.97 0.1 . 1 . . . . 622 PHE CB . 17989 1 1189 . 1 1 99 99 PHE CD1 C 13 131.62 0.1 . 3 . . . . 622 PHE CD1 . 17989 1 1190 . 1 1 99 99 PHE CD2 C 13 131.62 0.1 . 3 . . . . 622 PHE CD2 . 17989 1 1191 . 1 1 99 99 PHE CE1 C 13 131.62 0.1 . 3 . . . . 622 PHE CE1 . 17989 1 1192 . 1 1 99 99 PHE CE2 C 13 131.62 0.1 . 3 . . . . 622 PHE CE2 . 17989 1 1193 . 1 1 99 99 PHE CZ C 13 129.98 0.1 . 1 . . . . 622 PHE CZ . 17989 1 1194 . 1 1 99 99 PHE N N 15 119.53 0.1 . 1 . . . . 622 PHE N . 17989 1 1195 . 1 1 100 100 GLU H H 1 8.25 0.02 . 1 . . . . 623 GLU H . 17989 1 1196 . 1 1 100 100 GLU HA H 1 4.21 0.02 . 1 . . . . 623 GLU HA . 17989 1 1197 . 1 1 100 100 GLU HB2 H 1 2.26 0.02 . 2 . . . . 623 GLU HB2 . 17989 1 1198 . 1 1 100 100 GLU HB3 H 1 2.20 0.02 . 2 . . . . 623 GLU HB3 . 17989 1 1199 . 1 1 100 100 GLU HG2 H 1 2.63 0.02 . 2 . . . . 623 GLU HG2 . 17989 1 1200 . 1 1 100 100 GLU HG3 H 1 2.33 0.02 . 2 . . . . 623 GLU HG3 . 17989 1 1201 . 1 1 100 100 GLU C C 13 179.71 0.1 . 1 . . . . 623 GLU C . 17989 1 1202 . 1 1 100 100 GLU CA C 13 59.77 0.1 . 1 . . . . 623 GLU CA . 17989 1 1203 . 1 1 100 100 GLU CB C 13 29.58 0.1 . 1 . . . . 623 GLU CB . 17989 1 1204 . 1 1 100 100 GLU CG C 13 36.85 0.1 . 1 . . . . 623 GLU CG . 17989 1 1205 . 1 1 100 100 GLU N N 15 119.04 0.1 . 1 . . . . 623 GLU N . 17989 1 1206 . 1 1 101 101 ARG H H 1 8.11 0.02 . 1 . . . . 624 ARG H . 17989 1 1207 . 1 1 101 101 ARG HA H 1 4.23 0.02 . 1 . . . . 624 ARG HA . 17989 1 1208 . 1 1 101 101 ARG HB2 H 1 2.42 0.02 . 2 . . . . 624 ARG HB2 . 17989 1 1209 . 1 1 101 101 ARG HB3 H 1 2.08 0.02 . 2 . . . . 624 ARG HB3 . 17989 1 1210 . 1 1 101 101 ARG HG2 H 1 1.94 0.02 . 2 . . . . 624 ARG HG2 . 17989 1 1211 . 1 1 101 101 ARG HG3 H 1 1.71 0.02 . 2 . . . . 624 ARG HG3 . 17989 1 1212 . 1 1 101 101 ARG HD2 H 1 3.39 0.02 . 2 . . . . 624 ARG HD2 . 17989 1 1213 . 1 1 101 101 ARG HD3 H 1 3.05 0.02 . 2 . . . . 624 ARG HD3 . 17989 1 1214 . 1 1 101 101 ARG C C 13 177.54 0.1 . 1 . . . . 624 ARG C . 17989 1 1215 . 1 1 101 101 ARG CA C 13 57.88 0.1 . 1 . . . . 624 ARG CA . 17989 1 1216 . 1 1 101 101 ARG CB C 13 29.59 0.1 . 1 . . . . 624 ARG CB . 17989 1 1217 . 1 1 101 101 ARG CG C 13 25.56 0.1 . 1 . . . . 624 ARG CG . 17989 1 1218 . 1 1 101 101 ARG CD C 13 43.17 0.1 . 1 . . . . 624 ARG CD . 17989 1 1219 . 1 1 101 101 ARG N N 15 121.89 0.1 . 1 . . . . 624 ARG N . 17989 1 1220 . 1 1 102 102 TRP H H 1 8.70 0.02 . 1 . . . . 625 TRP H . 17989 1 1221 . 1 1 102 102 TRP HA H 1 4.18 0.02 . 1 . . . . 625 TRP HA . 17989 1 1222 . 1 1 102 102 TRP HB2 H 1 3.73 0.02 . 2 . . . . 625 TRP HB2 . 17989 1 1223 . 1 1 102 102 TRP HB3 H 1 3.27 0.02 . 2 . . . . 625 TRP HB3 . 17989 1 1224 . 1 1 102 102 TRP HD1 H 1 7.13 0.02 . 1 . . . . 625 TRP HD1 . 17989 1 1225 . 1 1 102 102 TRP HE1 H 1 10.45 0.02 . 1 . . . . 625 TRP HE1 . 17989 1 1226 . 1 1 102 102 TRP HE3 H 1 7.32 0.02 . 1 . . . . 625 TRP HE3 . 17989 1 1227 . 1 1 102 102 TRP HZ2 H 1 7.41 0.02 . 1 . . . . 625 TRP HZ2 . 17989 1 1228 . 1 1 102 102 TRP HZ3 H 1 7.14 0.02 . 1 . . . . 625 TRP HZ3 . 17989 1 1229 . 1 1 102 102 TRP HH2 H 1 7.21 0.02 . 1 . . . . 625 TRP HH2 . 17989 1 1230 . 1 1 102 102 TRP C C 13 176.82 0.1 . 1 . . . . 625 TRP C . 17989 1 1231 . 1 1 102 102 TRP CA C 13 61.67 0.1 . 1 . . . . 625 TRP CA . 17989 1 1232 . 1 1 102 102 TRP CB C 13 28.56 0.1 . 1 . . . . 625 TRP CB . 17989 1 1233 . 1 1 102 102 TRP CD1 C 13 125.56 0.1 . 1 . . . . 625 TRP CD1 . 17989 1 1234 . 1 1 102 102 TRP CE3 C 13 120.52 0.1 . 1 . . . . 625 TRP CE3 . 17989 1 1235 . 1 1 102 102 TRP CZ2 C 13 114.23 0.1 . 1 . . . . 625 TRP CZ2 . 17989 1 1236 . 1 1 102 102 TRP CZ3 C 13 121.65 0.1 . 1 . . . . 625 TRP CZ3 . 17989 1 1237 . 1 1 102 102 TRP CH2 C 13 124.28 0.1 . 1 . . . . 625 TRP CH2 . 17989 1 1238 . 1 1 102 102 TRP N N 15 120.97 0.1 . 1 . . . . 625 TRP N . 17989 1 1239 . 1 1 102 102 TRP NE1 N 15 129.88 0.1 . 1 . . . . 625 TRP NE1 . 17989 1 1240 . 1 1 103 103 GLU H H 1 8.44 0.02 . 1 . . . . 626 GLU H . 17989 1 1241 . 1 1 103 103 GLU HA H 1 3.47 0.02 . 1 . . . . 626 GLU HA . 17989 1 1242 . 1 1 103 103 GLU HB2 H 1 2.13 0.02 . 2 . . . . 626 GLU HB2 . 17989 1 1243 . 1 1 103 103 GLU HB3 H 1 1.97 0.02 . 2 . . . . 626 GLU HB3 . 17989 1 1244 . 1 1 103 103 GLU HG2 H 1 2.39 0.02 . 2 . . . . 626 GLU HG2 . 17989 1 1245 . 1 1 103 103 GLU HG3 H 1 2.11 0.02 . 2 . . . . 626 GLU HG3 . 17989 1 1246 . 1 1 103 103 GLU C C 13 179.58 0.1 . 1 . . . . 626 GLU C . 17989 1 1247 . 1 1 103 103 GLU CA C 13 60.06 0.1 . 1 . . . . 626 GLU CA . 17989 1 1248 . 1 1 103 103 GLU CB C 13 29.84 0.1 . 1 . . . . 626 GLU CB . 17989 1 1249 . 1 1 103 103 GLU CG C 13 37.33 0.1 . 1 . . . . 626 GLU CG . 17989 1 1250 . 1 1 103 103 GLU N N 15 116.88 0.1 . 1 . . . . 626 GLU N . 17989 1 1251 . 1 1 104 104 TYR H H 1 8.04 0.02 . 1 . . . . 627 TYR H . 17989 1 1252 . 1 1 104 104 TYR HA H 1 4.20 0.02 . 1 . . . . 627 TYR HA . 17989 1 1253 . 1 1 104 104 TYR HB2 H 1 3.26 0.02 . 2 . . . . 627 TYR HB2 . 17989 1 1254 . 1 1 104 104 TYR HB3 H 1 3.23 0.02 . 2 . . . . 627 TYR HB3 . 17989 1 1255 . 1 1 104 104 TYR HD1 H 1 7.06 0.02 . 3 . . . . 627 TYR HD1 . 17989 1 1256 . 1 1 104 104 TYR HD2 H 1 7.06 0.02 . 3 . . . . 627 TYR HD2 . 17989 1 1257 . 1 1 104 104 TYR HE1 H 1 6.75 0.02 . 3 . . . . 627 TYR HE1 . 17989 1 1258 . 1 1 104 104 TYR HE2 H 1 6.75 0.02 . 3 . . . . 627 TYR HE2 . 17989 1 1259 . 1 1 104 104 TYR C C 13 177.19 0.1 . 1 . . . . 627 TYR C . 17989 1 1260 . 1 1 104 104 TYR CA C 13 61.09 0.1 . 1 . . . . 627 TYR CA . 17989 1 1261 . 1 1 104 104 TYR CB C 13 38.54 0.1 . 1 . . . . 627 TYR CB . 17989 1 1262 . 1 1 104 104 TYR CD1 C 13 133.37 0.1 . 3 . . . . 627 TYR CD1 . 17989 1 1263 . 1 1 104 104 TYR CD2 C 13 133.37 0.1 . 3 . . . . 627 TYR CD2 . 17989 1 1264 . 1 1 104 104 TYR CE1 C 13 118.05 0.1 . 3 . . . . 627 TYR CE1 . 17989 1 1265 . 1 1 104 104 TYR CE2 C 13 118.05 0.1 . 3 . . . . 627 TYR CE2 . 17989 1 1266 . 1 1 104 104 TYR N N 15 120.58 0.1 . 1 . . . . 627 TYR N . 17989 1 1267 . 1 1 105 105 LEU H H 1 8.49 0.02 . 1 . . . . 628 LEU H . 17989 1 1268 . 1 1 105 105 LEU HA H 1 3.77 0.02 . 1 . . . . 628 LEU HA . 17989 1 1269 . 1 1 105 105 LEU HB2 H 1 1.96 0.02 . 2 . . . . 628 LEU HB2 . 17989 1 1270 . 1 1 105 105 LEU HB3 H 1 1.25 0.02 . 2 . . . . 628 LEU HB3 . 17989 1 1271 . 1 1 105 105 LEU HG H 1 2.02 0.02 . 1 . . . . 628 LEU HG . 17989 1 1272 . 1 1 105 105 LEU HD11 H 1 0.89 0.02 . 2 . . . . 628 LEU MD1 . 17989 1 1273 . 1 1 105 105 LEU HD12 H 1 0.89 0.02 . 2 . . . . 628 LEU MD1 . 17989 1 1274 . 1 1 105 105 LEU HD13 H 1 0.89 0.02 . 2 . . . . 628 LEU MD1 . 17989 1 1275 . 1 1 105 105 LEU HD21 H 1 0.90 0.02 . 2 . . . . 628 LEU MD2 . 17989 1 1276 . 1 1 105 105 LEU HD22 H 1 0.90 0.02 . 2 . . . . 628 LEU MD2 . 17989 1 1277 . 1 1 105 105 LEU HD23 H 1 0.90 0.02 . 2 . . . . 628 LEU MD2 . 17989 1 1278 . 1 1 105 105 LEU C C 13 179.22 0.1 . 1 . . . . 628 LEU C . 17989 1 1279 . 1 1 105 105 LEU CA C 13 57.79 0.1 . 1 . . . . 628 LEU CA . 17989 1 1280 . 1 1 105 105 LEU CB C 13 43.15 0.1 . 1 . . . . 628 LEU CB . 17989 1 1281 . 1 1 105 105 LEU CG C 13 27.42 0.1 . 1 . . . . 628 LEU CG . 17989 1 1282 . 1 1 105 105 LEU CD1 C 13 26.18 0.1 . 2 . . . . 628 LEU CD1 . 17989 1 1283 . 1 1 105 105 LEU CD2 C 13 23.65 0.1 . 2 . . . . 628 LEU CD2 . 17989 1 1284 . 1 1 105 105 LEU N N 15 119.47 0.1 . 1 . . . . 628 LEU N . 17989 1 1285 . 1 1 106 106 GLU H H 1 8.46 0.02 . 1 . . . . 629 GLU H . 17989 1 1286 . 1 1 106 106 GLU HA H 1 3.76 0.02 . 1 . . . . 629 GLU HA . 17989 1 1287 . 1 1 106 106 GLU HB2 H 1 1.57 0.02 . 2 . . . . 629 GLU HB2 . 17989 1 1288 . 1 1 106 106 GLU HB3 H 1 1.46 0.02 . 2 . . . . 629 GLU HB3 . 17989 1 1289 . 1 1 106 106 GLU HG2 H 1 1.70 0.02 . 2 . . . . 629 GLU HG2 . 17989 1 1290 . 1 1 106 106 GLU HG3 H 1 1.49 0.02 . 2 . . . . 629 GLU HG3 . 17989 1 1291 . 1 1 106 106 GLU C C 13 178.96 0.1 . 1 . . . . 629 GLU C . 17989 1 1292 . 1 1 106 106 GLU CA C 13 59.33 0.1 . 1 . . . . 629 GLU CA . 17989 1 1293 . 1 1 106 106 GLU CB C 13 28.94 0.1 . 1 . . . . 629 GLU CB . 17989 1 1294 . 1 1 106 106 GLU CG C 13 35.77 0.1 . 1 . . . . 629 GLU CG . 17989 1 1295 . 1 1 106 106 GLU N N 15 119.17 0.1 . 1 . . . . 629 GLU N . 17989 1 1296 . 1 1 107 107 ALA H H 1 7.53 0.02 . 1 . . . . 630 ALA H . 17989 1 1297 . 1 1 107 107 ALA HA H 1 4.07 0.02 . 1 . . . . 630 ALA HA . 17989 1 1298 . 1 1 107 107 ALA HB1 H 1 1.39 0.02 . 1 . . . . 630 ALA MB . 17989 1 1299 . 1 1 107 107 ALA HB2 H 1 1.39 0.02 . 1 . . . . 630 ALA MB . 17989 1 1300 . 1 1 107 107 ALA HB3 H 1 1.39 0.02 . 1 . . . . 630 ALA MB . 17989 1 1301 . 1 1 107 107 ALA C C 13 181.19 0.1 . 1 . . . . 630 ALA C . 17989 1 1302 . 1 1 107 107 ALA CA C 13 54.73 0.1 . 1 . . . . 630 ALA CA . 17989 1 1303 . 1 1 107 107 ALA CB C 13 17.57 0.1 . 1 . . . . 630 ALA CB . 17989 1 1304 . 1 1 107 107 ALA N N 15 120.96 0.1 . 1 . . . . 630 ALA N . 17989 1 1305 . 1 1 108 108 LEU H H 1 7.72 0.02 . 1 . . . . 631 LEU H . 17989 1 1306 . 1 1 108 108 LEU HA H 1 3.89 0.02 . 1 . . . . 631 LEU HA . 17989 1 1307 . 1 1 108 108 LEU HB2 H 1 1.60 0.02 . 2 . . . . 631 LEU HB2 . 17989 1 1308 . 1 1 108 108 LEU HB3 H 1 1.34 0.02 . 2 . . . . 631 LEU HB3 . 17989 1 1309 . 1 1 108 108 LEU HG H 1 1.36 0.02 . 1 . . . . 631 LEU HG . 17989 1 1310 . 1 1 108 108 LEU HD11 H 1 0.66 0.02 . 2 . . . . 631 LEU MD1 . 17989 1 1311 . 1 1 108 108 LEU HD12 H 1 0.66 0.02 . 2 . . . . 631 LEU MD1 . 17989 1 1312 . 1 1 108 108 LEU HD13 H 1 0.66 0.02 . 2 . . . . 631 LEU MD1 . 17989 1 1313 . 1 1 108 108 LEU HD21 H 1 0.68 0.02 . 2 . . . . 631 LEU MD2 . 17989 1 1314 . 1 1 108 108 LEU HD22 H 1 0.68 0.02 . 2 . . . . 631 LEU MD2 . 17989 1 1315 . 1 1 108 108 LEU HD23 H 1 0.68 0.02 . 2 . . . . 631 LEU MD2 . 17989 1 1316 . 1 1 108 108 LEU C C 13 179.77 0.1 . 1 . . . . 631 LEU C . 17989 1 1317 . 1 1 108 108 LEU CA C 13 57.27 0.1 . 1 . . . . 631 LEU CA . 17989 1 1318 . 1 1 108 108 LEU CB C 13 42.29 0.1 . 1 . . . . 631 LEU CB . 17989 1 1319 . 1 1 108 108 LEU CG C 13 26.35 0.1 . 1 . . . . 631 LEU CG . 17989 1 1320 . 1 1 108 108 LEU CD1 C 13 25.01 0.1 . 2 . . . . 631 LEU CD1 . 17989 1 1321 . 1 1 108 108 LEU CD2 C 13 23.47 0.1 . 2 . . . . 631 LEU CD2 . 17989 1 1322 . 1 1 108 108 LEU N N 15 119.95 0.1 . 1 . . . . 631 LEU N . 17989 1 1323 . 1 1 109 109 LYS H H 1 8.01 0.02 . 1 . . . . 632 LYS H . 17989 1 1324 . 1 1 109 109 LYS HA H 1 3.85 0.02 . 1 . . . . 632 LYS HA . 17989 1 1325 . 1 1 109 109 LYS HB2 H 1 1.89 0.02 . 2 . . . . 632 LYS HB2 . 17989 1 1326 . 1 1 109 109 LYS HB3 H 1 1.74 0.02 . 2 . . . . 632 LYS HB3 . 17989 1 1327 . 1 1 109 109 LYS HG2 H 1 1.41 0.02 . 2 . . . . 632 LYS HG2 . 17989 1 1328 . 1 1 109 109 LYS HG3 H 1 1.34 0.02 . 2 . . . . 632 LYS HG3 . 17989 1 1329 . 1 1 109 109 LYS HD2 H 1 1.68 0.02 . 1 . . . . 632 LYS HD2 . 17989 1 1330 . 1 1 109 109 LYS HD3 H 1 1.68 0.02 . 1 . . . . 632 LYS HD3 . 17989 1 1331 . 1 1 109 109 LYS HE2 H 1 2.92 0.02 . 2 . . . . 632 LYS HE2 . 17989 1 1332 . 1 1 109 109 LYS HE3 H 1 2.92 0.02 . 2 . . . . 632 LYS HE3 . 17989 1 1333 . 1 1 109 109 LYS C C 13 177.42 0.1 . 1 . . . . 632 LYS C . 17989 1 1334 . 1 1 109 109 LYS CA C 13 59.01 0.1 . 1 . . . . 632 LYS CA . 17989 1 1335 . 1 1 109 109 LYS CB C 13 32.37 0.1 . 1 . . . . 632 LYS CB . 17989 1 1336 . 1 1 109 109 LYS CG C 13 24.46 0.1 . 1 . . . . 632 LYS CG . 17989 1 1337 . 1 1 109 109 LYS CD C 13 29.53 0.1 . 1 . . . . 632 LYS CD . 17989 1 1338 . 1 1 109 109 LYS CE C 13 41.84 0.1 . 1 . . . . 632 LYS CE . 17989 1 1339 . 1 1 109 109 LYS N N 15 119.78 0.1 . 1 . . . . 632 LYS N . 17989 1 1340 . 1 1 110 110 ASN H H 1 7.85 0.02 . 1 . . . . 633 ASN H . 17989 1 1341 . 1 1 110 110 ASN HA H 1 4.72 0.02 . 1 . . . . 633 ASN HA . 17989 1 1342 . 1 1 110 110 ASN HB2 H 1 2.92 0.02 . 2 . . . . 633 ASN HB2 . 17989 1 1343 . 1 1 110 110 ASN HB3 H 1 2.72 0.02 . 2 . . . . 633 ASN HB3 . 17989 1 1344 . 1 1 110 110 ASN HD21 H 1 7.56 0.02 . 2 . . . . 633 ASN HD21 . 17989 1 1345 . 1 1 110 110 ASN HD22 H 1 6.95 0.02 . 2 . . . . 633 ASN HD22 . 17989 1 1346 . 1 1 110 110 ASN C C 13 175.89 0.1 . 1 . . . . 633 ASN C . 17989 1 1347 . 1 1 110 110 ASN CA C 13 53.75 0.1 . 1 . . . . 633 ASN CA . 17989 1 1348 . 1 1 110 110 ASN CB C 13 39.30 0.1 . 1 . . . . 633 ASN CB . 17989 1 1349 . 1 1 110 110 ASN N N 15 115.25 0.1 . 1 . . . . 633 ASN N . 17989 1 1350 . 1 1 110 110 ASN ND2 N 15 114.17 0.1 . 1 . . . . 633 ASN ND2 . 17989 1 1351 . 1 1 111 111 GLY H H 1 7.85 0.02 . 1 . . . . 634 GLY H . 17989 1 1352 . 1 1 111 111 GLY HA2 H 1 4.00 0.02 . 2 . . . . 634 GLY HA2 . 17989 1 1353 . 1 1 111 111 GLY HA3 H 1 3.97 0.02 . 2 . . . . 634 GLY HA3 . 17989 1 1354 . 1 1 111 111 GLY C C 13 173.75 0.1 . 1 . . . . 634 GLY C . 17989 1 1355 . 1 1 111 111 GLY CA C 13 45.81 0.1 . 1 . . . . 634 GLY CA . 17989 1 1356 . 1 1 111 111 GLY N N 15 109.16 0.1 . 1 . . . . 634 GLY N . 17989 1 1357 . 1 1 112 112 GLY H H 1 8.01 0.02 . 1 . . . . 635 GLY H . 17989 1 1358 . 1 1 112 112 GLY HA2 H 1 3.73 0.02 . 1 . . . . 635 GLY HA2 . 17989 1 1359 . 1 1 112 112 GLY HA3 H 1 3.73 0.02 . 1 . . . . 635 GLY HA3 . 17989 1 1360 . 1 1 112 112 GLY C C 13 178.91 0.1 . 1 . . . . 635 GLY C . 17989 1 1361 . 1 1 112 112 GLY CA C 13 46.10 0.1 . 1 . . . . 635 GLY CA . 17989 1 1362 . 1 1 112 112 GLY N N 15 115.19 0.1 . 1 . . . . 635 GLY N . 17989 1 stop_ save_