data_10019 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 10019 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 . 'Structure analysis' . 10019 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10019 _Entry.Title ; GSPT1/eRF3a(PAM2-1)-PABC complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-27 _Entry.Accession_date 2006-03-27 _Entry.Last_release_date 2010-05-27 _Entry.Original_release_date 2010-05-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Masanori Osawa . . . 10019 2 Ichio Shimada . . . 10019 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10019 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 10019 '15N chemical shifts' 77 10019 '1H chemical shifts' 674 10019 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-27 2006-03-27 original author . 10019 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RQG 'BMRB Entry Tracking System' 10019 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 10019 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H and 15N Assigned Chemical Shifts for GSPT1/eRF3a(PAM2-1) and 1H, 13C and 15N Assigned Chemical Shifts for PABC ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Masanori Osawa . . . 10019 1 2 Ichio Shimada . . . 10019 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10019 _Assembly.ID 1 _Assembly.Name 'GSPT1/eRF3a(PAM2-1) - PABC complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein hetero-multimer' 10019 1 stop_ 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 PAM2-1 1 $GSPT1_eRF3a . . no native no no . . . 10019 1 2 PABC 2 $polyA-binding_protein . . no native no no . . . 10019 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GSPT1_eRF3a _Entity.Sf_category entity _Entity.Sf_framecode GSPT1_eRF3a _Entity.Entry_ID 10019 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PAM2-1 _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 AFSRQLNVNAKPFVPNVHA _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2RQG . "Structure Of Gspt1ERF3A-Pabc" . . . . . 100.00 19 100.00 100.00 3.72e-03 . . . . 10019 1 2 no PDB 3KUI . "Crystal Structure Of C-Terminal Domain Of Pabpc1 In Complex Binding Region Of Erf3a" . . . . . 78.95 15 100.00 100.00 1.68e+00 . . . . 10019 1 3 no DBJ BAA92160 . "eukaryotic polypeptide chain release factor 3 [Oryctolagus cuniculus]" . . . . . 100.00 588 100.00 100.00 2.47e-03 . . . . 10019 1 4 no DBJ BAE22025 . "unnamed protein product [Mus musculus]" . . . . . 100.00 226 100.00 100.00 4.47e-03 . . . . 10019 1 5 no DBJ BAJ20641 . "G1 to S phase transition 1 [synthetic construct]" . . . . . 100.00 634 100.00 100.00 1.67e-03 . . . . 10019 1 6 no DBJ BAT46595 . "G1 to S phase transition 1 [Tokudaia muenninki]" . . . . . 100.00 634 100.00 100.00 9.57e-04 . . . . 10019 1 7 no EMBL CAG31442 . "hypothetical protein RCJMB04_6h9 [Gallus gallus]" . . . . . 100.00 162 100.00 100.00 4.88e-02 . . . . 10019 1 8 no EMBL CAH93403 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 628 100.00 100.00 1.36e-03 . . . . 10019 1 9 no GB AAH09503 . "GSPT1 protein [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 1.67e-03 . . . . 10019 1 10 no GB AAH31640 . "G1 to S phase transition 1 [Mus musculus]" . . . . . 100.00 587 100.00 100.00 1.83e-03 . . . . 10019 1 11 no GB AAH77825 . "Gspt2-prov protein [Xenopus laevis]" . . . . . 73.68 553 100.00 100.00 5.54e+00 . . . . 10019 1 12 no GB AAH79092 . "G1 to S phase transition 1 [Rattus norvegicus]" . . . . . 100.00 636 100.00 100.00 1.07e-03 . . . . 10019 1 13 no GB AAH90081 . "MGC97489 protein [Xenopus (Silurana) tropicalis]" . . . . . 78.95 558 100.00 100.00 7.13e-01 . . . . 10019 1 14 no REF NP_001003978 . "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Rattus norvegicus]" . . . . . 100.00 636 100.00 100.00 1.07e-03 . . . . 10019 1 15 no REF NP_001015805 . "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Xenopus (Silurana) tropicalis]" . . . . . 78.95 573 100.00 100.00 6.67e-01 . . . . 10019 1 16 no REF NP_001086960 . "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Xenopus laevis]" . . . . . 73.68 568 100.00 100.00 4.93e+00 . . . . 10019 1 17 no REF NP_001091540 . "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Bos taurus]" . . . . . 100.00 636 100.00 100.00 1.67e-03 . . . . 10019 1 18 no REF NP_001123478 . "eukaryotic peptide chain release factor GTP-binding subunit ERF3A isoform 2 [Homo sapiens]" . . . . . 100.00 636 100.00 100.00 1.50e-03 . . . . 10019 1 19 no SP Q5R4B3 . "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit ERF3B; Short=Eukaryotic peptide chain release factor " . . . . . 100.00 628 100.00 100.00 1.36e-03 . . . . 10019 1 20 no SP Q8R050 . "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit ERF3A; Short=Eukaryotic peptide chain release factor " . . . . . 100.00 636 100.00 100.00 1.02e-03 . . . . 10019 1 21 no TPG DAA15601 . "TPA: G1 to S phase transition 1 [Bos taurus]" . . . . . 100.00 605 100.00 100.00 2.72e-03 . . . . 10019 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 . ALA . 10019 1 2 . PHE . 10019 1 3 . SER . 10019 1 4 . ARG . 10019 1 5 . GLN . 10019 1 6 . LEU . 10019 1 7 . ASN . 10019 1 8 . VAL . 10019 1 9 . ASN . 10019 1 10 . ALA . 10019 1 11 . LYS . 10019 1 12 . PRO . 10019 1 13 . PHE . 10019 1 14 . VAL . 10019 1 15 . PRO . 10019 1 16 . ASN . 10019 1 17 . VAL . 10019 1 18 . HIS . 10019 1 19 . ALA . 10019 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 . ALA 1 1 10019 1 . PHE 2 2 10019 1 . SER 3 3 10019 1 . ARG 4 4 10019 1 . GLN 5 5 10019 1 . LEU 6 6 10019 1 . ASN 7 7 10019 1 . VAL 8 8 10019 1 . ASN 9 9 10019 1 . ALA 10 10 10019 1 . LYS 11 11 10019 1 . PRO 12 12 10019 1 . PHE 13 13 10019 1 . VAL 14 14 10019 1 . PRO 15 15 10019 1 . ASN 16 16 10019 1 . VAL 17 17 10019 1 . HIS 18 18 10019 1 . ALA 19 19 10019 1 stop_ save_ save_polyA-binding_protein _Entity.Sf_category entity _Entity.Sf_framecode polyA-binding_protein _Entity.Entry_ID 10019 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'PABC domain' _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 ; GQEPLTASMLASAPPQEQKQ MLGERLFPLIQAMHPTLAGK ITGMLLEIDNSELLHMLESP ESLRSKVDEAVAVLQAHQAK EAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 541 GLY . 10019 2 2 542 GLN . 10019 2 3 543 GLU . 10019 2 4 544 PRO . 10019 2 5 545 LEU . 10019 2 6 546 THR . 10019 2 7 547 ALA . 10019 2 8 548 SER . 10019 2 9 549 MET . 10019 2 10 550 LEU . 10019 2 11 551 ALA . 10019 2 12 552 SER . 10019 2 13 553 ALA . 10019 2 14 554 PRO . 10019 2 15 555 PRO . 10019 2 16 556 GLN . 10019 2 17 557 GLU . 10019 2 18 558 GLN . 10019 2 19 559 LYS . 10019 2 20 560 GLN . 10019 2 21 561 MET . 10019 2 22 562 LEU . 10019 2 23 563 GLY . 10019 2 24 564 GLU . 10019 2 25 565 ARG . 10019 2 26 566 LEU . 10019 2 27 567 PHE . 10019 2 28 568 PRO . 10019 2 29 569 LEU . 10019 2 30 570 ILE . 10019 2 31 571 GLN . 10019 2 32 572 ALA . 10019 2 33 573 MET . 10019 2 34 574 HIS . 10019 2 35 575 PRO . 10019 2 36 576 THR . 10019 2 37 577 LEU . 10019 2 38 578 ALA . 10019 2 39 579 GLY . 10019 2 40 580 LYS . 10019 2 41 581 ILE . 10019 2 42 582 THR . 10019 2 43 583 GLY . 10019 2 44 584 MET . 10019 2 45 585 LEU . 10019 2 46 586 LEU . 10019 2 47 587 GLU . 10019 2 48 588 ILE . 10019 2 49 589 ASP . 10019 2 50 590 ASN . 10019 2 51 591 SER . 10019 2 52 592 GLU . 10019 2 53 593 LEU . 10019 2 54 594 LEU . 10019 2 55 595 HIS . 10019 2 56 596 MET . 10019 2 57 597 LEU . 10019 2 58 598 GLU . 10019 2 59 599 SER . 10019 2 60 600 PRO . 10019 2 61 601 GLU . 10019 2 62 602 SER . 10019 2 63 603 LEU . 10019 2 64 604 ARG . 10019 2 65 605 SER . 10019 2 66 606 LYS . 10019 2 67 607 VAL . 10019 2 68 608 ASP . 10019 2 69 609 GLU . 10019 2 70 610 ALA . 10019 2 71 611 VAL . 10019 2 72 612 ALA . 10019 2 73 613 VAL . 10019 2 74 614 LEU . 10019 2 75 615 GLN . 10019 2 76 616 ALA . 10019 2 77 617 HIS . 10019 2 78 618 GLN . 10019 2 79 619 ALA . 10019 2 80 620 LYS . 10019 2 81 621 GLU . 10019 2 82 622 ALA . 10019 2 83 623 ALA . 10019 2 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 10019 2 . GLN 2 2 10019 2 . GLU 3 3 10019 2 . PRO 4 4 10019 2 . LEU 5 5 10019 2 . THR 6 6 10019 2 . ALA 7 7 10019 2 . SER 8 8 10019 2 . MET 9 9 10019 2 . LEU 10 10 10019 2 . ALA 11 11 10019 2 . SER 12 12 10019 2 . ALA 13 13 10019 2 . PRO 14 14 10019 2 . PRO 15 15 10019 2 . GLN 16 16 10019 2 . GLU 17 17 10019 2 . GLN 18 18 10019 2 . LYS 19 19 10019 2 . GLN 20 20 10019 2 . MET 21 21 10019 2 . LEU 22 22 10019 2 . GLY 23 23 10019 2 . GLU 24 24 10019 2 . ARG 25 25 10019 2 . LEU 26 26 10019 2 . PHE 27 27 10019 2 . PRO 28 28 10019 2 . LEU 29 29 10019 2 . ILE 30 30 10019 2 . GLN 31 31 10019 2 . ALA 32 32 10019 2 . MET 33 33 10019 2 . HIS 34 34 10019 2 . PRO 35 35 10019 2 . THR 36 36 10019 2 . LEU 37 37 10019 2 . ALA 38 38 10019 2 . GLY 39 39 10019 2 . LYS 40 40 10019 2 . ILE 41 41 10019 2 . THR 42 42 10019 2 . GLY 43 43 10019 2 . MET 44 44 10019 2 . LEU 45 45 10019 2 . LEU 46 46 10019 2 . GLU 47 47 10019 2 . ILE 48 48 10019 2 . ASP 49 49 10019 2 . ASN 50 50 10019 2 . SER 51 51 10019 2 . GLU 52 52 10019 2 . LEU 53 53 10019 2 . LEU 54 54 10019 2 . HIS 55 55 10019 2 . MET 56 56 10019 2 . LEU 57 57 10019 2 . GLU 58 58 10019 2 . SER 59 59 10019 2 . PRO 60 60 10019 2 . GLU 61 61 10019 2 . SER 62 62 10019 2 . LEU 63 63 10019 2 . ARG 64 64 10019 2 . SER 65 65 10019 2 . LYS 66 66 10019 2 . VAL 67 67 10019 2 . ASP 68 68 10019 2 . GLU 69 69 10019 2 . ALA 70 70 10019 2 . VAL 71 71 10019 2 . ALA 72 72 10019 2 . VAL 73 73 10019 2 . LEU 74 74 10019 2 . GLN 75 75 10019 2 . ALA 76 76 10019 2 . HIS 77 77 10019 2 . GLN 78 78 10019 2 . ALA 79 79 10019 2 . LYS 80 80 10019 2 . GLU 81 81 10019 2 . ALA 82 82 10019 2 . ALA 83 83 10019 2 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 10019 _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 $GSPT1_eRF3a . 10090 . no . mouse . . Eukaryota Metazoa Mus musculas . . . . . . . . . . . . no . . . . . . . . 10019 1 2 2 $polyA-binding_protein . 9606 . no . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . no . . . . . . . . 10019 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 10019 _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 $GSPT1_eRF3a . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10019 1 2 2 $polyA-binding_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10019 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10019 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 PAM2-1 unlabeled . . 1 $GSPT1_eRF3a . protein 1 . . mM . . . . 10019 1 2 'PABC domain' '[U-95% 13C, U-95% 15N]' . . 2 $polyA-binding_protein . protein 1 . . mM . . . . 10019 1 3 NaCl . . . . . . salt 150 . . mM . . . . 10019 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 10019 _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' 0.15 0.01 M 10019 1 pH 6.5 0.1 pH 10019 1 temperature 303 0.01 K 10019 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10019 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10019 _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 '15N-1H HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 2 '13C-1H HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 5 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 6 H(CCO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 7 HBHA(CBCACO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 9 '15N-edited TOCSY HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 10 '15N-edited NOESY HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 11 '13C,15N-filterd NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 12 '13C,15N-filterd TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10019 1 stop_ save_ save_15N-1H_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-1H_HSQC _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-1H_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-1H_HSQC _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_H(CCO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(CCO)NH _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHA(CBCACO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA(CBCACO)NH _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-edited_TOCSY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-edited_TOCSY_HSQC _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N-edited TOCSY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-edited_NOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-edited_NOESY_HSQC _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N-edited NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_15N-filterd_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_15N-filterd_NOESY _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C,15N-filterd NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_15N-filterd_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_15N-filterd_TOCSY _NMR_spec_expt.Entry_ID 10019 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '13C,15N-filterd TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 10019 _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 . indirect 0.251449530 . . . . . . . . . 10019 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 10019 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10019 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 10019 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N-1H HSQC' 1 $sample_1 isotropic 10019 1 2 '13C-1H HSQC' 1 $sample_1 isotropic 10019 1 3 CBCA(CO)NH 1 $sample_1 isotropic 10019 1 4 HNCACB 1 $sample_1 isotropic 10019 1 5 C(CO)NH 1 $sample_1 isotropic 10019 1 6 H(CCO)NH 1 $sample_1 isotropic 10019 1 7 HBHA(CBCACO)NH 1 $sample_1 isotropic 10019 1 8 HCCH-TOCSY 1 $sample_1 isotropic 10019 1 9 '15N-edited TOCSY HSQC' 1 $sample_1 isotropic 10019 1 10 '15N-edited NOESY HSQC' 1 $sample_1 isotropic 10019 1 11 '13C,15N-filterd NOESY' 1 $sample_1 isotropic 10019 1 12 '13C,15N-filterd TOCSY' 1 $sample_1 isotropic 10019 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 1 1 ALA H H 1 8.398 0.020 . 1 . . . . 64 ALA H . 10019 1 2 . 1 1 1 1 ALA HA H 1 4.239 0.020 . 1 . . . . 64 ALA HA . 10019 1 3 . 1 1 1 1 ALA HB1 H 1 1.283 0.020 . 1 . . . . 64 ALA HB . 10019 1 4 . 1 1 1 1 ALA HB2 H 1 1.283 0.020 . 1 . . . . 64 ALA HB . 10019 1 5 . 1 1 1 1 ALA HB3 H 1 1.283 0.020 . 1 . . . . 64 ALA HB . 10019 1 6 . 1 1 2 2 PHE H H 1 8.100 0.020 . 1 . . . . 65 PHE H . 10019 1 7 . 1 1 2 2 PHE HA H 1 4.541 0.020 . 1 . . . . 65 PHE HA . 10019 1 8 . 1 1 2 2 PHE HB2 H 1 3.119 0.020 . 2 . . . . 65 PHE HB2 . 10019 1 9 . 1 1 2 2 PHE HB3 H 1 3.010 0.020 . 2 . . . . 65 PHE HB3 . 10019 1 10 . 1 1 2 2 PHE HD1 H 1 7.210 0.020 . 1 . . . . 65 PHE HD1 . 10019 1 11 . 1 1 2 2 PHE HD2 H 1 7.210 0.020 . 1 . . . . 65 PHE HD2 . 10019 1 12 . 1 1 2 2 PHE HE1 H 1 7.219 0.020 . 1 . . . . 65 PHE HE1 . 10019 1 13 . 1 1 2 2 PHE HE2 H 1 7.219 0.020 . 1 . . . . 65 PHE HE2 . 10019 1 14 . 1 1 2 2 PHE HZ H 1 7.299 0.020 . 1 . . . . 65 PHE HZ . 10019 1 15 . 1 1 3 3 SER H H 1 8.133 0.020 . 1 . . . . 66 SER H . 10019 1 16 . 1 1 3 3 SER HA H 1 4.290 0.020 . 1 . . . . 66 SER HA . 10019 1 17 . 1 1 3 3 SER HB2 H 1 3.812 0.020 . 1 . . . . 66 SER HB2 . 10019 1 18 . 1 1 3 3 SER HB3 H 1 3.812 0.020 . 1 . . . . 66 SER HB3 . 10019 1 19 . 1 1 4 4 ARG H H 1 8.102 0.020 . 1 . . . . 67 ARG H . 10019 1 20 . 1 1 4 4 ARG HA H 1 4.303 0.020 . 1 . . . . 67 ARG HA . 10019 1 21 . 1 1 4 4 ARG HB2 H 1 1.818 0.020 . 2 . . . . 67 ARG HB2 . 10019 1 22 . 1 1 4 4 ARG HB3 H 1 1.752 0.020 . 2 . . . . 67 ARG HB3 . 10019 1 23 . 1 1 5 5 GLN H H 1 8.241 0.020 . 1 . . . . 68 GLN H . 10019 1 24 . 1 1 5 5 GLN HA H 1 4.371 0.020 . 1 . . . . 68 GLN HA . 10019 1 25 . 1 1 5 5 GLN HB2 H 1 2.003 0.020 . 1 . . . . 68 GLN HB2 . 10019 1 26 . 1 1 5 5 GLN HB3 H 1 2.003 0.020 . 1 . . . . 68 GLN HB3 . 10019 1 27 . 1 1 5 5 GLN HG2 H 1 2.353 0.020 . 1 . . . . 68 GLN HG2 . 10019 1 28 . 1 1 5 5 GLN HG3 H 1 2.353 0.020 . 1 . . . . 68 GLN HG3 . 10019 1 29 . 1 1 5 5 GLN HE21 H 1 7.462 0.020 . 2 . . . . 68 GLN HE21 . 10019 1 30 . 1 1 5 5 GLN HE22 H 1 6.874 0.020 . 2 . . . . 68 GLN HE22 . 10019 1 31 . 1 1 6 6 LEU H H 1 8.488 0.020 . 1 . . . . 69 LEU H . 10019 1 32 . 1 1 6 6 LEU HA H 1 4.302 0.020 . 1 . . . . 69 LEU HA . 10019 1 33 . 1 1 6 6 LEU HB2 H 1 1.654 0.020 . 1 . . . . 69 LEU HB2 . 10019 1 34 . 1 1 6 6 LEU HB3 H 1 1.654 0.020 . 1 . . . . 69 LEU HB3 . 10019 1 35 . 1 1 6 6 LEU HG H 1 1.027 0.020 . 1 . . . . 69 LEU HG . 10019 1 36 . 1 1 6 6 LEU HD11 H 1 0.745 0.020 . 2 . . . . 69 LEU HD1 . 10019 1 37 . 1 1 6 6 LEU HD12 H 1 0.745 0.020 . 2 . . . . 69 LEU HD1 . 10019 1 38 . 1 1 6 6 LEU HD13 H 1 0.745 0.020 . 2 . . . . 69 LEU HD1 . 10019 1 39 . 1 1 6 6 LEU HD21 H 1 0.705 0.020 . 2 . . . . 69 LEU HD2 . 10019 1 40 . 1 1 6 6 LEU HD22 H 1 0.705 0.020 . 2 . . . . 69 LEU HD2 . 10019 1 41 . 1 1 6 6 LEU HD23 H 1 0.705 0.020 . 2 . . . . 69 LEU HD2 . 10019 1 42 . 1 1 7 7 ASN H H 1 8.949 0.020 . 1 . . . . 70 ASN H . 10019 1 43 . 1 1 7 7 ASN HA H 1 4.776 0.020 . 1 . . . . 70 ASN HA . 10019 1 44 . 1 1 7 7 ASN HB2 H 1 3.196 0.020 . 2 . . . . 70 ASN HB2 . 10019 1 45 . 1 1 7 7 ASN HB3 H 1 2.796 0.020 . 2 . . . . 70 ASN HB3 . 10019 1 46 . 1 1 7 7 ASN HD21 H 1 8.459 0.020 . 2 . . . . 70 ASN HD21 . 10019 1 47 . 1 1 7 7 ASN HD22 H 1 6.915 0.020 . 2 . . . . 70 ASN HD22 . 10019 1 48 . 1 1 8 8 VAL H H 1 8.563 0.020 . 1 . . . . 71 VAL H . 10019 1 49 . 1 1 8 8 VAL HA H 1 3.815 0.020 . 1 . . . . 71 VAL HA . 10019 1 50 . 1 1 8 8 VAL HB H 1 1.883 0.020 . 1 . . . . 71 VAL HB . 10019 1 51 . 1 1 8 8 VAL HG11 H 1 0.668 0.020 . 2 . . . . 71 VAL HG1 . 10019 1 52 . 1 1 8 8 VAL HG12 H 1 0.668 0.020 . 2 . . . . 71 VAL HG1 . 10019 1 53 . 1 1 8 8 VAL HG13 H 1 0.668 0.020 . 2 . . . . 71 VAL HG1 . 10019 1 54 . 1 1 8 8 VAL HG21 H 1 0.519 0.020 . 2 . . . . 71 VAL HG2 . 10019 1 55 . 1 1 8 8 VAL HG22 H 1 0.519 0.020 . 2 . . . . 71 VAL HG2 . 10019 1 56 . 1 1 8 8 VAL HG23 H 1 0.519 0.020 . 2 . . . . 71 VAL HG2 . 10019 1 57 . 1 1 9 9 ASN H H 1 7.918 0.020 . 1 . . . . 72 ASN H . 10019 1 58 . 1 1 9 9 ASN HA H 1 4.722 0.020 . 1 . . . . 72 ASN HA . 10019 1 59 . 1 1 9 9 ASN HB2 H 1 2.917 0.020 . 2 . . . . 72 ASN HB2 . 10019 1 60 . 1 1 9 9 ASN HB3 H 1 2.693 0.020 . 2 . . . . 72 ASN HB3 . 10019 1 61 . 1 1 9 9 ASN HD21 H 1 7.613 0.020 . 2 . . . . 72 ASN HD21 . 10019 1 62 . 1 1 9 9 ASN HD22 H 1 6.913 0.020 . 2 . . . . 72 ASN HD22 . 10019 1 63 . 1 1 10 10 ALA H H 1 7.261 0.020 . 1 . . . . 73 ALA H . 10019 1 64 . 1 1 10 10 ALA HA H 1 3.957 0.020 . 1 . . . . 73 ALA HA . 10019 1 65 . 1 1 10 10 ALA HB1 H 1 1.223 0.020 . 1 . . . . 73 ALA HB . 10019 1 66 . 1 1 10 10 ALA HB2 H 1 1.223 0.020 . 1 . . . . 73 ALA HB . 10019 1 67 . 1 1 10 10 ALA HB3 H 1 1.223 0.020 . 1 . . . . 73 ALA HB . 10019 1 68 . 1 1 11 11 LYS H H 1 8.609 0.020 . 1 . . . . 74 LYS H . 10019 1 69 . 1 1 11 11 LYS HA H 1 4.366 0.020 . 1 . . . . 74 LYS HA . 10019 1 70 . 1 1 11 11 LYS HB2 H 1 1.763 0.020 . 1 . . . . 74 LYS HB2 . 10019 1 71 . 1 1 11 11 LYS HB3 H 1 1.763 0.020 . 1 . . . . 74 LYS HB3 . 10019 1 72 . 1 1 12 12 PRO HA H 1 4.351 0.020 . 1 . . . . 75 PRO HA . 10019 1 73 . 1 1 12 12 PRO HD2 H 1 4.085 0.020 . 2 . . . . 75 PRO HD2 . 10019 1 74 . 1 1 12 12 PRO HD3 H 1 3.842 0.020 . 2 . . . . 75 PRO HD3 . 10019 1 75 . 1 1 13 13 PHE H H 1 8.095 0.020 . 1 . . . . 76 PHE H . 10019 1 76 . 1 1 13 13 PHE HA H 1 4.387 0.020 . 1 . . . . 76 PHE HA . 10019 1 77 . 1 1 13 13 PHE HB2 H 1 2.807 0.020 . 1 . . . . 76 PHE HB2 . 10019 1 78 . 1 1 13 13 PHE HB3 H 1 2.807 0.020 . 1 . . . . 76 PHE HB3 . 10019 1 79 . 1 1 13 13 PHE HD1 H 1 6.923 0.020 . 1 . . . . 76 PHE HD1 . 10019 1 80 . 1 1 13 13 PHE HD2 H 1 6.923 0.020 . 1 . . . . 76 PHE HD2 . 10019 1 81 . 1 1 13 13 PHE HE1 H 1 7.141 0.020 . 1 . . . . 76 PHE HE1 . 10019 1 82 . 1 1 13 13 PHE HE2 H 1 7.141 0.020 . 1 . . . . 76 PHE HE2 . 10019 1 83 . 1 1 13 13 PHE HZ H 1 7.201 0.020 . 1 . . . . 76 PHE HZ . 10019 1 84 . 1 1 14 14 VAL H H 1 7.392 0.020 . 1 . . . . 77 VAL H . 10019 1 85 . 1 1 14 14 VAL HA H 1 3.942 0.020 . 1 . . . . 77 VAL HA . 10019 1 86 . 1 1 14 14 VAL HB H 1 1.785 0.020 . 1 . . . . 77 VAL HB . 10019 1 87 . 1 1 14 14 VAL HG11 H 1 1.571 0.020 . 2 . . . . 77 VAL HG1 . 10019 1 88 . 1 1 14 14 VAL HG12 H 1 1.571 0.020 . 2 . . . . 77 VAL HG1 . 10019 1 89 . 1 1 14 14 VAL HG13 H 1 1.571 0.020 . 2 . . . . 77 VAL HG1 . 10019 1 90 . 1 1 14 14 VAL HG21 H 1 0.665 0.020 . 2 . . . . 77 VAL HG2 . 10019 1 91 . 1 1 14 14 VAL HG22 H 1 0.665 0.020 . 2 . . . . 77 VAL HG2 . 10019 1 92 . 1 1 14 14 VAL HG23 H 1 0.665 0.020 . 2 . . . . 77 VAL HG2 . 10019 1 93 . 1 1 15 15 PRO HA H 1 3.958 0.020 . 1 . . . . 78 PRO HA . 10019 1 94 . 1 1 15 15 PRO HB2 H 1 1.940 0.020 . 2 . . . . 78 PRO HB2 . 10019 1 95 . 1 1 15 15 PRO HB3 H 1 1.727 0.020 . 2 . . . . 78 PRO HB3 . 10019 1 96 . 1 1 15 15 PRO HG2 H 1 2.434 0.020 . 2 . . . . 78 PRO HG2 . 10019 1 97 . 1 1 15 15 PRO HG3 H 1 2.201 0.020 . 2 . . . . 78 PRO HG3 . 10019 1 98 . 1 1 15 15 PRO HD2 H 1 3.691 0.020 . 2 . . . . 78 PRO HD2 . 10019 1 99 . 1 1 15 15 PRO HD3 H 1 3.203 0.020 . 2 . . . . 78 PRO HD3 . 10019 1 100 . 1 1 16 16 ASN H H 1 9.485 0.020 . 1 . . . . 79 ASN H . 10019 1 101 . 1 1 16 16 ASN HA H 1 4.479 0.020 . 1 . . . . 79 ASN HA . 10019 1 102 . 1 1 16 16 ASN HB2 H 1 2.686 0.020 . 1 . . . . 79 ASN HB2 . 10019 1 103 . 1 1 16 16 ASN HB3 H 1 2.686 0.020 . 1 . . . . 79 ASN HB3 . 10019 1 104 . 1 1 16 16 ASN HD21 H 1 7.571 0.020 . 2 . . . . 79 ASN HD21 . 10019 1 105 . 1 1 16 16 ASN HD22 H 1 6.857 0.020 . 2 . . . . 79 ASN HD22 . 10019 1 106 . 1 1 17 17 VAL H H 1 7.918 0.020 . 1 . . . . 80 VAL H . 10019 1 107 . 1 1 17 17 VAL HA H 1 4.004 0.020 . 1 . . . . 80 VAL HA . 10019 1 108 . 1 1 17 17 VAL HG11 H 1 1.951 0.020 . 2 . . . . 80 VAL HG1 . 10019 1 109 . 1 1 17 17 VAL HG12 H 1 1.951 0.020 . 2 . . . . 80 VAL HG1 . 10019 1 110 . 1 1 17 17 VAL HG13 H 1 1.951 0.020 . 2 . . . . 80 VAL HG1 . 10019 1 111 . 1 1 17 17 VAL HG21 H 1 0.784 0.020 . 2 . . . . 80 VAL HG2 . 10019 1 112 . 1 1 17 17 VAL HG22 H 1 0.784 0.020 . 2 . . . . 80 VAL HG2 . 10019 1 113 . 1 1 17 17 VAL HG23 H 1 0.784 0.020 . 2 . . . . 80 VAL HG2 . 10019 1 114 . 1 1 18 18 HIS H H 1 8.320 0.020 . 1 . . . . 81 HIS H . 10019 1 115 . 1 1 18 18 HIS HA H 1 4.631 0.020 . 1 . . . . 81 HIS HA . 10019 1 116 . 1 1 18 18 HIS HB2 H 1 3.164 0.020 . 2 . . . . 81 HIS HB2 . 10019 1 117 . 1 1 18 18 HIS HB3 H 1 3.080 0.020 . 2 . . . . 81 HIS HB3 . 10019 1 118 . 1 1 18 18 HIS HD1 H 1 7.116 0.020 . 1 . . . . 81 HIS HD1 . 10019 1 119 . 1 1 19 19 ALA H H 1 8.080 0.020 . 1 . . . . 82 ALA H . 10019 1 120 . 1 1 19 19 ALA HA H 1 4.117 0.020 . 1 . . . . 82 ALA HA . 10019 1 121 . 1 1 19 19 ALA HB1 H 1 1.337 0.020 . 1 . . . . 82 ALA HB . 10019 1 122 . 1 1 19 19 ALA HB2 H 1 1.337 0.020 . 1 . . . . 82 ALA HB . 10019 1 123 . 1 1 19 19 ALA HB3 H 1 1.337 0.020 . 1 . . . . 82 ALA HB . 10019 1 124 . 2 2 1 1 GLY H H 1 8.405 0.020 . 1 . . . . 541 GLY H . 10019 1 125 . 2 2 1 1 GLY HA2 H 1 3.924 0.020 . 1 . . . . 541 GLY HA2 . 10019 1 126 . 2 2 1 1 GLY HA3 H 1 3.924 0.020 . 1 . . . . 541 GLY HA3 . 10019 1 127 . 2 2 1 1 GLY CA C 13 42.990 0.400 . 1 . . . . 541 GLY CA . 10019 1 128 . 2 2 1 1 GLY N N 15 110.045 0.400 . 1 . . . . 541 GLY N . 10019 1 129 . 2 2 2 2 GLN H H 1 8.133 0.020 . 1 . . . . 542 GLN H . 10019 1 130 . 2 2 2 2 GLN HA H 1 4.332 0.020 . 1 . . . . 542 GLN HA . 10019 1 131 . 2 2 2 2 GLN HB2 H 1 2.056 0.020 . 2 . . . . 542 GLN HB2 . 10019 1 132 . 2 2 2 2 GLN HB3 H 1 1.893 0.020 . 2 . . . . 542 GLN HB3 . 10019 1 133 . 2 2 2 2 GLN HG2 H 1 2.282 0.020 . 1 . . . . 542 GLN HG2 . 10019 1 134 . 2 2 2 2 GLN HG3 H 1 2.282 0.020 . 1 . . . . 542 GLN HG3 . 10019 1 135 . 2 2 2 2 GLN CA C 13 53.161 0.400 . 1 . . . . 542 GLN CA . 10019 1 136 . 2 2 2 2 GLN CB C 13 27.510 0.400 . 1 . . . . 542 GLN CB . 10019 1 137 . 2 2 2 2 GLN CG C 13 31.668 0.400 . 1 . . . . 542 GLN CG . 10019 1 138 . 2 2 2 2 GLN N N 15 119.387 0.400 . 1 . . . . 542 GLN N . 10019 1 139 . 2 2 3 3 GLU H H 1 8.568 0.020 . 1 . . . . 543 GLU H . 10019 1 140 . 2 2 3 3 GLU HA H 1 4.508 0.020 . 1 . . . . 543 GLU HA . 10019 1 141 . 2 2 3 3 GLU HB2 H 1 2.005 0.020 . 2 . . . . 543 GLU HB2 . 10019 1 142 . 2 2 3 3 GLU HB3 H 1 1.862 0.020 . 2 . . . . 543 GLU HB3 . 10019 1 143 . 2 2 3 3 GLU HG2 H 1 2.257 0.020 . 1 . . . . 543 GLU HG2 . 10019 1 144 . 2 2 3 3 GLU HG3 H 1 2.257 0.020 . 1 . . . . 543 GLU HG3 . 10019 1 145 . 2 2 3 3 GLU CA C 13 52.419 0.400 . 1 . . . . 543 GLU CA . 10019 1 146 . 2 2 3 3 GLU CB C 13 27.226 0.400 . 1 . . . . 543 GLU CB . 10019 1 147 . 2 2 3 3 GLU N N 15 124.430 0.400 . 1 . . . . 543 GLU N . 10019 1 148 . 2 2 4 4 PRO HA H 1 4.329 0.020 . 1 . . . . 544 PRO HA . 10019 1 149 . 2 2 4 4 PRO HB2 H 1 2.258 0.020 . 2 . . . . 544 PRO HB2 . 10019 1 150 . 2 2 4 4 PRO HB3 H 1 1.751 0.020 . 2 . . . . 544 PRO HB3 . 10019 1 151 . 2 2 4 4 PRO HG2 H 1 1.987 0.020 . 2 . . . . 544 PRO HG2 . 10019 1 152 . 2 2 4 4 PRO HG3 H 1 1.965 0.020 . 2 . . . . 544 PRO HG3 . 10019 1 153 . 2 2 4 4 PRO HD2 H 1 3.810 0.020 . 2 . . . . 544 PRO HD2 . 10019 1 154 . 2 2 4 4 PRO HD3 H 1 3.654 0.020 . 2 . . . . 544 PRO HD3 . 10019 1 155 . 2 2 4 4 PRO CA C 13 60.975 0.400 . 1 . . . . 544 PRO CA . 10019 1 156 . 2 2 4 4 PRO CB C 13 29.904 0.400 . 1 . . . . 544 PRO CB . 10019 1 157 . 2 2 4 4 PRO CG C 13 25.033 0.400 . 1 . . . . 544 PRO CG . 10019 1 158 . 2 2 4 4 PRO CD C 13 48.511 0.400 . 1 . . . . 544 PRO CD . 10019 1 159 . 2 2 5 5 LEU H H 1 8.362 0.020 . 1 . . . . 545 LEU H . 10019 1 160 . 2 2 5 5 LEU HA H 1 4.530 0.020 . 1 . . . . 545 LEU HA . 10019 1 161 . 2 2 5 5 LEU HB2 H 1 1.478 0.020 . 2 . . . . 545 LEU HB2 . 10019 1 162 . 2 2 5 5 LEU HB3 H 1 1.312 0.020 . 2 . . . . 545 LEU HB3 . 10019 1 163 . 2 2 5 5 LEU HD11 H 1 0.855 0.020 . 2 . . . . 545 LEU HD1 . 10019 1 164 . 2 2 5 5 LEU HD12 H 1 0.855 0.020 . 2 . . . . 545 LEU HD1 . 10019 1 165 . 2 2 5 5 LEU HD13 H 1 0.855 0.020 . 2 . . . . 545 LEU HD1 . 10019 1 166 . 2 2 5 5 LEU HD21 H 1 0.742 0.020 . 2 . . . . 545 LEU HD2 . 10019 1 167 . 2 2 5 5 LEU HD22 H 1 0.742 0.020 . 2 . . . . 545 LEU HD2 . 10019 1 168 . 2 2 5 5 LEU HD23 H 1 0.742 0.020 . 2 . . . . 545 LEU HD2 . 10019 1 169 . 2 2 5 5 LEU CA C 13 52.504 0.400 . 1 . . . . 545 LEU CA . 10019 1 170 . 2 2 5 5 LEU CB C 13 40.918 0.400 . 1 . . . . 545 LEU CB . 10019 1 171 . 2 2 5 5 LEU CD1 C 13 22.759 0.400 . 1 . . . . 545 LEU CD1 . 10019 1 172 . 2 2 5 5 LEU CD2 C 13 23.395 0.400 . 1 . . . . 545 LEU CD2 . 10019 1 173 . 2 2 5 5 LEU N N 15 122.699 0.400 . 1 . . . . 545 LEU N . 10019 1 174 . 2 2 6 6 THR H H 1 7.263 0.020 . 1 . . . . 546 THR H . 10019 1 175 . 2 2 6 6 THR HA H 1 4.618 0.020 . 1 . . . . 546 THR HA . 10019 1 176 . 2 2 6 6 THR HB H 1 4.599 0.020 . 1 . . . . 546 THR HB . 10019 1 177 . 2 2 6 6 THR HG21 H 1 1.167 0.020 . 1 . . . . 546 THR HG2 . 10019 1 178 . 2 2 6 6 THR HG22 H 1 1.167 0.020 . 1 . . . . 546 THR HG2 . 10019 1 179 . 2 2 6 6 THR HG23 H 1 1.167 0.020 . 1 . . . . 546 THR HG2 . 10019 1 180 . 2 2 6 6 THR CA C 13 56.808 0.400 . 1 . . . . 546 THR CA . 10019 1 181 . 2 2 6 6 THR CB C 13 69.713 0.400 . 1 . . . . 546 THR CB . 10019 1 182 . 2 2 6 6 THR CG2 C 13 19.520 0.400 . 1 . . . . 546 THR CG2 . 10019 1 183 . 2 2 6 6 THR N N 15 113.316 0.400 . 1 . . . . 546 THR N . 10019 1 184 . 2 2 7 7 ALA H H 1 9.052 0.020 . 1 . . . . 547 ALA H . 10019 1 185 . 2 2 7 7 ALA HA H 1 3.920 0.020 . 1 . . . . 547 ALA HA . 10019 1 186 . 2 2 7 7 ALA HB1 H 1 1.405 0.020 . 1 . . . . 547 ALA HB . 10019 1 187 . 2 2 7 7 ALA HB2 H 1 1.405 0.020 . 1 . . . . 547 ALA HB . 10019 1 188 . 2 2 7 7 ALA HB3 H 1 1.405 0.020 . 1 . . . . 547 ALA HB . 10019 1 189 . 2 2 7 7 ALA CA C 13 53.148 0.400 . 1 . . . . 547 ALA CA . 10019 1 190 . 2 2 7 7 ALA CB C 13 15.523 0.400 . 1 . . . . 547 ALA CB . 10019 1 191 . 2 2 7 7 ALA N N 15 123.403 0.400 . 1 . . . . 547 ALA N . 10019 1 192 . 2 2 8 8 SER HA H 1 4.157 0.020 . 1 . . . . 548 SER HA . 10019 1 193 . 2 2 8 8 SER HB2 H 1 3.813 0.020 . 1 . . . . 548 SER HB2 . 10019 1 194 . 2 2 8 8 SER HB3 H 1 3.813 0.020 . 1 . . . . 548 SER HB3 . 10019 1 195 . 2 2 8 8 SER CA C 13 58.965 0.400 . 1 . . . . 548 SER CA . 10019 1 196 . 2 2 8 8 SER CB C 13 60.310 0.400 . 1 . . . . 548 SER CB . 10019 1 197 . 2 2 9 9 MET H H 1 7.582 0.020 . 1 . . . . 549 MET H . 10019 1 198 . 2 2 9 9 MET HA H 1 4.073 0.020 . 1 . . . . 549 MET HA . 10019 1 199 . 2 2 9 9 MET HB2 H 1 2.159 0.020 . 2 . . . . 549 MET HB2 . 10019 1 200 . 2 2 9 9 MET HB3 H 1 2.119 0.020 . 2 . . . . 549 MET HB3 . 10019 1 201 . 2 2 9 9 MET HG2 H 1 2.552 0.020 . 2 . . . . 549 MET HG2 . 10019 1 202 . 2 2 9 9 MET HG3 H 1 2.480 0.020 . 2 . . . . 549 MET HG3 . 10019 1 203 . 2 2 9 9 MET HE1 H 1 2.077 0.020 . 1 . . . . 549 MET HE . 10019 1 204 . 2 2 9 9 MET HE2 H 1 2.077 0.020 . 1 . . . . 549 MET HE . 10019 1 205 . 2 2 9 9 MET HE3 H 1 2.077 0.020 . 1 . . . . 549 MET HE . 10019 1 206 . 2 2 9 9 MET CA C 13 56.179 0.400 . 1 . . . . 549 MET CA . 10019 1 207 . 2 2 9 9 MET CB C 13 31.572 0.400 . 1 . . . . 549 MET CB . 10019 1 208 . 2 2 9 9 MET CG C 13 29.527 0.400 . 1 . . . . 549 MET CG . 10019 1 209 . 2 2 9 9 MET CE C 13 14.870 0.400 . 1 . . . . 549 MET CE . 10019 1 210 . 2 2 9 9 MET N N 15 122.297 0.400 . 1 . . . . 549 MET N . 10019 1 211 . 2 2 10 10 LEU H H 1 7.701 0.020 . 1 . . . . 550 LEU H . 10019 1 212 . 2 2 10 10 LEU HA H 1 3.998 0.020 . 1 . . . . 550 LEU HA . 10019 1 213 . 2 2 10 10 LEU HB2 H 1 2.134 0.020 . 2 . . . . 550 LEU HB2 . 10019 1 214 . 2 2 10 10 LEU HB3 H 1 1.659 0.020 . 2 . . . . 550 LEU HB3 . 10019 1 215 . 2 2 10 10 LEU HD11 H 1 0.900 0.020 . 2 . . . . 550 LEU HD1 . 10019 1 216 . 2 2 10 10 LEU HD12 H 1 0.900 0.020 . 2 . . . . 550 LEU HD1 . 10019 1 217 . 2 2 10 10 LEU HD13 H 1 0.900 0.020 . 2 . . . . 550 LEU HD1 . 10019 1 218 . 2 2 10 10 LEU HD21 H 1 0.887 0.020 . 2 . . . . 550 LEU HD2 . 10019 1 219 . 2 2 10 10 LEU HD22 H 1 0.887 0.020 . 2 . . . . 550 LEU HD2 . 10019 1 220 . 2 2 10 10 LEU HD23 H 1 0.887 0.020 . 2 . . . . 550 LEU HD2 . 10019 1 221 . 2 2 10 10 LEU CA C 13 55.832 0.400 . 1 . . . . 550 LEU CA . 10019 1 222 . 2 2 10 10 LEU CB C 13 40.032 0.400 . 1 . . . . 550 LEU CB . 10019 1 223 . 2 2 10 10 LEU CD1 C 13 23.643 0.400 . 1 . . . . 550 LEU CD1 . 10019 1 224 . 2 2 10 10 LEU CD2 C 13 22.939 0.400 . 1 . . . . 550 LEU CD2 . 10019 1 225 . 2 2 10 10 LEU N N 15 118.604 0.400 . 1 . . . . 550 LEU N . 10019 1 226 . 2 2 11 11 ALA H H 1 7.707 0.020 . 1 . . . . 551 ALA H . 10019 1 227 . 2 2 11 11 ALA HA H 1 4.027 0.020 . 1 . . . . 551 ALA HA . 10019 1 228 . 2 2 11 11 ALA HB1 H 1 1.435 0.020 . 1 . . . . 551 ALA HB . 10019 1 229 . 2 2 11 11 ALA HB2 H 1 1.435 0.020 . 1 . . . . 551 ALA HB . 10019 1 230 . 2 2 11 11 ALA HB3 H 1 1.435 0.020 . 1 . . . . 551 ALA HB . 10019 1 231 . 2 2 11 11 ALA CA C 13 52.006 0.400 . 1 . . . . 551 ALA CA . 10019 1 232 . 2 2 11 11 ALA CB C 13 16.288 0.400 . 1 . . . . 551 ALA CB . 10019 1 233 . 2 2 11 11 ALA N N 15 117.007 0.400 . 1 . . . . 551 ALA N . 10019 1 234 . 2 2 12 12 SER H H 1 7.349 0.020 . 1 . . . . 552 SER H . 10019 1 235 . 2 2 12 12 SER HA H 1 4.369 0.020 . 1 . . . . 552 SER HA . 10019 1 236 . 2 2 12 12 SER HB2 H 1 3.929 0.020 . 1 . . . . 552 SER HB2 . 10019 1 237 . 2 2 12 12 SER HB3 H 1 3.929 0.020 . 1 . . . . 552 SER HB3 . 10019 1 238 . 2 2 12 12 SER CA C 13 56.436 0.400 . 1 . . . . 552 SER CA . 10019 1 239 . 2 2 12 12 SER CB C 13 61.675 0.400 . 1 . . . . 552 SER CB . 10019 1 240 . 2 2 12 12 SER N N 15 110.400 0.400 . 1 . . . . 552 SER N . 10019 1 241 . 2 2 13 13 ALA H H 1 7.595 0.020 . 1 . . . . 553 ALA H . 10019 1 242 . 2 2 13 13 ALA HA H 1 4.834 0.020 . 1 . . . . 553 ALA HA . 10019 1 243 . 2 2 13 13 ALA HB1 H 1 1.374 0.020 . 1 . . . . 553 ALA HB . 10019 1 244 . 2 2 13 13 ALA HB2 H 1 1.374 0.020 . 1 . . . . 553 ALA HB . 10019 1 245 . 2 2 13 13 ALA HB3 H 1 1.374 0.020 . 1 . . . . 553 ALA HB . 10019 1 246 . 2 2 13 13 ALA CA C 13 47.378 0.400 . 1 . . . . 553 ALA CA . 10019 1 247 . 2 2 13 13 ALA CB C 13 17.146 0.400 . 1 . . . . 553 ALA CB . 10019 1 248 . 2 2 13 13 ALA N N 15 126.778 0.400 . 1 . . . . 553 ALA N . 10019 1 249 . 2 2 14 14 PRO HA H 1 4.759 0.020 . 1 . . . . 554 PRO HA . 10019 1 250 . 2 2 14 14 PRO HB2 H 1 2.499 0.020 . 2 . . . . 554 PRO HB2 . 10019 1 251 . 2 2 14 14 PRO HB3 H 1 1.982 0.020 . 2 . . . . 554 PRO HB3 . 10019 1 252 . 2 2 14 14 PRO HG2 H 1 2.086 0.020 . 2 . . . . 554 PRO HG2 . 10019 1 253 . 2 2 14 14 PRO HG3 H 1 2.051 0.020 . 2 . . . . 554 PRO HG3 . 10019 1 254 . 2 2 14 14 PRO HD2 H 1 3.887 0.020 . 2 . . . . 554 PRO HD2 . 10019 1 255 . 2 2 14 14 PRO HD3 H 1 3.651 0.020 . 2 . . . . 554 PRO HD3 . 10019 1 256 . 2 2 14 14 PRO CA C 13 59.484 0.400 . 1 . . . . 554 PRO CA . 10019 1 257 . 2 2 14 14 PRO CB C 13 28.889 0.400 . 1 . . . . 554 PRO CB . 10019 1 258 . 2 2 14 14 PRO CD C 13 48.200 0.400 . 1 . . . . 554 PRO CD . 10019 1 259 . 2 2 15 15 PRO HA H 1 4.116 0.020 . 1 . . . . 555 PRO HA . 10019 1 260 . 2 2 15 15 PRO HB2 H 1 2.389 0.020 . 2 . . . . 555 PRO HB2 . 10019 1 261 . 2 2 15 15 PRO HB3 H 1 1.998 0.020 . 2 . . . . 555 PRO HB3 . 10019 1 262 . 2 2 15 15 PRO HG2 H 1 2.209 0.020 . 2 . . . . 555 PRO HG2 . 10019 1 263 . 2 2 15 15 PRO HG3 H 1 2.048 0.020 . 2 . . . . 555 PRO HG3 . 10019 1 264 . 2 2 15 15 PRO HD2 H 1 3.897 0.020 . 2 . . . . 555 PRO HD2 . 10019 1 265 . 2 2 15 15 PRO HD3 H 1 3.793 0.020 . 2 . . . . 555 PRO HD3 . 10019 1 266 . 2 2 15 15 PRO CA C 13 64.272 0.400 . 1 . . . . 555 PRO CA . 10019 1 267 . 2 2 15 15 PRO CB C 13 29.845 0.400 . 1 . . . . 555 PRO CB . 10019 1 268 . 2 2 15 15 PRO CG C 13 25.254 0.400 . 1 . . . . 555 PRO CG . 10019 1 269 . 2 2 15 15 PRO CD C 13 48.185 0.400 . 1 . . . . 555 PRO CD . 10019 1 270 . 2 2 16 16 GLN H H 1 9.172 0.020 . 1 . . . . 556 GLN H . 10019 1 271 . 2 2 16 16 GLN HA H 1 4.171 0.020 . 1 . . . . 556 GLN HA . 10019 1 272 . 2 2 16 16 GLN HB2 H 1 2.119 0.020 . 1 . . . . 556 GLN HB2 . 10019 1 273 . 2 2 16 16 GLN HB3 H 1 2.119 0.020 . 1 . . . . 556 GLN HB3 . 10019 1 274 . 2 2 16 16 GLN CA C 13 56.567 0.400 . 1 . . . . 556 GLN CA . 10019 1 275 . 2 2 16 16 GLN CB C 13 25.200 0.400 . 1 . . . . 556 GLN CB . 10019 1 276 . 2 2 16 16 GLN CG C 13 31.437 0.400 . 1 . . . . 556 GLN CG . 10019 1 277 . 2 2 16 16 GLN N N 15 116.250 0.400 . 1 . . . . 556 GLN N . 10019 1 278 . 2 2 17 17 GLU H H 1 7.562 0.020 . 1 . . . . 557 GLU H . 10019 1 279 . 2 2 17 17 GLU HA H 1 4.308 0.020 . 1 . . . . 557 GLU HA . 10019 1 280 . 2 2 17 17 GLU HB2 H 1 2.161 0.020 . 2 . . . . 557 GLU HB2 . 10019 1 281 . 2 2 17 17 GLU HB3 H 1 2.014 0.020 . 2 . . . . 557 GLU HB3 . 10019 1 282 . 2 2 17 17 GLU HG2 H 1 2.307 0.020 . 1 . . . . 557 GLU HG2 . 10019 1 283 . 2 2 17 17 GLU HG3 H 1 2.307 0.020 . 1 . . . . 557 GLU HG3 . 10019 1 284 . 2 2 17 17 GLU CA C 13 55.868 0.400 . 1 . . . . 557 GLU CA . 10019 1 285 . 2 2 17 17 GLU CB C 13 27.495 0.400 . 1 . . . . 557 GLU CB . 10019 1 286 . 2 2 17 17 GLU N N 15 120.352 0.400 . 1 . . . . 557 GLU N . 10019 1 287 . 2 2 18 18 GLN H H 1 7.976 0.020 . 1 . . . . 558 GLN H . 10019 1 288 . 2 2 18 18 GLN HA H 1 3.906 0.020 . 1 . . . . 558 GLN HA . 10019 1 289 . 2 2 18 18 GLN HB2 H 1 2.328 0.020 . 2 . . . . 558 GLN HB2 . 10019 1 290 . 2 2 18 18 GLN HB3 H 1 1.849 0.020 . 2 . . . . 558 GLN HB3 . 10019 1 291 . 2 2 18 18 GLN HG2 H 1 2.579 0.020 . 2 . . . . 558 GLN HG2 . 10019 1 292 . 2 2 18 18 GLN HG3 H 1 2.501 0.020 . 2 . . . . 558 GLN HG3 . 10019 1 293 . 2 2 18 18 GLN HE21 H 1 7.527 0.020 . 2 . . . . 558 GLN HE21 . 10019 1 294 . 2 2 18 18 GLN HE22 H 1 6.653 0.020 . 2 . . . . 558 GLN HE22 . 10019 1 295 . 2 2 18 18 GLN CA C 13 57.467 0.400 . 1 . . . . 558 GLN CA . 10019 1 296 . 2 2 18 18 GLN CB C 13 26.071 0.400 . 1 . . . . 558 GLN CB . 10019 1 297 . 2 2 18 18 GLN CG C 13 31.876 0.400 . 1 . . . . 558 GLN CG . 10019 1 298 . 2 2 18 18 GLN N N 15 119.123 0.400 . 1 . . . . 558 GLN N . 10019 1 299 . 2 2 18 18 GLN NE2 N 15 111.595 0.400 . 1 . . . . 558 GLN NE2 . 10019 1 300 . 2 2 19 19 LYS H H 1 7.478 0.020 . 1 . . . . 559 LYS H . 10019 1 301 . 2 2 19 19 LYS HA H 1 4.006 0.020 . 1 . . . . 559 LYS HA . 10019 1 302 . 2 2 19 19 LYS HB2 H 1 2.136 0.020 . 2 . . . . 559 LYS HB2 . 10019 1 303 . 2 2 19 19 LYS HB3 H 1 1.802 0.020 . 2 . . . . 559 LYS HB3 . 10019 1 304 . 2 2 19 19 LYS HG2 H 1 1.679 0.020 . 2 . . . . 559 LYS HG2 . 10019 1 305 . 2 2 19 19 LYS HG3 H 1 1.571 0.020 . 2 . . . . 559 LYS HG3 . 10019 1 306 . 2 2 19 19 LYS HE2 H 1 3.026 0.020 . 2 . . . . 559 LYS HE2 . 10019 1 307 . 2 2 19 19 LYS CA C 13 55.339 0.400 . 1 . . . . 559 LYS CA . 10019 1 308 . 2 2 19 19 LYS CB C 13 29.581 0.400 . 1 . . . . 559 LYS CB . 10019 1 309 . 2 2 19 19 LYS CG C 13 21.604 0.400 . 1 . . . . 559 LYS CG . 10019 1 310 . 2 2 19 19 LYS CD C 13 25.284 0.400 . 1 . . . . 559 LYS CD . 10019 1 311 . 2 2 19 19 LYS CE C 13 40.938 0.400 . 1 . . . . 559 LYS CE . 10019 1 312 . 2 2 19 19 LYS N N 15 113.219 0.400 . 1 . . . . 559 LYS N . 10019 1 313 . 2 2 20 20 GLN H H 1 7.607 0.020 . 1 . . . . 560 GLN H . 10019 1 314 . 2 2 20 20 GLN HA H 1 4.026 0.020 . 1 . . . . 560 GLN HA . 10019 1 315 . 2 2 20 20 GLN HB2 H 1 2.288 0.020 . 1 . . . . 560 GLN HB2 . 10019 1 316 . 2 2 20 20 GLN HB3 H 1 2.288 0.020 . 1 . . . . 560 GLN HB3 . 10019 1 317 . 2 2 20 20 GLN CA C 13 57.188 0.400 . 1 . . . . 560 GLN CA . 10019 1 318 . 2 2 20 20 GLN CB C 13 25.332 0.400 . 1 . . . . 560 GLN CB . 10019 1 319 . 2 2 20 20 GLN CG C 13 30.621 0.400 . 1 . . . . 560 GLN CG . 10019 1 320 . 2 2 20 20 GLN N N 15 119.376 0.400 . 1 . . . . 560 GLN N . 10019 1 321 . 2 2 21 21 MET H H 1 8.371 0.020 . 1 . . . . 561 MET H . 10019 1 322 . 2 2 21 21 MET HA H 1 3.989 0.020 . 1 . . . . 561 MET HA . 10019 1 323 . 2 2 21 21 MET HB2 H 1 2.189 0.020 . 2 . . . . 561 MET HB2 . 10019 1 324 . 2 2 21 21 MET HB3 H 1 1.989 0.020 . 2 . . . . 561 MET HB3 . 10019 1 325 . 2 2 21 21 MET HG2 H 1 2.752 0.020 . 1 . . . . 561 MET HG2 . 10019 1 326 . 2 2 21 21 MET HG3 H 1 2.752 0.020 . 1 . . . . 561 MET HG3 . 10019 1 327 . 2 2 21 21 MET HE1 H 1 1.981 0.020 . 1 . . . . 561 MET HE . 10019 1 328 . 2 2 21 21 MET HE2 H 1 1.981 0.020 . 1 . . . . 561 MET HE . 10019 1 329 . 2 2 21 21 MET HE3 H 1 1.981 0.020 . 1 . . . . 561 MET HE . 10019 1 330 . 2 2 21 21 MET CA C 13 57.167 0.400 . 1 . . . . 561 MET CA . 10019 1 331 . 2 2 21 21 MET CB C 13 31.687 0.400 . 1 . . . . 561 MET CB . 10019 1 332 . 2 2 21 21 MET CG C 13 29.873 0.400 . 1 . . . . 561 MET CG . 10019 1 333 . 2 2 21 21 MET CE C 13 14.660 0.400 . 1 . . . . 561 MET CE . 10019 1 334 . 2 2 21 21 MET N N 15 117.591 0.400 . 1 . . . . 561 MET N . 10019 1 335 . 2 2 22 22 LEU H H 1 7.735 0.020 . 1 . . . . 562 LEU H . 10019 1 336 . 2 2 22 22 LEU HA H 1 3.791 0.020 . 1 . . . . 562 LEU HA . 10019 1 337 . 2 2 22 22 LEU HB2 H 1 1.852 0.020 . 2 . . . . 562 LEU HB2 . 10019 1 338 . 2 2 22 22 LEU HB3 H 1 0.998 0.020 . 2 . . . . 562 LEU HB3 . 10019 1 339 . 2 2 22 22 LEU HD11 H 1 0.763 0.020 . 2 . . . . 562 LEU HD1 . 10019 1 340 . 2 2 22 22 LEU HD12 H 1 0.763 0.020 . 2 . . . . 562 LEU HD1 . 10019 1 341 . 2 2 22 22 LEU HD13 H 1 0.763 0.020 . 2 . . . . 562 LEU HD1 . 10019 1 342 . 2 2 22 22 LEU HD21 H 1 0.670 0.020 . 2 . . . . 562 LEU HD2 . 10019 1 343 . 2 2 22 22 LEU HD22 H 1 0.670 0.020 . 2 . . . . 562 LEU HD2 . 10019 1 344 . 2 2 22 22 LEU HD23 H 1 0.670 0.020 . 2 . . . . 562 LEU HD2 . 10019 1 345 . 2 2 22 22 LEU CA C 13 55.772 0.400 . 1 . . . . 562 LEU CA . 10019 1 346 . 2 2 22 22 LEU CB C 13 40.197 0.400 . 1 . . . . 562 LEU CB . 10019 1 347 . 2 2 22 22 LEU CD1 C 13 24.022 0.400 . 1 . . . . 562 LEU CD1 . 10019 1 348 . 2 2 22 22 LEU CD2 C 13 21.563 0.400 . 1 . . . . 562 LEU CD2 . 10019 1 349 . 2 2 22 22 LEU N N 15 118.748 0.400 . 1 . . . . 562 LEU N . 10019 1 350 . 2 2 23 23 GLY H H 1 8.906 0.020 . 1 . . . . 563 GLY H . 10019 1 351 . 2 2 23 23 GLY HA2 H 1 2.738 0.020 . 2 . . . . 563 GLY HA2 . 10019 1 352 . 2 2 23 23 GLY HA3 H 1 2.914 0.020 . 2 . . . . 563 GLY HA3 . 10019 1 353 . 2 2 23 23 GLY CA C 13 45.869 0.400 . 1 . . . . 563 GLY CA . 10019 1 354 . 2 2 23 23 GLY N N 15 109.141 0.400 . 1 . . . . 563 GLY N . 10019 1 355 . 2 2 24 24 GLU H H 1 8.438 0.020 . 1 . . . . 564 GLU H . 10019 1 356 . 2 2 24 24 GLU HA H 1 4.190 0.020 . 1 . . . . 564 GLU HA . 10019 1 357 . 2 2 24 24 GLU HB2 H 1 2.136 0.020 . 1 . . . . 564 GLU HB2 . 10019 1 358 . 2 2 24 24 GLU HB3 H 1 2.136 0.020 . 1 . . . . 564 GLU HB3 . 10019 1 359 . 2 2 24 24 GLU HG2 H 1 2.732 0.020 . 2 . . . . 564 GLU HG2 . 10019 1 360 . 2 2 24 24 GLU HG3 H 1 2.621 0.020 . 2 . . . . 564 GLU HG3 . 10019 1 361 . 2 2 24 24 GLU CA C 13 56.432 0.400 . 1 . . . . 564 GLU CA . 10019 1 362 . 2 2 24 24 GLU CB C 13 27.055 0.400 . 1 . . . . 564 GLU CB . 10019 1 363 . 2 2 24 24 GLU CG C 13 34.245 0.400 . 1 . . . . 564 GLU CG . 10019 1 364 . 2 2 24 24 GLU N N 15 118.394 0.400 . 1 . . . . 564 GLU N . 10019 1 365 . 2 2 25 25 ARG H H 1 7.042 0.020 . 1 . . . . 565 ARG H . 10019 1 366 . 2 2 25 25 ARG HA H 1 4.326 0.020 . 1 . . . . 565 ARG HA . 10019 1 367 . 2 2 25 25 ARG HB2 H 1 1.979 0.020 . 2 . . . . 565 ARG HB2 . 10019 1 368 . 2 2 25 25 ARG HB3 H 1 1.819 0.020 . 2 . . . . 565 ARG HB3 . 10019 1 369 . 2 2 25 25 ARG HG2 H 1 1.752 0.020 . 1 . . . . 565 ARG HG2 . 10019 1 370 . 2 2 25 25 ARG HG3 H 1 1.752 0.020 . 1 . . . . 565 ARG HG3 . 10019 1 371 . 2 2 25 25 ARG HD2 H 1 3.195 0.020 . 2 . . . . 565 ARG HD2 . 10019 1 372 . 2 2 25 25 ARG HD3 H 1 3.114 0.020 . 2 . . . . 565 ARG HD3 . 10019 1 373 . 2 2 25 25 ARG CA C 13 54.357 0.400 . 1 . . . . 565 ARG CA . 10019 1 374 . 2 2 25 25 ARG CB C 13 30.893 0.400 . 1 . . . . 565 ARG CB . 10019 1 375 . 2 2 25 25 ARG CG C 13 24.896 0.400 . 1 . . . . 565 ARG CG . 10019 1 376 . 2 2 25 25 ARG CD C 13 40.387 0.400 . 1 . . . . 565 ARG CD . 10019 1 377 . 2 2 25 25 ARG N N 15 115.195 0.400 . 1 . . . . 565 ARG N . 10019 1 378 . 2 2 26 26 LEU H H 1 8.316 0.020 . 1 . . . . 566 LEU H . 10019 1 379 . 2 2 26 26 LEU HA H 1 3.953 0.020 . 1 . . . . 566 LEU HA . 10019 1 380 . 2 2 26 26 LEU HB2 H 1 1.615 0.020 . 2 . . . . 566 LEU HB2 . 10019 1 381 . 2 2 26 26 LEU HB3 H 1 1.310 0.020 . 2 . . . . 566 LEU HB3 . 10019 1 382 . 2 2 26 26 LEU HD11 H 1 0.688 0.020 . 2 . . . . 566 LEU HD1 . 10019 1 383 . 2 2 26 26 LEU HD12 H 1 0.688 0.020 . 2 . . . . 566 LEU HD1 . 10019 1 384 . 2 2 26 26 LEU HD13 H 1 0.688 0.020 . 2 . . . . 566 LEU HD1 . 10019 1 385 . 2 2 26 26 LEU HD21 H 1 0.722 0.020 . 2 . . . . 566 LEU HD2 . 10019 1 386 . 2 2 26 26 LEU HD22 H 1 0.722 0.020 . 2 . . . . 566 LEU HD2 . 10019 1 387 . 2 2 26 26 LEU HD23 H 1 0.722 0.020 . 2 . . . . 566 LEU HD2 . 10019 1 388 . 2 2 26 26 LEU CA C 13 55.154 0.400 . 1 . . . . 566 LEU CA . 10019 1 389 . 2 2 26 26 LEU CB C 13 41.901 0.400 . 1 . . . . 566 LEU CB . 10019 1 390 . 2 2 26 26 LEU CD1 C 13 24.260 0.400 . 1 . . . . 566 LEU CD1 . 10019 1 391 . 2 2 26 26 LEU CD2 C 13 22.037 0.400 . 1 . . . . 566 LEU CD2 . 10019 1 392 . 2 2 26 26 LEU N N 15 119.333 0.400 . 1 . . . . 566 LEU N . 10019 1 393 . 2 2 27 27 PHE H H 1 8.668 0.020 . 1 . . . . 567 PHE H . 10019 1 394 . 2 2 27 27 PHE HA H 1 4.256 0.020 . 1 . . . . 567 PHE HA . 10019 1 395 . 2 2 27 27 PHE HB2 H 1 2.407 0.020 . 2 . . . . 567 PHE HB2 . 10019 1 396 . 2 2 27 27 PHE HB3 H 1 1.835 0.020 . 2 . . . . 567 PHE HB3 . 10019 1 397 . 2 2 27 27 PHE HD1 H 1 7.071 0.020 . 1 . . . . 567 PHE HD1 . 10019 1 398 . 2 2 27 27 PHE HD2 H 1 7.071 0.020 . 1 . . . . 567 PHE HD2 . 10019 1 399 . 2 2 27 27 PHE CA C 13 61.481 0.400 . 1 . . . . 567 PHE CA . 10019 1 400 . 2 2 27 27 PHE CB C 13 34.629 0.400 . 1 . . . . 567 PHE CB . 10019 1 401 . 2 2 27 27 PHE N N 15 117.619 0.400 . 1 . . . . 567 PHE N . 10019 1 402 . 2 2 28 28 PRO HA H 1 4.208 0.020 . 1 . . . . 568 PRO HA . 10019 1 403 . 2 2 28 28 PRO HB2 H 1 2.399 0.020 . 2 . . . . 568 PRO HB2 . 10019 1 404 . 2 2 28 28 PRO HB3 H 1 1.820 0.020 . 2 . . . . 568 PRO HB3 . 10019 1 405 . 2 2 28 28 PRO HG2 H 1 2.151 0.020 . 1 . . . . 568 PRO HG2 . 10019 1 406 . 2 2 28 28 PRO HG3 H 1 2.151 0.020 . 1 . . . . 568 PRO HG3 . 10019 1 407 . 2 2 28 28 PRO HD2 H 1 3.843 0.020 . 2 . . . . 568 PRO HD2 . 10019 1 408 . 2 2 28 28 PRO HD3 H 1 3.770 0.020 . 2 . . . . 568 PRO HD3 . 10019 1 409 . 2 2 28 28 PRO CA C 13 63.568 0.400 . 1 . . . . 568 PRO CA . 10019 1 410 . 2 2 28 28 PRO CB C 13 28.696 0.400 . 1 . . . . 568 PRO CB . 10019 1 411 . 2 2 28 28 PRO CG C 13 25.990 0.400 . 1 . . . . 568 PRO CG . 10019 1 412 . 2 2 28 28 PRO CD C 13 47.951 0.400 . 1 . . . . 568 PRO CD . 10019 1 413 . 2 2 29 29 LEU H H 1 6.732 0.020 . 1 . . . . 569 LEU H . 10019 1 414 . 2 2 29 29 LEU HA H 1 4.040 0.020 . 1 . . . . 569 LEU HA . 10019 1 415 . 2 2 29 29 LEU HB2 H 1 2.001 0.020 . 2 . . . . 569 LEU HB2 . 10019 1 416 . 2 2 29 29 LEU HB3 H 1 1.319 0.020 . 2 . . . . 569 LEU HB3 . 10019 1 417 . 2 2 29 29 LEU HG H 1 1.840 0.020 . 1 . . . . 569 LEU HG . 10019 1 418 . 2 2 29 29 LEU HD11 H 1 0.910 0.020 . 2 . . . . 569 LEU HD1 . 10019 1 419 . 2 2 29 29 LEU HD12 H 1 0.910 0.020 . 2 . . . . 569 LEU HD1 . 10019 1 420 . 2 2 29 29 LEU HD13 H 1 0.910 0.020 . 2 . . . . 569 LEU HD1 . 10019 1 421 . 2 2 29 29 LEU HD21 H 1 0.825 0.020 . 2 . . . . 569 LEU HD2 . 10019 1 422 . 2 2 29 29 LEU HD22 H 1 0.825 0.020 . 2 . . . . 569 LEU HD2 . 10019 1 423 . 2 2 29 29 LEU HD23 H 1 0.825 0.020 . 2 . . . . 569 LEU HD2 . 10019 1 424 . 2 2 29 29 LEU CA C 13 54.668 0.400 . 1 . . . . 569 LEU CA . 10019 1 425 . 2 2 29 29 LEU CB C 13 39.475 0.400 . 1 . . . . 569 LEU CB . 10019 1 426 . 2 2 29 29 LEU CD1 C 13 24.060 0.400 . 1 . . . . 569 LEU CD1 . 10019 1 427 . 2 2 29 29 LEU CD2 C 13 19.624 0.400 . 1 . . . . 569 LEU CD2 . 10019 1 428 . 2 2 29 29 LEU N N 15 116.282 0.400 . 1 . . . . 569 LEU N . 10019 1 429 . 2 2 30 30 ILE H H 1 7.832 0.020 . 1 . . . . 570 ILE H . 10019 1 430 . 2 2 30 30 ILE HA H 1 3.644 0.020 . 1 . . . . 570 ILE HA . 10019 1 431 . 2 2 30 30 ILE HB H 1 1.623 0.020 . 1 . . . . 570 ILE HB . 10019 1 432 . 2 2 30 30 ILE HG12 H 1 1.798 0.020 . 2 . . . . 570 ILE HG12 . 10019 1 433 . 2 2 30 30 ILE HG13 H 1 1.629 0.020 . 2 . . . . 570 ILE HG13 . 10019 1 434 . 2 2 30 30 ILE HG21 H 1 0.851 0.020 . 1 . . . . 570 ILE HG2 . 10019 1 435 . 2 2 30 30 ILE HG22 H 1 0.851 0.020 . 1 . . . . 570 ILE HG2 . 10019 1 436 . 2 2 30 30 ILE HG23 H 1 0.851 0.020 . 1 . . . . 570 ILE HG2 . 10019 1 437 . 2 2 30 30 ILE HD11 H 1 0.776 0.020 . 1 . . . . 570 ILE HD1 . 10019 1 438 . 2 2 30 30 ILE HD12 H 1 0.776 0.020 . 1 . . . . 570 ILE HD1 . 10019 1 439 . 2 2 30 30 ILE HD13 H 1 0.776 0.020 . 1 . . . . 570 ILE HD1 . 10019 1 440 . 2 2 30 30 ILE CA C 13 62.426 0.400 . 1 . . . . 570 ILE CA . 10019 1 441 . 2 2 30 30 ILE CB C 13 35.283 0.400 . 1 . . . . 570 ILE CB . 10019 1 442 . 2 2 30 30 ILE CG1 C 13 26.664 0.400 . 1 . . . . 570 ILE CG1 . 10019 1 443 . 2 2 30 30 ILE CG2 C 13 15.967 0.400 . 1 . . . . 570 ILE CG2 . 10019 1 444 . 2 2 30 30 ILE CD1 C 13 12.435 0.400 . 1 . . . . 570 ILE CD1 . 10019 1 445 . 2 2 30 30 ILE N N 15 120.052 0.400 . 1 . . . . 570 ILE N . 10019 1 446 . 2 2 31 31 GLN H H 1 8.981 0.020 . 1 . . . . 571 GLN H . 10019 1 447 . 2 2 31 31 GLN HA H 1 3.473 0.020 . 1 . . . . 571 GLN HA . 10019 1 448 . 2 2 31 31 GLN HB2 H 1 1.756 0.020 . 2 . . . . 571 GLN HB2 . 10019 1 449 . 2 2 31 31 GLN HB3 H 1 1.142 0.020 . 2 . . . . 571 GLN HB3 . 10019 1 450 . 2 2 31 31 GLN HG2 H 1 2.074 0.020 . 2 . . . . 571 GLN HG2 . 10019 1 451 . 2 2 31 31 GLN HG3 H 1 2.019 0.020 . 2 . . . . 571 GLN HG3 . 10019 1 452 . 2 2 31 31 GLN CA C 13 56.613 0.400 . 1 . . . . 571 GLN CA . 10019 1 453 . 2 2 31 31 GLN CB C 13 26.297 0.400 . 1 . . . . 571 GLN CB . 10019 1 454 . 2 2 31 31 GLN CG C 13 31.833 0.400 . 1 . . . . 571 GLN CG . 10019 1 455 . 2 2 31 31 GLN N N 15 123.161 0.400 . 1 . . . . 571 GLN N . 10019 1 456 . 2 2 32 32 ALA H H 1 6.727 0.020 . 1 . . . . 572 ALA H . 10019 1 457 . 2 2 32 32 ALA HA H 1 4.027 0.020 . 1 . . . . 572 ALA HA . 10019 1 458 . 2 2 32 32 ALA HB1 H 1 1.386 0.020 . 1 . . . . 572 ALA HB . 10019 1 459 . 2 2 32 32 ALA HB2 H 1 1.386 0.020 . 1 . . . . 572 ALA HB . 10019 1 460 . 2 2 32 32 ALA HB3 H 1 1.386 0.020 . 1 . . . . 572 ALA HB . 10019 1 461 . 2 2 32 32 ALA CA C 13 51.478 0.400 . 1 . . . . 572 ALA CA . 10019 1 462 . 2 2 32 32 ALA CB C 13 16.096 0.400 . 1 . . . . 572 ALA CB . 10019 1 463 . 2 2 32 32 ALA N N 15 115.973 0.400 . 1 . . . . 572 ALA N . 10019 1 464 . 2 2 33 33 MET H H 1 7.146 0.020 . 1 . . . . 573 MET H . 10019 1 465 . 2 2 33 33 MET HA H 1 4.121 0.020 . 1 . . . . 573 MET HA . 10019 1 466 . 2 2 33 33 MET HB2 H 1 2.065 0.020 . 2 . . . . 573 MET HB2 . 10019 1 467 . 2 2 33 33 MET HB3 H 1 1.797 0.020 . 2 . . . . 573 MET HB3 . 10019 1 468 . 2 2 33 33 MET HG2 H 1 2.716 0.020 . 2 . . . . 573 MET HG2 . 10019 1 469 . 2 2 33 33 MET HG3 H 1 2.451 0.020 . 2 . . . . 573 MET HG3 . 10019 1 470 . 2 2 33 33 MET HE1 H 1 1.982 0.020 . 1 . . . . 573 MET HE . 10019 1 471 . 2 2 33 33 MET HE2 H 1 1.982 0.020 . 1 . . . . 573 MET HE . 10019 1 472 . 2 2 33 33 MET HE3 H 1 1.982 0.020 . 1 . . . . 573 MET HE . 10019 1 473 . 2 2 33 33 MET CA C 13 55.370 0.400 . 1 . . . . 573 MET CA . 10019 1 474 . 2 2 33 33 MET CB C 13 33.196 0.400 . 1 . . . . 573 MET CB . 10019 1 475 . 2 2 33 33 MET CG C 13 30.112 0.400 . 1 . . . . 573 MET CG . 10019 1 476 . 2 2 33 33 MET CE C 13 15.606 0.400 . 1 . . . . 573 MET CE . 10019 1 477 . 2 2 33 33 MET N N 15 114.844 0.400 . 1 . . . . 573 MET N . 10019 1 478 . 2 2 34 34 HIS H H 1 8.017 0.020 . 1 . . . . 574 HIS H . 10019 1 479 . 2 2 34 34 HIS HA H 1 4.828 0.020 . 1 . . . . 574 HIS HA . 10019 1 480 . 2 2 34 34 HIS HB2 H 1 2.862 0.020 . 2 . . . . 574 HIS HB2 . 10019 1 481 . 2 2 34 34 HIS HB3 H 1 2.438 0.020 . 2 . . . . 574 HIS HB3 . 10019 1 482 . 2 2 34 34 HIS CA C 13 51.756 0.400 . 1 . . . . 574 HIS CA . 10019 1 483 . 2 2 34 34 HIS CB C 13 29.843 0.400 . 1 . . . . 574 HIS CB . 10019 1 484 . 2 2 34 34 HIS N N 15 115.848 0.400 . 1 . . . . 574 HIS N . 10019 1 485 . 2 2 35 35 PRO HA H 1 4.359 0.020 . 1 . . . . 575 PRO HA . 10019 1 486 . 2 2 35 35 PRO HB2 H 1 2.440 0.020 . 2 . . . . 575 PRO HB2 . 10019 1 487 . 2 2 35 35 PRO HB3 H 1 2.029 0.020 . 2 . . . . 575 PRO HB3 . 10019 1 488 . 2 2 35 35 PRO HG2 H 1 2.137 0.020 . 1 . . . . 575 PRO HG2 . 10019 1 489 . 2 2 35 35 PRO HG3 H 1 2.137 0.020 . 1 . . . . 575 PRO HG3 . 10019 1 490 . 2 2 35 35 PRO HD2 H 1 3.709 0.020 . 2 . . . . 575 PRO HD2 . 10019 1 491 . 2 2 35 35 PRO HD3 H 1 3.313 0.020 . 2 . . . . 575 PRO HD3 . 10019 1 492 . 2 2 35 35 PRO CA C 13 63.895 0.400 . 1 . . . . 575 PRO CA . 10019 1 493 . 2 2 35 35 PRO CB C 13 29.594 0.400 . 1 . . . . 575 PRO CB . 10019 1 494 . 2 2 35 35 PRO CG C 13 24.633 0.400 . 1 . . . . 575 PRO CG . 10019 1 495 . 2 2 35 35 PRO CD C 13 47.694 0.400 . 1 . . . . 575 PRO CD . 10019 1 496 . 2 2 36 36 THR H H 1 8.236 0.020 . 1 . . . . 576 THR H . 10019 1 497 . 2 2 36 36 THR HA H 1 4.413 0.020 . 1 . . . . 576 THR HA . 10019 1 498 . 2 2 36 36 THR HB H 1 4.351 0.020 . 1 . . . . 576 THR HB . 10019 1 499 . 2 2 36 36 THR HG21 H 1 1.284 0.020 . 1 . . . . 576 THR HG2 . 10019 1 500 . 2 2 36 36 THR HG22 H 1 1.284 0.020 . 1 . . . . 576 THR HG2 . 10019 1 501 . 2 2 36 36 THR HG23 H 1 1.284 0.020 . 1 . . . . 576 THR HG2 . 10019 1 502 . 2 2 36 36 THR CA C 13 61.619 0.400 . 1 . . . . 576 THR CA . 10019 1 503 . 2 2 36 36 THR CB C 13 66.759 0.400 . 1 . . . . 576 THR CB . 10019 1 504 . 2 2 36 36 THR CG2 C 13 19.996 0.400 . 1 . . . . 576 THR CG2 . 10019 1 505 . 2 2 36 36 THR N N 15 108.015 0.400 . 1 . . . . 576 THR N . 10019 1 506 . 2 2 37 37 LEU H H 1 7.495 0.020 . 1 . . . . 577 LEU H . 10019 1 507 . 2 2 37 37 LEU HA H 1 4.776 0.020 . 1 . . . . 577 LEU HA . 10019 1 508 . 2 2 37 37 LEU HB2 H 1 1.578 0.020 . 2 . . . . 577 LEU HB2 . 10019 1 509 . 2 2 37 37 LEU HB3 H 1 1.325 0.020 . 2 . . . . 577 LEU HB3 . 10019 1 510 . 2 2 37 37 LEU HD11 H 1 0.835 0.020 . 2 . . . . 577 LEU HD1 . 10019 1 511 . 2 2 37 37 LEU HD12 H 1 0.835 0.020 . 2 . . . . 577 LEU HD1 . 10019 1 512 . 2 2 37 37 LEU HD13 H 1 0.835 0.020 . 2 . . . . 577 LEU HD1 . 10019 1 513 . 2 2 37 37 LEU HD21 H 1 0.715 0.020 . 2 . . . . 577 LEU HD2 . 10019 1 514 . 2 2 37 37 LEU HD22 H 1 0.715 0.020 . 2 . . . . 577 LEU HD2 . 10019 1 515 . 2 2 37 37 LEU HD23 H 1 0.715 0.020 . 2 . . . . 577 LEU HD2 . 10019 1 516 . 2 2 37 37 LEU CA C 13 51.797 0.400 . 1 . . . . 577 LEU CA . 10019 1 517 . 2 2 37 37 LEU CB C 13 41.290 0.400 . 1 . . . . 577 LEU CB . 10019 1 518 . 2 2 37 37 LEU CD1 C 13 20.515 0.400 . 1 . . . . 577 LEU CD1 . 10019 1 519 . 2 2 37 37 LEU CD2 C 13 23.338 0.400 . 1 . . . . 577 LEU CD2 . 10019 1 520 . 2 2 37 37 LEU N N 15 119.873 0.400 . 1 . . . . 577 LEU N . 10019 1 521 . 2 2 38 38 ALA H H 1 7.352 0.020 . 1 . . . . 578 ALA H . 10019 1 522 . 2 2 38 38 ALA HA H 1 3.779 0.020 . 1 . . . . 578 ALA HA . 10019 1 523 . 2 2 38 38 ALA HB1 H 1 1.112 0.020 . 1 . . . . 578 ALA HB . 10019 1 524 . 2 2 38 38 ALA HB2 H 1 1.112 0.020 . 1 . . . . 578 ALA HB . 10019 1 525 . 2 2 38 38 ALA HB3 H 1 1.112 0.020 . 1 . . . . 578 ALA HB . 10019 1 526 . 2 2 38 38 ALA CA C 13 54.232 0.400 . 1 . . . . 578 ALA CA . 10019 1 527 . 2 2 38 38 ALA CB C 13 16.150 0.400 . 1 . . . . 578 ALA CB . 10019 1 528 . 2 2 38 38 ALA N N 15 121.576 0.400 . 1 . . . . 578 ALA N . 10019 1 529 . 2 2 39 39 GLY HA2 H 1 4.310 0.020 . 1 . . . . 579 GLY HA2 . 10019 1 530 . 2 2 39 39 GLY HA3 H 1 4.310 0.020 . 1 . . . . 579 GLY HA3 . 10019 1 531 . 2 2 39 39 GLY CA C 13 45.890 0.400 . 1 . . . . 579 GLY CA . 10019 1 532 . 2 2 40 40 LYS H H 1 8.420 0.020 . 1 . . . . 580 LYS H . 10019 1 533 . 2 2 40 40 LYS HA H 1 4.012 0.020 . 1 . . . . 580 LYS HA . 10019 1 534 . 2 2 40 40 LYS HB2 H 1 1.979 0.020 . 2 . . . . 580 LYS HB2 . 10019 1 535 . 2 2 40 40 LYS HB3 H 1 1.930 0.020 . 2 . . . . 580 LYS HB3 . 10019 1 536 . 2 2 40 40 LYS HG2 H 1 1.579 0.020 . 2 . . . . 580 LYS HG2 . 10019 1 537 . 2 2 40 40 LYS HG3 H 1 1.354 0.020 . 2 . . . . 580 LYS HG3 . 10019 1 538 . 2 2 40 40 LYS HD2 H 1 1.743 0.020 . 2 . . . . 580 LYS HD2 . 10019 1 539 . 2 2 40 40 LYS HD3 H 1 1.665 0.020 . 2 . . . . 580 LYS HD3 . 10019 1 540 . 2 2 40 40 LYS HE2 H 1 2.935 0.020 . 2 . . . . 580 LYS HE2 . 10019 1 541 . 2 2 40 40 LYS HE3 H 1 2.836 0.020 . 2 . . . . 580 LYS HE3 . 10019 1 542 . 2 2 40 40 LYS CA C 13 56.396 0.400 . 1 . . . . 580 LYS CA . 10019 1 543 . 2 2 40 40 LYS CB C 13 29.510 0.400 . 1 . . . . 580 LYS CB . 10019 1 544 . 2 2 40 40 LYS CG C 13 22.525 0.400 . 1 . . . . 580 LYS CG . 10019 1 545 . 2 2 40 40 LYS CD C 13 25.835 0.400 . 1 . . . . 580 LYS CD . 10019 1 546 . 2 2 40 40 LYS CE C 13 40.370 0.400 . 1 . . . . 580 LYS CE . 10019 1 547 . 2 2 40 40 LYS N N 15 127.089 0.400 . 1 . . . . 580 LYS N . 10019 1 548 . 2 2 41 41 ILE H H 1 8.823 0.020 . 1 . . . . 581 ILE H . 10019 1 549 . 2 2 41 41 ILE HA H 1 3.683 0.020 . 1 . . . . 581 ILE HA . 10019 1 550 . 2 2 41 41 ILE HB H 1 1.633 0.020 . 1 . . . . 581 ILE HB . 10019 1 551 . 2 2 41 41 ILE HG21 H 1 0.890 0.020 . 1 . . . . 581 ILE HG2 . 10019 1 552 . 2 2 41 41 ILE HG22 H 1 0.890 0.020 . 1 . . . . 581 ILE HG2 . 10019 1 553 . 2 2 41 41 ILE HG23 H 1 0.890 0.020 . 1 . . . . 581 ILE HG2 . 10019 1 554 . 2 2 41 41 ILE HD11 H 1 0.537 0.020 . 1 . . . . 581 ILE HD1 . 10019 1 555 . 2 2 41 41 ILE HD12 H 1 0.537 0.020 . 1 . . . . 581 ILE HD1 . 10019 1 556 . 2 2 41 41 ILE HD13 H 1 0.537 0.020 . 1 . . . . 581 ILE HD1 . 10019 1 557 . 2 2 41 41 ILE CA C 13 63.022 0.400 . 1 . . . . 581 ILE CA . 10019 1 558 . 2 2 41 41 ILE CB C 13 36.268 0.400 . 1 . . . . 581 ILE CB . 10019 1 559 . 2 2 41 41 ILE CG1 C 13 26.309 0.400 . 1 . . . . 581 ILE CG1 . 10019 1 560 . 2 2 41 41 ILE CG2 C 13 16.574 0.400 . 1 . . . . 581 ILE CG2 . 10019 1 561 . 2 2 41 41 ILE CD1 C 13 12.795 0.400 . 1 . . . . 581 ILE CD1 . 10019 1 562 . 2 2 41 41 ILE N N 15 117.655 0.400 . 1 . . . . 581 ILE N . 10019 1 563 . 2 2 42 42 THR H H 1 8.520 0.020 . 1 . . . . 582 THR H . 10019 1 564 . 2 2 42 42 THR HA H 1 4.459 0.020 . 1 . . . . 582 THR HA . 10019 1 565 . 2 2 42 42 THR HB H 1 3.545 0.020 . 1 . . . . 582 THR HB . 10019 1 566 . 2 2 42 42 THR HG21 H 1 0.907 0.020 . 1 . . . . 582 THR HG2 . 10019 1 567 . 2 2 42 42 THR HG22 H 1 0.907 0.020 . 1 . . . . 582 THR HG2 . 10019 1 568 . 2 2 42 42 THR HG23 H 1 0.907 0.020 . 1 . . . . 582 THR HG2 . 10019 1 569 . 2 2 42 42 THR CA C 13 66.050 0.400 . 1 . . . . 582 THR CA . 10019 1 570 . 2 2 42 42 THR CB C 13 66.666 0.400 . 1 . . . . 582 THR CB . 10019 1 571 . 2 2 42 42 THR CG2 C 13 19.651 0.400 . 1 . . . . 582 THR CG2 . 10019 1 572 . 2 2 42 42 THR N N 15 115.195 0.400 . 1 . . . . 582 THR N . 10019 1 573 . 2 2 43 43 GLY H H 1 7.958 0.020 . 1 . . . . 583 GLY H . 10019 1 574 . 2 2 43 43 GLY HA2 H 1 3.771 0.020 . 2 . . . . 583 GLY HA2 . 10019 1 575 . 2 2 43 43 GLY HA3 H 1 4.395 0.020 . 2 . . . . 583 GLY HA3 . 10019 1 576 . 2 2 43 43 GLY CA C 13 45.343 0.400 . 1 . . . . 583 GLY CA . 10019 1 577 . 2 2 43 43 GLY N N 15 106.468 0.400 . 1 . . . . 583 GLY N . 10019 1 578 . 2 2 44 44 MET H H 1 8.066 0.020 . 1 . . . . 584 MET H . 10019 1 579 . 2 2 44 44 MET HA H 1 3.840 0.020 . 1 . . . . 584 MET HA . 10019 1 580 . 2 2 44 44 MET HB2 H 1 2.246 0.020 . 2 . . . . 584 MET HB2 . 10019 1 581 . 2 2 44 44 MET HB3 H 1 1.967 0.020 . 2 . . . . 584 MET HB3 . 10019 1 582 . 2 2 44 44 MET HG2 H 1 2.881 0.020 . 2 . . . . 584 MET HG2 . 10019 1 583 . 2 2 44 44 MET HG3 H 1 2.610 0.020 . 2 . . . . 584 MET HG3 . 10019 1 584 . 2 2 44 44 MET HE1 H 1 1.813 0.020 . 1 . . . . 584 MET HE . 10019 1 585 . 2 2 44 44 MET HE2 H 1 1.813 0.020 . 1 . . . . 584 MET HE . 10019 1 586 . 2 2 44 44 MET HE3 H 1 1.813 0.020 . 1 . . . . 584 MET HE . 10019 1 587 . 2 2 44 44 MET CA C 13 56.992 0.400 . 1 . . . . 584 MET CA . 10019 1 588 . 2 2 44 44 MET CB C 13 32.546 0.400 . 1 . . . . 584 MET CB . 10019 1 589 . 2 2 44 44 MET CG C 13 28.071 0.400 . 1 . . . . 584 MET CG . 10019 1 590 . 2 2 44 44 MET CE C 13 14.197 0.400 . 1 . . . . 584 MET CE . 10019 1 591 . 2 2 44 44 MET N N 15 119.094 0.400 . 1 . . . . 584 MET N . 10019 1 592 . 2 2 45 45 LEU H H 1 8.266 0.020 . 1 . . . . 585 LEU H . 10019 1 593 . 2 2 45 45 LEU HA H 1 3.914 0.020 . 1 . . . . 585 LEU HA . 10019 1 594 . 2 2 45 45 LEU HB2 H 1 1.723 0.020 . 2 . . . . 585 LEU HB2 . 10019 1 595 . 2 2 45 45 LEU HB3 H 1 1.307 0.020 . 2 . . . . 585 LEU HB3 . 10019 1 596 . 2 2 45 45 LEU HD11 H 1 0.718 0.020 . 2 . . . . 585 LEU HD1 . 10019 1 597 . 2 2 45 45 LEU HD12 H 1 0.718 0.020 . 2 . . . . 585 LEU HD1 . 10019 1 598 . 2 2 45 45 LEU HD13 H 1 0.718 0.020 . 2 . . . . 585 LEU HD1 . 10019 1 599 . 2 2 45 45 LEU HD21 H 1 0.709 0.020 . 2 . . . . 585 LEU HD2 . 10019 1 600 . 2 2 45 45 LEU HD22 H 1 0.709 0.020 . 2 . . . . 585 LEU HD2 . 10019 1 601 . 2 2 45 45 LEU HD23 H 1 0.709 0.020 . 2 . . . . 585 LEU HD2 . 10019 1 602 . 2 2 45 45 LEU CA C 13 55.365 0.400 . 1 . . . . 585 LEU CA . 10019 1 603 . 2 2 45 45 LEU CB C 13 38.259 0.400 . 1 . . . . 585 LEU CB . 10019 1 604 . 2 2 45 45 LEU CG C 13 25.812 0.400 . 1 . . . . 585 LEU CG . 10019 1 605 . 2 2 45 45 LEU CD1 C 13 23.211 0.400 . 1 . . . . 585 LEU CD1 . 10019 1 606 . 2 2 45 45 LEU CD2 C 13 22.016 0.400 . 1 . . . . 585 LEU CD2 . 10019 1 607 . 2 2 45 45 LEU N N 15 119.257 0.400 . 1 . . . . 585 LEU N . 10019 1 608 . 2 2 46 46 LEU H H 1 8.008 0.020 . 1 . . . . 586 LEU H . 10019 1 609 . 2 2 46 46 LEU HA H 1 4.036 0.020 . 1 . . . . 586 LEU HA . 10019 1 610 . 2 2 46 46 LEU HB2 H 1 1.851 0.020 . 2 . . . . 586 LEU HB2 . 10019 1 611 . 2 2 46 46 LEU HB3 H 1 1.537 0.020 . 2 . . . . 586 LEU HB3 . 10019 1 612 . 2 2 46 46 LEU HD11 H 1 0.673 0.020 . 2 . . . . 586 LEU HD1 . 10019 1 613 . 2 2 46 46 LEU HD12 H 1 0.673 0.020 . 2 . . . . 586 LEU HD1 . 10019 1 614 . 2 2 46 46 LEU HD13 H 1 0.673 0.020 . 2 . . . . 586 LEU HD1 . 10019 1 615 . 2 2 46 46 LEU HD21 H 1 0.670 0.020 . 2 . . . . 586 LEU HD2 . 10019 1 616 . 2 2 46 46 LEU HD22 H 1 0.670 0.020 . 2 . . . . 586 LEU HD2 . 10019 1 617 . 2 2 46 46 LEU HD23 H 1 0.670 0.020 . 2 . . . . 586 LEU HD2 . 10019 1 618 . 2 2 46 46 LEU CA C 13 54.406 0.400 . 1 . . . . 586 LEU CA . 10019 1 619 . 2 2 46 46 LEU CB C 13 39.788 0.400 . 1 . . . . 586 LEU CB . 10019 1 620 . 2 2 46 46 LEU CD1 C 13 23.747 0.400 . 1 . . . . 586 LEU CD1 . 10019 1 621 . 2 2 46 46 LEU CD2 C 13 21.303 0.400 . 1 . . . . 586 LEU CD2 . 10019 1 622 . 2 2 46 46 LEU N N 15 115.657 0.400 . 1 . . . . 586 LEU N . 10019 1 623 . 2 2 47 47 GLU H H 1 6.895 0.020 . 1 . . . . 587 GLU H . 10019 1 624 . 2 2 47 47 GLU HA H 1 4.162 0.020 . 1 . . . . 587 GLU HA . 10019 1 625 . 2 2 47 47 GLU HB2 H 1 2.202 0.020 . 2 . . . . 587 GLU HB2 . 10019 1 626 . 2 2 47 47 GLU HB3 H 1 1.959 0.020 . 2 . . . . 587 GLU HB3 . 10019 1 627 . 2 2 47 47 GLU CA C 13 55.679 0.400 . 1 . . . . 587 GLU CA . 10019 1 628 . 2 2 47 47 GLU CB C 13 27.782 0.400 . 1 . . . . 587 GLU CB . 10019 1 629 . 2 2 47 47 GLU N N 15 115.153 0.400 . 1 . . . . 587 GLU N . 10019 1 630 . 2 2 48 48 ILE H H 1 7.803 0.020 . 1 . . . . 588 ILE H . 10019 1 631 . 2 2 48 48 ILE HA H 1 3.989 0.020 . 1 . . . . 588 ILE HA . 10019 1 632 . 2 2 48 48 ILE HB H 1 2.172 0.020 . 1 . . . . 588 ILE HB . 10019 1 633 . 2 2 48 48 ILE HG12 H 1 1.572 0.020 . 2 . . . . 588 ILE HG12 . 10019 1 634 . 2 2 48 48 ILE HG13 H 1 1.427 0.020 . 2 . . . . 588 ILE HG13 . 10019 1 635 . 2 2 48 48 ILE HG21 H 1 0.992 0.020 . 1 . . . . 588 ILE HG2 . 10019 1 636 . 2 2 48 48 ILE HG22 H 1 0.992 0.020 . 1 . . . . 588 ILE HG2 . 10019 1 637 . 2 2 48 48 ILE HG23 H 1 0.992 0.020 . 1 . . . . 588 ILE HG2 . 10019 1 638 . 2 2 48 48 ILE HD11 H 1 0.793 0.020 . 1 . . . . 588 ILE HD1 . 10019 1 639 . 2 2 48 48 ILE HD12 H 1 0.793 0.020 . 1 . . . . 588 ILE HD1 . 10019 1 640 . 2 2 48 48 ILE HD13 H 1 0.793 0.020 . 1 . . . . 588 ILE HD1 . 10019 1 641 . 2 2 48 48 ILE CA C 13 59.296 0.400 . 1 . . . . 588 ILE CA . 10019 1 642 . 2 2 48 48 ILE CB C 13 34.776 0.400 . 1 . . . . 588 ILE CB . 10019 1 643 . 2 2 48 48 ILE CG1 C 13 24.324 0.400 . 1 . . . . 588 ILE CG1 . 10019 1 644 . 2 2 48 48 ILE CG2 C 13 14.832 0.400 . 1 . . . . 588 ILE CG2 . 10019 1 645 . 2 2 48 48 ILE CD1 C 13 12.080 0.400 . 1 . . . . 588 ILE CD1 . 10019 1 646 . 2 2 48 48 ILE N N 15 120.116 0.400 . 1 . . . . 588 ILE N . 10019 1 647 . 2 2 49 49 ASP H H 1 7.643 0.020 . 1 . . . . 589 ASP H . 10019 1 648 . 2 2 49 49 ASP HA H 1 4.233 0.020 . 1 . . . . 589 ASP HA . 10019 1 649 . 2 2 49 49 ASP HB2 H 1 2.647 0.020 . 2 . . . . 589 ASP HB2 . 10019 1 650 . 2 2 49 49 ASP HB3 H 1 2.639 0.020 . 2 . . . . 589 ASP HB3 . 10019 1 651 . 2 2 49 49 ASP CA C 13 53.216 0.400 . 1 . . . . 589 ASP CA . 10019 1 652 . 2 2 49 49 ASP CB C 13 40.929 0.400 . 1 . . . . 589 ASP CB . 10019 1 653 . 2 2 49 49 ASP N N 15 118.357 0.400 . 1 . . . . 589 ASP N . 10019 1 654 . 2 2 50 50 ASN H H 1 8.656 0.020 . 1 . . . . 590 ASN H . 10019 1 655 . 2 2 50 50 ASN HA H 1 4.240 0.020 . 1 . . . . 590 ASN HA . 10019 1 656 . 2 2 50 50 ASN HB2 H 1 2.858 0.020 . 2 . . . . 590 ASN HB2 . 10019 1 657 . 2 2 50 50 ASN HB3 H 1 2.473 0.020 . 2 . . . . 590 ASN HB3 . 10019 1 658 . 2 2 50 50 ASN HD21 H 1 7.282 0.020 . 2 . . . . 590 ASN HD21 . 10019 1 659 . 2 2 50 50 ASN HD22 H 1 6.425 0.020 . 2 . . . . 590 ASN HD22 . 10019 1 660 . 2 2 50 50 ASN CA C 13 53.769 0.400 . 1 . . . . 590 ASN CA . 10019 1 661 . 2 2 50 50 ASN CB C 13 35.058 0.400 . 1 . . . . 590 ASN CB . 10019 1 662 . 2 2 50 50 ASN N N 15 122.629 0.400 . 1 . . . . 590 ASN N . 10019 1 663 . 2 2 50 50 ASN ND2 N 15 108.068 0.400 . 1 . . . . 590 ASN ND2 . 10019 1 664 . 2 2 51 51 SER H H 1 8.641 0.020 . 1 . . . . 591 SER H . 10019 1 665 . 2 2 51 51 SER HA H 1 4.135 0.020 . 1 . . . . 591 SER HA . 10019 1 666 . 2 2 51 51 SER HB2 H 1 3.886 0.020 . 1 . . . . 591 SER HB2 . 10019 1 667 . 2 2 51 51 SER HB3 H 1 3.886 0.020 . 1 . . . . 591 SER HB3 . 10019 1 668 . 2 2 51 51 SER CA C 13 59.566 0.400 . 1 . . . . 591 SER CA . 10019 1 669 . 2 2 51 51 SER CB C 13 59.211 0.400 . 1 . . . . 591 SER CB . 10019 1 670 . 2 2 51 51 SER N N 15 114.567 0.400 . 1 . . . . 591 SER N . 10019 1 671 . 2 2 52 52 GLU H H 1 7.277 0.020 . 1 . . . . 592 GLU H . 10019 1 672 . 2 2 52 52 GLU HA H 1 4.232 0.020 . 1 . . . . 592 GLU HA . 10019 1 673 . 2 2 52 52 GLU HB2 H 1 2.136 0.020 . 2 . . . . 592 GLU HB2 . 10019 1 674 . 2 2 52 52 GLU HB3 H 1 2.065 0.020 . 2 . . . . 592 GLU HB3 . 10019 1 675 . 2 2 52 52 GLU HG2 H 1 2.313 0.020 . 2 . . . . 592 GLU HG2 . 10019 1 676 . 2 2 52 52 GLU HG3 H 1 2.200 0.020 . 2 . . . . 592 GLU HG3 . 10019 1 677 . 2 2 52 52 GLU CA C 13 56.399 0.400 . 1 . . . . 592 GLU CA . 10019 1 678 . 2 2 52 52 GLU CB C 13 27.058 0.400 . 1 . . . . 592 GLU CB . 10019 1 679 . 2 2 52 52 GLU CG C 13 34.135 0.400 . 1 . . . . 592 GLU CG . 10019 1 680 . 2 2 52 52 GLU N N 15 123.671 0.400 . 1 . . . . 592 GLU N . 10019 1 681 . 2 2 53 53 LEU H H 1 7.701 0.020 . 1 . . . . 593 LEU H . 10019 1 682 . 2 2 53 53 LEU HA H 1 4.136 0.020 . 1 . . . . 593 LEU HA . 10019 1 683 . 2 2 53 53 LEU HB2 H 1 2.069 0.020 . 2 . . . . 593 LEU HB2 . 10019 1 684 . 2 2 53 53 LEU HB3 H 1 1.120 0.020 . 2 . . . . 593 LEU HB3 . 10019 1 685 . 2 2 53 53 LEU HG H 1 1.582 0.020 . 1 . . . . 593 LEU HG . 10019 1 686 . 2 2 53 53 LEU HD11 H 1 0.931 0.020 . 2 . . . . 593 LEU HD1 . 10019 1 687 . 2 2 53 53 LEU HD12 H 1 0.931 0.020 . 2 . . . . 593 LEU HD1 . 10019 1 688 . 2 2 53 53 LEU HD13 H 1 0.931 0.020 . 2 . . . . 593 LEU HD1 . 10019 1 689 . 2 2 53 53 LEU HD21 H 1 0.779 0.020 . 2 . . . . 593 LEU HD2 . 10019 1 690 . 2 2 53 53 LEU HD22 H 1 0.779 0.020 . 2 . . . . 593 LEU HD2 . 10019 1 691 . 2 2 53 53 LEU HD23 H 1 0.779 0.020 . 2 . . . . 593 LEU HD2 . 10019 1 692 . 2 2 53 53 LEU CA C 13 55.871 0.400 . 1 . . . . 593 LEU CA . 10019 1 693 . 2 2 53 53 LEU CB C 13 40.597 0.400 . 1 . . . . 593 LEU CB . 10019 1 694 . 2 2 53 53 LEU CD1 C 13 24.511 0.400 . 1 . . . . 593 LEU CD1 . 10019 1 695 . 2 2 53 53 LEU CD2 C 13 20.083 0.400 . 1 . . . . 593 LEU CD2 . 10019 1 696 . 2 2 53 53 LEU N N 15 121.062 0.400 . 1 . . . . 593 LEU N . 10019 1 697 . 2 2 54 54 LEU H H 1 8.329 0.020 . 1 . . . . 594 LEU H . 10019 1 698 . 2 2 54 54 LEU HA H 1 3.878 0.020 . 1 . . . . 594 LEU HA . 10019 1 699 . 2 2 54 54 LEU HB2 H 1 1.712 0.020 . 2 . . . . 594 LEU HB2 . 10019 1 700 . 2 2 54 54 LEU HB3 H 1 1.522 0.020 . 2 . . . . 594 LEU HB3 . 10019 1 701 . 2 2 54 54 LEU HD11 H 1 0.763 0.020 . 2 . . . . 594 LEU HD1 . 10019 1 702 . 2 2 54 54 LEU HD12 H 1 0.763 0.020 . 2 . . . . 594 LEU HD1 . 10019 1 703 . 2 2 54 54 LEU HD13 H 1 0.763 0.020 . 2 . . . . 594 LEU HD1 . 10019 1 704 . 2 2 54 54 LEU HD21 H 1 0.699 0.020 . 2 . . . . 594 LEU HD2 . 10019 1 705 . 2 2 54 54 LEU HD22 H 1 0.699 0.020 . 2 . . . . 594 LEU HD2 . 10019 1 706 . 2 2 54 54 LEU HD23 H 1 0.699 0.020 . 2 . . . . 594 LEU HD2 . 10019 1 707 . 2 2 54 54 LEU CA C 13 52.936 0.400 . 1 . . . . 594 LEU CA . 10019 1 708 . 2 2 54 54 LEU CB C 13 39.423 0.400 . 1 . . . . 594 LEU CB . 10019 1 709 . 2 2 54 54 LEU CG C 13 24.180 0.400 . 1 . . . . 594 LEU CG . 10019 1 710 . 2 2 54 54 LEU CD1 C 13 22.835 0.400 . 1 . . . . 594 LEU CD1 . 10019 1 711 . 2 2 54 54 LEU CD2 C 13 21.720 0.400 . 1 . . . . 594 LEU CD2 . 10019 1 712 . 2 2 54 54 LEU N N 15 117.909 0.400 . 1 . . . . 594 LEU N . 10019 1 713 . 2 2 55 55 HIS H H 1 7.376 0.020 . 1 . . . . 595 HIS H . 10019 1 714 . 2 2 55 55 HIS HA H 1 4.447 0.020 . 1 . . . . 595 HIS HA . 10019 1 715 . 2 2 55 55 HIS HB2 H 1 3.413 0.020 . 2 . . . . 595 HIS HB2 . 10019 1 716 . 2 2 55 55 HIS HB3 H 1 3.247 0.020 . 2 . . . . 595 HIS HB3 . 10019 1 717 . 2 2 55 55 HIS CA C 13 56.518 0.400 . 1 . . . . 595 HIS CA . 10019 1 718 . 2 2 55 55 HIS CB C 13 26.318 0.400 . 1 . . . . 595 HIS CB . 10019 1 719 . 2 2 55 55 HIS N N 15 117.022 0.400 . 1 . . . . 595 HIS N . 10019 1 720 . 2 2 56 56 MET H H 1 8.079 0.020 . 1 . . . . 596 MET H . 10019 1 721 . 2 2 56 56 MET HA H 1 3.788 0.020 . 1 . . . . 596 MET HA . 10019 1 722 . 2 2 56 56 MET HB2 H 1 2.340 0.020 . 2 . . . . 596 MET HB2 . 10019 1 723 . 2 2 56 56 MET HB3 H 1 1.829 0.020 . 2 . . . . 596 MET HB3 . 10019 1 724 . 2 2 56 56 MET HE1 H 1 1.960 0.020 . 1 . . . . 596 MET HE . 10019 1 725 . 2 2 56 56 MET HE2 H 1 1.960 0.020 . 1 . . . . 596 MET HE . 10019 1 726 . 2 2 56 56 MET HE3 H 1 1.960 0.020 . 1 . . . . 596 MET HE . 10019 1 727 . 2 2 56 56 MET CA C 13 57.250 0.400 . 1 . . . . 596 MET CA . 10019 1 728 . 2 2 56 56 MET CB C 13 30.784 0.400 . 1 . . . . 596 MET CB . 10019 1 729 . 2 2 56 56 MET CG C 13 30.058 0.400 . 1 . . . . 596 MET CG . 10019 1 730 . 2 2 56 56 MET CE C 13 16.075 0.400 . 1 . . . . 596 MET CE . 10019 1 731 . 2 2 56 56 MET N N 15 118.914 0.400 . 1 . . . . 596 MET N . 10019 1 732 . 2 2 57 57 LEU H H 1 7.459 0.020 . 1 . . . . 597 LEU H . 10019 1 733 . 2 2 57 57 LEU HA H 1 3.892 0.020 . 1 . . . . 597 LEU HA . 10019 1 734 . 2 2 57 57 LEU HB2 H 1 1.938 0.020 . 2 . . . . 597 LEU HB2 . 10019 1 735 . 2 2 57 57 LEU HB3 H 1 1.481 0.020 . 2 . . . . 597 LEU HB3 . 10019 1 736 . 2 2 57 57 LEU HG H 1 1.726 0.020 . 1 . . . . 597 LEU HG . 10019 1 737 . 2 2 57 57 LEU HD11 H 1 0.856 0.020 . 2 . . . . 597 LEU HD1 . 10019 1 738 . 2 2 57 57 LEU HD12 H 1 0.856 0.020 . 2 . . . . 597 LEU HD1 . 10019 1 739 . 2 2 57 57 LEU HD13 H 1 0.856 0.020 . 2 . . . . 597 LEU HD1 . 10019 1 740 . 2 2 57 57 LEU HD21 H 1 0.724 0.020 . 2 . . . . 597 LEU HD2 . 10019 1 741 . 2 2 57 57 LEU HD22 H 1 0.724 0.020 . 2 . . . . 597 LEU HD2 . 10019 1 742 . 2 2 57 57 LEU HD23 H 1 0.724 0.020 . 2 . . . . 597 LEU HD2 . 10019 1 743 . 2 2 57 57 LEU CA C 13 54.581 0.400 . 1 . . . . 597 LEU CA . 10019 1 744 . 2 2 57 57 LEU CB C 13 39.440 0.400 . 1 . . . . 597 LEU CB . 10019 1 745 . 2 2 57 57 LEU CD1 C 13 23.974 0.400 . 1 . . . . 597 LEU CD1 . 10019 1 746 . 2 2 57 57 LEU CD2 C 13 21.484 0.400 . 1 . . . . 597 LEU CD2 . 10019 1 747 . 2 2 57 57 LEU N N 15 115.780 0.400 . 1 . . . . 597 LEU N . 10019 1 748 . 2 2 58 58 GLU H H 1 7.232 0.020 . 1 . . . . 598 GLU H . 10019 1 749 . 2 2 58 58 GLU HA H 1 4.379 0.020 . 1 . . . . 598 GLU HA . 10019 1 750 . 2 2 58 58 GLU HB2 H 1 2.061 0.020 . 1 . . . . 598 GLU HB2 . 10019 1 751 . 2 2 58 58 GLU HB3 H 1 2.061 0.020 . 1 . . . . 598 GLU HB3 . 10019 1 752 . 2 2 58 58 GLU HG2 H 1 2.310 0.020 . 1 . . . . 598 GLU HG2 . 10019 1 753 . 2 2 58 58 GLU HG3 H 1 2.310 0.020 . 1 . . . . 598 GLU HG3 . 10019 1 754 . 2 2 58 58 GLU CA C 13 53.981 0.400 . 1 . . . . 598 GLU CA . 10019 1 755 . 2 2 58 58 GLU CB C 13 28.342 0.400 . 1 . . . . 598 GLU CB . 10019 1 756 . 2 2 58 58 GLU CG C 13 33.700 0.400 . 1 . . . . 598 GLU CG . 10019 1 757 . 2 2 58 58 GLU N N 15 116.378 0.400 . 1 . . . . 598 GLU N . 10019 1 758 . 2 2 59 59 SER H H 1 7.288 0.020 . 1 . . . . 599 SER H . 10019 1 759 . 2 2 59 59 SER HA H 1 4.990 0.020 . 1 . . . . 599 SER HA . 10019 1 760 . 2 2 59 59 SER HB2 H 1 3.492 0.020 . 2 . . . . 599 SER HB2 . 10019 1 761 . 2 2 59 59 SER HB3 H 1 3.374 0.020 . 2 . . . . 599 SER HB3 . 10019 1 762 . 2 2 59 59 SER CA C 13 51.390 0.400 . 1 . . . . 599 SER CA . 10019 1 763 . 2 2 59 59 SER CB C 13 60.490 0.400 . 1 . . . . 599 SER CB . 10019 1 764 . 2 2 59 59 SER N N 15 113.809 0.400 . 1 . . . . 599 SER N . 10019 1 765 . 2 2 60 60 PRO HA H 1 4.308 0.020 . 1 . . . . 600 PRO HA . 10019 1 766 . 2 2 60 60 PRO HB2 H 1 2.383 0.020 . 2 . . . . 600 PRO HB2 . 10019 1 767 . 2 2 60 60 PRO HB3 H 1 1.915 0.020 . 2 . . . . 600 PRO HB3 . 10019 1 768 . 2 2 60 60 PRO HG2 H 1 2.090 0.020 . 2 . . . . 600 PRO HG2 . 10019 1 769 . 2 2 60 60 PRO HG3 H 1 1.967 0.020 . 2 . . . . 600 PRO HG3 . 10019 1 770 . 2 2 60 60 PRO HD2 H 1 3.897 0.020 . 2 . . . . 600 PRO HD2 . 10019 1 771 . 2 2 60 60 PRO HD3 H 1 3.659 0.020 . 2 . . . . 600 PRO HD3 . 10019 1 772 . 2 2 60 60 PRO CA C 13 63.111 0.400 . 1 . . . . 600 PRO CA . 10019 1 773 . 2 2 60 60 PRO CB C 13 29.921 0.400 . 1 . . . . 600 PRO CB . 10019 1 774 . 2 2 60 60 PRO CG C 13 24.833 0.400 . 1 . . . . 600 PRO CG . 10019 1 775 . 2 2 60 60 PRO CD C 13 48.498 0.400 . 1 . . . . 600 PRO CD . 10019 1 776 . 2 2 61 61 GLU H H 1 8.939 0.020 . 1 . . . . 601 GLU H . 10019 1 777 . 2 2 61 61 GLU HA H 1 4.059 0.020 . 1 . . . . 601 GLU HA . 10019 1 778 . 2 2 61 61 GLU HB2 H 1 1.961 0.020 . 1 . . . . 601 GLU HB2 . 10019 1 779 . 2 2 61 61 GLU HB3 H 1 1.961 0.020 . 1 . . . . 601 GLU HB3 . 10019 1 780 . 2 2 61 61 GLU CA C 13 57.432 0.400 . 1 . . . . 601 GLU CA . 10019 1 781 . 2 2 61 61 GLU CB C 13 26.447 0.400 . 1 . . . . 601 GLU CB . 10019 1 782 . 2 2 61 61 GLU N N 15 117.529 0.400 . 1 . . . . 601 GLU N . 10019 1 783 . 2 2 62 62 SER H H 1 7.772 0.020 . 1 . . . . 602 SER H . 10019 1 784 . 2 2 62 62 SER HA H 1 4.319 0.020 . 1 . . . . 602 SER HA . 10019 1 785 . 2 2 62 62 SER HB2 H 1 3.921 0.020 . 1 . . . . 602 SER HB2 . 10019 1 786 . 2 2 62 62 SER HB3 H 1 3.921 0.020 . 1 . . . . 602 SER HB3 . 10019 1 787 . 2 2 62 62 SER CA C 13 59.635 0.400 . 1 . . . . 602 SER CA . 10019 1 788 . 2 2 62 62 SER CB C 13 60.066 0.400 . 1 . . . . 602 SER CB . 10019 1 789 . 2 2 62 62 SER N N 15 117.407 0.400 . 1 . . . . 602 SER N . 10019 1 790 . 2 2 63 63 LEU H H 1 7.873 0.020 . 1 . . . . 603 LEU H . 10019 1 791 . 2 2 63 63 LEU HA H 1 4.124 0.020 . 1 . . . . 603 LEU HA . 10019 1 792 . 2 2 63 63 LEU HB2 H 1 1.895 0.020 . 2 . . . . 603 LEU HB2 . 10019 1 793 . 2 2 63 63 LEU HB3 H 1 1.728 0.020 . 2 . . . . 603 LEU HB3 . 10019 1 794 . 2 2 63 63 LEU HG H 1 1.317 0.020 . 1 . . . . 603 LEU HG . 10019 1 795 . 2 2 63 63 LEU HD11 H 1 0.720 0.020 . 2 . . . . 603 LEU HD1 . 10019 1 796 . 2 2 63 63 LEU HD12 H 1 0.720 0.020 . 2 . . . . 603 LEU HD1 . 10019 1 797 . 2 2 63 63 LEU HD13 H 1 0.720 0.020 . 2 . . . . 603 LEU HD1 . 10019 1 798 . 2 2 63 63 LEU HD21 H 1 0.782 0.020 . 2 . . . . 603 LEU HD2 . 10019 1 799 . 2 2 63 63 LEU HD22 H 1 0.782 0.020 . 2 . . . . 603 LEU HD2 . 10019 1 800 . 2 2 63 63 LEU HD23 H 1 0.782 0.020 . 2 . . . . 603 LEU HD2 . 10019 1 801 . 2 2 63 63 LEU CA C 13 55.996 0.400 . 1 . . . . 603 LEU CA . 10019 1 802 . 2 2 63 63 LEU CB C 13 38.257 0.400 . 1 . . . . 603 LEU CB . 10019 1 803 . 2 2 63 63 LEU CD1 C 13 22.055 0.400 . 1 . . . . 603 LEU CD1 . 10019 1 804 . 2 2 63 63 LEU CD2 C 13 24.816 0.400 . 1 . . . . 603 LEU CD2 . 10019 1 805 . 2 2 63 63 LEU N N 15 122.231 0.400 . 1 . . . . 603 LEU N . 10019 1 806 . 2 2 64 64 ARG H H 1 8.327 0.020 . 1 . . . . 604 ARG H . 10019 1 807 . 2 2 64 64 ARG HA H 1 3.792 0.020 . 1 . . . . 604 ARG HA . 10019 1 808 . 2 2 64 64 ARG HB2 H 1 1.907 0.020 . 1 . . . . 604 ARG HB2 . 10019 1 809 . 2 2 64 64 ARG HB3 H 1 1.907 0.020 . 1 . . . . 604 ARG HB3 . 10019 1 810 . 2 2 64 64 ARG CA C 13 57.349 0.400 . 1 . . . . 604 ARG CA . 10019 1 811 . 2 2 64 64 ARG CB C 13 27.212 0.400 . 1 . . . . 604 ARG CB . 10019 1 812 . 2 2 64 64 ARG CG C 13 24.678 0.400 . 1 . . . . 604 ARG CG . 10019 1 813 . 2 2 64 64 ARG CD C 13 40.986 0.400 . 1 . . . . 604 ARG CD . 10019 1 814 . 2 2 64 64 ARG N N 15 117.628 0.400 . 1 . . . . 604 ARG N . 10019 1 815 . 2 2 65 65 SER H H 1 7.709 0.020 . 1 . . . . 605 SER H . 10019 1 816 . 2 2 65 65 SER HA H 1 4.261 0.020 . 1 . . . . 605 SER HA . 10019 1 817 . 2 2 65 65 SER HB2 H 1 3.986 0.020 . 1 . . . . 605 SER HB2 . 10019 1 818 . 2 2 65 65 SER HB3 H 1 3.986 0.020 . 1 . . . . 605 SER HB3 . 10019 1 819 . 2 2 65 65 SER CA C 13 59.408 0.400 . 1 . . . . 605 SER CA . 10019 1 820 . 2 2 65 65 SER CB C 13 60.482 0.400 . 1 . . . . 605 SER CB . 10019 1 821 . 2 2 65 65 SER N N 15 111.637 0.400 . 1 . . . . 605 SER N . 10019 1 822 . 2 2 66 66 LYS H H 1 7.598 0.020 . 1 . . . . 606 LYS H . 10019 1 823 . 2 2 66 66 LYS HA H 1 4.214 0.020 . 1 . . . . 606 LYS HA . 10019 1 824 . 2 2 66 66 LYS HB2 H 1 1.981 0.020 . 2 . . . . 606 LYS HB2 . 10019 1 825 . 2 2 66 66 LYS HB3 H 1 1.809 0.020 . 2 . . . . 606 LYS HB3 . 10019 1 826 . 2 2 66 66 LYS HG2 H 1 1.669 0.020 . 2 . . . . 606 LYS HG2 . 10019 1 827 . 2 2 66 66 LYS HG3 H 1 1.505 0.020 . 2 . . . . 606 LYS HG3 . 10019 1 828 . 2 2 66 66 LYS HD2 H 1 1.366 0.020 . 1 . . . . 606 LYS HD2 . 10019 1 829 . 2 2 66 66 LYS HD3 H 1 1.366 0.020 . 1 . . . . 606 LYS HD3 . 10019 1 830 . 2 2 66 66 LYS HE2 H 1 2.833 0.020 . 2 . . . . 606 LYS HE2 . 10019 1 831 . 2 2 66 66 LYS HE3 H 1 2.703 0.020 . 2 . . . . 606 LYS HE3 . 10019 1 832 . 2 2 66 66 LYS CA C 13 54.991 0.400 . 1 . . . . 606 LYS CA . 10019 1 833 . 2 2 66 66 LYS CB C 13 29.427 0.400 . 1 . . . . 606 LYS CB . 10019 1 834 . 2 2 66 66 LYS CG C 13 22.500 0.400 . 1 . . . . 606 LYS CG . 10019 1 835 . 2 2 66 66 LYS CD C 13 25.154 0.400 . 1 . . . . 606 LYS CD . 10019 1 836 . 2 2 66 66 LYS CE C 13 39.424 0.400 . 1 . . . . 606 LYS CE . 10019 1 837 . 2 2 66 66 LYS N N 15 122.075 0.400 . 1 . . . . 606 LYS N . 10019 1 838 . 2 2 67 67 VAL H H 1 8.638 0.020 . 1 . . . . 607 VAL H . 10019 1 839 . 2 2 67 67 VAL HA H 1 3.438 0.020 . 1 . . . . 607 VAL HA . 10019 1 840 . 2 2 67 67 VAL HB H 1 2.243 0.020 . 1 . . . . 607 VAL HB . 10019 1 841 . 2 2 67 67 VAL HG11 H 1 1.098 0.020 . 2 . . . . 607 VAL HG1 . 10019 1 842 . 2 2 67 67 VAL HG12 H 1 1.098 0.020 . 2 . . . . 607 VAL HG1 . 10019 1 843 . 2 2 67 67 VAL HG13 H 1 1.098 0.020 . 2 . . . . 607 VAL HG1 . 10019 1 844 . 2 2 67 67 VAL HG21 H 1 0.980 0.020 . 2 . . . . 607 VAL HG2 . 10019 1 845 . 2 2 67 67 VAL HG22 H 1 0.980 0.020 . 2 . . . . 607 VAL HG2 . 10019 1 846 . 2 2 67 67 VAL HG23 H 1 0.980 0.020 . 2 . . . . 607 VAL HG2 . 10019 1 847 . 2 2 67 67 VAL CA C 13 65.113 0.400 . 1 . . . . 607 VAL CA . 10019 1 848 . 2 2 67 67 VAL CB C 13 28.959 0.400 . 1 . . . . 607 VAL CB . 10019 1 849 . 2 2 67 67 VAL CG1 C 13 20.210 0.400 . 1 . . . . 607 VAL CG1 . 10019 1 850 . 2 2 67 67 VAL CG2 C 13 22.542 0.400 . 1 . . . . 607 VAL CG2 . 10019 1 851 . 2 2 67 67 VAL N N 15 120.969 0.400 . 1 . . . . 607 VAL N . 10019 1 852 . 2 2 68 68 ASP H H 1 8.536 0.020 . 1 . . . . 608 ASP H . 10019 1 853 . 2 2 68 68 ASP HA H 1 4.325 0.020 . 1 . . . . 608 ASP HA . 10019 1 854 . 2 2 68 68 ASP HB2 H 1 2.853 0.020 . 2 . . . . 608 ASP HB2 . 10019 1 855 . 2 2 68 68 ASP HB3 H 1 2.586 0.020 . 2 . . . . 608 ASP HB3 . 10019 1 856 . 2 2 68 68 ASP CA C 13 55.453 0.400 . 1 . . . . 608 ASP CA . 10019 1 857 . 2 2 68 68 ASP CB C 13 37.410 0.400 . 1 . . . . 608 ASP CB . 10019 1 858 . 2 2 68 68 ASP N N 15 119.598 0.400 . 1 . . . . 608 ASP N . 10019 1 859 . 2 2 69 69 GLU H H 1 7.669 0.020 . 1 . . . . 609 GLU H . 10019 1 860 . 2 2 69 69 GLU HA H 1 4.030 0.020 . 1 . . . . 609 GLU HA . 10019 1 861 . 2 2 69 69 GLU HB2 H 1 2.208 0.020 . 1 . . . . 609 GLU HB2 . 10019 1 862 . 2 2 69 69 GLU HB3 H 1 2.208 0.020 . 1 . . . . 609 GLU HB3 . 10019 1 863 . 2 2 69 69 GLU CA C 13 57.252 0.400 . 1 . . . . 609 GLU CA . 10019 1 864 . 2 2 69 69 GLU CB C 13 27.199 0.400 . 1 . . . . 609 GLU CB . 10019 1 865 . 2 2 69 69 GLU CG C 13 33.942 0.400 . 1 . . . . 609 GLU CG . 10019 1 866 . 2 2 69 69 GLU N N 15 121.743 0.400 . 1 . . . . 609 GLU N . 10019 1 867 . 2 2 70 70 ALA H H 1 8.167 0.020 . 1 . . . . 610 ALA H . 10019 1 868 . 2 2 70 70 ALA HA H 1 3.808 0.020 . 1 . . . . 610 ALA HA . 10019 1 869 . 2 2 70 70 ALA HB1 H 1 1.506 0.020 . 1 . . . . 610 ALA HB . 10019 1 870 . 2 2 70 70 ALA HB2 H 1 1.506 0.020 . 1 . . . . 610 ALA HB . 10019 1 871 . 2 2 70 70 ALA HB3 H 1 1.506 0.020 . 1 . . . . 610 ALA HB . 10019 1 872 . 2 2 70 70 ALA CA C 13 53.351 0.400 . 1 . . . . 610 ALA CA . 10019 1 873 . 2 2 70 70 ALA CB C 13 16.477 0.400 . 1 . . . . 610 ALA CB . 10019 1 874 . 2 2 70 70 ALA N N 15 122.313 0.400 . 1 . . . . 610 ALA N . 10019 1 875 . 2 2 71 71 VAL H H 1 8.603 0.020 . 1 . . . . 611 VAL H . 10019 1 876 . 2 2 71 71 VAL HA H 1 3.267 0.020 . 1 . . . . 611 VAL HA . 10019 1 877 . 2 2 71 71 VAL HB H 1 1.975 0.020 . 1 . . . . 611 VAL HB . 10019 1 878 . 2 2 71 71 VAL HG11 H 1 0.688 0.020 . 2 . . . . 611 VAL HG1 . 10019 1 879 . 2 2 71 71 VAL HG12 H 1 0.688 0.020 . 2 . . . . 611 VAL HG1 . 10019 1 880 . 2 2 71 71 VAL HG13 H 1 0.688 0.020 . 2 . . . . 611 VAL HG1 . 10019 1 881 . 2 2 71 71 VAL HG21 H 1 0.489 0.020 . 2 . . . . 611 VAL HG2 . 10019 1 882 . 2 2 71 71 VAL HG22 H 1 0.489 0.020 . 2 . . . . 611 VAL HG2 . 10019 1 883 . 2 2 71 71 VAL HG23 H 1 0.489 0.020 . 2 . . . . 611 VAL HG2 . 10019 1 884 . 2 2 71 71 VAL CA C 13 64.961 0.400 . 1 . . . . 611 VAL CA . 10019 1 885 . 2 2 71 71 VAL CB C 13 29.198 0.400 . 1 . . . . 611 VAL CB . 10019 1 886 . 2 2 71 71 VAL CG1 C 13 18.774 0.400 . 1 . . . . 611 VAL CG1 . 10019 1 887 . 2 2 71 71 VAL CG2 C 13 21.241 0.400 . 1 . . . . 611 VAL CG2 . 10019 1 888 . 2 2 71 71 VAL N N 15 117.855 0.400 . 1 . . . . 611 VAL N . 10019 1 889 . 2 2 72 72 ALA H H 1 7.743 0.020 . 1 . . . . 612 ALA H . 10019 1 890 . 2 2 72 72 ALA HA H 1 4.119 0.020 . 1 . . . . 612 ALA HA . 10019 1 891 . 2 2 72 72 ALA HB1 H 1 1.506 0.020 . 1 . . . . 612 ALA HB . 10019 1 892 . 2 2 72 72 ALA HB2 H 1 1.506 0.020 . 1 . . . . 612 ALA HB . 10019 1 893 . 2 2 72 72 ALA HB3 H 1 1.506 0.020 . 1 . . . . 612 ALA HB . 10019 1 894 . 2 2 72 72 ALA CA C 13 53.051 0.400 . 1 . . . . 612 ALA CA . 10019 1 895 . 2 2 72 72 ALA CB C 13 15.529 0.400 . 1 . . . . 612 ALA CB . 10019 1 896 . 2 2 72 72 ALA N N 15 121.839 0.400 . 1 . . . . 612 ALA N . 10019 1 897 . 2 2 73 73 VAL H H 1 8.090 0.020 . 1 . . . . 613 VAL H . 10019 1 898 . 2 2 73 73 VAL HA H 1 3.793 0.020 . 1 . . . . 613 VAL HA . 10019 1 899 . 2 2 73 73 VAL HB H 1 2.147 0.020 . 1 . . . . 613 VAL HB . 10019 1 900 . 2 2 73 73 VAL HG11 H 1 0.853 0.020 . 2 . . . . 613 VAL HG1 . 10019 1 901 . 2 2 73 73 VAL HG12 H 1 0.853 0.020 . 2 . . . . 613 VAL HG1 . 10019 1 902 . 2 2 73 73 VAL HG13 H 1 0.853 0.020 . 2 . . . . 613 VAL HG1 . 10019 1 903 . 2 2 73 73 VAL HG21 H 1 1.091 0.020 . 2 . . . . 613 VAL HG2 . 10019 1 904 . 2 2 73 73 VAL HG22 H 1 1.091 0.020 . 2 . . . . 613 VAL HG2 . 10019 1 905 . 2 2 73 73 VAL HG23 H 1 1.091 0.020 . 2 . . . . 613 VAL HG2 . 10019 1 906 . 2 2 73 73 VAL CA C 13 63.897 0.400 . 1 . . . . 613 VAL CA . 10019 1 907 . 2 2 73 73 VAL CB C 13 29.342 0.400 . 1 . . . . 613 VAL CB . 10019 1 908 . 2 2 73 73 VAL CG1 C 13 19.365 0.400 . 1 . . . . 613 VAL CG1 . 10019 1 909 . 2 2 73 73 VAL CG2 C 13 20.934 0.400 . 1 . . . . 613 VAL CG2 . 10019 1 910 . 2 2 73 73 VAL N N 15 119.521 0.400 . 1 . . . . 613 VAL N . 10019 1 911 . 2 2 74 74 LEU H H 1 8.217 0.020 . 1 . . . . 614 LEU H . 10019 1 912 . 2 2 74 74 LEU HA H 1 4.012 0.020 . 1 . . . . 614 LEU HA . 10019 1 913 . 2 2 74 74 LEU HB2 H 1 1.841 0.020 . 2 . . . . 614 LEU HB2 . 10019 1 914 . 2 2 74 74 LEU HB3 H 1 1.518 0.020 . 2 . . . . 614 LEU HB3 . 10019 1 915 . 2 2 74 74 LEU HG H 1 1.635 0.020 . 1 . . . . 614 LEU HG . 10019 1 916 . 2 2 74 74 LEU HD11 H 1 0.821 0.020 . 2 . . . . 614 LEU HD1 . 10019 1 917 . 2 2 74 74 LEU HD12 H 1 0.821 0.020 . 2 . . . . 614 LEU HD1 . 10019 1 918 . 2 2 74 74 LEU HD13 H 1 0.821 0.020 . 2 . . . . 614 LEU HD1 . 10019 1 919 . 2 2 74 74 LEU HD21 H 1 0.892 0.020 . 2 . . . . 614 LEU HD2 . 10019 1 920 . 2 2 74 74 LEU HD22 H 1 0.892 0.020 . 2 . . . . 614 LEU HD2 . 10019 1 921 . 2 2 74 74 LEU HD23 H 1 0.892 0.020 . 2 . . . . 614 LEU HD2 . 10019 1 922 . 2 2 74 74 LEU CA C 13 55.955 0.400 . 1 . . . . 614 LEU CA . 10019 1 923 . 2 2 74 74 LEU CB C 13 39.508 0.400 . 1 . . . . 614 LEU CB . 10019 1 924 . 2 2 74 74 LEU CD1 C 13 23.300 0.400 . 1 . . . . 614 LEU CD1 . 10019 1 925 . 2 2 74 74 LEU CD2 C 13 21.419 0.400 . 1 . . . . 614 LEU CD2 . 10019 1 926 . 2 2 74 74 LEU N N 15 121.872 0.400 . 1 . . . . 614 LEU N . 10019 1 927 . 2 2 75 75 GLN H H 1 8.601 0.020 . 1 . . . . 615 GLN H . 10019 1 928 . 2 2 75 75 GLN HA H 1 4.045 0.020 . 1 . . . . 615 GLN HA . 10019 1 929 . 2 2 75 75 GLN HB2 H 1 2.144 0.020 . 2 . . . . 615 GLN HB2 . 10019 1 930 . 2 2 75 75 GLN HB3 H 1 2.021 0.020 . 2 . . . . 615 GLN HB3 . 10019 1 931 . 2 2 75 75 GLN CA C 13 56.133 0.400 . 1 . . . . 615 GLN CA . 10019 1 932 . 2 2 75 75 GLN CB C 13 25.769 0.400 . 1 . . . . 615 GLN CB . 10019 1 933 . 2 2 75 75 GLN CG C 13 32.045 0.400 . 1 . . . . 615 GLN CG . 10019 1 934 . 2 2 75 75 GLN N N 15 118.231 0.400 . 1 . . . . 615 GLN N . 10019 1 935 . 2 2 76 76 ALA H H 1 7.820 0.020 . 1 . . . . 616 ALA H . 10019 1 936 . 2 2 76 76 ALA HA H 1 4.181 0.020 . 1 . . . . 616 ALA HA . 10019 1 937 . 2 2 76 76 ALA HB1 H 1 1.457 0.020 . 1 . . . . 616 ALA HB . 10019 1 938 . 2 2 76 76 ALA HB2 H 1 1.457 0.020 . 1 . . . . 616 ALA HB . 10019 1 939 . 2 2 76 76 ALA HB3 H 1 1.457 0.020 . 1 . . . . 616 ALA HB . 10019 1 940 . 2 2 76 76 ALA CA C 13 51.867 0.400 . 1 . . . . 616 ALA CA . 10019 1 941 . 2 2 76 76 ALA CB C 13 16.038 0.400 . 1 . . . . 616 ALA CB . 10019 1 942 . 2 2 76 76 ALA N N 15 121.519 0.400 . 1 . . . . 616 ALA N . 10019 1 943 . 2 2 77 77 HIS H H 1 7.785 0.020 . 1 . . . . 617 HIS H . 10019 1 944 . 2 2 77 77 HIS HA H 1 4.423 0.020 . 1 . . . . 617 HIS HA . 10019 1 945 . 2 2 77 77 HIS HB2 H 1 3.306 0.020 . 2 . . . . 617 HIS HB2 . 10019 1 946 . 2 2 77 77 HIS HB3 H 1 3.071 0.020 . 2 . . . . 617 HIS HB3 . 10019 1 947 . 2 2 77 77 HIS CA C 13 55.950 0.400 . 1 . . . . 617 HIS CA . 10019 1 948 . 2 2 77 77 HIS CB C 13 28.608 0.400 . 1 . . . . 617 HIS CB . 10019 1 949 . 2 2 77 77 HIS N N 15 117.542 0.400 . 1 . . . . 617 HIS N . 10019 1 950 . 2 2 78 78 GLN H H 1 7.989 0.020 . 1 . . . . 618 GLN H . 10019 1 951 . 2 2 78 78 GLN HA H 1 4.090 0.020 . 1 . . . . 618 GLN HA . 10019 1 952 . 2 2 78 78 GLN HB2 H 1 2.066 0.020 . 1 . . . . 618 GLN HB2 . 10019 1 953 . 2 2 78 78 GLN HB3 H 1 2.066 0.020 . 1 . . . . 618 GLN HB3 . 10019 1 954 . 2 2 78 78 GLN HG2 H 1 2.418 0.020 . 1 . . . . 618 GLN HG2 . 10019 1 955 . 2 2 78 78 GLN HG3 H 1 2.418 0.020 . 1 . . . . 618 GLN HG3 . 10019 1 956 . 2 2 78 78 GLN CA C 13 54.592 0.400 . 1 . . . . 618 GLN CA . 10019 1 957 . 2 2 78 78 GLN CB C 13 26.557 0.400 . 1 . . . . 618 GLN CB . 10019 1 958 . 2 2 78 78 GLN CG C 13 31.679 0.400 . 1 . . . . 618 GLN CG . 10019 1 959 . 2 2 78 78 GLN N N 15 119.244 0.400 . 1 . . . . 618 GLN N . 10019 1 960 . 2 2 79 79 ALA H H 1 7.915 0.020 . 1 . . . . 619 ALA H . 10019 1 961 . 2 2 79 79 ALA HA H 1 4.210 0.020 . 1 . . . . 619 ALA HA . 10019 1 962 . 2 2 79 79 ALA HB1 H 1 1.396 0.020 . 1 . . . . 619 ALA HB . 10019 1 963 . 2 2 79 79 ALA HB2 H 1 1.396 0.020 . 1 . . . . 619 ALA HB . 10019 1 964 . 2 2 79 79 ALA HB3 H 1 1.396 0.020 . 1 . . . . 619 ALA HB . 10019 1 965 . 2 2 79 79 ALA CA C 13 50.691 0.400 . 1 . . . . 619 ALA CA . 10019 1 966 . 2 2 79 79 ALA CB C 13 16.499 0.400 . 1 . . . . 619 ALA CB . 10019 1 967 . 2 2 79 79 ALA N N 15 122.812 0.400 . 1 . . . . 619 ALA N . 10019 1 968 . 2 2 80 80 LYS H H 1 7.853 0.020 . 1 . . . . 620 LYS H . 10019 1 969 . 2 2 80 80 LYS HA H 1 4.208 0.020 . 1 . . . . 620 LYS HA . 10019 1 970 . 2 2 80 80 LYS HB2 H 1 1.814 0.020 . 2 . . . . 620 LYS HB2 . 10019 1 971 . 2 2 80 80 LYS HB3 H 1 1.766 0.020 . 2 . . . . 620 LYS HB3 . 10019 1 972 . 2 2 80 80 LYS HG2 H 1 1.479 0.020 . 2 . . . . 620 LYS HG2 . 10019 1 973 . 2 2 80 80 LYS HG3 H 1 1.417 0.020 . 2 . . . . 620 LYS HG3 . 10019 1 974 . 2 2 80 80 LYS HD2 H 1 1.664 0.020 . 1 . . . . 620 LYS HD2 . 10019 1 975 . 2 2 80 80 LYS HD3 H 1 1.664 0.020 . 1 . . . . 620 LYS HD3 . 10019 1 976 . 2 2 80 80 LYS HE2 H 1 2.960 0.020 . 2 . . . . 620 LYS HE2 . 10019 1 977 . 2 2 80 80 LYS HE3 H 1 2.831 0.020 . 2 . . . . 620 LYS HE3 . 10019 1 978 . 2 2 80 80 LYS CA C 13 54.485 0.400 . 1 . . . . 620 LYS CA . 10019 1 979 . 2 2 80 80 LYS CB C 13 30.567 0.400 . 1 . . . . 620 LYS CB . 10019 1 980 . 2 2 80 80 LYS CG C 13 22.427 0.400 . 1 . . . . 620 LYS CG . 10019 1 981 . 2 2 80 80 LYS CD C 13 27.012 0.400 . 1 . . . . 620 LYS CD . 10019 1 982 . 2 2 80 80 LYS CE C 13 39.780 0.400 . 1 . . . . 620 LYS CE . 10019 1 983 . 2 2 80 80 LYS N N 15 119.448 0.400 . 1 . . . . 620 LYS N . 10019 1 984 . 2 2 81 81 GLU H H 1 8.127 0.020 . 1 . . . . 621 GLU H . 10019 1 985 . 2 2 81 81 GLU HA H 1 4.180 0.020 . 1 . . . . 621 GLU HA . 10019 1 986 . 2 2 81 81 GLU HB2 H 1 2.002 0.020 . 2 . . . . 621 GLU HB2 . 10019 1 987 . 2 2 81 81 GLU HB3 H 1 1.864 0.020 . 2 . . . . 621 GLU HB3 . 10019 1 988 . 2 2 81 81 GLU HG3 H 1 2.170 0.020 . 2 . . . . 621 GLU HG3 . 10019 1 989 . 2 2 81 81 GLU CA C 13 54.397 0.400 . 1 . . . . 621 GLU CA . 10019 1 990 . 2 2 81 81 GLU CB C 13 27.760 0.400 . 1 . . . . 621 GLU CB . 10019 1 991 . 2 2 81 81 GLU CG C 13 34.127 0.400 . 1 . . . . 621 GLU CG . 10019 1 992 . 2 2 81 81 GLU N N 15 120.921 0.400 . 1 . . . . 621 GLU N . 10019 1 993 . 2 2 82 82 ALA H H 1 8.036 0.020 . 1 . . . . 622 ALA H . 10019 1 994 . 2 2 82 82 ALA HA H 1 4.278 0.020 . 1 . . . . 622 ALA HA . 10019 1 995 . 2 2 82 82 ALA HB1 H 1 1.349 0.020 . 1 . . . . 622 ALA HB . 10019 1 996 . 2 2 82 82 ALA HB2 H 1 1.349 0.020 . 1 . . . . 622 ALA HB . 10019 1 997 . 2 2 82 82 ALA HB3 H 1 1.349 0.020 . 1 . . . . 622 ALA HB . 10019 1 998 . 2 2 82 82 ALA CA C 13 50.051 0.400 . 1 . . . . 622 ALA CA . 10019 1 999 . 2 2 82 82 ALA CB C 13 17.011 0.400 . 1 . . . . 622 ALA CB . 10019 1 1000 . 2 2 82 82 ALA N N 15 124.844 0.400 . 1 . . . . 622 ALA N . 10019 1 1001 . 2 2 83 83 ALA H H 1 7.754 0.020 . 1 . . . . 623 ALA H . 10019 1 1002 . 2 2 83 83 ALA HA H 1 4.069 0.020 . 1 . . . . 623 ALA HA . 10019 1 1003 . 2 2 83 83 ALA HB1 H 1 1.303 0.020 . 1 . . . . 623 ALA HB . 10019 1 1004 . 2 2 83 83 ALA HB2 H 1 1.303 0.020 . 1 . . . . 623 ALA HB . 10019 1 1005 . 2 2 83 83 ALA HB3 H 1 1.303 0.020 . 1 . . . . 623 ALA HB . 10019 1 1006 . 2 2 83 83 ALA CA C 13 51.426 0.400 . 1 . . . . 623 ALA CA . 10019 1 1007 . 2 2 83 83 ALA CB C 13 17.862 0.400 . 1 . . . . 623 ALA CB . 10019 1 1008 . 2 2 83 83 ALA N N 15 129.152 0.400 . 1 . . . . 623 ALA N . 10019 1 stop_ save_