data_51126 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51126 _Entry.Title ; Resonance assignment of the Shank1 PDZ domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-05 _Entry.Accession_date 2021-10-05 _Entry.Last_release_date 2021-10-05 _Entry.Original_release_date 2021-10-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Resonance assignment of the Shank1 PDZ domain, corresponds to residues G654 to K768 of UniProt entry Q9WV48 plus a 4-residue N-terminal tag. ; _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.ORCID _Entry_author.Entry_ID 1 Anna Santa . . . . 51126 2 Andras Czajlik . . . . 51126 3 Balint Peterfia . . . . 51126 4 Gyula Batta . . . . 51126 5 Zoltan Gaspari . . . . 51126 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51126 heteronucl_T1_relaxation 1 51126 heteronucl_T2_relaxation 1 51126 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 51126 '15N chemical shifts' 108 51126 '1H chemical shifts' 656 51126 'T1 relaxation values' 93 51126 'T2 relaxation values' 93 51126 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 3 . . 2022-05-26 2021-10-05 update BMRB 'update entry citation' 51126 2 . . 2022-01-06 2021-10-05 update author 'update T1 and T2 datasets' 51126 1 . . 2021-10-14 2021-10-05 original author 'original release' 51126 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP Q9WV48 'Full-length rat Shank1 protein' 51126 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51126 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35083656 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignment of the Shank1 PDZ domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 121 _Citation.Page_last 127 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anna Santa . . . . 51126 1 2 Andras Czajlik . . . . 51126 1 3 Gyula Batta . . . . 51126 1 4 Balint Peterfia . . . . 51126 1 5 Zoltan Gaspari . . . . 51126 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Shank1, PDZ domain, helical propensity, monomeric' 51126 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51126 _Assembly.ID 1 _Assembly.Name 'PDZ domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Shank1 PDZ' 1 $entity_1 . . yes native no no . . . 51126 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1q3o . . X-ray 1.8 'X-ray structure of rat Shank1 PDZ' 'The X-ray structure contains a PDZ dimer. Our construct is monomeric.' 51126 1 yes PDB 7a9b . . X-ray 2 'Chimeric X-ray structure of rat Shank1 PDZ with human ARAP3 peptide' ; Presence of a short helical segment in the beta2-beta3 loop in the X-ray structure is largely consistent with our chemical shift analysis ; 51126 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51126 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; GSHMGSDYIIKEKTVLLQKK DSEGFGFVLRGAKAQTPIEE FTPTPAFPALQYLESVDEGG VAWRAGLRMGDFLIEVNGQN VVKVGHRQVVNMIRQGGNTL MVKVVMVTRHPDMDEAVHK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First residue of the construct is Gly 650.' _Entity.Polymer_author_seq_details ; The first four residues are not part of the native sequence. The first residue in the native sequence is Gly 654. ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Shank1 PDZ domain with 4-residue N-terminal expression tag' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first four residues (GHSM) are not part of the native sequence' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes SP Q9WV48 . Shank1 . . . . . . . . . . . . . . 51126 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Shank1 is a postsynaptic scaffold protein. The PDZ domain binds the C-terminus of GKAP.' 51126 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 1 650 GLY . 51126 1 2 651 SER . 51126 1 3 652 HIS . 51126 1 4 653 MET . 51126 1 5 654 GLY . 51126 1 6 655 SER . 51126 1 7 656 ASP . 51126 1 8 657 TYR . 51126 1 9 658 ILE . 51126 1 10 659 ILE . 51126 1 11 660 LYS . 51126 1 12 661 GLU . 51126 1 13 662 LYS . 51126 1 14 663 THR . 51126 1 15 664 VAL . 51126 1 16 665 LEU . 51126 1 17 666 LEU . 51126 1 18 667 GLN . 51126 1 19 668 LYS . 51126 1 20 669 LYS . 51126 1 21 670 ASP . 51126 1 22 671 SER . 51126 1 23 672 GLU . 51126 1 24 673 GLY . 51126 1 25 674 PHE . 51126 1 26 675 GLY . 51126 1 27 676 PHE . 51126 1 28 677 VAL . 51126 1 29 678 LEU . 51126 1 30 679 ARG . 51126 1 31 680 GLY . 51126 1 32 681 ALA . 51126 1 33 682 LYS . 51126 1 34 683 ALA . 51126 1 35 684 GLN . 51126 1 36 685 THR . 51126 1 37 686 PRO . 51126 1 38 687 ILE . 51126 1 39 688 GLU . 51126 1 40 689 GLU . 51126 1 41 690 PHE . 51126 1 42 691 THR . 51126 1 43 692 PRO . 51126 1 44 693 THR . 51126 1 45 694 PRO . 51126 1 46 695 ALA . 51126 1 47 696 PHE . 51126 1 48 697 PRO . 51126 1 49 698 ALA . 51126 1 50 699 LEU . 51126 1 51 700 GLN . 51126 1 52 701 TYR . 51126 1 53 702 LEU . 51126 1 54 703 GLU . 51126 1 55 704 SER . 51126 1 56 705 VAL . 51126 1 57 706 ASP . 51126 1 58 707 GLU . 51126 1 59 708 GLY . 51126 1 60 709 GLY . 51126 1 61 710 VAL . 51126 1 62 711 ALA . 51126 1 63 712 TRP . 51126 1 64 713 ARG . 51126 1 65 714 ALA . 51126 1 66 715 GLY . 51126 1 67 716 LEU . 51126 1 68 717 ARG . 51126 1 69 718 MET . 51126 1 70 719 GLY . 51126 1 71 720 ASP . 51126 1 72 721 PHE . 51126 1 73 722 LEU . 51126 1 74 723 ILE . 51126 1 75 724 GLU . 51126 1 76 725 VAL . 51126 1 77 726 ASN . 51126 1 78 727 GLY . 51126 1 79 728 GLN . 51126 1 80 729 ASN . 51126 1 81 730 VAL . 51126 1 82 731 VAL . 51126 1 83 732 LYS . 51126 1 84 733 VAL . 51126 1 85 734 GLY . 51126 1 86 735 HIS . 51126 1 87 736 ARG . 51126 1 88 737 GLN . 51126 1 89 738 VAL . 51126 1 90 739 VAL . 51126 1 91 740 ASN . 51126 1 92 741 MET . 51126 1 93 742 ILE . 51126 1 94 743 ARG . 51126 1 95 744 GLN . 51126 1 96 745 GLY . 51126 1 97 746 GLY . 51126 1 98 747 ASN . 51126 1 99 748 THR . 51126 1 100 749 LEU . 51126 1 101 750 MET . 51126 1 102 751 VAL . 51126 1 103 752 LYS . 51126 1 104 753 VAL . 51126 1 105 754 VAL . 51126 1 106 755 MET . 51126 1 107 756 VAL . 51126 1 108 757 THR . 51126 1 109 758 ARG . 51126 1 110 759 HIS . 51126 1 111 760 PRO . 51126 1 112 761 ASP . 51126 1 113 762 MET . 51126 1 114 763 ASP . 51126 1 115 764 GLU . 51126 1 116 765 ALA . 51126 1 117 766 VAL . 51126 1 118 767 HIS . 51126 1 119 768 LYS . 51126 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51126 1 . SER 2 2 51126 1 . HIS 3 3 51126 1 . MET 4 4 51126 1 . GLY 5 5 51126 1 . SER 6 6 51126 1 . ASP 7 7 51126 1 . TYR 8 8 51126 1 . ILE 9 9 51126 1 . ILE 10 10 51126 1 . LYS 11 11 51126 1 . GLU 12 12 51126 1 . LYS 13 13 51126 1 . THR 14 14 51126 1 . VAL 15 15 51126 1 . LEU 16 16 51126 1 . LEU 17 17 51126 1 . GLN 18 18 51126 1 . LYS 19 19 51126 1 . LYS 20 20 51126 1 . ASP 21 21 51126 1 . SER 22 22 51126 1 . GLU 23 23 51126 1 . GLY 24 24 51126 1 . PHE 25 25 51126 1 . GLY 26 26 51126 1 . PHE 27 27 51126 1 . VAL 28 28 51126 1 . LEU 29 29 51126 1 . ARG 30 30 51126 1 . GLY 31 31 51126 1 . ALA 32 32 51126 1 . LYS 33 33 51126 1 . ALA 34 34 51126 1 . GLN 35 35 51126 1 . THR 36 36 51126 1 . PRO 37 37 51126 1 . ILE 38 38 51126 1 . GLU 39 39 51126 1 . GLU 40 40 51126 1 . PHE 41 41 51126 1 . THR 42 42 51126 1 . PRO 43 43 51126 1 . THR 44 44 51126 1 . PRO 45 45 51126 1 . ALA 46 46 51126 1 . PHE 47 47 51126 1 . PRO 48 48 51126 1 . ALA 49 49 51126 1 . LEU 50 50 51126 1 . GLN 51 51 51126 1 . TYR 52 52 51126 1 . LEU 53 53 51126 1 . GLU 54 54 51126 1 . SER 55 55 51126 1 . VAL 56 56 51126 1 . ASP 57 57 51126 1 . GLU 58 58 51126 1 . GLY 59 59 51126 1 . GLY 60 60 51126 1 . VAL 61 61 51126 1 . ALA 62 62 51126 1 . TRP 63 63 51126 1 . ARG 64 64 51126 1 . ALA 65 65 51126 1 . GLY 66 66 51126 1 . LEU 67 67 51126 1 . ARG 68 68 51126 1 . MET 69 69 51126 1 . GLY 70 70 51126 1 . ASP 71 71 51126 1 . PHE 72 72 51126 1 . LEU 73 73 51126 1 . ILE 74 74 51126 1 . GLU 75 75 51126 1 . VAL 76 76 51126 1 . ASN 77 77 51126 1 . GLY 78 78 51126 1 . GLN 79 79 51126 1 . ASN 80 80 51126 1 . VAL 81 81 51126 1 . VAL 82 82 51126 1 . LYS 83 83 51126 1 . VAL 84 84 51126 1 . GLY 85 85 51126 1 . HIS 86 86 51126 1 . ARG 87 87 51126 1 . GLN 88 88 51126 1 . VAL 89 89 51126 1 . VAL 90 90 51126 1 . ASN 91 91 51126 1 . MET 92 92 51126 1 . ILE 93 93 51126 1 . ARG 94 94 51126 1 . GLN 95 95 51126 1 . GLY 96 96 51126 1 . GLY 97 97 51126 1 . ASN 98 98 51126 1 . THR 99 99 51126 1 . LEU 100 100 51126 1 . MET 101 101 51126 1 . VAL 102 102 51126 1 . LYS 103 103 51126 1 . VAL 104 104 51126 1 . VAL 105 105 51126 1 . MET 106 106 51126 1 . VAL 107 107 51126 1 . THR 108 108 51126 1 . ARG 109 109 51126 1 . HIS 110 110 51126 1 . PRO 111 111 51126 1 . ASP 112 112 51126 1 . MET 113 113 51126 1 . ASP 114 114 51126 1 . GLU 115 115 51126 1 . ALA 116 116 51126 1 . VAL 117 117 51126 1 . HIS 118 118 51126 1 . LYS 119 119 51126 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51126 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 51126 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51126 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'modified pET-15b' . . 'plasmid contains a TEV cleavage site' 51126 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51126 _Sample.ID 1 _Sample.Name 'Shank1 PDZ sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Shank1 PDZ domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM 5 . . . 51126 1 2 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 51126 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 51126 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 51126 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51126 _Sample.ID 2 _Sample.Name 'Shank1 PDZ sample 2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Shank1 PDZ domain' '[U-100% 15N]' . . 1 $entity_1 . . 85 . . uM 5 . . . 51126 2 2 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 51126 2 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 51126 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 51126 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51126 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Conditions 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' 0.02 . M 51126 1 pH 7.4 . pH 51126 1 pressure 1 . atm 51126 1 temperature 298 . K 51126 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51126 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51126 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51126 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51126 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51126 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51126 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51126 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51126 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51126 _Software.ID 5 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51126 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51126 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 700.13 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51126 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 7 '3D HN(CO)CACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 8 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . aliphatic 51126 1 9 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 10 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 11 '2D HBCBCGCDHD' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 12 '2D HBCBCGCDCEHE' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 13 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 14 'T1/R1 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 15 'T2/R2 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51126 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51126 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'reference set 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.00 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 51126 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 51126 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.10132912 'separate tube (no insert) similar to the experimental sample tube' . . . . 51126 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51126 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shifts 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51126 1 2 '3D HNCO' . . . 51126 1 3 '3D HN(CA)CO' . . . 51126 1 4 '3D HNCA' . . . 51126 1 5 '3D HN(CO)CA' . . . 51126 1 6 '3D HNCACB' . . . 51126 1 7 '3D HN(CO)CACB' . . . 51126 1 8 '3D HCCH-TOCSY' . . . 51126 1 9 '3D 1H-15N TOCSY' . . . 51126 1 10 '3D 1H-15N NOESY' . . . 51126 1 11 '2D HBCBCGCDHD' . . . 51126 1 12 '2D HBCBCGCDCEHE' . . . 51126 1 13 '2D 1H-1H NOESY' . . . 51126 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51126 1 3 $software_3 . . 51126 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.789 0.020 . 9 . . . . . 650 GLY HA2 . 51126 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.789 0.020 . 9 . . . . . 650 GLY HA3 . 51126 1 3 . 1 . 1 1 1 GLY CA C 13 43.919 0.300 . 9 . . . . . 650 GLY CA . 51126 1 4 . 1 . 1 3 3 HIS HA H 1 4.630 0.020 . 1 . . . . . 652 HIS HA . 51126 1 5 . 1 . 1 3 3 HIS HB2 H 1 3.057 0.020 . 2 . . . . . 652 HIS HB2 . 51126 1 6 . 1 . 1 3 3 HIS HB3 H 1 3.093 0.020 . 2 . . . . . 652 HIS HB3 . 51126 1 7 . 1 . 1 3 3 HIS CA C 13 56.505 0.300 . 1 . . . . . 652 HIS CA . 51126 1 8 . 1 . 1 3 3 HIS CB C 13 30.780 0.300 . 1 . . . . . 652 HIS CB . 51126 1 9 . 1 . 1 5 5 GLY HA2 H 1 3.983 0.020 . 5 . . . . . 654 GLY HA2 . 51126 1 10 . 1 . 1 5 5 GLY HA3 H 1 3.955 0.020 . 5 . . . . . 654 GLY HA3 . 51126 1 11 . 1 . 1 5 5 GLY C C 13 173.984 0.300 . 1 . . . . . 654 GLY C . 51126 1 12 . 1 . 1 5 5 GLY CA C 13 45.360 0.300 . 1 . . . . . 654 GLY CA . 51126 1 13 . 1 . 1 6 6 SER H H 1 8.168 0.020 . 1 . . . . . 655 SER H . 51126 1 14 . 1 . 1 6 6 SER HA H 1 4.486 0.020 . 1 . . . . . 655 SER HA . 51126 1 15 . 1 . 1 6 6 SER HB2 H 1 3.809 0.020 . 1 . . . . . 655 SER HB2 . 51126 1 16 . 1 . 1 6 6 SER HB3 H 1 3.809 0.020 . 1 . . . . . 655 SER HB3 . 51126 1 17 . 1 . 1 6 6 SER C C 13 173.915 0.300 . 1 . . . . . 655 SER C . 51126 1 18 . 1 . 1 6 6 SER CA C 13 58.265 0.300 . 1 . . . . . 655 SER CA . 51126 1 19 . 1 . 1 6 6 SER CB C 13 63.948 0.300 . 1 . . . . . 655 SER CB . 51126 1 20 . 1 . 1 6 6 SER N N 15 114.964 0.300 . 1 . . . . . 655 SER N . 51126 1 21 . 1 . 1 7 7 ASP H H 1 8.414 0.020 . 1 . . . . . 656 ASP H . 51126 1 22 . 1 . 1 7 7 ASP HA H 1 4.584 0.020 . 1 . . . . . 656 ASP HA . 51126 1 23 . 1 . 1 7 7 ASP HB2 H 1 2.607 0.020 . 2 . . . . . 656 ASP HB2 . 51126 1 24 . 1 . 1 7 7 ASP HB3 H 1 2.717 0.020 . 2 . . . . . 656 ASP HB3 . 51126 1 25 . 1 . 1 7 7 ASP C C 13 175.108 0.300 . 1 . . . . . 656 ASP C . 51126 1 26 . 1 . 1 7 7 ASP CA C 13 54.561 0.300 . 1 . . . . . 656 ASP CA . 51126 1 27 . 1 . 1 7 7 ASP CB C 13 41.179 0.300 . 1 . . . . . 656 ASP CB . 51126 1 28 . 1 . 1 7 7 ASP N N 15 121.438 0.300 . 1 . . . . . 656 ASP N . 51126 1 29 . 1 . 1 8 8 TYR H H 1 7.913 0.020 . 1 . . . . . 657 TYR H . 51126 1 30 . 1 . 1 8 8 TYR HA H 1 4.786 0.020 . 1 . . . . . 657 TYR HA . 51126 1 31 . 1 . 1 8 8 TYR HB2 H 1 2.632 0.020 . 2 . . . . . 657 TYR HB2 . 51126 1 32 . 1 . 1 8 8 TYR HB3 H 1 2.769 0.020 . 2 . . . . . 657 TYR HB3 . 51126 1 33 . 1 . 1 8 8 TYR HD1 H 1 6.898 0.020 . 1 . . . . . 657 TYR HD1 . 51126 1 34 . 1 . 1 8 8 TYR HD2 H 1 6.898 0.020 . 1 . . . . . 657 TYR HD2 . 51126 1 35 . 1 . 1 8 8 TYR HE1 H 1 6.717 0.020 . 1 . . . . . 657 TYR HE1 . 51126 1 36 . 1 . 1 8 8 TYR HE2 H 1 6.717 0.020 . 1 . . . . . 657 TYR HE2 . 51126 1 37 . 1 . 1 8 8 TYR C C 13 175.050 0.300 . 1 . . . . . 657 TYR C . 51126 1 38 . 1 . 1 8 8 TYR CA C 13 57.501 0.300 . 1 . . . . . 657 TYR CA . 51126 1 39 . 1 . 1 8 8 TYR CB C 13 40.558 0.300 . 1 . . . . . 657 TYR CB . 51126 1 40 . 1 . 1 8 8 TYR N N 15 117.585 0.300 . 1 . . . . . 657 TYR N . 51126 1 41 . 1 . 1 9 9 ILE H H 1 8.879 0.020 . 1 . . . . . 658 ILE H . 51126 1 42 . 1 . 1 9 9 ILE HA H 1 4.211 0.020 . 1 . . . . . 658 ILE HA . 51126 1 43 . 1 . 1 9 9 ILE HB H 1 1.740 0.020 . 1 . . . . . 658 ILE HB . 51126 1 44 . 1 . 1 9 9 ILE HG12 H 1 1.010 0.020 . 2 . . . . . 658 ILE HG12 . 51126 1 45 . 1 . 1 9 9 ILE HG13 H 1 1.325 0.020 . 2 . . . . . 658 ILE HG13 . 51126 1 46 . 1 . 1 9 9 ILE HG21 H 1 0.799 0.020 . 1 . . . . . 658 ILE HG2 . 51126 1 47 . 1 . 1 9 9 ILE HG22 H 1 0.799 0.020 . 1 . . . . . 658 ILE HG2 . 51126 1 48 . 1 . 1 9 9 ILE HG23 H 1 0.799 0.020 . 1 . . . . . 658 ILE HG2 . 51126 1 49 . 1 . 1 9 9 ILE HD11 H 1 0.690 0.020 . 1 . . . . . 658 ILE HD1 . 51126 1 50 . 1 . 1 9 9 ILE HD12 H 1 0.690 0.020 . 1 . . . . . 658 ILE HD1 . 51126 1 51 . 1 . 1 9 9 ILE HD13 H 1 0.690 0.020 . 1 . . . . . 658 ILE HD1 . 51126 1 52 . 1 . 1 9 9 ILE C C 13 174.950 0.300 . 1 . . . . . 658 ILE C . 51126 1 53 . 1 . 1 9 9 ILE CA C 13 60.659 0.300 . 1 . . . . . 658 ILE CA . 51126 1 54 . 1 . 1 9 9 ILE CB C 13 39.020 0.300 . 1 . . . . . 658 ILE CB . 51126 1 55 . 1 . 1 9 9 ILE CG1 C 13 27.336 0.300 . 1 . . . . . 658 ILE CG1 . 51126 1 56 . 1 . 1 9 9 ILE CG2 C 13 17.565 0.300 . 1 . . . . . 658 ILE CG2 . 51126 1 57 . 1 . 1 9 9 ILE CD1 C 13 13.027 0.300 . 1 . . . . . 658 ILE CD1 . 51126 1 58 . 1 . 1 9 9 ILE N N 15 123.031 0.300 . 1 . . . . . 658 ILE N . 51126 1 59 . 1 . 1 10 10 ILE H H 1 8.453 0.020 . 1 . . . . . 659 ILE H . 51126 1 60 . 1 . 1 10 10 ILE HA H 1 4.855 0.020 . 1 . . . . . 659 ILE HA . 51126 1 61 . 1 . 1 10 10 ILE HB H 1 1.753 0.020 . 1 . . . . . 659 ILE HB . 51126 1 62 . 1 . 1 10 10 ILE HG12 H 1 1.461 0.020 . 2 . . . . . 659 ILE HG12 . 51126 1 63 . 1 . 1 10 10 ILE HG13 H 1 1.104 0.020 . 2 . . . . . 659 ILE HG13 . 51126 1 64 . 1 . 1 10 10 ILE HG21 H 1 0.810 0.020 . 1 . . . . . 659 ILE HG2 . 51126 1 65 . 1 . 1 10 10 ILE HG22 H 1 0.810 0.020 . 1 . . . . . 659 ILE HG2 . 51126 1 66 . 1 . 1 10 10 ILE HG23 H 1 0.810 0.020 . 1 . . . . . 659 ILE HG2 . 51126 1 67 . 1 . 1 10 10 ILE HD11 H 1 0.773 0.020 . 1 . . . . . 659 ILE HD1 . 51126 1 68 . 1 . 1 10 10 ILE HD12 H 1 0.773 0.020 . 1 . . . . . 659 ILE HD1 . 51126 1 69 . 1 . 1 10 10 ILE HD13 H 1 0.773 0.020 . 1 . . . . . 659 ILE HD1 . 51126 1 70 . 1 . 1 10 10 ILE C C 13 175.806 0.300 . 1 . . . . . 659 ILE C . 51126 1 71 . 1 . 1 10 10 ILE CA C 13 59.990 0.300 . 1 . . . . . 659 ILE CA . 51126 1 72 . 1 . 1 10 10 ILE CB C 13 39.591 0.300 . 1 . . . . . 659 ILE CB . 51126 1 73 . 1 . 1 10 10 ILE CG1 C 13 27.621 0.300 . 1 . . . . . 659 ILE CG1 . 51126 1 74 . 1 . 1 10 10 ILE CG2 C 13 17.911 0.300 . 1 . . . . . 659 ILE CG2 . 51126 1 75 . 1 . 1 10 10 ILE CD1 C 13 13.229 0.300 . 1 . . . . . 659 ILE CD1 . 51126 1 76 . 1 . 1 10 10 ILE N N 15 126.568 0.300 . 1 . . . . . 659 ILE N . 51126 1 77 . 1 . 1 11 11 LYS H H 1 8.765 0.020 . 1 . . . . . 660 LYS H . 51126 1 78 . 1 . 1 11 11 LYS HA H 1 4.691 0.020 . 1 . . . . . 660 LYS HA . 51126 1 79 . 1 . 1 11 11 LYS HB2 H 1 1.686 0.020 . 2 . . . . . 660 LYS HB2 . 51126 1 80 . 1 . 1 11 11 LYS HB3 H 1 1.801 0.020 . 2 . . . . . 660 LYS HB3 . 51126 1 81 . 1 . 1 11 11 LYS C C 13 174.419 0.300 . 1 . . . . . 660 LYS C . 51126 1 82 . 1 . 1 11 11 LYS CA C 13 54.840 0.300 . 1 . . . . . 660 LYS CA . 51126 1 83 . 1 . 1 11 11 LYS CB C 13 35.544 0.300 . 1 . . . . . 660 LYS CB . 51126 1 84 . 1 . 1 11 11 LYS CG C 13 24.697 0.300 . 1 . . . . . 660 LYS CG . 51126 1 85 . 1 . 1 11 11 LYS N N 15 127.278 0.300 . 1 . . . . . 660 LYS N . 51126 1 86 . 1 . 1 12 12 GLU H H 1 8.700 0.020 . 1 . . . . . 661 GLU H . 51126 1 87 . 1 . 1 12 12 GLU HA H 1 5.160 0.020 . 1 . . . . . 661 GLU HA . 51126 1 88 . 1 . 1 12 12 GLU HB2 H 1 1.921 0.020 . 1 . . . . . 661 GLU HB2 . 51126 1 89 . 1 . 1 12 12 GLU HB3 H 1 1.921 0.020 . 1 . . . . . 661 GLU HB3 . 51126 1 90 . 1 . 1 12 12 GLU HG2 H 1 2.162 0.020 . 2 . . . . . 661 GLU HG2 . 51126 1 91 . 1 . 1 12 12 GLU HG3 H 1 2.070 0.020 . 2 . . . . . 661 GLU HG3 . 51126 1 92 . 1 . 1 12 12 GLU C C 13 176.167 0.300 . 1 . . . . . 661 GLU C . 51126 1 93 . 1 . 1 12 12 GLU CA C 13 55.067 0.300 . 1 . . . . . 661 GLU CA . 51126 1 94 . 1 . 1 12 12 GLU CB C 13 32.440 0.300 . 1 . . . . . 661 GLU CB . 51126 1 95 . 1 . 1 12 12 GLU CG C 13 36.859 0.300 . 1 . . . . . 661 GLU CG . 51126 1 96 . 1 . 1 12 12 GLU N N 15 124.800 0.300 . 1 . . . . . 661 GLU N . 51126 1 97 . 1 . 1 13 13 LYS H H 1 8.835 0.020 . 1 . . . . . 662 LYS H . 51126 1 98 . 1 . 1 13 13 LYS HA H 1 4.641 0.020 . 1 . . . . . 662 LYS HA . 51126 1 99 . 1 . 1 13 13 LYS HB2 H 1 1.605 0.020 . 2 . . . . . 662 LYS HB2 . 51126 1 100 . 1 . 1 13 13 LYS HB3 H 1 1.487 0.020 . 2 . . . . . 662 LYS HB3 . 51126 1 101 . 1 . 1 13 13 LYS C C 13 174.518 0.300 . 1 . . . . . 662 LYS C . 51126 1 102 . 1 . 1 13 13 LYS CA C 13 55.601 0.300 . 1 . . . . . 662 LYS CA . 51126 1 103 . 1 . 1 13 13 LYS CB C 13 34.940 0.300 . 1 . . . . . 662 LYS CB . 51126 1 104 . 1 . 1 13 13 LYS CG C 13 24.457 0.300 . 1 . . . . . 662 LYS CG . 51126 1 105 . 1 . 1 13 13 LYS N N 15 122.550 0.300 . 1 . . . . . 662 LYS N . 51126 1 106 . 1 . 1 14 14 THR H H 1 8.481 0.020 . 1 . . . . . 663 THR H . 51126 1 107 . 1 . 1 14 14 THR HA H 1 5.187 0.020 . 1 . . . . . 663 THR HA . 51126 1 108 . 1 . 1 14 14 THR HB H 1 3.933 0.020 . 1 . . . . . 663 THR HB . 51126 1 109 . 1 . 1 14 14 THR HG21 H 1 1.062 0.020 . 1 . . . . . 663 THR HG2 . 51126 1 110 . 1 . 1 14 14 THR HG22 H 1 1.062 0.020 . 1 . . . . . 663 THR HG2 . 51126 1 111 . 1 . 1 14 14 THR HG23 H 1 1.062 0.020 . 1 . . . . . 663 THR HG2 . 51126 1 112 . 1 . 1 14 14 THR C C 13 174.511 0.300 . 1 . . . . . 663 THR C . 51126 1 113 . 1 . 1 14 14 THR CA C 13 61.887 0.300 . 1 . . . . . 663 THR CA . 51126 1 114 . 1 . 1 14 14 THR CB C 13 69.516 0.300 . 1 . . . . . 663 THR CB . 51126 1 115 . 1 . 1 14 14 THR CG2 C 13 21.382 0.300 . 1 . . . . . 663 THR CG2 . 51126 1 116 . 1 . 1 14 14 THR N N 15 120.537 0.300 . 1 . . . . . 663 THR N . 51126 1 117 . 1 . 1 15 15 VAL H H 1 9.005 0.020 . 1 . . . . . 664 VAL H . 51126 1 118 . 1 . 1 15 15 VAL HA H 1 4.671 0.020 . 1 . . . . . 664 VAL HA . 51126 1 119 . 1 . 1 15 15 VAL HB H 1 1.957 0.020 . 1 . . . . . 664 VAL HB . 51126 1 120 . 1 . 1 15 15 VAL HG11 H 1 0.667 0.020 . 2 . . . . . 664 VAL MG1 . 51126 1 121 . 1 . 1 15 15 VAL HG12 H 1 0.667 0.020 . 2 . . . . . 664 VAL MG1 . 51126 1 122 . 1 . 1 15 15 VAL HG13 H 1 0.667 0.020 . 2 . . . . . 664 VAL MG1 . 51126 1 123 . 1 . 1 15 15 VAL HG21 H 1 0.783 0.020 . 2 . . . . . 664 VAL MG2 . 51126 1 124 . 1 . 1 15 15 VAL HG22 H 1 0.783 0.020 . 2 . . . . . 664 VAL MG2 . 51126 1 125 . 1 . 1 15 15 VAL HG23 H 1 0.783 0.020 . 2 . . . . . 664 VAL MG2 . 51126 1 126 . 1 . 1 15 15 VAL C C 13 172.249 0.300 . 1 . . . . . 664 VAL C . 51126 1 127 . 1 . 1 15 15 VAL CA C 13 59.302 0.300 . 1 . . . . . 664 VAL CA . 51126 1 128 . 1 . 1 15 15 VAL CB C 13 35.989 0.300 . 1 . . . . . 664 VAL CB . 51126 1 129 . 1 . 1 15 15 VAL CG1 C 13 20.095 0.300 . 1 . . . . . 664 VAL CG1 . 51126 1 130 . 1 . 1 15 15 VAL N N 15 120.987 0.300 . 1 . . . . . 664 VAL N . 51126 1 131 . 1 . 1 16 16 LEU H H 1 8.371 0.020 . 1 . . . . . 665 LEU H . 51126 1 132 . 1 . 1 16 16 LEU HA H 1 4.928 0.020 . 1 . . . . . 665 LEU HA . 51126 1 133 . 1 . 1 16 16 LEU HB2 H 1 1.836 0.020 . 2 . . . . . 665 LEU HB2 . 51126 1 134 . 1 . 1 16 16 LEU HB3 H 1 1.387 0.020 . 2 . . . . . 665 LEU HB3 . 51126 1 135 . 1 . 1 16 16 LEU HG H 1 1.332 0.020 . 1 . . . . . 665 LEU HG . 51126 1 136 . 1 . 1 16 16 LEU HD11 H 1 0.865 0.020 . 2 . . . . . 665 LEU MD1 . 51126 1 137 . 1 . 1 16 16 LEU HD12 H 1 0.865 0.020 . 2 . . . . . 665 LEU MD1 . 51126 1 138 . 1 . 1 16 16 LEU HD13 H 1 0.865 0.020 . 2 . . . . . 665 LEU MD1 . 51126 1 139 . 1 . 1 16 16 LEU HD21 H 1 0.840 0.020 . 2 . . . . . 665 LEU MD2 . 51126 1 140 . 1 . 1 16 16 LEU HD22 H 1 0.840 0.020 . 2 . . . . . 665 LEU MD2 . 51126 1 141 . 1 . 1 16 16 LEU HD23 H 1 0.840 0.020 . 2 . . . . . 665 LEU MD2 . 51126 1 142 . 1 . 1 16 16 LEU C C 13 175.497 0.300 . 1 . . . . . 665 LEU C . 51126 1 143 . 1 . 1 16 16 LEU CA C 13 53.740 0.300 . 1 . . . . . 665 LEU CA . 51126 1 144 . 1 . 1 16 16 LEU CB C 13 43.527 0.300 . 1 . . . . . 665 LEU CB . 51126 1 145 . 1 . 1 16 16 LEU CG C 13 27.807 0.300 . 1 . . . . . 665 LEU CG . 51126 1 146 . 1 . 1 16 16 LEU CD1 C 13 25.457 0.300 . 2 . . . . . 665 LEU CD1 . 51126 1 147 . 1 . 1 16 16 LEU CD2 C 13 23.783 0.300 . 2 . . . . . 665 LEU CD2 . 51126 1 148 . 1 . 1 16 16 LEU N N 15 125.449 0.300 . 1 . . . . . 665 LEU N . 51126 1 149 . 1 . 1 17 17 LEU H H 1 9.571 0.020 . 1 . . . . . 666 LEU H . 51126 1 150 . 1 . 1 17 17 LEU HA H 1 4.670 0.020 . 1 . . . . . 666 LEU HA . 51126 1 151 . 1 . 1 17 17 LEU HB2 H 1 1.389 0.020 . 2 . . . . . 666 LEU HB2 . 51126 1 152 . 1 . 1 17 17 LEU HB3 H 1 2.020 0.020 . 2 . . . . . 666 LEU HB3 . 51126 1 153 . 1 . 1 17 17 LEU HG H 1 1.637 0.020 . 1 . . . . . 666 LEU HG . 51126 1 154 . 1 . 1 17 17 LEU HD11 H 1 0.746 0.020 . 2 . . . . . 666 LEU MD1 . 51126 1 155 . 1 . 1 17 17 LEU HD12 H 1 0.746 0.020 . 2 . . . . . 666 LEU MD1 . 51126 1 156 . 1 . 1 17 17 LEU HD13 H 1 0.746 0.020 . 2 . . . . . 666 LEU MD1 . 51126 1 157 . 1 . 1 17 17 LEU HD21 H 1 0.789 0.020 . 2 . . . . . 666 LEU MD2 . 51126 1 158 . 1 . 1 17 17 LEU HD22 H 1 0.789 0.020 . 2 . . . . . 666 LEU MD2 . 51126 1 159 . 1 . 1 17 17 LEU HD23 H 1 0.789 0.020 . 2 . . . . . 666 LEU MD2 . 51126 1 160 . 1 . 1 17 17 LEU C C 13 174.955 0.300 . 1 . . . . . 666 LEU C . 51126 1 161 . 1 . 1 17 17 LEU CA C 13 53.612 0.300 . 1 . . . . . 666 LEU CA . 51126 1 162 . 1 . 1 17 17 LEU CB C 13 43.193 0.300 . 1 . . . . . 666 LEU CB . 51126 1 163 . 1 . 1 17 17 LEU CG C 13 27.203 0.300 . 1 . . . . . 666 LEU CG . 51126 1 164 . 1 . 1 17 17 LEU CD1 C 13 26.103 0.300 . 2 . . . . . 666 LEU CD1 . 51126 1 165 . 1 . 1 17 17 LEU CD2 C 13 25.186 0.300 . 2 . . . . . 666 LEU CD2 . 51126 1 166 . 1 . 1 17 17 LEU N N 15 126.504 0.300 . 1 . . . . . 666 LEU N . 51126 1 167 . 1 . 1 18 18 GLN H H 1 8.425 0.020 . 1 . . . . . 667 GLN H . 51126 1 168 . 1 . 1 18 18 GLN HA H 1 5.469 0.020 . 1 . . . . . 667 GLN HA . 51126 1 169 . 1 . 1 18 18 GLN HB2 H 1 2.052 0.020 . 2 . . . . . 667 GLN HB2 . 51126 1 170 . 1 . 1 18 18 GLN HB3 H 1 1.945 0.020 . 2 . . . . . 667 GLN HB3 . 51126 1 171 . 1 . 1 18 18 GLN HG2 H 1 2.318 0.020 . 2 . . . . . 667 GLN HG2 . 51126 1 172 . 1 . 1 18 18 GLN HG3 H 1 2.206 0.020 . 2 . . . . . 667 GLN HG3 . 51126 1 173 . 1 . 1 18 18 GLN HE21 H 1 7.538 0.020 . 1 . . . . . 667 GLN HE21 . 51126 1 174 . 1 . 1 18 18 GLN HE22 H 1 6.872 0.020 . 1 . . . . . 667 GLN HE22 . 51126 1 175 . 1 . 1 18 18 GLN C C 13 173.973 0.300 . 1 . . . . . 667 GLN C . 51126 1 176 . 1 . 1 18 18 GLN CA C 13 54.419 0.300 . 1 . . . . . 667 GLN CA . 51126 1 177 . 1 . 1 18 18 GLN CB C 13 31.510 0.300 . 1 . . . . . 667 GLN CB . 51126 1 178 . 1 . 1 18 18 GLN CG C 13 34.063 0.300 . 1 . . . . . 667 GLN CG . 51126 1 179 . 1 . 1 18 18 GLN N N 15 122.044 0.300 . 1 . . . . . 667 GLN N . 51126 1 180 . 1 . 1 18 18 GLN NE2 N 15 112.597 0.300 . 1 . . . . . 667 GLN NE2 . 51126 1 181 . 1 . 1 19 19 LYS H H 1 8.850 0.020 . 1 . . . . . 668 LYS H . 51126 1 182 . 1 . 1 19 19 LYS HA H 1 4.989 0.020 . 1 . . . . . 668 LYS HA . 51126 1 183 . 1 . 1 19 19 LYS HB2 H 1 1.692 0.020 . 2 . . . . . 668 LYS HB2 . 51126 1 184 . 1 . 1 19 19 LYS C C 13 174.835 0.300 . 1 . . . . . 668 LYS C . 51126 1 185 . 1 . 1 19 19 LYS CA C 13 53.326 0.300 . 1 . . . . . 668 LYS CA . 51126 1 186 . 1 . 1 19 19 LYS CB C 13 37.320 0.300 . 1 . . . . . 668 LYS CB . 51126 1 187 . 1 . 1 19 19 LYS N N 15 122.981 0.300 . 1 . . . . . 668 LYS N . 51126 1 188 . 1 . 1 20 20 LYS H H 1 9.172 0.020 . 1 . . . . . 669 LYS H . 51126 1 189 . 1 . 1 20 20 LYS HA H 1 4.471 0.020 . 1 . . . . . 669 LYS HA . 51126 1 190 . 1 . 1 20 20 LYS HB2 H 1 1.966 0.020 . 1 . . . . . 669 LYS HB2 . 51126 1 191 . 1 . 1 20 20 LYS HB3 H 1 1.966 0.020 . 1 . . . . . 669 LYS HB3 . 51126 1 192 . 1 . 1 20 20 LYS HG2 H 1 1.468 0.020 . 2 . . . . . 669 LYS HG2 . 51126 1 193 . 1 . 1 20 20 LYS HG3 H 1 1.409 0.020 . 2 . . . . . 669 LYS HG3 . 51126 1 194 . 1 . 1 20 20 LYS C C 13 178.129 0.300 . 1 . . . . . 669 LYS C . 51126 1 195 . 1 . 1 20 20 LYS CA C 13 54.994 0.300 . 1 . . . . . 669 LYS CA . 51126 1 196 . 1 . 1 20 20 LYS CB C 13 34.056 0.300 . 1 . . . . . 669 LYS CB . 51126 1 197 . 1 . 1 20 20 LYS CG C 13 25.199 0.300 . 1 . . . . . 669 LYS CG . 51126 1 198 . 1 . 1 20 20 LYS N N 15 118.811 0.300 . 1 . . . . . 669 LYS N . 51126 1 199 . 1 . 1 21 21 ASP H H 1 8.560 0.020 . 1 . . . . . 670 ASP H . 51126 1 200 . 1 . 1 21 21 ASP HA H 1 4.346 0.020 . 1 . . . . . 670 ASP HA . 51126 1 201 . 1 . 1 21 21 ASP HB2 H 1 2.614 0.020 . 1 . . . . . 670 ASP HB2 . 51126 1 202 . 1 . 1 21 21 ASP HB3 H 1 2.592 0.020 . 1 . . . . . 670 ASP HB3 . 51126 1 203 . 1 . 1 21 21 ASP C C 13 177.399 0.300 . 1 . . . . . 670 ASP C . 51126 1 204 . 1 . 1 21 21 ASP CA C 13 57.526 0.300 . 1 . . . . . 670 ASP CA . 51126 1 205 . 1 . 1 21 21 ASP CB C 13 41.261 0.300 . 1 . . . . . 670 ASP CB . 51126 1 206 . 1 . 1 21 21 ASP N N 15 119.601 0.300 . 1 . . . . . 670 ASP N . 51126 1 207 . 1 . 1 22 22 SER HA H 1 4.261 0.020 . 1 . . . . . 671 SER HA . 51126 1 208 . 1 . 1 22 22 SER HB2 H 1 4.090 0.020 . 2 . . . . . 671 SER HB2 . 51126 1 209 . 1 . 1 22 22 SER HB3 H 1 3.768 0.020 . 2 . . . . . 671 SER HB3 . 51126 1 210 . 1 . 1 22 22 SER C C 13 173.691 0.300 . 1 . . . . . 671 SER C . 51126 1 211 . 1 . 1 22 22 SER CA C 13 58.172 0.300 . 1 . . . . . 671 SER CA . 51126 1 212 . 1 . 1 22 22 SER CB C 13 63.025 0.300 . 1 . . . . . 671 SER CB . 51126 1 213 . 1 . 1 23 23 GLU H H 1 7.368 0.020 . 1 . . . . . 672 GLU H . 51126 1 214 . 1 . 1 23 23 GLU HA H 1 4.638 0.020 . 1 . . . . . 672 GLU HA . 51126 1 215 . 1 . 1 23 23 GLU HB2 H 1 2.099 0.020 . 2 . . . . . 672 GLU HB2 . 51126 1 216 . 1 . 1 23 23 GLU HB3 H 1 1.977 0.020 . 2 . . . . . 672 GLU HB3 . 51126 1 217 . 1 . 1 23 23 GLU HG2 H 1 2.294 0.020 . 2 . . . . . 672 GLU HG2 . 51126 1 218 . 1 . 1 23 23 GLU HG3 H 1 2.274 0.020 . 2 . . . . . 672 GLU HG3 . 51126 1 219 . 1 . 1 23 23 GLU C C 13 175.147 0.300 . 1 . . . . . 672 GLU C . 51126 1 220 . 1 . 1 23 23 GLU CA C 13 54.221 0.300 . 1 . . . . . 672 GLU CA . 51126 1 221 . 1 . 1 23 23 GLU CB C 13 32.858 0.300 . 1 . . . . . 672 GLU CB . 51126 1 222 . 1 . 1 23 23 GLU CG C 13 35.475 0.300 . 1 . . . . . 672 GLU CG . 51126 1 223 . 1 . 1 23 23 GLU N N 15 120.960 0.300 . 1 . . . . . 672 GLU N . 51126 1 224 . 1 . 1 24 24 GLY H H 1 8.296 0.020 . 1 . . . . . 673 GLY H . 51126 1 225 . 1 . 1 24 24 GLY HA2 H 1 4.355 0.020 . 2 . . . . . 673 GLY HA2 . 51126 1 226 . 1 . 1 24 24 GLY HA3 H 1 3.741 0.020 . 2 . . . . . 673 GLY HA3 . 51126 1 227 . 1 . 1 24 24 GLY C C 13 174.703 0.300 . 1 . . . . . 673 GLY C . 51126 1 228 . 1 . 1 24 24 GLY CA C 13 43.283 0.300 . 1 . . . . . 673 GLY CA . 51126 1 229 . 1 . 1 24 24 GLY N N 15 107.035 0.300 . 1 . . . . . 673 GLY N . 51126 1 230 . 1 . 1 25 25 PHE H H 1 8.751 0.020 . 1 . . . . . 674 PHE H . 51126 1 231 . 1 . 1 25 25 PHE HA H 1 4.167 0.020 . 1 . . . . . 674 PHE HA . 51126 1 232 . 1 . 1 25 25 PHE HB2 H 1 2.428 0.020 . 2 . . . . . 674 PHE HB2 . 51126 1 233 . 1 . 1 25 25 PHE HB3 H 1 3.131 0.020 . 2 . . . . . 674 PHE HB3 . 51126 1 234 . 1 . 1 25 25 PHE HD1 H 1 7.049 0.020 . 1 . . . . . 674 PHE HD1 . 51126 1 235 . 1 . 1 25 25 PHE HD2 H 1 7.049 0.020 . 1 . . . . . 674 PHE HD2 . 51126 1 236 . 1 . 1 25 25 PHE HE1 H 1 7.210 0.020 . 1 . . . . . 674 PHE HE1 . 51126 1 237 . 1 . 1 25 25 PHE HE2 H 1 7.210 0.020 . 1 . . . . . 674 PHE HE2 . 51126 1 238 . 1 . 1 25 25 PHE C C 13 176.209 0.300 . 1 . . . . . 674 PHE C . 51126 1 239 . 1 . 1 25 25 PHE CA C 13 61.475 0.300 . 1 . . . . . 674 PHE CA . 51126 1 240 . 1 . 1 25 25 PHE CB C 13 40.215 0.300 . 1 . . . . . 674 PHE CB . 51126 1 241 . 1 . 1 25 25 PHE N N 15 115.279 0.300 . 1 . . . . . 674 PHE N . 51126 1 242 . 1 . 1 26 26 GLY H H 1 8.642 0.020 . 1 . . . . . 675 GLY H . 51126 1 243 . 1 . 1 26 26 GLY HA2 H 1 4.331 0.020 . 2 . . . . . 675 GLY HA2 . 51126 1 244 . 1 . 1 26 26 GLY HA3 H 1 3.989 0.020 . 2 . . . . . 675 GLY HA3 . 51126 1 245 . 1 . 1 26 26 GLY C C 13 176.126 0.300 . 1 . . . . . 675 GLY C . 51126 1 246 . 1 . 1 26 26 GLY CA C 13 46.850 0.300 . 1 . . . . . 675 GLY CA . 51126 1 247 . 1 . 1 26 26 GLY N N 15 104.978 0.300 . 1 . . . . . 675 GLY N . 51126 1 248 . 1 . 1 27 27 PHE H H 1 7.153 0.020 . 1 . . . . . 676 PHE H . 51126 1 249 . 1 . 1 27 27 PHE HA H 1 5.473 0.020 . 1 . . . . . 676 PHE HA . 51126 1 250 . 1 . 1 27 27 PHE HB2 H 1 3.153 0.020 . 2 . . . . . 676 PHE HB2 . 51126 1 251 . 1 . 1 27 27 PHE HB3 H 1 2.875 0.020 . 2 . . . . . 676 PHE HB3 . 51126 1 252 . 1 . 1 27 27 PHE HD1 H 1 6.743 0.020 . 1 . . . . . 676 PHE HD1 . 51126 1 253 . 1 . 1 27 27 PHE HD2 H 1 6.743 0.020 . 1 . . . . . 676 PHE HD2 . 51126 1 254 . 1 . 1 27 27 PHE HE1 H 1 6.794 0.020 . 1 . . . . . 676 PHE HE1 . 51126 1 255 . 1 . 1 27 27 PHE HE2 H 1 6.794 0.020 . 1 . . . . . 676 PHE HE2 . 51126 1 256 . 1 . 1 27 27 PHE C C 13 172.827 0.300 . 1 . . . . . 676 PHE C . 51126 1 257 . 1 . 1 27 27 PHE CA C 13 55.806 0.300 . 1 . . . . . 676 PHE CA . 51126 1 258 . 1 . 1 27 27 PHE CB C 13 42.366 0.300 . 1 . . . . . 676 PHE CB . 51126 1 259 . 1 . 1 27 27 PHE N N 15 113.816 0.300 . 1 . . . . . 676 PHE N . 51126 1 260 . 1 . 1 28 28 VAL H H 1 8.418 0.020 . 1 . . . . . 677 VAL H . 51126 1 261 . 1 . 1 28 28 VAL HA H 1 4.312 0.020 . 1 . . . . . 677 VAL HA . 51126 1 262 . 1 . 1 28 28 VAL HB H 1 1.980 0.020 . 1 . . . . . 677 VAL HB . 51126 1 263 . 1 . 1 28 28 VAL HG11 H 1 0.979 0.020 . 2 . . . . . 677 VAL MG1 . 51126 1 264 . 1 . 1 28 28 VAL HG12 H 1 0.979 0.020 . 2 . . . . . 677 VAL MG1 . 51126 1 265 . 1 . 1 28 28 VAL HG13 H 1 0.979 0.020 . 2 . . . . . 677 VAL MG1 . 51126 1 266 . 1 . 1 28 28 VAL HG21 H 1 0.867 0.020 . 2 . . . . . 677 VAL MG2 . 51126 1 267 . 1 . 1 28 28 VAL HG22 H 1 0.867 0.020 . 2 . . . . . 677 VAL MG2 . 51126 1 268 . 1 . 1 28 28 VAL HG23 H 1 0.867 0.020 . 2 . . . . . 677 VAL MG2 . 51126 1 269 . 1 . 1 28 28 VAL C C 13 175.696 0.300 . 1 . . . . . 677 VAL C . 51126 1 270 . 1 . 1 28 28 VAL CA C 13 61.434 0.300 . 1 . . . . . 677 VAL CA . 51126 1 271 . 1 . 1 28 28 VAL CB C 13 35.036 0.300 . 1 . . . . . 677 VAL CB . 51126 1 272 . 1 . 1 28 28 VAL CG1 C 13 21.203 0.300 . 2 . . . . . 677 VAL CG1 . 51126 1 273 . 1 . 1 28 28 VAL CG2 C 13 21.127 0.300 . 2 . . . . . 677 VAL CG2 . 51126 1 274 . 1 . 1 28 28 VAL N N 15 120.513 0.300 . 1 . . . . . 677 VAL N . 51126 1 275 . 1 . 1 29 29 LEU H H 1 9.058 0.020 . 1 . . . . . 678 LEU H . 51126 1 276 . 1 . 1 29 29 LEU HA H 1 4.794 0.020 . 1 . . . . . 678 LEU HA . 51126 1 277 . 1 . 1 29 29 LEU HB2 H 1 1.738 0.020 . 2 . . . . . 678 LEU HB2 . 51126 1 278 . 1 . 1 29 29 LEU HB3 H 1 1.633 0.020 . 2 . . . . . 678 LEU HB3 . 51126 1 279 . 1 . 1 29 29 LEU C C 13 176.292 0.300 . 1 . . . . . 678 LEU C . 51126 1 280 . 1 . 1 29 29 LEU CA C 13 54.103 0.300 . 1 . . . . . 678 LEU CA . 51126 1 281 . 1 . 1 29 29 LEU CB C 13 43.625 0.300 . 1 . . . . . 678 LEU CB . 51126 1 282 . 1 . 1 29 29 LEU N N 15 128.077 0.300 . 1 . . . . . 678 LEU N . 51126 1 283 . 1 . 1 30 30 ARG H H 1 8.568 0.020 . 1 . . . . . 679 ARG H . 51126 1 284 . 1 . 1 30 30 ARG HA H 1 4.113 0.020 . 1 . . . . . 679 ARG HA . 51126 1 285 . 1 . 1 30 30 ARG C C 13 174.816 0.300 . 1 . . . . . 679 ARG C . 51126 1 286 . 1 . 1 30 30 ARG CA C 13 55.893 0.300 . 1 . . . . . 679 ARG CA . 51126 1 287 . 1 . 1 30 30 ARG N N 15 123.802 0.300 . 1 . . . . . 679 ARG N . 51126 1 288 . 1 . 1 31 31 GLY H H 1 8.291 0.020 . 1 . . . . . 680 GLY H . 51126 1 289 . 1 . 1 31 31 GLY HA2 H 1 4.267 0.020 . 5 . . . . . 680 GLY HA2 . 51126 1 290 . 1 . 1 31 31 GLY C C 13 176.262 0.300 . 1 . . . . . 680 GLY C . 51126 1 291 . 1 . 1 31 31 GLY CA C 13 45.176 0.300 . 1 . . . . . 680 GLY CA . 51126 1 292 . 1 . 1 31 31 GLY N N 15 110.310 0.300 . 1 . . . . . 680 GLY N . 51126 1 293 . 1 . 1 32 32 ALA HA H 1 4.001 0.020 . 5 . . . . . 681 ALA HA . 51126 1 294 . 1 . 1 32 32 ALA HB1 H 1 1.403 0.020 . 5 . . . . . 681 ALA MB . 51126 1 295 . 1 . 1 32 32 ALA HB2 H 1 1.403 0.020 . 5 . . . . . 681 ALA MB . 51126 1 296 . 1 . 1 32 32 ALA HB3 H 1 1.403 0.020 . 5 . . . . . 681 ALA MB . 51126 1 297 . 1 . 1 32 32 ALA CA C 13 53.375 0.300 . 5 . . . . . 681 ALA CA . 51126 1 298 . 1 . 1 32 32 ALA CB C 13 19.470 0.300 . 5 . . . . . 681 ALA CB . 51126 1 299 . 1 . 1 34 34 ALA HA H 1 4.379 0.020 . 5 . . . . . 683 ALA HA . 51126 1 300 . 1 . 1 34 34 ALA HB1 H 1 1.379 0.020 . 5 . . . . . 683 ALA MB . 51126 1 301 . 1 . 1 34 34 ALA HB2 H 1 1.379 0.020 . 5 . . . . . 683 ALA MB . 51126 1 302 . 1 . 1 34 34 ALA HB3 H 1 1.379 0.020 . 5 . . . . . 683 ALA MB . 51126 1 303 . 1 . 1 34 34 ALA CA C 13 52.026 0.300 . 5 . . . . . 683 ALA CA . 51126 1 304 . 1 . 1 34 34 ALA CB C 13 19.493 0.300 . 5 . . . . . 683 ALA CB . 51126 1 305 . 1 . 1 36 36 THR HA H 1 4.557 0.020 . 1 . . . . . 685 THR HA . 51126 1 306 . 1 . 1 36 36 THR HB H 1 4.115 0.020 . 1 . . . . . 685 THR HB . 51126 1 307 . 1 . 1 36 36 THR HG21 H 1 1.306 0.020 . 1 . . . . . 685 THR HG2 . 51126 1 308 . 1 . 1 36 36 THR HG22 H 1 1.306 0.020 . 1 . . . . . 685 THR HG2 . 51126 1 309 . 1 . 1 36 36 THR HG23 H 1 1.306 0.020 . 1 . . . . . 685 THR HG2 . 51126 1 310 . 1 . 1 36 36 THR CA C 13 60.612 0.300 . 1 . . . . . 685 THR CA . 51126 1 311 . 1 . 1 36 36 THR CB C 13 69.948 0.300 . 1 . . . . . 685 THR CB . 51126 1 312 . 1 . 1 36 36 THR CG2 C 13 21.358 0.300 . 1 . . . . . 685 THR CG2 . 51126 1 313 . 1 . 1 37 37 PRO HA H 1 4.459 0.020 . 1 . . . . . 686 PRO HA . 51126 1 314 . 1 . 1 37 37 PRO C C 13 178.421 0.300 . 1 . . . . . 686 PRO C . 51126 1 315 . 1 . 1 37 37 PRO CA C 13 63.458 0.300 . 1 . . . . . 686 PRO CA . 51126 1 316 . 1 . 1 37 37 PRO CB C 13 32.168 0.300 . 1 . . . . . 686 PRO CB . 51126 1 317 . 1 . 1 37 37 PRO CG C 13 27.487 0.300 . 1 . . . . . 686 PRO CG . 51126 1 318 . 1 . 1 38 38 ILE H H 1 8.433 0.020 . 1 . . . . . 687 ILE H . 51126 1 319 . 1 . 1 38 38 ILE HA H 1 3.849 0.020 . 1 . . . . . 687 ILE HA . 51126 1 320 . 1 . 1 38 38 ILE HB H 1 1.855 0.020 . 1 . . . . . 687 ILE HB . 51126 1 321 . 1 . 1 38 38 ILE HG12 H 1 1.178 0.020 . 2 . . . . . 687 ILE HG12 . 51126 1 322 . 1 . 1 38 38 ILE HG13 H 1 1.524 0.020 . 2 . . . . . 687 ILE HG13 . 51126 1 323 . 1 . 1 38 38 ILE HG21 H 1 0.959 0.020 . 1 . . . . . 687 ILE HG2 . 51126 1 324 . 1 . 1 38 38 ILE HG22 H 1 0.959 0.020 . 1 . . . . . 687 ILE HG2 . 51126 1 325 . 1 . 1 38 38 ILE HG23 H 1 0.959 0.020 . 1 . . . . . 687 ILE HG2 . 51126 1 326 . 1 . 1 38 38 ILE HD11 H 1 0.892 0.020 . 1 . . . . . 687 ILE HD1 . 51126 1 327 . 1 . 1 38 38 ILE HD12 H 1 0.892 0.020 . 1 . . . . . 687 ILE HD1 . 51126 1 328 . 1 . 1 38 38 ILE HD13 H 1 0.892 0.020 . 1 . . . . . 687 ILE HD1 . 51126 1 329 . 1 . 1 38 38 ILE C C 13 177.400 0.300 . 1 . . . . . 687 ILE C . 51126 1 330 . 1 . 1 38 38 ILE CA C 13 64.259 0.300 . 1 . . . . . 687 ILE CA . 51126 1 331 . 1 . 1 38 38 ILE CB C 13 38.300 0.300 . 1 . . . . . 687 ILE CB . 51126 1 332 . 1 . 1 38 38 ILE CG1 C 13 28.285 0.300 . 1 . . . . . 687 ILE CG1 . 51126 1 333 . 1 . 1 38 38 ILE CG2 C 13 17.608 0.300 . 1 . . . . . 687 ILE CG2 . 51126 1 334 . 1 . 1 38 38 ILE CD1 C 13 13.671 0.300 . 1 . . . . . 687 ILE CD1 . 51126 1 335 . 1 . 1 38 38 ILE N N 15 123.564 0.300 . 1 . . . . . 687 ILE N . 51126 1 336 . 1 . 1 39 39 GLU H H 1 8.983 0.020 . 1 . . . . . 688 GLU H . 51126 1 337 . 1 . 1 39 39 GLU HA H 1 4.209 0.020 . 1 . . . . . 688 GLU HA . 51126 1 338 . 1 . 1 39 39 GLU HB2 H 1 2.094 0.020 . 2 . . . . . 688 GLU HB2 . 51126 1 339 . 1 . 1 39 39 GLU HB3 H 1 2.020 0.020 . 2 . . . . . 688 GLU HB3 . 51126 1 340 . 1 . 1 39 39 GLU HG2 H 1 2.350 0.020 . 1 . . . . . 688 GLU HG2 . 51126 1 341 . 1 . 1 39 39 GLU HG3 H 1 2.350 0.020 . 1 . . . . . 688 GLU HG3 . 51126 1 342 . 1 . 1 39 39 GLU C C 13 177.086 0.300 . 1 . . . . . 688 GLU C . 51126 1 343 . 1 . 1 39 39 GLU CA C 13 58.414 0.300 . 1 . . . . . 688 GLU CA . 51126 1 344 . 1 . 1 39 39 GLU CB C 13 29.106 0.300 . 1 . . . . . 688 GLU CB . 51126 1 345 . 1 . 1 39 39 GLU CG C 13 36.488 0.300 . 1 . . . . . 688 GLU CG . 51126 1 346 . 1 . 1 39 39 GLU N N 15 119.190 0.300 . 1 . . . . . 688 GLU N . 51126 1 347 . 1 . 1 40 40 GLU H H 1 7.851 0.020 . 1 . . . . . 689 GLU H . 51126 1 348 . 1 . 1 40 40 GLU HA H 1 4.388 0.020 . 1 . . . . . 689 GLU HA . 51126 1 349 . 1 . 1 40 40 GLU HB2 H 1 2.213 0.020 . 2 . . . . . 689 GLU HB2 . 51126 1 350 . 1 . 1 40 40 GLU HB3 H 1 1.841 0.020 . 2 . . . . . 689 GLU HB3 . 51126 1 351 . 1 . 1 40 40 GLU HG2 H 1 2.203 0.020 . 1 . . . . . 689 GLU HG2 . 51126 1 352 . 1 . 1 40 40 GLU HG3 H 1 2.203 0.020 . 1 . . . . . 689 GLU HG3 . 51126 1 353 . 1 . 1 40 40 GLU C C 13 175.869 0.300 . 1 . . . . . 689 GLU C . 51126 1 354 . 1 . 1 40 40 GLU CA C 13 55.520 0.300 . 1 . . . . . 689 GLU CA . 51126 1 355 . 1 . 1 40 40 GLU CB C 13 30.551 0.300 . 1 . . . . . 689 GLU CB . 51126 1 356 . 1 . 1 40 40 GLU CG C 13 36.292 0.300 . 1 . . . . . 689 GLU CG . 51126 1 357 . 1 . 1 40 40 GLU N N 15 117.505 0.300 . 1 . . . . . 689 GLU N . 51126 1 358 . 1 . 1 41 41 PHE H H 1 7.817 0.020 . 1 . . . . . 690 PHE H . 51126 1 359 . 1 . 1 41 41 PHE HA H 1 4.483 0.020 . 1 . . . . . 690 PHE HA . 51126 1 360 . 1 . 1 41 41 PHE HB2 H 1 3.133 0.020 . 2 . . . . . 690 PHE HB2 . 51126 1 361 . 1 . 1 41 41 PHE HB3 H 1 2.892 0.020 . 2 . . . . . 690 PHE HB3 . 51126 1 362 . 1 . 1 41 41 PHE HD1 H 1 7.028 0.020 . 1 . . . . . 690 PHE HD1 . 51126 1 363 . 1 . 1 41 41 PHE HD2 H 1 7.028 0.020 . 1 . . . . . 690 PHE HD2 . 51126 1 364 . 1 . 1 41 41 PHE HE1 H 1 7.332 0.020 . 1 . . . . . 690 PHE HE1 . 51126 1 365 . 1 . 1 41 41 PHE HE2 H 1 7.332 0.020 . 1 . . . . . 690 PHE HE2 . 51126 1 366 . 1 . 1 41 41 PHE C C 13 174.603 0.300 . 1 . . . . . 690 PHE C . 51126 1 367 . 1 . 1 41 41 PHE CA C 13 58.696 0.300 . 1 . . . . . 690 PHE CA . 51126 1 368 . 1 . 1 41 41 PHE CB C 13 40.228 0.300 . 1 . . . . . 690 PHE CB . 51126 1 369 . 1 . 1 41 41 PHE N N 15 122.317 0.300 . 1 . . . . . 690 PHE N . 51126 1 370 . 1 . 1 42 42 THR H H 1 7.609 0.020 . 1 . . . . . 691 THR H . 51126 1 371 . 1 . 1 42 42 THR HA H 1 4.330 0.020 . 1 . . . . . 691 THR HA . 51126 1 372 . 1 . 1 42 42 THR HB H 1 3.769 0.020 . 1 . . . . . 691 THR HB . 51126 1 373 . 1 . 1 42 42 THR HG21 H 1 1.029 0.020 . 1 . . . . . 691 THR HG2 . 51126 1 374 . 1 . 1 42 42 THR HG22 H 1 1.029 0.020 . 1 . . . . . 691 THR HG2 . 51126 1 375 . 1 . 1 42 42 THR HG23 H 1 1.029 0.020 . 1 . . . . . 691 THR HG2 . 51126 1 376 . 1 . 1 42 42 THR C C 13 182.636 0.300 . 1 . . . . . 691 THR C . 51126 1 377 . 1 . 1 42 42 THR CA C 13 58.137 0.300 . 1 . . . . . 691 THR CA . 51126 1 378 . 1 . 1 42 42 THR CB C 13 70.832 0.300 . 1 . . . . . 691 THR CB . 51126 1 379 . 1 . 1 42 42 THR CG2 C 13 20.527 0.300 . 1 . . . . . 691 THR CG2 . 51126 1 380 . 1 . 1 42 42 THR N N 15 124.459 0.300 . 1 . . . . . 691 THR N . 51126 1 381 . 1 . 1 43 43 PRO HA H 1 4.085 0.020 . 1 . . . . . 692 PRO HA . 51126 1 382 . 1 . 1 43 43 PRO C C 13 175.657 0.300 . 1 . . . . . 692 PRO C . 51126 1 383 . 1 . 1 43 43 PRO CA C 13 62.847 0.300 . 1 . . . . . 692 PRO CA . 51126 1 384 . 1 . 1 43 43 PRO CB C 13 32.114 0.300 . 1 . . . . . 692 PRO CB . 51126 1 385 . 1 . 1 43 43 PRO CG C 13 26.918 0.300 . 1 . . . . . 692 PRO CG . 51126 1 386 . 1 . 1 44 44 THR H H 1 7.586 0.020 . 1 . . . . . 693 THR H . 51126 1 387 . 1 . 1 44 44 THR HA H 1 4.624 0.020 . 1 . . . . . 693 THR HA . 51126 1 388 . 1 . 1 44 44 THR HB H 1 4.347 0.020 . 1 . . . . . 693 THR HB . 51126 1 389 . 1 . 1 44 44 THR HG21 H 1 1.129 0.020 . 1 . . . . . 693 THR HG2 . 51126 1 390 . 1 . 1 44 44 THR HG22 H 1 1.129 0.020 . 1 . . . . . 693 THR HG2 . 51126 1 391 . 1 . 1 44 44 THR HG23 H 1 1.129 0.020 . 1 . . . . . 693 THR HG2 . 51126 1 392 . 1 . 1 44 44 THR C C 13 173.590 0.300 . 1 . . . . . 693 THR C . 51126 1 393 . 1 . 1 44 44 THR CA C 13 58.936 0.300 . 1 . . . . . 693 THR CA . 51126 1 394 . 1 . 1 44 44 THR CB C 13 70.313 0.300 . 1 . . . . . 693 THR CB . 51126 1 395 . 1 . 1 44 44 THR CG2 C 13 21.945 0.300 . 1 . . . . . 693 THR CG2 . 51126 1 396 . 1 . 1 44 44 THR N N 15 114.647 0.300 . 1 . . . . . 693 THR N . 51126 1 397 . 1 . 1 45 45 PRO HA H 1 3.901 0.020 . 1 . . . . . 694 PRO HA . 51126 1 398 . 1 . 1 45 45 PRO C C 13 175.675 0.300 . 1 . . . . . 694 PRO C . 51126 1 399 . 1 . 1 45 45 PRO CA C 13 65.656 0.300 . 1 . . . . . 694 PRO CA . 51126 1 400 . 1 . 1 45 45 PRO CB C 13 31.573 0.300 . 1 . . . . . 694 PRO CB . 51126 1 401 . 1 . 1 46 46 ALA H H 1 6.991 0.020 . 1 . . . . . 695 ALA H . 51126 1 402 . 1 . 1 46 46 ALA HA H 1 3.603 0.020 . 1 . . . . . 695 ALA HA . 51126 1 403 . 1 . 1 46 46 ALA HB1 H 1 0.869 0.020 . 1 . . . . . 695 ALA MB . 51126 1 404 . 1 . 1 46 46 ALA HB2 H 1 0.869 0.020 . 1 . . . . . 695 ALA MB . 51126 1 405 . 1 . 1 46 46 ALA HB3 H 1 0.869 0.020 . 1 . . . . . 695 ALA MB . 51126 1 406 . 1 . 1 46 46 ALA C C 13 176.152 0.300 . 1 . . . . . 695 ALA C . 51126 1 407 . 1 . 1 46 46 ALA CA C 13 52.377 0.300 . 1 . . . . . 695 ALA CA . 51126 1 408 . 1 . 1 46 46 ALA CB C 13 18.895 0.300 . 1 . . . . . 695 ALA CB . 51126 1 409 . 1 . 1 46 46 ALA N N 15 110.629 0.300 . 1 . . . . . 695 ALA N . 51126 1 410 . 1 . 1 47 47 PHE H H 1 7.027 0.020 . 1 . . . . . 696 PHE H . 51126 1 411 . 1 . 1 47 47 PHE HA H 1 4.398 0.020 . 1 . . . . . 696 PHE HA . 51126 1 412 . 1 . 1 47 47 PHE HB2 H 1 3.236 0.020 . 2 . . . . . 696 PHE HB2 . 51126 1 413 . 1 . 1 47 47 PHE HB3 H 1 2.740 0.020 . 2 . . . . . 696 PHE HB3 . 51126 1 414 . 1 . 1 47 47 PHE HD1 H 1 7.309 0.020 . 1 . . . . . 696 PHE HD1 . 51126 1 415 . 1 . 1 47 47 PHE HD2 H 1 7.309 0.020 . 1 . . . . . 696 PHE HD2 . 51126 1 416 . 1 . 1 47 47 PHE HE1 H 1 7.462 0.020 . 1 . . . . . 696 PHE HE1 . 51126 1 417 . 1 . 1 47 47 PHE HE2 H 1 7.462 0.020 . 1 . . . . . 696 PHE HE2 . 51126 1 418 . 1 . 1 47 47 PHE C C 13 173.735 0.300 . 1 . . . . . 696 PHE C . 51126 1 419 . 1 . 1 47 47 PHE CA C 13 54.084 0.300 . 1 . . . . . 696 PHE CA . 51126 1 420 . 1 . 1 47 47 PHE CB C 13 39.158 0.300 . 1 . . . . . 696 PHE CB . 51126 1 421 . 1 . 1 47 47 PHE N N 15 114.408 0.300 . 1 . . . . . 696 PHE N . 51126 1 422 . 1 . 1 48 48 PRO HA H 1 4.383 0.020 . 1 . . . . . 697 PRO HA . 51126 1 423 . 1 . 1 48 48 PRO HB2 H 1 2.030 0.020 . 2 . . . . . 697 PRO HB2 . 51126 1 424 . 1 . 1 48 48 PRO C C 13 174.485 0.300 . 1 . . . . . 697 PRO C . 51126 1 425 . 1 . 1 48 48 PRO CA C 13 64.289 0.300 . 1 . . . . . 697 PRO CA . 51126 1 426 . 1 . 1 48 48 PRO CB C 13 32.428 0.300 . 1 . . . . . 697 PRO CB . 51126 1 427 . 1 . 1 49 49 ALA H H 1 7.066 0.020 . 1 . . . . . 698 ALA H . 51126 1 428 . 1 . 1 49 49 ALA HA H 1 4.770 0.020 . 1 . . . . . 698 ALA HA . 51126 1 429 . 1 . 1 49 49 ALA HB1 H 1 1.778 0.020 . 1 . . . . . 698 ALA MB . 51126 1 430 . 1 . 1 49 49 ALA HB2 H 1 1.778 0.020 . 1 . . . . . 698 ALA MB . 51126 1 431 . 1 . 1 49 49 ALA HB3 H 1 1.778 0.020 . 1 . . . . . 698 ALA MB . 51126 1 432 . 1 . 1 49 49 ALA C C 13 174.785 0.300 . 1 . . . . . 698 ALA C . 51126 1 433 . 1 . 1 49 49 ALA CA C 13 51.118 0.300 . 1 . . . . . 698 ALA CA . 51126 1 434 . 1 . 1 49 49 ALA CB C 13 24.441 0.300 . 1 . . . . . 698 ALA CB . 51126 1 435 . 1 . 1 49 49 ALA N N 15 116.555 0.300 . 1 . . . . . 698 ALA N . 51126 1 436 . 1 . 1 50 50 LEU H H 1 8.116 0.020 . 1 . . . . . 699 LEU H . 51126 1 437 . 1 . 1 50 50 LEU HA H 1 3.842 0.020 . 1 . . . . . 699 LEU HA . 51126 1 438 . 1 . 1 50 50 LEU HB2 H 1 1.411 0.020 . 2 . . . . . 699 LEU HB2 . 51126 1 439 . 1 . 1 50 50 LEU HB3 H 1 1.394 0.020 . 2 . . . . . 699 LEU HB3 . 51126 1 440 . 1 . 1 50 50 LEU HD11 H 1 0.681 0.020 . 2 . . . . . 699 LEU MD1 . 51126 1 441 . 1 . 1 50 50 LEU HD12 H 1 0.681 0.020 . 2 . . . . . 699 LEU MD1 . 51126 1 442 . 1 . 1 50 50 LEU HD13 H 1 0.681 0.020 . 2 . . . . . 699 LEU MD1 . 51126 1 443 . 1 . 1 50 50 LEU HD21 H 1 0.727 0.020 . 2 . . . . . 699 LEU MD2 . 51126 1 444 . 1 . 1 50 50 LEU HD22 H 1 0.727 0.020 . 2 . . . . . 699 LEU MD2 . 51126 1 445 . 1 . 1 50 50 LEU HD23 H 1 0.727 0.020 . 2 . . . . . 699 LEU MD2 . 51126 1 446 . 1 . 1 50 50 LEU C C 13 177.595 0.300 . 1 . . . . . 699 LEU C . 51126 1 447 . 1 . 1 50 50 LEU CA C 13 56.622 0.300 . 1 . . . . . 699 LEU CA . 51126 1 448 . 1 . 1 50 50 LEU CB C 13 43.965 0.300 . 1 . . . . . 699 LEU CB . 51126 1 449 . 1 . 1 50 50 LEU CD1 C 13 25.122 0.300 . 2 . . . . . 699 LEU CD1 . 51126 1 450 . 1 . 1 50 50 LEU CD2 C 13 26.020 0.300 . 2 . . . . . 699 LEU CD2 . 51126 1 451 . 1 . 1 50 50 LEU N N 15 117.012 0.300 . 1 . . . . . 699 LEU N . 51126 1 452 . 1 . 1 51 51 GLN H H 1 8.800 0.020 . 1 . . . . . 700 GLN H . 51126 1 453 . 1 . 1 51 51 GLN HA H 1 5.200 0.020 . 1 . . . . . 700 GLN HA . 51126 1 454 . 1 . 1 51 51 GLN C C 13 174.986 0.300 . 1 . . . . . 700 GLN C . 51126 1 455 . 1 . 1 51 51 GLN CA C 13 53.183 0.300 . 1 . . . . . 700 GLN CA . 51126 1 456 . 1 . 1 51 51 GLN CB C 13 29.329 0.300 . 1 . . . . . 700 GLN CB . 51126 1 457 . 1 . 1 51 51 GLN N N 15 114.040 0.300 . 1 . . . . . 700 GLN N . 51126 1 458 . 1 . 1 52 52 TYR H H 1 8.321 0.020 . 1 . . . . . 701 TYR H . 51126 1 459 . 1 . 1 52 52 TYR HA H 1 5.130 0.020 . 1 . . . . . 701 TYR HA . 51126 1 460 . 1 . 1 52 52 TYR HD1 H 1 6.609 0.020 . 1 . . . . . 701 TYR HD1 . 51126 1 461 . 1 . 1 52 52 TYR HD2 H 1 6.609 0.020 . 1 . . . . . 701 TYR HD2 . 51126 1 462 . 1 . 1 52 52 TYR HE1 H 1 6.724 0.020 . 1 . . . . . 701 TYR HE1 . 51126 1 463 . 1 . 1 52 52 TYR HE2 H 1 6.724 0.020 . 1 . . . . . 701 TYR HE2 . 51126 1 464 . 1 . 1 52 52 TYR C C 13 173.478 0.300 . 1 . . . . . 701 TYR C . 51126 1 465 . 1 . 1 52 52 TYR CA C 13 54.726 0.300 . 1 . . . . . 701 TYR CA . 51126 1 466 . 1 . 1 52 52 TYR CB C 13 40.937 0.300 . 1 . . . . . 701 TYR CB . 51126 1 467 . 1 . 1 52 52 TYR N N 15 116.544 0.300 . 1 . . . . . 701 TYR N . 51126 1 468 . 1 . 1 53 53 LEU H H 1 8.649 0.020 . 1 . . . . . 702 LEU H . 51126 1 469 . 1 . 1 53 53 LEU HA H 1 4.770 0.020 . 1 . . . . . 702 LEU HA . 51126 1 470 . 1 . 1 53 53 LEU C C 13 175.164 0.300 . 1 . . . . . 702 LEU C . 51126 1 471 . 1 . 1 53 53 LEU CA C 13 54.963 0.300 . 1 . . . . . 702 LEU CA . 51126 1 472 . 1 . 1 53 53 LEU CB C 13 39.411 0.300 . 1 . . . . . 702 LEU CB . 51126 1 473 . 1 . 1 53 53 LEU N N 15 118.455 0.300 . 1 . . . . . 702 LEU N . 51126 1 474 . 1 . 1 54 54 GLU H H 1 8.917 0.020 . 1 . . . . . 703 GLU H . 51126 1 475 . 1 . 1 54 54 GLU HA H 1 4.237 0.020 . 1 . . . . . 703 GLU HA . 51126 1 476 . 1 . 1 54 54 GLU HB2 H 1 1.721 0.020 . 1 . . . . . 703 GLU HB2 . 51126 1 477 . 1 . 1 54 54 GLU HB3 H 1 1.721 0.020 . 1 . . . . . 703 GLU HB3 . 51126 1 478 . 1 . 1 54 54 GLU HG2 H 1 2.203 0.020 . 2 . . . . . 703 GLU HG2 . 51126 1 479 . 1 . 1 54 54 GLU HG3 H 1 2.148 0.020 . 2 . . . . . 703 GLU HG3 . 51126 1 480 . 1 . 1 54 54 GLU C C 13 175.513 0.300 . 1 . . . . . 703 GLU C . 51126 1 481 . 1 . 1 54 54 GLU CA C 13 57.633 0.300 . 1 . . . . . 703 GLU CA . 51126 1 482 . 1 . 1 54 54 GLU CB C 13 31.152 0.300 . 1 . . . . . 703 GLU CB . 51126 1 483 . 1 . 1 54 54 GLU CG C 13 36.243 0.300 . 1 . . . . . 703 GLU CG . 51126 1 484 . 1 . 1 54 54 GLU N N 15 130.585 0.300 . 1 . . . . . 703 GLU N . 51126 1 485 . 1 . 1 55 55 SER H H 1 7.684 0.020 . 1 . . . . . 704 SER H . 51126 1 486 . 1 . 1 55 55 SER HA H 1 4.585 0.020 . 1 . . . . . 704 SER HA . 51126 1 487 . 1 . 1 55 55 SER HB2 H 1 3.781 0.020 . 1 . . . . . 704 SER HB2 . 51126 1 488 . 1 . 1 55 55 SER HB3 H 1 3.781 0.020 . 1 . . . . . 704 SER HB3 . 51126 1 489 . 1 . 1 55 55 SER C C 13 172.592 0.300 . 1 . . . . . 704 SER C . 51126 1 490 . 1 . 1 55 55 SER CA C 13 57.091 0.300 . 1 . . . . . 704 SER CA . 51126 1 491 . 1 . 1 55 55 SER CB C 13 64.920 0.300 . 1 . . . . . 704 SER CB . 51126 1 492 . 1 . 1 55 55 SER N N 15 108.078 0.300 . 1 . . . . . 704 SER N . 51126 1 493 . 1 . 1 56 56 VAL H H 1 8.436 0.020 . 1 . . . . . 705 VAL H . 51126 1 494 . 1 . 1 56 56 VAL HA H 1 4.647 0.020 . 1 . . . . . 705 VAL HA . 51126 1 495 . 1 . 1 56 56 VAL HB H 1 2.086 0.020 . 1 . . . . . 705 VAL HB . 51126 1 496 . 1 . 1 56 56 VAL HG11 H 1 0.730 0.020 . 2 . . . . . 705 VAL MG1 . 51126 1 497 . 1 . 1 56 56 VAL HG12 H 1 0.730 0.020 . 2 . . . . . 705 VAL MG1 . 51126 1 498 . 1 . 1 56 56 VAL HG13 H 1 0.730 0.020 . 2 . . . . . 705 VAL MG1 . 51126 1 499 . 1 . 1 56 56 VAL HG21 H 1 1.187 0.020 . 5 . . . . . 705 VAL MG2 . 51126 1 500 . 1 . 1 56 56 VAL HG22 H 1 1.187 0.020 . 5 . . . . . 705 VAL MG2 . 51126 1 501 . 1 . 1 56 56 VAL HG23 H 1 1.187 0.020 . 5 . . . . . 705 VAL MG2 . 51126 1 502 . 1 . 1 56 56 VAL C C 13 174.902 0.300 . 1 . . . . . 705 VAL C . 51126 1 503 . 1 . 1 56 56 VAL CA C 13 61.811 0.300 . 1 . . . . . 705 VAL CA . 51126 1 504 . 1 . 1 56 56 VAL CB C 13 35.809 0.300 . 1 . . . . . 705 VAL CB . 51126 1 505 . 1 . 1 56 56 VAL CG1 C 13 23.316 0.300 . 2 . . . . . 705 VAL CG1 . 51126 1 506 . 1 . 1 56 56 VAL CG2 C 13 22.303 0.300 . 2 . . . . . 705 VAL CG2 . 51126 1 507 . 1 . 1 56 56 VAL N N 15 120.970 0.300 . 1 . . . . . 705 VAL N . 51126 1 508 . 1 . 1 57 57 ASP H H 1 7.998 0.020 . 1 . . . . . 706 ASP H . 51126 1 509 . 1 . 1 57 57 ASP HA H 1 4.436 0.020 . 1 . . . . . 706 ASP HA . 51126 1 510 . 1 . 1 57 57 ASP HB2 H 1 2.513 0.020 . 2 . . . . . 706 ASP HB2 . 51126 1 511 . 1 . 1 57 57 ASP HB3 H 1 2.616 0.020 . 2 . . . . . 706 ASP HB3 . 51126 1 512 . 1 . 1 57 57 ASP C C 13 177.299 0.300 . 1 . . . . . 706 ASP C . 51126 1 513 . 1 . 1 57 57 ASP CA C 13 54.483 0.300 . 1 . . . . . 706 ASP CA . 51126 1 514 . 1 . 1 57 57 ASP CB C 13 40.762 0.300 . 1 . . . . . 706 ASP CB . 51126 1 515 . 1 . 1 57 57 ASP N N 15 126.286 0.300 . 1 . . . . . 706 ASP N . 51126 1 516 . 1 . 1 58 58 GLU H H 1 9.308 0.020 . 1 . . . . . 707 GLU H . 51126 1 517 . 1 . 1 58 58 GLU CA C 13 58.845 0.300 . 1 . . . . . 707 GLU CA . 51126 1 518 . 1 . 1 58 58 GLU N N 15 131.229 0.300 . 1 . . . . . 707 GLU N . 51126 1 519 . 1 . 1 59 59 GLY C C 13 174.429 0.300 . 1 . . . . . 708 GLY C . 51126 1 520 . 1 . 1 59 59 GLY CA C 13 45.136 0.300 . 1 . . . . . 708 GLY CA . 51126 1 521 . 1 . 1 60 60 GLY H H 1 7.767 0.020 . 1 . . . . . 709 GLY H . 51126 1 522 . 1 . 1 60 60 GLY HA2 H 1 4.416 0.020 . 2 . . . . . 709 GLY HA2 . 51126 1 523 . 1 . 1 60 60 GLY HA3 H 1 4.148 0.020 . 2 . . . . . 709 GLY HA3 . 51126 1 524 . 1 . 1 60 60 GLY C C 13 173.412 0.300 . 1 . . . . . 709 GLY C . 51126 1 525 . 1 . 1 60 60 GLY CA C 13 44.870 0.300 . 1 . . . . . 709 GLY CA . 51126 1 526 . 1 . 1 60 60 GLY N N 15 107.560 0.300 . 1 . . . . . 709 GLY N . 51126 1 527 . 1 . 1 61 61 VAL H H 1 8.863 0.020 . 1 . . . . . 710 VAL H . 51126 1 528 . 1 . 1 61 61 VAL HA H 1 3.599 0.020 . 1 . . . . . 710 VAL HA . 51126 1 529 . 1 . 1 61 61 VAL HB H 1 2.306 0.020 . 1 . . . . . 710 VAL HB . 51126 1 530 . 1 . 1 61 61 VAL HG11 H 1 1.199 0.020 . 5 . . . . . 710 VAL MG1 . 51126 1 531 . 1 . 1 61 61 VAL HG12 H 1 1.199 0.020 . 5 . . . . . 710 VAL MG1 . 51126 1 532 . 1 . 1 61 61 VAL HG13 H 1 1.199 0.020 . 5 . . . . . 710 VAL MG1 . 51126 1 533 . 1 . 1 61 61 VAL C C 13 179.111 0.300 . 1 . . . . . 710 VAL C . 51126 1 534 . 1 . 1 61 61 VAL CA C 13 67.159 0.300 . 1 . . . . . 710 VAL CA . 51126 1 535 . 1 . 1 61 61 VAL CB C 13 32.045 0.300 . 1 . . . . . 710 VAL CB . 51126 1 536 . 1 . 1 61 61 VAL CG2 C 13 22.419 0.300 . 1 . . . . . 710 VAL CG2 . 51126 1 537 . 1 . 1 61 61 VAL N N 15 118.484 0.300 . 1 . . . . . 710 VAL N . 51126 1 538 . 1 . 1 62 62 ALA H H 1 8.285 0.020 . 1 . . . . . 711 ALA H . 51126 1 539 . 1 . 1 62 62 ALA HA H 1 4.138 0.020 . 1 . . . . . 711 ALA HA . 51126 1 540 . 1 . 1 62 62 ALA HB1 H 1 1.621 0.020 . 1 . . . . . 711 ALA MB . 51126 1 541 . 1 . 1 62 62 ALA HB2 H 1 1.621 0.020 . 1 . . . . . 711 ALA MB . 51126 1 542 . 1 . 1 62 62 ALA HB3 H 1 1.621 0.020 . 1 . . . . . 711 ALA MB . 51126 1 543 . 1 . 1 62 62 ALA C C 13 178.619 0.300 . 1 . . . . . 711 ALA C . 51126 1 544 . 1 . 1 62 62 ALA CA C 13 55.352 0.300 . 1 . . . . . 711 ALA CA . 51126 1 545 . 1 . 1 62 62 ALA CB C 13 18.776 0.300 . 1 . . . . . 711 ALA CB . 51126 1 546 . 1 . 1 62 62 ALA N N 15 121.614 0.300 . 1 . . . . . 711 ALA N . 51126 1 547 . 1 . 1 63 63 TRP H H 1 9.256 0.020 . 1 . . . . . 712 TRP H . 51126 1 548 . 1 . 1 63 63 TRP HA H 1 4.777 0.020 . 1 . . . . . 712 TRP HA . 51126 1 549 . 1 . 1 63 63 TRP HD1 H 1 7.193 0.020 . 1 . . . . . 712 TRP HD1 . 51126 1 550 . 1 . 1 63 63 TRP HE1 H 1 10.549 0.020 . 1 . . . . . 712 TRP HE1 . 51126 1 551 . 1 . 1 63 63 TRP HZ2 H 1 7.534 0.020 . 1 . . . . . 712 TRP HZ2 . 51126 1 552 . 1 . 1 63 63 TRP CA C 13 60.158 0.300 . 1 . . . . . 712 TRP CA . 51126 1 553 . 1 . 1 63 63 TRP N N 15 121.185 0.300 . 1 . . . . . 712 TRP N . 51126 1 554 . 1 . 1 63 63 TRP NE1 N 15 132.781 0.300 . 1 . . . . . 712 TRP NE1 . 51126 1 555 . 1 . 1 64 64 ARG H H 1 9.005 0.020 . 1 . . . . . 713 ARG H . 51126 1 556 . 1 . 1 64 64 ARG C C 13 177.115 0.300 . 1 . . . . . 713 ARG C . 51126 1 557 . 1 . 1 64 64 ARG CA C 13 60.028 0.300 . 1 . . . . . 713 ARG CA . 51126 1 558 . 1 . 1 64 64 ARG CB C 13 30.305 0.300 . 1 . . . . . 713 ARG CB . 51126 1 559 . 1 . 1 64 64 ARG N N 15 120.616 0.300 . 1 . . . . . 713 ARG N . 51126 1 560 . 1 . 1 65 65 ALA H H 1 7.453 0.020 . 1 . . . . . 714 ALA H . 51126 1 561 . 1 . 1 65 65 ALA HA H 1 4.416 0.020 . 1 . . . . . 714 ALA HA . 51126 1 562 . 1 . 1 65 65 ALA HB1 H 1 1.485 0.020 . 1 . . . . . 714 ALA MB . 51126 1 563 . 1 . 1 65 65 ALA HB2 H 1 1.485 0.020 . 1 . . . . . 714 ALA MB . 51126 1 564 . 1 . 1 65 65 ALA HB3 H 1 1.485 0.020 . 1 . . . . . 714 ALA MB . 51126 1 565 . 1 . 1 65 65 ALA C C 13 177.101 0.300 . 1 . . . . . 714 ALA C . 51126 1 566 . 1 . 1 65 65 ALA CA C 13 52.298 0.300 . 1 . . . . . 714 ALA CA . 51126 1 567 . 1 . 1 65 65 ALA CB C 13 19.785 0.300 . 1 . . . . . 714 ALA CB . 51126 1 568 . 1 . 1 65 65 ALA N N 15 118.672 0.300 . 1 . . . . . 714 ALA N . 51126 1 569 . 1 . 1 66 66 GLY H H 1 7.615 0.020 . 1 . . . . . 715 GLY H . 51126 1 570 . 1 . 1 66 66 GLY HA2 H 1 3.294 0.020 . 5 . . . . . 715 GLY HA2 . 51126 1 571 . 1 . 1 66 66 GLY C C 13 174.921 0.300 . 1 . . . . . 715 GLY C . 51126 1 572 . 1 . 1 66 66 GLY CA C 13 44.476 0.300 . 1 . . . . . 715 GLY CA . 51126 1 573 . 1 . 1 66 66 GLY N N 15 103.085 0.300 . 1 . . . . . 715 GLY N . 51126 1 574 . 1 . 1 67 67 LEU H H 1 7.794 0.020 . 1 . . . . . 716 LEU H . 51126 1 575 . 1 . 1 67 67 LEU HA H 1 4.131 0.020 . 1 . . . . . 716 LEU HA . 51126 1 576 . 1 . 1 67 67 LEU HB2 H 1 1.431 0.020 . 2 . . . . . 716 LEU HB2 . 51126 1 577 . 1 . 1 67 67 LEU HB3 H 1 1.070 0.020 . 2 . . . . . 716 LEU HB3 . 51126 1 578 . 1 . 1 67 67 LEU HD11 H 1 0.536 0.020 . 2 . . . . . 716 LEU MD1 . 51126 1 579 . 1 . 1 67 67 LEU HD12 H 1 0.536 0.020 . 2 . . . . . 716 LEU MD1 . 51126 1 580 . 1 . 1 67 67 LEU HD13 H 1 0.536 0.020 . 2 . . . . . 716 LEU MD1 . 51126 1 581 . 1 . 1 67 67 LEU HD21 H 1 0.602 0.020 . 2 . . . . . 716 LEU MD2 . 51126 1 582 . 1 . 1 67 67 LEU HD22 H 1 0.602 0.020 . 2 . . . . . 716 LEU MD2 . 51126 1 583 . 1 . 1 67 67 LEU HD23 H 1 0.602 0.020 . 2 . . . . . 716 LEU MD2 . 51126 1 584 . 1 . 1 67 67 LEU C C 13 175.749 0.300 . 1 . . . . . 716 LEU C . 51126 1 585 . 1 . 1 67 67 LEU CA C 13 54.957 0.300 . 1 . . . . . 716 LEU CA . 51126 1 586 . 1 . 1 67 67 LEU CB C 13 40.393 0.300 . 1 . . . . . 716 LEU CB . 51126 1 587 . 1 . 1 67 67 LEU CD1 C 13 25.394 0.300 . 2 . . . . . 716 LEU CD1 . 51126 1 588 . 1 . 1 67 67 LEU CD2 C 13 23.738 0.300 . 2 . . . . . 716 LEU CD2 . 51126 1 589 . 1 . 1 67 67 LEU N N 15 121.255 0.300 . 1 . . . . . 716 LEU N . 51126 1 590 . 1 . 1 68 68 ARG H H 1 8.733 0.020 . 1 . . . . . 717 ARG H . 51126 1 591 . 1 . 1 68 68 ARG HA H 1 4.650 0.020 . 1 . . . . . 717 ARG HA . 51126 1 592 . 1 . 1 68 68 ARG C C 13 174.687 0.300 . 1 . . . . . 717 ARG C . 51126 1 593 . 1 . 1 68 68 ARG CA C 13 52.520 0.300 . 1 . . . . . 717 ARG CA . 51126 1 594 . 1 . 1 68 68 ARG CB C 13 34.989 0.300 . 1 . . . . . 717 ARG CB . 51126 1 595 . 1 . 1 68 68 ARG N N 15 121.164 0.300 . 1 . . . . . 717 ARG N . 51126 1 596 . 1 . 1 69 69 MET HA H 1 3.692 0.020 . 1 . . . . . 718 MET HA . 51126 1 597 . 1 . 1 69 69 MET HB2 H 1 2.019 0.020 . 2 . . . . . 718 MET HB2 . 51126 1 598 . 1 . 1 69 69 MET HB3 H 1 2.131 0.020 . 2 . . . . . 718 MET HB3 . 51126 1 599 . 1 . 1 69 69 MET HG2 H 1 2.681 0.020 . 2 . . . . . 718 MET HG2 . 51126 1 600 . 1 . 1 69 69 MET HG3 H 1 2.487 0.020 . 2 . . . . . 718 MET HG3 . 51126 1 601 . 1 . 1 69 69 MET C C 13 176.842 0.300 . 1 . . . . . 718 MET C . 51126 1 602 . 1 . 1 69 69 MET CA C 13 57.782 0.300 . 1 . . . . . 718 MET CA . 51126 1 603 . 1 . 1 69 69 MET CB C 13 32.688 0.300 . 1 . . . . . 718 MET CB . 51126 1 604 . 1 . 1 69 69 MET CG C 13 31.228 0.300 . 1 . . . . . 718 MET CG . 51126 1 605 . 1 . 1 70 70 GLY H H 1 9.623 0.020 . 1 . . . . . 719 GLY H . 51126 1 606 . 1 . 1 70 70 GLY HA2 H 1 4.326 0.020 . 2 . . . . . 719 GLY HA2 . 51126 1 607 . 1 . 1 70 70 GLY HA3 H 1 4.239 0.020 . 5 . . . . . 719 GLY HA3 . 51126 1 608 . 1 . 1 70 70 GLY C C 13 174.121 0.300 . 1 . . . . . 719 GLY C . 51126 1 609 . 1 . 1 70 70 GLY CA C 13 44.490 0.300 . 1 . . . . . 719 GLY CA . 51126 1 610 . 1 . 1 70 70 GLY N N 15 115.192 0.300 . 1 . . . . . 719 GLY N . 51126 1 611 . 1 . 1 71 71 ASP H H 1 7.700 0.020 . 1 . . . . . 720 ASP H . 51126 1 612 . 1 . 1 71 71 ASP HA H 1 4.635 0.020 . 1 . . . . . 720 ASP HA . 51126 1 613 . 1 . 1 71 71 ASP HB2 H 1 2.567 0.020 . 2 . . . . . 720 ASP HB2 . 51126 1 614 . 1 . 1 71 71 ASP HB3 H 1 2.141 0.020 . 2 . . . . . 720 ASP HB3 . 51126 1 615 . 1 . 1 71 71 ASP C C 13 175.875 0.300 . 1 . . . . . 720 ASP C . 51126 1 616 . 1 . 1 71 71 ASP CA C 13 55.704 0.300 . 1 . . . . . 720 ASP CA . 51126 1 617 . 1 . 1 71 71 ASP CB C 13 40.401 0.300 . 1 . . . . . 720 ASP CB . 51126 1 618 . 1 . 1 71 71 ASP N N 15 122.649 0.300 . 1 . . . . . 720 ASP N . 51126 1 619 . 1 . 1 72 72 PHE H H 1 9.352 0.020 . 1 . . . . . 721 PHE H . 51126 1 620 . 1 . 1 72 72 PHE HA H 1 4.686 0.020 . 1 . . . . . 721 PHE HA . 51126 1 621 . 1 . 1 72 72 PHE HB2 H 1 3.097 0.020 . 2 . . . . . 721 PHE HB2 . 51126 1 622 . 1 . 1 72 72 PHE HB3 H 1 2.771 0.020 . 2 . . . . . 721 PHE HB3 . 51126 1 623 . 1 . 1 72 72 PHE HD1 H 1 7.345 0.020 . 1 . . . . . 721 PHE HD1 . 51126 1 624 . 1 . 1 72 72 PHE HD2 H 1 7.345 0.020 . 1 . . . . . 721 PHE HD2 . 51126 1 625 . 1 . 1 72 72 PHE HE1 H 1 7.186 0.020 . 1 . . . . . 721 PHE HE1 . 51126 1 626 . 1 . 1 72 72 PHE HE2 H 1 7.186 0.020 . 1 . . . . . 721 PHE HE2 . 51126 1 627 . 1 . 1 72 72 PHE C C 13 176.031 0.300 . 1 . . . . . 721 PHE C . 51126 1 628 . 1 . 1 72 72 PHE CA C 13 58.142 0.300 . 1 . . . . . 721 PHE CA . 51126 1 629 . 1 . 1 72 72 PHE CB C 13 41.345 0.300 . 1 . . . . . 721 PHE CB . 51126 1 630 . 1 . 1 72 72 PHE N N 15 120.697 0.300 . 1 . . . . . 721 PHE N . 51126 1 631 . 1 . 1 73 73 LEU H H 1 8.419 0.020 . 1 . . . . . 722 LEU H . 51126 1 632 . 1 . 1 73 73 LEU HA H 1 4.251 0.020 . 1 . . . . . 722 LEU HA . 51126 1 633 . 1 . 1 73 73 LEU HB2 H 1 1.540 0.020 . 2 . . . . . 722 LEU HB2 . 51126 1 634 . 1 . 1 73 73 LEU HB3 H 1 1.021 0.020 . 2 . . . . . 722 LEU HB3 . 51126 1 635 . 1 . 1 73 73 LEU HD11 H 1 0.598 0.020 . 2 . . . . . 722 LEU MD1 . 51126 1 636 . 1 . 1 73 73 LEU HD12 H 1 0.598 0.020 . 2 . . . . . 722 LEU MD1 . 51126 1 637 . 1 . 1 73 73 LEU HD13 H 1 0.598 0.020 . 2 . . . . . 722 LEU MD1 . 51126 1 638 . 1 . 1 73 73 LEU HD21 H 1 0.548 0.020 . 2 . . . . . 722 LEU MD2 . 51126 1 639 . 1 . 1 73 73 LEU HD22 H 1 0.548 0.020 . 2 . . . . . 722 LEU MD2 . 51126 1 640 . 1 . 1 73 73 LEU HD23 H 1 0.548 0.020 . 2 . . . . . 722 LEU MD2 . 51126 1 641 . 1 . 1 73 73 LEU C C 13 173.530 0.300 . 1 . . . . . 722 LEU C . 51126 1 642 . 1 . 1 73 73 LEU CA C 13 55.711 0.300 . 1 . . . . . 722 LEU CA . 51126 1 643 . 1 . 1 73 73 LEU CB C 13 43.465 0.300 . 1 . . . . . 722 LEU CB . 51126 1 644 . 1 . 1 73 73 LEU CD1 C 13 24.155 0.300 . 2 . . . . . 722 LEU CD1 . 51126 1 645 . 1 . 1 73 73 LEU CD2 C 13 26.339 0.300 . 2 . . . . . 722 LEU CD2 . 51126 1 646 . 1 . 1 73 73 LEU N N 15 122.983 0.300 . 1 . . . . . 722 LEU N . 51126 1 647 . 1 . 1 74 74 ILE H H 1 8.682 0.020 . 1 . . . . . 723 ILE H . 51126 1 648 . 1 . 1 74 74 ILE HA H 1 4.384 0.020 . 1 . . . . . 723 ILE HA . 51126 1 649 . 1 . 1 74 74 ILE HB H 1 1.746 0.020 . 1 . . . . . 723 ILE HB . 51126 1 650 . 1 . 1 74 74 ILE HG21 H 1 0.901 0.020 . 1 . . . . . 723 ILE HG2 . 51126 1 651 . 1 . 1 74 74 ILE HG22 H 1 0.901 0.020 . 1 . . . . . 723 ILE HG2 . 51126 1 652 . 1 . 1 74 74 ILE HG23 H 1 0.901 0.020 . 1 . . . . . 723 ILE HG2 . 51126 1 653 . 1 . 1 74 74 ILE HD11 H 1 0.617 0.020 . 1 . . . . . 723 ILE HD1 . 51126 1 654 . 1 . 1 74 74 ILE HD12 H 1 0.617 0.020 . 1 . . . . . 723 ILE HD1 . 51126 1 655 . 1 . 1 74 74 ILE HD13 H 1 0.617 0.020 . 1 . . . . . 723 ILE HD1 . 51126 1 656 . 1 . 1 74 74 ILE C C 13 176.876 0.300 . 1 . . . . . 723 ILE C . 51126 1 657 . 1 . 1 74 74 ILE CA C 13 60.185 0.300 . 1 . . . . . 723 ILE CA . 51126 1 658 . 1 . 1 74 74 ILE CB C 13 37.836 0.300 . 1 . . . . . 723 ILE CB . 51126 1 659 . 1 . 1 74 74 ILE CG1 C 13 26.953 0.300 . 1 . . . . . 723 ILE CG1 . 51126 1 660 . 1 . 1 74 74 ILE CG2 C 13 17.594 0.300 . 1 . . . . . 723 ILE CG2 . 51126 1 661 . 1 . 1 74 74 ILE CD1 C 13 9.984 0.300 . 1 . . . . . 723 ILE CD1 . 51126 1 662 . 1 . 1 74 74 ILE N N 15 121.801 0.300 . 1 . . . . . 723 ILE N . 51126 1 663 . 1 . 1 75 75 GLU H H 1 7.857 0.020 . 1 . . . . . 724 GLU H . 51126 1 664 . 1 . 1 75 75 GLU HA H 1 5.344 0.020 . 1 . . . . . 724 GLU HA . 51126 1 665 . 1 . 1 75 75 GLU HB2 H 1 1.677 0.020 . 1 . . . . . 724 GLU HB2 . 51126 1 666 . 1 . 1 75 75 GLU HB3 H 1 1.677 0.020 . 1 . . . . . 724 GLU HB3 . 51126 1 667 . 1 . 1 75 75 GLU HG2 H 1 1.942 0.020 . 1 . . . . . 724 GLU HG2 . 51126 1 668 . 1 . 1 75 75 GLU HG3 H 1 1.942 0.020 . 1 . . . . . 724 GLU HG3 . 51126 1 669 . 1 . 1 75 75 GLU C C 13 175.337 0.300 . 1 . . . . . 724 GLU C . 51126 1 670 . 1 . 1 75 75 GLU CA C 13 54.994 0.300 . 1 . . . . . 724 GLU CA . 51126 1 671 . 1 . 1 75 75 GLU CB C 13 35.546 0.300 . 1 . . . . . 724 GLU CB . 51126 1 672 . 1 . 1 75 75 GLU CG C 13 36.315 0.300 . 1 . . . . . 724 GLU CG . 51126 1 673 . 1 . 1 75 75 GLU N N 15 117.107 0.300 . 1 . . . . . 724 GLU N . 51126 1 674 . 1 . 1 76 76 VAL H H 1 8.544 0.020 . 1 . . . . . 725 VAL H . 51126 1 675 . 1 . 1 76 76 VAL HA H 1 4.455 0.020 . 1 . . . . . 725 VAL HA . 51126 1 676 . 1 . 1 76 76 VAL HB H 1 1.877 0.020 . 1 . . . . . 725 VAL HB . 51126 1 677 . 1 . 1 76 76 VAL HG11 H 1 0.854 0.020 . 2 . . . . . 725 VAL MG1 . 51126 1 678 . 1 . 1 76 76 VAL HG12 H 1 0.854 0.020 . 2 . . . . . 725 VAL MG1 . 51126 1 679 . 1 . 1 76 76 VAL HG13 H 1 0.854 0.020 . 2 . . . . . 725 VAL MG1 . 51126 1 680 . 1 . 1 76 76 VAL HG21 H 1 0.758 0.020 . 2 . . . . . 725 VAL MG2 . 51126 1 681 . 1 . 1 76 76 VAL HG22 H 1 0.758 0.020 . 2 . . . . . 725 VAL MG2 . 51126 1 682 . 1 . 1 76 76 VAL HG23 H 1 0.758 0.020 . 2 . . . . . 725 VAL MG2 . 51126 1 683 . 1 . 1 76 76 VAL C C 13 175.228 0.300 . 1 . . . . . 725 VAL C . 51126 1 684 . 1 . 1 76 76 VAL CA C 13 61.090 0.300 . 1 . . . . . 725 VAL CA . 51126 1 685 . 1 . 1 76 76 VAL CB C 13 34.750 0.300 . 1 . . . . . 725 VAL CB . 51126 1 686 . 1 . 1 76 76 VAL CG1 C 13 22.610 0.300 . 2 . . . . . 725 VAL CG1 . 51126 1 687 . 1 . 1 76 76 VAL CG2 C 13 21.557 0.300 . 2 . . . . . 725 VAL CG2 . 51126 1 688 . 1 . 1 76 76 VAL N N 15 120.114 0.300 . 1 . . . . . 725 VAL N . 51126 1 689 . 1 . 1 77 77 ASN H H 1 10.007 0.020 . 1 . . . . . 726 ASN H . 51126 1 690 . 1 . 1 77 77 ASN HA H 1 4.477 0.020 . 1 . . . . . 726 ASN HA . 51126 1 691 . 1 . 1 77 77 ASN HB2 H 1 2.803 0.020 . 2 . . . . . 726 ASN HB2 . 51126 1 692 . 1 . 1 77 77 ASN HB3 H 1 3.050 0.020 . 2 . . . . . 726 ASN HB3 . 51126 1 693 . 1 . 1 77 77 ASN HD21 H 1 7.701 0.020 . 1 . . . . . 726 ASN HD21 . 51126 1 694 . 1 . 1 77 77 ASN HD22 H 1 7.655 0.020 . 1 . . . . . 726 ASN HD22 . 51126 1 695 . 1 . 1 77 77 ASN C C 13 175.282 0.300 . 1 . . . . . 726 ASN C . 51126 1 696 . 1 . 1 77 77 ASN CA C 13 54.212 0.300 . 1 . . . . . 726 ASN CA . 51126 1 697 . 1 . 1 77 77 ASN CB C 13 37.132 0.300 . 1 . . . . . 726 ASN CB . 51126 1 698 . 1 . 1 77 77 ASN N N 15 127.265 0.300 . 1 . . . . . 726 ASN N . 51126 1 699 . 1 . 1 77 77 ASN ND2 N 15 114.757 0.300 . 1 . . . . . 726 ASN ND2 . 51126 1 700 . 1 . 1 78 78 GLY H H 1 9.014 0.020 . 1 . . . . . 727 GLY H . 51126 1 701 . 1 . 1 78 78 GLY HA2 H 1 4.085 0.020 . 2 . . . . . 727 GLY HA2 . 51126 1 702 . 1 . 1 78 78 GLY HA3 H 1 3.593 0.020 . 2 . . . . . 727 GLY HA3 . 51126 1 703 . 1 . 1 78 78 GLY C C 13 173.594 0.300 . 1 . . . . . 727 GLY C . 51126 1 704 . 1 . 1 78 78 GLY CA C 13 45.256 0.300 . 1 . . . . . 727 GLY CA . 51126 1 705 . 1 . 1 78 78 GLY N N 15 103.613 0.300 . 1 . . . . . 727 GLY N . 51126 1 706 . 1 . 1 79 79 GLN H H 1 8.028 0.020 . 1 . . . . . 728 GLN H . 51126 1 707 . 1 . 1 79 79 GLN HA H 1 4.526 0.020 . 1 . . . . . 728 GLN HA . 51126 1 708 . 1 . 1 79 79 GLN HB2 H 1 2.008 0.020 . 2 . . . . . 728 GLN HB2 . 51126 1 709 . 1 . 1 79 79 GLN HB3 H 1 2.115 0.020 . 2 . . . . . 728 GLN HB3 . 51126 1 710 . 1 . 1 79 79 GLN HG2 H 1 2.323 0.020 . 2 . . . . . 728 GLN HG2 . 51126 1 711 . 1 . 1 79 79 GLN HG3 H 1 2.265 0.020 . 2 . . . . . 728 GLN HG3 . 51126 1 712 . 1 . 1 79 79 GLN HE21 H 1 7.468 0.020 . 1 . . . . . 728 GLN HE21 . 51126 1 713 . 1 . 1 79 79 GLN HE22 H 1 6.914 0.020 . 1 . . . . . 728 GLN HE22 . 51126 1 714 . 1 . 1 79 79 GLN C C 13 174.618 0.300 . 1 . . . . . 728 GLN C . 51126 1 715 . 1 . 1 79 79 GLN CA C 13 53.821 0.300 . 1 . . . . . 728 GLN CA . 51126 1 716 . 1 . 1 79 79 GLN CB C 13 30.093 0.300 . 1 . . . . . 728 GLN CB . 51126 1 717 . 1 . 1 79 79 GLN CG C 13 33.724 0.300 . 1 . . . . . 728 GLN CG . 51126 1 718 . 1 . 1 79 79 GLN N N 15 119.828 0.300 . 1 . . . . . 728 GLN N . 51126 1 719 . 1 . 1 79 79 GLN NE2 N 15 111.966 0.300 . 1 . . . . . 728 GLN NE2 . 51126 1 720 . 1 . 1 80 80 ASN H H 1 8.971 0.020 . 1 . . . . . 729 ASN H . 51126 1 721 . 1 . 1 80 80 ASN HB2 H 1 2.856 0.020 . 2 . . . . . 729 ASN HB2 . 51126 1 722 . 1 . 1 80 80 ASN HB3 H 1 2.805 0.020 . 2 . . . . . 729 ASN HB3 . 51126 1 723 . 1 . 1 80 80 ASN HD21 H 1 6.748 0.020 . 1 . . . . . 729 ASN HD21 . 51126 1 724 . 1 . 1 80 80 ASN HD22 H 1 8.202 0.020 . 1 . . . . . 729 ASN HD22 . 51126 1 725 . 1 . 1 80 80 ASN C C 13 176.643 0.300 . 1 . . . . . 729 ASN C . 51126 1 726 . 1 . 1 80 80 ASN CA C 13 55.002 0.300 . 1 . . . . . 729 ASN CA . 51126 1 727 . 1 . 1 80 80 ASN CB C 13 39.248 0.300 . 1 . . . . . 729 ASN CB . 51126 1 728 . 1 . 1 80 80 ASN N N 15 124.799 0.300 . 1 . . . . . 729 ASN N . 51126 1 729 . 1 . 1 80 80 ASN ND2 N 15 114.358 0.300 . 1 . . . . . 729 ASN ND2 . 51126 1 730 . 1 . 1 81 81 VAL H H 1 8.648 0.020 . 1 . . . . . 730 VAL H . 51126 1 731 . 1 . 1 81 81 VAL HA H 1 4.770 0.020 . 1 . . . . . 730 VAL HA . 51126 1 732 . 1 . 1 81 81 VAL HB H 1 2.614 0.020 . 1 . . . . . 730 VAL HB . 51126 1 733 . 1 . 1 81 81 VAL HG11 H 1 0.826 0.020 . 2 . . . . . 730 VAL MG1 . 51126 1 734 . 1 . 1 81 81 VAL HG12 H 1 0.826 0.020 . 2 . . . . . 730 VAL MG1 . 51126 1 735 . 1 . 1 81 81 VAL HG13 H 1 0.826 0.020 . 2 . . . . . 730 VAL MG1 . 51126 1 736 . 1 . 1 81 81 VAL HG21 H 1 0.444 0.020 . 2 . . . . . 730 VAL MG2 . 51126 1 737 . 1 . 1 81 81 VAL HG22 H 1 0.444 0.020 . 2 . . . . . 730 VAL MG2 . 51126 1 738 . 1 . 1 81 81 VAL HG23 H 1 0.444 0.020 . 2 . . . . . 730 VAL MG2 . 51126 1 739 . 1 . 1 81 81 VAL C C 13 176.447 0.300 . 1 . . . . . 730 VAL C . 51126 1 740 . 1 . 1 81 81 VAL CA C 13 59.698 0.300 . 1 . . . . . 730 VAL CA . 51126 1 741 . 1 . 1 81 81 VAL CB C 13 31.462 0.300 . 1 . . . . . 730 VAL CB . 51126 1 742 . 1 . 1 81 81 VAL CG1 C 13 21.833 0.300 . 2 . . . . . 730 VAL CG1 . 51126 1 743 . 1 . 1 81 81 VAL CG2 C 13 18.860 0.300 . 2 . . . . . 730 VAL CG2 . 51126 1 744 . 1 . 1 81 81 VAL N N 15 118.720 0.300 . 1 . . . . . 730 VAL N . 51126 1 745 . 1 . 1 82 82 VAL H H 1 8.247 0.020 . 1 . . . . . 731 VAL H . 51126 1 746 . 1 . 1 82 82 VAL HA H 1 3.899 0.020 . 1 . . . . . 731 VAL HA . 51126 1 747 . 1 . 1 82 82 VAL HB H 1 2.364 0.020 . 1 . . . . . 731 VAL HB . 51126 1 748 . 1 . 1 82 82 VAL HG11 H 1 1.441 0.020 . 2 . . . . . 731 VAL MG1 . 51126 1 749 . 1 . 1 82 82 VAL HG12 H 1 1.441 0.020 . 2 . . . . . 731 VAL MG1 . 51126 1 750 . 1 . 1 82 82 VAL HG13 H 1 1.441 0.020 . 2 . . . . . 731 VAL MG1 . 51126 1 751 . 1 . 1 82 82 VAL HG21 H 1 1.362 0.020 . 2 . . . . . 731 VAL MG2 . 51126 1 752 . 1 . 1 82 82 VAL HG22 H 1 1.362 0.020 . 2 . . . . . 731 VAL MG2 . 51126 1 753 . 1 . 1 82 82 VAL HG23 H 1 1.362 0.020 . 2 . . . . . 731 VAL MG2 . 51126 1 754 . 1 . 1 82 82 VAL C C 13 175.510 0.300 . 1 . . . . . 731 VAL C . 51126 1 755 . 1 . 1 82 82 VAL CA C 13 67.649 0.300 . 1 . . . . . 731 VAL CA . 51126 1 756 . 1 . 1 82 82 VAL CB C 13 32.097 0.300 . 1 . . . . . 731 VAL CB . 51126 1 757 . 1 . 1 82 82 VAL CG1 C 13 24.065 0.300 . 2 . . . . . 731 VAL CG1 . 51126 1 758 . 1 . 1 82 82 VAL CG2 C 13 21.524 0.300 . 2 . . . . . 731 VAL CG2 . 51126 1 759 . 1 . 1 82 82 VAL N N 15 124.966 0.300 . 1 . . . . . 731 VAL N . 51126 1 760 . 1 . 1 83 83 LYS H H 1 8.446 0.020 . 1 . . . . . 732 LYS H . 51126 1 761 . 1 . 1 83 83 LYS HA H 1 4.641 0.020 . 1 . . . . . 732 LYS HA . 51126 1 762 . 1 . 1 83 83 LYS HB2 H 1 1.641 0.020 . 2 . . . . . 732 LYS HB2 . 51126 1 763 . 1 . 1 83 83 LYS HB3 H 1 2.137 0.020 . 2 . . . . . 732 LYS HB3 . 51126 1 764 . 1 . 1 83 83 LYS HG2 H 1 1.564 0.020 . 1 . . . . . 732 LYS HG2 . 51126 1 765 . 1 . 1 83 83 LYS HG3 H 1 1.564 0.020 . 1 . . . . . 732 LYS HG3 . 51126 1 766 . 1 . 1 83 83 LYS HD2 H 1 1.837 0.020 . 1 . . . . . 732 LYS HD2 . 51126 1 767 . 1 . 1 83 83 LYS HD3 H 1 1.837 0.020 . 1 . . . . . 732 LYS HD3 . 51126 1 768 . 1 . 1 83 83 LYS C C 13 175.158 0.300 . 1 . . . . . 732 LYS C . 51126 1 769 . 1 . 1 83 83 LYS CA C 13 54.375 0.300 . 1 . . . . . 732 LYS CA . 51126 1 770 . 1 . 1 83 83 LYS CB C 13 32.651 0.300 . 1 . . . . . 732 LYS CB . 51126 1 771 . 1 . 1 83 83 LYS CG C 13 26.099 0.300 . 1 . . . . . 732 LYS CG . 51126 1 772 . 1 . 1 83 83 LYS CD C 13 29.836 0.300 . 1 . . . . . 732 LYS CD . 51126 1 773 . 1 . 1 83 83 LYS CE C 13 42.130 0.300 . 1 . . . . . 732 LYS CE . 51126 1 774 . 1 . 1 83 83 LYS N N 15 113.196 0.300 . 1 . . . . . 732 LYS N . 51126 1 775 . 1 . 1 84 84 VAL H H 1 6.943 0.020 . 1 . . . . . 733 VAL H . 51126 1 776 . 1 . 1 84 84 VAL HA H 1 4.020 0.020 . 1 . . . . . 733 VAL HA . 51126 1 777 . 1 . 1 84 84 VAL HB H 1 1.700 0.020 . 1 . . . . . 733 VAL HB . 51126 1 778 . 1 . 1 84 84 VAL HG11 H 1 1.138 0.020 . 2 . . . . . 733 VAL MG1 . 51126 1 779 . 1 . 1 84 84 VAL HG12 H 1 1.138 0.020 . 2 . . . . . 733 VAL MG1 . 51126 1 780 . 1 . 1 84 84 VAL HG13 H 1 1.138 0.020 . 2 . . . . . 733 VAL MG1 . 51126 1 781 . 1 . 1 84 84 VAL HG21 H 1 1.034 0.020 . 2 . . . . . 733 VAL MG2 . 51126 1 782 . 1 . 1 84 84 VAL HG22 H 1 1.034 0.020 . 2 . . . . . 733 VAL MG2 . 51126 1 783 . 1 . 1 84 84 VAL HG23 H 1 1.034 0.020 . 2 . . . . . 733 VAL MG2 . 51126 1 784 . 1 . 1 84 84 VAL C C 13 174.311 0.300 . 1 . . . . . 733 VAL C . 51126 1 785 . 1 . 1 84 84 VAL CA C 13 62.234 0.300 . 1 . . . . . 733 VAL CA . 51126 1 786 . 1 . 1 84 84 VAL CB C 13 32.996 0.300 . 1 . . . . . 733 VAL CB . 51126 1 787 . 1 . 1 84 84 VAL CG1 C 13 22.926 0.300 . 2 . . . . . 733 VAL CG1 . 51126 1 788 . 1 . 1 84 84 VAL CG2 C 13 23.466 0.300 . 2 . . . . . 733 VAL CG2 . 51126 1 789 . 1 . 1 84 84 VAL N N 15 121.172 0.300 . 1 . . . . . 733 VAL N . 51126 1 790 . 1 . 1 85 85 GLY H H 1 8.290 0.020 . 1 . . . . . 734 GLY H . 51126 1 791 . 1 . 1 85 85 GLY HA2 H 1 3.693 0.020 . 1 . . . . . 734 GLY HA2 . 51126 1 792 . 1 . 1 85 85 GLY HA3 H 1 3.693 0.020 . 1 . . . . . 734 GLY HA3 . 51126 1 793 . 1 . 1 85 85 GLY C C 13 173.801 0.300 . 1 . . . . . 734 GLY C . 51126 1 794 . 1 . 1 85 85 GLY CA C 13 45.180 0.300 . 1 . . . . . 734 GLY CA . 51126 1 795 . 1 . 1 85 85 GLY N N 15 110.275 0.300 . 1 . . . . . 734 GLY N . 51126 1 796 . 1 . 1 86 86 HIS H H 1 8.173 0.020 . 1 . . . . . 735 HIS H . 51126 1 797 . 1 . 1 86 86 HIS HA H 1 3.680 0.020 . 1 . . . . . 735 HIS HA . 51126 1 798 . 1 . 1 86 86 HIS HB2 H 1 3.002 0.020 . 2 . . . . . 735 HIS HB2 . 51126 1 799 . 1 . 1 86 86 HIS C C 13 176.198 0.300 . 1 . . . . . 735 HIS C . 51126 1 800 . 1 . 1 86 86 HIS CA C 13 61.794 0.300 . 1 . . . . . 735 HIS CA . 51126 1 801 . 1 . 1 86 86 HIS CB C 13 31.115 0.300 . 1 . . . . . 735 HIS CB . 51126 1 802 . 1 . 1 86 86 HIS N N 15 120.151 0.300 . 1 . . . . . 735 HIS N . 51126 1 803 . 1 . 1 87 87 ARG H H 1 8.558 0.020 . 1 . . . . . 736 ARG H . 51126 1 804 . 1 . 1 87 87 ARG HA H 1 3.785 0.020 . 1 . . . . . 736 ARG HA . 51126 1 805 . 1 . 1 87 87 ARG HB2 H 1 1.737 0.020 . 2 . . . . . 736 ARG HB2 . 51126 1 806 . 1 . 1 87 87 ARG HB3 H 1 1.922 0.020 . 2 . . . . . 736 ARG HB3 . 51126 1 807 . 1 . 1 87 87 ARG HG2 H 1 1.652 0.020 . 2 . . . . . 736 ARG HG2 . 51126 1 808 . 1 . 1 87 87 ARG HG3 H 1 1.577 0.020 . 2 . . . . . 736 ARG HG3 . 51126 1 809 . 1 . 1 87 87 ARG HD2 H 1 3.219 0.020 . 1 . . . . . 736 ARG HD2 . 51126 1 810 . 1 . 1 87 87 ARG HD3 H 1 3.219 0.020 . 1 . . . . . 736 ARG HD3 . 51126 1 811 . 1 . 1 87 87 ARG C C 13 178.656 0.300 . 1 . . . . . 736 ARG C . 51126 1 812 . 1 . 1 87 87 ARG CA C 13 59.122 0.300 . 1 . . . . . 736 ARG CA . 51126 1 813 . 1 . 1 87 87 ARG CB C 13 29.557 0.300 . 1 . . . . . 736 ARG CB . 51126 1 814 . 1 . 1 87 87 ARG CG C 13 27.060 0.300 . 1 . . . . . 736 ARG CG . 51126 1 815 . 1 . 1 87 87 ARG CD C 13 43.165 0.300 . 1 . . . . . 736 ARG CD . 51126 1 816 . 1 . 1 87 87 ARG N N 15 117.140 0.300 . 1 . . . . . 736 ARG N . 51126 1 817 . 1 . 1 88 88 GLN H H 1 7.800 0.020 . 1 . . . . . 737 GLN H . 51126 1 818 . 1 . 1 88 88 GLN HA H 1 4.083 0.020 . 1 . . . . . 737 GLN HA . 51126 1 819 . 1 . 1 88 88 GLN HB2 H 1 2.208 0.020 . 1 . . . . . 737 GLN HB2 . 51126 1 820 . 1 . 1 88 88 GLN HB3 H 1 2.208 0.020 . 1 . . . . . 737 GLN HB3 . 51126 1 821 . 1 . 1 88 88 GLN HG2 H 1 2.383 0.020 . 2 . . . . . 737 GLN HG2 . 51126 1 822 . 1 . 1 88 88 GLN HG3 H 1 2.499 0.020 . 2 . . . . . 737 GLN HG3 . 51126 1 823 . 1 . 1 88 88 GLN C C 13 178.811 0.300 . 1 . . . . . 737 GLN C . 51126 1 824 . 1 . 1 88 88 GLN CA C 13 59.256 0.300 . 1 . . . . . 737 GLN CA . 51126 1 825 . 1 . 1 88 88 GLN CB C 13 27.614 0.300 . 1 . . . . . 737 GLN CB . 51126 1 826 . 1 . 1 88 88 GLN CG C 13 34.438 0.300 . 1 . . . . . 737 GLN CG . 51126 1 827 . 1 . 1 88 88 GLN N N 15 117.453 0.300 . 1 . . . . . 737 GLN N . 51126 1 828 . 1 . 1 89 89 VAL H H 1 8.046 0.020 . 1 . . . . . 738 VAL H . 51126 1 829 . 1 . 1 89 89 VAL HA H 1 3.691 0.020 . 1 . . . . . 738 VAL HA . 51126 1 830 . 1 . 1 89 89 VAL HB H 1 1.903 0.020 . 1 . . . . . 738 VAL HB . 51126 1 831 . 1 . 1 89 89 VAL HG11 H 1 0.770 0.020 . 2 . . . . . 738 VAL MG1 . 51126 1 832 . 1 . 1 89 89 VAL HG12 H 1 0.770 0.020 . 2 . . . . . 738 VAL MG1 . 51126 1 833 . 1 . 1 89 89 VAL HG13 H 1 0.770 0.020 . 2 . . . . . 738 VAL MG1 . 51126 1 834 . 1 . 1 89 89 VAL HG21 H 1 0.955 0.020 . 2 . . . . . 738 VAL MG2 . 51126 1 835 . 1 . 1 89 89 VAL HG22 H 1 0.955 0.020 . 2 . . . . . 738 VAL MG2 . 51126 1 836 . 1 . 1 89 89 VAL HG23 H 1 0.955 0.020 . 2 . . . . . 738 VAL MG2 . 51126 1 837 . 1 . 1 89 89 VAL C C 13 177.815 0.300 . 1 . . . . . 738 VAL C . 51126 1 838 . 1 . 1 89 89 VAL CA C 13 67.273 0.300 . 1 . . . . . 738 VAL CA . 51126 1 839 . 1 . 1 89 89 VAL CB C 13 30.756 0.300 . 1 . . . . . 738 VAL CB . 51126 1 840 . 1 . 1 89 89 VAL CG1 C 13 22.996 0.300 . 2 . . . . . 738 VAL CG1 . 51126 1 841 . 1 . 1 89 89 VAL CG2 C 13 23.923 0.300 . 2 . . . . . 738 VAL CG2 . 51126 1 842 . 1 . 1 89 89 VAL N N 15 121.231 0.300 . 1 . . . . . 738 VAL N . 51126 1 843 . 1 . 1 90 90 VAL H H 1 8.369 0.020 . 1 . . . . . 739 VAL H . 51126 1 844 . 1 . 1 90 90 VAL HA H 1 3.435 0.020 . 1 . . . . . 739 VAL HA . 51126 1 845 . 1 . 1 90 90 VAL HB H 1 1.978 0.020 . 1 . . . . . 739 VAL HB . 51126 1 846 . 1 . 1 90 90 VAL HG11 H 1 0.696 0.020 . 2 . . . . . 739 VAL MG1 . 51126 1 847 . 1 . 1 90 90 VAL HG12 H 1 0.696 0.020 . 2 . . . . . 739 VAL MG1 . 51126 1 848 . 1 . 1 90 90 VAL HG13 H 1 0.696 0.020 . 2 . . . . . 739 VAL MG1 . 51126 1 849 . 1 . 1 90 90 VAL HG21 H 1 0.846 0.020 . 2 . . . . . 739 VAL MG2 . 51126 1 850 . 1 . 1 90 90 VAL HG22 H 1 0.846 0.020 . 2 . . . . . 739 VAL MG2 . 51126 1 851 . 1 . 1 90 90 VAL HG23 H 1 0.846 0.020 . 2 . . . . . 739 VAL MG2 . 51126 1 852 . 1 . 1 90 90 VAL C C 13 179.011 0.300 . 1 . . . . . 739 VAL C . 51126 1 853 . 1 . 1 90 90 VAL CA C 13 67.332 0.300 . 1 . . . . . 739 VAL CA . 51126 1 854 . 1 . 1 90 90 VAL CB C 13 31.148 0.300 . 1 . . . . . 739 VAL CB . 51126 1 855 . 1 . 1 90 90 VAL CG1 C 13 22.547 0.300 . 2 . . . . . 739 VAL CG1 . 51126 1 856 . 1 . 1 90 90 VAL CG2 C 13 21.118 0.300 . 2 . . . . . 739 VAL CG2 . 51126 1 857 . 1 . 1 90 90 VAL N N 15 119.610 0.300 . 1 . . . . . 739 VAL N . 51126 1 858 . 1 . 1 91 91 ASN H H 1 7.831 0.020 . 1 . . . . . 740 ASN H . 51126 1 859 . 1 . 1 91 91 ASN HA H 1 4.466 0.020 . 1 . . . . . 740 ASN HA . 51126 1 860 . 1 . 1 91 91 ASN HB2 H 1 2.834 0.020 . 2 . . . . . 740 ASN HB2 . 51126 1 861 . 1 . 1 91 91 ASN HB3 H 1 2.914 0.020 . 2 . . . . . 740 ASN HB3 . 51126 1 862 . 1 . 1 91 91 ASN HD21 H 1 7.639 0.020 . 1 . . . . . 740 ASN HD21 . 51126 1 863 . 1 . 1 91 91 ASN HD22 H 1 6.915 0.020 . 1 . . . . . 740 ASN HD22 . 51126 1 864 . 1 . 1 91 91 ASN C C 13 177.598 0.300 . 1 . . . . . 740 ASN C . 51126 1 865 . 1 . 1 91 91 ASN CA C 13 56.308 0.300 . 1 . . . . . 740 ASN CA . 51126 1 866 . 1 . 1 91 91 ASN CB C 13 37.898 0.300 . 1 . . . . . 740 ASN CB . 51126 1 867 . 1 . 1 91 91 ASN N N 15 118.568 0.300 . 1 . . . . . 740 ASN N . 51126 1 868 . 1 . 1 91 91 ASN ND2 N 15 112.209 0.300 . 1 . . . . . 740 ASN ND2 . 51126 1 869 . 1 . 1 92 92 MET H H 1 8.143 0.020 . 1 . . . . . 741 MET H . 51126 1 870 . 1 . 1 92 92 MET HA H 1 4.026 0.020 . 1 . . . . . 741 MET HA . 51126 1 871 . 1 . 1 92 92 MET HB2 H 1 2.051 0.020 . 1 . . . . . 741 MET HB2 . 51126 1 872 . 1 . 1 92 92 MET HB3 H 1 2.051 0.020 . 1 . . . . . 741 MET HB3 . 51126 1 873 . 1 . 1 92 92 MET C C 13 179.324 0.300 . 1 . . . . . 741 MET C . 51126 1 874 . 1 . 1 92 92 MET CA C 13 59.566 0.300 . 1 . . . . . 741 MET CA . 51126 1 875 . 1 . 1 92 92 MET CB C 13 33.854 0.300 . 1 . . . . . 741 MET CB . 51126 1 876 . 1 . 1 92 92 MET N N 15 120.799 0.300 . 1 . . . . . 741 MET N . 51126 1 877 . 1 . 1 93 93 ILE H H 1 8.174 0.020 . 1 . . . . . 742 ILE H . 51126 1 878 . 1 . 1 93 93 ILE HA H 1 3.567 0.020 . 1 . . . . . 742 ILE HA . 51126 1 879 . 1 . 1 93 93 ILE HB H 1 2.018 0.020 . 1 . . . . . 742 ILE HB . 51126 1 880 . 1 . 1 93 93 ILE HG12 H 1 1.891 0.020 . 2 . . . . . 742 ILE HG12 . 51126 1 881 . 1 . 1 93 93 ILE HG13 H 1 0.921 0.020 . 2 . . . . . 742 ILE HG13 . 51126 1 882 . 1 . 1 93 93 ILE HG21 H 1 0.991 0.020 . 1 . . . . . 742 ILE HG2 . 51126 1 883 . 1 . 1 93 93 ILE HG22 H 1 0.991 0.020 . 1 . . . . . 742 ILE HG2 . 51126 1 884 . 1 . 1 93 93 ILE HG23 H 1 0.991 0.020 . 1 . . . . . 742 ILE HG2 . 51126 1 885 . 1 . 1 93 93 ILE HD11 H 1 0.830 0.020 . 1 . . . . . 742 ILE HD1 . 51126 1 886 . 1 . 1 93 93 ILE HD12 H 1 0.830 0.020 . 1 . . . . . 742 ILE HD1 . 51126 1 887 . 1 . 1 93 93 ILE HD13 H 1 0.830 0.020 . 1 . . . . . 742 ILE HD1 . 51126 1 888 . 1 . 1 93 93 ILE C C 13 179.526 0.300 . 1 . . . . . 742 ILE C . 51126 1 889 . 1 . 1 93 93 ILE CA C 13 65.096 0.300 . 1 . . . . . 742 ILE CA . 51126 1 890 . 1 . 1 93 93 ILE CB C 13 38.291 0.300 . 1 . . . . . 742 ILE CB . 51126 1 891 . 1 . 1 93 93 ILE CG1 C 13 29.527 0.300 . 1 . . . . . 742 ILE CG1 . 51126 1 892 . 1 . 1 93 93 ILE CG2 C 13 16.938 0.300 . 1 . . . . . 742 ILE CG2 . 51126 1 893 . 1 . 1 93 93 ILE CD1 C 13 13.902 0.300 . 1 . . . . . 742 ILE CD1 . 51126 1 894 . 1 . 1 93 93 ILE N N 15 120.117 0.300 . 1 . . . . . 742 ILE N . 51126 1 895 . 1 . 1 94 94 ARG H H 1 8.272 0.020 . 1 . . . . . 743 ARG H . 51126 1 896 . 1 . 1 94 94 ARG HA H 1 4.186 0.020 . 1 . . . . . 743 ARG HA . 51126 1 897 . 1 . 1 94 94 ARG HB2 H 1 2.049 0.020 . 1 . . . . . 743 ARG HB2 . 51126 1 898 . 1 . 1 94 94 ARG HB3 H 1 2.049 0.020 . 1 . . . . . 743 ARG HB3 . 51126 1 899 . 1 . 1 94 94 ARG HG2 H 1 1.849 0.020 . 2 . . . . . 743 ARG HG2 . 51126 1 900 . 1 . 1 94 94 ARG HG3 H 1 1.695 0.020 . 2 . . . . . 743 ARG HG3 . 51126 1 901 . 1 . 1 94 94 ARG HD2 H 1 3.237 0.020 . 1 . . . . . 743 ARG HD2 . 51126 1 902 . 1 . 1 94 94 ARG HD3 H 1 3.237 0.020 . 1 . . . . . 743 ARG HD3 . 51126 1 903 . 1 . 1 94 94 ARG C C 13 179.306 0.300 . 1 . . . . . 743 ARG C . 51126 1 904 . 1 . 1 94 94 ARG CA C 13 59.320 0.300 . 1 . . . . . 743 ARG CA . 51126 1 905 . 1 . 1 94 94 ARG CB C 13 30.201 0.300 . 1 . . . . . 743 ARG CB . 51126 1 906 . 1 . 1 94 94 ARG CG C 13 27.575 0.300 . 1 . . . . . 743 ARG CG . 51126 1 907 . 1 . 1 94 94 ARG CD C 13 43.387 0.300 . 1 . . . . . 743 ARG CD . 51126 1 908 . 1 . 1 94 94 ARG N N 15 121.201 0.300 . 1 . . . . . 743 ARG N . 51126 1 909 . 1 . 1 95 95 GLN H H 1 8.137 0.020 . 1 . . . . . 744 GLN H . 51126 1 910 . 1 . 1 95 95 GLN HA H 1 4.132 0.020 . 1 . . . . . 744 GLN HA . 51126 1 911 . 1 . 1 95 95 GLN HB2 H 1 2.175 0.020 . 1 . . . . . 744 GLN HB2 . 51126 1 912 . 1 . 1 95 95 GLN HB3 H 1 2.175 0.020 . 1 . . . . . 744 GLN HB3 . 51126 1 913 . 1 . 1 95 95 GLN HG2 H 1 2.554 0.020 . 2 . . . . . 744 GLN HG2 . 51126 1 914 . 1 . 1 95 95 GLN HG3 H 1 2.495 0.020 . 2 . . . . . 744 GLN HG3 . 51126 1 915 . 1 . 1 95 95 GLN C C 13 177.432 0.300 . 1 . . . . . 744 GLN C . 51126 1 916 . 1 . 1 95 95 GLN CA C 13 57.753 0.300 . 1 . . . . . 744 GLN CA . 51126 1 917 . 1 . 1 95 95 GLN CB C 13 28.499 0.300 . 1 . . . . . 744 GLN CB . 51126 1 918 . 1 . 1 95 95 GLN CG C 13 34.020 0.300 . 1 . . . . . 744 GLN CG . 51126 1 919 . 1 . 1 95 95 GLN N N 15 117.292 0.300 . 1 . . . . . 744 GLN N . 51126 1 920 . 1 . 1 96 96 GLY H H 1 7.536 0.020 . 1 . . . . . 745 GLY H . 51126 1 921 . 1 . 1 96 96 GLY HA2 H 1 4.180 0.020 . 2 . . . . . 745 GLY HA2 . 51126 1 922 . 1 . 1 96 96 GLY HA3 H 1 4.032 0.020 . 2 . . . . . 745 GLY HA3 . 51126 1 923 . 1 . 1 96 96 GLY C C 13 174.729 0.300 . 1 . . . . . 745 GLY C . 51126 1 924 . 1 . 1 96 96 GLY CA C 13 45.544 0.300 . 1 . . . . . 745 GLY CA . 51126 1 925 . 1 . 1 96 96 GLY N N 15 104.941 0.300 . 1 . . . . . 745 GLY N . 51126 1 926 . 1 . 1 97 97 GLY H H 1 7.660 0.020 . 1 . . . . . 746 GLY H . 51126 1 927 . 1 . 1 97 97 GLY HA2 H 1 4.080 0.020 . 2 . . . . . 746 GLY HA2 . 51126 1 928 . 1 . 1 97 97 GLY HA3 H 1 3.789 0.020 . 2 . . . . . 746 GLY HA3 . 51126 1 929 . 1 . 1 97 97 GLY C C 13 174.974 0.300 . 1 . . . . . 746 GLY C . 51126 1 930 . 1 . 1 97 97 GLY CA C 13 46.484 0.300 . 1 . . . . . 746 GLY CA . 51126 1 931 . 1 . 1 97 97 GLY N N 15 107.429 0.300 . 1 . . . . . 746 GLY N . 51126 1 932 . 1 . 1 98 98 ASN H H 1 8.890 0.020 . 1 . . . . . 747 ASN H . 51126 1 933 . 1 . 1 98 98 ASN HA H 1 4.726 0.020 . 1 . . . . . 747 ASN HA . 51126 1 934 . 1 . 1 98 98 ASN HB2 H 1 2.703 0.020 . 2 . . . . . 747 ASN HB2 . 51126 1 935 . 1 . 1 98 98 ASN HB3 H 1 3.715 0.020 . 2 . . . . . 747 ASN HB3 . 51126 1 936 . 1 . 1 98 98 ASN HD21 H 1 7.516 0.020 . 1 . . . . . 747 ASN HD21 . 51126 1 937 . 1 . 1 98 98 ASN HD22 H 1 7.382 0.020 . 1 . . . . . 747 ASN HD22 . 51126 1 938 . 1 . 1 98 98 ASN C C 13 174.169 0.300 . 1 . . . . . 747 ASN C . 51126 1 939 . 1 . 1 98 98 ASN CA C 13 53.739 0.300 . 1 . . . . . 747 ASN CA . 51126 1 940 . 1 . 1 98 98 ASN CB C 13 38.737 0.300 . 1 . . . . . 747 ASN CB . 51126 1 941 . 1 . 1 98 98 ASN N N 15 122.508 0.300 . 1 . . . . . 747 ASN N . 51126 1 942 . 1 . 1 98 98 ASN ND2 N 15 113.793 0.300 . 1 . . . . . 747 ASN ND2 . 51126 1 943 . 1 . 1 99 99 THR H H 1 7.670 0.020 . 1 . . . . . 748 THR H . 51126 1 944 . 1 . 1 99 99 THR HA H 1 5.424 0.020 . 1 . . . . . 748 THR HA . 51126 1 945 . 1 . 1 99 99 THR HB H 1 3.987 0.020 . 1 . . . . . 748 THR HB . 51126 1 946 . 1 . 1 99 99 THR HG21 H 1 1.238 0.020 . 1 . . . . . 748 THR HG2 . 51126 1 947 . 1 . 1 99 99 THR HG22 H 1 1.238 0.020 . 1 . . . . . 748 THR HG2 . 51126 1 948 . 1 . 1 99 99 THR HG23 H 1 1.238 0.020 . 1 . . . . . 748 THR HG2 . 51126 1 949 . 1 . 1 99 99 THR C C 13 172.753 0.300 . 1 . . . . . 748 THR C . 51126 1 950 . 1 . 1 99 99 THR CA C 13 61.449 0.300 . 1 . . . . . 748 THR CA . 51126 1 951 . 1 . 1 99 99 THR CB C 13 71.242 0.300 . 1 . . . . . 748 THR CB . 51126 1 952 . 1 . 1 99 99 THR CG2 C 13 22.230 0.300 . 1 . . . . . 748 THR CG2 . 51126 1 953 . 1 . 1 99 99 THR N N 15 115.024 0.300 . 1 . . . . . 748 THR N . 51126 1 954 . 1 . 1 100 100 LEU H H 1 9.060 0.020 . 1 . . . . . 749 LEU H . 51126 1 955 . 1 . 1 100 100 LEU HA H 1 4.767 0.020 . 1 . . . . . 749 LEU HA . 51126 1 956 . 1 . 1 100 100 LEU HB2 H 1 0.978 0.020 . 1 . . . . . 749 LEU HB2 . 51126 1 957 . 1 . 1 100 100 LEU HB3 H 1 0.978 0.020 . 1 . . . . . 749 LEU HB3 . 51126 1 958 . 1 . 1 100 100 LEU C C 13 173.682 0.300 . 1 . . . . . 749 LEU C . 51126 1 959 . 1 . 1 100 100 LEU CA C 13 54.044 0.300 . 1 . . . . . 749 LEU CA . 51126 1 960 . 1 . 1 100 100 LEU CB C 13 46.081 0.300 . 1 . . . . . 749 LEU CB . 51126 1 961 . 1 . 1 100 100 LEU N N 15 127.137 0.300 . 1 . . . . . 749 LEU N . 51126 1 962 . 1 . 1 101 101 MET H H 1 8.668 0.020 . 1 . . . . . 750 MET H . 51126 1 963 . 1 . 1 101 101 MET HA H 1 5.324 0.020 . 1 . . . . . 750 MET HA . 51126 1 964 . 1 . 1 101 101 MET HB2 H 1 2.114 0.020 . 2 . . . . . 750 MET HB2 . 51126 1 965 . 1 . 1 101 101 MET HB3 H 1 1.927 0.020 . 2 . . . . . 750 MET HB3 . 51126 1 966 . 1 . 1 101 101 MET HG2 H 1 2.364 0.020 . 2 . . . . . 750 MET HG2 . 51126 1 967 . 1 . 1 101 101 MET HG3 H 1 2.451 0.020 . 2 . . . . . 750 MET HG3 . 51126 1 968 . 1 . 1 101 101 MET C C 13 175.644 0.300 . 1 . . . . . 750 MET C . 51126 1 969 . 1 . 1 101 101 MET CA C 13 54.126 0.300 . 1 . . . . . 750 MET CA . 51126 1 970 . 1 . 1 101 101 MET CB C 13 34.215 0.300 . 1 . . . . . 750 MET CB . 51126 1 971 . 1 . 1 101 101 MET CG C 13 32.087 0.300 . 1 . . . . . 750 MET CG . 51126 1 972 . 1 . 1 101 101 MET N N 15 127.883 0.300 . 1 . . . . . 750 MET N . 51126 1 973 . 1 . 1 102 102 VAL H H 1 8.943 0.020 . 1 . . . . . 751 VAL H . 51126 1 974 . 1 . 1 102 102 VAL HA H 1 5.198 0.020 . 1 . . . . . 751 VAL HA . 51126 1 975 . 1 . 1 102 102 VAL HB H 1 1.825 0.020 . 1 . . . . . 751 VAL HB . 51126 1 976 . 1 . 1 102 102 VAL HG11 H 1 0.715 0.020 . 2 . . . . . 751 VAL MG1 . 51126 1 977 . 1 . 1 102 102 VAL HG12 H 1 0.715 0.020 . 2 . . . . . 751 VAL MG1 . 51126 1 978 . 1 . 1 102 102 VAL HG13 H 1 0.715 0.020 . 2 . . . . . 751 VAL MG1 . 51126 1 979 . 1 . 1 102 102 VAL HG21 H 1 0.649 0.020 . 2 . . . . . 751 VAL MG2 . 51126 1 980 . 1 . 1 102 102 VAL HG22 H 1 0.649 0.020 . 2 . . . . . 751 VAL MG2 . 51126 1 981 . 1 . 1 102 102 VAL HG23 H 1 0.649 0.020 . 2 . . . . . 751 VAL MG2 . 51126 1 982 . 1 . 1 102 102 VAL C C 13 173.208 0.300 . 1 . . . . . 751 VAL C . 51126 1 983 . 1 . 1 102 102 VAL CA C 13 58.857 0.300 . 1 . . . . . 751 VAL CA . 51126 1 984 . 1 . 1 102 102 VAL CB C 13 35.382 0.300 . 1 . . . . . 751 VAL CB . 51126 1 985 . 1 . 1 102 102 VAL CG1 C 13 22.064 0.300 . 2 . . . . . 751 VAL CG1 . 51126 1 986 . 1 . 1 102 102 VAL CG2 C 13 20.498 0.300 . 2 . . . . . 751 VAL CG2 . 51126 1 987 . 1 . 1 102 102 VAL N N 15 121.370 0.300 . 1 . . . . . 751 VAL N . 51126 1 988 . 1 . 1 103 103 LYS H H 1 8.266 0.020 . 1 . . . . . 752 LYS H . 51126 1 989 . 1 . 1 103 103 LYS HA H 1 5.465 0.020 . 1 . . . . . 752 LYS HA . 51126 1 990 . 1 . 1 103 103 LYS HB2 H 1 1.674 0.020 . 2 . . . . . 752 LYS HB2 . 51126 1 991 . 1 . 1 103 103 LYS HG2 H 1 1.309 0.020 . 1 . . . . . 752 LYS HG2 . 51126 1 992 . 1 . 1 103 103 LYS HG3 H 1 1.309 0.020 . 1 . . . . . 752 LYS HG3 . 51126 1 993 . 1 . 1 103 103 LYS C C 13 176.174 0.300 . 1 . . . . . 752 LYS C . 51126 1 994 . 1 . 1 103 103 LYS CA C 13 54.887 0.300 . 1 . . . . . 752 LYS CA . 51126 1 995 . 1 . 1 103 103 LYS CB C 13 35.690 0.300 . 1 . . . . . 752 LYS CB . 51126 1 996 . 1 . 1 103 103 LYS CG C 13 24.731 0.300 . 1 . . . . . 752 LYS CG . 51126 1 997 . 1 . 1 103 103 LYS CD C 13 29.102 0.300 . 1 . . . . . 752 LYS CD . 51126 1 998 . 1 . 1 103 103 LYS CE C 13 42.106 0.300 . 1 . . . . . 752 LYS CE . 51126 1 999 . 1 . 1 103 103 LYS N N 15 123.672 0.300 . 1 . . . . . 752 LYS N . 51126 1 1000 . 1 . 1 104 104 VAL H H 1 9.194 0.020 . 1 . . . . . 753 VAL H . 51126 1 1001 . 1 . 1 104 104 VAL HA H 1 5.745 0.020 . 1 . . . . . 753 VAL HA . 51126 1 1002 . 1 . 1 104 104 VAL HB H 1 2.136 0.020 . 1 . . . . . 753 VAL HB . 51126 1 1003 . 1 . 1 104 104 VAL HG11 H 1 0.730 0.020 . 2 . . . . . 753 VAL MG1 . 51126 1 1004 . 1 . 1 104 104 VAL HG12 H 1 0.730 0.020 . 2 . . . . . 753 VAL MG1 . 51126 1 1005 . 1 . 1 104 104 VAL HG13 H 1 0.730 0.020 . 2 . . . . . 753 VAL MG1 . 51126 1 1006 . 1 . 1 104 104 VAL HG21 H 1 0.658 0.020 . 2 . . . . . 753 VAL MG2 . 51126 1 1007 . 1 . 1 104 104 VAL HG22 H 1 0.658 0.020 . 2 . . . . . 753 VAL MG2 . 51126 1 1008 . 1 . 1 104 104 VAL HG23 H 1 0.658 0.020 . 2 . . . . . 753 VAL MG2 . 51126 1 1009 . 1 . 1 104 104 VAL C C 13 174.804 0.300 . 1 . . . . . 753 VAL C . 51126 1 1010 . 1 . 1 104 104 VAL CA C 13 57.828 0.300 . 1 . . . . . 753 VAL CA . 51126 1 1011 . 1 . 1 104 104 VAL CB C 13 35.860 0.300 . 1 . . . . . 753 VAL CB . 51126 1 1012 . 1 . 1 104 104 VAL CG1 C 13 19.365 0.300 . 2 . . . . . 753 VAL CG1 . 51126 1 1013 . 1 . 1 104 104 VAL CG2 C 13 20.868 0.300 . 2 . . . . . 753 VAL CG2 . 51126 1 1014 . 1 . 1 104 104 VAL N N 15 118.679 0.300 . 1 . . . . . 753 VAL N . 51126 1 1015 . 1 . 1 105 105 VAL H H 1 8.828 0.020 . 1 . . . . . 754 VAL H . 51126 1 1016 . 1 . 1 105 105 VAL HA H 1 5.045 0.020 . 1 . . . . . 754 VAL HA . 51126 1 1017 . 1 . 1 105 105 VAL HB H 1 1.799 0.020 . 1 . . . . . 754 VAL HB . 51126 1 1018 . 1 . 1 105 105 VAL HG11 H 1 0.888 0.020 . 1 . . . . . 754 VAL MG1 . 51126 1 1019 . 1 . 1 105 105 VAL HG12 H 1 0.888 0.020 . 1 . . . . . 754 VAL MG1 . 51126 1 1020 . 1 . 1 105 105 VAL HG13 H 1 0.888 0.020 . 1 . . . . . 754 VAL MG1 . 51126 1 1021 . 1 . 1 105 105 VAL HG21 H 1 0.888 0.020 . 1 . . . . . 754 VAL MG2 . 51126 1 1022 . 1 . 1 105 105 VAL HG22 H 1 0.888 0.020 . 1 . . . . . 754 VAL MG2 . 51126 1 1023 . 1 . 1 105 105 VAL HG23 H 1 0.888 0.020 . 1 . . . . . 754 VAL MG2 . 51126 1 1024 . 1 . 1 105 105 VAL C C 13 173.922 0.300 . 1 . . . . . 754 VAL C . 51126 1 1025 . 1 . 1 105 105 VAL CA C 13 60.144 0.300 . 1 . . . . . 754 VAL CA . 51126 1 1026 . 1 . 1 105 105 VAL CB C 13 35.784 0.300 . 1 . . . . . 754 VAL CB . 51126 1 1027 . 1 . 1 105 105 VAL CG1 C 13 21.860 0.300 . 1 . . . . . 754 VAL CG1 . 51126 1 1028 . 1 . 1 105 105 VAL N N 15 115.545 0.300 . 1 . . . . . 754 VAL N . 51126 1 1029 . 1 . 1 106 106 MET H H 1 8.975 0.020 . 1 . . . . . 755 MET H . 51126 1 1030 . 1 . 1 106 106 MET HA H 1 5.028 0.020 . 1 . . . . . 755 MET HA . 51126 1 1031 . 1 . 1 106 106 MET HB2 H 1 1.987 0.020 . 1 . . . . . 755 MET HB2 . 51126 1 1032 . 1 . 1 106 106 MET HB3 H 1 1.987 0.020 . 1 . . . . . 755 MET HB3 . 51126 1 1033 . 1 . 1 106 106 MET HG2 H 1 2.538 0.020 . 2 . . . . . 755 MET HG2 . 51126 1 1034 . 1 . 1 106 106 MET HG3 H 1 2.457 0.020 . 2 . . . . . 755 MET HG3 . 51126 1 1035 . 1 . 1 106 106 MET C C 13 174.913 0.300 . 1 . . . . . 755 MET C . 51126 1 1036 . 1 . 1 106 106 MET CA C 13 54.103 0.300 . 1 . . . . . 755 MET CA . 51126 1 1037 . 1 . 1 106 106 MET CB C 13 35.167 0.300 . 1 . . . . . 755 MET CB . 51126 1 1038 . 1 . 1 106 106 MET CG C 13 31.393 0.300 . 1 . . . . . 755 MET CG . 51126 1 1039 . 1 . 1 106 106 MET N N 15 125.843 0.300 . 1 . . . . . 755 MET N . 51126 1 1040 . 1 . 1 107 107 VAL H H 1 9.096 0.020 . 1 . . . . . 756 VAL H . 51126 1 1041 . 1 . 1 107 107 VAL HA H 1 4.741 0.020 . 1 . . . . . 756 VAL HA . 51126 1 1042 . 1 . 1 107 107 VAL HB H 1 2.087 0.020 . 1 . . . . . 756 VAL HB . 51126 1 1043 . 1 . 1 107 107 VAL HG11 H 1 0.862 0.020 . 2 . . . . . 756 VAL MG1 . 51126 1 1044 . 1 . 1 107 107 VAL HG12 H 1 0.862 0.020 . 2 . . . . . 756 VAL MG1 . 51126 1 1045 . 1 . 1 107 107 VAL HG13 H 1 0.862 0.020 . 2 . . . . . 756 VAL MG1 . 51126 1 1046 . 1 . 1 107 107 VAL C C 13 175.960 0.300 . 1 . . . . . 756 VAL C . 51126 1 1047 . 1 . 1 107 107 VAL CA C 13 61.545 0.300 . 1 . . . . . 756 VAL CA . 51126 1 1048 . 1 . 1 107 107 VAL CB C 13 33.519 0.300 . 1 . . . . . 756 VAL CB . 51126 1 1049 . 1 . 1 107 107 VAL CG1 C 13 21.226 0.300 . 2 . . . . . 756 VAL CG1 . 51126 1 1050 . 1 . 1 107 107 VAL CG2 C 13 21.010 0.300 . 2 . . . . . 756 VAL CG2 . 51126 1 1051 . 1 . 1 107 107 VAL N N 15 126.618 0.300 . 1 . . . . . 756 VAL N . 51126 1 1052 . 1 . 1 108 108 THR H H 1 8.799 0.020 . 1 . . . . . 757 THR H . 51126 1 1053 . 1 . 1 108 108 THR HA H 1 4.654 0.020 . 1 . . . . . 757 THR HA . 51126 1 1054 . 1 . 1 108 108 THR HB H 1 4.086 0.020 . 1 . . . . . 757 THR HB . 51126 1 1055 . 1 . 1 108 108 THR HG21 H 1 1.163 0.020 . 1 . . . . . 757 THR HG2 . 51126 1 1056 . 1 . 1 108 108 THR HG22 H 1 1.163 0.020 . 1 . . . . . 757 THR HG2 . 51126 1 1057 . 1 . 1 108 108 THR HG23 H 1 1.163 0.020 . 1 . . . . . 757 THR HG2 . 51126 1 1058 . 1 . 1 108 108 THR C C 13 173.181 0.300 . 1 . . . . . 757 THR C . 51126 1 1059 . 1 . 1 108 108 THR CA C 13 60.759 0.300 . 1 . . . . . 757 THR CA . 51126 1 1060 . 1 . 1 108 108 THR CB C 13 70.966 0.300 . 1 . . . . . 757 THR CB . 51126 1 1061 . 1 . 1 108 108 THR CG2 C 13 21.419 0.300 . 1 . . . . . 757 THR CG2 . 51126 1 1062 . 1 . 1 108 108 THR N N 15 120.896 0.300 . 1 . . . . . 757 THR N . 51126 1 1063 . 1 . 1 109 109 ARG H H 1 8.589 0.020 . 1 . . . . . 758 ARG H . 51126 1 1064 . 1 . 1 109 109 ARG HA H 1 4.411 0.020 . 1 . . . . . 758 ARG HA . 51126 1 1065 . 1 . 1 109 109 ARG HB2 H 1 1.735 0.020 . 2 . . . . . 758 ARG HB2 . 51126 1 1066 . 1 . 1 109 109 ARG HB3 H 1 1.601 0.020 . 2 . . . . . 758 ARG HB3 . 51126 1 1067 . 1 . 1 109 109 ARG HG2 H 1 1.455 0.020 . 1 . . . . . 758 ARG HG2 . 51126 1 1068 . 1 . 1 109 109 ARG HG3 H 1 1.455 0.020 . 1 . . . . . 758 ARG HG3 . 51126 1 1069 . 1 . 1 109 109 ARG HD2 H 1 3.038 0.020 . 1 . . . . . 758 ARG HD2 . 51126 1 1070 . 1 . 1 109 109 ARG HD3 H 1 3.038 0.020 . 1 . . . . . 758 ARG HD3 . 51126 1 1071 . 1 . 1 109 109 ARG C C 13 175.743 0.300 . 1 . . . . . 758 ARG C . 51126 1 1072 . 1 . 1 109 109 ARG CA C 13 55.530 0.300 . 1 . . . . . 758 ARG CA . 51126 1 1073 . 1 . 1 109 109 ARG CB C 13 31.396 0.300 . 1 . . . . . 758 ARG CB . 51126 1 1074 . 1 . 1 109 109 ARG CG C 13 27.322 0.300 . 1 . . . . . 758 ARG CG . 51126 1 1075 . 1 . 1 109 109 ARG CD C 13 43.188 0.300 . 1 . . . . . 758 ARG CD . 51126 1 1076 . 1 . 1 109 109 ARG N N 15 123.718 0.300 . 1 . . . . . 758 ARG N . 51126 1 1077 . 1 . 1 110 110 HIS H H 1 8.419 0.020 . 1 . . . . . 759 HIS H . 51126 1 1078 . 1 . 1 110 110 HIS HA H 1 4.588 0.020 . 1 . . . . . 759 HIS HA . 51126 1 1079 . 1 . 1 110 110 HIS HB2 H 1 2.993 0.020 . 2 . . . . . 759 HIS HB2 . 51126 1 1080 . 1 . 1 110 110 HIS HB3 H 1 2.889 0.020 . 2 . . . . . 759 HIS HB3 . 51126 1 1081 . 1 . 1 110 110 HIS C C 13 174.059 0.300 . 1 . . . . . 759 HIS C . 51126 1 1082 . 1 . 1 110 110 HIS CA C 13 55.149 0.300 . 1 . . . . . 759 HIS CA . 51126 1 1083 . 1 . 1 110 110 HIS CB C 13 30.770 0.300 . 1 . . . . . 759 HIS CB . 51126 1 1084 . 1 . 1 110 110 HIS N N 15 124.411 0.300 . 1 . . . . . 759 HIS N . 51126 1 1085 . 1 . 1 111 111 PRO HA H 1 4.374 0.020 . 1 . . . . . 760 PRO HA . 51126 1 1086 . 1 . 1 111 111 PRO HB2 H 1 2.245 0.020 . 2 . . . . . 760 PRO HB2 . 51126 1 1087 . 1 . 1 111 111 PRO HB3 H 1 1.908 0.020 . 2 . . . . . 760 PRO HB3 . 51126 1 1088 . 1 . 1 111 111 PRO HG2 H 1 1.903 0.020 . 1 . . . . . 760 PRO HG2 . 51126 1 1089 . 1 . 1 111 111 PRO HG3 H 1 1.903 0.020 . 1 . . . . . 760 PRO HG3 . 51126 1 1090 . 1 . 1 111 111 PRO HD2 H 1 3.626 0.020 . 2 . . . . . 760 PRO HD2 . 51126 1 1091 . 1 . 1 111 111 PRO HD3 H 1 3.202 0.020 . 2 . . . . . 760 PRO HD3 . 51126 1 1092 . 1 . 1 111 111 PRO C C 13 176.822 0.300 . 1 . . . . . 760 PRO C . 51126 1 1093 . 1 . 1 111 111 PRO CA C 13 63.664 0.300 . 1 . . . . . 760 PRO CA . 51126 1 1094 . 1 . 1 111 111 PRO CB C 13 32.122 0.300 . 1 . . . . . 760 PRO CB . 51126 1 1095 . 1 . 1 111 111 PRO CG C 13 27.219 0.300 . 1 . . . . . 760 PRO CG . 51126 1 1096 . 1 . 1 111 111 PRO CD C 13 50.609 0.300 . 1 . . . . . 760 PRO CD . 51126 1 1097 . 1 . 1 112 112 ASP H H 1 9.069 0.020 . 1 . . . . . 761 ASP H . 51126 1 1098 . 1 . 1 112 112 ASP HA H 1 4.593 0.020 . 1 . . . . . 761 ASP HA . 51126 1 1099 . 1 . 1 112 112 ASP HB2 H 1 2.616 0.020 . 2 . . . . . 761 ASP HB2 . 51126 1 1100 . 1 . 1 112 112 ASP HB3 H 1 2.733 0.020 . 2 . . . . . 761 ASP HB3 . 51126 1 1101 . 1 . 1 112 112 ASP C C 13 176.607 0.300 . 1 . . . . . 761 ASP C . 51126 1 1102 . 1 . 1 112 112 ASP CA C 13 54.662 0.300 . 1 . . . . . 761 ASP CA . 51126 1 1103 . 1 . 1 112 112 ASP CB C 13 40.880 0.300 . 1 . . . . . 761 ASP CB . 51126 1 1104 . 1 . 1 112 112 ASP N N 15 120.506 0.300 . 1 . . . . . 761 ASP N . 51126 1 1105 . 1 . 1 113 113 MET H H 1 8.224 0.020 . 1 . . . . . 762 MET H . 51126 1 1106 . 1 . 1 113 113 MET HA H 1 4.426 0.020 . 1 . . . . . 762 MET HA . 51126 1 1107 . 1 . 1 113 113 MET HB2 H 1 1.994 0.020 . 2 . . . . . 762 MET HB2 . 51126 1 1108 . 1 . 1 113 113 MET HB3 H 1 2.088 0.020 . 2 . . . . . 762 MET HB3 . 51126 1 1109 . 1 . 1 113 113 MET HG2 H 1 2.560 0.020 . 2 . . . . . 762 MET HG2 . 51126 1 1110 . 1 . 1 113 113 MET HG3 H 1 2.473 0.020 . 2 . . . . . 762 MET HG3 . 51126 1 1111 . 1 . 1 113 113 MET C C 13 175.974 0.300 . 1 . . . . . 762 MET C . 51126 1 1112 . 1 . 1 113 113 MET CA C 13 55.587 0.300 . 1 . . . . . 762 MET CA . 51126 1 1113 . 1 . 1 113 113 MET CB C 13 32.821 0.300 . 1 . . . . . 762 MET CB . 51126 1 1114 . 1 . 1 113 113 MET CG C 13 31.886 0.300 . 1 . . . . . 762 MET CG . 51126 1 1115 . 1 . 1 113 113 MET N N 15 120.036 0.300 . 1 . . . . . 762 MET N . 51126 1 1116 . 1 . 1 114 114 ASP H H 1 8.285 0.020 . 1 . . . . . 763 ASP H . 51126 1 1117 . 1 . 1 114 114 ASP HA H 1 4.591 0.020 . 1 . . . . . 763 ASP HA . 51126 1 1118 . 1 . 1 114 114 ASP HB2 H 1 2.594 0.020 . 2 . . . . . 763 ASP HB2 . 51126 1 1119 . 1 . 1 114 114 ASP HB3 H 1 2.731 0.020 . 2 . . . . . 763 ASP HB3 . 51126 1 1120 . 1 . 1 114 114 ASP C C 13 176.265 0.300 . 1 . . . . . 763 ASP C . 51126 1 1121 . 1 . 1 114 114 ASP CA C 13 54.557 0.300 . 1 . . . . . 763 ASP CA . 51126 1 1122 . 1 . 1 114 114 ASP CB C 13 41.259 0.300 . 1 . . . . . 763 ASP CB . 51126 1 1123 . 1 . 1 114 114 ASP N N 15 121.451 0.300 . 1 . . . . . 763 ASP N . 51126 1 1124 . 1 . 1 115 115 GLU H H 1 8.291 0.020 . 1 . . . . . 764 GLU H . 51126 1 1125 . 1 . 1 115 115 GLU HA H 1 4.210 0.020 . 1 . . . . . 764 GLU HA . 51126 1 1126 . 1 . 1 115 115 GLU HB2 H 1 2.053 0.020 . 2 . . . . . 764 GLU HB2 . 51126 1 1127 . 1 . 1 115 115 GLU HB3 H 1 1.941 0.020 . 2 . . . . . 764 GLU HB3 . 51126 1 1128 . 1 . 1 115 115 GLU HG2 H 1 2.279 0.020 . 2 . . . . . 764 GLU HG2 . 51126 1 1129 . 1 . 1 115 115 GLU HG3 H 1 2.238 0.020 . 2 . . . . . 764 GLU HG3 . 51126 1 1130 . 1 . 1 115 115 GLU C C 13 176.254 0.300 . 1 . . . . . 764 GLU C . 51126 1 1131 . 1 . 1 115 115 GLU CA C 13 56.738 0.300 . 1 . . . . . 764 GLU CA . 51126 1 1132 . 1 . 1 115 115 GLU CB C 13 30.275 0.300 . 1 . . . . . 764 GLU CB . 51126 1 1133 . 1 . 1 115 115 GLU CG C 13 36.262 0.300 . 1 . . . . . 764 GLU CG . 51126 1 1134 . 1 . 1 115 115 GLU N N 15 121.473 0.300 . 1 . . . . . 764 GLU N . 51126 1 1135 . 1 . 1 116 116 ALA H H 1 8.275 0.020 . 1 . . . . . 765 ALA H . 51126 1 1136 . 1 . 1 116 116 ALA HA H 1 4.274 0.020 . 1 . . . . . 765 ALA HA . 51126 1 1137 . 1 . 1 116 116 ALA HB1 H 1 1.352 0.020 . 1 . . . . . 765 ALA MB . 51126 1 1138 . 1 . 1 116 116 ALA HB2 H 1 1.352 0.020 . 1 . . . . . 765 ALA MB . 51126 1 1139 . 1 . 1 116 116 ALA HB3 H 1 1.352 0.020 . 1 . . . . . 765 ALA MB . 51126 1 1140 . 1 . 1 116 116 ALA C C 13 177.566 0.300 . 1 . . . . . 765 ALA C . 51126 1 1141 . 1 . 1 116 116 ALA CA C 13 52.582 0.300 . 1 . . . . . 765 ALA CA . 51126 1 1142 . 1 . 1 116 116 ALA CB C 13 19.114 0.300 . 1 . . . . . 765 ALA CB . 51126 1 1143 . 1 . 1 116 116 ALA N N 15 124.464 0.300 . 1 . . . . . 765 ALA N . 51126 1 1144 . 1 . 1 117 117 VAL H H 1 7.893 0.020 . 1 . . . . . 766 VAL H . 51126 1 1145 . 1 . 1 117 117 VAL HA H 1 4.022 0.020 . 1 . . . . . 766 VAL HA . 51126 1 1146 . 1 . 1 117 117 VAL HB H 1 1.998 0.020 . 1 . . . . . 766 VAL HB . 51126 1 1147 . 1 . 1 117 117 VAL HG11 H 1 0.882 0.020 . 2 . . . . . 766 VAL MG1 . 51126 1 1148 . 1 . 1 117 117 VAL HG12 H 1 0.882 0.020 . 2 . . . . . 766 VAL MG1 . 51126 1 1149 . 1 . 1 117 117 VAL HG13 H 1 0.882 0.020 . 2 . . . . . 766 VAL MG1 . 51126 1 1150 . 1 . 1 117 117 VAL HG21 H 1 0.843 0.020 . 2 . . . . . 766 VAL MG2 . 51126 1 1151 . 1 . 1 117 117 VAL HG22 H 1 0.843 0.020 . 2 . . . . . 766 VAL MG2 . 51126 1 1152 . 1 . 1 117 117 VAL HG23 H 1 0.843 0.020 . 2 . . . . . 766 VAL MG2 . 51126 1 1153 . 1 . 1 117 117 VAL C C 13 175.785 0.300 . 1 . . . . . 766 VAL C . 51126 1 1154 . 1 . 1 117 117 VAL CA C 13 62.282 0.300 . 1 . . . . . 766 VAL CA . 51126 1 1155 . 1 . 1 117 117 VAL CB C 13 32.635 0.300 . 1 . . . . . 766 VAL CB . 51126 1 1156 . 1 . 1 117 117 VAL CG2 C 13 21.026 0.300 . 1 . . . . . 766 VAL CG2 . 51126 1 1157 . 1 . 1 117 117 VAL N N 15 118.458 0.300 . 1 . . . . . 766 VAL N . 51126 1 1158 . 1 . 1 118 118 HIS H H 1 8.281 0.020 . 1 . . . . . 767 HIS H . 51126 1 1159 . 1 . 1 118 118 HIS HA H 1 4.668 0.020 . 1 . . . . . 767 HIS HA . 51126 1 1160 . 1 . 1 118 118 HIS HB2 H 1 3.146 0.020 . 2 . . . . . 767 HIS HB2 . 51126 1 1161 . 1 . 1 118 118 HIS HB3 H 1 3.069 0.020 . 2 . . . . . 767 HIS HB3 . 51126 1 1162 . 1 . 1 118 118 HIS C C 13 176.213 0.300 . 1 . . . . . 767 HIS C . 51126 1 1163 . 1 . 1 118 118 HIS CA C 13 55.839 0.300 . 1 . . . . . 767 HIS CA . 51126 1 1164 . 1 . 1 118 118 HIS CB C 13 30.498 0.300 . 1 . . . . . 767 HIS CB . 51126 1 1165 . 1 . 1 118 118 HIS N N 15 123.482 0.300 . 1 . . . . . 767 HIS N . 51126 1 1166 . 1 . 1 119 119 LYS H H 1 7.937 0.020 . 1 . . . . . 768 LYS H . 51126 1 1167 . 1 . 1 119 119 LYS HA H 1 4.141 0.020 . 1 . . . . . 768 LYS HA . 51126 1 1168 . 1 . 1 119 119 LYS HB2 H 1 1.810 0.020 . 2 . . . . . 768 LYS HB2 . 51126 1 1169 . 1 . 1 119 119 LYS HB3 H 1 1.696 0.020 . 2 . . . . . 768 LYS HB3 . 51126 1 1170 . 1 . 1 119 119 LYS HG2 H 1 1.364 0.020 . 1 . . . . . 768 LYS HG2 . 51126 1 1171 . 1 . 1 119 119 LYS HG3 H 1 1.364 0.020 . 1 . . . . . 768 LYS HG3 . 51126 1 1172 . 1 . 1 119 119 LYS HD2 H 1 1.657 0.020 . 1 . . . . . 768 LYS HD2 . 51126 1 1173 . 1 . 1 119 119 LYS HD3 H 1 1.657 0.020 . 1 . . . . . 768 LYS HD3 . 51126 1 1174 . 1 . 1 119 119 LYS HE2 H 1 2.971 0.020 . 1 . . . . . 768 LYS HE2 . 51126 1 1175 . 1 . 1 119 119 LYS HE3 H 1 2.971 0.020 . 1 . . . . . 768 LYS HE3 . 51126 1 1176 . 1 . 1 119 119 LYS C C 13 181.112 0.300 . 1 . . . . . 768 LYS C . 51126 1 1177 . 1 . 1 119 119 LYS CA C 13 57.667 0.300 . 1 . . . . . 768 LYS CA . 51126 1 1178 . 1 . 1 119 119 LYS CB C 13 33.698 0.300 . 1 . . . . . 768 LYS CB . 51126 1 1179 . 1 . 1 119 119 LYS CG C 13 24.713 0.300 . 1 . . . . . 768 LYS CG . 51126 1 1180 . 1 . 1 119 119 LYS CD C 13 29.066 0.300 . 1 . . . . . 768 LYS CD . 51126 1 1181 . 1 . 1 119 119 LYS CE C 13 42.127 0.300 . 1 . . . . . 768 LYS CE . 51126 1 1182 . 1 . 1 119 119 LYS N N 15 128.229 0.300 . 1 . . . . . 768 LYS N . 51126 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 9 51126 1 1 10 51126 1 1 289 51126 1 2 297 51126 1 2 303 51126 1 3 298 51126 1 3 304 51126 1 4 293 51126 1 4 299 51126 1 5 294 51126 1 5 295 51126 1 5 296 51126 1 5 300 51126 1 5 301 51126 1 5 302 51126 1 6 499 51126 1 6 500 51126 1 6 501 51126 1 6 530 51126 1 6 531 51126 1 6 532 51126 1 7 570 51126 1 7 607 51126 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51126 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'T1 data' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details 'R1 relaxation' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 'T1/R1 relaxation' . . . 51126 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 5 $software_5 . . 51126 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 6 6 SER N N 15 1.158 0.133 . . 655 SER N 51126 1 2 . 1 1 7 7 ASP N N 15 1.326 0.124 . . 656 ASP N 51126 1 3 . 1 1 8 8 TYR N N 15 1.040 0.073 . . 657 TYR N 51126 1 4 . 1 1 9 9 ILE N N 15 0.853 0.067 . . 658 ILE N 51126 1 5 . 1 1 10 10 ILE N N 15 0.868 0.061 . . 659 ILE N 51126 1 6 . 1 1 11 11 LYS N N 15 1.031 0.115 . . 660 LYS N 51126 1 7 . 1 1 12 12 GLU N N 15 0.835 0.058 . . 661 GLU N 51126 1 8 . 1 1 13 13 LYS N N 15 0.900 0.066 . . 662 LYS N 51126 1 9 . 1 1 14 14 THR N N 15 1.002 0.070 . . 663 THR N 51126 1 10 . 1 1 15 15 VAL N N 15 0.903 0.063 . . 664 VAL N 51126 1 11 . 1 1 16 16 LEU N N 15 0.792 0.055 . . 665 LEU N 51126 1 12 . 1 1 17 17 LEU N N 15 1.011 0.071 . . 666 LEU N 51126 1 13 . 1 1 18 18 GLN N N 15 0.867 0.061 . . 667 GLN N 51126 1 14 . 1 1 19 19 LYS N N 15 0.960 0.067 . . 668 LYS N 51126 1 15 . 1 1 20 20 LYS N N 15 0.822 0.065 . . 669 LYS N 51126 1 16 . 1 1 21 21 ASP N N 15 0.936 0.089 . . 670 ASP N 51126 1 17 . 1 1 23 23 GLU N N 15 0.914 0.072 . . 672 GLU N 51126 1 18 . 1 1 24 24 GLY N N 15 0.989 0.069 . . 673 GLY N 51126 1 19 . 1 1 25 25 PHE N N 15 0.944 0.066 . . 674 PHE N 51126 1 20 . 1 1 26 26 GLY N N 15 0.920 0.085 . . 675 GLY N 51126 1 21 . 1 1 27 27 PHE N N 15 0.863 0.060 . . 676 PHE N 51126 1 22 . 1 1 28 28 VAL N N 15 0.880 0.106 . . 677 VAL N 51126 1 23 . 1 1 29 29 LEU N N 15 0.812 0.057 . . 678 LEU N 51126 1 24 . 1 1 30 30 ARG N N 15 0.965 0.104 . . 679 ARG N 51126 1 25 . 1 1 31 31 GLY N N 15 0.998 0.084 . . 680 GLY N 51126 1 26 . 1 1 39 39 GLU N N 15 1.033 0.072 . . 688 GLU N 51126 1 27 . 1 1 41 41 PHE N N 15 0.823 0.111 . . 690 PHE N 51126 1 28 . 1 1 42 42 THR N N 15 0.951 0.067 . . 691 THR N 51126 1 29 . 1 1 44 44 THR N N 15 0.894 0.063 . . 693 THR N 51126 1 30 . 1 1 46 46 ALA N N 15 0.923 0.120 . . 695 ALA N 51126 1 31 . 1 1 47 47 PHE N N 15 0.890 0.062 . . 696 PHE N 51126 1 32 . 1 1 49 49 ALA N N 15 0.943 0.066 . . 698 ALA N 51126 1 33 . 1 1 50 50 LEU N N 15 0.929 0.073 . . 699 LEU N 51126 1 34 . 1 1 51 51 GLN N N 15 0.899 0.170 . . 700 GLN N 51126 1 35 . 1 1 52 52 TYR N N 15 0.930 0.076 . . 701 TYR N 51126 1 36 . 1 1 53 53 LEU N N 15 0.751 0.104 . . 702 LEU N 51126 1 37 . 1 1 54 54 GLU N N 15 0.790 0.055 . . 703 GLU N 51126 1 38 . 1 1 55 55 SER N N 15 0.956 0.105 . . 704 SER N 51126 1 39 . 1 1 56 56 VAL N N 15 0.925 0.121 . . 705 VAL N 51126 1 40 . 1 1 57 57 ASP N N 15 0.858 0.117 . . 706 ASP N 51126 1 41 . 1 1 58 58 GLU N N 15 1.105 0.160 . . 707 GLU N 51126 1 42 . 1 1 60 60 GLY N N 15 0.797 0.059 . . 709 GLY N 51126 1 43 . 1 1 61 61 VAL N N 15 0.902 0.079 . . 710 VAL N 51126 1 44 . 1 1 63 63 TRP N N 15 1.035 0.072 . . 712 TRP N 51126 1 45 . 1 1 65 65 ALA N N 15 0.883 0.062 . . 714 ALA N 51126 1 46 . 1 1 66 66 GLY N N 15 1.141 0.324 . . 715 GLY N 51126 1 47 . 1 1 67 67 LEU N N 15 0.915 0.064 . . 716 LEU N 51126 1 48 . 1 1 68 68 ARG N N 15 0.867 0.090 . . 717 ARG N 51126 1 49 . 1 1 70 70 GLY N N 15 0.703 0.079 . . 719 GLY N 51126 1 50 . 1 1 71 71 ASP N N 15 0.937 0.066 . . 720 ASP N 51126 1 51 . 1 1 72 72 PHE N N 15 0.845 0.103 . . 721 PHE N 51126 1 52 . 1 1 73 73 LEU N N 15 0.927 0.174 . . 722 LEU N 51126 1 53 . 1 1 74 74 ILE N N 15 0.960 0.075 . . 723 ILE N 51126 1 54 . 1 1 75 75 GLU N N 15 0.873 0.061 . . 724 GLU N 51126 1 55 . 1 1 76 76 VAL N N 15 0.883 0.084 . . 725 VAL N 51126 1 56 . 1 1 77 77 ASN N N 15 0.951 0.091 . . 726 ASN N 51126 1 57 . 1 1 78 78 GLY N N 15 1.064 0.074 . . 727 GLY N 51126 1 58 . 1 1 79 79 GLN N N 15 1.000 0.070 . . 728 GLN N 51126 1 59 . 1 1 80 80 ASN N N 15 0.983 0.069 . . 729 ASN N 51126 1 60 . 1 1 81 81 VAL N N 15 1.028 0.093 . . 730 VAL N 51126 1 61 . 1 1 82 82 VAL N N 15 1.006 0.070 . . 731 VAL N 51126 1 62 . 1 1 83 83 LYS N N 15 0.968 0.068 . . 732 LYS N 51126 1 63 . 1 1 84 84 VAL N N 15 0.959 0.067 . . 733 VAL N 51126 1 64 . 1 1 85 85 GLY N N 15 1.105 0.077 . . 734 GLY N 51126 1 65 . 1 1 86 86 HIS N N 15 0.992 0.069 . . 735 HIS N 51126 1 66 . 1 1 87 87 ARG N N 15 0.838 0.059 . . 736 ARG N 51126 1 67 . 1 1 89 89 VAL N N 15 0.867 0.061 . . 738 VAL N 51126 1 68 . 1 1 90 90 VAL N N 15 0.890 0.062 . . 739 VAL N 51126 1 69 . 1 1 91 91 ASN N N 15 0.854 0.071 . . 740 ASN N 51126 1 70 . 1 1 92 92 MET N N 15 0.963 0.067 . . 741 MET N 51126 1 71 . 1 1 93 93 ILE N N 15 1.010 0.071 . . 742 ILE N 51126 1 72 . 1 1 94 94 ARG N N 15 0.909 0.064 . . 743 ARG N 51126 1 73 . 1 1 95 95 GLN N N 15 0.929 0.074 . . 744 GLN N 51126 1 74 . 1 1 96 96 GLY N N 15 0.830 0.058 . . 745 GLY N 51126 1 75 . 1 1 97 97 GLY N N 15 0.978 0.068 . . 746 GLY N 51126 1 76 . 1 1 98 98 ASN N N 15 0.978 0.100 . . 747 ASN N 51126 1 77 . 1 1 99 99 THR N N 15 0.847 0.059 . . 748 THR N 51126 1 78 . 1 1 100 100 LEU N N 15 0.900 0.109 . . 749 LEU N 51126 1 79 . 1 1 101 101 MET N N 15 0.866 0.061 . . 750 MET N 51126 1 80 . 1 1 102 102 VAL N N 15 0.952 0.067 . . 751 VAL N 51126 1 81 . 1 1 103 103 LYS N N 15 0.873 0.072 . . 752 LYS N 51126 1 82 . 1 1 104 104 VAL N N 15 0.906 0.063 . . 753 VAL N 51126 1 83 . 1 1 105 105 VAL N N 15 1.011 0.079 . . 754 VAL N 51126 1 84 . 1 1 106 106 MET N N 15 1.080 0.145 . . 755 MET N 51126 1 85 . 1 1 107 107 VAL N N 15 0.833 0.132 . . 756 VAL N 51126 1 86 . 1 1 108 108 THR N N 15 0.869 0.063 . . 757 THR N 51126 1 87 . 1 1 110 110 HIS N N 15 1.066 0.075 . . 759 HIS N 51126 1 88 . 1 1 112 112 ASP N N 15 1.111 0.115 . . 761 ASP N 51126 1 89 . 1 1 113 113 MET N N 15 1.275 0.096 . . 762 MET N 51126 1 90 . 1 1 116 116 ALA N N 15 1.491 0.104 . . 765 ALA N 51126 1 91 . 1 1 117 117 VAL N N 15 1.360 0.095 . . 766 VAL N 51126 1 92 . 1 1 118 118 HIS N N 15 1.305 0.131 . . 767 HIS N 51126 1 93 . 1 1 119 119 LYS N N 15 1.156 0.081 . . 768 LYS N 51126 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51126 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'T2 data' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'R2 relaxation' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 15 'T2/R2 relaxation' . . . 51126 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 5 $software_5 . . 51126 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 6 6 SER N N 15 6.050 0.571 . . . . 655 SER N 51126 1 2 . 1 1 7 7 ASP N N 15 8.091 0.566 . . . . 656 ASP N 51126 1 3 . 1 1 8 8 TYR N N 15 12.367 0.865 . . . . 657 TYR N 51126 1 4 . 1 1 9 9 ILE N N 15 12.213 0.855 . . . . 658 ILE N 51126 1 5 . 1 1 10 10 ILE N N 15 13.589 1.104 . . . . 659 ILE N 51126 1 6 . 1 1 11 11 LYS N N 15 16.250 1.138 . . . . 660 LYS N 51126 1 7 . 1 1 12 12 GLU N N 15 15.200 1.064 . . . . 661 GLU N 51126 1 8 . 1 1 13 13 LYS N N 15 13.998 0.988 . . . . 662 LYS N 51126 1 9 . 1 1 14 14 THR N N 15 12.591 0.881 . . . . 663 THR N 51126 1 10 . 1 1 15 15 VAL N N 15 15.987 1.119 . . . . 664 VAL N 51126 1 11 . 1 1 16 16 LEU N N 15 14.799 1.035 . . . . 665 LEU N 51126 1 12 . 1 1 17 17 LEU N N 15 14.821 1.795 . . . . 666 LEU N 51126 1 13 . 1 1 18 18 GLN N N 15 14.037 0.982 . . . . 667 GLN N 51126 1 14 . 1 1 19 19 LYS N N 15 14.443 1.011 . . . . 668 LYS N 51126 1 15 . 1 1 20 20 LYS N N 15 15.528 1.086 . . . . 669 LYS N 51126 1 16 . 1 1 21 21 ASP N N 15 13.980 1.042 . . . . 670 ASP N 51126 1 17 . 1 1 23 23 GLU N N 15 13.396 0.937 . . . . 672 GLU N 51126 1 18 . 1 1 24 24 GLY N N 15 14.921 1.124 . . . . 673 GLY N 51126 1 19 . 1 1 25 25 PHE N N 15 14.499 1.014 . . . . 674 PHE N 51126 1 20 . 1 1 26 26 GLY N N 15 17.504 1.225 . . . . 675 GLY N 51126 1 21 . 1 1 27 27 PHE N N 15 17.740 1.242 . . . . 676 PHE N 51126 1 22 . 1 1 28 28 VAL N N 15 14.671 1.027 . . . . 677 VAL N 51126 1 23 . 1 1 29 29 LEU N N 15 17.419 1.617 . . . . 678 LEU N 51126 1 24 . 1 1 30 30 ARG N N 15 12.379 0.866 . . . . 679 ARG N 51126 1 25 . 1 1 31 31 GLY N N 15 17.921 1.254 . . . . 680 GLY N 51126 1 26 . 1 1 39 39 GLU N N 15 20.280 1.420 . . . . 688 GLU N 51126 1 27 . 1 1 41 41 PHE N N 15 19.342 2.611 . . . . 690 PHE N 51126 1 28 . 1 1 42 42 THR N N 15 15.076 1.055 . . . . 691 THR N 51126 1 29 . 1 1 44 44 THR N N 15 15.623 1.093 . . . . 693 THR N 51126 1 30 . 1 1 46 46 ALA N N 15 18.674 2.926 . . . . 695 ALA N 51126 1 31 . 1 1 47 47 PHE N N 15 13.337 0.933 . . . . 696 PHE N 51126 1 32 . 1 1 49 49 ALA N N 15 18.312 1.282 . . . . 698 ALA N 51126 1 33 . 1 1 50 50 LEU N N 15 17.109 1.197 . . . . 699 LEU N 51126 1 34 . 1 1 51 51 GLN N N 15 17.250 3.690 . . . . 700 GLN N 51126 1 35 . 1 1 52 52 TYR N N 15 11.438 0.997 . . . . 701 TYR N 51126 1 36 . 1 1 53 53 LEU N N 15 18.829 1.546 . . . . 702 LEU N 51126 1 37 . 1 1 54 54 GLU N N 15 19.095 1.336 . . . . 703 GLU N 51126 1 38 . 1 1 55 55 SER N N 15 16.975 1.188 . . . . 704 SER N 51126 1 39 . 1 1 56 56 VAL N N 15 17.379 1.332 . . . . 705 VAL N 51126 1 40 . 1 1 57 57 ASP N N 15 16.062 1.124 . . . . 706 ASP N 51126 1 41 . 1 1 58 58 GLU N N 15 13.847 2.109 . . . . 707 GLU N 51126 1 42 . 1 1 60 60 GLY N N 15 17.630 1.694 . . . . 709 GLY N 51126 1 43 . 1 1 61 61 VAL N N 15 18.925 1.324 . . . . 710 VAL N 51126 1 44 . 1 1 63 63 TRP N N 15 16.562 1.159 . . . . 712 TRP N 51126 1 45 . 1 1 65 65 ALA N N 15 16.464 1.152 . . . . 714 ALA N 51126 1 46 . 1 1 66 66 GLY N N 15 14.353 4.841 . . . . 715 GLY N 51126 1 47 . 1 1 67 67 LEU N N 15 19.153 1.456 . . . . 716 LEU N 51126 1 48 . 1 1 68 68 ARG N N 15 13.221 0.974 . . . . 717 ARG N 51126 1 49 . 1 1 70 70 GLY N N 15 22.852 3.259 . . . . 719 GLY N 51126 1 50 . 1 1 71 71 ASP N N 15 16.236 1.136 . . . . 720 ASP N 51126 1 51 . 1 1 72 72 PHE N N 15 15.108 1.134 . . . . 721 PHE N 51126 1 52 . 1 1 73 73 LEU N N 15 13.729 1.300 . . . . 722 LEU N 51126 1 53 . 1 1 74 74 ILE N N 15 14.760 1.033 . . . . 723 ILE N 51126 1 54 . 1 1 75 75 GLU N N 15 16.534 1.157 . . . . 724 GLU N 51126 1 55 . 1 1 76 76 VAL N N 15 16.844 1.179 . . . . 725 VAL N 51126 1 56 . 1 1 77 77 ASN N N 15 17.316 1.676 . . . . 726 ASN N 51126 1 57 . 1 1 78 78 GLY N N 15 13.275 1.190 . . . . 727 GLY N 51126 1 58 . 1 1 79 79 GLN N N 15 14.782 1.035 . . . . 728 GLN N 51126 1 59 . 1 1 80 80 ASN N N 15 14.961 1.047 . . . . 729 ASN N 51126 1 60 . 1 1 81 81 VAL N N 15 19.040 2.603 . . . . 730 VAL N 51126 1 61 . 1 1 82 82 VAL N N 15 16.861 1.180 . . . . 731 VAL N 51126 1 62 . 1 1 83 83 LYS N N 15 16.537 1.157 . . . . 732 LYS N 51126 1 63 . 1 1 84 84 VAL N N 15 16.319 1.142 . . . . 733 VAL N 51126 1 64 . 1 1 85 85 GLY N N 15 15.300 1.071 . . . . 734 GLY N 51126 1 65 . 1 1 86 86 HIS N N 15 15.356 1.075 . . . . 735 HIS N 51126 1 66 . 1 1 87 87 ARG N N 15 15.408 1.078 . . . . 736 ARG N 51126 1 67 . 1 1 89 89 VAL N N 15 14.641 1.025 . . . . 738 VAL N 51126 1 68 . 1 1 90 90 VAL N N 15 15.133 1.059 . . . . 739 VAL N 51126 1 69 . 1 1 91 91 ASN N N 15 15.122 1.058 . . . . 740 ASN N 51126 1 70 . 1 1 92 92 MET N N 15 16.625 1.163 . . . . 741 MET N 51126 1 71 . 1 1 93 93 ILE N N 15 14.565 1.019 . . . . 742 ILE N 51126 1 72 . 1 1 94 94 ARG N N 15 14.130 0.989 . . . . 743 ARG N 51126 1 73 . 1 1 95 95 GLN N N 15 17.109 1.197 . . . . 744 GLN N 51126 1 74 . 1 1 96 96 GLY N N 15 15.601 1.092 . . . . 745 GLY N 51126 1 75 . 1 1 97 97 GLY N N 15 15.699 1.098 . . . . 746 GLY N 51126 1 76 . 1 1 98 98 ASN N N 15 16.756 2.892 . . . . 747 ASN N 51126 1 77 . 1 1 99 99 THR N N 15 15.545 1.088 . . . . 748 THR N 51126 1 78 . 1 1 100 100 LEU N N 15 13.719 1.024 . . . . 749 LEU N 51126 1 79 . 1 1 101 101 MET N N 15 14.837 1.955 . . . . 750 MET N 51126 1 80 . 1 1 102 102 VAL N N 15 15.783 1.105 . . . . 751 VAL N 51126 1 81 . 1 1 103 103 LYS N N 15 15.475 1.083 . . . . 752 LYS N 51126 1 82 . 1 1 104 104 VAL N N 15 15.555 1.089 . . . . 753 VAL N 51126 1 83 . 1 1 105 105 VAL N N 15 14.259 0.998 . . . . 754 VAL N 51126 1 84 . 1 1 106 106 MET N N 15 18.116 1.408 . . . . 755 MET N 51126 1 85 . 1 1 107 107 VAL N N 15 13.827 1.208 . . . . 756 VAL N 51126 1 86 . 1 1 108 108 THR N N 15 13.630 0.954 . . . . 757 THR N 51126 1 87 . 1 1 110 110 HIS N N 15 12.912 0.904 . . . . 759 HIS N 51126 1 88 . 1 1 112 112 ASP N N 15 9.862 0.709 . . . . 761 ASP N 51126 1 89 . 1 1 113 113 MET N N 15 7.502 0.525 . . . . 762 MET N 51126 1 90 . 1 1 116 116 ALA N N 15 3.440 0.241 . . . . 765 ALA N 51126 1 91 . 1 1 117 117 VAL N N 15 3.237 0.227 . . . . 766 VAL N 51126 1 92 . 1 1 118 118 HIS N N 15 3.100 0.217 . . . . 767 HIS N 51126 1 93 . 1 1 119 119 LYS N N 15 1.931 0.135 . . . . 768 LYS N 51126 1 stop_ save_