data_18812 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18812 _Entry.Title ; Solution structure of a DUF3349 annotated protein from Mycobacterium abscessus, MAB_3403c. Seattle Structural Genomics Center for Infectious Disease target Myab.17112.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-30 _Entry.Accession_date 2012-10-30 _Entry.Last_release_date 2012-11-30 _Entry.Original_release_date 2012-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W. . 18812 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 NIAID 'Seattle Structural Genomics Center for Infectious Disease' . 18812 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'infectious diseases' . 18812 'NMR spectroscopy' . 18812 SSGCID . 18812 tuberculosis . 18812 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18812 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 18812 '15N chemical shifts' 96 18812 '1H chemical shifts' 593 18812 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-11-30 2012-10-30 original author . 18812 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M0N 'BMRB Entry Tracking System' 18812 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18812 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Evidence for further structural diversity in the DUF3349 family' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Garry Buchko . W. . 18812 1 2 Stephen Hewitt . N. . 18812 1 3 Wesley 'Van Voorhis' . C . 18812 1 4 Peter Myler . J. . 18812 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18812 _Assembly.ID 1 _Assembly.Name DUF3349 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DUF3349 1 $entity A . yes native no no . . . 18812 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18812 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHMGTLEAQTQGPG SPEGVPPTDRFPLLALLRRT LTEEQVQEVVAKLTDPESSA QIDGVVSKDEIEKFIADVTK DEPTAQDISRVASRLAAGGW PLAGVDSTALNA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13880.615 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M0N . "Solution Structure Of A Duf3349 Annotated Protein From Mycobacterium Abscessus, Mab_3403c. Seattle Structural Genomics Center F" . . . . . 100.00 112 100.00 100.00 1.21e-73 . . . . 18812 1 2 no EMBL CAM63479 . "Conserved hypothetical protein [Mycobacterium abscessus ATCC 19977]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 1 3 no EMBL CPR31135 . "Protein of uncharacterised function (DUF3349) [Mycobacterium abscessus]" . . . . . 83.04 109 97.85 98.92 5.50e-57 . . . . 18812 1 4 no EMBL CPR39159 . "Protein of uncharacterised function (DUF3349) [Mycobacterium abscessus]" . . . . . 83.04 109 97.85 98.92 5.50e-57 . . . . 18812 1 5 no EMBL CPR58306 . "Protein of uncharacterised function (DUF3349) [Mycobacterium abscessus]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 1 6 no EMBL CPR58317 . "Protein of uncharacterised function (DUF3349) [Mycobacterium abscessus]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 1 7 no GB AIC71658 . "hypothetical protein MYCMA_06315 [Mycobacterium abscessus subsp. bolletii str. GO 06]" . . . . . 83.04 109 97.85 98.92 5.50e-57 . . . . 18812 1 8 no GB AIR34563 . "hypothetical protein LA61_17195 [Mycobacterium abscessus subsp. bolletii 103]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 1 9 no GB AIR39442 . "hypothetical protein LA62_17290 [Mycobacterium abscessus subsp. bolletii]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 1 10 no GB AIR42370 . "hypothetical protein LH56_07095 [Mycobacterium abscessus subsp. bolletii]" . . . . . 83.04 109 97.85 98.92 5.50e-57 . . . . 18812 1 11 no GB AIV12161 . "hypothetical protein NF82_17040 [Mycobacterium abscessus subsp. bolletii]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 1 12 no REF WP_005056636 . "hypothetical protein [Mycobacterium abscessus]" . . . . . 83.04 109 97.85 98.92 5.50e-57 . . . . 18812 1 13 no REF WP_005077192 . "MULTISPECIES: hypothetical protein [Mycobacterium]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 1 14 no REF WP_052523625 . "hypothetical protein [Mycobacterium abscessus]" . . . . . 83.04 109 97.85 97.85 3.78e-56 . . . . 18812 1 15 no REF YP_001704133 . "Conserved hypothetical protein [Mycobacterium abscessus]" . . . . . 83.04 109 98.92 98.92 2.86e-57 . . . . 18812 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 . MET . 18812 1 2 . ALA . 18812 1 3 . HIS . 18812 1 4 . HIS . 18812 1 5 . HIS . 18812 1 6 . HIS . 18812 1 7 . HIS . 18812 1 8 . HIS . 18812 1 9 . MET . 18812 1 10 . GLY . 18812 1 11 . THR . 18812 1 12 . LEU . 18812 1 13 . GLU . 18812 1 14 . ALA . 18812 1 15 . GLN . 18812 1 16 . THR . 18812 1 17 . GLN . 18812 1 18 . GLY . 18812 1 19 . PRO . 18812 1 20 . GLY . 18812 1 21 . SER . 18812 1 22 . PRO . 18812 1 23 . GLU . 18812 1 24 . GLY . 18812 1 25 . VAL . 18812 1 26 . PRO . 18812 1 27 . PRO . 18812 1 28 . THR . 18812 1 29 . ASP . 18812 1 30 . ARG . 18812 1 31 . PHE . 18812 1 32 . PRO . 18812 1 33 . LEU . 18812 1 34 . LEU . 18812 1 35 . ALA . 18812 1 36 . LEU . 18812 1 37 . LEU . 18812 1 38 . ARG . 18812 1 39 . ARG . 18812 1 40 . THR . 18812 1 41 . LEU . 18812 1 42 . THR . 18812 1 43 . GLU . 18812 1 44 . GLU . 18812 1 45 . GLN . 18812 1 46 . VAL . 18812 1 47 . GLN . 18812 1 48 . GLU . 18812 1 49 . VAL . 18812 1 50 . VAL . 18812 1 51 . ALA . 18812 1 52 . LYS . 18812 1 53 . LEU . 18812 1 54 . THR . 18812 1 55 . ASP . 18812 1 56 . PRO . 18812 1 57 . GLU . 18812 1 58 . SER . 18812 1 59 . SER . 18812 1 60 . ALA . 18812 1 61 . GLN . 18812 1 62 . ILE . 18812 1 63 . ASP . 18812 1 64 . GLY . 18812 1 65 . VAL . 18812 1 66 . VAL . 18812 1 67 . SER . 18812 1 68 . LYS . 18812 1 69 . ASP . 18812 1 70 . GLU . 18812 1 71 . ILE . 18812 1 72 . GLU . 18812 1 73 . LYS . 18812 1 74 . PHE . 18812 1 75 . ILE . 18812 1 76 . ALA . 18812 1 77 . ASP . 18812 1 78 . VAL . 18812 1 79 . THR . 18812 1 80 . LYS . 18812 1 81 . ASP . 18812 1 82 . GLU . 18812 1 83 . PRO . 18812 1 84 . THR . 18812 1 85 . ALA . 18812 1 86 . GLN . 18812 1 87 . ASP . 18812 1 88 . ILE . 18812 1 89 . SER . 18812 1 90 . ARG . 18812 1 91 . VAL . 18812 1 92 . ALA . 18812 1 93 . SER . 18812 1 94 . ARG . 18812 1 95 . LEU . 18812 1 96 . ALA . 18812 1 97 . ALA . 18812 1 98 . GLY . 18812 1 99 . GLY . 18812 1 100 . TRP . 18812 1 101 . PRO . 18812 1 102 . LEU . 18812 1 103 . ALA . 18812 1 104 . GLY . 18812 1 105 . VAL . 18812 1 106 . ASP . 18812 1 107 . SER . 18812 1 108 . THR . 18812 1 109 . ALA . 18812 1 110 . LEU . 18812 1 111 . ASN . 18812 1 112 . ALA . 18812 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18812 1 . ALA 2 2 18812 1 . HIS 3 3 18812 1 . HIS 4 4 18812 1 . HIS 5 5 18812 1 . HIS 6 6 18812 1 . HIS 7 7 18812 1 . HIS 8 8 18812 1 . MET 9 9 18812 1 . GLY 10 10 18812 1 . THR 11 11 18812 1 . LEU 12 12 18812 1 . GLU 13 13 18812 1 . ALA 14 14 18812 1 . GLN 15 15 18812 1 . THR 16 16 18812 1 . GLN 17 17 18812 1 . GLY 18 18 18812 1 . PRO 19 19 18812 1 . GLY 20 20 18812 1 . SER 21 21 18812 1 . PRO 22 22 18812 1 . GLU 23 23 18812 1 . GLY 24 24 18812 1 . VAL 25 25 18812 1 . PRO 26 26 18812 1 . PRO 27 27 18812 1 . THR 28 28 18812 1 . ASP 29 29 18812 1 . ARG 30 30 18812 1 . PHE 31 31 18812 1 . PRO 32 32 18812 1 . LEU 33 33 18812 1 . LEU 34 34 18812 1 . ALA 35 35 18812 1 . LEU 36 36 18812 1 . LEU 37 37 18812 1 . ARG 38 38 18812 1 . ARG 39 39 18812 1 . THR 40 40 18812 1 . LEU 41 41 18812 1 . THR 42 42 18812 1 . GLU 43 43 18812 1 . GLU 44 44 18812 1 . GLN 45 45 18812 1 . VAL 46 46 18812 1 . GLN 47 47 18812 1 . GLU 48 48 18812 1 . VAL 49 49 18812 1 . VAL 50 50 18812 1 . ALA 51 51 18812 1 . LYS 52 52 18812 1 . LEU 53 53 18812 1 . THR 54 54 18812 1 . ASP 55 55 18812 1 . PRO 56 56 18812 1 . GLU 57 57 18812 1 . SER 58 58 18812 1 . SER 59 59 18812 1 . ALA 60 60 18812 1 . GLN 61 61 18812 1 . ILE 62 62 18812 1 . ASP 63 63 18812 1 . GLY 64 64 18812 1 . VAL 65 65 18812 1 . VAL 66 66 18812 1 . SER 67 67 18812 1 . LYS 68 68 18812 1 . ASP 69 69 18812 1 . GLU 70 70 18812 1 . ILE 71 71 18812 1 . GLU 72 72 18812 1 . LYS 73 73 18812 1 . PHE 74 74 18812 1 . ILE 75 75 18812 1 . ALA 76 76 18812 1 . ASP 77 77 18812 1 . VAL 78 78 18812 1 . THR 79 79 18812 1 . LYS 80 80 18812 1 . ASP 81 81 18812 1 . GLU 82 82 18812 1 . PRO 83 83 18812 1 . THR 84 84 18812 1 . ALA 85 85 18812 1 . GLN 86 86 18812 1 . ASP 87 87 18812 1 . ILE 88 88 18812 1 . SER 89 89 18812 1 . ARG 90 90 18812 1 . VAL 91 91 18812 1 . ALA 92 92 18812 1 . SER 93 93 18812 1 . ARG 94 94 18812 1 . LEU 95 95 18812 1 . ALA 96 96 18812 1 . ALA 97 97 18812 1 . GLY 98 98 18812 1 . GLY 99 99 18812 1 . TRP 100 100 18812 1 . PRO 101 101 18812 1 . LEU 102 102 18812 1 . ALA 103 103 18812 1 . GLY 104 104 18812 1 . VAL 105 105 18812 1 . ASP 106 106 18812 1 . SER 107 107 18812 1 . THR 108 108 18812 1 . ALA 109 109 18812 1 . LEU 110 110 18812 1 . ASN 111 111 18812 1 . ALA 112 112 18812 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18812 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 36809 organism . 'Mycobacterium abscessus' 'Mycobacterium abscessus' . . Bacteria . Mycobacterium abscessus 'ATCC 19977' . . . . . . . . . . . . . . . MAB_3403c . . . . 18812 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18812 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . AVA0421 . . . . . . 18812 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18812 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.0 . . mM 0.2 . . . 18812 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18812 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 18812 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18812 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18812 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.0 . . mM 0.2 . . . 18812 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18812 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 18812 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18812 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 18812 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 0.05 M 18812 1 pH 7.0 0.1 pH 18812 1 pressure 1 . atm 18812 1 temperature 293 0.5 K 18812 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18812 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18812 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'water refinement' 18812 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18812 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18812 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18812 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18812 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18812 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18812 3 'peak picking' 18812 3 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18812 _Software.ID 4 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18812 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18812 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18812 _Software.ID 5 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18812 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18812 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18812 _Software.ID 6 _Software.Name TALOS _Software.Version + _Software.Details 'Talos+ Server' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18812 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18812 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18812 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18812 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18812 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18812 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18812 1 2 spectrometer_2 Varian INOVA . 750 . . . 18812 1 3 spectrometer_3 Varian INOVA . 800 . . . 18812 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18812 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18812 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18812 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18812 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18812 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18812 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18812 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18812 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18812 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18812 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18812 1 11 '2D HBCBCGCDCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18812 1 12 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18812 1 13 'deuterium exchange' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18812 1 14 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18812 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18812 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18812 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18812 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18812 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18812 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 2 '3D C(CO)NH' . . . 18812 1 5 '3D HNCO' . . . 18812 1 6 '3D 1H-13C NOESY aliphatic' . . . 18812 1 7 '2D 1H-13C HSQC aromatic' . . . 18812 1 8 '3D 1H-15N NOESY' . . . 18812 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 10 10 GLY H H 1 8.50 0.02 . 1 . . . A 10 GLY H . 18812 1 2 . 1 1 10 10 GLY HA2 H 1 4.02 0.02 . 2 . . . A 10 GLY HA2 . 18812 1 3 . 1 1 10 10 GLY HA3 H 1 4.02 0.02 . 2 . . . A 10 GLY HA3 . 18812 1 4 . 1 1 10 10 GLY C C 13 174.1 0.2 . 1 . . . A 10 GLY C . 18812 1 5 . 1 1 10 10 GLY CA C 13 45.3 0.2 . 1 . . . A 10 GLY CA . 18812 1 6 . 1 1 11 11 THR H H 1 8.10 0.02 . 1 . . . A 11 THR H . 18812 1 7 . 1 1 11 11 THR HA H 1 4.35 0.02 . 1 . . . A 11 THR HA . 18812 1 8 . 1 1 11 11 THR HB H 1 4.25 0.02 . 1 . . . A 11 THR HB . 18812 1 9 . 1 1 11 11 THR HG21 H 1 1.21 0.02 . 1 . . . A 11 THR HG21 . 18812 1 10 . 1 1 11 11 THR HG22 H 1 1.21 0.02 . 1 . . . A 11 THR HG22 . 18812 1 11 . 1 1 11 11 THR HG23 H 1 1.21 0.02 . 1 . . . A 11 THR HG23 . 18812 1 12 . 1 1 11 11 THR C C 13 174.7 0.2 . 1 . . . A 11 THR C . 18812 1 13 . 1 1 11 11 THR CA C 13 62.0 0.2 . 1 . . . A 11 THR CA . 18812 1 14 . 1 1 11 11 THR CB C 13 69.8 0.2 . 1 . . . A 11 THR CB . 18812 1 15 . 1 1 11 11 THR CG2 C 13 21.4 0.2 . 1 . . . A 11 THR CG2 . 18812 1 16 . 1 1 11 11 THR N N 15 113.7 0.2 . 1 . . . A 11 THR N . 18812 1 17 . 1 1 12 12 LEU H H 1 8.38 0.02 . 1 . . . A 12 LEU H . 18812 1 18 . 1 1 12 12 LEU C C 13 177.6 0.2 . 1 . . . A 12 LEU C . 18812 1 19 . 1 1 12 12 LEU CA C 13 55.4 0.2 . 1 . . . A 12 LEU CA . 18812 1 20 . 1 1 12 12 LEU CB C 13 42.0 0.2 . 1 . . . A 12 LEU CB . 18812 1 21 . 1 1 12 12 LEU N N 15 124.1 0.2 . 1 . . . A 12 LEU N . 18812 1 22 . 1 1 13 13 GLU H H 1 8.44 0.02 . 1 . . . A 13 GLU H . 18812 1 23 . 1 1 13 13 GLU HA H 1 4.22 0.02 . 1 . . . A 13 GLU HA . 18812 1 24 . 1 1 13 13 GLU HB2 H 1 2.06 0.02 . 2 . . . A 13 GLU HB2 . 18812 1 25 . 1 1 13 13 GLU HB3 H 1 1.99 0.02 . 2 . . . A 13 GLU HB3 . 18812 1 26 . 1 1 13 13 GLU HG2 H 1 2.28 0.02 . 2 . . . A 13 GLU HG2 . 18812 1 27 . 1 1 13 13 GLU HG3 H 1 2.28 0.02 . 2 . . . A 13 GLU HG3 . 18812 1 28 . 1 1 13 13 GLU C C 13 176.3 0.2 . 1 . . . A 13 GLU C . 18812 1 29 . 1 1 13 13 GLU CA C 13 56.9 0.2 . 1 . . . A 13 GLU CA . 18812 1 30 . 1 1 13 13 GLU CB C 13 29.6 0.2 . 1 . . . A 13 GLU CB . 18812 1 31 . 1 1 13 13 GLU CG C 13 36.3 0.2 . 1 . . . A 13 GLU CG . 18812 1 32 . 1 1 13 13 GLU N N 15 121.5 0.2 . 1 . . . A 13 GLU N . 18812 1 33 . 1 1 14 14 ALA H H 1 8.28 0.02 . 1 . . . A 14 ALA H . 18812 1 34 . 1 1 14 14 ALA CA C 13 52.6 0.2 . 1 . . . A 14 ALA CA . 18812 1 35 . 1 1 14 14 ALA CB C 13 19.0 0.2 . 1 . . . A 14 ALA CB . 18812 1 36 . 1 1 14 14 ALA N N 15 124.3 0.2 . 1 . . . A 14 ALA N . 18812 1 37 . 1 1 15 15 GLN H H 1 8.36 0.02 . 1 . . . A 15 GLN H . 18812 1 38 . 1 1 15 15 GLN HA H 1 4.40 0.02 . 1 . . . A 15 GLN HA . 18812 1 39 . 1 1 15 15 GLN C C 13 176.3 0.2 . 1 . . . A 15 GLN C . 18812 1 40 . 1 1 15 15 GLN CA C 13 55.8 0.2 . 1 . . . A 15 GLN CA . 18812 1 41 . 1 1 15 15 GLN CB C 13 29.3 0.2 . 1 . . . A 15 GLN CB . 18812 1 42 . 1 1 15 15 GLN CG C 13 33.7 0.2 . 1 . . . A 15 GLN CG . 18812 1 43 . 1 1 15 15 GLN N N 15 118.7 0.2 . 1 . . . A 15 GLN N . 18812 1 44 . 1 1 16 16 THR H H 1 8.20 0.02 . 1 . . . A 16 THR H . 18812 1 45 . 1 1 16 16 THR C C 13 174.4 0.2 . 1 . . . A 16 THR C . 18812 1 46 . 1 1 16 16 THR CA C 13 62.0 0.2 . 1 . . . A 16 THR CA . 18812 1 47 . 1 1 16 16 THR CB C 13 69.7 0.2 . 1 . . . A 16 THR CB . 18812 1 48 . 1 1 16 16 THR CG2 C 13 21.4 0.2 . 1 . . . A 16 THR CG2 . 18812 1 49 . 1 1 16 16 THR N N 15 114.8 0.2 . 1 . . . A 16 THR N . 18812 1 50 . 1 1 17 17 GLN H H 1 8.43 0.02 . 1 . . . A 17 GLN H . 18812 1 51 . 1 1 17 17 GLN C C 13 175.9 0.2 . 1 . . . A 17 GLN C . 18812 1 52 . 1 1 17 17 GLN CA C 13 55.5 0.2 . 1 . . . A 17 GLN CA . 18812 1 53 . 1 1 17 17 GLN CB C 13 29.6 0.2 . 1 . . . A 17 GLN CB . 18812 1 54 . 1 1 17 17 GLN CG C 13 33.6 0.2 . 1 . . . A 17 GLN CG . 18812 1 55 . 1 1 17 17 GLN N N 15 122.2 0.2 . 1 . . . A 17 GLN N . 18812 1 56 . 1 1 18 18 GLY H H 1 8.36 0.02 . 1 . . . A 18 GLY H . 18812 1 57 . 1 1 18 18 GLY HA2 H 1 4.17 0.02 . 2 . . . A 18 GLY HA2 . 18812 1 58 . 1 1 18 18 GLY HA3 H 1 4.10 0.02 . 2 . . . A 18 GLY HA3 . 18812 1 59 . 1 1 18 18 GLY CA C 13 44.5 0.2 . 1 . . . A 18 GLY CA . 18812 1 60 . 1 1 18 18 GLY N N 15 110.1 0.2 . 1 . . . A 18 GLY N . 18812 1 61 . 1 1 19 19 PRO HA H 1 4.46 0.02 . 1 . . . A 19 PRO HA . 18812 1 62 . 1 1 19 19 PRO HD2 H 1 3.68 0.02 . 2 . . . A 19 PRO HD2 . 18812 1 63 . 1 1 19 19 PRO HD3 H 1 3.65 0.02 . 2 . . . A 19 PRO HD3 . 18812 1 64 . 1 1 19 19 PRO C C 13 177.7 0.2 . 1 . . . A 19 PRO C . 18812 1 65 . 1 1 19 19 PRO CA C 13 63.6 0.2 . 1 . . . A 19 PRO CA . 18812 1 66 . 1 1 19 19 PRO CB C 13 31.9 0.2 . 1 . . . A 19 PRO CB . 18812 1 67 . 1 1 19 19 PRO CG C 13 27.0 0.2 . 1 . . . A 19 PRO CG . 18812 1 68 . 1 1 19 19 PRO CD C 13 49.8 0.2 . 1 . . . A 19 PRO CD . 18812 1 69 . 1 1 20 20 GLY H H 1 8.63 0.02 . 1 . . . A 20 GLY H . 18812 1 70 . 1 1 20 20 GLY HA2 H 1 3.99 0.02 . 2 . . . A 20 GLY HA2 . 18812 1 71 . 1 1 20 20 GLY HA3 H 1 3.99 0.02 . 2 . . . A 20 GLY HA3 . 18812 1 72 . 1 1 20 20 GLY C C 13 174.1 0.2 . 1 . . . A 20 GLY C . 18812 1 73 . 1 1 20 20 GLY CA C 13 45.2 0.2 . 1 . . . A 20 GLY CA . 18812 1 74 . 1 1 20 20 GLY N N 15 109.6 0.2 . 1 . . . A 20 GLY N . 18812 1 75 . 1 1 21 21 SER H H 1 8.15 0.02 . 1 . . . A 21 SER H . 18812 1 76 . 1 1 21 21 SER HA H 1 4.46 0.02 . 1 . . . A 21 SER HA . 18812 1 77 . 1 1 21 21 SER HB2 H 1 3.86 0.02 . 2 . . . A 21 SER HB2 . 18812 1 78 . 1 1 21 21 SER HB3 H 1 3.86 0.02 . 2 . . . A 21 SER HB3 . 18812 1 79 . 1 1 21 21 SER C C 13 174.1 0.2 . 1 . . . A 21 SER C . 18812 1 80 . 1 1 21 21 SER CA C 13 58.3 0.1 . 1 . . . A 21 SER CA . 18812 1 81 . 1 1 21 21 SER CB C 13 63.9 0.2 . 1 . . . A 21 SER CB . 18812 1 82 . 1 1 21 21 SER N N 15 115.3 0.2 . 1 . . . A 21 SER N . 18812 1 83 . 1 1 22 22 PRO HA H 1 4.44 0.02 . 1 . . . A 22 PRO HA . 18812 1 84 . 1 1 22 22 PRO HB2 H 1 2.31 0.02 . 2 . . . A 22 PRO HB2 . 18812 1 85 . 1 1 22 22 PRO HB3 H 1 1.92 0.02 . 2 . . . A 22 PRO HB3 . 18812 1 86 . 1 1 22 22 PRO HG2 H 1 2.06 0.02 . 2 . . . A 22 PRO HG2 . 18812 1 87 . 1 1 22 22 PRO HG3 H 1 2.06 0.02 . 2 . . . A 22 PRO HG3 . 18812 1 88 . 1 1 22 22 PRO HD2 H 1 3.70 0.02 . 2 . . . A 22 PRO HD2 . 18812 1 89 . 1 1 22 22 PRO HD3 H 1 3.86 0.02 . 2 . . . A 22 PRO HD3 . 18812 1 90 . 1 1 22 22 PRO C C 13 176.8 0.2 . 1 . . . A 22 PRO C . 18812 1 91 . 1 1 22 22 PRO CA C 13 63.1 0.2 . 1 . . . A 22 PRO CA . 18812 1 92 . 1 1 22 22 PRO CB C 13 32.1 0.2 . 1 . . . A 22 PRO CB . 18812 1 93 . 1 1 22 22 PRO CG C 13 27.1 0.2 . 1 . . . A 22 PRO CG . 18812 1 94 . 1 1 22 22 PRO CD C 13 50.5 0.2 . 1 . . . A 22 PRO CD . 18812 1 95 . 1 1 23 23 GLU H H 1 8.63 0.02 . 1 . . . A 23 GLU H . 18812 1 96 . 1 1 23 23 GLU HA H 1 4.28 0.02 . 1 . . . A 23 GLU HA . 18812 1 97 . 1 1 23 23 GLU HB2 H 1 2.07 0.02 . 2 . . . A 23 GLU HB2 . 18812 1 98 . 1 1 23 23 GLU HB3 H 1 1.98 0.02 . 2 . . . A 23 GLU HB3 . 18812 1 99 . 1 1 23 23 GLU HG2 H 1 2.32 0.02 . 2 . . . A 23 GLU HG2 . 18812 1 100 . 1 1 23 23 GLU HG3 H 1 2.32 0.02 . 2 . . . A 23 GLU HG3 . 18812 1 101 . 1 1 23 23 GLU C C 13 177.0 0.2 . 1 . . . A 23 GLU C . 18812 1 102 . 1 1 23 23 GLU CA C 13 56.6 0.2 . 1 . . . A 23 GLU CA . 18812 1 103 . 1 1 23 23 GLU CB C 13 30.4 0.2 . 1 . . . A 23 GLU CB . 18812 1 104 . 1 1 23 23 GLU CG C 13 36.1 0.2 . 1 . . . A 23 GLU CG . 18812 1 105 . 1 1 23 23 GLU N N 15 120.9 0.2 . 1 . . . A 23 GLU N . 18812 1 106 . 1 1 24 24 GLY H H 1 8.45 0.02 . 1 . . . A 24 GLY H . 18812 1 107 . 1 1 24 24 GLY HA2 H 1 3.97 0.02 . 2 . . . A 24 GLY HA2 . 18812 1 108 . 1 1 24 24 GLY HA3 H 1 3.97 0.02 . 2 . . . A 24 GLY HA3 . 18812 1 109 . 1 1 24 24 GLY C C 13 173.6 0.2 . 1 . . . A 24 GLY C . 18812 1 110 . 1 1 24 24 GLY CA C 13 45.1 0.2 . 1 . . . A 24 GLY CA . 18812 1 111 . 1 1 24 24 GLY N N 15 109.8 0.2 . 1 . . . A 24 GLY N . 18812 1 112 . 1 1 25 25 VAL H H 1 7.99 0.02 . 1 . . . A 25 VAL H . 18812 1 113 . 1 1 25 25 VAL HA H 1 4.46 0.02 . 1 . . . A 25 VAL HA . 18812 1 114 . 1 1 25 25 VAL HB H 1 2.08 0.02 . 1 . . . A 25 VAL HB . 18812 1 115 . 1 1 25 25 VAL HG11 H 1 0.99 0.02 . 2 . . . A 25 VAL HG11 . 18812 1 116 . 1 1 25 25 VAL HG12 H 1 0.99 0.02 . 2 . . . A 25 VAL HG12 . 18812 1 117 . 1 1 25 25 VAL HG13 H 1 0.99 0.02 . 2 . . . A 25 VAL HG13 . 18812 1 118 . 1 1 25 25 VAL HG21 H 1 0.99 0.02 . 2 . . . A 25 VAL HG21 . 18812 1 119 . 1 1 25 25 VAL HG22 H 1 0.99 0.02 . 2 . . . A 25 VAL HG22 . 18812 1 120 . 1 1 25 25 VAL HG23 H 1 0.99 0.02 . 2 . . . A 25 VAL HG23 . 18812 1 121 . 1 1 25 25 VAL CA C 13 59.7 0.2 . 1 . . . A 25 VAL CA . 18812 1 122 . 1 1 25 25 VAL CB C 13 32.6 0.2 . 1 . . . A 25 VAL CB . 18812 1 123 . 1 1 25 25 VAL CG1 C 13 21.0 0.2 . 2 . . . A 25 VAL CG1 . 18812 1 124 . 1 1 25 25 VAL CG2 C 13 21.0 0.2 . 2 . . . A 25 VAL CG2 . 18812 1 125 . 1 1 25 25 VAL N N 15 120.6 0.2 . 1 . . . A 25 VAL N . 18812 1 126 . 1 1 26 26 PRO HD2 H 1 3.95 0.02 . 2 . . . A 26 PRO HD2 . 18812 1 127 . 1 1 26 26 PRO HD3 H 1 3.70 0.02 . 2 . . . A 26 PRO HD3 . 18812 1 128 . 1 1 26 26 PRO CD C 13 50.9 0.2 . 1 . . . A 26 PRO CD . 18812 1 129 . 1 1 27 27 PRO HA H 1 4.52 0.02 . 1 . . . A 27 PRO HA . 18812 1 130 . 1 1 27 27 PRO HB2 H 1 2.34 0.02 . 2 . . . A 27 PRO HB2 . 18812 1 131 . 1 1 27 27 PRO HB3 H 1 2.34 0.02 . 2 . . . A 27 PRO HB3 . 18812 1 132 . 1 1 27 27 PRO HG2 H 1 2.08 0.02 . 2 . . . A 27 PRO HG2 . 18812 1 133 . 1 1 27 27 PRO HG3 H 1 2.08 0.02 . 2 . . . A 27 PRO HG3 . 18812 1 134 . 1 1 27 27 PRO HD2 H 1 3.85 0.02 . 2 . . . A 27 PRO HD2 . 18812 1 135 . 1 1 27 27 PRO HD3 H 1 3.70 0.02 . 2 . . . A 27 PRO HD3 . 18812 1 136 . 1 1 27 27 PRO C C 13 177.2 0.2 . 1 . . . A 27 PRO C . 18812 1 137 . 1 1 27 27 PRO CA C 13 63.1 0.2 . 1 . . . A 27 PRO CA . 18812 1 138 . 1 1 27 27 PRO CB C 13 32.0 0.2 . 1 . . . A 27 PRO CB . 18812 1 139 . 1 1 27 27 PRO CG C 13 27.5 0.2 . 1 . . . A 27 PRO CG . 18812 1 140 . 1 1 28 28 THR H H 1 8.16 0.02 . 1 . . . A 28 THR H . 18812 1 141 . 1 1 28 28 THR HA H 1 4.27 0.02 . 1 . . . A 28 THR HA . 18812 1 142 . 1 1 28 28 THR HB H 1 4.25 0.02 . 1 . . . A 28 THR HB . 18812 1 143 . 1 1 28 28 THR HG21 H 1 1.24 0.02 . 1 . . . A 28 THR HG21 . 18812 1 144 . 1 1 28 28 THR HG22 H 1 1.24 0.02 . 1 . . . A 28 THR HG22 . 18812 1 145 . 1 1 28 28 THR HG23 H 1 1.24 0.02 . 1 . . . A 28 THR HG23 . 18812 1 146 . 1 1 28 28 THR C C 13 174.4 0.2 . 1 . . . A 28 THR C . 18812 1 147 . 1 1 28 28 THR CA C 13 62.0 0.2 . 1 . . . A 28 THR CA . 18812 1 148 . 1 1 28 28 THR CB C 13 69.7 0.2 . 1 . . . A 28 THR CB . 18812 1 149 . 1 1 28 28 THR CG2 C 13 21.6 0.2 . 1 . . . A 28 THR CG2 . 18812 1 150 . 1 1 28 28 THR N N 15 113.0 0.2 . 1 . . . A 28 THR N . 18812 1 151 . 1 1 29 29 ASP H H 1 8.29 0.02 . 1 . . . A 29 ASP H . 18812 1 152 . 1 1 29 29 ASP HA H 1 4.58 0.02 . 1 . . . A 29 ASP HA . 18812 1 153 . 1 1 29 29 ASP HB2 H 1 2.62 0.02 . 2 . . . A 29 ASP HB2 . 18812 1 154 . 1 1 29 29 ASP HB3 H 1 2.62 0.02 . 2 . . . A 29 ASP HB3 . 18812 1 155 . 1 1 29 29 ASP CA C 13 54.3 0.2 . 1 . . . A 29 ASP CA . 18812 1 156 . 1 1 29 29 ASP CB C 13 40.9 0.2 . 1 . . . A 29 ASP CB . 18812 1 157 . 1 1 29 29 ASP N N 15 122.1 0.2 . 1 . . . A 29 ASP N . 18812 1 158 . 1 1 30 30 ARG H H 1 8.07 0.02 . 1 . . . A 30 ARG H . 18812 1 159 . 1 1 30 30 ARG HA H 1 4.19 0.02 . 1 . . . A 30 ARG HA . 18812 1 160 . 1 1 30 30 ARG HB2 H 1 1.62 0.02 . 2 . . . A 30 ARG HB2 . 18812 1 161 . 1 1 30 30 ARG HB3 H 1 1.62 0.02 . 2 . . . A 30 ARG HB3 . 18812 1 162 . 1 1 30 30 ARG HG2 H 1 1.48 0.02 . 2 . . . A 30 ARG HG2 . 18812 1 163 . 1 1 30 30 ARG HG3 H 1 1.41 0.02 . 2 . . . A 30 ARG HG3 . 18812 1 164 . 1 1 30 30 ARG HD2 H 1 3.12 0.02 . 2 . . . A 30 ARG HD2 . 18812 1 165 . 1 1 30 30 ARG HD3 H 1 3.12 0.02 . 2 . . . A 30 ARG HD3 . 18812 1 166 . 1 1 30 30 ARG C C 13 175.6 0.2 . 1 . . . A 30 ARG C . 18812 1 167 . 1 1 30 30 ARG CA C 13 56.2 0.2 . 1 . . . A 30 ARG CA . 18812 1 168 . 1 1 30 30 ARG CB C 13 30.8 0.2 . 1 . . . A 30 ARG CB . 18812 1 169 . 1 1 30 30 ARG CG C 13 27.0 0.2 . 1 . . . A 30 ARG CG . 18812 1 170 . 1 1 30 30 ARG CD C 13 43.2 0.2 . 1 . . . A 30 ARG CD . 18812 1 171 . 1 1 30 30 ARG N N 15 120.3 0.2 . 1 . . . A 30 ARG N . 18812 1 172 . 1 1 31 31 PHE H H 1 8.24 0.02 . 1 . . . A 31 PHE H . 18812 1 173 . 1 1 31 31 PHE HB2 H 1 3.20 0.02 . 2 . . . A 31 PHE HB2 . 18812 1 174 . 1 1 31 31 PHE HB3 H 1 2.98 0.02 . 2 . . . A 31 PHE HB3 . 18812 1 175 . 1 1 31 31 PHE HD1 H 1 7.31 0.02 . 3 . . . A 31 PHE HD1 . 18812 1 176 . 1 1 31 31 PHE HD2 H 1 7.31 0.02 . 3 . . . A 31 PHE HD2 . 18812 1 177 . 1 1 31 31 PHE CB C 13 38.8 0.2 . 1 . . . A 31 PHE CB . 18812 1 178 . 1 1 31 31 PHE CD1 C 13 132.1 0.2 . 3 . . . A 31 PHE CD1 . 18812 1 179 . 1 1 31 31 PHE CD2 C 13 132.1 0.2 . 3 . . . A 31 PHE CD2 . 18812 1 180 . 1 1 31 31 PHE N N 15 120.5 0.2 . 1 . . . A 31 PHE N . 18812 1 181 . 1 1 32 32 PRO HA H 1 4.44 0.02 . 1 . . . A 32 PRO HA . 18812 1 182 . 1 1 32 32 PRO HB2 H 1 2.30 0.02 . 2 . . . A 32 PRO HB2 . 18812 1 183 . 1 1 32 32 PRO HB3 H 1 1.92 0.02 . 2 . . . A 32 PRO HB3 . 18812 1 184 . 1 1 32 32 PRO HG2 H 1 2.02 0.02 . 2 . . . A 32 PRO HG2 . 18812 1 185 . 1 1 32 32 PRO HG3 H 1 2.02 0.02 . 2 . . . A 32 PRO HG3 . 18812 1 186 . 1 1 32 32 PRO HD2 H 1 3.71 0.02 . 2 . . . A 32 PRO HD2 . 18812 1 187 . 1 1 32 32 PRO HD3 H 1 3.61 0.02 . 2 . . . A 32 PRO HD3 . 18812 1 188 . 1 1 32 32 PRO C C 13 177.2 0.2 . 1 . . . A 32 PRO C . 18812 1 189 . 1 1 32 32 PRO CA C 13 63.4 0.2 . 1 . . . A 32 PRO CA . 18812 1 190 . 1 1 32 32 PRO CB C 13 31.7 0.2 . 1 . . . A 32 PRO CB . 18812 1 191 . 1 1 32 32 PRO CG C 13 27.4 0.2 . 1 . . . A 32 PRO CG . 18812 1 192 . 1 1 32 32 PRO CD C 13 50.5 0.2 . 1 . . . A 32 PRO CD . 18812 1 193 . 1 1 33 33 LEU H H 1 8.29 0.02 . 1 . . . A 33 LEU H . 18812 1 194 . 1 1 33 33 LEU HA H 1 4.33 0.02 . 1 . . . A 33 LEU HA . 18812 1 195 . 1 1 33 33 LEU HB2 H 1 1.70 0.02 . 2 . . . A 33 LEU HB2 . 18812 1 196 . 1 1 33 33 LEU HB3 H 1 1.70 0.02 . 2 . . . A 33 LEU HB3 . 18812 1 197 . 1 1 33 33 LEU HG H 1 1.66 0.02 . 1 . . . A 33 LEU HG . 18812 1 198 . 1 1 33 33 LEU HD11 H 1 0.96 0.02 . 2 . . . A 33 LEU HD11 . 18812 1 199 . 1 1 33 33 LEU HD12 H 1 0.96 0.02 . 2 . . . A 33 LEU HD12 . 18812 1 200 . 1 1 33 33 LEU HD13 H 1 0.96 0.02 . 2 . . . A 33 LEU HD13 . 18812 1 201 . 1 1 33 33 LEU HD21 H 1 0.96 0.02 . 2 . . . A 33 LEU HD21 . 18812 1 202 . 1 1 33 33 LEU HD22 H 1 0.96 0.02 . 2 . . . A 33 LEU HD22 . 18812 1 203 . 1 1 33 33 LEU HD23 H 1 0.96 0.02 . 2 . . . A 33 LEU HD23 . 18812 1 204 . 1 1 33 33 LEU CA C 13 55.6 0.2 . 1 . . . A 33 LEU CA . 18812 1 205 . 1 1 33 33 LEU CB C 13 42.1 0.2 . 1 . . . A 33 LEU CB . 18812 1 206 . 1 1 33 33 LEU CG C 13 26.9 0.2 . 1 . . . A 33 LEU CG . 18812 1 207 . 1 1 33 33 LEU N N 15 121.0 0.2 . 1 . . . A 33 LEU N . 18812 1 208 . 1 1 34 34 LEU H H 1 8.11 0.02 . 1 . . . A 34 LEU H . 18812 1 209 . 1 1 34 34 LEU HA H 1 4.31 0.02 . 1 . . . A 34 LEU HA . 18812 1 210 . 1 1 34 34 LEU HD11 H 1 0.93 0.02 . 2 . . . A 34 LEU HD11 . 18812 1 211 . 1 1 34 34 LEU HD12 H 1 0.93 0.02 . 2 . . . A 34 LEU HD12 . 18812 1 212 . 1 1 34 34 LEU HD13 H 1 0.93 0.02 . 2 . . . A 34 LEU HD13 . 18812 1 213 . 1 1 34 34 LEU HD21 H 1 0.93 0.02 . 2 . . . A 34 LEU HD21 . 18812 1 214 . 1 1 34 34 LEU HD22 H 1 0.93 0.02 . 2 . . . A 34 LEU HD22 . 18812 1 215 . 1 1 34 34 LEU HD23 H 1 0.93 0.02 . 2 . . . A 34 LEU HD23 . 18812 1 216 . 1 1 34 34 LEU C C 13 177.3 0.2 . 1 . . . A 34 LEU C . 18812 1 217 . 1 1 34 34 LEU CA C 13 55.2 0.2 . 1 . . . A 34 LEU CA . 18812 1 218 . 1 1 34 34 LEU CB C 13 41.9 0.2 . 1 . . . A 34 LEU CB . 18812 1 219 . 1 1 34 34 LEU CG C 13 26.9 0.2 . 1 . . . A 34 LEU CG . 18812 1 220 . 1 1 34 34 LEU N N 15 122.1 0.2 . 1 . . . A 34 LEU N . 18812 1 221 . 1 1 35 35 ALA H H 1 8.14 0.02 . 1 . . . A 35 ALA H . 18812 1 222 . 1 1 35 35 ALA HA H 1 4.28 0.02 . 1 . . . A 35 ALA HA . 18812 1 223 . 1 1 35 35 ALA HB1 H 1 1.41 0.02 . 1 . . . A 35 ALA HB1 . 18812 1 224 . 1 1 35 35 ALA HB2 H 1 1.41 0.02 . 1 . . . A 35 ALA HB2 . 18812 1 225 . 1 1 35 35 ALA HB3 H 1 1.41 0.02 . 1 . . . A 35 ALA HB3 . 18812 1 226 . 1 1 35 35 ALA C C 13 177.6 0.2 . 1 . . . A 35 ALA C . 18812 1 227 . 1 1 35 35 ALA CA C 13 52.7 0.2 . 1 . . . A 35 ALA CA . 18812 1 228 . 1 1 35 35 ALA CB C 13 18.8 0.2 . 1 . . . A 35 ALA CB . 18812 1 229 . 1 1 35 35 ALA N N 15 123.4 0.2 . 1 . . . A 35 ALA N . 18812 1 230 . 1 1 36 36 LEU H H 1 7.99 0.02 . 1 . . . A 36 LEU H . 18812 1 231 . 1 1 36 36 LEU HA H 1 4.26 0.02 . 1 . . . A 36 LEU HA . 18812 1 232 . 1 1 36 36 LEU HB2 H 1 1.63 0.2 . 2 . . . A 36 LEU HB2 . 18812 1 233 . 1 1 36 36 LEU HB3 H 1 1.63 0.2 . 2 . . . A 36 LEU HB3 . 18812 1 234 . 1 1 36 36 LEU HG H 1 1.63 0.2 . 1 . . . A 36 LEU HG . 18812 1 235 . 1 1 36 36 LEU HD11 H 1 0.95 0.02 . 2 . . . A 36 LEU HD11 . 18812 1 236 . 1 1 36 36 LEU HD12 H 1 0.95 0.02 . 2 . . . A 36 LEU HD12 . 18812 1 237 . 1 1 36 36 LEU HD13 H 1 0.95 0.02 . 2 . . . A 36 LEU HD13 . 18812 1 238 . 1 1 36 36 LEU HD21 H 1 0.89 0.02 . 2 . . . A 36 LEU HD21 . 18812 1 239 . 1 1 36 36 LEU HD22 H 1 0.89 0.02 . 2 . . . A 36 LEU HD22 . 18812 1 240 . 1 1 36 36 LEU HD23 H 1 0.89 0.02 . 2 . . . A 36 LEU HD23 . 18812 1 241 . 1 1 36 36 LEU CA C 13 55.5 0.2 . 1 . . . A 36 LEU CA . 18812 1 242 . 1 1 36 36 LEU CB C 13 42.0 0.2 . 1 . . . A 36 LEU CB . 18812 1 243 . 1 1 36 36 LEU CD1 C 13 24.9 0.2 . 2 . . . A 36 LEU CD1 . 18812 1 244 . 1 1 36 36 LEU CD2 C 13 23.5 0.2 . 2 . . . A 36 LEU CD2 . 18812 1 245 . 1 1 36 36 LEU N N 15 120.0 0.2 . 1 . . . A 36 LEU N . 18812 1 246 . 1 1 37 37 LEU H H 1 8.19 0.02 . 1 . . . A 37 LEU H . 18812 1 247 . 1 1 37 37 LEU HA H 1 4.38 0.02 . 1 . . . A 37 LEU HA . 18812 1 248 . 1 1 37 37 LEU HB2 H 1 1.65 0.2 . . . . . A 37 LEU HB2 . 18812 1 249 . 1 1 37 37 LEU HB3 H 1 1.65 0.2 . . . . . A 37 LEU HB3 . 18812 1 250 . 1 1 37 37 LEU HG H 1 1.65 0.2 . 1 . . . A 37 LEU HG . 18812 1 251 . 1 1 37 37 LEU HD11 H 1 0.93 0.02 . 2 . . . A 37 LEU HD11 . 18812 1 252 . 1 1 37 37 LEU HD12 H 1 0.93 0.02 . 2 . . . A 37 LEU HD12 . 18812 1 253 . 1 1 37 37 LEU HD13 H 1 0.93 0.02 . 2 . . . A 37 LEU HD13 . 18812 1 254 . 1 1 37 37 LEU HD21 H 1 0.93 0.02 . 2 . . . A 37 LEU HD21 . 18812 1 255 . 1 1 37 37 LEU HD22 H 1 0.93 0.02 . 2 . . . A 37 LEU HD22 . 18812 1 256 . 1 1 37 37 LEU HD23 H 1 0.93 0.02 . 2 . . . A 37 LEU HD23 . 18812 1 257 . 1 1 37 37 LEU C C 13 177.1 0.2 . 1 . . . A 37 LEU C . 18812 1 258 . 1 1 37 37 LEU CA C 13 55.0 0.2 . 1 . . . A 37 LEU CA . 18812 1 259 . 1 1 37 37 LEU CB C 13 42.1 0.2 . 1 . . . A 37 LEU CB . 18812 1 260 . 1 1 37 37 LEU CD1 C 13 24.9 0.2 . 2 . . . A 37 LEU CD1 . 18812 1 261 . 1 1 37 37 LEU N N 15 122.7 0.2 . 1 . . . A 37 LEU N . 18812 1 262 . 1 1 38 38 ARG H H 1 8.04 0.02 . 1 . . . A 38 ARG H . 18812 1 263 . 1 1 38 38 ARG HA H 1 4.47 0.02 . 1 . . . A 38 ARG HA . 18812 1 264 . 1 1 38 38 ARG HB2 H 1 1.73 0.02 . 2 . . . A 38 ARG HB2 . 18812 1 265 . 1 1 38 38 ARG HB3 H 1 1.73 0.02 . 2 . . . A 38 ARG HB3 . 18812 1 266 . 1 1 38 38 ARG HG2 H 1 1.67 0.02 . 2 . . . A 38 ARG HG2 . 18812 1 267 . 1 1 38 38 ARG HG3 H 1 1.67 0.02 . 2 . . . A 38 ARG HG3 . 18812 1 268 . 1 1 38 38 ARG HD2 H 1 3.30 0.02 . 2 . . . A 38 ARG HD2 . 18812 1 269 . 1 1 38 38 ARG HD3 H 1 3.22 0.02 . 2 . . . A 38 ARG HD3 . 18812 1 270 . 1 1 38 38 ARG C C 13 176.2 0.2 . 1 . . . A 38 ARG C . 18812 1 271 . 1 1 38 38 ARG CA C 13 55.1 0.2 . 1 . . . A 38 ARG CA . 18812 1 272 . 1 1 38 38 ARG CB C 13 31.2 0.2 . 1 . . . A 38 ARG CB . 18812 1 273 . 1 1 38 38 ARG CG C 13 26.8 0.2 . 1 . . . A 38 ARG CG . 18812 1 274 . 1 1 38 38 ARG CD C 13 43.3 0.3 . 1 . . . A 38 ARG CD . 18812 1 275 . 1 1 38 38 ARG N N 15 121.6 0.2 . 1 . . . A 38 ARG N . 18812 1 276 . 1 1 39 39 ARG H H 1 8.84 0.02 . 1 . . . A 39 ARG H . 18812 1 277 . 1 1 39 39 ARG HA H 1 4.37 0.02 . 1 . . . A 39 ARG HA . 18812 1 278 . 1 1 39 39 ARG HB2 H 1 1.85 0.02 . 2 . . . A 39 ARG HB2 . 18812 1 279 . 1 1 39 39 ARG HB3 H 1 1.85 0.02 . 2 . . . A 39 ARG HB3 . 18812 1 280 . 1 1 39 39 ARG HG2 H 1 1.79 0.02 . 2 . . . A 39 ARG HG2 . 18812 1 281 . 1 1 39 39 ARG HG3 H 1 1.67 0.02 . 2 . . . A 39 ARG HG3 . 18812 1 282 . 1 1 39 39 ARG HD2 H 1 3.34 0.02 . 2 . . . A 39 ARG HD2 . 18812 1 283 . 1 1 39 39 ARG HD3 H 1 3.34 0.02 . 2 . . . A 39 ARG HD3 . 18812 1 284 . 1 1 39 39 ARG C C 13 175.5 0.2 . 1 . . . A 39 ARG C . 18812 1 285 . 1 1 39 39 ARG CA C 13 56.7 0.2 . 1 . . . A 39 ARG CA . 18812 1 286 . 1 1 39 39 ARG CB C 13 31.2 0.2 . 1 . . . A 39 ARG CB . 18812 1 287 . 1 1 39 39 ARG CG C 13 27.8 0.2 . 1 . . . A 39 ARG CG . 18812 1 288 . 1 1 39 39 ARG CD C 13 43.3 0.2 . 1 . . . A 39 ARG CD . 18812 1 289 . 1 1 39 39 ARG N N 15 123.6 0.2 . 1 . . . A 39 ARG N . 18812 1 290 . 1 1 40 40 THR H H 1 8.15 0.02 . 1 . . . A 40 THR H . 18812 1 291 . 1 1 40 40 THR HA H 1 4.77 0.02 . 1 . . . A 40 THR HA . 18812 1 292 . 1 1 40 40 THR HB H 1 4.47 0.02 . 1 . . . A 40 THR HB . 18812 1 293 . 1 1 40 40 THR HG21 H 1 1.19 0.02 . 1 . . . A 40 THR HG21 . 18812 1 294 . 1 1 40 40 THR HG22 H 1 1.19 0.02 . 1 . . . A 40 THR HG22 . 18812 1 295 . 1 1 40 40 THR HG23 H 1 1.19 0.02 . 1 . . . A 40 THR HG23 . 18812 1 296 . 1 1 40 40 THR C C 13 175.3 0.2 . 1 . . . A 40 THR C . 18812 1 297 . 1 1 40 40 THR CA C 13 59.5 0.2 . 1 . . . A 40 THR CA . 18812 1 298 . 1 1 40 40 THR CB C 13 71.7 0.2 . 1 . . . A 40 THR CB . 18812 1 299 . 1 1 40 40 THR CG2 C 13 21.9 0.2 . 1 . . . A 40 THR CG2 . 18812 1 300 . 1 1 40 40 THR N N 15 113.9 0.2 . 1 . . . A 40 THR N . 18812 1 301 . 1 1 41 41 LEU H H 1 9.48 0.02 . 1 . . . A 41 LEU H . 18812 1 302 . 1 1 41 41 LEU HA H 1 4.47 0.02 . 1 . . . A 41 LEU HA . 18812 1 303 . 1 1 41 41 LEU HB2 H 1 1.57 0.02 . 2 . . . A 41 LEU HB2 . 18812 1 304 . 1 1 41 41 LEU HB3 H 1 1.57 0.02 . 2 . . . A 41 LEU HB3 . 18812 1 305 . 1 1 41 41 LEU HG H 1 0.80 0.02 . 1 . . . A 41 LEU HG . 18812 1 306 . 1 1 41 41 LEU HD11 H 1 0.79 0.02 . 2 . . . A 41 LEU HD11 . 18812 1 307 . 1 1 41 41 LEU HD12 H 1 0.79 0.02 . 2 . . . A 41 LEU HD12 . 18812 1 308 . 1 1 41 41 LEU HD13 H 1 0.79 0.02 . 2 . . . A 41 LEU HD13 . 18812 1 309 . 1 1 41 41 LEU HD21 H 1 0.79 0.02 . 2 . . . A 41 LEU HD21 . 18812 1 310 . 1 1 41 41 LEU HD22 H 1 0.79 0.02 . 2 . . . A 41 LEU HD22 . 18812 1 311 . 1 1 41 41 LEU HD23 H 1 0.79 0.02 . 2 . . . A 41 LEU HD23 . 18812 1 312 . 1 1 41 41 LEU C C 13 179.7 0.2 . 1 . . . A 41 LEU C . 18812 1 313 . 1 1 41 41 LEU CA C 13 54.9 0.2 . 1 . . . A 41 LEU CA . 18812 1 314 . 1 1 41 41 LEU CB C 13 43.0 0.2 . 1 . . . A 41 LEU CB . 18812 1 315 . 1 1 41 41 LEU CG C 13 27.9 0.2 . 1 . . . A 41 LEU CG . 18812 1 316 . 1 1 41 41 LEU CD1 C 13 24.5 0.2 . 2 . . . A 41 LEU CD1 . 18812 1 317 . 1 1 41 41 LEU CD2 C 13 24.5 0.2 . 2 . . . A 41 LEU CD2 . 18812 1 318 . 1 1 41 41 LEU N N 15 123.1 0.2 . 1 . . . A 41 LEU N . 18812 1 319 . 1 1 42 42 THR H H 1 8.79 0.02 . 1 . . . A 42 THR H . 18812 1 320 . 1 1 42 42 THR HA H 1 4.58 0.02 . 1 . . . A 42 THR HA . 18812 1 321 . 1 1 42 42 THR HB H 1 4.80 0.02 . 1 . . . A 42 THR HB . 18812 1 322 . 1 1 42 42 THR HG21 H 1 1.34 0.02 . 1 . . . A 42 THR HG21 . 18812 1 323 . 1 1 42 42 THR HG22 H 1 1.34 0.02 . 1 . . . A 42 THR HG22 . 18812 1 324 . 1 1 42 42 THR HG23 H 1 1.34 0.02 . 1 . . . A 42 THR HG23 . 18812 1 325 . 1 1 42 42 THR C C 13 175.4 0.2 . 1 . . . A 42 THR C . 18812 1 326 . 1 1 42 42 THR CA C 13 60.9 0.2 . 1 . . . A 42 THR CA . 18812 1 327 . 1 1 42 42 THR CB C 13 70.6 0.2 . 1 . . . A 42 THR CB . 18812 1 328 . 1 1 42 42 THR CG2 C 13 21.8 0.2 . 1 . . . A 42 THR CG2 . 18812 1 329 . 1 1 42 42 THR N N 15 115.1 0.2 . 1 . . . A 42 THR N . 18812 1 330 . 1 1 43 43 GLU H H 1 9.02 0.02 . 1 . . . A 43 GLU H . 18812 1 331 . 1 1 43 43 GLU HA H 1 4.02 0.02 . 1 . . . A 43 GLU HA . 18812 1 332 . 1 1 43 43 GLU HB2 H 1 2.06 0.02 . 2 . . . A 43 GLU HB2 . 18812 1 333 . 1 1 43 43 GLU HB3 H 1 1.97 0.02 . 2 . . . A 43 GLU HB3 . 18812 1 334 . 1 1 43 43 GLU HG2 H 1 2.40 0.02 . 2 . . . A 43 GLU HG2 . 18812 1 335 . 1 1 43 43 GLU HG3 H 1 2.30 0.02 . 2 . . . A 43 GLU HG3 . 18812 1 336 . 1 1 43 43 GLU C C 13 179.1 0.2 . 1 . . . A 43 GLU C . 18812 1 337 . 1 1 43 43 GLU CA C 13 59.7 0.2 . 1 . . . A 43 GLU CA . 18812 1 338 . 1 1 43 43 GLU CB C 13 28.9 0.2 . 1 . . . A 43 GLU CB . 18812 1 339 . 1 1 43 43 GLU CG C 13 35.6 0.2 . 1 . . . A 43 GLU CG . 18812 1 340 . 1 1 43 43 GLU N N 15 121.4 0.2 . 1 . . . A 43 GLU N . 18812 1 341 . 1 1 44 44 GLU H H 1 8.81 0.02 . 1 . . . A 44 GLU H . 18812 1 342 . 1 1 44 44 GLU HA H 1 4.02 0.02 . 1 . . . A 44 GLU HA . 18812 1 343 . 1 1 44 44 GLU HB2 H 1 2.11 0.02 . 2 . . . A 44 GLU HB2 . 18812 1 344 . 1 1 44 44 GLU HB3 H 1 2.06 0.02 . 2 . . . A 44 GLU HB3 . 18812 1 345 . 1 1 44 44 GLU HG2 H 1 2.44 0.02 . 2 . . . A 44 GLU HG2 . 18812 1 346 . 1 1 44 44 GLU HG3 H 1 2.31 0.02 . 2 . . . A 44 GLU HG3 . 18812 1 347 . 1 1 44 44 GLU C C 13 179.7 0.2 . 1 . . . A 44 GLU C . 18812 1 348 . 1 1 44 44 GLU CA C 13 60.2 0.2 . 1 . . . A 44 GLU CA . 18812 1 349 . 1 1 44 44 GLU CB C 13 29.0 0.2 . 1 . . . A 44 GLU CB . 18812 1 350 . 1 1 44 44 GLU CG C 13 37.2 0.2 . 1 . . . A 44 GLU CG . 18812 1 351 . 1 1 44 44 GLU N N 15 118.3 0.2 . 1 . . . A 44 GLU N . 18812 1 352 . 1 1 45 45 GLN H H 1 7.80 0.02 . 1 . . . A 45 GLN H . 18812 1 353 . 1 1 45 45 GLN HA H 1 4.22 0.02 . 1 . . . A 45 GLN HA . 18812 1 354 . 1 1 45 45 GLN HB2 H 1 1.90 0.02 . 2 . . . A 45 GLN HB2 . 18812 1 355 . 1 1 45 45 GLN HB3 H 1 1.90 0.02 . 2 . . . A 45 GLN HB3 . 18812 1 356 . 1 1 45 45 GLN HG2 H 1 2.52 0.02 . 2 . . . A 45 GLN HG2 . 18812 1 357 . 1 1 45 45 GLN HG3 H 1 2.43 0.02 . 2 . . . A 45 GLN HG3 . 18812 1 358 . 1 1 45 45 GLN HE21 H 1 7.66 0.02 . 2 . . . A 45 GLN HE21 . 18812 1 359 . 1 1 45 45 GLN HE22 H 1 6.60 0.02 . 2 . . . A 45 GLN HE22 . 18812 1 360 . 1 1 45 45 GLN C C 13 178.5 0.2 . 1 . . . A 45 GLN C . 18812 1 361 . 1 1 45 45 GLN CA C 13 58.3 0.2 . 1 . . . A 45 GLN CA . 18812 1 362 . 1 1 45 45 GLN CB C 13 29.2 0.2 . 1 . . . A 45 GLN CB . 18812 1 363 . 1 1 45 45 GLN CG C 13 34.6 0.2 . 1 . . . A 45 GLN CG . 18812 1 364 . 1 1 45 45 GLN N N 15 119.3 0.2 . 1 . . . A 45 GLN N . 18812 1 365 . 1 1 45 45 GLN NE2 N 15 109.9 0.2 . 1 . . . A 45 GLN NE2 . 18812 1 366 . 1 1 46 46 VAL H H 1 8.42 0.02 . 1 . . . A 46 VAL H . 18812 1 367 . 1 1 46 46 VAL HA H 1 3.40 0.02 . 1 . . . A 46 VAL HA . 18812 1 368 . 1 1 46 46 VAL HB H 1 2.39 0.02 . 1 . . . A 46 VAL HB . 18812 1 369 . 1 1 46 46 VAL HG11 H 1 0.94 0.02 . 2 . . . A 46 VAL HG11 . 18812 1 370 . 1 1 46 46 VAL HG12 H 1 0.94 0.02 . 2 . . . A 46 VAL HG12 . 18812 1 371 . 1 1 46 46 VAL HG13 H 1 0.94 0.02 . 2 . . . A 46 VAL HG13 . 18812 1 372 . 1 1 46 46 VAL HG21 H 1 0.80 0.02 . 2 . . . A 46 VAL HG21 . 18812 1 373 . 1 1 46 46 VAL HG22 H 1 0.80 0.02 . 2 . . . A 46 VAL HG22 . 18812 1 374 . 1 1 46 46 VAL HG23 H 1 0.80 0.02 . 2 . . . A 46 VAL HG23 . 18812 1 375 . 1 1 46 46 VAL C C 13 177.5 0.2 . 1 . . . A 46 VAL C . 18812 1 376 . 1 1 46 46 VAL CA C 13 67.6 0.2 . 1 . . . A 46 VAL CA . 18812 1 377 . 1 1 46 46 VAL CB C 13 31.3 0.2 . 1 . . . A 46 VAL CB . 18812 1 378 . 1 1 46 46 VAL CG1 C 13 23.4 0.2 . 2 . . . A 46 VAL CG1 . 18812 1 379 . 1 1 46 46 VAL CG2 C 13 21.4 0.2 . 2 . . . A 46 VAL CG2 . 18812 1 380 . 1 1 46 46 VAL N N 15 121.0 0.2 . 1 . . . A 46 VAL N . 18812 1 381 . 1 1 47 47 GLN H H 1 7.47 0.02 . 1 . . . A 47 GLN H . 18812 1 382 . 1 1 47 47 GLN HA H 1 3.89 0.02 . 1 . . . A 47 GLN HA . 18812 1 383 . 1 1 47 47 GLN HB2 H 1 2.25 0.02 . 2 . . . A 47 GLN HB2 . 18812 1 384 . 1 1 47 47 GLN HB3 H 1 2.20 0.02 . 2 . . . A 47 GLN HB3 . 18812 1 385 . 1 1 47 47 GLN HG2 H 1 2.57 0.02 . 2 . . . A 47 GLN HG2 . 18812 1 386 . 1 1 47 47 GLN HG3 H 1 2.43 0.02 . 2 . . . A 47 GLN HG3 . 18812 1 387 . 1 1 47 47 GLN HE21 H 1 7.80 0.02 . 2 . . . A 47 GLN HE21 . 18812 1 388 . 1 1 47 47 GLN HE22 H 1 6.89 0.02 . 2 . . . A 47 GLN HE22 . 18812 1 389 . 1 1 47 47 GLN C C 13 178.5 0.2 . 1 . . . A 47 GLN C . 18812 1 390 . 1 1 47 47 GLN CA C 13 58.8 0.2 . 1 . . . A 47 GLN CA . 18812 1 391 . 1 1 47 47 GLN CB C 13 27.7 0.2 . 1 . . . A 47 GLN CB . 18812 1 392 . 1 1 47 47 GLN CG C 13 33.6 0.2 . 1 . . . A 47 GLN CG . 18812 1 393 . 1 1 47 47 GLN N N 15 115.9 0.2 . 1 . . . A 47 GLN N . 18812 1 394 . 1 1 47 47 GLN NE2 N 15 111.9 0.2 . 1 . . . A 47 GLN NE2 . 18812 1 395 . 1 1 48 48 GLU H H 1 7.94 0.02 . 1 . . . A 48 GLU H . 18812 1 396 . 1 1 48 48 GLU HA H 1 4.12 0.02 . 1 . . . A 48 GLU HA . 18812 1 397 . 1 1 48 48 GLU HB2 H 1 2.22 0.02 . 2 . . . A 48 GLU HB2 . 18812 1 398 . 1 1 48 48 GLU HB3 H 1 2.22 0.02 . 2 . . . A 48 GLU HB3 . 18812 1 399 . 1 1 48 48 GLU HG2 H 1 2.46 0.02 . 2 . . . A 48 GLU HG2 . 18812 1 400 . 1 1 48 48 GLU HG3 H 1 2.14 0.02 . 2 . . . A 48 GLU HG3 . 18812 1 401 . 1 1 48 48 GLU C C 13 178.5 0.2 . 1 . . . A 48 GLU C . 18812 1 402 . 1 1 48 48 GLU CA C 13 59.3 0.2 . 1 . . . A 48 GLU CA . 18812 1 403 . 1 1 48 48 GLU CB C 13 29.8 0.2 . 1 . . . A 48 GLU CB . 18812 1 404 . 1 1 48 48 GLU CG C 13 35.9 0.2 . 1 . . . A 48 GLU CG . 18812 1 405 . 1 1 48 48 GLU N N 15 121.4 0.2 . 1 . . . A 48 GLU N . 18812 1 406 . 1 1 49 49 VAL H H 1 8.58 0.02 . 1 . . . A 49 VAL H . 18812 1 407 . 1 1 49 49 VAL HA H 1 3.59 0.02 . 1 . . . A 49 VAL HA . 18812 1 408 . 1 1 49 49 VAL HB H 1 2.23 0.02 . 1 . . . A 49 VAL HB . 18812 1 409 . 1 1 49 49 VAL HG11 H 1 1.13 0.02 . 2 . . . A 49 VAL HG11 . 18812 1 410 . 1 1 49 49 VAL HG12 H 1 1.13 0.02 . 2 . . . A 49 VAL HG12 . 18812 1 411 . 1 1 49 49 VAL HG13 H 1 1.13 0.02 . 2 . . . A 49 VAL HG13 . 18812 1 412 . 1 1 49 49 VAL HG21 H 1 1.05 0.02 . 2 . . . A 49 VAL HG21 . 18812 1 413 . 1 1 49 49 VAL HG22 H 1 1.05 0.02 . 2 . . . A 49 VAL HG22 . 18812 1 414 . 1 1 49 49 VAL HG23 H 1 1.05 0.02 . 2 . . . A 49 VAL HG23 . 18812 1 415 . 1 1 49 49 VAL CA C 13 67.2 0.2 . 1 . . . A 49 VAL CA . 18812 1 416 . 1 1 49 49 VAL CB C 13 31.5 0.2 . 1 . . . A 49 VAL CB . 18812 1 417 . 1 1 49 49 VAL CG1 C 13 24.6 0.2 . 2 . . . A 49 VAL CG1 . 18812 1 418 . 1 1 49 49 VAL CG2 C 13 22.7 0.2 . 2 . . . A 49 VAL CG2 . 18812 1 419 . 1 1 49 49 VAL N N 15 120.3 0.2 . 1 . . . A 49 VAL N . 18812 1 420 . 1 1 50 50 VAL H H 1 8.35 0.02 . 1 . . . A 50 VAL H . 18812 1 421 . 1 1 50 50 VAL HA H 1 3.22 0.02 . 1 . . . A 50 VAL HA . 18812 1 422 . 1 1 50 50 VAL HB H 1 2.15 0.02 . 1 . . . A 50 VAL HB . 18812 1 423 . 1 1 50 50 VAL HG11 H 1 1.03 0.02 . 2 . . . A 50 VAL HG11 . 18812 1 424 . 1 1 50 50 VAL HG12 H 1 1.03 0.02 . 2 . . . A 50 VAL HG12 . 18812 1 425 . 1 1 50 50 VAL HG13 H 1 1.03 0.02 . 2 . . . A 50 VAL HG13 . 18812 1 426 . 1 1 50 50 VAL HG21 H 1 0.73 0.02 . 2 . . . A 50 VAL HG21 . 18812 1 427 . 1 1 50 50 VAL HG22 H 1 0.73 0.02 . 2 . . . A 50 VAL HG22 . 18812 1 428 . 1 1 50 50 VAL HG23 H 1 0.73 0.02 . 2 . . . A 50 VAL HG23 . 18812 1 429 . 1 1 50 50 VAL C C 13 178.6 0.2 . 1 . . . A 50 VAL C . 18812 1 430 . 1 1 50 50 VAL CA C 13 67.5 0.2 . 1 . . . A 50 VAL CA . 18812 1 431 . 1 1 50 50 VAL CB C 13 31.4 0.2 . 1 . . . A 50 VAL CB . 18812 1 432 . 1 1 50 50 VAL CG1 C 13 24.7 0.2 . . . . . A 50 VAL CG1 . 18812 1 433 . 1 1 50 50 VAL CG2 C 13 20.4 0.2 . . . . . A 50 VAL CG2 . 18812 1 434 . 1 1 50 50 VAL N N 15 118.7 0.2 . 1 . . . A 50 VAL N . 18812 1 435 . 1 1 51 51 ALA H H 1 8.32 0.02 . 1 . . . A 51 ALA H . 18812 1 436 . 1 1 51 51 ALA HA H 1 3.83 0.02 . 1 . . . A 51 ALA HA . 18812 1 437 . 1 1 51 51 ALA HB1 H 1 1.53 0.02 . 1 . . . A 51 ALA HB1 . 18812 1 438 . 1 1 51 51 ALA HB2 H 1 1.53 0.02 . 1 . . . A 51 ALA HB2 . 18812 1 439 . 1 1 51 51 ALA HB3 H 1 1.53 0.02 . 1 . . . A 51 ALA HB3 . 18812 1 440 . 1 1 51 51 ALA C C 13 180.1 0.2 . 1 . . . A 51 ALA C . 18812 1 441 . 1 1 51 51 ALA CA C 13 55.3 0.2 . 1 . . . A 51 ALA CA . 18812 1 442 . 1 1 51 51 ALA CB C 13 17.7 0.2 . 1 . . . A 51 ALA CB . 18812 1 443 . 1 1 51 51 ALA N N 15 123.2 0.2 . 1 . . . A 51 ALA N . 18812 1 444 . 1 1 52 52 LYS H H 1 8.17 0.02 . 1 . . . A 52 LYS H . 18812 1 445 . 1 1 52 52 LYS HA H 1 4.12 0.02 . 1 . . . A 52 LYS HA . 18812 1 446 . 1 1 52 52 LYS C C 13 180.2 0.2 . 1 . . . A 52 LYS C . 18812 1 447 . 1 1 52 52 LYS CA C 13 59.2 0.2 . 1 . . . A 52 LYS CA . 18812 1 448 . 1 1 52 52 LYS CB C 13 32.7 0.2 . 1 . . . A 52 LYS CB . 18812 1 449 . 1 1 52 52 LYS N N 15 117.2 0.2 . 1 . . . A 52 LYS N . 18812 1 450 . 1 1 53 53 LEU H H 1 8.17 0.02 . 1 . . . A 53 LEU H . 18812 1 451 . 1 1 53 53 LEU HA H 1 3.39 0.02 . 1 . . . A 53 LEU HA . 18812 1 452 . 1 1 53 53 LEU HB2 H 1 1.71 0.02 . 2 . . . A 53 LEU HB2 . 18812 1 453 . 1 1 53 53 LEU HB3 H 1 1.71 0.02 . 2 . . . A 53 LEU HB3 . 18812 1 454 . 1 1 53 53 LEU HG H 1 0.59 0.02 . 1 . . . A 53 LEU HG . 18812 1 455 . 1 1 53 53 LEU HD11 H 1 0.93 0.02 . 2 . . . A 53 LEU HD11 . 18812 1 456 . 1 1 53 53 LEU HD12 H 1 0.93 0.02 . 2 . . . A 53 LEU HD12 . 18812 1 457 . 1 1 53 53 LEU HD13 H 1 0.93 0.02 . 2 . . . A 53 LEU HD13 . 18812 1 458 . 1 1 53 53 LEU HD21 H 1 -0.19 0.02 . 2 . . . A 53 LEU HD21 . 18812 1 459 . 1 1 53 53 LEU HD22 H 1 -0.19 0.02 . 2 . . . A 53 LEU HD22 . 18812 1 460 . 1 1 53 53 LEU HD23 H 1 -0.19 0.02 . 2 . . . A 53 LEU HD23 . 18812 1 461 . 1 1 53 53 LEU C C 13 176.3 0.2 . 1 . . . A 53 LEU C . 18812 1 462 . 1 1 53 53 LEU CA C 13 56.3 0.2 . 1 . . . A 53 LEU CA . 18812 1 463 . 1 1 53 53 LEU CB C 13 44.3 0.2 . 1 . . . A 53 LEU CB . 18812 1 464 . 1 1 53 53 LEU CG C 13 29.5 0.2 . 1 . . . A 53 LEU CG . 18812 1 465 . 1 1 53 53 LEU N N 15 118.6 0.2 . 1 . . . A 53 LEU N . 18812 1 466 . 1 1 54 54 THR H H 1 6.99 0.02 . 1 . . . A 54 THR H . 18812 1 467 . 1 1 54 54 THR HA H 1 3.49 0.02 . 1 . . . A 54 THR HA . 18812 1 468 . 1 1 54 54 THR HB H 1 2.67 0.02 . 1 . . . A 54 THR HB . 18812 1 469 . 1 1 54 54 THR HG21 H 1 -0.47 0.02 . 1 . . . A 54 THR HG21 . 18812 1 470 . 1 1 54 54 THR HG22 H 1 -0.47 0.02 . 1 . . . A 54 THR HG22 . 18812 1 471 . 1 1 54 54 THR HG23 H 1 -0.47 0.02 . 1 . . . A 54 THR HG23 . 18812 1 472 . 1 1 54 54 THR C C 13 173.6 0.2 . 1 . . . A 54 THR C . 18812 1 473 . 1 1 54 54 THR CA C 13 60.8 0.2 . 1 . . . A 54 THR CA . 18812 1 474 . 1 1 54 54 THR CB C 13 69.7 0.2 . 1 . . . A 54 THR CB . 18812 1 475 . 1 1 54 54 THR CG2 C 13 20.3 0.2 . 1 . . . A 54 THR CG2 . 18812 1 476 . 1 1 54 54 THR N N 15 103.0 0.2 . 1 . . . A 54 THR N . 18812 1 477 . 1 1 55 55 ASP H H 1 6.90 0.02 . 1 . . . A 55 ASP H . 18812 1 478 . 1 1 55 55 ASP HA H 1 4.63 0.02 . 1 . . . A 55 ASP HA . 18812 1 479 . 1 1 55 55 ASP HB2 H 1 2.83 0.02 . 2 . . . A 55 ASP HB2 . 18812 1 480 . 1 1 55 55 ASP HB3 H 1 2.54 0.02 . 2 . . . A 55 ASP HB3 . 18812 1 481 . 1 1 55 55 ASP CA C 13 52.6 0.2 . 1 . . . A 55 ASP CA . 18812 1 482 . 1 1 55 55 ASP CB C 13 42.2 0.2 . 1 . . . A 55 ASP CB . 18812 1 483 . 1 1 55 55 ASP N N 15 126.4 0.2 . 1 . . . A 55 ASP N . 18812 1 484 . 1 1 56 56 PRO HA H 1 4.34 0.02 . 1 . . . A 56 PRO HA . 18812 1 485 . 1 1 56 56 PRO HB2 H 1 2.48 0.02 . 2 . . . A 56 PRO HB2 . 18812 1 486 . 1 1 56 56 PRO HB3 H 1 2.01 0.02 . 2 . . . A 56 PRO HB3 . 18812 1 487 . 1 1 56 56 PRO HG2 H 1 2.20 0.02 . 2 . . . A 56 PRO HG2 . 18812 1 488 . 1 1 56 56 PRO HG3 H 1 2.20 0.02 . 2 . . . A 56 PRO HG3 . 18812 1 489 . 1 1 56 56 PRO HD2 H 1 3.89 0.02 . 2 . . . A 56 PRO HD2 . 18812 1 490 . 1 1 56 56 PRO HD3 H 1 3.89 0.02 . 2 . . . A 56 PRO HD3 . 18812 1 491 . 1 1 56 56 PRO C C 13 178.5 0.2 . 1 . . . A 56 PRO C . 18812 1 492 . 1 1 56 56 PRO CA C 13 65.1 0.2 . 1 . . . A 56 PRO CA . 18812 1 493 . 1 1 56 56 PRO CB C 13 32.1 0.2 . 1 . . . A 56 PRO CB . 18812 1 494 . 1 1 56 56 PRO CG C 13 27.4 0.2 . 1 . . . A 56 PRO CG . 18812 1 495 . 1 1 56 56 PRO CD C 13 50.6 0.2 . 1 . . . A 56 PRO CD . 18812 1 496 . 1 1 57 57 GLU H H 1 8.64 0.02 . 1 . . . A 57 GLU H . 18812 1 497 . 1 1 57 57 GLU HB2 H 1 2.30 0.02 . 2 . . . A 57 GLU HB2 . 18812 1 498 . 1 1 57 57 GLU HB3 H 1 1.86 0.02 . 2 . . . A 57 GLU HB3 . 18812 1 499 . 1 1 57 57 GLU C C 13 176.3 0.2 . 1 . . . A 57 GLU C . 18812 1 500 . 1 1 57 57 GLU CA C 13 59.6 0.2 . 1 . . . A 57 GLU CA . 18812 1 501 . 1 1 57 57 GLU CB C 13 29.4 0.2 . 1 . . . A 57 GLU CB . 18812 1 502 . 1 1 57 57 GLU CG C 13 33.7 0.2 . 1 . . . A 57 GLU CG . 18812 1 503 . 1 1 57 57 GLU N N 15 115.7 0.2 . 1 . . . A 57 GLU N . 18812 1 504 . 1 1 58 58 SER H H 1 8.18 0.02 . 1 . . . A 58 SER H . 18812 1 505 . 1 1 58 58 SER HA H 1 4.26 0.02 . 1 . . . A 58 SER HA . 18812 1 506 . 1 1 58 58 SER HB2 H 1 4.27 0.02 . 2 . . . A 58 SER HB2 . 18812 1 507 . 1 1 58 58 SER HB3 H 1 4.27 0.02 . 2 . . . A 58 SER HB3 . 18812 1 508 . 1 1 58 58 SER C C 13 177.4 0.2 . 1 . . . A 58 SER C . 18812 1 509 . 1 1 58 58 SER CA C 13 62.9 0.2 . 1 . . . A 58 SER CA . 18812 1 510 . 1 1 58 58 SER CB C 13 69.3 0.2 . 1 . . . A 58 SER CB . 18812 1 511 . 1 1 58 58 SER N N 15 115.0 0.2 . 1 . . . A 58 SER N . 18812 1 512 . 1 1 60 60 ALA H H 1 8.02 0.02 . 1 . . . A 60 ALA H . 18812 1 513 . 1 1 60 60 ALA HA H 1 4.63 0.02 . 1 . . . A 60 ALA HA . 18812 1 514 . 1 1 60 60 ALA HB1 H 1 1.25 0.02 . 1 . . . A 60 ALA HB1 . 18812 1 515 . 1 1 60 60 ALA HB2 H 1 1.25 0.02 . 1 . . . A 60 ALA HB2 . 18812 1 516 . 1 1 60 60 ALA HB3 H 1 1.25 0.02 . 1 . . . A 60 ALA HB3 . 18812 1 517 . 1 1 60 60 ALA C C 13 180.6 0.2 . 1 . . . A 60 ALA C . 18812 1 518 . 1 1 60 60 ALA CA C 13 53.6 0.2 . 1 . . . A 60 ALA CA . 18812 1 519 . 1 1 60 60 ALA CB C 13 19.2 0.2 . 1 . . . A 60 ALA CB . 18812 1 520 . 1 1 60 60 ALA N N 15 123.0 0.2 . 1 . . . A 60 ALA N . 18812 1 521 . 1 1 61 61 GLN H H 1 7.50 0.02 . 1 . . . A 61 GLN H . 18812 1 522 . 1 1 61 61 GLN HA H 1 4.02 0.02 . 1 . . . A 61 GLN HA . 18812 1 523 . 1 1 61 61 GLN C C 13 176.9 0.2 . 1 . . . A 61 GLN C . 18812 1 524 . 1 1 61 61 GLN CA C 13 54.9 0.2 . 1 . . . A 61 GLN CA . 18812 1 525 . 1 1 61 61 GLN CB C 13 28.5 0.2 . 1 . . . A 61 GLN CB . 18812 1 526 . 1 1 61 61 GLN CG C 13 33.0 0.2 . 1 . . . A 61 GLN CG . 18812 1 527 . 1 1 61 61 GLN N N 15 114.0 0.2 . 1 . . . A 61 GLN N . 18812 1 528 . 1 1 62 62 ILE H H 1 7.24 0.02 . 1 . . . A 62 ILE H . 18812 1 529 . 1 1 62 62 ILE HA H 1 3.78 0.02 . 1 . . . A 62 ILE HA . 18812 1 530 . 1 1 62 62 ILE HB H 1 1.86 0.02 . 1 . . . A 62 ILE HB . 18812 1 531 . 1 1 62 62 ILE HG12 H 1 1.79 0.02 . 2 . . . A 62 ILE HG12 . 18812 1 532 . 1 1 62 62 ILE HG13 H 1 1.21 0.02 . 2 . . . A 62 ILE HG13 . 18812 1 533 . 1 1 62 62 ILE HG21 H 1 0.97 0.02 . 1 . . . A 62 ILE HG21 . 18812 1 534 . 1 1 62 62 ILE HG22 H 1 0.97 0.02 . 1 . . . A 62 ILE HG22 . 18812 1 535 . 1 1 62 62 ILE HG23 H 1 0.97 0.02 . 1 . . . A 62 ILE HG23 . 18812 1 536 . 1 1 62 62 ILE HD11 H 1 1.01 0.02 . 1 . . . A 62 ILE HD11 . 18812 1 537 . 1 1 62 62 ILE HD12 H 1 1.01 0.02 . 1 . . . A 62 ILE HD12 . 18812 1 538 . 1 1 62 62 ILE HD13 H 1 1.01 0.02 . 1 . . . A 62 ILE HD13 . 18812 1 539 . 1 1 62 62 ILE C C 13 176.8 0.2 . 1 . . . A 62 ILE C . 18812 1 540 . 1 1 62 62 ILE CA C 13 65.9 0.2 . 1 . . . A 62 ILE CA . 18812 1 541 . 1 1 62 62 ILE CB C 13 37.7 0.2 . 1 . . . A 62 ILE CB . 18812 1 542 . 1 1 62 62 ILE CG1 C 13 29.5 0.2 . 1 . . . A 62 ILE CG1 . 18812 1 543 . 1 1 62 62 ILE CG2 C 13 16.7 0.2 . 1 . . . A 62 ILE CG2 . 18812 1 544 . 1 1 62 62 ILE CD1 C 13 13.1 0.2 . 1 . . . A 62 ILE CD1 . 18812 1 545 . 1 1 62 62 ILE N N 15 123.9 0.2 . 1 . . . A 62 ILE N . 18812 1 546 . 1 1 63 63 ASP H H 1 7.86 0.02 . 1 . . . A 63 ASP H . 18812 1 547 . 1 1 63 63 ASP HA H 1 4.81 0.02 . 1 . . . A 63 ASP HA . 18812 1 548 . 1 1 63 63 ASP HB2 H 1 3.20 0.02 . 2 . . . A 63 ASP HB2 . 18812 1 549 . 1 1 63 63 ASP HB3 H 1 2.60 0.02 . 2 . . . A 63 ASP HB3 . 18812 1 550 . 1 1 63 63 ASP C C 13 177.5 0.2 . 1 . . . A 63 ASP C . 18812 1 551 . 1 1 63 63 ASP CA C 13 51.7 0.2 . 1 . . . A 63 ASP CA . 18812 1 552 . 1 1 63 63 ASP CB C 13 40.3 0.2 . 1 . . . A 63 ASP CB . 18812 1 553 . 1 1 63 63 ASP N N 15 114.1 0.2 . 1 . . . A 63 ASP N . 18812 1 554 . 1 1 64 64 GLY H H 1 7.86 0.02 . 1 . . . A 64 GLY H . 18812 1 555 . 1 1 64 64 GLY HA2 H 1 4.13 0.02 . 2 . . . A 64 GLY HA2 . 18812 1 556 . 1 1 64 64 GLY HA3 H 1 3.86 0.02 . 2 . . . A 64 GLY HA3 . 18812 1 557 . 1 1 64 64 GLY C C 13 173.4 0.2 . 1 . . . A 64 GLY C . 18812 1 558 . 1 1 64 64 GLY CA C 13 45.9 0.2 . 1 . . . A 64 GLY CA . 18812 1 559 . 1 1 64 64 GLY N N 15 104.8 0.2 . 1 . . . A 64 GLY N . 18812 1 560 . 1 1 65 65 VAL H H 1 7.55 0.02 . 1 . . . A 65 VAL H . 18812 1 561 . 1 1 65 65 VAL HA H 1 4.50 0.02 . 1 . . . A 65 VAL HA . 18812 1 562 . 1 1 65 65 VAL HB H 1 1.70 0.02 . 1 . . . A 65 VAL HB . 18812 1 563 . 1 1 65 65 VAL HG11 H 1 0.78 0.02 . 2 . . . A 65 VAL HG11 . 18812 1 564 . 1 1 65 65 VAL HG12 H 1 0.78 0.02 . 2 . . . A 65 VAL HG12 . 18812 1 565 . 1 1 65 65 VAL HG13 H 1 0.78 0.02 . 2 . . . A 65 VAL HG13 . 18812 1 566 . 1 1 65 65 VAL HG21 H 1 0.78 0.02 . 2 . . . A 65 VAL HG21 . 18812 1 567 . 1 1 65 65 VAL HG22 H 1 0.78 0.02 . 2 . . . A 65 VAL HG22 . 18812 1 568 . 1 1 65 65 VAL HG23 H 1 0.78 0.02 . 2 . . . A 65 VAL HG23 . 18812 1 569 . 1 1 65 65 VAL C C 13 173.3 0.2 . 1 . . . A 65 VAL C . 18812 1 570 . 1 1 65 65 VAL CA C 13 60.1 0.2 . 1 . . . A 65 VAL CA . 18812 1 571 . 1 1 65 65 VAL CB C 13 36.1 0.2 . 1 . . . A 65 VAL CB . 18812 1 572 . 1 1 65 65 VAL CG1 C 13 20.8 0.2 . 2 . . . A 65 VAL CG1 . 18812 1 573 . 1 1 65 65 VAL CG2 C 13 20.8 0.2 . 2 . . . A 65 VAL CG2 . 18812 1 574 . 1 1 65 65 VAL N N 15 117.7 0.2 . 1 . . . A 65 VAL N . 18812 1 575 . 1 1 66 66 VAL H H 1 8.54 0.02 . 1 . . . A 66 VAL H . 18812 1 576 . 1 1 66 66 VAL HA H 1 4.73 0.02 . 1 . . . A 66 VAL HA . 18812 1 577 . 1 1 66 66 VAL HB H 1 2.02 0.02 . 1 . . . A 66 VAL HB . 18812 1 578 . 1 1 66 66 VAL HG11 H 1 0.83 0.02 . 2 . . . A 66 VAL HG11 . 18812 1 579 . 1 1 66 66 VAL HG12 H 1 0.83 0.02 . 2 . . . A 66 VAL HG12 . 18812 1 580 . 1 1 66 66 VAL HG13 H 1 0.83 0.02 . 2 . . . A 66 VAL HG13 . 18812 1 581 . 1 1 66 66 VAL HG21 H 1 0.83 0.02 . 2 . . . A 66 VAL HG21 . 18812 1 582 . 1 1 66 66 VAL HG22 H 1 0.83 0.02 . 2 . . . A 66 VAL HG22 . 18812 1 583 . 1 1 66 66 VAL HG23 H 1 0.83 0.02 . 2 . . . A 66 VAL HG23 . 18812 1 584 . 1 1 66 66 VAL C C 13 174.3 0.2 . 1 . . . A 66 VAL C . 18812 1 585 . 1 1 66 66 VAL CA C 13 61.5 0.2 . 1 . . . A 66 VAL CA . 18812 1 586 . 1 1 66 66 VAL CB C 13 31.8 0.2 . 1 . . . A 66 VAL CB . 18812 1 587 . 1 1 66 66 VAL CG1 C 13 24.3 0.2 . 2 . . . A 66 VAL CG1 . 18812 1 588 . 1 1 66 66 VAL CG2 C 13 21.2 0.2 . 2 . . . A 66 VAL CG2 . 18812 1 589 . 1 1 66 66 VAL N N 15 129.5 0.2 . 1 . . . A 66 VAL N . 18812 1 590 . 1 1 67 67 SER H H 1 9.37 0.02 . 1 . . . A 67 SER H . 18812 1 591 . 1 1 67 67 SER HA H 1 5.51 0.02 . 1 . . . A 67 SER HA . 18812 1 592 . 1 1 67 67 SER HB2 H 1 4.33 0.02 . 2 . . . A 67 SER HB2 . 18812 1 593 . 1 1 67 67 SER HB3 H 1 3.86 0.02 . 2 . . . A 67 SER HB3 . 18812 1 594 . 1 1 67 67 SER CA C 13 55.7 0.2 . 1 . . . A 67 SER CA . 18812 1 595 . 1 1 67 67 SER CB C 13 66.1 0.2 . 1 . . . A 67 SER CB . 18812 1 596 . 1 1 67 67 SER N N 15 123.5 0.2 . 1 . . . A 67 SER N . 18812 1 597 . 1 1 68 68 LYS C C 13 177.1 0.2 . 1 . . . A 68 LYS C . 18812 1 598 . 1 1 69 69 ASP H H 1 8.42 0.02 . 1 . . . A 69 ASP H . 18812 1 599 . 1 1 69 69 ASP HA H 1 4.45 0.02 . 1 . . . A 69 ASP HA . 18812 1 600 . 1 1 69 69 ASP HB2 H 1 2.68 0.02 . 2 . . . A 69 ASP HB2 . 18812 1 601 . 1 1 69 69 ASP HB3 H 1 2.62 0.02 . 2 . . . A 69 ASP HB3 . 18812 1 602 . 1 1 69 69 ASP C C 13 178.8 0.2 . 1 . . . A 69 ASP C . 18812 1 603 . 1 1 69 69 ASP CA C 13 56.9 0.2 . 1 . . . A 69 ASP CA . 18812 1 604 . 1 1 69 69 ASP CB C 13 40.4 0.2 . 1 . . . A 69 ASP CB . 18812 1 605 . 1 1 69 69 ASP N N 15 114.8 0.2 . 1 . . . A 69 ASP N . 18812 1 606 . 1 1 70 70 GLU H H 1 7.60 0.02 . 1 . . . A 70 GLU H . 18812 1 607 . 1 1 70 70 GLU HA H 1 4.15 0.02 . 1 . . . A 70 GLU HA . 18812 1 608 . 1 1 70 70 GLU HB2 H 1 2.66 0.02 . 2 . . . A 70 GLU HB2 . 18812 1 609 . 1 1 70 70 GLU HB3 H 1 1.56 0.02 . 2 . . . A 70 GLU HB3 . 18812 1 610 . 1 1 70 70 GLU HG2 H 1 2.52 0.02 . 2 . . . A 70 GLU HG2 . 18812 1 611 . 1 1 70 70 GLU HG3 H 1 2.35 0.02 . 2 . . . A 70 GLU HG3 . 18812 1 612 . 1 1 70 70 GLU C C 13 178.0 0.2 . 1 . . . A 70 GLU C . 18812 1 613 . 1 1 70 70 GLU CA C 13 59.2 0.2 . 1 . . . A 70 GLU CA . 18812 1 614 . 1 1 70 70 GLU CB C 13 28.6 0.2 . 1 . . . A 70 GLU CB . 18812 1 615 . 1 1 70 70 GLU CG C 13 36.4 0.2 . 1 . . . A 70 GLU CG . 18812 1 616 . 1 1 70 70 GLU N N 15 120.3 0.2 . 1 . . . A 70 GLU N . 18812 1 617 . 1 1 71 71 ILE H H 1 8.05 0.02 . 1 . . . A 71 ILE H . 18812 1 618 . 1 1 71 71 ILE HA H 1 3.43 0.02 . 1 . . . A 71 ILE HA . 18812 1 619 . 1 1 71 71 ILE HB H 1 2.10 0.02 . 1 . . . A 71 ILE HB . 18812 1 620 . 1 1 71 71 ILE HG12 H 1 1.80 0.02 . 2 . . . A 71 ILE HG12 . 18812 1 621 . 1 1 71 71 ILE HG13 H 1 0.53 0.02 . 2 . . . A 71 ILE HG13 . 18812 1 622 . 1 1 71 71 ILE HG21 H 1 0.97 0.02 . 1 . . . A 71 ILE HG21 . 18812 1 623 . 1 1 71 71 ILE HG22 H 1 0.97 0.02 . 1 . . . A 71 ILE HG22 . 18812 1 624 . 1 1 71 71 ILE HG23 H 1 0.97 0.02 . 1 . . . A 71 ILE HG23 . 18812 1 625 . 1 1 71 71 ILE HD11 H 1 0.71 0.02 . 1 . . . A 71 ILE HD11 . 18812 1 626 . 1 1 71 71 ILE HD12 H 1 0.71 0.02 . 1 . . . A 71 ILE HD12 . 18812 1 627 . 1 1 71 71 ILE HD13 H 1 0.71 0.02 . 1 . . . A 71 ILE HD13 . 18812 1 628 . 1 1 71 71 ILE C C 13 177.3 0.2 . 1 . . . A 71 ILE C . 18812 1 629 . 1 1 71 71 ILE CA C 13 67.3 0.1 . 1 . . . A 71 ILE CA . 18812 1 630 . 1 1 71 71 ILE CB C 13 37.8 0.2 . 1 . . . A 71 ILE CB . 18812 1 631 . 1 1 71 71 ILE CG1 C 13 29.2 0.2 . 1 . . . A 71 ILE CG1 . 18812 1 632 . 1 1 71 71 ILE CG2 C 13 18.8 0.2 . 1 . . . A 71 ILE CG2 . 18812 1 633 . 1 1 71 71 ILE CD1 C 13 13.3 0.2 . 1 . . . A 71 ILE CD1 . 18812 1 634 . 1 1 71 71 ILE N N 15 119.1 0.2 . 1 . . . A 71 ILE N . 18812 1 635 . 1 1 72 72 GLU H H 1 8.46 0.02 . 1 . . . A 72 GLU H . 18812 1 636 . 1 1 72 72 GLU HA H 1 3.65 0.02 . 1 . . . A 72 GLU HA . 18812 1 637 . 1 1 72 72 GLU HB2 H 1 2.28 0.02 . 2 . . . A 72 GLU HB2 . 18812 1 638 . 1 1 72 72 GLU HB3 H 1 2.12 0.02 . 2 . . . A 72 GLU HB3 . 18812 1 639 . 1 1 72 72 GLU HG2 H 1 2.52 0.02 . 2 . . . A 72 GLU HG2 . 18812 1 640 . 1 1 72 72 GLU HG3 H 1 2.09 0.02 . 2 . . . A 72 GLU HG3 . 18812 1 641 . 1 1 72 72 GLU C C 13 178.0 0.2 . 1 . . . A 72 GLU C . 18812 1 642 . 1 1 72 72 GLU CA C 13 61.0 0.2 . 1 . . . A 72 GLU CA . 18812 1 643 . 1 1 72 72 GLU CB C 13 30.2 0.2 . 1 . . . A 72 GLU CB . 18812 1 644 . 1 1 72 72 GLU CG C 13 37.8 0.2 . 1 . . . A 72 GLU CG . 18812 1 645 . 1 1 72 72 GLU N N 15 116.2 0.2 . 1 . . . A 72 GLU N . 18812 1 646 . 1 1 73 73 LYS H H 1 8.02 0.02 . 1 . . . A 73 LYS H . 18812 1 647 . 1 1 73 73 LYS C C 13 179.0 0.2 . 1 . . . A 73 LYS C . 18812 1 648 . 1 1 73 73 LYS CA C 13 59.4 0.2 . 1 . . . A 73 LYS CA . 18812 1 649 . 1 1 73 73 LYS CB C 13 32.6 0.2 . 1 . . . A 73 LYS CB . 18812 1 650 . 1 1 73 73 LYS CG C 13 24.9 0.2 . 1 . . . A 73 LYS CG . 18812 1 651 . 1 1 73 73 LYS CD C 13 28.8 0.2 . 1 . . . A 73 LYS CD . 18812 1 652 . 1 1 73 73 LYS N N 15 118.6 0.2 . 1 . . . A 73 LYS N . 18812 1 653 . 1 1 74 74 PHE H H 1 8.87 0.02 . 1 . . . A 74 PHE H . 18812 1 654 . 1 1 74 74 PHE HA H 1 4.32 0.02 . 1 . . . A 74 PHE HA . 18812 1 655 . 1 1 74 74 PHE HB2 H 1 3.19 0.02 . 2 . . . A 74 PHE HB2 . 18812 1 656 . 1 1 74 74 PHE HB3 H 1 2.95 0.02 . 2 . . . A 74 PHE HB3 . 18812 1 657 . 1 1 74 74 PHE HD1 H 1 7.59 0.02 . 3 . . . A 74 PHE HD1 . 18812 1 658 . 1 1 74 74 PHE HD2 H 1 7.59 0.02 . 3 . . . A 74 PHE HD2 . 18812 1 659 . 1 1 74 74 PHE HE1 H 1 7.26 0.02 . 3 . . . A 74 PHE HE1 . 18812 1 660 . 1 1 74 74 PHE HE2 H 1 7.26 0.02 . 3 . . . A 74 PHE HE2 . 18812 1 661 . 1 1 74 74 PHE C C 13 179.4 0.2 . 1 . . . A 74 PHE C . 18812 1 662 . 1 1 74 74 PHE CA C 13 61.3 0.2 . 1 . . . A 74 PHE CA . 18812 1 663 . 1 1 74 74 PHE CB C 13 38.3 0.2 . 1 . . . A 74 PHE CB . 18812 1 664 . 1 1 74 74 PHE CD1 C 13 132.2 0.2 . 3 . . . A 74 PHE CD1 . 18812 1 665 . 1 1 74 74 PHE CD2 C 13 132.2 0.2 . 3 . . . A 74 PHE CD2 . 18812 1 666 . 1 1 74 74 PHE CE1 C 13 130.6 0.2 . 3 . . . A 74 PHE CE1 . 18812 1 667 . 1 1 74 74 PHE CE2 C 13 130.6 0.2 . 3 . . . A 74 PHE CE2 . 18812 1 668 . 1 1 74 74 PHE N N 15 118.5 0.2 . 1 . . . A 74 PHE N . 18812 1 669 . 1 1 75 75 ILE H H 1 8.57 0.02 . 1 . . . A 75 ILE H . 18812 1 670 . 1 1 75 75 ILE HA H 1 3.77 0.02 . 1 . . . A 75 ILE HA . 18812 1 671 . 1 1 75 75 ILE HB H 1 1.94 0.02 . 1 . . . A 75 ILE HB . 18812 1 672 . 1 1 75 75 ILE HG21 H 1 1.04 0.02 . 1 . . . A 75 ILE HG21 . 18812 1 673 . 1 1 75 75 ILE HG22 H 1 1.04 0.02 . 1 . . . A 75 ILE HG22 . 18812 1 674 . 1 1 75 75 ILE HG23 H 1 1.04 0.02 . 1 . . . A 75 ILE HG23 . 18812 1 675 . 1 1 75 75 ILE HD11 H 1 0.79 0.02 . 1 . . . A 75 ILE HD11 . 18812 1 676 . 1 1 75 75 ILE HD12 H 1 0.79 0.02 . 1 . . . A 75 ILE HD12 . 18812 1 677 . 1 1 75 75 ILE HD13 H 1 0.79 0.02 . 1 . . . A 75 ILE HD13 . 18812 1 678 . 1 1 75 75 ILE C C 13 177.9 0.2 . 1 . . . A 75 ILE C . 18812 1 679 . 1 1 75 75 ILE CA C 13 66.8 0.2 . 1 . . . A 75 ILE CA . 18812 1 680 . 1 1 75 75 ILE CB C 13 38.5 0.2 . 1 . . . A 75 ILE CB . 18812 1 681 . 1 1 75 75 ILE CG2 C 13 18.0 0.2 . 1 . . . A 75 ILE CG2 . 18812 1 682 . 1 1 75 75 ILE CD1 C 13 16.0 0.2 . 1 . . . A 75 ILE CD1 . 18812 1 683 . 1 1 75 75 ILE N N 15 119.0 0.2 . 1 . . . A 75 ILE N . 18812 1 684 . 1 1 76 76 ALA H H 1 8.23 0.02 . 1 . . . A 76 ALA H . 18812 1 685 . 1 1 76 76 ALA HA H 1 4.57 0.02 . 1 . . . A 76 ALA HA . 18812 1 686 . 1 1 76 76 ALA HB1 H 1 1.51 0.02 . 1 . . . A 76 ALA HB1 . 18812 1 687 . 1 1 76 76 ALA HB2 H 1 1.51 0.02 . 1 . . . A 76 ALA HB2 . 18812 1 688 . 1 1 76 76 ALA HB3 H 1 1.51 0.02 . 1 . . . A 76 ALA HB3 . 18812 1 689 . 1 1 76 76 ALA C C 13 181.0 0.2 . 1 . . . A 76 ALA C . 18812 1 690 . 1 1 76 76 ALA CA C 13 54.6 0.2 . 1 . . . A 76 ALA CA . 18812 1 691 . 1 1 76 76 ALA CB C 13 18.4 0.2 . 1 . . . A 76 ALA CB . 18812 1 692 . 1 1 76 76 ALA N N 15 122.2 0.2 . 1 . . . A 76 ALA N . 18812 1 693 . 1 1 77 77 ASP H H 1 7.90 0.02 . 1 . . . A 77 ASP H . 18812 1 694 . 1 1 77 77 ASP HA H 1 4.44 0.02 . 1 . . . A 77 ASP HA . 18812 1 695 . 1 1 77 77 ASP HB2 H 1 2.70 0.02 . 2 . . . A 77 ASP HB2 . 18812 1 696 . 1 1 77 77 ASP HB3 H 1 2.60 0.02 . 2 . . . A 77 ASP HB3 . 18812 1 697 . 1 1 77 77 ASP C C 13 177.2 0.2 . 1 . . . A 77 ASP C . 18812 1 698 . 1 1 77 77 ASP CA C 13 56.7 0.2 . 1 . . . A 77 ASP CA . 18812 1 699 . 1 1 77 77 ASP CB C 13 41.1 0.2 . 1 . . . A 77 ASP CB . 18812 1 700 . 1 1 77 77 ASP N N 15 117.2 0.2 . 1 . . . A 77 ASP N . 18812 1 701 . 1 1 78 78 VAL H H 1 7.73 0.02 . 1 . . . A 78 VAL H . 18812 1 702 . 1 1 78 78 VAL HA H 1 3.97 0.02 . 1 . . . A 78 VAL HA . 18812 1 703 . 1 1 78 78 VAL HB H 1 2.21 0.02 . 1 . . . A 78 VAL HB . 18812 1 704 . 1 1 78 78 VAL HG11 H 1 1.05 0.02 . 2 . . . A 78 VAL HG11 . 18812 1 705 . 1 1 78 78 VAL HG12 H 1 1.05 0.02 . 2 . . . A 78 VAL HG12 . 18812 1 706 . 1 1 78 78 VAL HG13 H 1 1.05 0.02 . 2 . . . A 78 VAL HG13 . 18812 1 707 . 1 1 78 78 VAL HG21 H 1 0.85 0.02 . 2 . . . A 78 VAL HG21 . 18812 1 708 . 1 1 78 78 VAL HG22 H 1 0.85 0.02 . 2 . . . A 78 VAL HG22 . 18812 1 709 . 1 1 78 78 VAL HG23 H 1 0.85 0.02 . 2 . . . A 78 VAL HG23 . 18812 1 710 . 1 1 78 78 VAL C C 13 177.8 0.2 . 1 . . . A 78 VAL C . 18812 1 711 . 1 1 78 78 VAL CA C 13 64.8 0.2 . 1 . . . A 78 VAL CA . 18812 1 712 . 1 1 78 78 VAL CB C 13 32.7 0.2 . 1 . . . A 78 VAL CB . 18812 1 713 . 1 1 78 78 VAL CG1 C 13 22.5 0.2 . 2 . . . A 78 VAL CG1 . 18812 1 714 . 1 1 78 78 VAL CG2 C 13 21.7 0.2 . 2 . . . A 78 VAL CG2 . 18812 1 715 . 1 1 78 78 VAL N N 15 118.1 0.2 . 1 . . . A 78 VAL N . 18812 1 716 . 1 1 79 79 THR H H 1 8.83 0.02 . 1 . . . A 79 THR H . 18812 1 717 . 1 1 79 79 THR HA H 1 4.10 0.02 . 1 . . . A 79 THR HA . 18812 1 718 . 1 1 79 79 THR HB H 1 3.98 0.02 . 1 . . . A 79 THR HB . 18812 1 719 . 1 1 79 79 THR HG21 H 1 1.05 0.02 . 1 . . . A 79 THR HG21 . 18812 1 720 . 1 1 79 79 THR HG22 H 1 1.05 0.02 . 1 . . . A 79 THR HG22 . 18812 1 721 . 1 1 79 79 THR HG23 H 1 1.05 0.02 . 1 . . . A 79 THR HG23 . 18812 1 722 . 1 1 79 79 THR C C 13 175.7 0.2 . 1 . . . A 79 THR C . 18812 1 723 . 1 1 79 79 THR CA C 13 69.4 0.2 . 1 . . . A 79 THR CA . 18812 1 724 . 1 1 79 79 THR CB C 13 63.1 0.2 . 1 . . . A 79 THR CB . 18812 1 725 . 1 1 79 79 THR CG2 C 13 22.5 0.2 . 1 . . . A 79 THR CG2 . 18812 1 726 . 1 1 79 79 THR N N 15 109.8 0.2 . 1 . . . A 79 THR N . 18812 1 727 . 1 1 80 80 LYS H H 1 8.44 0.02 . 1 . . . A 80 LYS H . 18812 1 728 . 1 1 80 80 LYS HA H 1 4.01 0.02 . 1 . . . A 80 LYS HA . 18812 1 729 . 1 1 80 80 LYS HB2 H 1 1.65 0.02 . 2 . . . A 80 LYS HB2 . 18812 1 730 . 1 1 80 80 LYS HB3 H 1 1.57 0.02 . 2 . . . A 80 LYS HB3 . 18812 1 731 . 1 1 80 80 LYS HG2 H 1 1.38 0.02 . 2 . . . A 80 LYS HG2 . 18812 1 732 . 1 1 80 80 LYS HG3 H 1 1.26 0.02 . 2 . . . A 80 LYS HG3 . 18812 1 733 . 1 1 80 80 LYS CA C 13 55.7 0.2 . 1 . . . A 80 LYS CA . 18812 1 734 . 1 1 80 80 LYS CB C 13 28.4 0.2 . 1 . . . A 80 LYS CB . 18812 1 735 . 1 1 80 80 LYS CG C 13 24.6 0.2 . 1 . . . A 80 LYS CG . 18812 1 736 . 1 1 80 80 LYS CD C 13 26.7 0.2 . 1 . . . A 80 LYS CD . 18812 1 737 . 1 1 80 80 LYS CE C 13 44.7 0.2 . 1 . . . A 80 LYS CE . 18812 1 738 . 1 1 80 80 LYS N N 15 115.7 0.2 . 1 . . . A 80 LYS N . 18812 1 739 . 1 1 81 81 ASP H H 1 8.14 0.02 . 1 . . . A 81 ASP H . 18812 1 740 . 1 1 81 81 ASP HA H 1 4.85 0.02 . 1 . . . A 81 ASP HA . 18812 1 741 . 1 1 81 81 ASP HB2 H 1 2.77 0.02 . 2 . . . A 81 ASP HB2 . 18812 1 742 . 1 1 81 81 ASP HB3 H 1 2.45 0.02 . 2 . . . A 81 ASP HB3 . 18812 1 743 . 1 1 81 81 ASP C C 13 174.4 0.2 . 1 . . . A 81 ASP C . 18812 1 744 . 1 1 81 81 ASP CA C 13 51.2 0.2 . 1 . . . A 81 ASP CA . 18812 1 745 . 1 1 81 81 ASP CB C 13 44.4 0.2 . 1 . . . A 81 ASP CB . 18812 1 746 . 1 1 81 81 ASP N N 15 119.6 0.2 . 1 . . . A 81 ASP N . 18812 1 747 . 1 1 82 82 GLU H H 1 8.81 0.02 . 1 . . . A 82 GLU H . 18812 1 748 . 1 1 82 82 GLU HA H 1 4.45 0.02 . 1 . . . A 82 GLU HA . 18812 1 749 . 1 1 82 82 GLU HB2 H 1 1.90 0.02 . 2 . . . A 82 GLU HB2 . 18812 1 750 . 1 1 82 82 GLU HB3 H 1 1.84 0.02 . 2 . . . A 82 GLU HB3 . 18812 1 751 . 1 1 82 82 GLU CA C 13 54.2 0.2 . 1 . . . A 82 GLU CA . 18812 1 752 . 1 1 82 82 GLU CB C 13 29.9 0.2 . 1 . . . A 82 GLU CB . 18812 1 753 . 1 1 82 82 GLU N N 15 120.5 0.2 . 1 . . . A 82 GLU N . 18812 1 754 . 1 1 83 83 PRO HA H 1 4.65 0.02 . 1 . . . A 83 PRO HA . 18812 1 755 . 1 1 83 83 PRO HB2 H 1 2.19 0.02 . 2 . . . A 83 PRO HB2 . 18812 1 756 . 1 1 83 83 PRO HB3 H 1 1.90 0.02 . 2 . . . A 83 PRO HB3 . 18812 1 757 . 1 1 83 83 PRO HG2 H 1 2.37 0.02 . 2 . . . A 83 PRO HG2 . 18812 1 758 . 1 1 83 83 PRO HG3 H 1 1.96 0.02 . 2 . . . A 83 PRO HG3 . 18812 1 759 . 1 1 83 83 PRO HD2 H 1 4.12 0.02 . 2 . . . A 83 PRO HD2 . 18812 1 760 . 1 1 83 83 PRO HD3 H 1 3.78 0.02 . 2 . . . A 83 PRO HD3 . 18812 1 761 . 1 1 83 83 PRO C C 13 176.9 0.2 . 1 . . . A 83 PRO C . 18812 1 762 . 1 1 83 83 PRO CA C 13 62.4 0.2 . 1 . . . A 83 PRO CA . 18812 1 763 . 1 1 83 83 PRO CB C 13 32.6 0.2 . 1 . . . A 83 PRO CB . 18812 1 764 . 1 1 83 83 PRO CG C 13 28.4 0.2 . 1 . . . A 83 PRO CG . 18812 1 765 . 1 1 83 83 PRO CD C 13 51.0 0.2 . 1 . . . A 83 PRO CD . 18812 1 766 . 1 1 84 84 THR H H 1 9.55 0.02 . 1 . . . A 84 THR H . 18812 1 767 . 1 1 84 84 THR HA H 1 4.59 0.02 . 1 . . . A 84 THR HA . 18812 1 768 . 1 1 84 84 THR HB H 1 4.66 0.02 . 1 . . . A 84 THR HB . 18812 1 769 . 1 1 84 84 THR HG21 H 1 1.31 0.02 . 1 . . . A 84 THR HG21 . 18812 1 770 . 1 1 84 84 THR HG22 H 1 1.31 0.02 . 1 . . . A 84 THR HG22 . 18812 1 771 . 1 1 84 84 THR HG23 H 1 1.31 0.02 . 1 . . . A 84 THR HG23 . 18812 1 772 . 1 1 84 84 THR C C 13 175.0 0.2 . 1 . . . A 84 THR C . 18812 1 773 . 1 1 84 84 THR CA C 13 59.8 0.2 . 1 . . . A 84 THR CA . 18812 1 774 . 1 1 84 84 THR CB C 13 71.7 0.2 . 1 . . . A 84 THR CB . 18812 1 775 . 1 1 84 84 THR CG2 C 13 22.2 0.2 . 1 . . . A 84 THR CG2 . 18812 1 776 . 1 1 84 84 THR N N 15 115.3 0.2 . 1 . . . A 84 THR N . 18812 1 777 . 1 1 85 85 ALA H H 1 8.97 0.02 . 1 . . . A 85 ALA H . 18812 1 778 . 1 1 85 85 ALA HA H 1 4.06 0.02 . 1 . . . A 85 ALA HA . 18812 1 779 . 1 1 85 85 ALA HB1 H 1 1.50 0.02 . 1 . . . A 85 ALA HB1 . 18812 1 780 . 1 1 85 85 ALA HB2 H 1 1.50 0.02 . 1 . . . A 85 ALA HB2 . 18812 1 781 . 1 1 85 85 ALA HB3 H 1 1.50 0.02 . 1 . . . A 85 ALA HB3 . 18812 1 782 . 1 1 85 85 ALA C C 13 180.9 0.2 . 1 . . . A 85 ALA C . 18812 1 783 . 1 1 85 85 ALA CA C 13 55.3 0.2 . 1 . . . A 85 ALA CA . 18812 1 784 . 1 1 85 85 ALA CB C 13 18.0 0.2 . 1 . . . A 85 ALA CB . 18812 1 785 . 1 1 85 85 ALA N N 15 124.4 0.2 . 1 . . . A 85 ALA N . 18812 1 786 . 1 1 86 86 GLN H H 1 8.68 0.02 . 1 . . . A 86 GLN H . 18812 1 787 . 1 1 86 86 GLN HA H 1 4.12 0.02 . 1 . . . A 86 GLN HA . 18812 1 788 . 1 1 86 86 GLN HB2 H 1 2.17 0.02 . 2 . . . A 86 GLN HB2 . 18812 1 789 . 1 1 86 86 GLN HB3 H 1 2.04 0.02 . 2 . . . A 86 GLN HB3 . 18812 1 790 . 1 1 86 86 GLN HG2 H 1 2.48 0.02 . 2 . . . A 86 GLN HG2 . 18812 1 791 . 1 1 86 86 GLN HG3 H 1 2.43 0.02 . 2 . . . A 86 GLN HG3 . 18812 1 792 . 1 1 86 86 GLN HE21 H 1 7.63 0.02 . 2 . . . A 86 GLN HE21 . 18812 1 793 . 1 1 86 86 GLN HE22 H 1 6.99 0.02 . 2 . . . A 86 GLN HE22 . 18812 1 794 . 1 1 86 86 GLN CA C 13 58.9 0.2 . 1 . . . A 86 GLN CA . 18812 1 795 . 1 1 86 86 GLN CB C 13 28.1 0.2 . 1 . . . A 86 GLN CB . 18812 1 796 . 1 1 86 86 GLN CG C 13 34.3 0.2 . 1 . . . A 86 GLN CG . 18812 1 797 . 1 1 86 86 GLN N N 15 116.5 0.2 . 1 . . . A 86 GLN N . 18812 1 798 . 1 1 86 86 GLN NE2 N 15 111.9 0.2 . 1 . . . A 86 GLN NE2 . 18812 1 799 . 1 1 87 87 ASP H H 1 7.82 0.02 . 1 . . . A 87 ASP H . 18812 1 800 . 1 1 87 87 ASP HA H 1 4.60 0.02 . 1 . . . A 87 ASP HA . 18812 1 801 . 1 1 87 87 ASP HB2 H 1 3.01 0.02 . 2 . . . A 87 ASP HB2 . 18812 1 802 . 1 1 87 87 ASP HB3 H 1 2.50 0.02 . 2 . . . A 87 ASP HB3 . 18812 1 803 . 1 1 87 87 ASP C C 13 178.2 0.2 . 1 . . . A 87 ASP C . 18812 1 804 . 1 1 87 87 ASP CA C 13 57.8 0.2 . 1 . . . A 87 ASP CA . 18812 1 805 . 1 1 87 87 ASP CB C 13 39.7 0.2 . 1 . . . A 87 ASP CB . 18812 1 806 . 1 1 87 87 ASP N N 15 122.3 0.2 . 1 . . . A 87 ASP N . 18812 1 807 . 1 1 88 88 ILE H H 1 8.16 0.02 . 1 . . . A 88 ILE H . 18812 1 808 . 1 1 88 88 ILE HA H 1 3.48 0.02 . 1 . . . A 88 ILE HA . 18812 1 809 . 1 1 88 88 ILE HB H 1 1.95 0.02 . 1 . . . A 88 ILE HB . 18812 1 810 . 1 1 88 88 ILE HG12 H 1 1.88 0.02 . 2 . . . A 88 ILE HG12 . 18812 1 811 . 1 1 88 88 ILE HG13 H 1 0.75 0.02 . 2 . . . A 88 ILE HG13 . 18812 1 812 . 1 1 88 88 ILE HG21 H 1 0.91 0.02 . 1 . . . A 88 ILE HG21 . 18812 1 813 . 1 1 88 88 ILE HG22 H 1 0.91 0.02 . 1 . . . A 88 ILE HG22 . 18812 1 814 . 1 1 88 88 ILE HG23 H 1 0.91 0.02 . 1 . . . A 88 ILE HG23 . 18812 1 815 . 1 1 88 88 ILE HD11 H 1 0.88 0.02 . 1 . . . A 88 ILE HD11 . 18812 1 816 . 1 1 88 88 ILE HD12 H 1 0.88 0.02 . 1 . . . A 88 ILE HD12 . 18812 1 817 . 1 1 88 88 ILE HD13 H 1 0.88 0.02 . 1 . . . A 88 ILE HD13 . 18812 1 818 . 1 1 88 88 ILE C C 13 177.8 0.2 . 1 . . . A 88 ILE C . 18812 1 819 . 1 1 88 88 ILE CA C 13 65.8 0.2 . 1 . . . A 88 ILE CA . 18812 1 820 . 1 1 88 88 ILE CB C 13 38.3 0.2 . 1 . . . A 88 ILE CB . 18812 1 821 . 1 1 88 88 ILE CG1 C 13 29.6 0.2 . 1 . . . A 88 ILE CG1 . 18812 1 822 . 1 1 88 88 ILE CG2 C 13 16.7 0.2 . 1 . . . A 88 ILE CG2 . 18812 1 823 . 1 1 88 88 ILE CD1 C 13 14.9 0.2 . 1 . . . A 88 ILE CD1 . 18812 1 824 . 1 1 88 88 ILE N N 15 120.9 0.2 . 1 . . . A 88 ILE N . 18812 1 825 . 1 1 89 89 SER H H 1 7.97 0.02 . 1 . . . A 89 SER H . 18812 1 826 . 1 1 89 89 SER HA H 1 4.24 0.02 . 1 . . . A 89 SER HA . 18812 1 827 . 1 1 89 89 SER HB2 H 1 4.05 0.02 . 2 . . . A 89 SER HB2 . 18812 1 828 . 1 1 89 89 SER HB3 H 1 4.05 0.02 . 2 . . . A 89 SER HB3 . 18812 1 829 . 1 1 89 89 SER C C 13 177.2 0.2 . 1 . . . A 89 SER C . 18812 1 830 . 1 1 89 89 SER CA C 13 61.7 0.2 . 1 . . . A 89 SER CA . 18812 1 831 . 1 1 89 89 SER CB C 13 62.7 0.2 . 1 . . . A 89 SER CB . 18812 1 832 . 1 1 89 89 SER N N 15 113.2 0.2 . 1 . . . A 89 SER N . 18812 1 833 . 1 1 90 90 ARG H H 1 8.45 0.02 . 1 . . . A 90 ARG H . 18812 1 834 . 1 1 90 90 ARG HA H 1 4.11 0.02 . 1 . . . A 90 ARG HA . 18812 1 835 . 1 1 90 90 ARG HB2 H 1 2.07 0.02 . 2 . . . A 90 ARG HB2 . 18812 1 836 . 1 1 90 90 ARG HB3 H 1 2.04 0.02 . 2 . . . A 90 ARG HB3 . 18812 1 837 . 1 1 90 90 ARG HD2 H 1 3.31 0.02 . 2 . . . A 90 ARG HD2 . 18812 1 838 . 1 1 90 90 ARG HD3 H 1 3.31 0.02 . 2 . . . A 90 ARG HD3 . 18812 1 839 . 1 1 90 90 ARG CA C 13 59.9 0.2 . 1 . . . A 90 ARG CA . 18812 1 840 . 1 1 90 90 ARG CB C 13 31.7 0.2 . 1 . . . A 90 ARG CB . 18812 1 841 . 1 1 90 90 ARG CD C 13 44.9 0.2 . 1 . . . A 90 ARG CD . 18812 1 842 . 1 1 90 90 ARG N N 15 123.1 0.2 . 1 . . . A 90 ARG N . 18812 1 843 . 1 1 91 91 VAL H H 1 8.14 0.02 . 1 . . . A 91 VAL H . 18812 1 844 . 1 1 91 91 VAL HA H 1 3.43 0.02 . 1 . . . A 91 VAL HA . 18812 1 845 . 1 1 91 91 VAL HB H 1 2.13 0.02 . 1 . . . A 91 VAL HB . 18812 1 846 . 1 1 91 91 VAL HG11 H 1 1.01 0.02 . 2 . . . A 91 VAL HG11 . 18812 1 847 . 1 1 91 91 VAL HG12 H 1 1.01 0.02 . 2 . . . A 91 VAL HG12 . 18812 1 848 . 1 1 91 91 VAL HG13 H 1 1.01 0.02 . 2 . . . A 91 VAL HG13 . 18812 1 849 . 1 1 91 91 VAL HG21 H 1 0.78 0.02 . 2 . . . A 91 VAL HG21 . 18812 1 850 . 1 1 91 91 VAL HG22 H 1 0.78 0.02 . 2 . . . A 91 VAL HG22 . 18812 1 851 . 1 1 91 91 VAL HG23 H 1 0.78 0.02 . 2 . . . A 91 VAL HG23 . 18812 1 852 . 1 1 91 91 VAL C C 13 177.3 0.2 . 1 . . . A 91 VAL C . 18812 1 853 . 1 1 91 91 VAL CA C 13 66.8 0.2 . 1 . . . A 91 VAL CA . 18812 1 854 . 1 1 91 91 VAL CB C 13 31.7 0.2 . 1 . . . A 91 VAL CB . 18812 1 855 . 1 1 91 91 VAL CG1 C 13 23.6 0.2 . . . . . A 91 VAL CG1 . 18812 1 856 . 1 1 91 91 VAL CG2 C 13 22.4 0.2 . . . . . A 91 VAL CG2 . 18812 1 857 . 1 1 91 91 VAL N N 15 119.2 0.2 . 1 . . . A 91 VAL N . 18812 1 858 . 1 1 92 92 ALA H H 1 9.02 0.02 . 1 . . . A 92 ALA H . 18812 1 859 . 1 1 92 92 ALA HA H 1 3.96 0.02 . 1 . . . A 92 ALA HA . 18812 1 860 . 1 1 92 92 ALA HB1 H 1 1.48 0.02 . 1 . . . A 92 ALA HB1 . 18812 1 861 . 1 1 92 92 ALA HB2 H 1 1.48 0.02 . 1 . . . A 92 ALA HB2 . 18812 1 862 . 1 1 92 92 ALA HB3 H 1 1.48 0.02 . 1 . . . A 92 ALA HB3 . 18812 1 863 . 1 1 92 92 ALA C C 13 179.2 0.2 . 1 . . . A 92 ALA C . 18812 1 864 . 1 1 92 92 ALA CA C 13 55.9 0.2 . 1 . . . A 92 ALA CA . 18812 1 865 . 1 1 92 92 ALA CB C 13 18.4 0.2 . 1 . . . A 92 ALA CB . 18812 1 866 . 1 1 92 92 ALA N N 15 121.1 0.2 . 1 . . . A 92 ALA N . 18812 1 867 . 1 1 93 93 SER H H 1 8.73 0.02 . 1 . . . A 93 SER H . 18812 1 868 . 1 1 93 93 SER HA H 1 4.24 0.02 . 1 . . . A 93 SER HA . 18812 1 869 . 1 1 93 93 SER HB2 H 1 4.02 0.02 . 2 . . . A 93 SER HB2 . 18812 1 870 . 1 1 93 93 SER HB3 H 1 4.07 0.02 . 2 . . . A 93 SER HB3 . 18812 1 871 . 1 1 93 93 SER C C 13 177.3 0.2 . 1 . . . A 93 SER C . 18812 1 872 . 1 1 93 93 SER CA C 13 62.0 0.2 . 1 . . . A 93 SER CA . 18812 1 873 . 1 1 93 93 SER CB C 13 62.7 0.2 . 1 . . . A 93 SER CB . 18812 1 874 . 1 1 93 93 SER N N 15 112.1 0.2 . 1 . . . A 93 SER N . 18812 1 875 . 1 1 94 94 ARG H H 1 7.52 0.02 . 1 . . . A 94 ARG H . 18812 1 876 . 1 1 94 94 ARG HA H 1 4.26 0.02 . 1 . . . A 94 ARG HA . 18812 1 877 . 1 1 94 94 ARG HB2 H 1 2.03 0.02 . 2 . . . A 94 ARG HB2 . 18812 1 878 . 1 1 94 94 ARG HB3 H 1 1.97 0.02 . 2 . . . A 94 ARG HB3 . 18812 1 879 . 1 1 94 94 ARG HG2 H 1 1.79 0.02 . 2 . . . A 94 ARG HG2 . 18812 1 880 . 1 1 94 94 ARG HG3 H 1 1.73 0.02 . 2 . . . A 94 ARG HG3 . 18812 1 881 . 1 1 94 94 ARG HD2 H 1 3.26 0.02 . 2 . . . A 94 ARG HD2 . 18812 1 882 . 1 1 94 94 ARG HD3 H 1 3.26 0.02 . 2 . . . A 94 ARG HD3 . 18812 1 883 . 1 1 94 94 ARG C C 13 179.9 0.2 . 1 . . . A 94 ARG C . 18812 1 884 . 1 1 94 94 ARG CA C 13 57.8 0.2 . 1 . . . A 94 ARG CA . 18812 1 885 . 1 1 94 94 ARG CB C 13 29.2 0.2 . 1 . . . A 94 ARG CB . 18812 1 886 . 1 1 94 94 ARG CG C 13 27.1 0.2 . 1 . . . A 94 ARG CG . 18812 1 887 . 1 1 94 94 ARG CD C 13 41.7 0.2 . 1 . . . A 94 ARG CD . 18812 1 888 . 1 1 94 94 ARG N N 15 122.5 0.2 . 1 . . . A 94 ARG N . 18812 1 889 . 1 1 95 95 LEU H H 1 8.35 0.02 . 1 . . . A 95 LEU H . 18812 1 890 . 1 1 95 95 LEU HA H 1 4.24 0.02 . 1 . . . A 95 LEU HA . 18812 1 891 . 1 1 95 95 LEU HB2 H 1 2.25 0.02 . 2 . . . A 95 LEU HB2 . 18812 1 892 . 1 1 95 95 LEU HB3 H 1 2.25 0.02 . 2 . . . A 95 LEU HB3 . 18812 1 893 . 1 1 95 95 LEU HG H 1 1.48 0.02 . 1 . . . A 95 LEU HG . 18812 1 894 . 1 1 95 95 LEU HD11 H 1 0.73 0.02 . 2 . . . A 95 LEU HD11 . 18812 1 895 . 1 1 95 95 LEU HD12 H 1 0.73 0.02 . 2 . . . A 95 LEU HD12 . 18812 1 896 . 1 1 95 95 LEU HD13 H 1 0.73 0.02 . 2 . . . A 95 LEU HD13 . 18812 1 897 . 1 1 95 95 LEU HD21 H 1 0.51 0.02 . 2 . . . A 95 LEU HD21 . 18812 1 898 . 1 1 95 95 LEU HD22 H 1 0.51 0.02 . 2 . . . A 95 LEU HD22 . 18812 1 899 . 1 1 95 95 LEU HD23 H 1 0.51 0.02 . 2 . . . A 95 LEU HD23 . 18812 1 900 . 1 1 95 95 LEU C C 13 179.0 0.2 . 1 . . . A 95 LEU C . 18812 1 901 . 1 1 95 95 LEU CA C 13 58.1 0.2 . 1 . . . A 95 LEU CA . 18812 1 902 . 1 1 95 95 LEU CB C 13 41.8 0.2 . 1 . . . A 95 LEU CB . 18812 1 903 . 1 1 95 95 LEU CD1 C 13 27.7 0.2 . 2 . . . A 95 LEU CD1 . 18812 1 904 . 1 1 95 95 LEU CD2 C 13 25.1 0.2 . 2 . . . A 95 LEU CD2 . 18812 1 905 . 1 1 95 95 LEU N N 15 121.5 0.2 . 1 . . . A 95 LEU N . 18812 1 906 . 1 1 96 96 ALA H H 1 8.74 0.02 . 1 . . . A 96 ALA H . 18812 1 907 . 1 1 96 96 ALA HA H 1 4.32 0.02 . 1 . . . A 96 ALA HA . 18812 1 908 . 1 1 96 96 ALA HB1 H 1 1.55 0.02 . 1 . . . A 96 ALA HB1 . 18812 1 909 . 1 1 96 96 ALA HB2 H 1 1.55 0.02 . 1 . . . A 96 ALA HB2 . 18812 1 910 . 1 1 96 96 ALA HB3 H 1 1.55 0.02 . 1 . . . A 96 ALA HB3 . 18812 1 911 . 1 1 96 96 ALA C C 13 182.2 0.2 . 1 . . . A 96 ALA C . 18812 1 912 . 1 1 96 96 ALA CA C 13 55.1 0.2 . 1 . . . A 96 ALA CA . 18812 1 913 . 1 1 96 96 ALA CB C 13 18.0 0.2 . 1 . . . A 96 ALA CB . 18812 1 914 . 1 1 96 96 ALA N N 15 121.9 0.2 . 1 . . . A 96 ALA N . 18812 1 915 . 1 1 97 97 ALA H H 1 8.19 0.02 . 1 . . . A 97 ALA H . 18812 1 916 . 1 1 97 97 ALA HA H 1 4.23 0.02 . 1 . . . A 97 ALA HA . 18812 1 917 . 1 1 97 97 ALA HB1 H 1 1.61 0.02 . 1 . . . A 97 ALA HB1 . 18812 1 918 . 1 1 97 97 ALA HB2 H 1 1.61 0.02 . 1 . . . A 97 ALA HB2 . 18812 1 919 . 1 1 97 97 ALA HB3 H 1 1.61 0.02 . 1 . . . A 97 ALA HB3 . 18812 1 920 . 1 1 97 97 ALA C C 13 179.2 0.2 . 1 . . . A 97 ALA C . 18812 1 921 . 1 1 97 97 ALA CA C 13 54.6 0.2 . 1 . . . A 97 ALA CA . 18812 1 922 . 1 1 97 97 ALA CB C 13 18.0 0.2 . 1 . . . A 97 ALA CB . 18812 1 923 . 1 1 97 97 ALA N N 15 121.4 0.2 . 1 . . . A 97 ALA N . 18812 1 924 . 1 1 98 98 GLY H H 1 7.71 0.02 . 1 . . . A 98 GLY H . 18812 1 925 . 1 1 98 98 GLY HA2 H 1 4.40 0.02 . 2 . . . A 98 GLY HA2 . 18812 1 926 . 1 1 98 98 GLY HA3 H 1 3.88 0.02 . 2 . . . A 98 GLY HA3 . 18812 1 927 . 1 1 98 98 GLY C C 13 173.7 0.2 . 1 . . . A 98 GLY C . 18812 1 928 . 1 1 98 98 GLY CA C 13 44.8 0.2 . 1 . . . A 98 GLY CA . 18812 1 929 . 1 1 98 98 GLY N N 15 103.5 0.2 . 1 . . . A 98 GLY N . 18812 1 930 . 1 1 99 99 GLY H H 1 7.71 0.02 . 1 . . . A 99 GLY H . 18812 1 931 . 1 1 99 99 GLY HA2 H 1 3.90 0.02 . 2 . . . A 99 GLY HA2 . 18812 1 932 . 1 1 99 99 GLY HA3 H 1 3.70 0.02 . 2 . . . A 99 GLY HA3 . 18812 1 933 . 1 1 99 99 GLY CA C 13 45.2 0.2 . 1 . . . A 99 GLY CA . 18812 1 934 . 1 1 99 99 GLY N N 15 107.6 0.2 . 1 . . . A 99 GLY N . 18812 1 935 . 1 1 100 100 TRP H H 1 7.82 0.02 . 1 . . . A 100 TRP H . 18812 1 936 . 1 1 100 100 TRP HB2 H 1 3.25 0.02 . 2 . . . A 100 TRP HB2 . 18812 1 937 . 1 1 100 100 TRP HB3 H 1 2.81 0.02 . 2 . . . A 100 TRP HB3 . 18812 1 938 . 1 1 100 100 TRP HD1 H 1 7.53 0.02 . 1 . . . A 100 TRP HD1 . 18812 1 939 . 1 1 100 100 TRP HE1 H 1 10.25 0.02 . 1 . . . A 100 TRP HE1 . 18812 1 940 . 1 1 100 100 TRP HE3 H 1 7.87 0.02 . 1 . . . A 100 TRP HE3 . 18812 1 941 . 1 1 100 100 TRP HZ2 H 1 7.47 0.02 . 1 . . . A 100 TRP HZ2 . 18812 1 942 . 1 1 100 100 TRP HZ3 H 1 7.07 0.02 . 1 . . . A 100 TRP HZ3 . 18812 1 943 . 1 1 100 100 TRP HH2 H 1 7.26 0.02 . 1 . . . A 100 TRP HH2 . 18812 1 944 . 1 1 100 100 TRP CB C 13 52.3 0.2 . 1 . . . A 100 TRP CB . 18812 1 945 . 1 1 100 100 TRP CD1 C 13 126.5 0.2 . 1 . . . A 100 TRP CD1 . 18812 1 946 . 1 1 100 100 TRP CE3 C 13 120.6 0.2 . 1 . . . A 100 TRP CE3 . 18812 1 947 . 1 1 100 100 TRP CZ2 C 13 114.4 0.2 . 1 . . . A 100 TRP CZ2 . 18812 1 948 . 1 1 100 100 TRP CZ3 C 13 121.9 0.2 . 1 . . . A 100 TRP CZ3 . 18812 1 949 . 1 1 100 100 TRP CH2 C 13 125.2 0.2 . 1 . . . A 100 TRP CH2 . 18812 1 950 . 1 1 100 100 TRP N N 15 123.6 0.2 . 1 . . . A 100 TRP N . 18812 1 951 . 1 1 100 100 TRP NE1 N 15 128.4 0.2 . 1 . . . A 100 TRP NE1 . 18812 1 952 . 1 1 101 101 PRO HA H 1 3.93 0.02 . 1 . . . A 101 PRO HA . 18812 1 953 . 1 1 101 101 PRO HB2 H 1 1.89 0.02 . 2 . . . A 101 PRO HB2 . 18812 1 954 . 1 1 101 101 PRO HB3 H 1 1.89 0.02 . 2 . . . A 101 PRO HB3 . 18812 1 955 . 1 1 101 101 PRO HG2 H 1 1.78 0.02 . 2 . . . A 101 PRO HG2 . 18812 1 956 . 1 1 101 101 PRO HG3 H 1 1.71 0.02 . 2 . . . A 101 PRO HG3 . 18812 1 957 . 1 1 101 101 PRO HD2 H 1 3.54 0.02 . 2 . . . A 101 PRO HD2 . 18812 1 958 . 1 1 101 101 PRO HD3 H 1 3.41 0.02 . 2 . . . A 101 PRO HD3 . 18812 1 959 . 1 1 101 101 PRO C C 13 175.6 0.2 . 1 . . . A 101 PRO C . 18812 1 960 . 1 1 101 101 PRO CA C 13 62.6 0.2 . 1 . . . A 101 PRO CA . 18812 1 961 . 1 1 101 101 PRO CB C 13 34.2 0.2 . 1 . . . A 101 PRO CB . 18812 1 962 . 1 1 101 101 PRO CG C 13 24.6 0.2 . 1 . . . A 101 PRO CG . 18812 1 963 . 1 1 101 101 PRO CD C 13 50.0 0.2 . 1 . . . A 101 PRO CD . 18812 1 964 . 1 1 102 102 LEU H H 1 8.47 0.02 . 1 . . . A 102 LEU H . 18812 1 965 . 1 1 102 102 LEU N N 15 122.8 0.2 . 1 . . . A 102 LEU N . 18812 1 966 . 1 1 103 103 ALA HA H 1 4.66 0.02 . 1 . . . A 103 ALA HA . 18812 1 967 . 1 1 103 103 ALA HB1 H 1 1.27 0.02 . 1 . . . A 103 ALA HB1 . 18812 1 968 . 1 1 103 103 ALA HB2 H 1 1.27 0.02 . 1 . . . A 103 ALA HB2 . 18812 1 969 . 1 1 103 103 ALA HB3 H 1 1.27 0.02 . 1 . . . A 103 ALA HB3 . 18812 1 970 . 1 1 103 103 ALA C C 13 177.1 0.2 . 1 . . . A 103 ALA C . 18812 1 971 . 1 1 103 103 ALA CA C 13 51.5 0.2 . 1 . . . A 103 ALA CA . 18812 1 972 . 1 1 103 103 ALA CB C 13 21.7 0.2 . 1 . . . A 103 ALA CB . 18812 1 973 . 1 1 104 104 GLY H H 1 8.70 0.02 . 1 . . . A 104 GLY H . 18812 1 974 . 1 1 104 104 GLY HA2 H 1 4.16 0.02 . 2 . . . A 104 GLY HA2 . 18812 1 975 . 1 1 104 104 GLY HA3 H 1 3.83 0.02 . 2 . . . A 104 GLY HA3 . 18812 1 976 . 1 1 104 104 GLY C C 13 173.9 0.2 . 1 . . . A 104 GLY C . 18812 1 977 . 1 1 104 104 GLY CA C 13 45.9 0.2 . 1 . . . A 104 GLY CA . 18812 1 978 . 1 1 104 104 GLY N N 15 108.5 0.2 . 1 . . . A 104 GLY N . 18812 1 979 . 1 1 105 105 VAL H H 1 7.66 0.02 . 1 . . . A 105 VAL H . 18812 1 980 . 1 1 105 105 VAL HA H 1 4.22 0.02 . 1 . . . A 105 VAL HA . 18812 1 981 . 1 1 105 105 VAL HB H 1 1.99 0.02 . 1 . . . A 105 VAL HB . 18812 1 982 . 1 1 105 105 VAL HG11 H 1 0.80 0.02 . 2 . . . A 105 VAL HG11 . 18812 1 983 . 1 1 105 105 VAL HG12 H 1 0.80 0.02 . 2 . . . A 105 VAL HG12 . 18812 1 984 . 1 1 105 105 VAL HG13 H 1 0.80 0.02 . 2 . . . A 105 VAL HG13 . 18812 1 985 . 1 1 105 105 VAL HG21 H 1 0.80 0.02 . 2 . . . A 105 VAL HG21 . 18812 1 986 . 1 1 105 105 VAL HG22 H 1 0.80 0.02 . 2 . . . A 105 VAL HG22 . 18812 1 987 . 1 1 105 105 VAL HG23 H 1 0.80 0.02 . 2 . . . A 105 VAL HG23 . 18812 1 988 . 1 1 105 105 VAL C C 13 174.7 0.2 . 1 . . . A 105 VAL C . 18812 1 989 . 1 1 105 105 VAL CA C 13 61.0 0.2 . 1 . . . A 105 VAL CA . 18812 1 990 . 1 1 105 105 VAL CB C 13 33.1 0.2 . 1 . . . A 105 VAL CB . 18812 1 991 . 1 1 105 105 VAL CG1 C 13 20.7 0.2 . 2 . . . A 105 VAL CG1 . 18812 1 992 . 1 1 105 105 VAL CG2 C 13 20.7 0.2 . 2 . . . A 105 VAL CG2 . 18812 1 993 . 1 1 105 105 VAL N N 15 116.7 0.2 . 1 . . . A 105 VAL N . 18812 1 994 . 1 1 106 106 ASP H H 1 8.60 0.02 . 1 . . . A 106 ASP H . 18812 1 995 . 1 1 106 106 ASP HA H 1 4.67 0.02 . 1 . . . A 106 ASP HA . 18812 1 996 . 1 1 106 106 ASP HB2 H 1 2.77 0.02 . 2 . . . A 106 ASP HB2 . 18812 1 997 . 1 1 106 106 ASP HB3 H 1 2.68 0.02 . 2 . . . A 106 ASP HB3 . 18812 1 998 . 1 1 106 106 ASP C C 13 176.5 0.2 . 1 . . . A 106 ASP C . 18812 1 999 . 1 1 106 106 ASP CA C 13 54.0 0.2 . 1 . . . A 106 ASP CA . 18812 1 1000 . 1 1 106 106 ASP CB C 13 41.3 0.2 . 1 . . . A 106 ASP CB . 18812 1 1001 . 1 1 106 106 ASP N N 15 125.1 0.2 . 1 . . . A 106 ASP N . 18812 1 1002 . 1 1 107 107 SER H H 1 8.56 0.02 . 1 . . . A 107 SER H . 18812 1 1003 . 1 1 107 107 SER HA H 1 4.32 0.02 . 1 . . . A 107 SER HA . 18812 1 1004 . 1 1 107 107 SER HB2 H 1 3.97 0.02 . 2 . . . A 107 SER HB2 . 18812 1 1005 . 1 1 107 107 SER HB3 H 1 3.86 0.02 . 2 . . . A 107 SER HB3 . 18812 1 1006 . 1 1 107 107 SER C C 13 175.4 0.2 . 1 . . . A 107 SER C . 18812 1 1007 . 1 1 107 107 SER CA C 13 59.5 0.2 . 1 . . . A 107 SER CA . 18812 1 1008 . 1 1 107 107 SER CB C 13 63.2 0.2 . 1 . . . A 107 SER CB . 18812 1 1009 . 1 1 107 107 SER N N 15 117.4 0.2 . 1 . . . A 107 SER N . 18812 1 1010 . 1 1 108 108 THR H H 1 8.23 0.02 . 1 . . . A 108 THR H . 18812 1 1011 . 1 1 108 108 THR HA H 1 4.26 0.02 . 1 . . . A 108 THR HA . 18812 1 1012 . 1 1 108 108 THR HG21 H 1 1.25 0.02 . 1 . . . A 108 THR HG21 . 18812 1 1013 . 1 1 108 108 THR HG22 H 1 1.25 0.02 . 1 . . . A 108 THR HG22 . 18812 1 1014 . 1 1 108 108 THR HG23 H 1 1.25 0.02 . 1 . . . A 108 THR HG23 . 18812 1 1015 . 1 1 108 108 THR C C 13 174.8 0.2 . 1 . . . A 108 THR C . 18812 1 1016 . 1 1 108 108 THR CA C 13 63.0 0.2 . 1 . . . A 108 THR CA . 18812 1 1017 . 1 1 108 108 THR CB C 13 69.3 0.2 . 1 . . . A 108 THR CB . 18812 1 1018 . 1 1 108 108 THR CG2 C 13 21.5 0.2 . 1 . . . A 108 THR CG2 . 18812 1 1019 . 1 1 108 108 THR N N 15 115.1 0.2 . 1 . . . A 108 THR N . 18812 1 1020 . 1 1 109 109 ALA H H 1 8.02 0.02 . 1 . . . A 109 ALA H . 18812 1 1021 . 1 1 109 109 ALA HA H 1 4.36 0.02 . 1 . . . A 109 ALA HA . 18812 1 1022 . 1 1 109 109 ALA HB1 H 1 1.41 0.02 . 1 . . . A 109 ALA HB1 . 18812 1 1023 . 1 1 109 109 ALA HB2 H 1 1.41 0.02 . 1 . . . A 109 ALA HB2 . 18812 1 1024 . 1 1 109 109 ALA HB3 H 1 1.41 0.02 . 1 . . . A 109 ALA HB3 . 18812 1 1025 . 1 1 109 109 ALA C C 13 177.5 0.2 . 1 . . . A 109 ALA C . 18812 1 1026 . 1 1 109 109 ALA CA C 13 52.5 0.2 . 1 . . . A 109 ALA CA . 18812 1 1027 . 1 1 109 109 ALA CB C 13 19.1 0.2 . 1 . . . A 109 ALA CB . 18812 1 1028 . 1 1 109 109 ALA N N 15 125.0 0.2 . 1 . . . A 109 ALA N . 18812 1 1029 . 1 1 110 110 LEU H H 1 7.88 0.02 . 1 . . . A 110 LEU H . 18812 1 1030 . 1 1 110 110 LEU HA H 1 4.35 0.02 . 1 . . . A 110 LEU HA . 18812 1 1031 . 1 1 110 110 LEU HB2 H 1 1.68 0.02 . 2 . . . A 110 LEU HB2 . 18812 1 1032 . 1 1 110 110 LEU HB3 H 1 1.57 0.02 . 2 . . . A 110 LEU HB3 . 18812 1 1033 . 1 1 110 110 LEU HG H 1 1.57 0.02 . 1 . . . A 110 LEU HG . 18812 1 1034 . 1 1 110 110 LEU HD11 H 1 0.89 0.02 . 2 . . . A 110 LEU HD11 . 18812 1 1035 . 1 1 110 110 LEU HD12 H 1 0.89 0.02 . 2 . . . A 110 LEU HD12 . 18812 1 1036 . 1 1 110 110 LEU HD13 H 1 0.89 0.02 . 2 . . . A 110 LEU HD13 . 18812 1 1037 . 1 1 110 110 LEU HD21 H 1 0.84 0.02 . 2 . . . A 110 LEU HD21 . 18812 1 1038 . 1 1 110 110 LEU HD22 H 1 0.84 0.02 . 2 . . . A 110 LEU HD22 . 18812 1 1039 . 1 1 110 110 LEU HD23 H 1 0.84 0.02 . 2 . . . A 110 LEU HD23 . 18812 1 1040 . 1 1 110 110 LEU C C 13 176.8 0.2 . 1 . . . A 110 LEU C . 18812 1 1041 . 1 1 110 110 LEU CA C 13 55.0 0.2 . 1 . . . A 110 LEU CA . 18812 1 1042 . 1 1 110 110 LEU CB C 13 42.0 0.2 . 1 . . . A 110 LEU CB . 18812 1 1043 . 1 1 110 110 LEU CG C 13 26.7 0.2 . 1 . . . A 110 LEU CG . 18812 1 1044 . 1 1 110 110 LEU CD1 C 13 25.0 0.2 . 2 . . . A 110 LEU CD1 . 18812 1 1045 . 1 1 110 110 LEU CD2 C 13 23.3 0.2 . 2 . . . A 110 LEU CD2 . 18812 1 1046 . 1 1 110 110 LEU N N 15 119.4 0.2 . 1 . . . A 110 LEU N . 18812 1 1047 . 1 1 111 111 ASN H H 1 8.23 0.02 . 1 . . . A 111 ASN H . 18812 1 1048 . 1 1 111 111 ASN HA H 1 4.73 0.02 . 1 . . . A 111 ASN HA . 18812 1 1049 . 1 1 111 111 ASN HB2 H 1 2.85 0.02 . 2 . . . A 111 ASN HB2 . 18812 1 1050 . 1 1 111 111 ASN HB3 H 1 2.74 0.02 . 2 . . . A 111 ASN HB3 . 18812 1 1051 . 1 1 111 111 ASN HD21 H 1 7.62 0.02 . 2 . . . A 111 ASN HD21 . 18812 1 1052 . 1 1 111 111 ASN HD22 H 1 6.91 0.02 . 2 . . . A 111 ASN HD22 . 18812 1 1053 . 1 1 111 111 ASN C C 13 173.6 0.2 . 1 . . . A 111 ASN C . 18812 1 1054 . 1 1 111 111 ASN CA C 13 52.9 0.2 . 1 . . . A 111 ASN CA . 18812 1 1055 . 1 1 111 111 ASN CB C 13 39.0 0.2 . 1 . . . A 111 ASN CB . 18812 1 1056 . 1 1 111 111 ASN N N 15 118.7 0.2 . 1 . . . A 111 ASN N . 18812 1 1057 . 1 1 111 111 ASN ND2 N 15 112.8 0.2 . 1 . . . A 111 ASN ND2 . 18812 1 1058 . 1 1 112 112 ALA H H 1 7.84 0.02 . 1 . . . A 112 ALA H . 18812 1 1059 . 1 1 112 112 ALA HA H 1 4.13 0.02 . 1 . . . A 112 ALA HA . 18812 1 1060 . 1 1 112 112 ALA HB1 H 1 1.34 0.02 . 1 . . . A 112 ALA HB1 . 18812 1 1061 . 1 1 112 112 ALA HB2 H 1 1.34 0.02 . 1 . . . A 112 ALA HB2 . 18812 1 1062 . 1 1 112 112 ALA HB3 H 1 1.34 0.02 . 1 . . . A 112 ALA HB3 . 18812 1 1063 . 1 1 112 112 ALA CA C 13 53.8 0.2 . 1 . . . A 112 ALA CA . 18812 1 1064 . 1 1 112 112 ALA CB C 13 20.2 0.2 . 1 . . . A 112 ALA CB . 18812 1 1065 . 1 1 112 112 ALA N N 15 129.3 0.2 . 1 . . . A 112 ALA N . 18812 1 stop_ save_