data_19419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19419 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of C-ala domain from Bizionia argentinensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-09 _Entry.Accession_date 2013-08-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Clara Smal . . . 19419 2 Serena Zanzoni . . . 19419 3 Mariapina D'Onofrio . . . 19419 4 Michael Assfalg . . . 19419 5 Daniel Cicero . . . 19419 6 Henriette Molinari . . . 19419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 19419 '15N chemical shifts' 130 19419 '1H chemical shifts' 860 19419 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-09-30 2013-08-09 update BMRB 'update entry citation' 19419 1 . . 2014-02-13 2013-08-09 original author 'original release' 19419 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19419 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-013-9529-8 _Citation.PubMed_ID 24258519 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C chemical shift assignments of the C-Ala domain of the alanyl-tRNA synthetase of the psychrophilic bacterium Bizionia argentinensis sp. nov.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 415 _Citation.Page_last 418 _Citation.Year 2014 _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 Clara Smal C. . . 19419 1 2 Serena Zanzoni S. . . 19419 1 3 Mariapina D'Onofrio M. . . 19419 1 4 Henriette Molinari H. . . 19419 1 5 Daniel Cicero D. O. . 19419 1 6 Michael Assfalg M. . . 19419 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alanyl-tRNA synthetase' 19419 1 'Bizionia Argentinensis' 19419 1 'C-Ala domain' 19419 1 'Psychrophilic Bacteria' 19419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19419 _Assembly.ID 1 _Assembly.Name 'C-Ala domain of alanyl-tRNA synthetase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-Ala domain' 1 $C-ala_domain A . yes native no no . . . 19419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-ala_domain _Entity.Sf_category entity _Entity.Sf_framecode C-ala_domain _Entity.Entry_ID 19419 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-ala_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKAKNLKGELKNEITEINGI HFLAKKVDLDAGGIKDLCFE LGSQYDNLFLLFGAENDGKA LLSCYVSKELVERKGLNAGQ IVRELGKFIQGGGGGQPFFA TAGGKNPAGIAEALEAAKKY LV ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 GB EGV44671 . "alanyl-tRNA synthetase [Bizionia argentinensis JUB59]" . . . . . 99.18 883 100.00 100.00 2.76e-72 . . . . 19419 1 2 no REF WP_008634899 . "alanine--tRNA ligase [Bizionia argentinensis]" . . . . . 99.18 883 100.00 100.00 2.76e-72 . . . . 19419 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 . 19419 1 2 . LYS . 19419 1 3 . ALA . 19419 1 4 . LYS . 19419 1 5 . ASN . 19419 1 6 . LEU . 19419 1 7 . LYS . 19419 1 8 . GLY . 19419 1 9 . GLU . 19419 1 10 . LEU . 19419 1 11 . LYS . 19419 1 12 . ASN . 19419 1 13 . GLU . 19419 1 14 . ILE . 19419 1 15 . THR . 19419 1 16 . GLU . 19419 1 17 . ILE . 19419 1 18 . ASN . 19419 1 19 . GLY . 19419 1 20 . ILE . 19419 1 21 . HIS . 19419 1 22 . PHE . 19419 1 23 . LEU . 19419 1 24 . ALA . 19419 1 25 . LYS . 19419 1 26 . LYS . 19419 1 27 . VAL . 19419 1 28 . ASP . 19419 1 29 . LEU . 19419 1 30 . ASP . 19419 1 31 . ALA . 19419 1 32 . GLY . 19419 1 33 . GLY . 19419 1 34 . ILE . 19419 1 35 . LYS . 19419 1 36 . ASP . 19419 1 37 . LEU . 19419 1 38 . CYS . 19419 1 39 . PHE . 19419 1 40 . GLU . 19419 1 41 . LEU . 19419 1 42 . GLY . 19419 1 43 . SER . 19419 1 44 . GLN . 19419 1 45 . TYR . 19419 1 46 . ASP . 19419 1 47 . ASN . 19419 1 48 . LEU . 19419 1 49 . PHE . 19419 1 50 . LEU . 19419 1 51 . LEU . 19419 1 52 . PHE . 19419 1 53 . GLY . 19419 1 54 . ALA . 19419 1 55 . GLU . 19419 1 56 . ASN . 19419 1 57 . ASP . 19419 1 58 . GLY . 19419 1 59 . LYS . 19419 1 60 . ALA . 19419 1 61 . LEU . 19419 1 62 . LEU . 19419 1 63 . SER . 19419 1 64 . CYS . 19419 1 65 . TYR . 19419 1 66 . VAL . 19419 1 67 . SER . 19419 1 68 . LYS . 19419 1 69 . GLU . 19419 1 70 . LEU . 19419 1 71 . VAL . 19419 1 72 . GLU . 19419 1 73 . ARG . 19419 1 74 . LYS . 19419 1 75 . GLY . 19419 1 76 . LEU . 19419 1 77 . ASN . 19419 1 78 . ALA . 19419 1 79 . GLY . 19419 1 80 . GLN . 19419 1 81 . ILE . 19419 1 82 . VAL . 19419 1 83 . ARG . 19419 1 84 . GLU . 19419 1 85 . LEU . 19419 1 86 . GLY . 19419 1 87 . LYS . 19419 1 88 . PHE . 19419 1 89 . ILE . 19419 1 90 . GLN . 19419 1 91 . GLY . 19419 1 92 . GLY . 19419 1 93 . GLY . 19419 1 94 . GLY . 19419 1 95 . GLY . 19419 1 96 . GLN . 19419 1 97 . PRO . 19419 1 98 . PHE . 19419 1 99 . PHE . 19419 1 100 . ALA . 19419 1 101 . THR . 19419 1 102 . ALA . 19419 1 103 . GLY . 19419 1 104 . GLY . 19419 1 105 . LYS . 19419 1 106 . ASN . 19419 1 107 . PRO . 19419 1 108 . ALA . 19419 1 109 . GLY . 19419 1 110 . ILE . 19419 1 111 . ALA . 19419 1 112 . GLU . 19419 1 113 . ALA . 19419 1 114 . LEU . 19419 1 115 . GLU . 19419 1 116 . ALA . 19419 1 117 . ALA . 19419 1 118 . LYS . 19419 1 119 . LYS . 19419 1 120 . TYR . 19419 1 121 . LEU . 19419 1 122 . VAL . 19419 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 19419 1 . LYS 2 2 19419 1 . ALA 3 3 19419 1 . LYS 4 4 19419 1 . ASN 5 5 19419 1 . LEU 6 6 19419 1 . LYS 7 7 19419 1 . GLY 8 8 19419 1 . GLU 9 9 19419 1 . LEU 10 10 19419 1 . LYS 11 11 19419 1 . ASN 12 12 19419 1 . GLU 13 13 19419 1 . ILE 14 14 19419 1 . THR 15 15 19419 1 . GLU 16 16 19419 1 . ILE 17 17 19419 1 . ASN 18 18 19419 1 . GLY 19 19 19419 1 . ILE 20 20 19419 1 . HIS 21 21 19419 1 . PHE 22 22 19419 1 . LEU 23 23 19419 1 . ALA 24 24 19419 1 . LYS 25 25 19419 1 . LYS 26 26 19419 1 . VAL 27 27 19419 1 . ASP 28 28 19419 1 . LEU 29 29 19419 1 . ASP 30 30 19419 1 . ALA 31 31 19419 1 . GLY 32 32 19419 1 . GLY 33 33 19419 1 . ILE 34 34 19419 1 . LYS 35 35 19419 1 . ASP 36 36 19419 1 . LEU 37 37 19419 1 . CYS 38 38 19419 1 . PHE 39 39 19419 1 . GLU 40 40 19419 1 . LEU 41 41 19419 1 . GLY 42 42 19419 1 . SER 43 43 19419 1 . GLN 44 44 19419 1 . TYR 45 45 19419 1 . ASP 46 46 19419 1 . ASN 47 47 19419 1 . LEU 48 48 19419 1 . PHE 49 49 19419 1 . LEU 50 50 19419 1 . LEU 51 51 19419 1 . PHE 52 52 19419 1 . GLY 53 53 19419 1 . ALA 54 54 19419 1 . GLU 55 55 19419 1 . ASN 56 56 19419 1 . ASP 57 57 19419 1 . GLY 58 58 19419 1 . LYS 59 59 19419 1 . ALA 60 60 19419 1 . LEU 61 61 19419 1 . LEU 62 62 19419 1 . SER 63 63 19419 1 . CYS 64 64 19419 1 . TYR 65 65 19419 1 . VAL 66 66 19419 1 . SER 67 67 19419 1 . LYS 68 68 19419 1 . GLU 69 69 19419 1 . LEU 70 70 19419 1 . VAL 71 71 19419 1 . GLU 72 72 19419 1 . ARG 73 73 19419 1 . LYS 74 74 19419 1 . GLY 75 75 19419 1 . LEU 76 76 19419 1 . ASN 77 77 19419 1 . ALA 78 78 19419 1 . GLY 79 79 19419 1 . GLN 80 80 19419 1 . ILE 81 81 19419 1 . VAL 82 82 19419 1 . ARG 83 83 19419 1 . GLU 84 84 19419 1 . LEU 85 85 19419 1 . GLY 86 86 19419 1 . LYS 87 87 19419 1 . PHE 88 88 19419 1 . ILE 89 89 19419 1 . GLN 90 90 19419 1 . GLY 91 91 19419 1 . GLY 92 92 19419 1 . GLY 93 93 19419 1 . GLY 94 94 19419 1 . GLY 95 95 19419 1 . GLN 96 96 19419 1 . PRO 97 97 19419 1 . PHE 98 98 19419 1 . PHE 99 99 19419 1 . ALA 100 100 19419 1 . THR 101 101 19419 1 . ALA 102 102 19419 1 . GLY 103 103 19419 1 . GLY 104 104 19419 1 . LYS 105 105 19419 1 . ASN 106 106 19419 1 . PRO 107 107 19419 1 . ALA 108 108 19419 1 . GLY 109 109 19419 1 . ILE 110 110 19419 1 . ALA 111 111 19419 1 . GLU 112 112 19419 1 . ALA 113 113 19419 1 . LEU 114 114 19419 1 . GLU 115 115 19419 1 . ALA 116 116 19419 1 . ALA 117 117 19419 1 . LYS 118 118 19419 1 . LYS 119 119 19419 1 . TYR 120 120 19419 1 . LEU 121 121 19419 1 . VAL 122 122 19419 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 19419 _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 $C-ala_domain . 456455 organism . 'Bizionia argentinensis sp. nov.' 'Bizionia argentinensis' . . Bacteria . Bizionia argentinensis . . . . . . . . . . . . . . . . . . . . . 19419 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 19419 _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 $C-ala_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST-527 . . . . . . 19419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19419 _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 'C-ala domain' '[U-98% 13C; U-98% 15N]' . . 1 $C-ala_domain . . 0.5 . . mM . . . . 19419 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19419 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19419 _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 'C-ala domain' '[U-98% 13C; U-98% 15N]' . . 1 $C-ala_domain . . 0.5 . . mM . . . . 19419 2 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19419 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19419 _Sample.ID 3 _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 'C-ala domain' '[U-99% 15N]' . . 1 $C-ala_domain . . 0.5 . . mM . . . . 19419 3 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19419 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19419 _Sample.ID 4 _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 'C-ala domain' 'natural abundance' . . 1 $C-ala_domain . . 0.5 . . mM . . . . 19419 4 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19419 4 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 19419 _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' 0.1 . M 19419 1 pH 6.6 . pH 19419 1 pressure 1 . atm 19419 1 temperature 298 . K 19419 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19419 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19419 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19419 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19419 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19419 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19419 2 processing 19419 2 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 19419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with Cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19419 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'with Cryo probe' . . 19419 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 19419 _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 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 6 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 7 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 8 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 9 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 10 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 11 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 12 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 13 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 14 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 15 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19419 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19419 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19419 _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 TSP 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 19419 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 19419 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 19419 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 19419 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 4 '3D CBCA(CO)NH' . . . 19419 1 5 '3D HNCACB' . . . 19419 1 6 '3D HCCH-TOCSY' . . . 19419 1 7 '3D HNCO' . . . 19419 1 8 '3D HNCA' . . . 19419 1 9 '3D HBHA(CO)NH' . . . 19419 1 10 '2D 1H-1H NOESY' . . . 19419 1 11 '2D 1H-1H TOCSY' . . . 19419 1 12 '3D 1H-15N NOESY' . . . 19419 1 13 '3D 1H-13C NOESY aliphatic' . . . 19419 1 14 '3D 1H-13C NOESY aromatic' . . . 19419 1 15 '3D 1H-13C NOESY aliphatic' . . . 19419 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 176.3150 0.4 . 1 . . . . 1 MET C . 19419 1 2 . 1 1 2 2 LYS H H 1 8.5490 0.03 . 1 . . . . 2 LYS HN . 19419 1 3 . 1 1 2 2 LYS HA H 1 4.2770 0.03 . 1 . . . . 2 LYS HA . 19419 1 4 . 1 1 2 2 LYS HB2 H 1 1.8110 0.03 . 2 . . . . 2 LYS HB1 . 19419 1 5 . 1 1 2 2 LYS HB3 H 1 1.7650 0.03 . 2 . . . . 2 LYS HB2 . 19419 1 6 . 1 1 2 2 LYS HG2 H 1 1.4680 0.03 . 2 . . . . 2 LYS HG1 . 19419 1 7 . 1 1 2 2 LYS HG3 H 1 1.4290 0.03 . 2 . . . . 2 LYS HG2 . 19419 1 8 . 1 1 2 2 LYS HE2 H 1 2.9870 0.03 . 2 . . . . 2 LYS HE1 . 19419 1 9 . 1 1 2 2 LYS HE3 H 1 2.9870 0.03 . 2 . . . . 2 LYS HE2 . 19419 1 10 . 1 1 2 2 LYS C C 13 176.7250 0.4 . 1 . . . . 2 LYS C . 19419 1 11 . 1 1 2 2 LYS CA C 13 56.6990 0.4 . 1 . . . . 2 LYS CA . 19419 1 12 . 1 1 2 2 LYS CB C 13 32.9250 0.4 . 1 . . . . 2 LYS CB . 19419 1 13 . 1 1 2 2 LYS CG C 13 24.7660 0.4 . 1 . . . . 2 LYS CG . 19419 1 14 . 1 1 2 2 LYS N N 15 123.1460 0.4 . 1 . . . . 2 LYS N . 19419 1 15 . 1 1 3 3 ALA H H 1 8.4720 0.03 . 1 . . . . 3 ALA HN . 19419 1 16 . 1 1 3 3 ALA HA H 1 4.2050 0.03 . 1 . . . . 3 ALA HA . 19419 1 17 . 1 1 3 3 ALA HB1 H 1 1.3880 0.03 . 1 . . . . 3 ALA HB1 . 19419 1 18 . 1 1 3 3 ALA HB2 H 1 1.3880 0.03 . 1 . . . . 3 ALA HB1 . 19419 1 19 . 1 1 3 3 ALA HB3 H 1 1.3880 0.03 . 1 . . . . 3 ALA HB1 . 19419 1 20 . 1 1 3 3 ALA C C 13 178.0720 0.4 . 1 . . . . 3 ALA C . 19419 1 21 . 1 1 3 3 ALA CA C 13 53.0180 0.4 . 1 . . . . 3 ALA CA . 19419 1 22 . 1 1 3 3 ALA CB C 13 19.1150 0.4 . 1 . . . . 3 ALA CB . 19419 1 23 . 1 1 3 3 ALA N N 15 125.4240 0.4 . 1 . . . . 3 ALA N . 19419 1 24 . 1 1 4 4 LYS H H 1 8.3420 0.03 . 1 . . . . 4 LYS HN . 19419 1 25 . 1 1 4 4 LYS HA H 1 4.1560 0.03 . 1 . . . . 4 LYS HA . 19419 1 26 . 1 1 4 4 LYS HB2 H 1 1.7810 0.03 . 2 . . . . 4 LYS HB1 . 19419 1 27 . 1 1 4 4 LYS HB3 H 1 1.7810 0.03 . 2 . . . . 4 LYS HB2 . 19419 1 28 . 1 1 4 4 LYS HD2 H 1 1.6800 0.03 . 2 . . . . 4 LYS HD1 . 19419 1 29 . 1 1 4 4 LYS HD3 H 1 1.6820 0.03 . 2 . . . . 4 LYS HD2 . 19419 1 30 . 1 1 4 4 LYS HE2 H 1 3.0500 0.03 . 2 . . . . 4 LYS HG1 . 19419 1 31 . 1 1 4 4 LYS HE3 H 1 3.0500 0.03 . 2 . . . . 4 LYS HG2 . 19419 1 32 . 1 1 4 4 LYS C C 13 176.9520 0.4 . 1 . . . . 4 LYS C . 19419 1 33 . 1 1 4 4 LYS CA C 13 57.2970 0.4 . 1 . . . . 4 LYS CA . 19419 1 34 . 1 1 4 4 LYS CB C 13 32.9300 0.4 . 1 . . . . 4 LYS CB . 19419 1 35 . 1 1 4 4 LYS CD C 13 29.4570 0.4 . 1 . . . . 4 LYS CD . 19419 1 36 . 1 1 4 4 LYS CE C 13 42.0750 0.4 . 1 . . . . 4 LYS CE . 19419 1 37 . 1 1 4 4 LYS N N 15 120.1770 0.4 . 1 . . . . 4 LYS N . 19419 1 38 . 1 1 5 5 ASN H H 1 8.4410 0.03 . 1 . . . . 5 ASN HN . 19419 1 39 . 1 1 5 5 ASN HA H 1 4.7270 0.03 . 1 . . . . 5 ASN HA . 19419 1 40 . 1 1 5 5 ASN HB2 H 1 2.9640 0.03 . 2 . . . . 5 ASN HB1 . 19419 1 41 . 1 1 5 5 ASN HB3 H 1 2.7620 0.03 . 2 . . . . 5 ASN HB2 . 19419 1 42 . 1 1 5 5 ASN HD21 H 1 7.7230 0.03 . 2 . . . . 5 ASN HD21 . 19419 1 43 . 1 1 5 5 ASN HD22 H 1 6.9900 0.03 . 2 . . . . 5 ASN HD22 . 19419 1 44 . 1 1 5 5 ASN C C 13 175.6810 0.4 . 1 . . . . 5 ASN C . 19419 1 45 . 1 1 5 5 ASN CA C 13 53.1330 0.4 . 1 . . . . 5 ASN CA . 19419 1 46 . 1 1 5 5 ASN CB C 13 38.4910 0.4 . 1 . . . . 5 ASN CB . 19419 1 47 . 1 1 5 5 ASN N N 15 119.2250 0.4 . 1 . . . . 5 ASN N . 19419 1 48 . 1 1 5 5 ASN ND2 N 15 112.5390 0.4 . 1 . . . . 5 ASN ND2 . 19419 1 49 . 1 1 6 6 LEU H H 1 8.1890 0.03 . 1 . . . . 6 LEU HN . 19419 1 50 . 1 1 6 6 LEU HA H 1 4.1530 0.03 . 1 . . . . 6 LEU HA . 19419 1 51 . 1 1 6 6 LEU HB2 H 1 1.6240 0.03 . 2 . . . . 6 LEU HB1 . 19419 1 52 . 1 1 6 6 LEU HB3 H 1 1.6080 0.03 . 2 . . . . 6 LEU HB2 . 19419 1 53 . 1 1 6 6 LEU HG H 1 1.5280 0.03 . 1 . . . . 6 LEU HG . 19419 1 54 . 1 1 6 6 LEU HD11 H 1 0.8530 0.03 . 2 . . . . 6 LEU HD11 . 19419 1 55 . 1 1 6 6 LEU HD12 H 1 0.8530 0.03 . 2 . . . . 6 LEU HD11 . 19419 1 56 . 1 1 6 6 LEU HD13 H 1 0.8530 0.03 . 2 . . . . 6 LEU HD11 . 19419 1 57 . 1 1 6 6 LEU HD21 H 1 0.8410 0.03 . 2 . . . . 6 LEU HD21 . 19419 1 58 . 1 1 6 6 LEU HD22 H 1 0.8410 0.03 . 2 . . . . 6 LEU HD21 . 19419 1 59 . 1 1 6 6 LEU HD23 H 1 0.8410 0.03 . 2 . . . . 6 LEU HD21 . 19419 1 60 . 1 1 6 6 LEU C C 13 178.1020 0.4 . 1 . . . . 6 LEU C . 19419 1 61 . 1 1 6 6 LEU CA C 13 57.3300 0.4 . 1 . . . . 6 LEU CA . 19419 1 62 . 1 1 6 6 LEU CB C 13 42.2820 0.4 . 1 . . . . 6 LEU CB . 19419 1 63 . 1 1 6 6 LEU CG C 13 27.1280 0.4 . 1 . . . . 6 LEU CG . 19419 1 64 . 1 1 6 6 LEU CD1 C 13 24.6560 0.4 . 2 . . . . 6 LEU CD1 . 19419 1 65 . 1 1 6 6 LEU CD2 C 13 24.3740 0.4 . 2 . . . . 6 LEU CD2 . 19419 1 66 . 1 1 6 6 LEU N N 15 123.2640 0.4 . 1 . . . . 6 LEU N . 19419 1 67 . 1 1 7 7 LYS H H 1 8.3630 0.03 . 1 . . . . 7 LYS HN . 19419 1 68 . 1 1 7 7 LYS HA H 1 3.7710 0.03 . 1 . . . . 7 LYS HA . 19419 1 69 . 1 1 7 7 LYS HB2 H 1 1.7720 0.03 . 2 . . . . 7 LYS HB1 . 19419 1 70 . 1 1 7 7 LYS HB3 H 1 1.7720 0.03 . 2 . . . . 7 LYS HB2 . 19419 1 71 . 1 1 7 7 LYS HG2 H 1 1.3880 0.03 . 2 . . . . 7 LYS HG1 . 19419 1 72 . 1 1 7 7 LYS HG3 H 1 1.3240 0.03 . 2 . . . . 7 LYS HG2 . 19419 1 73 . 1 1 7 7 LYS HD2 H 1 1.6020 0.03 . 2 . . . . 7 LYS HD1 . 19419 1 74 . 1 1 7 7 LYS HD3 H 1 1.6020 0.03 . 2 . . . . 7 LYS HD2 . 19419 1 75 . 1 1 7 7 LYS HE2 H 1 2.9330 0.03 . 2 . . . . 7 LYS HE1 . 19419 1 76 . 1 1 7 7 LYS HE3 H 1 2.8740 0.03 . 2 . . . . 7 LYS HE2 . 19419 1 77 . 1 1 7 7 LYS C C 13 177.7150 0.4 . 1 . . . . 7 LYS C . 19419 1 78 . 1 1 7 7 LYS CA C 13 60.1570 0.4 . 1 . . . . 7 LYS CA . 19419 1 79 . 1 1 7 7 LYS CB C 13 31.8120 0.4 . 1 . . . . 7 LYS CB . 19419 1 80 . 1 1 7 7 LYS CG C 13 25.0290 0.4 . 1 . . . . 7 LYS CG . 19419 1 81 . 1 1 7 7 LYS CD C 13 29.4510 0.4 . 1 . . . . 7 LYS CD . 19419 1 82 . 1 1 7 7 LYS CE C 13 42.0210 0.4 . 1 . . . . 7 LYS CE . 19419 1 83 . 1 1 7 7 LYS N N 15 118.1620 0.4 . 1 . . . . 7 LYS N . 19419 1 84 . 1 1 8 8 GLY H H 1 7.9090 0.03 . 1 . . . . 8 GLY HN . 19419 1 85 . 1 1 8 8 GLY HA2 H 1 3.8420 0.03 . 2 . . . . 8 GLY HA1 . 19419 1 86 . 1 1 8 8 GLY HA3 H 1 3.8110 0.03 . 2 . . . . 8 GLY HA2 . 19419 1 87 . 1 1 8 8 GLY C C 13 175.9220 0.4 . 1 . . . . 8 GLY C . 19419 1 88 . 1 1 8 8 GLY CA C 13 46.7560 0.4 . 1 . . . . 8 GLY CA . 19419 1 89 . 1 1 8 8 GLY N N 15 105.7510 0.4 . 1 . . . . 8 GLY N . 19419 1 90 . 1 1 9 9 GLU H H 1 7.9270 0.03 . 1 . . . . 9 GLU HN . 19419 1 91 . 1 1 9 9 GLU HA H 1 4.1670 0.03 . 1 . . . . 9 GLU HA . 19419 1 92 . 1 1 9 9 GLU HB2 H 1 2.0940 0.03 . 2 . . . . 9 GLU HB1 . 19419 1 93 . 1 1 9 9 GLU HB3 H 1 2.0940 0.03 . 2 . . . . 9 GLU HB2 . 19419 1 94 . 1 1 9 9 GLU HG2 H 1 2.3540 0.03 . 2 . . . . 9 GLU HG1 . 19419 1 95 . 1 1 9 9 GLU HG3 H 1 2.2390 0.03 . 2 . . . . 9 GLU HG2 . 19419 1 96 . 1 1 9 9 GLU C C 13 179.2820 0.4 . 1 . . . . 9 GLU C . 19419 1 97 . 1 1 9 9 GLU CA C 13 58.3940 0.4 . 1 . . . . 9 GLU CA . 19419 1 98 . 1 1 9 9 GLU CB C 13 29.9900 0.4 . 1 . . . . 9 GLU CB . 19419 1 99 . 1 1 9 9 GLU CG C 13 36.2980 0.4 . 1 . . . . 9 GLU CG . 19419 1 100 . 1 1 9 9 GLU N N 15 121.1030 0.4 . 1 . . . . 9 GLU N . 19419 1 101 . 1 1 10 10 LEU H H 1 8.3080 0.03 . 1 . . . . 10 LEU HN . 19419 1 102 . 1 1 10 10 LEU HA H 1 4.0600 0.03 . 1 . . . . 10 LEU HA . 19419 1 103 . 1 1 10 10 LEU HB2 H 1 1.8230 0.03 . 2 . . . . 10 LEU HB1 . 19419 1 104 . 1 1 10 10 LEU HB3 H 1 1.3230 0.03 . 2 . . . . 10 LEU HB2 . 19419 1 105 . 1 1 10 10 LEU HG H 1 1.9070 0.03 . 1 . . . . 10 LEU HG . 19419 1 106 . 1 1 10 10 LEU HD11 H 1 0.8030 0.03 . 2 . . . . 10 LEU HD11 . 19419 1 107 . 1 1 10 10 LEU HD12 H 1 0.8030 0.03 . 2 . . . . 10 LEU HD11 . 19419 1 108 . 1 1 10 10 LEU HD13 H 1 0.8030 0.03 . 2 . . . . 10 LEU HD11 . 19419 1 109 . 1 1 10 10 LEU HD21 H 1 0.8030 0.03 . 2 . . . . 10 LEU HD21 . 19419 1 110 . 1 1 10 10 LEU HD22 H 1 0.8030 0.03 . 2 . . . . 10 LEU HD21 . 19419 1 111 . 1 1 10 10 LEU HD23 H 1 0.8030 0.03 . 2 . . . . 10 LEU HD21 . 19419 1 112 . 1 1 10 10 LEU C C 13 179.2650 0.4 . 1 . . . . 10 LEU C . 19419 1 113 . 1 1 10 10 LEU CA C 13 57.5120 0.4 . 1 . . . . 10 LEU CA . 19419 1 114 . 1 1 10 10 LEU CB C 13 41.2190 0.4 . 1 . . . . 10 LEU CB . 19419 1 115 . 1 1 10 10 LEU CG C 13 26.5780 0.4 . 1 . . . . 10 LEU CG . 19419 1 116 . 1 1 10 10 LEU CD1 C 13 23.3250 0.4 . 2 . . . . 10 LEU CD1 . 19419 1 117 . 1 1 10 10 LEU CD2 C 13 23.3250 0.4 . 2 . . . . 10 LEU CD2 . 19419 1 118 . 1 1 10 10 LEU N N 15 118.8600 0.4 . 1 . . . . 10 LEU N . 19419 1 119 . 1 1 11 11 LYS H H 1 8.0030 0.03 . 1 . . . . 11 LYS HN . 19419 1 120 . 1 1 11 11 LYS HA H 1 3.9010 0.03 . 1 . . . . 11 LYS HA . 19419 1 121 . 1 1 11 11 LYS HB2 H 1 1.9120 0.03 . 2 . . . . 11 LYS HB1 . 19419 1 122 . 1 1 11 11 LYS HB3 H 1 1.9120 0.03 . 2 . . . . 11 LYS HB2 . 19419 1 123 . 1 1 11 11 LYS HG2 H 1 1.6000 0.03 . 2 . . . . 11 LYS HG1 . 19419 1 124 . 1 1 11 11 LYS HG3 H 1 1.4960 0.03 . 2 . . . . 11 LYS HG2 . 19419 1 125 . 1 1 11 11 LYS HD2 H 1 1.7340 0.03 . 2 . . . . 11 LYS HD1 . 19419 1 126 . 1 1 11 11 LYS HD3 H 1 1.6710 0.03 . 2 . . . . 11 LYS HD2 . 19419 1 127 . 1 1 11 11 LYS HE2 H 1 2.9700 0.03 . 2 . . . . 11 LYS HE1 . 19419 1 128 . 1 1 11 11 LYS HE3 H 1 2.9710 0.03 . 2 . . . . 11 LYS HE2 . 19419 1 129 . 1 1 11 11 LYS C C 13 178.4760 0.4 . 1 . . . . 11 LYS C . 19419 1 130 . 1 1 11 11 LYS CA C 13 59.6930 0.4 . 1 . . . . 11 LYS CA . 19419 1 131 . 1 1 11 11 LYS CB C 13 31.9630 0.4 . 1 . . . . 11 LYS CB . 19419 1 132 . 1 1 11 11 LYS CG C 13 25.1080 0.4 . 1 . . . . 11 LYS CG . 19419 1 133 . 1 1 11 11 LYS CD C 13 29.4050 0.4 . 1 . . . . 11 LYS CD . 19419 1 134 . 1 1 11 11 LYS CE C 13 42.1060 0.4 . 1 . . . . 11 LYS CE . 19419 1 135 . 1 1 11 11 LYS N N 15 117.6370 0.4 . 1 . . . . 11 LYS N . 19419 1 136 . 1 1 12 12 ASN H H 1 7.4820 0.03 . 1 . . . . 12 ASN HN . 19419 1 137 . 1 1 12 12 ASN HA H 1 4.6450 0.03 . 1 . . . . 12 ASN HA . 19419 1 138 . 1 1 12 12 ASN HB2 H 1 2.9200 0.03 . 2 . . . . 12 ASN HB1 . 19419 1 139 . 1 1 12 12 ASN HB3 H 1 2.9190 0.03 . 2 . . . . 12 ASN HB2 . 19419 1 140 . 1 1 12 12 ASN HD21 H 1 7.7220 0.03 . 2 . . . . 12 ASN HD21 . 19419 1 141 . 1 1 12 12 ASN HD22 H 1 6.9900 0.03 . 2 . . . . 12 ASN HD22 . 19419 1 142 . 1 1 12 12 ASN C C 13 175.6960 0.4 . 1 . . . . 12 ASN C . 19419 1 143 . 1 1 12 12 ASN CA C 13 54.5900 0.4 . 1 . . . . 12 ASN CA . 19419 1 144 . 1 1 12 12 ASN CB C 13 38.5160 0.4 . 1 . . . . 12 ASN CB . 19419 1 145 . 1 1 12 12 ASN N N 15 114.3230 0.4 . 1 . . . . 12 ASN N . 19419 1 146 . 1 1 12 12 ASN ND2 N 15 112.6490 0.4 . 1 . . . . 12 ASN ND2 . 19419 1 147 . 1 1 13 13 GLU H H 1 7.8100 0.03 . 1 . . . . 13 GLU HN . 19419 1 148 . 1 1 13 13 GLU HA H 1 4.3200 0.03 . 1 . . . . 13 GLU HA . 19419 1 149 . 1 1 13 13 GLU HB2 H 1 2.2190 0.03 . 2 . . . . 13 GLU HB1 . 19419 1 150 . 1 1 13 13 GLU HB3 H 1 2.0270 0.03 . 2 . . . . 13 GLU HB2 . 19419 1 151 . 1 1 13 13 GLU HG2 H 1 2.4150 0.03 . 2 . . . . 13 GLU HG1 . 19419 1 152 . 1 1 13 13 GLU HG3 H 1 2.2100 0.03 . 2 . . . . 13 GLU HG2 . 19419 1 153 . 1 1 13 13 GLU C C 13 176.5430 0.4 . 1 . . . . 13 GLU C . 19419 1 154 . 1 1 13 13 GLU CA C 13 56.6440 0.4 . 1 . . . . 13 GLU CA . 19419 1 155 . 1 1 13 13 GLU CB C 13 31.2520 0.4 . 1 . . . . 13 GLU CB . 19419 1 156 . 1 1 13 13 GLU CG C 13 36.8890 0.4 . 1 . . . . 13 GLU CG . 19419 1 157 . 1 1 13 13 GLU N N 15 117.9310 0.4 . 1 . . . . 13 GLU N . 19419 1 158 . 1 1 14 14 ILE H H 1 7.1850 0.03 . 1 . . . . 14 ILE HN . 19419 1 159 . 1 1 14 14 ILE HA H 1 3.8390 0.03 . 1 . . . . 14 ILE HA . 19419 1 160 . 1 1 14 14 ILE HB H 1 1.7860 0.03 . 1 . . . . 14 ILE HB . 19419 1 161 . 1 1 14 14 ILE HG12 H 1 1.9300 0.03 . 2 . . . . 14 ILE HG11 . 19419 1 162 . 1 1 14 14 ILE HG13 H 1 1.9300 0.03 . 2 . . . . 14 ILE HG12 . 19419 1 163 . 1 1 14 14 ILE HG21 H 1 0.6520 0.03 . 1 . . . . 14 ILE HG21 . 19419 1 164 . 1 1 14 14 ILE HG22 H 1 0.6520 0.03 . 1 . . . . 14 ILE HG21 . 19419 1 165 . 1 1 14 14 ILE HG23 H 1 0.6520 0.03 . 1 . . . . 14 ILE HG21 . 19419 1 166 . 1 1 14 14 ILE HD11 H 1 0.6330 0.03 . 1 . . . . 14 ILE HD11 . 19419 1 167 . 1 1 14 14 ILE HD12 H 1 0.6330 0.03 . 1 . . . . 14 ILE HD11 . 19419 1 168 . 1 1 14 14 ILE HD13 H 1 0.6330 0.03 . 1 . . . . 14 ILE HD11 . 19419 1 169 . 1 1 14 14 ILE C C 13 175.8620 0.4 . 1 . . . . 14 ILE C . 19419 1 170 . 1 1 14 14 ILE CA C 13 63.6300 0.4 . 1 . . . . 14 ILE CA . 19419 1 171 . 1 1 14 14 ILE CB C 13 38.4180 0.4 . 1 . . . . 14 ILE CB . 19419 1 172 . 1 1 14 14 ILE CG1 C 13 29.7320 0.4 . 1 . . . . 14 ILE CG1 . 19419 1 173 . 1 1 14 14 ILE CG2 C 13 18.0690 0.4 . 1 . . . . 14 ILE CG2 . 19419 1 174 . 1 1 14 14 ILE CD1 C 13 13.6770 0.4 . 1 . . . . 14 ILE CD1 . 19419 1 175 . 1 1 14 14 ILE N N 15 122.0790 0.4 . 1 . . . . 14 ILE N . 19419 1 176 . 1 1 15 15 THR H H 1 8.3730 0.03 . 1 . . . . 15 THR HN . 19419 1 177 . 1 1 15 15 THR HA H 1 4.8620 0.03 . 1 . . . . 15 THR HA . 19419 1 178 . 1 1 15 15 THR HB H 1 4.1440 0.03 . 1 . . . . 15 THR HB . 19419 1 179 . 1 1 15 15 THR HG1 H 1 4.6430 0.03 . 1 . . . . 15 THR HG1 . 19419 1 180 . 1 1 15 15 THR HG21 H 1 1.3000 0.03 . 1 . . . . 15 THR HG21 . 19419 1 181 . 1 1 15 15 THR HG22 H 1 1.3000 0.03 . 1 . . . . 15 THR HG21 . 19419 1 182 . 1 1 15 15 THR HG23 H 1 1.3000 0.03 . 1 . . . . 15 THR HG21 . 19419 1 183 . 1 1 15 15 THR C C 13 172.2530 0.4 . 1 . . . . 15 THR C . 19419 1 184 . 1 1 15 15 THR CA C 13 60.3770 0.4 . 1 . . . . 15 THR CA . 19419 1 185 . 1 1 15 15 THR CB C 13 71.8950 0.4 . 1 . . . . 15 THR CB . 19419 1 186 . 1 1 15 15 THR CG2 C 13 20.9530 0.4 . 1 . . . . 15 THR CG2 . 19419 1 187 . 1 1 15 15 THR N N 15 122.4880 0.4 . 1 . . . . 15 THR N . 19419 1 188 . 1 1 16 16 GLU H H 1 8.6400 0.03 . 1 . . . . 16 GLU HN . 19419 1 189 . 1 1 16 16 GLU HA H 1 4.9390 0.03 . 1 . . . . 16 GLU HA . 19419 1 190 . 1 1 16 16 GLU HB2 H 1 1.9240 0.03 . 2 . . . . 16 GLU HB1 . 19419 1 191 . 1 1 16 16 GLU HB3 H 1 1.4540 0.03 . 2 . . . . 16 GLU HB2 . 19419 1 192 . 1 1 16 16 GLU HG2 H 1 1.5940 0.03 . 2 . . . . 16 GLU HG1 . 19419 1 193 . 1 1 16 16 GLU HG3 H 1 1.4400 0.03 . 2 . . . . 16 GLU HG2 . 19419 1 194 . 1 1 16 16 GLU C C 13 175.5300 0.4 . 1 . . . . 16 GLU C . 19419 1 195 . 1 1 16 16 GLU CA C 13 55.4720 0.4 . 1 . . . . 16 GLU CA . 19419 1 196 . 1 1 16 16 GLU CB C 13 31.1760 0.4 . 1 . . . . 16 GLU CB . 19419 1 197 . 1 1 16 16 GLU CG C 13 36.6760 0.4 . 1 . . . . 16 GLU CG . 19419 1 198 . 1 1 16 16 GLU N N 15 124.8240 0.4 . 1 . . . . 16 GLU N . 19419 1 199 . 1 1 17 17 ILE H H 1 9.2350 0.03 . 1 . . . . 17 ILE HN . 19419 1 200 . 1 1 17 17 ILE HA H 1 4.1690 0.03 . 1 . . . . 17 ILE HA . 19419 1 201 . 1 1 17 17 ILE HB H 1 1.6110 0.03 . 1 . . . . 17 ILE HB . 19419 1 202 . 1 1 17 17 ILE HG12 H 1 1.4310 0.03 . 2 . . . . 17 ILE HG11 . 19419 1 203 . 1 1 17 17 ILE HG13 H 1 1.0080 0.03 . 2 . . . . 17 ILE HG12 . 19419 1 204 . 1 1 17 17 ILE HG21 H 1 0.7420 0.03 . 1 . . . . 17 ILE HG21 . 19419 1 205 . 1 1 17 17 ILE HG22 H 1 0.7420 0.03 . 1 . . . . 17 ILE HG21 . 19419 1 206 . 1 1 17 17 ILE HG23 H 1 0.7420 0.03 . 1 . . . . 17 ILE HG21 . 19419 1 207 . 1 1 17 17 ILE HD11 H 1 0.7080 0.03 . 1 . . . . 17 ILE HD11 . 19419 1 208 . 1 1 17 17 ILE HD12 H 1 0.7080 0.03 . 1 . . . . 17 ILE HD11 . 19419 1 209 . 1 1 17 17 ILE HD13 H 1 0.7080 0.03 . 1 . . . . 17 ILE HD11 . 19419 1 210 . 1 1 17 17 ILE C C 13 175.0260 0.4 . 1 . . . . 17 ILE C . 19419 1 211 . 1 1 17 17 ILE CA C 13 60.4160 0.4 . 1 . . . . 17 ILE CA . 19419 1 212 . 1 1 17 17 ILE CB C 13 40.7950 0.4 . 1 . . . . 17 ILE CB . 19419 1 213 . 1 1 17 17 ILE CG1 C 13 27.3410 0.4 . 1 . . . . 17 ILE CG1 . 19419 1 214 . 1 1 17 17 ILE CG2 C 13 17.1770 0.4 . 1 . . . . 17 ILE CG2 . 19419 1 215 . 1 1 17 17 ILE CD1 C 13 13.7130 0.4 . 1 . . . . 17 ILE CD1 . 19419 1 216 . 1 1 17 17 ILE N N 15 128.9980 0.4 . 1 . . . . 17 ILE N . 19419 1 217 . 1 1 18 18 ASN H H 1 9.1580 0.03 . 1 . . . . 18 ASN HN . 19419 1 218 . 1 1 18 18 ASN HA H 1 4.2870 0.03 . 1 . . . . 18 ASN HA . 19419 1 219 . 1 1 18 18 ASN HB2 H 1 3.1250 0.03 . 2 . . . . 18 ASN HB1 . 19419 1 220 . 1 1 18 18 ASN HB3 H 1 2.6340 0.03 . 2 . . . . 18 ASN HB2 . 19419 1 221 . 1 1 18 18 ASN HD21 H 1 7.6660 0.03 . 2 . . . . 18 ASN HD21 . 19419 1 222 . 1 1 18 18 ASN HD22 H 1 6.7920 0.03 . 2 . . . . 18 ASN HD22 . 19419 1 223 . 1 1 18 18 ASN C C 13 175.2280 0.4 . 1 . . . . 18 ASN C . 19419 1 224 . 1 1 18 18 ASN CA C 13 53.7090 0.4 . 1 . . . . 18 ASN CA . 19419 1 225 . 1 1 18 18 ASN CB C 13 37.1210 0.4 . 1 . . . . 18 ASN CB . 19419 1 226 . 1 1 18 18 ASN N N 15 124.8750 0.4 . 1 . . . . 18 ASN N . 19419 1 227 . 1 1 18 18 ASN ND2 N 15 112.4940 0.4 . 1 . . . . 18 ASN ND2 . 19419 1 228 . 1 1 19 19 GLY H H 1 8.6130 0.03 . 1 . . . . 19 GLY HN . 19419 1 229 . 1 1 19 19 GLY HA2 H 1 4.0150 0.03 . 2 . . . . 19 GLY HA1 . 19419 1 230 . 1 1 19 19 GLY HA3 H 1 3.5660 0.03 . 2 . . . . 19 GLY HA2 . 19419 1 231 . 1 1 19 19 GLY C C 13 174.1190 0.4 . 1 . . . . 19 GLY C . 19419 1 232 . 1 1 19 19 GLY CA C 13 45.5250 0.4 . 1 . . . . 19 GLY CA . 19419 1 233 . 1 1 19 19 GLY N N 15 102.0130 0.4 . 1 . . . . 19 GLY N . 19419 1 234 . 1 1 20 20 ILE H H 1 7.9400 0.03 . 1 . . . . 20 ILE HN . 19419 1 235 . 1 1 20 20 ILE HA H 1 4.3510 0.03 . 1 . . . . 20 ILE HA . 19419 1 236 . 1 1 20 20 ILE HB H 1 2.0550 0.03 . 1 . . . . 20 ILE HB . 19419 1 237 . 1 1 20 20 ILE HG12 H 1 1.6220 0.03 . 2 . . . . 20 ILE HG11 . 19419 1 238 . 1 1 20 20 ILE HG13 H 1 0.9340 0.03 . 2 . . . . 20 ILE HG12 . 19419 1 239 . 1 1 20 20 ILE HG21 H 1 0.9770 0.03 . 1 . . . . 20 ILE HG21 . 19419 1 240 . 1 1 20 20 ILE HG22 H 1 0.9770 0.03 . 1 . . . . 20 ILE HG21 . 19419 1 241 . 1 1 20 20 ILE HG23 H 1 0.9770 0.03 . 1 . . . . 20 ILE HG21 . 19419 1 242 . 1 1 20 20 ILE HD11 H 1 0.9210 0.03 . 1 . . . . 20 ILE HD11 . 19419 1 243 . 1 1 20 20 ILE HD12 H 1 0.9210 0.03 . 1 . . . . 20 ILE HD11 . 19419 1 244 . 1 1 20 20 ILE HD13 H 1 0.9210 0.03 . 1 . . . . 20 ILE HD11 . 19419 1 245 . 1 1 20 20 ILE C C 13 175.9890 0.4 . 1 . . . . 20 ILE C . 19419 1 246 . 1 1 20 20 ILE CA C 13 60.7840 0.4 . 1 . . . . 20 ILE CA . 19419 1 247 . 1 1 20 20 ILE CB C 13 40.9330 0.4 . 1 . . . . 20 ILE CB . 19419 1 248 . 1 1 20 20 ILE CG1 C 13 27.6620 0.4 . 1 . . . . 20 ILE CG1 . 19419 1 249 . 1 1 20 20 ILE CG2 C 13 18.1970 0.4 . 1 . . . . 20 ILE CG2 . 19419 1 250 . 1 1 20 20 ILE CD1 C 13 14.2930 0.4 . 1 . . . . 20 ILE CD1 . 19419 1 251 . 1 1 20 20 ILE N N 15 122.9320 0.4 . 1 . . . . 20 ILE N . 19419 1 252 . 1 1 21 21 HIS H H 1 8.9510 0.03 . 1 . . . . 21 HIS HN . 19419 1 253 . 1 1 21 21 HIS HA H 1 4.9220 0.03 . 1 . . . . 21 HIS HA . 19419 1 254 . 1 1 21 21 HIS HB2 H 1 2.6980 0.03 . 2 . . . . 21 HIS HB1 . 19419 1 255 . 1 1 21 21 HIS HB3 H 1 2.4850 0.03 . 2 . . . . 21 HIS HB2 . 19419 1 256 . 1 1 21 21 HIS HD1 H 1 7.0400 0.03 . 1 . . . . 21 HIS HD1 . 19419 1 257 . 1 1 21 21 HIS HD2 H 1 7.0620 0.03 . 1 . . . . 21 HIS HD2 . 19419 1 258 . 1 1 21 21 HIS HE1 H 1 8.4350 0.03 . 1 . . . . 21 HIS HE1 . 19419 1 259 . 1 1 21 21 HIS C C 13 172.7810 0.4 . 1 . . . . 21 HIS C . 19419 1 260 . 1 1 21 21 HIS CA C 13 58.3870 0.4 . 1 . . . . 21 HIS CA . 19419 1 261 . 1 1 21 21 HIS CB C 13 29.1610 0.4 . 1 . . . . 21 HIS CB . 19419 1 262 . 1 1 21 21 HIS CD2 C 13 121.2300 0.4 . 1 . . . . 21 HIS CD2 . 19419 1 263 . 1 1 21 21 HIS CE1 C 13 137.7500 0.4 . 1 . . . . 21 HIS CE1 . 19419 1 264 . 1 1 21 21 HIS N N 15 126.0600 0.4 . 1 . . . . 21 HIS N . 19419 1 265 . 1 1 22 22 PHE H H 1 9.2080 0.03 . 1 . . . . 22 PHE HN . 19419 1 266 . 1 1 22 22 PHE HA H 1 5.9580 0.03 . 1 . . . . 22 PHE HA . 19419 1 267 . 1 1 22 22 PHE HB2 H 1 2.9200 0.03 . 2 . . . . 22 PHE HB1 . 19419 1 268 . 1 1 22 22 PHE HB3 H 1 2.7570 0.03 . 2 . . . . 22 PHE HB2 . 19419 1 269 . 1 1 22 22 PHE HD1 H 1 6.9280 0.03 . 3 . . . . 22 PHE HD1 . 19419 1 270 . 1 1 22 22 PHE HD2 H 1 6.9270 0.03 . 3 . . . . 22 PHE HD2 . 19419 1 271 . 1 1 22 22 PHE HE1 H 1 6.8240 0.03 . 3 . . . . 22 PHE HE1 . 19419 1 272 . 1 1 22 22 PHE HE2 H 1 6.8240 0.03 . 3 . . . . 22 PHE HE2 . 19419 1 273 . 1 1 22 22 PHE C C 13 174.3920 0.4 . 1 . . . . 22 PHE C . 19419 1 274 . 1 1 22 22 PHE CA C 13 56.3390 0.4 . 1 . . . . 22 PHE CA . 19419 1 275 . 1 1 22 22 PHE CB C 13 44.8670 0.4 . 1 . . . . 22 PHE CB . 19419 1 276 . 1 1 22 22 PHE CD1 C 13 132.2790 0.4 . 3 . . . . 22 PHE CD1 . 19419 1 277 . 1 1 22 22 PHE CD2 C 13 132.2790 0.4 . 3 . . . . 22 PHE CD2 . 19419 1 278 . 1 1 22 22 PHE CE1 C 13 130.7360 0.4 . 3 . . . . 22 PHE CE1 . 19419 1 279 . 1 1 22 22 PHE CE2 C 13 130.7360 0.4 . 3 . . . . 22 PHE CE2 . 19419 1 280 . 1 1 22 22 PHE N N 15 126.5700 0.4 . 1 . . . . 22 PHE N . 19419 1 281 . 1 1 23 23 LEU H H 1 7.3890 0.03 . 1 . . . . 23 LEU HN . 19419 1 282 . 1 1 23 23 LEU HA H 1 3.7510 0.03 . 1 . . . . 23 LEU HA . 19419 1 283 . 1 1 23 23 LEU HB2 H 1 1.3500 0.03 . 2 . . . . 23 LEU HB1 . 19419 1 284 . 1 1 23 23 LEU HB3 H 1 1.2860 0.03 . 2 . . . . 23 LEU HB2 . 19419 1 285 . 1 1 23 23 LEU HG H 1 0.7600 0.03 . 1 . . . . 23 LEU HG . 19419 1 286 . 1 1 23 23 LEU HD11 H 1 0.7740 0.03 . 2 . . . . 23 LEU HD11 . 19419 1 287 . 1 1 23 23 LEU HD12 H 1 0.7740 0.03 . 2 . . . . 23 LEU HD11 . 19419 1 288 . 1 1 23 23 LEU HD13 H 1 0.7740 0.03 . 2 . . . . 23 LEU HD11 . 19419 1 289 . 1 1 23 23 LEU HD21 H 1 0.7740 0.03 . 2 . . . . 23 LEU HD21 . 19419 1 290 . 1 1 23 23 LEU HD22 H 1 0.7740 0.03 . 2 . . . . 23 LEU HD21 . 19419 1 291 . 1 1 23 23 LEU HD23 H 1 0.7740 0.03 . 2 . . . . 23 LEU HD21 . 19419 1 292 . 1 1 23 23 LEU C C 13 171.2530 0.4 . 1 . . . . 23 LEU C . 19419 1 293 . 1 1 23 23 LEU CA C 13 55.2880 0.4 . 1 . . . . 23 LEU CA . 19419 1 294 . 1 1 23 23 LEU CB C 13 45.8230 0.4 . 1 . . . . 23 LEU CB . 19419 1 295 . 1 1 23 23 LEU CG C 13 27.1440 0.4 . 1 . . . . 23 LEU CG . 19419 1 296 . 1 1 23 23 LEU CD1 C 13 23.9360 0.4 . 2 . . . . 23 LEU CD1 . 19419 1 297 . 1 1 23 23 LEU CD2 C 13 23.9360 0.4 . 2 . . . . 23 LEU CD2 . 19419 1 298 . 1 1 23 23 LEU N N 15 128.2600 0.4 . 1 . . . . 23 LEU N . 19419 1 299 . 1 1 24 24 ALA H H 1 7.8610 0.03 . 1 . . . . 24 ALA HN . 19419 1 300 . 1 1 24 24 ALA HA H 1 5.5560 0.03 . 1 . . . . 24 ALA HA . 19419 1 301 . 1 1 24 24 ALA HB1 H 1 1.1030 0.03 . 1 . . . . 24 ALA HB1 . 19419 1 302 . 1 1 24 24 ALA HB2 H 1 1.1030 0.03 . 1 . . . . 24 ALA HB1 . 19419 1 303 . 1 1 24 24 ALA HB3 H 1 1.1030 0.03 . 1 . . . . 24 ALA HB1 . 19419 1 304 . 1 1 24 24 ALA C C 13 176.1270 0.4 . 1 . . . . 24 ALA C . 19419 1 305 . 1 1 24 24 ALA CA C 13 49.6330 0.4 . 1 . . . . 24 ALA CA . 19419 1 306 . 1 1 24 24 ALA CB C 13 21.6180 0.4 . 1 . . . . 24 ALA CB . 19419 1 307 . 1 1 24 24 ALA N N 15 127.8110 0.4 . 1 . . . . 24 ALA N . 19419 1 308 . 1 1 25 25 LYS H H 1 8.3650 0.03 . 1 . . . . 25 LYS HN . 19419 1 309 . 1 1 25 25 LYS HA H 1 4.4850 0.03 . 1 . . . . 25 LYS HA . 19419 1 310 . 1 1 25 25 LYS HB2 H 1 1.6840 0.03 . 2 . . . . 25 LYS HB1 . 19419 1 311 . 1 1 25 25 LYS HB3 H 1 1.4900 0.03 . 2 . . . . 25 LYS HB2 . 19419 1 312 . 1 1 25 25 LYS HG2 H 1 1.4830 0.03 . 2 . . . . 25 LYS HG1 . 19419 1 313 . 1 1 25 25 LYS HG3 H 1 1.4470 0.03 . 2 . . . . 25 LYS HG2 . 19419 1 314 . 1 1 25 25 LYS HD2 H 1 1.6730 0.03 . 2 . . . . 25 LYS HD1 . 19419 1 315 . 1 1 25 25 LYS HD3 H 1 1.4900 0.03 . 2 . . . . 25 LYS HD2 . 19419 1 316 . 1 1 25 25 LYS HE2 H 1 2.9670 0.03 . 2 . . . . 25 LYS HE1 . 19419 1 317 . 1 1 25 25 LYS HE3 H 1 2.9670 0.03 . 2 . . . . 25 LYS HE2 . 19419 1 318 . 1 1 25 25 LYS C C 13 173.8950 0.4 . 1 . . . . 25 LYS C . 19419 1 319 . 1 1 25 25 LYS CA C 13 55.1880 0.4 . 1 . . . . 25 LYS CA . 19419 1 320 . 1 1 25 25 LYS CB C 13 38.2770 0.4 . 1 . . . . 25 LYS CB . 19419 1 321 . 1 1 25 25 LYS CG C 13 24.9970 0.4 . 1 . . . . 25 LYS CG . 19419 1 322 . 1 1 25 25 LYS CD C 13 29.4140 0.4 . 1 . . . . 25 LYS CD . 19419 1 323 . 1 1 25 25 LYS CE C 13 41.9870 0.4 . 1 . . . . 25 LYS CE . 19419 1 324 . 1 1 25 25 LYS N N 15 122.8520 0.4 . 1 . . . . 25 LYS N . 19419 1 325 . 1 1 26 26 LYS H H 1 8.8360 0.03 . 1 . . . . 26 LYS HN . 19419 1 326 . 1 1 26 26 LYS HA H 1 5.1460 0.03 . 1 . . . . 26 LYS HA . 19419 1 327 . 1 1 26 26 LYS HB2 H 1 1.8820 0.03 . 2 . . . . 26 LYS HB1 . 19419 1 328 . 1 1 26 26 LYS HB3 H 1 1.4660 0.03 . 2 . . . . 26 LYS HB2 . 19419 1 329 . 1 1 26 26 LYS HG2 H 1 1.3920 0.03 . 2 . . . . 26 LYS HG1 . 19419 1 330 . 1 1 26 26 LYS HG3 H 1 1.2160 0.03 . 2 . . . . 26 LYS HG2 . 19419 1 331 . 1 1 26 26 LYS HD2 H 1 1.6500 0.03 . 2 . . . . 26 LYS HD1 . 19419 1 332 . 1 1 26 26 LYS HD3 H 1 1.6300 0.03 . 2 . . . . 26 LYS HD2 . 19419 1 333 . 1 1 26 26 LYS HE2 H 1 2.9700 0.03 . 2 . . . . 26 LYS HE1 . 19419 1 334 . 1 1 26 26 LYS HE3 H 1 2.9200 0.03 . 2 . . . . 26 LYS HE2 . 19419 1 335 . 1 1 26 26 LYS C C 13 175.9210 0.4 . 1 . . . . 26 LYS C . 19419 1 336 . 1 1 26 26 LYS CA C 13 55.2100 0.4 . 1 . . . . 26 LYS CA . 19419 1 337 . 1 1 26 26 LYS CB C 13 33.0380 0.4 . 1 . . . . 26 LYS CB . 19419 1 338 . 1 1 26 26 LYS CG C 13 26.1700 0.4 . 1 . . . . 26 LYS CG . 19419 1 339 . 1 1 26 26 LYS CD C 13 29.7500 0.4 . 1 . . . . 26 LYS CD . 19419 1 340 . 1 1 26 26 LYS CE C 13 42.0170 0.4 . 1 . . . . 26 LYS CE . 19419 1 341 . 1 1 26 26 LYS N N 15 127.9600 0.4 . 1 . . . . 26 LYS N . 19419 1 342 . 1 1 27 27 VAL H H 1 9.1120 0.03 . 1 . . . . 27 VAL HN . 19419 1 343 . 1 1 27 27 VAL HA H 1 4.7070 0.03 . 1 . . . . 27 VAL HA . 19419 1 344 . 1 1 27 27 VAL HB H 1 1.9010 0.03 . 1 . . . . 27 VAL HB . 19419 1 345 . 1 1 27 27 VAL HG11 H 1 0.6990 0.03 . 2 . . . . 27 VAL HG11 . 19419 1 346 . 1 1 27 27 VAL HG12 H 1 0.6990 0.03 . 2 . . . . 27 VAL HG11 . 19419 1 347 . 1 1 27 27 VAL HG13 H 1 0.6990 0.03 . 2 . . . . 27 VAL HG11 . 19419 1 348 . 1 1 27 27 VAL HG21 H 1 0.6460 0.03 . 2 . . . . 27 VAL HG21 . 19419 1 349 . 1 1 27 27 VAL HG22 H 1 0.6460 0.03 . 2 . . . . 27 VAL HG21 . 19419 1 350 . 1 1 27 27 VAL HG23 H 1 0.6460 0.03 . 2 . . . . 27 VAL HG21 . 19419 1 351 . 1 1 27 27 VAL C C 13 174.6340 0.4 . 1 . . . . 27 VAL C . 19419 1 352 . 1 1 27 27 VAL CA C 13 58.8360 0.4 . 1 . . . . 27 VAL CA . 19419 1 353 . 1 1 27 27 VAL CB C 13 35.8520 0.4 . 1 . . . . 27 VAL CB . 19419 1 354 . 1 1 27 27 VAL CG1 C 13 21.8080 0.4 . 2 . . . . 27 VAL CG1 . 19419 1 355 . 1 1 27 27 VAL CG2 C 13 19.0860 0.4 . 2 . . . . 27 VAL CG2 . 19419 1 356 . 1 1 27 27 VAL N N 15 120.1950 0.4 . 1 . . . . 27 VAL N . 19419 1 357 . 1 1 28 28 ASP H H 1 8.6750 0.03 . 1 . . . . 28 ASP HN . 19419 1 358 . 1 1 28 28 ASP HA H 1 4.9570 0.03 . 1 . . . . 28 ASP HA . 19419 1 359 . 1 1 28 28 ASP HB2 H 1 2.7460 0.03 . 2 . . . . 28 ASP HB1 . 19419 1 360 . 1 1 28 28 ASP HB3 H 1 2.5220 0.03 . 2 . . . . 28 ASP HB2 . 19419 1 361 . 1 1 28 28 ASP C C 13 174.4860 0.4 . 1 . . . . 28 ASP C . 19419 1 362 . 1 1 28 28 ASP CA C 13 52.5560 0.4 . 1 . . . . 28 ASP CA . 19419 1 363 . 1 1 28 28 ASP CB C 13 39.7660 0.4 . 1 . . . . 28 ASP CB . 19419 1 364 . 1 1 28 28 ASP N N 15 123.2720 0.4 . 1 . . . . 28 ASP N . 19419 1 365 . 1 1 29 29 LEU H H 1 6.9290 0.03 . 1 . . . . 29 LEU HN . 19419 1 366 . 1 1 29 29 LEU HA H 1 4.5050 0.03 . 1 . . . . 29 LEU HA . 19419 1 367 . 1 1 29 29 LEU HB2 H 1 1.3950 0.03 . 2 . . . . 29 LEU HB1 . 19419 1 368 . 1 1 29 29 LEU HB3 H 1 1.2180 0.03 . 2 . . . . 29 LEU HB2 . 19419 1 369 . 1 1 29 29 LEU HG H 1 1.5480 0.03 . 1 . . . . 29 LEU HG . 19419 1 370 . 1 1 29 29 LEU HD11 H 1 0.6750 0.03 . 2 . . . . 29 LEU HD11 . 19419 1 371 . 1 1 29 29 LEU HD12 H 1 0.6750 0.03 . 2 . . . . 29 LEU HD11 . 19419 1 372 . 1 1 29 29 LEU HD13 H 1 0.6750 0.03 . 2 . . . . 29 LEU HD11 . 19419 1 373 . 1 1 29 29 LEU HD21 H 1 0.7550 0.03 . 2 . . . . 29 LEU HD21 . 19419 1 374 . 1 1 29 29 LEU HD22 H 1 0.7550 0.03 . 2 . . . . 29 LEU HD21 . 19419 1 375 . 1 1 29 29 LEU HD23 H 1 0.7550 0.03 . 2 . . . . 29 LEU HD21 . 19419 1 376 . 1 1 29 29 LEU C C 13 174.3150 0.4 . 1 . . . . 29 LEU C . 19419 1 377 . 1 1 29 29 LEU CA C 13 53.3870 0.4 . 1 . . . . 29 LEU CA . 19419 1 378 . 1 1 29 29 LEU CB C 13 47.2660 0.4 . 1 . . . . 29 LEU CB . 19419 1 379 . 1 1 29 29 LEU CG C 13 27.0720 0.4 . 1 . . . . 29 LEU CG . 19419 1 380 . 1 1 29 29 LEU CD1 C 13 24.8410 0.4 . 2 . . . . 29 LEU CD1 . 19419 1 381 . 1 1 29 29 LEU CD2 C 13 24.4250 0.4 . 2 . . . . 29 LEU CD2 . 19419 1 382 . 1 1 29 29 LEU N N 15 120.7350 0.4 . 1 . . . . 29 LEU N . 19419 1 383 . 1 1 30 30 ASP H H 1 7.7220 0.03 . 1 . . . . 30 ASP HN . 19419 1 384 . 1 1 30 30 ASP HA H 1 4.5430 0.03 . 1 . . . . 30 ASP HA . 19419 1 385 . 1 1 30 30 ASP HB2 H 1 2.9570 0.03 . 2 . . . . 30 ASP HB1 . 19419 1 386 . 1 1 30 30 ASP HB3 H 1 2.6900 0.03 . 2 . . . . 30 ASP HB2 . 19419 1 387 . 1 1 30 30 ASP C C 13 175.5180 0.4 . 1 . . . . 30 ASP C . 19419 1 388 . 1 1 30 30 ASP CA C 13 51.9710 0.4 . 1 . . . . 30 ASP CA . 19419 1 389 . 1 1 30 30 ASP CB C 13 41.5930 0.4 . 1 . . . . 30 ASP CB . 19419 1 390 . 1 1 30 30 ASP N N 15 117.6490 0.4 . 1 . . . . 30 ASP N . 19419 1 391 . 1 1 31 31 ALA H H 1 8.5870 0.03 . 1 . . . . 31 ALA HN . 19419 1 392 . 1 1 31 31 ALA HA H 1 3.7740 0.03 . 1 . . . . 31 ALA HA . 19419 1 393 . 1 1 31 31 ALA HB1 H 1 1.4420 0.03 . 1 . . . . 31 ALA HB1 . 19419 1 394 . 1 1 31 31 ALA HB2 H 1 1.4420 0.03 . 1 . . . . 31 ALA HB1 . 19419 1 395 . 1 1 31 31 ALA HB3 H 1 1.4420 0.03 . 1 . . . . 31 ALA HB1 . 19419 1 396 . 1 1 31 31 ALA C C 13 180.8120 0.4 . 1 . . . . 31 ALA C . 19419 1 397 . 1 1 31 31 ALA CA C 13 56.1050 0.4 . 1 . . . . 31 ALA CA . 19419 1 398 . 1 1 31 31 ALA CB C 13 18.6520 0.4 . 1 . . . . 31 ALA CB . 19419 1 399 . 1 1 31 31 ALA N N 15 120.7750 0.4 . 1 . . . . 31 ALA N . 19419 1 400 . 1 1 32 32 GLY H H 1 8.6220 0.03 . 1 . . . . 32 GLY HN . 19419 1 401 . 1 1 32 32 GLY HA2 H 1 3.8050 0.03 . 2 . . . . 32 GLY HA1 . 19419 1 402 . 1 1 32 32 GLY HA3 H 1 3.8050 0.03 . 2 . . . . 32 GLY HA2 . 19419 1 403 . 1 1 32 32 GLY C C 13 175.9530 0.4 . 1 . . . . 32 GLY C . 19419 1 404 . 1 1 32 32 GLY CA C 13 47.0190 0.4 . 1 . . . . 32 GLY CA . 19419 1 405 . 1 1 32 32 GLY N N 15 106.9410 0.4 . 1 . . . . 32 GLY N . 19419 1 406 . 1 1 33 33 GLY H H 1 8.1800 0.03 . 1 . . . . 33 GLY HN . 19419 1 407 . 1 1 33 33 GLY HA2 H 1 3.8610 0.03 . 2 . . . . 33 GLY HA1 . 19419 1 408 . 1 1 33 33 GLY HA3 H 1 3.6370 0.03 . 2 . . . . 33 GLY HA2 . 19419 1 409 . 1 1 33 33 GLY C C 13 177.1430 0.4 . 1 . . . . 33 GLY C . 19419 1 410 . 1 1 33 33 GLY CA C 13 47.0170 0.4 . 1 . . . . 33 GLY CA . 19419 1 411 . 1 1 33 33 GLY N N 15 111.4450 0.4 . 1 . . . . 33 GLY N . 19419 1 412 . 1 1 34 34 ILE H H 1 8.4700 0.03 . 1 . . . . 34 ILE HN . 19419 1 413 . 1 1 34 34 ILE HA H 1 3.3180 0.03 . 1 . . . . 34 ILE HA . 19419 1 414 . 1 1 34 34 ILE HB H 1 1.7820 0.03 . 1 . . . . 34 ILE HB . 19419 1 415 . 1 1 34 34 ILE HG12 H 1 1.6920 0.03 . 2 . . . . 34 ILE HG11 . 19419 1 416 . 1 1 34 34 ILE HG13 H 1 0.3010 0.03 . 2 . . . . 34 ILE HG12 . 19419 1 417 . 1 1 34 34 ILE HG21 H 1 0.9220 0.03 . 1 . . . . 34 ILE HG21 . 19419 1 418 . 1 1 34 34 ILE HG22 H 1 0.9220 0.03 . 1 . . . . 34 ILE HG21 . 19419 1 419 . 1 1 34 34 ILE HG23 H 1 0.9220 0.03 . 1 . . . . 34 ILE HG21 . 19419 1 420 . 1 1 34 34 ILE HD11 H 1 0.5240 0.03 . 1 . . . . 34 ILE HD11 . 19419 1 421 . 1 1 34 34 ILE HD12 H 1 0.5240 0.03 . 1 . . . . 34 ILE HD11 . 19419 1 422 . 1 1 34 34 ILE HD13 H 1 0.5240 0.03 . 1 . . . . 34 ILE HD11 . 19419 1 423 . 1 1 34 34 ILE C C 13 177.2980 0.4 . 1 . . . . 34 ILE C . 19419 1 424 . 1 1 34 34 ILE CA C 13 65.7270 0.4 . 1 . . . . 34 ILE CA . 19419 1 425 . 1 1 34 34 ILE CB C 13 38.6660 0.4 . 1 . . . . 34 ILE CB . 19419 1 426 . 1 1 34 34 ILE CG1 C 13 30.8200 0.4 . 1 . . . . 34 ILE CG1 . 19419 1 427 . 1 1 34 34 ILE CG2 C 13 18.9520 0.4 . 1 . . . . 34 ILE CG2 . 19419 1 428 . 1 1 34 34 ILE CD1 C 13 13.6640 0.4 . 1 . . . . 34 ILE CD1 . 19419 1 429 . 1 1 34 34 ILE N N 15 123.1040 0.4 . 1 . . . . 34 ILE N . 19419 1 430 . 1 1 35 35 LYS H H 1 8.0600 0.03 . 1 . . . . 35 LYS HN . 19419 1 431 . 1 1 35 35 LYS HA H 1 3.7660 0.03 . 1 . . . . 35 LYS HA . 19419 1 432 . 1 1 35 35 LYS HB2 H 1 1.9720 0.03 . 2 . . . . 35 LYS HB1 . 19419 1 433 . 1 1 35 35 LYS HB3 H 1 1.9610 0.03 . 2 . . . . 35 LYS HB2 . 19419 1 434 . 1 1 35 35 LYS HG2 H 1 1.0290 0.03 . 2 . . . . 35 LYS HG1 . 19419 1 435 . 1 1 35 35 LYS HG3 H 1 1.0100 0.03 . 2 . . . . 35 LYS HG2 . 19419 1 436 . 1 1 35 35 LYS HD2 H 1 1.5320 0.03 . 2 . . . . 35 LYS HD1 . 19419 1 437 . 1 1 35 35 LYS HD3 H 1 1.5330 0.03 . 2 . . . . 35 LYS HD2 . 19419 1 438 . 1 1 35 35 LYS HE2 H 1 2.6520 0.03 . 2 . . . . 35 LYS HE1 . 19419 1 439 . 1 1 35 35 LYS HE3 H 1 2.5100 0.03 . 2 . . . . 35 LYS HE2 . 19419 1 440 . 1 1 35 35 LYS C C 13 177.9550 0.4 . 1 . . . . 35 LYS C . 19419 1 441 . 1 1 35 35 LYS CA C 13 61.0860 0.4 . 1 . . . . 35 LYS CA . 19419 1 442 . 1 1 35 35 LYS CB C 13 31.5880 0.4 . 1 . . . . 35 LYS CB . 19419 1 443 . 1 1 35 35 LYS CG C 13 24.4800 0.4 . 1 . . . . 35 LYS CG . 19419 1 444 . 1 1 35 35 LYS CD C 13 29.6280 0.4 . 1 . . . . 35 LYS CD . 19419 1 445 . 1 1 35 35 LYS CE C 13 41.9300 0.4 . 1 . . . . 35 LYS CE . 19419 1 446 . 1 1 35 35 LYS N N 15 123.0930 0.4 . 1 . . . . 35 LYS N . 19419 1 447 . 1 1 36 36 ASP H H 1 8.0840 0.03 . 1 . . . . 36 ASP HN . 19419 1 448 . 1 1 36 36 ASP HA H 1 4.2920 0.03 . 1 . . . . 36 ASP HA . 19419 1 449 . 1 1 36 36 ASP HB2 H 1 2.6500 0.03 . 2 . . . . 36 ASP HB1 . 19419 1 450 . 1 1 36 36 ASP HB3 H 1 2.6480 0.03 . 2 . . . . 36 ASP HB2 . 19419 1 451 . 1 1 36 36 ASP C C 13 178.9080 0.4 . 1 . . . . 36 ASP C . 19419 1 452 . 1 1 36 36 ASP CA C 13 57.4360 0.4 . 1 . . . . 36 ASP CA . 19419 1 453 . 1 1 36 36 ASP CB C 13 40.0430 0.4 . 1 . . . . 36 ASP CB . 19419 1 454 . 1 1 36 36 ASP N N 15 117.6940 0.4 . 1 . . . . 36 ASP N . 19419 1 455 . 1 1 37 37 LEU H H 1 7.8830 0.03 . 1 . . . . 37 LEU HN . 19419 1 456 . 1 1 37 37 LEU HA H 1 4.0540 0.03 . 1 . . . . 37 LEU HA . 19419 1 457 . 1 1 37 37 LEU HB2 H 1 1.7820 0.03 . 2 . . . . 37 LEU HB1 . 19419 1 458 . 1 1 37 37 LEU HB3 H 1 1.4550 0.03 . 2 . . . . 37 LEU HB2 . 19419 1 459 . 1 1 37 37 LEU HG H 1 1.4310 0.03 . 1 . . . . 37 LEU HG . 19419 1 460 . 1 1 37 37 LEU HD11 H 1 0.3390 0.03 . 2 . . . . 37 LEU HD11 . 19419 1 461 . 1 1 37 37 LEU HD12 H 1 0.3390 0.03 . 2 . . . . 37 LEU HD11 . 19419 1 462 . 1 1 37 37 LEU HD13 H 1 0.3390 0.03 . 2 . . . . 37 LEU HD11 . 19419 1 463 . 1 1 37 37 LEU HD21 H 1 0.7270 0.03 . 2 . . . . 37 LEU HD21 . 19419 1 464 . 1 1 37 37 LEU HD22 H 1 0.7270 0.03 . 2 . . . . 37 LEU HD21 . 19419 1 465 . 1 1 37 37 LEU HD23 H 1 0.7270 0.03 . 2 . . . . 37 LEU HD21 . 19419 1 466 . 1 1 37 37 LEU C C 13 178.5400 0.4 . 1 . . . . 37 LEU C . 19419 1 467 . 1 1 37 37 LEU CA C 13 58.0110 0.4 . 1 . . . . 37 LEU CA . 19419 1 468 . 1 1 37 37 LEU CB C 13 39.8920 0.4 . 1 . . . . 37 LEU CB . 19419 1 469 . 1 1 37 37 LEU CG C 13 26.7120 0.4 . 1 . . . . 37 LEU CG . 19419 1 470 . 1 1 37 37 LEU CD1 C 13 25.8650 0.4 . 2 . . . . 37 LEU CD1 . 19419 1 471 . 1 1 37 37 LEU CD2 C 13 23.2870 0.4 . 2 . . . . 37 LEU CD2 . 19419 1 472 . 1 1 37 37 LEU N N 15 121.4460 0.4 . 1 . . . . 37 LEU N . 19419 1 473 . 1 1 38 38 CYS H H 1 8.4060 0.03 . 1 . . . . 38 CYS HN . 19419 1 474 . 1 1 38 38 CYS HA H 1 3.7540 0.03 . 1 . . . . 38 CYS HA . 19419 1 475 . 1 1 38 38 CYS HB2 H 1 3.3150 0.03 . 2 . . . . 38 CYS HB1 . 19419 1 476 . 1 1 38 38 CYS HB3 H 1 2.2750 0.03 . 2 . . . . 38 CYS HB2 . 19419 1 477 . 1 1 38 38 CYS HG H 1 1.8340 0.03 . 1 . . . . 38 CYS HG . 19419 1 478 . 1 1 38 38 CYS C C 13 176.0520 0.4 . 1 . . . . 38 CYS C . 19419 1 479 . 1 1 38 38 CYS CA C 13 64.1750 0.4 . 1 . . . . 38 CYS CA . 19419 1 480 . 1 1 38 38 CYS CB C 13 26.6420 0.4 . 1 . . . . 38 CYS CB . 19419 1 481 . 1 1 38 38 CYS N N 15 116.3640 0.4 . 1 . . . . 38 CYS N . 19419 1 482 . 1 1 39 39 PHE H H 1 7.8700 0.03 . 1 . . . . 39 PHE HN . 19419 1 483 . 1 1 39 39 PHE HA H 1 3.7570 0.03 . 1 . . . . 39 PHE HA . 19419 1 484 . 1 1 39 39 PHE HB2 H 1 3.0430 0.03 . 2 . . . . 39 PHE HB1 . 19419 1 485 . 1 1 39 39 PHE HB3 H 1 2.9490 0.03 . 2 . . . . 39 PHE HB2 . 19419 1 486 . 1 1 39 39 PHE HD1 H 1 7.4730 0.03 . 3 . . . . 39 PHE HD1 . 19419 1 487 . 1 1 39 39 PHE HD2 H 1 7.4740 0.03 . 3 . . . . 39 PHE HD2 . 19419 1 488 . 1 1 39 39 PHE HE1 H 1 6.9680 0.03 . 3 . . . . 39 PHE HE1 . 19419 1 489 . 1 1 39 39 PHE HE2 H 1 6.9680 0.03 . 3 . . . . 39 PHE HE2 . 19419 1 490 . 1 1 39 39 PHE C C 13 178.9800 0.4 . 1 . . . . 39 PHE C . 19419 1 491 . 1 1 39 39 PHE CA C 13 61.4370 0.4 . 1 . . . . 39 PHE CA . 19419 1 492 . 1 1 39 39 PHE CB C 13 38.1260 0.4 . 1 . . . . 39 PHE CB . 19419 1 493 . 1 1 39 39 PHE CD1 C 13 131.8190 0.4 . 3 . . . . 39 PHE CD1 . 19419 1 494 . 1 1 39 39 PHE CD2 C 13 131.8190 0.4 . 3 . . . . 39 PHE CD2 . 19419 1 495 . 1 1 39 39 PHE CE1 C 13 130.9470 0.4 . 3 . . . . 39 PHE CE1 . 19419 1 496 . 1 1 39 39 PHE CE2 C 13 130.9470 0.4 . 3 . . . . 39 PHE CE2 . 19419 1 497 . 1 1 39 39 PHE N N 15 115.7200 0.4 . 1 . . . . 39 PHE N . 19419 1 498 . 1 1 40 40 GLU H H 1 8.3780 0.03 . 1 . . . . 40 GLU HN . 19419 1 499 . 1 1 40 40 GLU HA H 1 4.1280 0.03 . 1 . . . . 40 GLU HA . 19419 1 500 . 1 1 40 40 GLU HB2 H 1 2.1520 0.03 . 2 . . . . 40 GLU HB1 . 19419 1 501 . 1 1 40 40 GLU HB3 H 1 1.9720 0.03 . 2 . . . . 40 GLU HB2 . 19419 1 502 . 1 1 40 40 GLU HG2 H 1 2.3040 0.03 . 2 . . . . 40 GLU HG1 . 19419 1 503 . 1 1 40 40 GLU HG3 H 1 2.0940 0.03 . 2 . . . . 40 GLU HG2 . 19419 1 504 . 1 1 40 40 GLU C C 13 180.6980 0.4 . 1 . . . . 40 GLU C . 19419 1 505 . 1 1 40 40 GLU CA C 13 59.7940 0.4 . 1 . . . . 40 GLU CA . 19419 1 506 . 1 1 40 40 GLU CB C 13 29.6120 0.4 . 1 . . . . 40 GLU CB . 19419 1 507 . 1 1 40 40 GLU CG C 13 36.1970 0.4 . 1 . . . . 40 GLU CG . 19419 1 508 . 1 1 40 40 GLU N N 15 122.3670 0.4 . 1 . . . . 40 GLU N . 19419 1 509 . 1 1 41 41 LEU H H 1 8.5600 0.03 . 1 . . . . 41 LEU HN . 19419 1 510 . 1 1 41 41 LEU HA H 1 4.0950 0.03 . 1 . . . . 41 LEU HA . 19419 1 511 . 1 1 41 41 LEU HB2 H 1 1.8410 0.03 . 2 . . . . 41 LEU HB1 . 19419 1 512 . 1 1 41 41 LEU HB3 H 1 1.1830 0.03 . 2 . . . . 41 LEU HB2 . 19419 1 513 . 1 1 41 41 LEU HG H 1 0.8690 0.03 . 1 . . . . 41 LEU HG . 19419 1 514 . 1 1 41 41 LEU HD11 H 1 0.8840 0.03 . 2 . . . . 41 LEU HD11 . 19419 1 515 . 1 1 41 41 LEU HD12 H 1 0.8840 0.03 . 2 . . . . 41 LEU HD11 . 19419 1 516 . 1 1 41 41 LEU HD13 H 1 0.8840 0.03 . 2 . . . . 41 LEU HD11 . 19419 1 517 . 1 1 41 41 LEU HD21 H 1 0.8830 0.03 . 2 . . . . 41 LEU HD21 . 19419 1 518 . 1 1 41 41 LEU HD22 H 1 0.8830 0.03 . 2 . . . . 41 LEU HD21 . 19419 1 519 . 1 1 41 41 LEU HD23 H 1 0.8830 0.03 . 2 . . . . 41 LEU HD21 . 19419 1 520 . 1 1 41 41 LEU C C 13 179.6200 0.4 . 1 . . . . 41 LEU C . 19419 1 521 . 1 1 41 41 LEU CA C 13 58.1790 0.4 . 1 . . . . 41 LEU CA . 19419 1 522 . 1 1 41 41 LEU CB C 13 41.7780 0.4 . 1 . . . . 41 LEU CB . 19419 1 523 . 1 1 41 41 LEU CG C 13 26.1730 0.4 . 1 . . . . 41 LEU CG . 19419 1 524 . 1 1 41 41 LEU CD1 C 13 22.9040 0.4 . 2 . . . . 41 LEU CD1 . 19419 1 525 . 1 1 41 41 LEU CD2 C 13 22.9190 0.4 . 2 . . . . 41 LEU CD2 . 19419 1 526 . 1 1 41 41 LEU N N 15 121.4860 0.4 . 1 . . . . 41 LEU N . 19419 1 527 . 1 1 42 42 GLY H H 1 8.3930 0.03 . 1 . . . . 42 GLY HN . 19419 1 528 . 1 1 42 42 GLY HA2 H 1 3.8400 0.03 . 2 . . . . 42 GLY HA1 . 19419 1 529 . 1 1 42 42 GLY HA3 H 1 3.5690 0.03 . 2 . . . . 42 GLY HA2 . 19419 1 530 . 1 1 42 42 GLY C C 13 174.9020 0.4 . 1 . . . . 42 GLY C . 19419 1 531 . 1 1 42 42 GLY CA C 13 47.0280 0.4 . 1 . . . . 42 GLY CA . 19419 1 532 . 1 1 42 42 GLY N N 15 105.8840 0.4 . 1 . . . . 42 GLY N . 19419 1 533 . 1 1 43 43 SER H H 1 7.4350 0.03 . 1 . . . . 43 SER HN . 19419 1 534 . 1 1 43 43 SER HA H 1 4.4820 0.03 . 1 . . . . 43 SER HA . 19419 1 535 . 1 1 43 43 SER HB2 H 1 4.0710 0.03 . 2 . . . . 43 SER HB1 . 19419 1 536 . 1 1 43 43 SER HB3 H 1 4.0700 0.03 . 2 . . . . 43 SER HB2 . 19419 1 537 . 1 1 43 43 SER C C 13 174.7050 0.4 . 1 . . . . 43 SER C . 19419 1 538 . 1 1 43 43 SER CA C 13 60.2530 0.4 . 1 . . . . 43 SER CA . 19419 1 539 . 1 1 43 43 SER CB C 13 63.7660 0.4 . 1 . . . . 43 SER CB . 19419 1 540 . 1 1 43 43 SER N N 15 114.0200 0.4 . 1 . . . . 43 SER N . 19419 1 541 . 1 1 44 44 GLN H H 1 7.6800 0.03 . 1 . . . . 44 GLN HN . 19419 1 542 . 1 1 44 44 GLN HA H 1 4.2970 0.03 . 1 . . . . 44 GLN HA . 19419 1 543 . 1 1 44 44 GLN HB2 H 1 1.9500 0.03 . 2 . . . . 44 GLN HB1 . 19419 1 544 . 1 1 44 44 GLN HB3 H 1 1.8380 0.03 . 2 . . . . 44 GLN HB2 . 19419 1 545 . 1 1 44 44 GLN HG2 H 1 2.2560 0.03 . 2 . . . . 44 GLN HG1 . 19419 1 546 . 1 1 44 44 GLN HG3 H 1 2.1370 0.03 . 2 . . . . 44 GLN HG2 . 19419 1 547 . 1 1 44 44 GLN HE21 H 1 7.1790 0.03 . 2 . . . . 44 GLN HE21 . 19419 1 548 . 1 1 44 44 GLN HE22 H 1 6.8250 0.03 . 2 . . . . 44 GLN HE22 . 19419 1 549 . 1 1 44 44 GLN C C 13 174.5280 0.4 . 1 . . . . 44 GLN C . 19419 1 550 . 1 1 44 44 GLN CA C 13 55.7050 0.4 . 1 . . . . 44 GLN CA . 19419 1 551 . 1 1 44 44 GLN CB C 13 30.4110 0.4 . 1 . . . . 44 GLN CB . 19419 1 552 . 1 1 44 44 GLN CG C 13 34.1000 0.4 . 1 . . . . 44 GLN CG . 19419 1 553 . 1 1 44 44 GLN N N 15 118.7100 0.4 . 1 . . . . 44 GLN N . 19419 1 554 . 1 1 44 44 GLN NE2 N 15 110.7000 0.4 . 1 . . . . 44 GLN NE2 . 19419 1 555 . 1 1 45 45 TYR H H 1 7.4680 0.03 . 1 . . . . 45 TYR HN . 19419 1 556 . 1 1 45 45 TYR HA H 1 4.7870 0.03 . 1 . . . . 45 TYR HA . 19419 1 557 . 1 1 45 45 TYR HB2 H 1 2.9800 0.03 . 2 . . . . 45 TYR HB1 . 19419 1 558 . 1 1 45 45 TYR HB3 H 1 2.6150 0.03 . 2 . . . . 45 TYR HB2 . 19419 1 559 . 1 1 45 45 TYR HD1 H 1 6.9590 0.03 . 3 . . . . 45 TYR HD1 . 19419 1 560 . 1 1 45 45 TYR HD2 H 1 6.9590 0.03 . 3 . . . . 45 TYR HD2 . 19419 1 561 . 1 1 45 45 TYR HE1 H 1 6.3370 0.03 . 3 . . . . 45 TYR HE1 . 19419 1 562 . 1 1 45 45 TYR HE2 H 1 6.3380 0.03 . 3 . . . . 45 TYR HE2 . 19419 1 563 . 1 1 45 45 TYR C C 13 174.5430 0.4 . 1 . . . . 45 TYR C . 19419 1 564 . 1 1 45 45 TYR CA C 13 57.13 0.4 . 1 . . . . 45 TYR CA . 19419 1 565 . 1 1 45 45 TYR CB C 13 44.7400 0.4 . 1 . . . . 45 TYR CB . 19419 1 566 . 1 1 45 45 TYR CD1 C 13 133.5790 0.4 . 3 . . . . 45 TYR CD1 . 19419 1 567 . 1 1 45 45 TYR CD2 C 13 133.5790 0.4 . 3 . . . . 45 TYR CD2 . 19419 1 568 . 1 1 45 45 TYR CE1 C 13 117.3950 0.4 . 3 . . . . 45 TYR CE1 . 19419 1 569 . 1 1 45 45 TYR CE2 C 13 117.3950 0.4 . 3 . . . . 45 TYR CE2 . 19419 1 570 . 1 1 45 45 TYR N N 15 116.3310 0.4 . 1 . . . . 45 TYR N . 19419 1 571 . 1 1 46 46 ASP H H 1 8.5330 0.03 . 1 . . . . 46 ASP HN . 19419 1 572 . 1 1 46 46 ASP HA H 1 4.9200 0.03 . 1 . . . . 46 ASP HA . 19419 1 573 . 1 1 46 46 ASP HB2 H 1 2.8120 0.03 . 2 . . . . 46 ASP HB1 . 19419 1 574 . 1 1 46 46 ASP HB3 H 1 2.6820 0.03 . 2 . . . . 46 ASP HB2 . 19419 1 575 . 1 1 46 46 ASP C C 13 176.4900 0.4 . 1 . . . . 46 ASP C . 19419 1 576 . 1 1 46 46 ASP CA C 13 53.1850 0.4 . 1 . . . . 46 ASP CA . 19419 1 577 . 1 1 46 46 ASP CB C 13 42.0850 0.4 . 1 . . . . 46 ASP CB . 19419 1 578 . 1 1 46 46 ASP N N 15 117.5630 0.4 . 1 . . . . 46 ASP N . 19419 1 579 . 1 1 47 47 ASN H H 1 8.5770 0.03 . 1 . . . . 47 ASN HN . 19419 1 580 . 1 1 47 47 ASN HA H 1 4.6510 0.03 . 1 . . . . 47 ASN HA . 19419 1 581 . 1 1 47 47 ASN HB2 H 1 3.0870 0.03 . 2 . . . . 47 ASN HB1 . 19419 1 582 . 1 1 47 47 ASN HB3 H 1 2.9140 0.03 . 2 . . . . 47 ASN HB2 . 19419 1 583 . 1 1 47 47 ASN HD21 H 1 7.7240 0.03 . 2 . . . . 47 ASN HD21 . 19419 1 584 . 1 1 47 47 ASN HD22 H 1 6.9900 0.03 . 2 . . . . 47 ASN HD22 . 19419 1 585 . 1 1 47 47 ASN C C 13 173.1420 0.4 . 1 . . . . 47 ASN C . 19419 1 586 . 1 1 47 47 ASN CA C 13 52.9610 0.4 . 1 . . . . 47 ASN CA . 19419 1 587 . 1 1 47 47 ASN CB C 13 38.2590 0.4 . 1 . . . . 47 ASN CB . 19419 1 588 . 1 1 47 47 ASN N N 15 118.7370 0.4 . 1 . . . . 47 ASN N . 19419 1 589 . 1 1 47 47 ASN ND2 N 15 112.5350 0.4 . 1 . . . . 47 ASN ND2 . 19419 1 590 . 1 1 48 48 LEU H H 1 9.0130 0.03 . 1 . . . . 48 LEU HN . 19419 1 591 . 1 1 48 48 LEU HA H 1 5.0210 0.03 . 1 . . . . 48 LEU HA . 19419 1 592 . 1 1 48 48 LEU HB2 H 1 2.0610 0.03 . 2 . . . . 48 LEU HB1 . 19419 1 593 . 1 1 48 48 LEU HB3 H 1 1.2380 0.03 . 2 . . . . 48 LEU HB2 . 19419 1 594 . 1 1 48 48 LEU HG H 1 0.6940 0.03 . 1 . . . . 48 LEU HG . 19419 1 595 . 1 1 48 48 LEU HD11 H 1 0.4630 0.03 . 2 . . . . 48 LEU HD11 . 19419 1 596 . 1 1 48 48 LEU HD12 H 1 0.4630 0.03 . 2 . . . . 48 LEU HD11 . 19419 1 597 . 1 1 48 48 LEU HD13 H 1 0.4630 0.03 . 2 . . . . 48 LEU HD11 . 19419 1 598 . 1 1 48 48 LEU HD21 H 1 0.4650 0.03 . 2 . . . . 48 LEU HD21 . 19419 1 599 . 1 1 48 48 LEU HD22 H 1 0.4650 0.03 . 2 . . . . 48 LEU HD21 . 19419 1 600 . 1 1 48 48 LEU HD23 H 1 0.4650 0.03 . 2 . . . . 48 LEU HD21 . 19419 1 601 . 1 1 48 48 LEU C C 13 173.2940 0.4 . 1 . . . . 48 LEU C . 19419 1 602 . 1 1 48 48 LEU CA C 13 54.6560 0.4 . 1 . . . . 48 LEU CA . 19419 1 603 . 1 1 48 48 LEU CB C 13 46.0250 0.4 . 1 . . . . 48 LEU CB . 19419 1 604 . 1 1 48 48 LEU CG C 13 26.8900 0.4 . 1 . . . . 48 LEU CG . 19419 1 605 . 1 1 48 48 LEU CD1 C 13 23.2320 0.4 . 2 . . . . 48 LEU CD1 . 19419 1 606 . 1 1 48 48 LEU CD2 C 13 23.2520 0.4 . 2 . . . . 48 LEU CD2 . 19419 1 607 . 1 1 48 48 LEU N N 15 123.2620 0.4 . 1 . . . . 48 LEU N . 19419 1 608 . 1 1 49 49 PHE H H 1 9.0680 0.03 . 1 . . . . 49 PHE HN . 19419 1 609 . 1 1 49 49 PHE HA H 1 5.5390 0.03 . 1 . . . . 49 PHE HA . 19419 1 610 . 1 1 49 49 PHE HB2 H 1 3.2920 0.03 . 2 . . . . 49 PHE HB1 . 19419 1 611 . 1 1 49 49 PHE HB3 H 1 2.7430 0.03 . 2 . . . . 49 PHE HB2 . 19419 1 612 . 1 1 49 49 PHE HD1 H 1 7.0840 0.03 . 3 . . . . 49 PHE HD1 . 19419 1 613 . 1 1 49 49 PHE HD2 H 1 7.0840 0.03 . 3 . . . . 49 PHE HD2 . 19419 1 614 . 1 1 49 49 PHE HE1 H 1 6.8230 0.03 . 3 . . . . 49 PHE HE1 . 19419 1 615 . 1 1 49 49 PHE HE2 H 1 6.8230 0.03 . 3 . . . . 49 PHE HE2 . 19419 1 616 . 1 1 49 49 PHE C C 13 173.3660 0.4 . 1 . . . . 49 PHE C . 19419 1 617 . 1 1 49 49 PHE CA C 13 54.7100 0.4 . 1 . . . . 49 PHE CA . 19419 1 618 . 1 1 49 49 PHE CB C 13 42.0110 0.4 . 1 . . . . 49 PHE CB . 19419 1 619 . 1 1 49 49 PHE CD1 C 13 130.6150 0.4 . 3 . . . . 49 PHE CD1 . 19419 1 620 . 1 1 49 49 PHE CD2 C 13 130.6150 0.4 . 3 . . . . 49 PHE CD2 . 19419 1 621 . 1 1 49 49 PHE CE1 C 13 128.3560 0.4 . 3 . . . . 49 PHE CE1 . 19419 1 622 . 1 1 49 49 PHE CE2 C 13 128.3560 0.4 . 3 . . . . 49 PHE CE2 . 19419 1 623 . 1 1 49 49 PHE N N 15 127.4570 0.4 . 1 . . . . 49 PHE N . 19419 1 624 . 1 1 50 50 LEU H H 1 9.3120 0.03 . 1 . . . . 50 LEU HN . 19419 1 625 . 1 1 50 50 LEU HA H 1 5.0050 0.03 . 1 . . . . 50 LEU HA . 19419 1 626 . 1 1 50 50 LEU HB2 H 1 1.7440 0.03 . 2 . . . . 50 LEU HB1 . 19419 1 627 . 1 1 50 50 LEU HB3 H 1 0.9720 0.03 . 2 . . . . 50 LEU HB2 . 19419 1 628 . 1 1 50 50 LEU HG H 1 0.8580 0.03 . 1 . . . . 50 LEU HG . 19419 1 629 . 1 1 50 50 LEU HD11 H 1 0.7300 0.03 . 2 . . . . 50 LEU HD11 . 19419 1 630 . 1 1 50 50 LEU HD12 H 1 0.7300 0.03 . 2 . . . . 50 LEU HD11 . 19419 1 631 . 1 1 50 50 LEU HD13 H 1 0.7300 0.03 . 2 . . . . 50 LEU HD11 . 19419 1 632 . 1 1 50 50 LEU HD21 H 1 0.7370 0.03 . 2 . . . . 50 LEU HD21 . 19419 1 633 . 1 1 50 50 LEU HD22 H 1 0.7370 0.03 . 2 . . . . 50 LEU HD21 . 19419 1 634 . 1 1 50 50 LEU HD23 H 1 0.7370 0.03 . 2 . . . . 50 LEU HD21 . 19419 1 635 . 1 1 50 50 LEU C C 13 175.3740 0.4 . 1 . . . . 50 LEU C . 19419 1 636 . 1 1 50 50 LEU CA C 13 51.8230 0.4 . 1 . . . . 50 LEU CA . 19419 1 637 . 1 1 50 50 LEU CB C 13 46.5020 0.4 . 1 . . . . 50 LEU CB . 19419 1 638 . 1 1 50 50 LEU CG C 13 27.6810 0.4 . 1 . . . . 50 LEU CG . 19419 1 639 . 1 1 50 50 LEU CD1 C 13 25.5760 0.4 . 2 . . . . 50 LEU CD1 . 19419 1 640 . 1 1 50 50 LEU CD2 C 13 25.5550 0.4 . 2 . . . . 50 LEU CD2 . 19419 1 641 . 1 1 50 50 LEU N N 15 124.3480 0.4 . 1 . . . . 50 LEU N . 19419 1 642 . 1 1 51 51 LEU H H 1 8.1410 0.03 . 1 . . . . 51 LEU HN . 19419 1 643 . 1 1 51 51 LEU HA H 1 4.9800 0.03 . 1 . . . . 51 LEU HA . 19419 1 644 . 1 1 51 51 LEU HB2 H 1 1.6100 0.03 . 2 . . . . 51 LEU HB1 . 19419 1 645 . 1 1 51 51 LEU HB3 H 1 1.0670 0.03 . 2 . . . . 51 LEU HB2 . 19419 1 646 . 1 1 51 51 LEU HG H 1 1.2330 0.03 . 1 . . . . 51 LEU HG . 19419 1 647 . 1 1 51 51 LEU HD11 H 1 0.8120 0.03 . 2 . . . . 51 LEU HD11 . 19419 1 648 . 1 1 51 51 LEU HD12 H 1 0.8120 0.03 . 2 . . . . 51 LEU HD11 . 19419 1 649 . 1 1 51 51 LEU HD13 H 1 0.8120 0.03 . 2 . . . . 51 LEU HD11 . 19419 1 650 . 1 1 51 51 LEU HD21 H 1 0.7500 0.03 . 2 . . . . 51 LEU HD21 . 19419 1 651 . 1 1 51 51 LEU HD22 H 1 0.7500 0.03 . 2 . . . . 51 LEU HD21 . 19419 1 652 . 1 1 51 51 LEU HD23 H 1 0.7500 0.03 . 2 . . . . 51 LEU HD21 . 19419 1 653 . 1 1 51 51 LEU C C 13 173.7280 0.4 . 1 . . . . 51 LEU C . 19419 1 654 . 1 1 51 51 LEU CA C 13 53.1600 0.4 . 1 . . . . 51 LEU CA . 19419 1 655 . 1 1 51 51 LEU CB C 13 45.2740 0.4 . 1 . . . . 51 LEU CB . 19419 1 656 . 1 1 51 51 LEU CG C 13 27.4260 0.4 . 1 . . . . 51 LEU CG . 19419 1 657 . 1 1 51 51 LEU CD1 C 13 29.0970 0.4 . 2 . . . . 51 LEU CD1 . 19419 1 658 . 1 1 51 51 LEU CD2 C 13 23.7190 0.4 . 2 . . . . 51 LEU CD2 . 19419 1 659 . 1 1 51 51 LEU N N 15 122.2960 0.4 . 1 . . . . 51 LEU N . 19419 1 660 . 1 1 52 52 PHE H H 1 8.9070 0.03 . 1 . . . . 52 PHE HN . 19419 1 661 . 1 1 52 52 PHE HA H 1 6.0150 0.03 . 1 . . . . 52 PHE HA . 19419 1 662 . 1 1 52 52 PHE HB2 H 1 2.9720 0.03 . 2 . . . . 52 PHE HB1 . 19419 1 663 . 1 1 52 52 PHE HB3 H 1 2.5440 0.03 . 2 . . . . 52 PHE HB2 . 19419 1 664 . 1 1 52 52 PHE HD1 H 1 7.1550 0.03 . 3 . . . . 52 PHE HD1 . 19419 1 665 . 1 1 52 52 PHE HD2 H 1 7.1550 0.03 . 3 . . . . 52 PHE HD2 . 19419 1 666 . 1 1 52 52 PHE HE1 H 1 7.0500 0.03 . 3 . . . . 52 PHE HE1 . 19419 1 667 . 1 1 52 52 PHE HE2 H 1 7.0500 0.03 . 3 . . . . 52 PHE HE2 . 19419 1 668 . 1 1 52 52 PHE HZ H 1 6.8100 0.03 . 1 . . . . 52 PHE HZ . 19419 1 669 . 1 1 52 52 PHE C C 13 176.0290 0.4 . 1 . . . . 52 PHE C . 19419 1 670 . 1 1 52 52 PHE CA C 13 54.7940 0.4 . 1 . . . . 52 PHE CA . 19419 1 671 . 1 1 52 52 PHE CB C 13 42.9370 0.4 . 1 . . . . 52 PHE CB . 19419 1 672 . 1 1 52 52 PHE CD1 C 13 131.7930 0.4 . 3 . . . . 52 PHE CD1 . 19419 1 673 . 1 1 52 52 PHE CD2 C 13 131.7930 0.4 . 3 . . . . 52 PHE CD2 . 19419 1 674 . 1 1 52 52 PHE CE1 C 13 130.6020 0.4 . 3 . . . . 52 PHE CE1 . 19419 1 675 . 1 1 52 52 PHE CE2 C 13 130.6020 0.4 . 3 . . . . 52 PHE CE2 . 19419 1 676 . 1 1 52 52 PHE N N 15 121.6650 0.4 . 1 . . . . 52 PHE N . 19419 1 677 . 1 1 53 53 GLY H H 1 8.7180 0.03 . 1 . . . . 53 GLY HN . 19419 1 678 . 1 1 53 53 GLY HA2 H 1 5.7730 0.03 . 2 . . . . 53 GLY HA1 . 19419 1 679 . 1 1 53 53 GLY HA3 H 1 3.2450 0.03 . 2 . . . . 53 GLY HA2 . 19419 1 680 . 1 1 53 53 GLY C C 13 170.8370 0.4 . 1 . . . . 53 GLY C . 19419 1 681 . 1 1 53 53 GLY CA C 13 43.5040 0.4 . 1 . . . . 53 GLY CA . 19419 1 682 . 1 1 53 53 GLY N N 15 107.6610 0.4 . 1 . . . . 53 GLY N . 19419 1 683 . 1 1 54 54 ALA H H 1 8.9560 0.03 . 1 . . . . 54 ALA HN . 19419 1 684 . 1 1 54 54 ALA HA H 1 4.8570 0.03 . 1 . . . . 54 ALA HA . 19419 1 685 . 1 1 54 54 ALA HB1 H 1 1.5030 0.03 . 1 . . . . 54 ALA HB1 . 19419 1 686 . 1 1 54 54 ALA HB2 H 1 1.5030 0.03 . 1 . . . . 54 ALA HB1 . 19419 1 687 . 1 1 54 54 ALA HB3 H 1 1.5030 0.03 . 1 . . . . 54 ALA HB1 . 19419 1 688 . 1 1 54 54 ALA C C 13 174.7550 0.4 . 1 . . . . 54 ALA C . 19419 1 689 . 1 1 54 54 ALA CA C 13 52.0220 0.4 . 1 . . . . 54 ALA CA . 19419 1 690 . 1 1 54 54 ALA CB C 13 24.2570 0.4 . 1 . . . . 54 ALA CB . 19419 1 691 . 1 1 54 54 ALA N N 15 122.0810 0.4 . 1 . . . . 54 ALA N . 19419 1 692 . 1 1 55 55 GLU H H 1 9.1580 0.03 . 1 . . . . 55 GLU HN . 19419 1 693 . 1 1 55 55 GLU HA H 1 5.2750 0.03 . 1 . . . . 55 GLU HA . 19419 1 694 . 1 1 55 55 GLU HB2 H 1 1.8980 0.03 . 2 . . . . 55 GLU HB1 . 19419 1 695 . 1 1 55 55 GLU HB3 H 1 1.7560 0.03 . 2 . . . . 55 GLU HB2 . 19419 1 696 . 1 1 55 55 GLU HG2 H 1 2.0550 0.03 . 2 . . . . 55 GLU HG1 . 19419 1 697 . 1 1 55 55 GLU HG3 H 1 2.0550 0.03 . 2 . . . . 55 GLU HG2 . 19419 1 698 . 1 1 55 55 GLU C C 13 175.1410 0.4 . 1 . . . . 55 GLU C . 19419 1 699 . 1 1 55 55 GLU CA C 13 54.0510 0.4 . 1 . . . . 55 GLU CA . 19419 1 700 . 1 1 55 55 GLU CB C 13 32.6770 0.4 . 1 . . . . 55 GLU CB . 19419 1 701 . 1 1 55 55 GLU CG C 13 35.9380 0.4 . 1 . . . . 55 GLU CG . 19419 1 702 . 1 1 55 55 GLU N N 15 121.2450 0.4 . 1 . . . . 55 GLU N . 19419 1 703 . 1 1 56 56 ASN H H 1 8.4940 0.03 . 1 . . . . 56 ASN HN . 19419 1 704 . 1 1 56 56 ASN HA H 1 4.8640 0.03 . 1 . . . . 56 ASN HA . 19419 1 705 . 1 1 56 56 ASN HB2 H 1 2.6890 0.03 . 2 . . . . 56 ASN HB1 . 19419 1 706 . 1 1 56 56 ASN HB3 H 1 2.5770 0.03 . 2 . . . . 56 ASN HB2 . 19419 1 707 . 1 1 56 56 ASN HD21 H 1 7.6050 0.03 . 2 . . . . 56 ASN HD21 . 19419 1 708 . 1 1 56 56 ASN HD22 H 1 6.9530 0.03 . 2 . . . . 56 ASN HD22 . 19419 1 709 . 1 1 56 56 ASN C C 13 174.7440 0.4 . 1 . . . . 56 ASN C . 19419 1 710 . 1 1 56 56 ASN CA C 13 53.1330 0.4 . 1 . . . . 56 ASN CA . 19419 1 711 . 1 1 56 56 ASN CB C 13 41.6500 0.4 . 1 . . . . 56 ASN CB . 19419 1 712 . 1 1 56 56 ASN N N 15 121.6910 0.4 . 1 . . . . 56 ASN N . 19419 1 713 . 1 1 56 56 ASN ND2 N 15 112.6640 0.4 . 1 . . . . 56 ASN ND2 . 19419 1 714 . 1 1 57 57 ASP H H 1 9.5170 0.03 . 1 . . . . 57 ASP HN . 19419 1 715 . 1 1 57 57 ASP HA H 1 4.3350 0.03 . 1 . . . . 57 ASP HA . 19419 1 716 . 1 1 57 57 ASP HB2 H 1 2.9860 0.03 . 2 . . . . 57 ASP HB1 . 19419 1 717 . 1 1 57 57 ASP HB3 H 1 2.4950 0.03 . 2 . . . . 57 ASP HB2 . 19419 1 718 . 1 1 57 57 ASP C C 13 175.5910 0.4 . 1 . . . . 57 ASP C . 19419 1 719 . 1 1 57 57 ASP CA C 13 55.2200 0.4 . 1 . . . . 57 ASP CA . 19419 1 720 . 1 1 57 57 ASP CB C 13 39.9280 0.4 . 1 . . . . 57 ASP CB . 19419 1 721 . 1 1 57 57 ASP N N 15 127.3420 0.4 . 1 . . . . 57 ASP N . 19419 1 722 . 1 1 58 58 GLY H H 1 8.9100 0.03 . 1 . . . . 58 GLY HN . 19419 1 723 . 1 1 58 58 GLY HA2 H 1 4.1850 0.03 . 2 . . . . 58 GLY HA1 . 19419 1 724 . 1 1 58 58 GLY HA3 H 1 3.6810 0.03 . 2 . . . . 58 GLY HA2 . 19419 1 725 . 1 1 58 58 GLY C C 13 173.5610 0.4 . 1 . . . . 58 GLY C . 19419 1 726 . 1 1 58 58 GLY CA C 13 45.5270 0.4 . 1 . . . . 58 GLY CA . 19419 1 727 . 1 1 58 58 GLY N N 15 104.5390 0.4 . 1 . . . . 58 GLY N . 19419 1 728 . 1 1 59 59 LYS H H 1 7.9320 0.03 . 1 . . . . 59 LYS HN . 19419 1 729 . 1 1 59 59 LYS HA H 1 4.6930 0.03 . 1 . . . . 59 LYS HA . 19419 1 730 . 1 1 59 59 LYS HB2 H 1 2.0540 0.03 . 2 . . . . 59 LYS HB1 . 19419 1 731 . 1 1 59 59 LYS HB3 H 1 1.9410 0.03 . 2 . . . . 59 LYS HB2 . 19419 1 732 . 1 1 59 59 LYS HG2 H 1 1.4900 0.03 . 2 . . . . 59 LYS HG1 . 19419 1 733 . 1 1 59 59 LYS HG3 H 1 1.4580 0.03 . 2 . . . . 59 LYS HG2 . 19419 1 734 . 1 1 59 59 LYS HD2 H 1 1.7650 0.03 . 2 . . . . 59 LYS HD1 . 19419 1 735 . 1 1 59 59 LYS HD3 H 1 1.7050 0.03 . 2 . . . . 59 LYS HD2 . 19419 1 736 . 1 1 59 59 LYS HE2 H 1 3.0250 0.03 . 2 . . . . 59 LYS HE1 . 19419 1 737 . 1 1 59 59 LYS HE3 H 1 3.0430 0.03 . 2 . . . . 59 LYS HE2 . 19419 1 738 . 1 1 59 59 LYS C C 13 175.1410 0.4 . 1 . . . . 59 LYS C . 19419 1 739 . 1 1 59 59 LYS CA C 13 54.6860 0.4 . 1 . . . . 59 LYS CA . 19419 1 740 . 1 1 59 59 LYS CB C 13 34.1030 0.4 . 1 . . . . 59 LYS CB . 19419 1 741 . 1 1 59 59 LYS CG C 13 25.3340 0.4 . 1 . . . . 59 LYS CG . 19419 1 742 . 1 1 59 59 LYS CD C 13 28.8440 0.4 . 1 . . . . 59 LYS CD . 19419 1 743 . 1 1 59 59 LYS CE C 13 41.9170 0.4 . 1 . . . . 59 LYS CE . 19419 1 744 . 1 1 59 59 LYS N N 15 119.5300 0.4 . 1 . . . . 59 LYS N . 19419 1 745 . 1 1 60 60 ALA H H 1 8.4890 0.03 . 1 . . . . 60 ALA HN . 19419 1 746 . 1 1 60 60 ALA HA H 1 5.0770 0.03 . 1 . . . . 60 ALA HA . 19419 1 747 . 1 1 60 60 ALA HB1 H 1 1.0580 0.03 . 1 . . . . 60 ALA HB1 . 19419 1 748 . 1 1 60 60 ALA HB2 H 1 1.0580 0.03 . 1 . . . . 60 ALA HB1 . 19419 1 749 . 1 1 60 60 ALA HB3 H 1 1.0580 0.03 . 1 . . . . 60 ALA HB1 . 19419 1 750 . 1 1 60 60 ALA C C 13 175.8870 0.4 . 1 . . . . 60 ALA C . 19419 1 751 . 1 1 60 60 ALA CA C 13 50.2480 0.4 . 1 . . . . 60 ALA CA . 19419 1 752 . 1 1 60 60 ALA CB C 13 23.0020 0.4 . 1 . . . . 60 ALA CB . 19419 1 753 . 1 1 60 60 ALA N N 15 121.5340 0.4 . 1 . . . . 60 ALA N . 19419 1 754 . 1 1 61 61 LEU H H 1 9.0740 0.03 . 1 . . . . 61 LEU HN . 19419 1 755 . 1 1 61 61 LEU HA H 1 5.2400 0.03 . 1 . . . . 61 LEU HA . 19419 1 756 . 1 1 61 61 LEU HB2 H 1 1.6630 0.03 . 2 . . . . 61 LEU HB1 . 19419 1 757 . 1 1 61 61 LEU HB3 H 1 1.5550 0.03 . 2 . . . . 61 LEU HB2 . 19419 1 758 . 1 1 61 61 LEU HG H 1 1.5190 0.03 . 1 . . . . 61 LEU HG . 19419 1 759 . 1 1 61 61 LEU HD11 H 1 0.8600 0.03 . 2 . . . . 61 LEU HD11 . 19419 1 760 . 1 1 61 61 LEU HD12 H 1 0.8600 0.03 . 2 . . . . 61 LEU HD11 . 19419 1 761 . 1 1 61 61 LEU HD13 H 1 0.8600 0.03 . 2 . . . . 61 LEU HD11 . 19419 1 762 . 1 1 61 61 LEU HD21 H 1 0.9520 0.03 . 2 . . . . 61 LEU HD21 . 19419 1 763 . 1 1 61 61 LEU HD22 H 1 0.9520 0.03 . 2 . . . . 61 LEU HD21 . 19419 1 764 . 1 1 61 61 LEU HD23 H 1 0.9520 0.03 . 2 . . . . 61 LEU HD21 . 19419 1 765 . 1 1 61 61 LEU C C 13 175.7070 0.4 . 1 . . . . 61 LEU C . 19419 1 766 . 1 1 61 61 LEU CA C 13 54.4690 0.4 . 1 . . . . 61 LEU CA . 19419 1 767 . 1 1 61 61 LEU CB C 13 46.2230 0.4 . 1 . . . . 61 LEU CB . 19419 1 768 . 1 1 61 61 LEU CG C 13 27.1670 0.4 . 1 . . . . 61 LEU CG . 19419 1 769 . 1 1 61 61 LEU CD1 C 13 26.1690 0.4 . 2 . . . . 61 LEU CD1 . 19419 1 770 . 1 1 61 61 LEU CD2 C 13 24.3370 0.4 . 2 . . . . 61 LEU CD2 . 19419 1 771 . 1 1 61 61 LEU N N 15 124.3890 0.4 . 1 . . . . 61 LEU N . 19419 1 772 . 1 1 62 62 LEU H H 1 8.9140 0.03 . 1 . . . . 62 LEU HN . 19419 1 773 . 1 1 62 62 LEU HA H 1 5.4710 0.03 . 1 . . . . 62 LEU HA . 19419 1 774 . 1 1 62 62 LEU HB2 H 1 1.4920 0.03 . 2 . . . . 62 LEU HB1 . 19419 1 775 . 1 1 62 62 LEU HB3 H 1 1.2240 0.03 . 2 . . . . 62 LEU HB2 . 19419 1 776 . 1 1 62 62 LEU HG H 1 0.6640 0.03 . 1 . . . . 62 LEU HG . 19419 1 777 . 1 1 62 62 LEU HD11 H 1 0.8330 0.03 . 2 . . . . 62 LEU HD11 . 19419 1 778 . 1 1 62 62 LEU HD12 H 1 0.8330 0.03 . 2 . . . . 62 LEU HD11 . 19419 1 779 . 1 1 62 62 LEU HD13 H 1 0.8330 0.03 . 2 . . . . 62 LEU HD11 . 19419 1 780 . 1 1 62 62 LEU HD21 H 1 0.8330 0.03 . 2 . . . . 62 LEU HD21 . 19419 1 781 . 1 1 62 62 LEU HD22 H 1 0.8330 0.03 . 2 . . . . 62 LEU HD21 . 19419 1 782 . 1 1 62 62 LEU HD23 H 1 0.8330 0.03 . 2 . . . . 62 LEU HD21 . 19419 1 783 . 1 1 62 62 LEU C C 13 175.9710 0.4 . 1 . . . . 62 LEU C . 19419 1 784 . 1 1 62 62 LEU CA C 13 53.4010 0.4 . 1 . . . . 62 LEU CA . 19419 1 785 . 1 1 62 62 LEU CB C 13 46.6010 0.4 . 1 . . . . 62 LEU CB . 19419 1 786 . 1 1 62 62 LEU CG C 13 26.5360 0.4 . 1 . . . . 62 LEU CG . 19419 1 787 . 1 1 62 62 LEU CD1 C 13 23.5200 0.4 . 2 . . . . 62 LEU CD1 . 19419 1 788 . 1 1 62 62 LEU CD2 C 13 23.4960 0.4 . 2 . . . . 62 LEU CD2 . 19419 1 789 . 1 1 62 62 LEU N N 15 122.5150 0.4 . 1 . . . . 62 LEU N . 19419 1 790 . 1 1 63 63 SER H H 1 9.1340 0.03 . 1 . . . . 63 SER HN . 19419 1 791 . 1 1 63 63 SER HA H 1 5.1370 0.03 . 1 . . . . 63 SER HA . 19419 1 792 . 1 1 63 63 SER HB2 H 1 3.8230 0.03 . 2 . . . . 63 SER HB1 . 19419 1 793 . 1 1 63 63 SER HB3 H 1 3.6120 0.03 . 2 . . . . 63 SER HB2 . 19419 1 794 . 1 1 63 63 SER C C 13 171.0800 0.4 . 1 . . . . 63 SER C . 19419 1 795 . 1 1 63 63 SER CA C 13 57.7470 0.4 . 1 . . . . 63 SER CA . 19419 1 796 . 1 1 63 63 SER CB C 13 65.9630 0.4 . 1 . . . . 63 SER CB . 19419 1 797 . 1 1 63 63 SER N N 15 117.4460 0.4 . 1 . . . . 63 SER N . 19419 1 798 . 1 1 64 64 CYS H H 1 8.7190 0.03 . 1 . . . . 64 CYS HN . 19419 1 799 . 1 1 64 64 CYS HA H 1 5.3900 0.03 . 1 . . . . 64 CYS HA . 19419 1 800 . 1 1 64 64 CYS HB2 H 1 2.3220 0.03 . 2 . . . . 64 CYS HB1 . 19419 1 801 . 1 1 64 64 CYS HB3 H 1 2.1110 0.03 . 2 . . . . 64 CYS HB2 . 19419 1 802 . 1 1 64 64 CYS C C 13 170.9470 0.4 . 1 . . . . 64 CYS C . 19419 1 803 . 1 1 64 64 CYS CA C 13 55.5050 0.4 . 1 . . . . 64 CYS CA . 19419 1 804 . 1 1 64 64 CYS CB C 13 30.8810 0.4 . 1 . . . . 64 CYS CB . 19419 1 805 . 1 1 64 64 CYS N N 15 125.1850 0.4 . 1 . . . . 64 CYS N . 19419 1 806 . 1 1 65 65 TYR H H 1 8.9990 0.03 . 1 . . . . 65 TYR HN . 19419 1 807 . 1 1 65 65 TYR HA H 1 5.4570 0.03 . 1 . . . . 65 TYR HA . 19419 1 808 . 1 1 65 65 TYR HB2 H 1 2.9050 0.03 . 2 . . . . 65 TYR HB1 . 19419 1 809 . 1 1 65 65 TYR HB3 H 1 2.8680 0.03 . 2 . . . . 65 TYR HB2 . 19419 1 810 . 1 1 65 65 TYR HD1 H 1 6.6830 0.03 . 3 . . . . 65 TYR HD1 . 19419 1 811 . 1 1 65 65 TYR HD2 H 1 6.6740 0.03 . 3 . . . . 65 TYR HD2 . 19419 1 812 . 1 1 65 65 TYR HE1 H 1 6.3380 0.03 . 3 . . . . 65 TYR HE1 . 19419 1 813 . 1 1 65 65 TYR HE2 H 1 6.3370 0.03 . 3 . . . . 65 TYR HE2 . 19419 1 814 . 1 1 65 65 TYR C C 13 173.1020 0.4 . 1 . . . . 65 TYR C . 19419 1 815 . 1 1 65 65 TYR CA C 13 55.9050 0.4 . 1 . . . . 65 TYR CA . 19419 1 816 . 1 1 65 65 TYR CB C 13 44.1270 0.4 . 1 . . . . 65 TYR CB . 19419 1 817 . 1 1 65 65 TYR CD1 C 13 133.1700 0.4 . 3 . . . . 65 TYR CD1 . 19419 1 818 . 1 1 65 65 TYR CD2 C 13 133.1700 0.4 . 3 . . . . 65 TYR CD2 . 19419 1 819 . 1 1 65 65 TYR CE1 C 13 117.3900 0.4 . 3 . . . . 65 TYR CE1 . 19419 1 820 . 1 1 65 65 TYR CE2 C 13 117.3900 0.4 . 3 . . . . 65 TYR CE2 . 19419 1 821 . 1 1 65 65 TYR N N 15 129.9970 0.4 . 1 . . . . 65 TYR N . 19419 1 822 . 1 1 66 66 VAL H H 1 8.0840 0.03 . 1 . . . . 66 VAL HN . 19419 1 823 . 1 1 66 66 VAL HA H 1 4.8030 0.03 . 1 . . . . 66 VAL HA . 19419 1 824 . 1 1 66 66 VAL HB H 1 1.8710 0.03 . 1 . . . . 66 VAL HB . 19419 1 825 . 1 1 66 66 VAL HG11 H 1 0.8660 0.03 . 2 . . . . 66 VAL HG11 . 19419 1 826 . 1 1 66 66 VAL HG12 H 1 0.8660 0.03 . 2 . . . . 66 VAL HG11 . 19419 1 827 . 1 1 66 66 VAL HG13 H 1 0.8660 0.03 . 2 . . . . 66 VAL HG11 . 19419 1 828 . 1 1 66 66 VAL HG21 H 1 0.5670 0.03 . 2 . . . . 66 VAL HG21 . 19419 1 829 . 1 1 66 66 VAL HG22 H 1 0.5670 0.03 . 2 . . . . 66 VAL HG21 . 19419 1 830 . 1 1 66 66 VAL HG23 H 1 0.5670 0.03 . 2 . . . . 66 VAL HG21 . 19419 1 831 . 1 1 66 66 VAL C C 13 174.9490 0.4 . 1 . . . . 66 VAL C . 19419 1 832 . 1 1 66 66 VAL CA C 13 59.9280 0.4 . 1 . . . . 66 VAL CA . 19419 1 833 . 1 1 66 66 VAL CB C 13 35.7950 0.4 . 1 . . . . 66 VAL CB . 19419 1 834 . 1 1 66 66 VAL CG1 C 13 23.8250 0.4 . 2 . . . . 66 VAL CG1 . 19419 1 835 . 1 1 66 66 VAL CG2 C 13 21.9900 0.4 . 2 . . . . 66 VAL CG2 . 19419 1 836 . 1 1 66 66 VAL N N 15 127.8890 0.4 . 1 . . . . 66 VAL N . 19419 1 837 . 1 1 67 67 SER H H 1 8.9170 0.03 . 1 . . . . 67 SER HN . 19419 1 838 . 1 1 67 67 SER HA H 1 4.2200 0.03 . 1 . . . . 67 SER HA . 19419 1 839 . 1 1 67 67 SER HB2 H 1 4.5010 0.03 . 2 . . . . 67 SER HB1 . 19419 1 840 . 1 1 67 67 SER HB3 H 1 3.7020 0.03 . 2 . . . . 67 SER HB2 . 19419 1 841 . 1 1 67 67 SER C C 13 175.7970 0.4 . 1 . . . . 67 SER C . 19419 1 842 . 1 1 67 67 SER CA C 13 60.6860 0.4 . 1 . . . . 67 SER CA . 19419 1 843 . 1 1 67 67 SER CB C 13 64.5340 0.4 . 1 . . . . 67 SER CB . 19419 1 844 . 1 1 67 67 SER N N 15 120.1900 0.4 . 1 . . . . 67 SER N . 19419 1 845 . 1 1 68 68 LYS H H 1 8.7770 0.03 . 1 . . . . 68 LYS HN . 19419 1 846 . 1 1 68 68 LYS HA H 1 3.9170 0.03 . 1 . . . . 68 LYS HA . 19419 1 847 . 1 1 68 68 LYS HB2 H 1 1.7940 0.03 . 2 . . . . 68 LYS HB1 . 19419 1 848 . 1 1 68 68 LYS HB3 H 1 1.7940 0.03 . 2 . . . . 68 LYS HB2 . 19419 1 849 . 1 1 68 68 LYS HG2 H 1 1.3350 0.03 . 2 . . . . 68 LYS HG1 . 19419 1 850 . 1 1 68 68 LYS HG3 H 1 1.3090 0.03 . 2 . . . . 68 LYS HG2 . 19419 1 851 . 1 1 68 68 LYS HD2 H 1 1.5440 0.03 . 2 . . . . 68 LYS HD1 . 19419 1 852 . 1 1 68 68 LYS HD3 H 1 1.5440 0.03 . 2 . . . . 68 LYS HD2 . 19419 1 853 . 1 1 68 68 LYS HE2 H 1 2.6140 0.03 . 2 . . . . 68 LYS HE1 . 19419 1 854 . 1 1 68 68 LYS HE3 H 1 2.6140 0.03 . 2 . . . . 68 LYS HE2 . 19419 1 855 . 1 1 68 68 LYS C C 13 178.5760 0.4 . 1 . . . . 68 LYS C . 19419 1 856 . 1 1 68 68 LYS CA C 13 60.6640 0.4 . 1 . . . . 68 LYS CA . 19419 1 857 . 1 1 68 68 LYS CB C 13 32.3400 0.4 . 1 . . . . 68 LYS CB . 19419 1 858 . 1 1 68 68 LYS CG C 13 25.1860 0.4 . 1 . . . . 68 LYS CG . 19419 1 859 . 1 1 68 68 LYS CD C 13 29.3450 0.4 . 1 . . . . 68 LYS CD . 19419 1 860 . 1 1 68 68 LYS CE C 13 41.7440 0.4 . 1 . . . . 68 LYS CE . 19419 1 861 . 1 1 68 68 LYS N N 15 125.2160 0.4 . 1 . . . . 68 LYS N . 19419 1 862 . 1 1 69 69 GLU H H 1 9.7770 0.03 . 1 . . . . 69 GLU HN . 19419 1 863 . 1 1 69 69 GLU HA H 1 4.1720 0.03 . 1 . . . . 69 GLU HA . 19419 1 864 . 1 1 69 69 GLU HB2 H 1 2.4320 0.03 . 2 . . . . 69 GLU HB1 . 19419 1 865 . 1 1 69 69 GLU HB3 H 1 2.0500 0.03 . 2 . . . . 69 GLU HB2 . 19419 1 866 . 1 1 69 69 GLU HG2 H 1 2.5770 0.03 . 2 . . . . 69 GLU HG1 . 19419 1 867 . 1 1 69 69 GLU HG3 H 1 2.4140 0.03 . 2 . . . . 69 GLU HG2 . 19419 1 868 . 1 1 69 69 GLU C C 13 179.0290 0.4 . 1 . . . . 69 GLU C . 19419 1 869 . 1 1 69 69 GLU CA C 13 60.1970 0.4 . 1 . . . . 69 GLU CA . 19419 1 870 . 1 1 69 69 GLU CB C 13 28.6100 0.4 . 1 . . . . 69 GLU CB . 19419 1 871 . 1 1 69 69 GLU CG C 13 36.8920 0.4 . 1 . . . . 69 GLU CG . 19419 1 872 . 1 1 69 69 GLU N N 15 118.6050 0.4 . 1 . . . . 69 GLU N . 19419 1 873 . 1 1 70 70 LEU H H 1 7.4430 0.03 . 1 . . . . 70 LEU HN . 19419 1 874 . 1 1 70 70 LEU HA H 1 4.2180 0.03 . 1 . . . . 70 LEU HA . 19419 1 875 . 1 1 70 70 LEU HB2 H 1 2.0010 0.03 . 1 . . . . 70 LEU HB1 . 19419 1 876 . 1 1 70 70 LEU HB3 H 1 1.6670 0.03 . 2 . . . . 70 LEU HB2 . 19419 1 877 . 1 1 70 70 LEU HG H 1 1.6810 0.03 . 1 . . . . 70 LEU HG . 19419 1 878 . 1 1 70 70 LEU HD11 H 1 0.9920 0.03 . 2 . . . . 70 LEU HD11 . 19419 1 879 . 1 1 70 70 LEU HD12 H 1 0.9920 0.03 . 2 . . . . 70 LEU HD11 . 19419 1 880 . 1 1 70 70 LEU HD13 H 1 0.9920 0.03 . 2 . . . . 70 LEU HD11 . 19419 1 881 . 1 1 70 70 LEU HD21 H 1 0.9860 0.03 . 2 . . . . 70 LEU HD21 . 19419 1 882 . 1 1 70 70 LEU HD22 H 1 0.9860 0.03 . 2 . . . . 70 LEU HD21 . 19419 1 883 . 1 1 70 70 LEU HD23 H 1 0.9860 0.03 . 2 . . . . 70 LEU HD21 . 19419 1 884 . 1 1 70 70 LEU C C 13 179.5880 0.4 . 1 . . . . 70 LEU C . 19419 1 885 . 1 1 70 70 LEU CA C 13 56.9500 0.4 . 1 . . . . 70 LEU CA . 19419 1 886 . 1 1 70 70 LEU CB C 13 42.3810 0.4 . 1 . . . . 70 LEU CB . 19419 1 887 . 1 1 70 70 LEU CG C 13 27.6900 0.4 . 1 . . . . 70 LEU CG . 19419 1 888 . 1 1 70 70 LEU CD1 C 13 25.5760 0.4 . 2 . . . . 70 LEU CD1 . 19419 1 889 . 1 1 70 70 LEU CD2 C 13 24.4560 0.4 . 2 . . . . 70 LEU CD2 . 19419 1 890 . 1 1 70 70 LEU N N 15 119.2150 0.4 . 1 . . . . 70 LEU N . 19419 1 891 . 1 1 71 71 VAL H H 1 7.7990 0.03 . 1 . . . . 71 VAL HN . 19419 1 892 . 1 1 71 71 VAL HA H 1 4.0190 0.03 . 1 . . . . 71 VAL HA . 19419 1 893 . 1 1 71 71 VAL HB H 1 2.4140 0.03 . 1 . . . . 71 VAL HB . 19419 1 894 . 1 1 71 71 VAL HG11 H 1 0.8940 0.03 . 2 . . . . 71 VAL HG11 . 19419 1 895 . 1 1 71 71 VAL HG12 H 1 0.8940 0.03 . 2 . . . . 71 VAL HG11 . 19419 1 896 . 1 1 71 71 VAL HG13 H 1 0.8940 0.03 . 2 . . . . 71 VAL HG11 . 19419 1 897 . 1 1 71 71 VAL HG21 H 1 0.9460 0.03 . 2 . . . . 71 VAL HG21 . 19419 1 898 . 1 1 71 71 VAL HG22 H 1 0.9460 0.03 . 2 . . . . 71 VAL HG21 . 19419 1 899 . 1 1 71 71 VAL HG23 H 1 0.9460 0.03 . 2 . . . . 71 VAL HG21 . 19419 1 900 . 1 1 71 71 VAL C C 13 179.7700 0.4 . 1 . . . . 71 VAL C . 19419 1 901 . 1 1 71 71 VAL CA C 13 65.8030 0.4 . 1 . . . . 71 VAL CA . 19419 1 902 . 1 1 71 71 VAL CB C 13 32.3400 0.4 . 1 . . . . 71 VAL CB . 19419 1 903 . 1 1 71 71 VAL CG1 C 13 21.6470 0.4 . 2 . . . . 71 VAL CG1 . 19419 1 904 . 1 1 71 71 VAL CG2 C 13 20.8690 0.4 . 2 . . . . 71 VAL CG2 . 19419 1 905 . 1 1 71 71 VAL N N 15 123.0610 0.4 . 1 . . . . 71 VAL N . 19419 1 906 . 1 1 72 72 GLU H H 1 7.7140 0.03 . 1 . . . . 72 GLU HN . 19419 1 907 . 1 1 72 72 GLU HA H 1 4.0870 0.03 . 1 . . . . 72 GLU HA . 19419 1 908 . 1 1 72 72 GLU HB2 H 1 2.0980 0.03 . 2 . . . . 72 GLU HB1 . 19419 1 909 . 1 1 72 72 GLU HB3 H 1 2.0970 0.03 . 2 . . . . 72 GLU HB2 . 19419 1 910 . 1 1 72 72 GLU HG2 H 1 2.4350 0.03 . 2 . . . . 72 GLU HG1 . 19419 1 911 . 1 1 72 72 GLU HG3 H 1 2.3260 0.03 . 2 . . . . 72 GLU HG2 . 19419 1 912 . 1 1 72 72 GLU C C 13 178.6240 0.4 . 1 . . . . 72 GLU C . 19419 1 913 . 1 1 72 72 GLU CA C 13 59.0360 0.4 . 1 . . . . 72 GLU CA . 19419 1 914 . 1 1 72 72 GLU CB C 13 30.0460 0.4 . 1 . . . . 72 GLU CB . 19419 1 915 . 1 1 72 72 GLU CG C 13 36.2050 0.4 . 1 . . . . 72 GLU CG . 19419 1 916 . 1 1 72 72 GLU N N 15 116.4450 0.4 . 1 . . . . 72 GLU N . 19419 1 917 . 1 1 73 73 ARG H H 1 8.3210 0.03 . 1 . . . . 73 ARG HN . 19419 1 918 . 1 1 73 73 ARG HA H 1 4.3060 0.03 . 1 . . . . 73 ARG HA . 19419 1 919 . 1 1 73 73 ARG HB2 H 1 1.9820 0.03 . 2 . . . . 73 ARG HB1 . 19419 1 920 . 1 1 73 73 ARG HB3 H 1 1.8850 0.03 . 2 . . . . 73 ARG HB2 . 19419 1 921 . 1 1 73 73 ARG HG2 H 1 1.7190 0.03 . 2 . . . . 73 ARG HG1 . 19419 1 922 . 1 1 73 73 ARG HG3 H 1 1.7180 0.03 . 2 . . . . 73 ARG HG2 . 19419 1 923 . 1 1 73 73 ARG HD2 H 1 3.2290 0.03 . 2 . . . . 73 ARG HD1 . 19419 1 924 . 1 1 73 73 ARG HD3 H 1 3.2290 0.03 . 2 . . . . 73 ARG HD2 . 19419 1 925 . 1 1 73 73 ARG C C 13 177.9890 0.4 . 1 . . . . 73 ARG C . 19419 1 926 . 1 1 73 73 ARG CA C 13 58.5030 0.4 . 1 . . . . 73 ARG CA . 19419 1 927 . 1 1 73 73 ARG CB C 13 31.7040 0.4 . 1 . . . . 73 ARG CB . 19419 1 928 . 1 1 73 73 ARG CG C 13 27.9530 0.4 . 1 . . . . 73 ARG CG . 19419 1 929 . 1 1 73 73 ARG CD C 13 43.5120 0.4 . 1 . . . . 73 ARG CD . 19419 1 930 . 1 1 73 73 ARG N N 15 115.7020 0.4 . 1 . . . . 73 ARG N . 19419 1 931 . 1 1 74 74 LYS H H 1 8.0070 0.03 . 1 . . . . 74 LYS HN . 19419 1 932 . 1 1 74 74 LYS HA H 1 4.6860 0.03 . 1 . . . . 74 LYS HA . 19419 1 933 . 1 1 74 74 LYS HB2 H 1 2.0360 0.03 . 2 . . . . 74 LYS HB1 . 19419 1 934 . 1 1 74 74 LYS HB3 H 1 1.7970 0.03 . 2 . . . . 74 LYS HB2 . 19419 1 935 . 1 1 74 74 LYS HG2 H 1 1.4700 0.03 . 2 . . . . 74 LYS HG1 . 19419 1 936 . 1 1 74 74 LYS HG3 H 1 1.4250 0.03 . 2 . . . . 74 LYS HG2 . 19419 1 937 . 1 1 74 74 LYS HD2 H 1 2.0940 0.03 . 2 . . . . 74 LYS HD1 . 19419 1 938 . 1 1 74 74 LYS HD3 H 1 1.9400 0.03 . 2 . . . . 74 LYS HD2 . 19419 1 939 . 1 1 74 74 LYS HE2 H 1 2.9780 0.03 . 2 . . . . 74 LYS HE1 . 19419 1 940 . 1 1 74 74 LYS HE3 H 1 2.9470 0.03 . 2 . . . . 74 LYS HE2 . 19419 1 941 . 1 1 74 74 LYS C C 13 176.9280 0.4 . 1 . . . . 74 LYS C . 19419 1 942 . 1 1 74 74 LYS CA C 13 54.6800 0.4 . 1 . . . . 74 LYS CA . 19419 1 943 . 1 1 74 74 LYS CB C 13 34.4300 0.4 . 1 . . . . 74 LYS CB . 19419 1 944 . 1 1 74 74 LYS CG C 13 25.6000 0.4 . 1 . . . . 74 LYS CG . 19419 1 945 . 1 1 74 74 LYS CD C 13 28.2150 0.4 . 1 . . . . 74 LYS CD . 19419 1 946 . 1 1 74 74 LYS CE C 13 41.4360 0.4 . 1 . . . . 74 LYS CE . 19419 1 947 . 1 1 74 74 LYS N N 15 114.3640 0.4 . 1 . . . . 74 LYS N . 19419 1 948 . 1 1 75 75 GLY H H 1 7.5320 0.03 . 1 . . . . 75 GLY HN . 19419 1 949 . 1 1 75 75 GLY HA2 H 1 3.9870 0.03 . 2 . . . . 75 GLY HA1 . 19419 1 950 . 1 1 75 75 GLY HA3 H 1 3.9870 0.03 . 2 . . . . 75 GLY HA2 . 19419 1 951 . 1 1 75 75 GLY C C 13 174.8450 0.4 . 1 . . . . 75 GLY C . 19419 1 952 . 1 1 75 75 GLY CA C 13 46.4490 0.4 . 1 . . . . 75 GLY CA . 19419 1 953 . 1 1 75 75 GLY N N 15 108.5970 0.4 . 1 . . . . 75 GLY N . 19419 1 954 . 1 1 76 76 LEU H H 1 6.5180 0.03 . 1 . . . . 76 LEU HN . 19419 1 955 . 1 1 76 76 LEU HA H 1 4.2300 0.03 . 1 . . . . 76 LEU HA . 19419 1 956 . 1 1 76 76 LEU HB2 H 1 1.2700 0.03 . 2 . . . . 76 LEU HB1 . 19419 1 957 . 1 1 76 76 LEU HB3 H 1 1.0740 0.03 . 2 . . . . 76 LEU HB2 . 19419 1 958 . 1 1 76 76 LEU HG H 1 1.4360 0.03 . 1 . . . . 76 LEU HG . 19419 1 959 . 1 1 76 76 LEU HD11 H 1 0.7600 0.03 . 2 . . . . 76 LEU HD11 . 19419 1 960 . 1 1 76 76 LEU HD12 H 1 0.7600 0.03 . 2 . . . . 76 LEU HD11 . 19419 1 961 . 1 1 76 76 LEU HD13 H 1 0.7600 0.03 . 2 . . . . 76 LEU HD11 . 19419 1 962 . 1 1 76 76 LEU HD21 H 1 0.7790 0.03 . 2 . . . . 76 LEU HD21 . 19419 1 963 . 1 1 76 76 LEU HD22 H 1 0.7790 0.03 . 2 . . . . 76 LEU HD21 . 19419 1 964 . 1 1 76 76 LEU HD23 H 1 0.7790 0.03 . 2 . . . . 76 LEU HD21 . 19419 1 965 . 1 1 76 76 LEU C C 13 175.0980 0.4 . 1 . . . . 76 LEU C . 19419 1 966 . 1 1 76 76 LEU CA C 13 55.0490 0.4 . 1 . . . . 76 LEU CA . 19419 1 967 . 1 1 76 76 LEU CB C 13 44.2950 0.4 . 1 . . . . 76 LEU CB . 19419 1 968 . 1 1 76 76 LEU CG C 13 27.8910 0.4 . 1 . . . . 76 LEU CG . 19419 1 969 . 1 1 76 76 LEU CD1 C 13 25.4860 0.4 . 2 . . . . 76 LEU CD1 . 19419 1 970 . 1 1 76 76 LEU CD2 C 13 23.5900 0.4 . 2 . . . . 76 LEU CD2 . 19419 1 971 . 1 1 76 76 LEU N N 15 119.1770 0.4 . 1 . . . . 76 LEU N . 19419 1 972 . 1 1 77 77 ASN H H 1 7.7250 0.03 . 1 . . . . 77 ASN HN . 19419 1 973 . 1 1 77 77 ASN HA H 1 4.7550 0.03 . 1 . . . . 77 ASN HA . 19419 1 974 . 1 1 77 77 ASN HB2 H 1 2.8350 0.03 . 2 . . . . 77 ASN HB1 . 19419 1 975 . 1 1 77 77 ASN HB3 H 1 2.5690 0.03 . 2 . . . . 77 ASN HB2 . 19419 1 976 . 1 1 77 77 ASN HD21 H 1 7.9990 0.03 . 2 . . . . 77 ASN HD21 . 19419 1 977 . 1 1 77 77 ASN HD22 H 1 7.0080 0.03 . 2 . . . . 77 ASN HD22 . 19419 1 978 . 1 1 77 77 ASN C C 13 174.4840 0.4 . 1 . . . . 77 ASN C . 19419 1 979 . 1 1 77 77 ASN CA C 13 52.0690 0.4 . 1 . . . . 77 ASN CA . 19419 1 980 . 1 1 77 77 ASN CB C 13 40.3030 0.4 . 1 . . . . 77 ASN CB . 19419 1 981 . 1 1 77 77 ASN N N 15 116.9670 0.4 . 1 . . . . 77 ASN N . 19419 1 982 . 1 1 77 77 ASN ND2 N 15 113.8840 0.4 . 1 . . . . 77 ASN ND2 . 19419 1 983 . 1 1 78 78 ALA H H 1 9.5200 0.03 . 1 . . . . 78 ALA HN . 19419 1 984 . 1 1 78 78 ALA HA H 1 3.6910 0.03 . 1 . . . . 78 ALA HA . 19419 1 985 . 1 1 78 78 ALA HB1 H 1 0.9970 0.03 . 1 . . . . 78 ALA HB1 . 19419 1 986 . 1 1 78 78 ALA HB2 H 1 0.9970 0.03 . 1 . . . . 78 ALA HB1 . 19419 1 987 . 1 1 78 78 ALA HB3 H 1 0.9970 0.03 . 1 . . . . 78 ALA HB1 . 19419 1 988 . 1 1 78 78 ALA C C 13 178.0130 0.4 . 1 . . . . 78 ALA C . 19419 1 989 . 1 1 78 78 ALA CA C 13 55.5310 0.4 . 1 . . . . 78 ALA CA . 19419 1 990 . 1 1 78 78 ALA CB C 13 18.1870 0.4 . 1 . . . . 78 ALA CB . 19419 1 991 . 1 1 78 78 ALA N N 15 129.2420 0.4 . 1 . . . . 78 ALA N . 19419 1 992 . 1 1 79 79 GLY H H 1 7.2490 0.03 . 1 . . . . 79 GLY HN . 19419 1 993 . 1 1 79 79 GLY HA2 H 1 3.4810 0.03 . 2 . . . . 79 GLY HA1 . 19419 1 994 . 1 1 79 79 GLY HA3 H 1 3.1140 0.03 . 2 . . . . 79 GLY HA2 . 19419 1 995 . 1 1 79 79 GLY C C 13 174.4190 0.4 . 1 . . . . 79 GLY C . 19419 1 996 . 1 1 79 79 GLY CA C 13 47.0190 0.4 . 1 . . . . 79 GLY CA . 19419 1 997 . 1 1 79 79 GLY N N 15 103.8080 0.4 . 1 . . . . 79 GLY N . 19419 1 998 . 1 1 80 80 GLN H H 1 7.2300 0.03 . 1 . . . . 80 GLN HN . 19419 1 999 . 1 1 80 80 GLN HA H 1 3.9240 0.03 . 1 . . . . 80 GLN HA . 19419 1 1000 . 1 1 80 80 GLN HB2 H 1 2.1690 0.03 . 2 . . . . 80 GLN HB1 . 19419 1 1001 . 1 1 80 80 GLN HB3 H 1 1.9870 0.03 . 2 . . . . 80 GLN HB2 . 19419 1 1002 . 1 1 80 80 GLN HG2 H 1 2.3390 0.03 . 2 . . . . 80 GLN HG1 . 19419 1 1003 . 1 1 80 80 GLN HG3 H 1 2.2700 0.03 . 2 . . . . 80 GLN HG2 . 19419 1 1004 . 1 1 80 80 GLN HE21 H 1 7.7430 0.03 . 2 . . . . 80 GLN HE21 . 19419 1 1005 . 1 1 80 80 GLN HE22 H 1 6.9440 0.03 . 2 . . . . 80 GLN HE22 . 19419 1 1006 . 1 1 80 80 GLN C C 13 178.2560 0.4 . 1 . . . . 80 GLN C . 19419 1 1007 . 1 1 80 80 GLN CA C 13 58.1370 0.4 . 1 . . . . 80 GLN CA . 19419 1 1008 . 1 1 80 80 GLN CB C 13 28.3290 0.4 . 1 . . . . 80 GLN CB . 19419 1 1009 . 1 1 80 80 GLN CG C 13 33.0580 0.4 . 1 . . . . 80 GLN CG . 19419 1 1010 . 1 1 80 80 GLN N N 15 120.9410 0.4 . 1 . . . . 80 GLN N . 19419 1 1011 . 1 1 80 80 GLN NE2 N 15 111.7340 0.4 . 1 . . . . 80 GLN NE2 . 19419 1 1012 . 1 1 81 81 ILE H H 1 8.0980 0.03 . 1 . . . . 81 ILE HN . 19419 1 1013 . 1 1 81 81 ILE HA H 1 3.4110 0.03 . 1 . . . . 81 ILE HA . 19419 1 1014 . 1 1 81 81 ILE HB H 1 1.5860 0.03 . 1 . . . . 81 ILE HB . 19419 1 1015 . 1 1 81 81 ILE HG12 H 1 1.3740 0.03 . 2 . . . . 81 ILE HG11 . 19419 1 1016 . 1 1 81 81 ILE HG13 H 1 -0.2130 0.03 . 2 . . . . 81 ILE HG12 . 19419 1 1017 . 1 1 81 81 ILE HG21 H 1 0.6300 0.03 . 1 . . . . 81 ILE HG21 . 19419 1 1018 . 1 1 81 81 ILE HG22 H 1 0.6300 0.03 . 1 . . . . 81 ILE HG21 . 19419 1 1019 . 1 1 81 81 ILE HG23 H 1 0.6300 0.03 . 1 . . . . 81 ILE HG21 . 19419 1 1020 . 1 1 81 81 ILE HD11 H 1 0.2480 0.03 . 1 . . . . 81 ILE HD11 . 19419 1 1021 . 1 1 81 81 ILE HD12 H 1 0.2480 0.03 . 1 . . . . 81 ILE HD11 . 19419 1 1022 . 1 1 81 81 ILE HD13 H 1 0.2480 0.03 . 1 . . . . 81 ILE HD11 . 19419 1 1023 . 1 1 81 81 ILE C C 13 178.4110 0.4 . 1 . . . . 81 ILE C . 19419 1 1024 . 1 1 81 81 ILE CA C 13 65.7720 0.4 . 1 . . . . 81 ILE CA . 19419 1 1025 . 1 1 81 81 ILE CB C 13 37.6690 0.4 . 1 . . . . 81 ILE CB . 19419 1 1026 . 1 1 81 81 ILE CG1 C 13 28.3790 0.4 . 1 . . . . 81 ILE CG1 . 19419 1 1027 . 1 1 81 81 ILE CG2 C 13 16.8280 0.4 . 1 . . . . 81 ILE CG2 . 19419 1 1028 . 1 1 81 81 ILE CD1 C 13 13.9080 0.4 . 1 . . . . 81 ILE CD1 . 19419 1 1029 . 1 1 81 81 ILE N N 15 120.7710 0.4 . 1 . . . . 81 ILE N . 19419 1 1030 . 1 1 82 82 VAL H H 1 8.1730 0.03 . 1 . . . . 82 VAL HN . 19419 1 1031 . 1 1 82 82 VAL HA H 1 3.7290 0.03 . 1 . . . . 82 VAL HA . 19419 1 1032 . 1 1 82 82 VAL HB H 1 1.9450 0.03 . 1 . . . . 82 VAL HB . 19419 1 1033 . 1 1 82 82 VAL HG11 H 1 0.6420 0.03 . 2 . . . . 82 VAL HG11 . 19419 1 1034 . 1 1 82 82 VAL HG12 H 1 0.6420 0.03 . 2 . . . . 82 VAL HG11 . 19419 1 1035 . 1 1 82 82 VAL HG13 H 1 0.6420 0.03 . 2 . . . . 82 VAL HG11 . 19419 1 1036 . 1 1 82 82 VAL HG21 H 1 0.7180 0.03 . 2 . . . . 82 VAL HG21 . 19419 1 1037 . 1 1 82 82 VAL HG22 H 1 0.7180 0.03 . 2 . . . . 82 VAL HG21 . 19419 1 1038 . 1 1 82 82 VAL HG23 H 1 0.7180 0.03 . 2 . . . . 82 VAL HG21 . 19419 1 1039 . 1 1 82 82 VAL C C 13 177.5520 0.4 . 1 . . . . 82 VAL C . 19419 1 1040 . 1 1 82 82 VAL CA C 13 65.7850 0.4 . 1 . . . . 82 VAL CA . 19419 1 1041 . 1 1 82 82 VAL CB C 13 30.5050 0.4 . 1 . . . . 82 VAL CB . 19419 1 1042 . 1 1 82 82 VAL CG1 C 13 22.3310 0.4 . 2 . . . . 82 VAL CG1 . 19419 1 1043 . 1 1 82 82 VAL CG2 C 13 20.4040 0.4 . 2 . . . . 82 VAL CG2 . 19419 1 1044 . 1 1 82 82 VAL N N 15 111.4290 0.4 . 1 . . . . 82 VAL N . 19419 1 1045 . 1 1 83 83 ARG H H 1 7.2290 0.03 . 1 . . . . 83 ARG HN . 19419 1 1046 . 1 1 83 83 ARG HA H 1 3.9290 0.03 . 1 . . . . 83 ARG HA . 19419 1 1047 . 1 1 83 83 ARG HB2 H 1 1.9300 0.03 . 2 . . . . 83 ARG HB1 . 19419 1 1048 . 1 1 83 83 ARG HB3 H 1 1.9290 0.03 . 2 . . . . 83 ARG HB2 . 19419 1 1049 . 1 1 83 83 ARG HG2 H 1 1.7970 0.03 . 2 . . . . 83 ARG HG1 . 19419 1 1050 . 1 1 83 83 ARG HG3 H 1 1.5540 0.03 . 2 . . . . 83 ARG HG2 . 19419 1 1051 . 1 1 83 83 ARG HD2 H 1 3.2410 0.03 . 2 . . . . 83 ARG HD1 . 19419 1 1052 . 1 1 83 83 ARG HD3 H 1 3.1320 0.03 . 2 . . . . 83 ARG HD2 . 19419 1 1053 . 1 1 83 83 ARG C C 13 179.5070 0.4 . 1 . . . . 83 ARG C . 19419 1 1054 . 1 1 83 83 ARG CA C 13 59.6670 0.4 . 1 . . . . 83 ARG CA . 19419 1 1055 . 1 1 83 83 ARG CB C 13 30.0890 0.4 . 1 . . . . 83 ARG CB . 19419 1 1056 . 1 1 83 83 ARG CG C 13 28.0010 0.4 . 1 . . . . 83 ARG CG . 19419 1 1057 . 1 1 83 83 ARG CD C 13 43.7560 0.4 . 1 . . . . 83 ARG CD . 19419 1 1058 . 1 1 83 83 ARG N N 15 120.9530 0.4 . 1 . . . . 83 ARG N . 19419 1 1059 . 1 1 84 84 GLU H H 1 7.9710 0.03 . 1 . . . . 84 GLU HN . 19419 1 1060 . 1 1 84 84 GLU HA H 1 4.0620 0.03 . 1 . . . . 84 GLU HA . 19419 1 1061 . 1 1 84 84 GLU HB2 H 1 2.3170 0.03 . 2 . . . . 84 GLU HB1 . 19419 1 1062 . 1 1 84 84 GLU HB3 H 1 2.1200 0.03 . 2 . . . . 84 GLU HB2 . 19419 1 1063 . 1 1 84 84 GLU HG2 H 1 2.5480 0.03 . 2 . . . . 84 GLU HG1 . 19419 1 1064 . 1 1 84 84 GLU HG3 H 1 2.3260 0.03 . 2 . . . . 84 GLU HG2 . 19419 1 1065 . 1 1 84 84 GLU C C 13 179.8070 0.4 . 1 . . . . 84 GLU C . 19419 1 1066 . 1 1 84 84 GLU CA C 13 59.3380 0.4 . 1 . . . . 84 GLU CA . 19419 1 1067 . 1 1 84 84 GLU CB C 13 29.1850 0.4 . 1 . . . . 84 GLU CB . 19419 1 1068 . 1 1 84 84 GLU CG C 13 36.5550 0.4 . 1 . . . . 84 GLU CG . 19419 1 1069 . 1 1 84 84 GLU N N 15 120.3720 0.4 . 1 . . . . 84 GLU N . 19419 1 1070 . 1 1 85 85 LEU H H 1 8.7920 0.03 . 1 . . . . 85 LEU HN . 19419 1 1071 . 1 1 85 85 LEU HA H 1 4.4680 0.03 . 1 . . . . 85 LEU HA . 19419 1 1072 . 1 1 85 85 LEU HB2 H 1 1.6960 0.03 . 2 . . . . 85 LEU HB1 . 19419 1 1073 . 1 1 85 85 LEU HB3 H 1 1.5090 0.03 . 2 . . . . 85 LEU HB2 . 19419 1 1074 . 1 1 85 85 LEU HG H 1 2.3140 0.03 . 1 . . . . 85 LEU HG . 19419 1 1075 . 1 1 85 85 LEU HD11 H 1 0.9260 0.03 . 2 . . . . 85 LEU HD11 . 19419 1 1076 . 1 1 85 85 LEU HD12 H 1 0.9260 0.03 . 2 . . . . 85 LEU HD11 . 19419 1 1077 . 1 1 85 85 LEU HD13 H 1 0.9260 0.03 . 2 . . . . 85 LEU HD11 . 19419 1 1078 . 1 1 85 85 LEU HD21 H 1 1.1570 0.03 . 2 . . . . 85 LEU HD21 . 19419 1 1079 . 1 1 85 85 LEU HD22 H 1 1.1570 0.03 . 2 . . . . 85 LEU HD21 . 19419 1 1080 . 1 1 85 85 LEU HD23 H 1 1.1570 0.03 . 2 . . . . 85 LEU HD21 . 19419 1 1081 . 1 1 85 85 LEU C C 13 178.7860 0.4 . 1 . . . . 85 LEU C . 19419 1 1082 . 1 1 85 85 LEU CA C 13 56.2430 0.4 . 1 . . . . 85 LEU CA . 19419 1 1083 . 1 1 85 85 LEU CB C 13 42.0220 0.4 . 1 . . . . 85 LEU CB . 19419 1 1084 . 1 1 85 85 LEU CG C 13 26.2080 0.4 . 1 . . . . 85 LEU CG . 19419 1 1085 . 1 1 85 85 LEU CD1 C 13 27.9160 0.4 . 2 . . . . 85 LEU CD1 . 19419 1 1086 . 1 1 85 85 LEU CD2 C 13 23.3730 0.4 . 2 . . . . 85 LEU CD2 . 19419 1 1087 . 1 1 85 85 LEU N N 15 117.6060 0.4 . 1 . . . . 85 LEU N . 19419 1 1088 . 1 1 86 86 GLY H H 1 8.0060 0.03 . 1 . . . . 86 GLY HN . 19419 1 1089 . 1 1 86 86 GLY HA2 H 1 3.5960 0.03 . 2 . . . . 86 GLY HA1 . 19419 1 1090 . 1 1 86 86 GLY HA3 H 1 3.4030 0.03 . 2 . . . . 86 GLY HA2 . 19419 1 1091 . 1 1 86 86 GLY C C 13 175.6390 0.4 . 1 . . . . 86 GLY C . 19419 1 1092 . 1 1 86 86 GLY CA C 13 45.8850 0.4 . 1 . . . . 86 GLY CA . 19419 1 1093 . 1 1 86 86 GLY N N 15 107.1830 0.4 . 1 . . . . 86 GLY N . 19419 1 1094 . 1 1 87 87 LYS H H 1 7.4250 0.03 . 1 . . . . 87 LYS HN . 19419 1 1095 . 1 1 87 87 LYS HA H 1 4.1620 0.03 . 1 . . . . 87 LYS HA . 19419 1 1096 . 1 1 87 87 LYS HB2 H 1 1.6260 0.03 . 2 . . . . 87 LYS HB1 . 19419 1 1097 . 1 1 87 87 LYS HB3 H 1 1.5880 0.03 . 2 . . . . 87 LYS HB2 . 19419 1 1098 . 1 1 87 87 LYS HG2 H 1 1.2040 0.03 . 2 . . . . 87 LYS HG1 . 19419 1 1099 . 1 1 87 87 LYS HG3 H 1 1.0190 0.03 . 2 . . . . 87 LYS HG2 . 19419 1 1100 . 1 1 87 87 LYS HD2 H 1 1.4830 0.03 . 2 . . . . 87 LYS HD1 . 19419 1 1101 . 1 1 87 87 LYS HD3 H 1 1.4810 0.03 . 2 . . . . 87 LYS HD2 . 19419 1 1102 . 1 1 87 87 LYS HE2 H 1 2.7290 0.03 . 2 . . . . 87 LYS HE1 . 19419 1 1103 . 1 1 87 87 LYS HE3 H 1 2.7290 0.03 . 2 . . . . 87 LYS HE2 . 19419 1 1104 . 1 1 87 87 LYS C C 13 179.8770 0.4 . 1 . . . . 87 LYS C . 19419 1 1105 . 1 1 87 87 LYS CA C 13 59.1710 0.4 . 1 . . . . 87 LYS CA . 19419 1 1106 . 1 1 87 87 LYS CB C 13 31.4740 0.4 . 1 . . . . 87 LYS CB . 19419 1 1107 . 1 1 87 87 LYS CG C 13 23.9840 0.4 . 1 . . . . 87 LYS CG . 19419 1 1108 . 1 1 87 87 LYS CD C 13 29.0610 0.4 . 1 . . . . 87 LYS CD . 19419 1 1109 . 1 1 87 87 LYS CE C 13 41.9990 0.4 . 1 . . . . 87 LYS CE . 19419 1 1110 . 1 1 87 87 LYS N N 15 120.1580 0.4 . 1 . . . . 87 LYS N . 19419 1 1111 . 1 1 88 88 PHE H H 1 7.5750 0.03 . 1 . . . . 88 PHE HN . 19419 1 1112 . 1 1 88 88 PHE HA H 1 4.3820 0.03 . 1 . . . . 88 PHE HA . 19419 1 1113 . 1 1 88 88 PHE HB2 H 1 3.4670 0.03 . 2 . . . . 88 PHE HB1 . 19419 1 1114 . 1 1 88 88 PHE HB3 H 1 2.9120 0.03 . 2 . . . . 88 PHE HB2 . 19419 1 1115 . 1 1 88 88 PHE HD1 H 1 7.4970 0.03 . 3 . . . . 88 PHE HD1 . 19419 1 1116 . 1 1 88 88 PHE HD2 H 1 7.4970 0.03 . 3 . . . . 88 PHE HD2 . 19419 1 1117 . 1 1 88 88 PHE HE1 H 1 7.3750 0.03 . 3 . . . . 88 PHE HE1 . 19419 1 1118 . 1 1 88 88 PHE HE2 H 1 7.3750 0.03 . 3 . . . . 88 PHE HE2 . 19419 1 1119 . 1 1 88 88 PHE C C 13 177.8370 0.4 . 1 . . . . 88 PHE C . 19419 1 1120 . 1 1 88 88 PHE CA C 13 61.3570 0.4 . 1 . . . . 88 PHE CA . 19419 1 1121 . 1 1 88 88 PHE CB C 13 39.4180 0.4 . 1 . . . . 88 PHE CB . 19419 1 1122 . 1 1 88 88 PHE CD1 C 13 131.8110 0.4 . 3 . . . . 88 PHE CD1 . 19419 1 1123 . 1 1 88 88 PHE CD2 C 13 131.8110 0.4 . 3 . . . . 88 PHE CD2 . 19419 1 1124 . 1 1 88 88 PHE CE1 C 13 131.7640 0.4 . 3 . . . . 88 PHE CE1 . 19419 1 1125 . 1 1 88 88 PHE CE2 C 13 131.7640 0.4 . 3 . . . . 88 PHE CE2 . 19419 1 1126 . 1 1 88 88 PHE N N 15 116.5570 0.4 . 1 . . . . 88 PHE N . 19419 1 1127 . 1 1 89 89 ILE H H 1 6.8570 0.03 . 1 . . . . 89 ILE HN . 19419 1 1128 . 1 1 89 89 ILE HA H 1 4.9370 0.03 . 1 . . . . 89 ILE HA . 19419 1 1129 . 1 1 89 89 ILE HB H 1 1.9340 0.03 . 1 . . . . 89 ILE HB . 19419 1 1130 . 1 1 89 89 ILE HG12 H 1 1.2660 0.03 . 2 . . . . 89 ILE HG11 . 19419 1 1131 . 1 1 89 89 ILE HG13 H 1 0.9300 0.03 . 2 . . . . 89 ILE HG12 . 19419 1 1132 . 1 1 89 89 ILE HG21 H 1 0.6120 0.03 . 1 . . . . 89 ILE HG21 . 19419 1 1133 . 1 1 89 89 ILE HG22 H 1 0.6120 0.03 . 1 . . . . 89 ILE HG21 . 19419 1 1134 . 1 1 89 89 ILE HG23 H 1 0.6120 0.03 . 1 . . . . 89 ILE HG21 . 19419 1 1135 . 1 1 89 89 ILE HD11 H 1 0.5090 0.03 . 1 . . . . 89 ILE HD11 . 19419 1 1136 . 1 1 89 89 ILE HD12 H 1 0.5090 0.03 . 1 . . . . 89 ILE HD11 . 19419 1 1137 . 1 1 89 89 ILE HD13 H 1 0.5090 0.03 . 1 . . . . 89 ILE HD11 . 19419 1 1138 . 1 1 89 89 ILE C C 13 175.0350 0.4 . 1 . . . . 89 ILE C . 19419 1 1139 . 1 1 89 89 ILE CA C 13 59.9760 0.4 . 1 . . . . 89 ILE CA . 19419 1 1140 . 1 1 89 89 ILE CB C 13 37.5520 0.4 . 1 . . . . 89 ILE CB . 19419 1 1141 . 1 1 89 89 ILE CG1 C 13 27.5020 0.4 . 1 . . . . 89 ILE CG1 . 19419 1 1142 . 1 1 89 89 ILE CG2 C 13 17.2000 0.4 . 1 . . . . 89 ILE CG2 . 19419 1 1143 . 1 1 89 89 ILE CD1 C 13 14.1760 0.4 . 1 . . . . 89 ILE CD1 . 19419 1 1144 . 1 1 89 89 ILE N N 15 105.7390 0.4 . 1 . . . . 89 ILE N . 19419 1 1145 . 1 1 90 90 GLN H H 1 7.9040 0.03 . 1 . . . . 90 GLN HN . 19419 1 1146 . 1 1 90 90 GLN HA H 1 4.0170 0.03 . 1 . . . . 90 GLN HA . 19419 1 1147 . 1 1 90 90 GLN HB2 H 1 2.2390 0.03 . 2 . . . . 90 GLN HB1 . 19419 1 1148 . 1 1 90 90 GLN HB3 H 1 2.0440 0.03 . 2 . . . . 90 GLN HB2 . 19419 1 1149 . 1 1 90 90 GLN HG2 H 1 2.4740 0.03 . 2 . . . . 90 GLN HG1 . 19419 1 1150 . 1 1 90 90 GLN HG3 H 1 2.3190 0.03 . 2 . . . . 90 GLN HG2 . 19419 1 1151 . 1 1 90 90 GLN HE21 H 1 7.5540 0.03 . 2 . . . . 90 GLN HE21 . 19419 1 1152 . 1 1 90 90 GLN HE22 H 1 6.8300 0.03 . 2 . . . . 90 GLN HE22 . 19419 1 1153 . 1 1 90 90 GLN C C 13 175.5560 0.4 . 1 . . . . 90 GLN C . 19419 1 1154 . 1 1 90 90 GLN CA C 13 56.8980 0.4 . 1 . . . . 90 GLN CA . 19419 1 1155 . 1 1 90 90 GLN CB C 13 27.0380 0.4 . 1 . . . . 90 GLN CB . 19419 1 1156 . 1 1 90 90 GLN CG C 13 33.9530 0.4 . 1 . . . . 90 GLN CG . 19419 1 1157 . 1 1 90 90 GLN N N 15 120.7600 0.4 . 1 . . . . 90 GLN N . 19419 1 1158 . 1 1 90 90 GLN NE2 N 15 110.9600 0.4 . 1 . . . . 90 GLN NE2 . 19419 1 1159 . 1 1 91 91 GLY H H 1 7.8760 0.03 . 1 . . . . 91 GLY HN . 19419 1 1160 . 1 1 91 91 GLY HA2 H 1 4.5550 0.03 . 2 . . . . 91 GLY HA1 . 19419 1 1161 . 1 1 91 91 GLY HA3 H 1 4.4340 0.03 . 2 . . . . 91 GLY HA2 . 19419 1 1162 . 1 1 91 91 GLY C C 13 172.7720 0.4 . 1 . . . . 91 GLY C . 19419 1 1163 . 1 1 91 91 GLY CA C 13 45.7730 0.4 . 1 . . . . 91 GLY CA . 19419 1 1164 . 1 1 91 91 GLY N N 15 107.6760 0.4 . 1 . . . . 91 GLY N . 19419 1 1165 . 1 1 92 92 GLY H H 1 8.1180 0.03 . 1 . . . . 92 GLY HN . 19419 1 1166 . 1 1 92 92 GLY HA2 H 1 4.1410 0.03 . 2 . . . . 92 GLY HA1 . 19419 1 1167 . 1 1 92 92 GLY HA3 H 1 4.1400 0.03 . 2 . . . . 92 GLY HA2 . 19419 1 1168 . 1 1 92 92 GLY C C 13 172.1770 0.4 . 1 . . . . 92 GLY C . 19419 1 1169 . 1 1 92 92 GLY CA C 13 44.9980 0.4 . 1 . . . . 92 GLY CA . 19419 1 1170 . 1 1 92 92 GLY N N 15 107.6460 0.4 . 1 . . . . 92 GLY N . 19419 1 1171 . 1 1 93 93 GLY H H 1 8.0960 0.03 . 1 . . . . 93 GLY HN . 19419 1 1172 . 1 1 93 93 GLY HA2 H 1 4.5140 0.03 . 2 . . . . 93 GLY HA1 . 19419 1 1173 . 1 1 93 93 GLY HA3 H 1 4.1580 0.03 . 2 . . . . 93 GLY HA2 . 19419 1 1174 . 1 1 93 93 GLY C C 13 171.6940 0.4 . 1 . . . . 93 GLY C . 19419 1 1175 . 1 1 93 93 GLY CA C 13 45.8570 0.4 . 1 . . . . 93 GLY CA . 19419 1 1176 . 1 1 93 93 GLY N N 15 106.5420 0.4 . 1 . . . . 93 GLY N . 19419 1 1177 . 1 1 94 94 GLY H H 1 8.1310 0.03 . 1 . . . . 94 GLY HN . 19419 1 1178 . 1 1 94 94 GLY HA2 H 1 4.2810 0.03 . 2 . . . . 94 GLY HA1 . 19419 1 1179 . 1 1 94 94 GLY HA3 H 1 3.8550 0.03 . 2 . . . . 94 GLY HA2 . 19419 1 1180 . 1 1 94 94 GLY C C 13 172.0490 0.4 . 1 . . . . 94 GLY C . 19419 1 1181 . 1 1 94 94 GLY CA C 13 44.9860 0.4 . 1 . . . . 94 GLY CA . 19419 1 1182 . 1 1 94 94 GLY N N 15 107.8710 0.4 . 1 . . . . 94 GLY N . 19419 1 1183 . 1 1 95 95 GLY H H 1 8.4920 0.03 . 1 . . . . 95 GLY HN . 19419 1 1184 . 1 1 95 95 GLY HA2 H 1 4.4370 0.03 . 2 . . . . 95 GLY HA1 . 19419 1 1185 . 1 1 95 95 GLY HA3 H 1 3.9940 0.03 . 2 . . . . 95 GLY HA2 . 19419 1 1186 . 1 1 95 95 GLY C C 13 172.1990 0.4 . 1 . . . . 95 GLY C . 19419 1 1187 . 1 1 95 95 GLY CA C 13 46.1510 0.4 . 1 . . . . 95 GLY CA . 19419 1 1188 . 1 1 95 95 GLY N N 15 107.3430 0.4 . 1 . . . . 95 GLY N . 19419 1 1189 . 1 1 96 96 GLN H H 1 8.1350 0.03 . 1 . . . . 96 GLN HN . 19419 1 1190 . 1 1 96 96 GLN HA H 1 4.6590 0.03 . 1 . . . . 96 GLN HA . 19419 1 1191 . 1 1 96 96 GLN HB2 H 1 1.9480 0.03 . 2 . . . . 96 GLN HB1 . 19419 1 1192 . 1 1 96 96 GLN HB3 H 1 1.5690 0.03 . 2 . . . . 96 GLN HB2 . 19419 1 1193 . 1 1 96 96 GLN HG2 H 1 2.5280 0.03 . 2 . . . . 96 GLN HG1 . 19419 1 1194 . 1 1 96 96 GLN HG3 H 1 2.5280 0.03 . 2 . . . . 96 GLN HG2 . 19419 1 1195 . 1 1 96 96 GLN HE21 H 1 7.7380 0.03 . 2 . . . . 96 GLN HE21 . 19419 1 1196 . 1 1 96 96 GLN HE22 H 1 7.0760 0.03 . 2 . . . . 96 GLN HE22 . 19419 1 1197 . 1 1 96 96 GLN C C 13 174.8100 0.4 . 1 . . . . 96 GLN C . 19419 1 1198 . 1 1 96 96 GLN CA C 13 54.1220 0.4 . 1 . . . . 96 GLN CA . 19419 1 1199 . 1 1 96 96 GLN CB C 13 29.2220 0.4 . 1 . . . . 96 GLN CB . 19419 1 1200 . 1 1 96 96 GLN CG C 13 33.9700 0.4 . 1 . . . . 96 GLN CG . 19419 1 1201 . 1 1 96 96 GLN N N 15 122.1010 0.4 . 1 . . . . 96 GLN N . 19419 1 1202 . 1 1 96 96 GLN NE2 N 15 112.7650 0.4 . 1 . . . . 96 GLN NE2 . 19419 1 1203 . 1 1 97 97 PRO HA H 1 4.2470 0.03 . 1 . . . . 97 PRO HA . 19419 1 1204 . 1 1 97 97 PRO HB2 H 1 2.3170 0.03 . 2 . . . . 97 PRO HB1 . 19419 1 1205 . 1 1 97 97 PRO HB3 H 1 1.6580 0.03 . 2 . . . . 97 PRO HB2 . 19419 1 1206 . 1 1 97 97 PRO HG2 H 1 2.0970 0.03 . 2 . . . . 97 PRO HG1 . 19419 1 1207 . 1 1 97 97 PRO HG3 H 1 1.9320 0.03 . 2 . . . . 97 PRO HG2 . 19419 1 1208 . 1 1 97 97 PRO HD2 H 1 3.8880 0.03 . 2 . . . . 97 PRO HD1 . 19419 1 1209 . 1 1 97 97 PRO HD3 H 1 3.6410 0.03 . 2 . . . . 97 PRO HD2 . 19419 1 1210 . 1 1 97 97 PRO C C 13 175.8530 0.4 . 1 . . . . 97 PRO C . 19419 1 1211 . 1 1 97 97 PRO CA C 13 64.9600 0.4 . 1 . . . . 97 PRO CA . 19419 1 1212 . 1 1 97 97 PRO CB C 13 32.7170 0.4 . 1 . . . . 97 PRO CB . 19419 1 1213 . 1 1 97 97 PRO CG C 13 28.1800 0.4 . 1 . . . . 97 PRO CG . 19419 1 1214 . 1 1 97 97 PRO CD C 13 50.7610 0.4 . 1 . . . . 97 PRO CD . 19419 1 1215 . 1 1 98 98 PHE H H 1 6.0740 0.03 . 1 . . . . 98 PHE HN . 19419 1 1216 . 1 1 98 98 PHE HA H 1 5.0320 0.03 . 1 . . . . 98 PHE HA . 19419 1 1217 . 1 1 98 98 PHE HB2 H 1 3.3940 0.03 . 2 . . . . 98 PHE HB1 . 19419 1 1218 . 1 1 98 98 PHE HB3 H 1 2.9150 0.03 . 2 . . . . 98 PHE HB2 . 19419 1 1219 . 1 1 98 98 PHE HD1 H 1 7.2570 0.03 . 3 . . . . 98 PHE HD1 . 19419 1 1220 . 1 1 98 98 PHE HD2 H 1 7.2770 0.03 . 3 . . . . 98 PHE HD2 . 19419 1 1221 . 1 1 98 98 PHE HE1 H 1 7.6300 0.03 . 3 . . . . 98 PHE HE1 . 19419 1 1222 . 1 1 98 98 PHE HE2 H 1 7.6300 0.03 . 3 . . . . 98 PHE HE2 . 19419 1 1223 . 1 1 98 98 PHE C C 13 174.8170 0.4 . 1 . . . . 98 PHE C . 19419 1 1224 . 1 1 98 98 PHE CA C 13 54.4190 0.4 . 1 . . . . 98 PHE CA . 19419 1 1225 . 1 1 98 98 PHE CB C 13 40.4130 0.4 . 1 . . . . 98 PHE CB . 19419 1 1226 . 1 1 98 98 PHE CD1 C 13 131.9830 0.4 . 3 . . . . 98 PHE CD1 . 19419 1 1227 . 1 1 98 98 PHE CD2 C 13 131.9830 0.4 . 3 . . . . 98 PHE CD2 . 19419 1 1228 . 1 1 98 98 PHE CE1 C 13 131.7600 0.4 . 3 . . . . 98 PHE CE1 . 19419 1 1229 . 1 1 98 98 PHE CE2 C 13 131.7600 0.4 . 3 . . . . 98 PHE CE2 . 19419 1 1230 . 1 1 98 98 PHE N N 15 106.0000 0.4 . 1 . . . . 98 PHE N . 19419 1 1231 . 1 1 99 99 PHE H H 1 6.3440 0.03 . 1 . . . . 99 PHE HN . 19419 1 1232 . 1 1 99 99 PHE HA H 1 5.6340 0.03 . 1 . . . . 99 PHE HA . 19419 1 1233 . 1 1 99 99 PHE HB2 H 1 3.5510 0.03 . 2 . . . . 99 PHE HB1 . 19419 1 1234 . 1 1 99 99 PHE HB3 H 1 2.7140 0.03 . 2 . . . . 99 PHE HB2 . 19419 1 1235 . 1 1 99 99 PHE HD1 H 1 7.4070 0.03 . 3 . . . . 99 PHE HD1 . 19419 1 1236 . 1 1 99 99 PHE HD2 H 1 7.3790 0.03 . 3 . . . . 99 PHE HD2 . 19419 1 1237 . 1 1 99 99 PHE HE1 H 1 7.0940 0.03 . 3 . . . . 99 PHE HE1 . 19419 1 1238 . 1 1 99 99 PHE HE2 H 1 7.0940 0.03 . 3 . . . . 99 PHE HE2 . 19419 1 1239 . 1 1 99 99 PHE C C 13 173.1370 0.4 . 1 . . . . 99 PHE C . 19419 1 1240 . 1 1 99 99 PHE CA C 13 55.9230 0.4 . 1 . . . . 99 PHE CA . 19419 1 1241 . 1 1 99 99 PHE CB C 13 41.2930 0.4 . 1 . . . . 99 PHE CB . 19419 1 1242 . 1 1 99 99 PHE CD1 C 13 132.1870 0.4 . 3 . . . . 99 PHE CD1 . 19419 1 1243 . 1 1 99 99 PHE CD2 C 13 132.1870 0.4 . 3 . . . . 99 PHE CD2 . 19419 1 1244 . 1 1 99 99 PHE CE1 C 13 131.6570 0.4 . 3 . . . . 99 PHE CE1 . 19419 1 1245 . 1 1 99 99 PHE CE2 C 13 131.6570 0.4 . 3 . . . . 99 PHE CE2 . 19419 1 1246 . 1 1 99 99 PHE N N 15 117.6370 0.4 . 1 . . . . 99 PHE N . 19419 1 1247 . 1 1 100 100 ALA H H 1 8.2530 0.03 . 1 . . . . 100 ALA HN . 19419 1 1248 . 1 1 100 100 ALA HA H 1 4.4970 0.03 . 1 . . . . 100 ALA HA . 19419 1 1249 . 1 1 100 100 ALA HB1 H 1 1.0110 0.03 . 1 . . . . 100 ALA HB1 . 19419 1 1250 . 1 1 100 100 ALA HB2 H 1 1.0110 0.03 . 1 . . . . 100 ALA HB1 . 19419 1 1251 . 1 1 100 100 ALA HB3 H 1 1.0110 0.03 . 1 . . . . 100 ALA HB1 . 19419 1 1252 . 1 1 100 100 ALA C C 13 173.6180 0.4 . 1 . . . . 100 ALA C . 19419 1 1253 . 1 1 100 100 ALA CA C 13 51.0040 0.4 . 1 . . . . 100 ALA CA . 19419 1 1254 . 1 1 100 100 ALA CB C 13 23.2590 0.4 . 1 . . . . 100 ALA CB . 19419 1 1255 . 1 1 100 100 ALA N N 15 130.5670 0.4 . 1 . . . . 100 ALA N . 19419 1 1256 . 1 1 101 101 THR H H 1 7.7250 0.03 . 1 . . . . 101 THR HN . 19419 1 1257 . 1 1 101 101 THR HA H 1 5.3690 0.03 . 1 . . . . 101 THR HA . 19419 1 1258 . 1 1 101 101 THR HB H 1 4.0600 0.03 . 1 . . . . 101 THR HB . 19419 1 1259 . 1 1 101 101 THR HG1 H 1 5.4360 0.03 . 1 . . . . 101 THR HG1 . 19419 1 1260 . 1 1 101 101 THR HG21 H 1 1.1260 0.03 . 1 . . . . 101 THR HG21 . 19419 1 1261 . 1 1 101 101 THR HG22 H 1 1.1260 0.03 . 1 . . . . 101 THR HG21 . 19419 1 1262 . 1 1 101 101 THR HG23 H 1 1.1260 0.03 . 1 . . . . 101 THR HG21 . 19419 1 1263 . 1 1 101 101 THR C C 13 172.5680 0.4 . 1 . . . . 101 THR C . 19419 1 1264 . 1 1 101 101 THR CA C 13 59.6570 0.4 . 1 . . . . 101 THR CA . 19419 1 1265 . 1 1 101 101 THR CB C 13 72.8900 0.4 . 1 . . . . 101 THR CB . 19419 1 1266 . 1 1 101 101 THR CG2 C 13 21.7580 0.4 . 1 . . . . 101 THR CG2 . 19419 1 1267 . 1 1 101 101 THR N N 15 109.5920 0.4 . 1 . . . . 101 THR N . 19419 1 1268 . 1 1 102 102 ALA H H 1 9.2260 0.03 . 1 . . . . 102 ALA HN . 19419 1 1269 . 1 1 102 102 ALA HA H 1 4.8940 0.03 . 1 . . . . 102 ALA HA . 19419 1 1270 . 1 1 102 102 ALA HB1 H 1 1.0040 0.03 . 1 . . . . 102 ALA HB1 . 19419 1 1271 . 1 1 102 102 ALA HB2 H 1 1.0040 0.03 . 1 . . . . 102 ALA HB1 . 19419 1 1272 . 1 1 102 102 ALA HB3 H 1 1.0040 0.03 . 1 . . . . 102 ALA HB1 . 19419 1 1273 . 1 1 102 102 ALA C C 13 175.2810 0.4 . 1 . . . . 102 ALA C . 19419 1 1274 . 1 1 102 102 ALA CA C 13 50.7230 0.4 . 1 . . . . 102 ALA CA . 19419 1 1275 . 1 1 102 102 ALA CB C 13 23.1220 0.4 . 1 . . . . 102 ALA CB . 19419 1 1276 . 1 1 102 102 ALA N N 15 123.1450 0.4 . 1 . . . . 102 ALA N . 19419 1 1277 . 1 1 103 103 GLY H H 1 8.0970 0.03 . 1 . . . . 103 GLY HN . 19419 1 1278 . 1 1 103 103 GLY HA2 H 1 5.3020 0.03 . 2 . . . . 103 GLY HA1 . 19419 1 1279 . 1 1 103 103 GLY HA3 H 1 3.7710 0.03 . 2 . . . . 103 GLY HA2 . 19419 1 1280 . 1 1 103 103 GLY C C 13 173.5130 0.4 . 1 . . . . 103 GLY C . 19419 1 1281 . 1 1 103 103 GLY CA C 13 43.7320 0.4 . 1 . . . . 103 GLY CA . 19419 1 1282 . 1 1 103 103 GLY N N 15 107.4810 0.4 . 1 . . . . 103 GLY N . 19419 1 1283 . 1 1 104 104 GLY H H 1 8.5350 0.03 . 1 . . . . 104 GLY HN . 19419 1 1284 . 1 1 104 104 GLY HA2 H 1 4.6660 0.03 . 2 . . . . 104 GLY HA1 . 19419 1 1285 . 1 1 104 104 GLY HA3 H 1 3.7410 0.03 . 2 . . . . 104 GLY HA2 . 19419 1 1286 . 1 1 104 104 GLY C C 13 173.0880 0.4 . 1 . . . . 104 GLY C . 19419 1 1287 . 1 1 104 104 GLY CA C 13 46.2380 0.4 . 1 . . . . 104 GLY CA . 19419 1 1288 . 1 1 104 104 GLY N N 15 106.5510 0.4 . 1 . . . . 104 GLY N . 19419 1 1289 . 1 1 105 105 LYS H H 1 7.3490 0.03 . 1 . . . . 105 LYS HN . 19419 1 1290 . 1 1 105 105 LYS HA H 1 4.7590 0.03 . 1 . . . . 105 LYS HA . 19419 1 1291 . 1 1 105 105 LYS HB2 H 1 2.1130 0.03 . 2 . . . . 105 LYS HB1 . 19419 1 1292 . 1 1 105 105 LYS HB3 H 1 1.9590 0.03 . 2 . . . . 105 LYS HB2 . 19419 1 1293 . 1 1 105 105 LYS HG2 H 1 1.6390 0.03 . 2 . . . . 105 LYS HG1 . 19419 1 1294 . 1 1 105 105 LYS HG3 H 1 1.5990 0.03 . 2 . . . . 105 LYS HG2 . 19419 1 1295 . 1 1 105 105 LYS HD2 H 1 1.8120 0.03 . 2 . . . . 105 LYS HD1 . 19419 1 1296 . 1 1 105 105 LYS HD3 H 1 1.7760 0.03 . 2 . . . . 105 LYS HD2 . 19419 1 1297 . 1 1 105 105 LYS HE2 H 1 3.0550 0.03 . 2 . . . . 105 LYS HE1 . 19419 1 1298 . 1 1 105 105 LYS HE3 H 1 3.0560 0.03 . 2 . . . . 105 LYS HE2 . 19419 1 1299 . 1 1 105 105 LYS C C 13 175.3920 0.4 . 1 . . . . 105 LYS C . 19419 1 1300 . 1 1 105 105 LYS CA C 13 56.4040 0.4 . 1 . . . . 105 LYS CA . 19419 1 1301 . 1 1 105 105 LYS CB C 13 33.9510 0.4 . 1 . . . . 105 LYS CB . 19419 1 1302 . 1 1 105 105 LYS CG C 13 24.8330 0.4 . 1 . . . . 105 LYS CG . 19419 1 1303 . 1 1 105 105 LYS CD C 13 29.4980 0.4 . 1 . . . . 105 LYS CD . 19419 1 1304 . 1 1 105 105 LYS CE C 13 42.0420 0.4 . 1 . . . . 105 LYS CE . 19419 1 1305 . 1 1 105 105 LYS N N 15 116.9260 0.4 . 1 . . . . 105 LYS N . 19419 1 1306 . 1 1 106 106 ASN H H 1 8.1070 0.03 . 1 . . . . 106 ASN HN . 19419 1 1307 . 1 1 106 106 ASN HA H 1 5.5410 0.03 . 1 . . . . 106 ASN HA . 19419 1 1308 . 1 1 106 106 ASN HB2 H 1 2.5340 0.03 . 2 . . . . 106 ASN HB1 . 19419 1 1309 . 1 1 106 106 ASN HB3 H 1 2.5330 0.03 . 2 . . . . 106 ASN HB2 . 19419 1 1310 . 1 1 106 106 ASN HD21 H 1 7.3230 0.03 . 2 . . . . 106 ASN HD21 . 19419 1 1311 . 1 1 106 106 ASN HD22 H 1 7.2310 0.03 . 2 . . . . 106 ASN HD22 . 19419 1 1312 . 1 1 106 106 ASN C C 13 173.3560 0.4 . 1 . . . . 106 ASN C . 19419 1 1313 . 1 1 106 106 ASN CA C 13 50.0540 0.4 . 1 . . . . 106 ASN CA . 19419 1 1314 . 1 1 106 106 ASN CB C 13 39.9160 0.4 . 1 . . . . 106 ASN CB . 19419 1 1315 . 1 1 106 106 ASN N N 15 113.7800 0.4 . 1 . . . . 106 ASN N . 19419 1 1316 . 1 1 106 106 ASN ND2 N 15 111.8700 0.4 . 1 . . . . 106 ASN ND2 . 19419 1 1317 . 1 1 107 107 PRO HA H 1 4.1300 0.03 . 1 . . . . 107 PRO HA . 19419 1 1318 . 1 1 107 107 PRO HB2 H 1 2.0640 0.03 . 2 . . . . 107 PRO HB1 . 19419 1 1319 . 1 1 107 107 PRO HB3 H 1 1.9540 0.03 . 2 . . . . 107 PRO HB2 . 19419 1 1320 . 1 1 107 107 PRO HG2 H 1 2.0280 0.03 . 2 . . . . 107 PRO HG1 . 19419 1 1321 . 1 1 107 107 PRO HG3 H 1 1.6150 0.03 . 2 . . . . 107 PRO HG2 . 19419 1 1322 . 1 1 107 107 PRO HD2 H 1 4.1090 0.03 . 2 . . . . 107 PRO HD1 . 19419 1 1323 . 1 1 107 107 PRO HD3 H 1 3.4170 0.03 . 2 . . . . 107 PRO HD2 . 19419 1 1324 . 1 1 107 107 PRO C C 13 177.3950 0.4 . 1 . . . . 107 PRO C . 19419 1 1325 . 1 1 107 107 PRO CA C 13 64.7090 0.4 . 1 . . . . 107 PRO CA . 19419 1 1326 . 1 1 107 107 PRO CB C 13 31.7620 0.4 . 1 . . . . 107 PRO CB . 19419 1 1327 . 1 1 107 107 PRO CG C 13 27.4090 0.4 . 1 . . . . 107 PRO CG . 19419 1 1328 . 1 1 107 107 PRO CD C 13 51.2130 0.4 . 1 . . . . 107 PRO CD . 19419 1 1329 . 1 1 108 108 ALA H H 1 7.9990 0.03 . 1 . . . . 108 ALA HN . 19419 1 1330 . 1 1 108 108 ALA HA H 1 4.2200 0.03 . 1 . . . . 108 ALA HA . 19419 1 1331 . 1 1 108 108 ALA HB1 H 1 1.5140 0.03 . 1 . . . . 108 ALA HB1 . 19419 1 1332 . 1 1 108 108 ALA HB2 H 1 1.5140 0.03 . 1 . . . . 108 ALA HB1 . 19419 1 1333 . 1 1 108 108 ALA HB3 H 1 1.5140 0.03 . 1 . . . . 108 ALA HB1 . 19419 1 1334 . 1 1 108 108 ALA C C 13 179.1970 0.4 . 1 . . . . 108 ALA C . 19419 1 1335 . 1 1 108 108 ALA CA C 13 54.5490 0.4 . 1 . . . . 108 ALA CA . 19419 1 1336 . 1 1 108 108 ALA CB C 13 17.6810 0.4 . 1 . . . . 108 ALA CB . 19419 1 1337 . 1 1 108 108 ALA N N 15 122.0370 0.4 . 1 . . . . 108 ALA N . 19419 1 1338 . 1 1 109 109 GLY H H 1 7.6790 0.03 . 1 . . . . 109 GLY HN . 19419 1 1339 . 1 1 109 109 GLY HA2 H 1 4.3330 0.03 . 2 . . . . 109 GLY HA1 . 19419 1 1340 . 1 1 109 109 GLY HA3 H 1 4.0490 0.03 . 2 . . . . 109 GLY HA2 . 19419 1 1341 . 1 1 109 109 GLY C C 13 174.4020 0.4 . 1 . . . . 109 GLY C . 19419 1 1342 . 1 1 109 109 GLY CA C 13 45.2520 0.4 . 1 . . . . 109 GLY CA . 19419 1 1343 . 1 1 109 109 GLY N N 15 104.2840 0.4 . 1 . . . . 109 GLY N . 19419 1 1344 . 1 1 110 110 ILE H H 1 7.5930 0.03 . 1 . . . . 110 ILE HN . 19419 1 1345 . 1 1 110 110 ILE HA H 1 3.2240 0.03 . 1 . . . . 110 ILE HA . 19419 1 1346 . 1 1 110 110 ILE HB H 1 1.8980 0.03 . 1 . . . . 110 ILE HB . 19419 1 1347 . 1 1 110 110 ILE HG12 H 1 1.8400 0.03 . 2 . . . . 110 ILE HG11 . 19419 1 1348 . 1 1 110 110 ILE HG13 H 1 0.7750 0.03 . 2 . . . . 110 ILE HG12 . 19419 1 1349 . 1 1 110 110 ILE HG21 H 1 0.7520 0.03 . 1 . . . . 110 ILE HG21 . 19419 1 1350 . 1 1 110 110 ILE HG22 H 1 0.7520 0.03 . 1 . . . . 110 ILE HG21 . 19419 1 1351 . 1 1 110 110 ILE HG23 H 1 0.7520 0.03 . 1 . . . . 110 ILE HG21 . 19419 1 1352 . 1 1 110 110 ILE HD11 H 1 0.9490 0.03 . 1 . . . . 110 ILE HD11 . 19419 1 1353 . 1 1 110 110 ILE HD12 H 1 0.9490 0.03 . 1 . . . . 110 ILE HD11 . 19419 1 1354 . 1 1 110 110 ILE HD13 H 1 0.9490 0.03 . 1 . . . . 110 ILE HD11 . 19419 1 1355 . 1 1 110 110 ILE C C 13 176.7820 0.4 . 1 . . . . 110 ILE C . 19419 1 1356 . 1 1 110 110 ILE CA C 13 66.3060 0.4 . 1 . . . . 110 ILE CA . 19419 1 1357 . 1 1 110 110 ILE CB C 13 37.5140 0.4 . 1 . . . . 110 ILE CB . 19419 1 1358 . 1 1 110 110 ILE CG1 C 13 31.4290 0.4 . 1 . . . . 110 ILE CG1 . 19419 1 1359 . 1 1 110 110 ILE CG2 C 13 17.2580 0.4 . 1 . . . . 110 ILE CG2 . 19419 1 1360 . 1 1 110 110 ILE CD1 C 13 14.2960 0.4 . 1 . . . . 110 ILE CD1 . 19419 1 1361 . 1 1 110 110 ILE N N 15 120.3980 0.4 . 1 . . . . 110 ILE N . 19419 1 1362 . 1 1 111 111 ALA H H 1 8.2090 0.03 . 1 . . . . 111 ALA HN . 19419 1 1363 . 1 1 111 111 ALA HA H 1 3.8650 0.03 . 1 . . . . 111 ALA HA . 19419 1 1364 . 1 1 111 111 ALA HB1 H 1 1.4330 0.03 . 1 . . . . 111 ALA HB1 . 19419 1 1365 . 1 1 111 111 ALA HB2 H 1 1.4330 0.03 . 1 . . . . 111 ALA HB1 . 19419 1 1366 . 1 1 111 111 ALA HB3 H 1 1.4330 0.03 . 1 . . . . 111 ALA HB1 . 19419 1 1367 . 1 1 111 111 ALA C C 13 180.3980 0.4 . 1 . . . . 111 ALA C . 19419 1 1368 . 1 1 111 111 ALA CA C 13 55.9420 0.4 . 1 . . . . 111 ALA CA . 19419 1 1369 . 1 1 111 111 ALA CB C 13 17.8190 0.4 . 1 . . . . 111 ALA CB . 19419 1 1370 . 1 1 111 111 ALA N N 15 119.7000 0.4 . 1 . . . . 111 ALA N . 19419 1 1371 . 1 1 112 112 GLU H H 1 7.7430 0.03 . 1 . . . . 112 GLU HN . 19419 1 1372 . 1 1 112 112 GLU HA H 1 3.7760 0.03 . 1 . . . . 112 GLU HA . 19419 1 1373 . 1 1 112 112 GLU HB2 H 1 1.8950 0.03 . 2 . . . . 112 GLU HB1 . 19419 1 1374 . 1 1 112 112 GLU HB3 H 1 1.5970 0.03 . 2 . . . . 112 GLU HB2 . 19419 1 1375 . 1 1 112 112 GLU HG2 H 1 2.1040 0.03 . 2 . . . . 112 GLU HG1 . 19419 1 1376 . 1 1 112 112 GLU HG3 H 1 1.8800 0.03 . 2 . . . . 112 GLU HG2 . 19419 1 1377 . 1 1 112 112 GLU C C 13 178.6900 0.4 . 1 . . . . 112 GLU C . 19419 1 1378 . 1 1 112 112 GLU CA C 13 59.0450 0.4 . 1 . . . . 112 GLU CA . 19419 1 1379 . 1 1 112 112 GLU CB C 13 29.7710 0.4 . 1 . . . . 112 GLU CB . 19419 1 1380 . 1 1 112 112 GLU CG C 13 37.0250 0.4 . 1 . . . . 112 GLU CG . 19419 1 1381 . 1 1 112 112 GLU N N 15 117.7690 0.4 . 1 . . . . 112 GLU N . 19419 1 1382 . 1 1 113 113 ALA H H 1 7.6280 0.03 . 1 . . . . 113 ALA HN . 19419 1 1383 . 1 1 113 113 ALA HA H 1 3.6330 0.03 . 1 . . . . 113 ALA HA . 19419 1 1384 . 1 1 113 113 ALA HB1 H 1 1.4820 0.03 . 1 . . . . 113 ALA HB1 . 19419 1 1385 . 1 1 113 113 ALA HB2 H 1 1.4820 0.03 . 1 . . . . 113 ALA HB1 . 19419 1 1386 . 1 1 113 113 ALA HB3 H 1 1.4820 0.03 . 1 . . . . 113 ALA HB1 . 19419 1 1387 . 1 1 113 113 ALA C C 13 178.1300 0.4 . 1 . . . . 113 ALA C . 19419 1 1388 . 1 1 113 113 ALA CA C 13 55.0130 0.4 . 1 . . . . 113 ALA CA . 19419 1 1389 . 1 1 113 113 ALA CB C 13 18.6940 0.4 . 1 . . . . 113 ALA CB . 19419 1 1390 . 1 1 113 113 ALA N N 15 122.4480 0.4 . 1 . . . . 113 ALA N . 19419 1 1391 . 1 1 114 114 LEU H H 1 8.1120 0.03 . 1 . . . . 114 LEU HN . 19419 1 1392 . 1 1 114 114 LEU HA H 1 3.8360 0.03 . 1 . . . . 114 LEU HA . 19419 1 1393 . 1 1 114 114 LEU HB2 H 1 1.8660 0.03 . 2 . . . . 114 LEU HB1 . 19419 1 1394 . 1 1 114 114 LEU HB3 H 1 1.2280 0.03 . 2 . . . . 114 LEU HB2 . 19419 1 1395 . 1 1 114 114 LEU HG H 1 1.9940 0.03 . 1 . . . . 114 LEU HG . 19419 1 1396 . 1 1 114 114 LEU HD11 H 1 0.6480 0.03 . 2 . . . . 114 LEU HD11 . 19419 1 1397 . 1 1 114 114 LEU HD12 H 1 0.6480 0.03 . 2 . . . . 114 LEU HD11 . 19419 1 1398 . 1 1 114 114 LEU HD13 H 1 0.6480 0.03 . 2 . . . . 114 LEU HD11 . 19419 1 1399 . 1 1 114 114 LEU HD21 H 1 0.4640 0.03 . 2 . . . . 114 LEU HD21 . 19419 1 1400 . 1 1 114 114 LEU HD22 H 1 0.4640 0.03 . 2 . . . . 114 LEU HD21 . 19419 1 1401 . 1 1 114 114 LEU HD23 H 1 0.4640 0.03 . 2 . . . . 114 LEU HD21 . 19419 1 1402 . 1 1 114 114 LEU C C 13 179.6410 0.4 . 1 . . . . 114 LEU C . 19419 1 1403 . 1 1 114 114 LEU CA C 13 57.8270 0.4 . 1 . . . . 114 LEU CA . 19419 1 1404 . 1 1 114 114 LEU CB C 13 40.0580 0.4 . 1 . . . . 114 LEU CB . 19419 1 1405 . 1 1 114 114 LEU CG C 13 25.9080 0.4 . 1 . . . . 114 LEU CG . 19419 1 1406 . 1 1 114 114 LEU CD1 C 13 26.4950 0.4 . 2 . . . . 114 LEU CD1 . 19419 1 1407 . 1 1 114 114 LEU CD2 C 13 21.7460 0.4 . 2 . . . . 114 LEU CD2 . 19419 1 1408 . 1 1 114 114 LEU N N 15 113.5580 0.4 . 1 . . . . 114 LEU N . 19419 1 1409 . 1 1 115 115 GLU H H 1 7.3100 0.03 . 1 . . . . 115 GLU HN . 19419 1 1410 . 1 1 115 115 GLU HA H 1 4.0980 0.03 . 1 . . . . 115 GLU HA . 19419 1 1411 . 1 1 115 115 GLU HB2 H 1 1.9550 0.03 . 2 . . . . 115 GLU HB1 . 19419 1 1412 . 1 1 115 115 GLU HB3 H 1 1.9550 0.03 . 2 . . . . 115 GLU HB2 . 19419 1 1413 . 1 1 115 115 GLU HG2 H 1 2.2710 0.03 . 2 . . . . 115 GLU HG1 . 19419 1 1414 . 1 1 115 115 GLU HG3 H 1 2.2300 0.03 . 2 . . . . 115 GLU HG2 . 19419 1 1415 . 1 1 115 115 GLU C C 13 179.4510 0.4 . 1 . . . . 115 GLU C . 19419 1 1416 . 1 1 115 115 GLU CA C 13 58.2570 0.4 . 1 . . . . 115 GLU CA . 19419 1 1417 . 1 1 115 115 GLU CB C 13 29.7680 0.4 . 1 . . . . 115 GLU CB . 19419 1 1418 . 1 1 115 115 GLU CG C 13 35.4260 0.4 . 1 . . . . 115 GLU CG . 19419 1 1419 . 1 1 115 115 GLU N N 15 117.1480 0.4 . 1 . . . . 115 GLU N . 19419 1 1420 . 1 1 116 116 ALA H H 1 7.9850 0.03 . 1 . . . . 116 ALA HN . 19419 1 1421 . 1 1 116 116 ALA HA H 1 4.0420 0.03 . 1 . . . . 116 ALA HA . 19419 1 1422 . 1 1 116 116 ALA HB1 H 1 1.3880 0.03 . 1 . . . . 116 ALA HB1 . 19419 1 1423 . 1 1 116 116 ALA HB2 H 1 1.3880 0.03 . 1 . . . . 116 ALA HB1 . 19419 1 1424 . 1 1 116 116 ALA HB3 H 1 1.3880 0.03 . 1 . . . . 116 ALA HB1 . 19419 1 1425 . 1 1 116 116 ALA C C 13 179.5340 0.4 . 1 . . . . 116 ALA C . 19419 1 1426 . 1 1 116 116 ALA CA C 13 54.1540 0.4 . 1 . . . . 116 ALA CA . 19419 1 1427 . 1 1 116 116 ALA CB C 13 18.9610 0.4 . 1 . . . . 116 ALA CB . 19419 1 1428 . 1 1 116 116 ALA N N 15 122.8020 0.4 . 1 . . . . 116 ALA N . 19419 1 1429 . 1 1 117 117 ALA H H 1 7.6140 0.03 . 1 . . . . 117 ALA HN . 19419 1 1430 . 1 1 117 117 ALA HA H 1 4.2510 0.03 . 1 . . . . 117 ALA HA . 19419 1 1431 . 1 1 117 117 ALA HB1 H 1 1.6770 0.03 . 1 . . . . 117 ALA HB1 . 19419 1 1432 . 1 1 117 117 ALA HB2 H 1 1.6770 0.03 . 1 . . . . 117 ALA HB1 . 19419 1 1433 . 1 1 117 117 ALA HB3 H 1 1.6770 0.03 . 1 . . . . 117 ALA HB1 . 19419 1 1434 . 1 1 117 117 ALA C C 13 177.5960 0.4 . 1 . . . . 117 ALA C . 19419 1 1435 . 1 1 117 117 ALA CA C 13 54.3540 0.4 . 1 . . . . 117 ALA CA . 19419 1 1436 . 1 1 117 117 ALA CB C 13 18.9280 0.4 . 1 . . . . 117 ALA CB . 19419 1 1437 . 1 1 117 117 ALA N N 15 118.6940 0.4 . 1 . . . . 117 ALA N . 19419 1 1438 . 1 1 118 118 LYS H H 1 7.2560 0.03 . 1 . . . . 118 LYS HN . 19419 1 1439 . 1 1 118 118 LYS HA H 1 3.4390 0.03 . 1 . . . . 118 LYS HA . 19419 1 1440 . 1 1 118 118 LYS HB2 H 1 1.6870 0.03 . 2 . . . . 118 LYS HB1 . 19419 1 1441 . 1 1 118 118 LYS HB3 H 1 1.6870 0.03 . 2 . . . . 118 LYS HB2 . 19419 1 1442 . 1 1 118 118 LYS HG2 H 1 1.5080 0.03 . 2 . . . . 118 LYS HG1 . 19419 1 1443 . 1 1 118 118 LYS HG3 H 1 1.0930 0.03 . 2 . . . . 118 LYS HG2 . 19419 1 1444 . 1 1 118 118 LYS HD2 H 1 1.6520 0.03 . 2 . . . . 118 LYS HD1 . 19419 1 1445 . 1 1 118 118 LYS HD3 H 1 1.6100 0.03 . 2 . . . . 118 LYS HD2 . 19419 1 1446 . 1 1 118 118 LYS HE2 H 1 2.9710 0.03 . 2 . . . . 118 LYS HE1 . 19419 1 1447 . 1 1 118 118 LYS HE3 H 1 2.9450 0.03 . 2 . . . . 118 LYS HE2 . 19419 1 1448 . 1 1 118 118 LYS C C 13 178.7950 0.4 . 1 . . . . 118 LYS C . 19419 1 1449 . 1 1 118 118 LYS CA C 13 58.9030 0.4 . 1 . . . . 118 LYS CA . 19419 1 1450 . 1 1 118 118 LYS CB C 13 32.0410 0.4 . 1 . . . . 118 LYS CB . 19419 1 1451 . 1 1 118 118 LYS CG C 13 26.2660 0.4 . 1 . . . . 118 LYS CG . 19419 1 1452 . 1 1 118 118 LYS CD C 13 29.4830 0.4 . 1 . . . . 118 LYS CD . 19419 1 1453 . 1 1 118 118 LYS CE C 13 42.2880 0.4 . 1 . . . . 118 LYS CE . 19419 1 1454 . 1 1 118 118 LYS N N 15 112.8600 0.4 . 1 . . . . 118 LYS N . 19419 1 1455 . 1 1 119 119 LYS H H 1 7.7090 0.03 . 1 . . . . 119 LYS HN . 19419 1 1456 . 1 1 119 119 LYS HA H 1 3.9350 0.03 . 1 . . . . 119 LYS HA . 19419 1 1457 . 1 1 119 119 LYS HB2 H 1 1.6610 0.03 . 2 . . . . 119 LYS HB1 . 19419 1 1458 . 1 1 119 119 LYS HB3 H 1 1.5470 0.03 . 2 . . . . 119 LYS HB2 . 19419 1 1459 . 1 1 119 119 LYS HG2 H 1 1.1900 0.03 . 2 . . . . 119 LYS HG1 . 19419 1 1460 . 1 1 119 119 LYS HG3 H 1 0.9540 0.03 . 2 . . . . 119 LYS HG2 . 19419 1 1461 . 1 1 119 119 LYS HD2 H 1 1.4840 0.03 . 2 . . . . 119 LYS HD1 . 19419 1 1462 . 1 1 119 119 LYS HD3 H 1 1.4840 0.03 . 2 . . . . 119 LYS HD2 . 19419 1 1463 . 1 1 119 119 LYS HE2 H 1 2.7840 0.03 . 2 . . . . 119 LYS HE1 . 19419 1 1464 . 1 1 119 119 LYS HE3 H 1 2.7830 0.03 . 2 . . . . 119 LYS HE2 . 19419 1 1465 . 1 1 119 119 LYS C C 13 177.6200 0.4 . 1 . . . . 119 LYS C . 19419 1 1466 . 1 1 119 119 LYS CA C 13 58.0860 0.4 . 1 . . . . 119 LYS CA . 19419 1 1467 . 1 1 119 119 LYS CB C 13 31.3520 0.4 . 1 . . . . 119 LYS CB . 19419 1 1468 . 1 1 119 119 LYS CG C 13 23.9660 0.4 . 1 . . . . 119 LYS CG . 19419 1 1469 . 1 1 119 119 LYS CD C 13 28.9650 0.4 . 1 . . . . 119 LYS CD . 19419 1 1470 . 1 1 119 119 LYS CE C 13 41.4700 0.4 . 1 . . . . 119 LYS CE . 19419 1 1471 . 1 1 119 119 LYS N N 15 118.1840 0.4 . 1 . . . . 119 LYS N . 19419 1 1472 . 1 1 120 120 TYR H H 1 7.3200 0.03 . 1 . . . . 120 TYR HN . 19419 1 1473 . 1 1 120 120 TYR HA H 1 4.2500 0.03 . 1 . . . . 120 TYR HA . 19419 1 1474 . 1 1 120 120 TYR HB2 H 1 3.1350 0.03 . 2 . . . . 120 TYR HB1 . 19419 1 1475 . 1 1 120 120 TYR HB3 H 1 2.6830 0.03 . 2 . . . . 120 TYR HB2 . 19419 1 1476 . 1 1 120 120 TYR HD1 H 1 7.4520 0.03 . 3 . . . . 120 TYR HD1 . 19419 1 1477 . 1 1 120 120 TYR HD2 H 1 7.4520 0.03 . 3 . . . . 120 TYR HD2 . 19419 1 1478 . 1 1 120 120 TYR HE1 H 1 6.7740 0.03 . 3 . . . . 120 TYR HE1 . 19419 1 1479 . 1 1 120 120 TYR HE2 H 1 6.7860 0.03 . 3 . . . . 120 TYR HE2 . 19419 1 1480 . 1 1 120 120 TYR C C 13 175.2130 0.4 . 1 . . . . 120 TYR C . 19419 1 1481 . 1 1 120 120 TYR CA C 13 59.8600 0.4 . 1 . . . . 120 TYR CA . 19419 1 1482 . 1 1 120 120 TYR CB C 13 37.5310 0.4 . 1 . . . . 120 TYR CB . 19419 1 1483 . 1 1 120 120 TYR CD1 C 13 133.0910 0.4 . 3 . . . . 120 TYR CD1 . 19419 1 1484 . 1 1 120 120 TYR CD2 C 13 133.0910 0.4 . 3 . . . . 120 TYR CD2 . 19419 1 1485 . 1 1 120 120 TYR CE1 C 13 118.1740 0.4 . 3 . . . . 120 TYR CE1 . 19419 1 1486 . 1 1 120 120 TYR CE2 C 13 118.1740 0.4 . 3 . . . . 120 TYR CE2 . 19419 1 1487 . 1 1 120 120 TYR N N 15 115.9060 0.4 . 1 . . . . 120 TYR N . 19419 1 1488 . 1 1 121 121 LEU H H 1 7.1530 0.03 . 1 . . . . 121 LEU HN . 19419 1 1489 . 1 1 121 121 LEU HA H 1 4.1330 0.03 . 1 . . . . 121 LEU HA . 19419 1 1490 . 1 1 121 121 LEU HB2 H 1 1.5670 0.03 . 2 . . . . 121 LEU HB1 . 19419 1 1491 . 1 1 121 121 LEU HB3 H 1 1.3950 0.03 . 2 . . . . 121 LEU HB2 . 19419 1 1492 . 1 1 121 121 LEU HG H 1 1.1820 0.03 . 1 . . . . 121 LEU HG . 19419 1 1493 . 1 1 121 121 LEU HD11 H 1 0.0620 0.03 . 2 . . . . 121 LEU HD11 . 19419 1 1494 . 1 1 121 121 LEU HD12 H 1 0.0620 0.03 . 2 . . . . 121 LEU HD11 . 19419 1 1495 . 1 1 121 121 LEU HD13 H 1 0.0620 0.03 . 2 . . . . 121 LEU HD11 . 19419 1 1496 . 1 1 121 121 LEU HD21 H 1 0.4480 0.03 . 2 . . . . 121 LEU HD21 . 19419 1 1497 . 1 1 121 121 LEU HD22 H 1 0.4480 0.03 . 2 . . . . 121 LEU HD21 . 19419 1 1498 . 1 1 121 121 LEU HD23 H 1 0.4480 0.03 . 2 . . . . 121 LEU HD21 . 19419 1 1499 . 1 1 121 121 LEU C C 13 175.9060 0.4 . 1 . . . . 121 LEU C . 19419 1 1500 . 1 1 121 121 LEU CA C 13 54.5000 0.4 . 1 . . . . 121 LEU CA . 19419 1 1501 . 1 1 121 121 LEU CB C 13 41.3980 0.4 . 1 . . . . 121 LEU CB . 19419 1 1502 . 1 1 121 121 LEU CG C 13 26.7670 0.4 . 1 . . . . 121 LEU CG . 19419 1 1503 . 1 1 121 121 LEU CD1 C 13 24.7960 0.4 . 2 . . . . 121 LEU CD1 . 19419 1 1504 . 1 1 121 121 LEU CD2 C 13 22.9030 0.4 . 2 . . . . 121 LEU CD2 . 19419 1 1505 . 1 1 121 121 LEU N N 15 117.1240 0.4 . 1 . . . . 121 LEU N . 19419 1 1506 . 1 1 122 122 VAL H H 1 6.7890 0.03 . 1 . . . . 122 VAL HN . 19419 1 1507 . 1 1 122 122 VAL HA H 1 3.8420 0.03 . 1 . . . . 122 VAL HA . 19419 1 1508 . 1 1 122 122 VAL HB H 1 2.0510 0.03 . 1 . . . . 122 VAL HB . 19419 1 1509 . 1 1 122 122 VAL HG11 H 1 0.8210 0.03 . 2 . . . . 122 VAL HG11 . 19419 1 1510 . 1 1 122 122 VAL HG12 H 1 0.8210 0.03 . 2 . . . . 122 VAL HG11 . 19419 1 1511 . 1 1 122 122 VAL HG13 H 1 0.8210 0.03 . 2 . . . . 122 VAL HG11 . 19419 1 1512 . 1 1 122 122 VAL HG21 H 1 0.8200 0.03 . 2 . . . . 122 VAL HG21 . 19419 1 1513 . 1 1 122 122 VAL HG22 H 1 0.8200 0.03 . 2 . . . . 122 VAL HG21 . 19419 1 1514 . 1 1 122 122 VAL HG23 H 1 0.8200 0.03 . 2 . . . . 122 VAL HG21 . 19419 1 1515 . 1 1 122 122 VAL C C 13 180.8200 0.4 . 1 . . . . 122 VAL C . 19419 1 1516 . 1 1 122 122 VAL CA C 13 63.6580 0.4 . 1 . . . . 122 VAL CA . 19419 1 1517 . 1 1 122 122 VAL CB C 13 32.9550 0.4 . 1 . . . . 122 VAL CB . 19419 1 1518 . 1 1 122 122 VAL CG1 C 13 21.5550 0.4 . 2 . . . . 122 VAL CG1 . 19419 1 1519 . 1 1 122 122 VAL CG2 C 13 19.8700 0.4 . 2 . . . . 122 VAL CG2 . 19419 1 1520 . 1 1 122 122 VAL N N 15 120.8380 0.4 . 1 . . . . 122 VAL N . 19419 1 stop_ save_