data_10080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10080 _Entry.Title ; Solution structure of mouse putative 42-9-9 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-23 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 10080 2 S. Koshiba . . . 10080 3 M. Inoue . . . 10080 4 T. Kigawa . . . 10080 5 S. Yokoyama . . . 10080 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 586 10080 '15N chemical shifts' 132 10080 '1H chemical shifts' 868 10080 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2007-01-23 original author . 10080 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V9W 'BMRB Entry Tracking System' 10080 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of mouse putative 42-9-9 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 10080 1 2 S. Koshiba . . . 10080 1 3 M. Inoue . . . 10080 1 4 T. Kigawa . . . 10080 1 5 S. Yokoyama . . . 10080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10080 _Assembly.ID 1 _Assembly.Name 'putative 42-9-9 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10080 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'putative 42-9-9 protein' 1 $entity_1 . . yes native no no . . . 10080 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1V9W . . . . . . 10080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'putative 42-9-9 protein' _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 ; GSEGAATMATFEEVSVLGFE EFDKAVKEHESKTIFAYFSG SKDTEGKSWCPDCVEAEPVI REGLKHVTEDCVFIYCQVGD KPYWKDPNNDFRQKLKITAV PTLLKYGTPQKLVESECCQS SLVEMIFSED ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1V9W . "Solution Structure Of Mouse Putative 42-9-9 Protein" . . . . . 100.00 130 100.00 100.00 1.34e-89 . . . . 10080 1 2 no DBJ BAB23225 . "unnamed protein product [Mus musculus]" . . . . . 94.62 123 100.00 100.00 2.38e-84 . . . . 10080 1 3 no DBJ BAB25126 . "unnamed protein product [Mus musculus]" . . . . . 94.62 123 99.19 99.19 1.78e-83 . . . . 10080 1 4 no DBJ BAB28648 . "unnamed protein product [Mus musculus]" . . . . . 94.62 123 99.19 99.19 1.78e-83 . . . . 10080 1 5 no DBJ BAC36336 . "unnamed protein product [Mus musculus]" . . . . . 94.62 123 99.19 99.19 1.78e-83 . . . . 10080 1 6 no DBJ BAE41434 . "unnamed protein product [Mus musculus]" . . . . . 94.62 123 97.56 98.37 9.98e-82 . . . . 10080 1 7 no EMBL CAC51438 . "putative 42-9-9 protein [Mus musculus]" . . . . . 94.62 123 98.37 99.19 4.85e-83 . . . . 10080 1 8 no GB AAH30344 . "Thioredoxin domain containing 17 [Mus musculus]" . . . . . 94.62 123 99.19 99.19 1.78e-83 . . . . 10080 1 9 no GB EDL12664 . "thioredoxin-like 5, isoform CRA_a [Mus musculus]" . . . . . 57.69 75 98.67 98.67 5.31e-45 . . . . 10080 1 10 no GB EDL12665 . "thioredoxin-like 5, isoform CRA_b [Mus musculus]" . . . . . 94.62 123 99.19 99.19 1.78e-83 . . . . 10080 1 11 no REF NP_080835 . "thioredoxin domain-containing protein 17 [Mus musculus]" . . . . . 94.62 123 99.19 99.19 1.78e-83 . . . . 10080 1 12 no SP Q9CQM5 . "RecName: Full=Thioredoxin domain-containing protein 17; AltName: Full=14 kDa thioredoxin-related protein; Short=TRP14; AltName:" . . . . . 94.62 123 99.19 99.19 1.78e-83 . . . . 10080 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'putative 42-9-9 protein' . 10080 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10080 1 2 . SER . 10080 1 3 . GLU . 10080 1 4 . GLY . 10080 1 5 . ALA . 10080 1 6 . ALA . 10080 1 7 . THR . 10080 1 8 . MET . 10080 1 9 . ALA . 10080 1 10 . THR . 10080 1 11 . PHE . 10080 1 12 . GLU . 10080 1 13 . GLU . 10080 1 14 . VAL . 10080 1 15 . SER . 10080 1 16 . VAL . 10080 1 17 . LEU . 10080 1 18 . GLY . 10080 1 19 . PHE . 10080 1 20 . GLU . 10080 1 21 . GLU . 10080 1 22 . PHE . 10080 1 23 . ASP . 10080 1 24 . LYS . 10080 1 25 . ALA . 10080 1 26 . VAL . 10080 1 27 . LYS . 10080 1 28 . GLU . 10080 1 29 . HIS . 10080 1 30 . GLU . 10080 1 31 . SER . 10080 1 32 . LYS . 10080 1 33 . THR . 10080 1 34 . ILE . 10080 1 35 . PHE . 10080 1 36 . ALA . 10080 1 37 . TYR . 10080 1 38 . PHE . 10080 1 39 . SER . 10080 1 40 . GLY . 10080 1 41 . SER . 10080 1 42 . LYS . 10080 1 43 . ASP . 10080 1 44 . THR . 10080 1 45 . GLU . 10080 1 46 . GLY . 10080 1 47 . LYS . 10080 1 48 . SER . 10080 1 49 . TRP . 10080 1 50 . CYS . 10080 1 51 . PRO . 10080 1 52 . ASP . 10080 1 53 . CYS . 10080 1 54 . VAL . 10080 1 55 . GLU . 10080 1 56 . ALA . 10080 1 57 . GLU . 10080 1 58 . PRO . 10080 1 59 . VAL . 10080 1 60 . ILE . 10080 1 61 . ARG . 10080 1 62 . GLU . 10080 1 63 . GLY . 10080 1 64 . LEU . 10080 1 65 . LYS . 10080 1 66 . HIS . 10080 1 67 . VAL . 10080 1 68 . THR . 10080 1 69 . GLU . 10080 1 70 . ASP . 10080 1 71 . CYS . 10080 1 72 . VAL . 10080 1 73 . PHE . 10080 1 74 . ILE . 10080 1 75 . TYR . 10080 1 76 . CYS . 10080 1 77 . GLN . 10080 1 78 . VAL . 10080 1 79 . GLY . 10080 1 80 . ASP . 10080 1 81 . LYS . 10080 1 82 . PRO . 10080 1 83 . TYR . 10080 1 84 . TRP . 10080 1 85 . LYS . 10080 1 86 . ASP . 10080 1 87 . PRO . 10080 1 88 . ASN . 10080 1 89 . ASN . 10080 1 90 . ASP . 10080 1 91 . PHE . 10080 1 92 . ARG . 10080 1 93 . GLN . 10080 1 94 . LYS . 10080 1 95 . LEU . 10080 1 96 . LYS . 10080 1 97 . ILE . 10080 1 98 . THR . 10080 1 99 . ALA . 10080 1 100 . VAL . 10080 1 101 . PRO . 10080 1 102 . THR . 10080 1 103 . LEU . 10080 1 104 . LEU . 10080 1 105 . LYS . 10080 1 106 . TYR . 10080 1 107 . GLY . 10080 1 108 . THR . 10080 1 109 . PRO . 10080 1 110 . GLN . 10080 1 111 . LYS . 10080 1 112 . LEU . 10080 1 113 . VAL . 10080 1 114 . GLU . 10080 1 115 . SER . 10080 1 116 . GLU . 10080 1 117 . CYS . 10080 1 118 . CYS . 10080 1 119 . GLN . 10080 1 120 . SER . 10080 1 121 . SER . 10080 1 122 . LEU . 10080 1 123 . VAL . 10080 1 124 . GLU . 10080 1 125 . MET . 10080 1 126 . ILE . 10080 1 127 . PHE . 10080 1 128 . SER . 10080 1 129 . GLU . 10080 1 130 . ASP . 10080 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10080 1 . SER 2 2 10080 1 . GLU 3 3 10080 1 . GLY 4 4 10080 1 . ALA 5 5 10080 1 . ALA 6 6 10080 1 . THR 7 7 10080 1 . MET 8 8 10080 1 . ALA 9 9 10080 1 . THR 10 10 10080 1 . PHE 11 11 10080 1 . GLU 12 12 10080 1 . GLU 13 13 10080 1 . VAL 14 14 10080 1 . SER 15 15 10080 1 . VAL 16 16 10080 1 . LEU 17 17 10080 1 . GLY 18 18 10080 1 . PHE 19 19 10080 1 . GLU 20 20 10080 1 . GLU 21 21 10080 1 . PHE 22 22 10080 1 . ASP 23 23 10080 1 . LYS 24 24 10080 1 . ALA 25 25 10080 1 . VAL 26 26 10080 1 . LYS 27 27 10080 1 . GLU 28 28 10080 1 . HIS 29 29 10080 1 . GLU 30 30 10080 1 . SER 31 31 10080 1 . LYS 32 32 10080 1 . THR 33 33 10080 1 . ILE 34 34 10080 1 . PHE 35 35 10080 1 . ALA 36 36 10080 1 . TYR 37 37 10080 1 . PHE 38 38 10080 1 . SER 39 39 10080 1 . GLY 40 40 10080 1 . SER 41 41 10080 1 . LYS 42 42 10080 1 . ASP 43 43 10080 1 . THR 44 44 10080 1 . GLU 45 45 10080 1 . GLY 46 46 10080 1 . LYS 47 47 10080 1 . SER 48 48 10080 1 . TRP 49 49 10080 1 . CYS 50 50 10080 1 . PRO 51 51 10080 1 . ASP 52 52 10080 1 . CYS 53 53 10080 1 . VAL 54 54 10080 1 . GLU 55 55 10080 1 . ALA 56 56 10080 1 . GLU 57 57 10080 1 . PRO 58 58 10080 1 . VAL 59 59 10080 1 . ILE 60 60 10080 1 . ARG 61 61 10080 1 . GLU 62 62 10080 1 . GLY 63 63 10080 1 . LEU 64 64 10080 1 . LYS 65 65 10080 1 . HIS 66 66 10080 1 . VAL 67 67 10080 1 . THR 68 68 10080 1 . GLU 69 69 10080 1 . ASP 70 70 10080 1 . CYS 71 71 10080 1 . VAL 72 72 10080 1 . PHE 73 73 10080 1 . ILE 74 74 10080 1 . TYR 75 75 10080 1 . CYS 76 76 10080 1 . GLN 77 77 10080 1 . VAL 78 78 10080 1 . GLY 79 79 10080 1 . ASP 80 80 10080 1 . LYS 81 81 10080 1 . PRO 82 82 10080 1 . TYR 83 83 10080 1 . TRP 84 84 10080 1 . LYS 85 85 10080 1 . ASP 86 86 10080 1 . PRO 87 87 10080 1 . ASN 88 88 10080 1 . ASN 89 89 10080 1 . ASP 90 90 10080 1 . PHE 91 91 10080 1 . ARG 92 92 10080 1 . GLN 93 93 10080 1 . LYS 94 94 10080 1 . LEU 95 95 10080 1 . LYS 96 96 10080 1 . ILE 97 97 10080 1 . THR 98 98 10080 1 . ALA 99 99 10080 1 . VAL 100 100 10080 1 . PRO 101 101 10080 1 . THR 102 102 10080 1 . LEU 103 103 10080 1 . LEU 104 104 10080 1 . LYS 105 105 10080 1 . TYR 106 106 10080 1 . GLY 107 107 10080 1 . THR 108 108 10080 1 . PRO 109 109 10080 1 . GLN 110 110 10080 1 . LYS 111 111 10080 1 . LEU 112 112 10080 1 . VAL 113 113 10080 1 . GLU 114 114 10080 1 . SER 115 115 10080 1 . GLU 116 116 10080 1 . CYS 117 117 10080 1 . CYS 118 118 10080 1 . GLN 119 119 10080 1 . SER 120 120 10080 1 . SER 121 121 10080 1 . LEU 122 122 10080 1 . VAL 123 123 10080 1 . GLU 124 124 10080 1 . MET 125 125 10080 1 . ILE 126 126 10080 1 . PHE 127 127 10080 1 . SER 128 128 10080 1 . GLU 129 129 10080 1 . ASP 130 130 10080 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 10080 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10080 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 10080 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P020128-01 . . . . . . 10080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10080 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'putative 42-9-9 protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 10080 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10080 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10080 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10080 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10080 1 6 H2O . . . . . . solvent 90 . . % . . . . 10080 1 7 D2O . . . . . . solvent 10 . . % . . . . 10080 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10080 _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' 120 0.1 mM 10080 1 pH 6.0 0.05 pH 10080 1 pressure 1 0.001 atm 10080 1 temperature 298 0.1 K 10080 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10080 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10080 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10080 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10080 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10080 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10080 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10080 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10080 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10080 _Software.ID 4 _Software.Name Kujira _Software.Version 0.853 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10080 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10080 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10080 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10080 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10080 5 'structure solution' 10080 5 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 10080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10080 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10080 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10080 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10080 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10080 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10080 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10080 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10080 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10080 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10080 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10080 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10080 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 2 2 SER HA H 1 4.526 0.030 . 1 . . . . 2 SER HA . 10080 1 2 . 1 1 2 2 SER HB2 H 1 3.874 0.030 . 2 . . . . 2 SER HB2 . 10080 1 3 . 1 1 2 2 SER C C 13 174.649 0.300 . 1 . . . . 2 SER C . 10080 1 4 . 1 1 2 2 SER CA C 13 58.499 0.300 . 1 . . . . 2 SER CA . 10080 1 5 . 1 1 2 2 SER CB C 13 63.789 0.300 . 1 . . . . 2 SER CB . 10080 1 6 . 1 1 3 3 GLU H H 1 8.793 0.030 . 1 . . . . 3 GLU H . 10080 1 7 . 1 1 3 3 GLU HA H 1 4.301 0.030 . 1 . . . . 3 GLU HA . 10080 1 8 . 1 1 3 3 GLU HB2 H 1 2.006 0.030 . 2 . . . . 3 GLU HB2 . 10080 1 9 . 1 1 3 3 GLU HG2 H 1 2.294 0.030 . 2 . . . . 3 GLU HG2 . 10080 1 10 . 1 1 3 3 GLU C C 13 177.041 0.300 . 1 . . . . 3 GLU C . 10080 1 11 . 1 1 3 3 GLU CA C 13 57.144 0.300 . 1 . . . . 3 GLU CA . 10080 1 12 . 1 1 3 3 GLU CB C 13 29.702 0.300 . 1 . . . . 3 GLU CB . 10080 1 13 . 1 1 3 3 GLU CG C 13 36.052 0.300 . 1 . . . . 3 GLU CG . 10080 1 14 . 1 1 3 3 GLU N N 15 123.122 0.300 . 1 . . . . 3 GLU N . 10080 1 15 . 1 1 4 4 GLY H H 1 8.441 0.030 . 1 . . . . 4 GLY H . 10080 1 16 . 1 1 4 4 GLY HA2 H 1 3.961 0.030 . 1 . . . . 4 GLY HA2 . 10080 1 17 . 1 1 4 4 GLY HA3 H 1 3.961 0.030 . 1 . . . . 4 GLY HA3 . 10080 1 18 . 1 1 4 4 GLY C C 13 173.836 0.300 . 1 . . . . 4 GLY C . 10080 1 19 . 1 1 4 4 GLY CA C 13 45.330 0.300 . 1 . . . . 4 GLY CA . 10080 1 20 . 1 1 4 4 GLY N N 15 110.189 0.300 . 1 . . . . 4 GLY N . 10080 1 21 . 1 1 5 5 ALA H H 1 8.112 0.030 . 1 . . . . 5 ALA H . 10080 1 22 . 1 1 5 5 ALA HA H 1 4.344 0.030 . 1 . . . . 5 ALA HA . 10080 1 23 . 1 1 5 5 ALA HB1 H 1 1.412 0.030 . 1 . . . . 5 ALA HB . 10080 1 24 . 1 1 5 5 ALA HB2 H 1 1.412 0.030 . 1 . . . . 5 ALA HB . 10080 1 25 . 1 1 5 5 ALA HB3 H 1 1.412 0.030 . 1 . . . . 5 ALA HB . 10080 1 26 . 1 1 5 5 ALA C C 13 177.526 0.300 . 1 . . . . 5 ALA C . 10080 1 27 . 1 1 5 5 ALA CA C 13 52.361 0.300 . 1 . . . . 5 ALA CA . 10080 1 28 . 1 1 5 5 ALA CB C 13 19.380 0.300 . 1 . . . . 5 ALA CB . 10080 1 29 . 1 1 5 5 ALA N N 15 123.907 0.300 . 1 . . . . 5 ALA N . 10080 1 30 . 1 1 6 6 ALA H H 1 8.339 0.030 . 1 . . . . 6 ALA H . 10080 1 31 . 1 1 6 6 ALA HA H 1 4.384 0.030 . 1 . . . . 6 ALA HA . 10080 1 32 . 1 1 6 6 ALA HB1 H 1 1.418 0.030 . 1 . . . . 6 ALA HB . 10080 1 33 . 1 1 6 6 ALA HB2 H 1 1.418 0.030 . 1 . . . . 6 ALA HB . 10080 1 34 . 1 1 6 6 ALA HB3 H 1 1.418 0.030 . 1 . . . . 6 ALA HB . 10080 1 35 . 1 1 6 6 ALA C C 13 177.927 0.300 . 1 . . . . 6 ALA C . 10080 1 36 . 1 1 6 6 ALA CA C 13 52.480 0.300 . 1 . . . . 6 ALA CA . 10080 1 37 . 1 1 6 6 ALA CB C 13 19.338 0.300 . 1 . . . . 6 ALA CB . 10080 1 38 . 1 1 6 6 ALA N N 15 123.570 0.300 . 1 . . . . 6 ALA N . 10080 1 39 . 1 1 7 7 THR H H 1 8.117 0.030 . 1 . . . . 7 THR H . 10080 1 40 . 1 1 7 7 THR HA H 1 4.336 0.030 . 1 . . . . 7 THR HA . 10080 1 41 . 1 1 7 7 THR HB H 1 4.220 0.030 . 1 . . . . 7 THR HB . 10080 1 42 . 1 1 7 7 THR HG21 H 1 1.220 0.030 . 1 . . . . 7 THR HG2 . 10080 1 43 . 1 1 7 7 THR HG22 H 1 1.220 0.030 . 1 . . . . 7 THR HG2 . 10080 1 44 . 1 1 7 7 THR HG23 H 1 1.220 0.030 . 1 . . . . 7 THR HG2 . 10080 1 45 . 1 1 7 7 THR C C 13 174.309 0.300 . 1 . . . . 7 THR C . 10080 1 46 . 1 1 7 7 THR CA C 13 61.705 0.300 . 1 . . . . 7 THR CA . 10080 1 47 . 1 1 7 7 THR CB C 13 69.909 0.300 . 1 . . . . 7 THR CB . 10080 1 48 . 1 1 7 7 THR CG2 C 13 21.681 0.300 . 1 . . . . 7 THR CG2 . 10080 1 49 . 1 1 7 7 THR N N 15 113.660 0.300 . 1 . . . . 7 THR N . 10080 1 50 . 1 1 8 8 MET H H 1 8.362 0.030 . 1 . . . . 8 MET H . 10080 1 51 . 1 1 8 8 MET HA H 1 4.518 0.030 . 1 . . . . 8 MET HA . 10080 1 52 . 1 1 8 8 MET HB2 H 1 2.115 0.030 . 2 . . . . 8 MET HB2 . 10080 1 53 . 1 1 8 8 MET HB3 H 1 2.005 0.030 . 2 . . . . 8 MET HB3 . 10080 1 54 . 1 1 8 8 MET HG2 H 1 2.611 0.030 . 2 . . . . 8 MET HG2 . 10080 1 55 . 1 1 8 8 MET HG3 H 1 2.547 0.030 . 2 . . . . 8 MET HG3 . 10080 1 56 . 1 1 8 8 MET C C 13 175.390 0.300 . 1 . . . . 8 MET C . 10080 1 57 . 1 1 8 8 MET CA C 13 55.261 0.300 . 1 . . . . 8 MET CA . 10080 1 58 . 1 1 8 8 MET CB C 13 33.261 0.300 . 1 . . . . 8 MET CB . 10080 1 59 . 1 1 8 8 MET CG C 13 31.933 0.300 . 1 . . . . 8 MET CG . 10080 1 60 . 1 1 8 8 MET N N 15 122.927 0.300 . 1 . . . . 8 MET N . 10080 1 61 . 1 1 9 9 ALA H H 1 8.260 0.030 . 1 . . . . 9 ALA H . 10080 1 62 . 1 1 9 9 ALA HA H 1 4.444 0.030 . 1 . . . . 9 ALA HA . 10080 1 63 . 1 1 9 9 ALA HB1 H 1 1.203 0.030 . 1 . . . . 9 ALA HB . 10080 1 64 . 1 1 9 9 ALA HB2 H 1 1.203 0.030 . 1 . . . . 9 ALA HB . 10080 1 65 . 1 1 9 9 ALA HB3 H 1 1.203 0.030 . 1 . . . . 9 ALA HB . 10080 1 66 . 1 1 9 9 ALA C C 13 177.004 0.300 . 1 . . . . 9 ALA C . 10080 1 67 . 1 1 9 9 ALA CA C 13 52.075 0.300 . 1 . . . . 9 ALA CA . 10080 1 68 . 1 1 9 9 ALA CB C 13 19.726 0.300 . 1 . . . . 9 ALA CB . 10080 1 69 . 1 1 9 9 ALA N N 15 125.801 0.300 . 1 . . . . 9 ALA N . 10080 1 70 . 1 1 10 10 THR H H 1 8.477 0.030 . 1 . . . . 10 THR H . 10080 1 71 . 1 1 10 10 THR HA H 1 4.472 0.030 . 1 . . . . 10 THR HA . 10080 1 72 . 1 1 10 10 THR HB H 1 4.123 0.030 . 1 . . . . 10 THR HB . 10080 1 73 . 1 1 10 10 THR HG21 H 1 1.113 0.030 . 1 . . . . 10 THR HG2 . 10080 1 74 . 1 1 10 10 THR HG22 H 1 1.113 0.030 . 1 . . . . 10 THR HG2 . 10080 1 75 . 1 1 10 10 THR HG23 H 1 1.113 0.030 . 1 . . . . 10 THR HG2 . 10080 1 76 . 1 1 10 10 THR C C 13 172.828 0.300 . 1 . . . . 10 THR C . 10080 1 77 . 1 1 10 10 THR CA C 13 60.946 0.300 . 1 . . . . 10 THR CA . 10080 1 78 . 1 1 10 10 THR CB C 13 70.456 0.300 . 1 . . . . 10 THR CB . 10080 1 79 . 1 1 10 10 THR CG2 C 13 20.902 0.300 . 1 . . . . 10 THR CG2 . 10080 1 80 . 1 1 10 10 THR N N 15 113.706 0.300 . 1 . . . . 10 THR N . 10080 1 81 . 1 1 11 11 PHE H H 1 7.540 0.030 . 1 . . . . 11 PHE H . 10080 1 82 . 1 1 11 11 PHE HA H 1 5.526 0.030 . 1 . . . . 11 PHE HA . 10080 1 83 . 1 1 11 11 PHE HB2 H 1 2.906 0.030 . 1 . . . . 11 PHE HB2 . 10080 1 84 . 1 1 11 11 PHE HB3 H 1 2.906 0.030 . 1 . . . . 11 PHE HB3 . 10080 1 85 . 1 1 11 11 PHE HD1 H 1 6.945 0.030 . 1 . . . . 11 PHE HD1 . 10080 1 86 . 1 1 11 11 PHE HD2 H 1 6.945 0.030 . 1 . . . . 11 PHE HD2 . 10080 1 87 . 1 1 11 11 PHE HE1 H 1 7.228 0.030 . 1 . . . . 11 PHE HE1 . 10080 1 88 . 1 1 11 11 PHE HE2 H 1 7.228 0.030 . 1 . . . . 11 PHE HE2 . 10080 1 89 . 1 1 11 11 PHE C C 13 173.945 0.300 . 1 . . . . 11 PHE C . 10080 1 90 . 1 1 11 11 PHE CA C 13 55.028 0.300 . 1 . . . . 11 PHE CA . 10080 1 91 . 1 1 11 11 PHE CB C 13 42.702 0.300 . 1 . . . . 11 PHE CB . 10080 1 92 . 1 1 11 11 PHE CD1 C 13 132.163 0.300 . 1 . . . . 11 PHE CD1 . 10080 1 93 . 1 1 11 11 PHE CD2 C 13 132.163 0.300 . 1 . . . . 11 PHE CD2 . 10080 1 94 . 1 1 11 11 PHE CE1 C 13 131.480 0.300 . 1 . . . . 11 PHE CE1 . 10080 1 95 . 1 1 11 11 PHE CE2 C 13 131.480 0.300 . 1 . . . . 11 PHE CE2 . 10080 1 96 . 1 1 11 11 PHE N N 15 116.977 0.300 . 1 . . . . 11 PHE N . 10080 1 97 . 1 1 12 12 GLU H H 1 8.008 0.030 . 1 . . . . 12 GLU H . 10080 1 98 . 1 1 12 12 GLU HA H 1 4.544 0.030 . 1 . . . . 12 GLU HA . 10080 1 99 . 1 1 12 12 GLU HB2 H 1 1.987 0.030 . 1 . . . . 12 GLU HB2 . 10080 1 100 . 1 1 12 12 GLU HB3 H 1 1.987 0.030 . 1 . . . . 12 GLU HB3 . 10080 1 101 . 1 1 12 12 GLU HG2 H 1 2.326 0.030 . 2 . . . . 12 GLU HG2 . 10080 1 102 . 1 1 12 12 GLU HG3 H 1 2.034 0.030 . 2 . . . . 12 GLU HG3 . 10080 1 103 . 1 1 12 12 GLU C C 13 174.467 0.300 . 1 . . . . 12 GLU C . 10080 1 104 . 1 1 12 12 GLU CA C 13 54.627 0.300 . 1 . . . . 12 GLU CA . 10080 1 105 . 1 1 12 12 GLU CB C 13 32.143 0.300 . 1 . . . . 12 GLU CB . 10080 1 106 . 1 1 12 12 GLU CG C 13 35.748 0.300 . 1 . . . . 12 GLU CG . 10080 1 107 . 1 1 12 12 GLU N N 15 122.800 0.300 . 1 . . . . 12 GLU N . 10080 1 108 . 1 1 13 13 GLU H H 1 8.975 0.030 . 1 . . . . 13 GLU H . 10080 1 109 . 1 1 13 13 GLU HA H 1 5.739 0.030 . 1 . . . . 13 GLU HA . 10080 1 110 . 1 1 13 13 GLU HB2 H 1 2.334 0.030 . 2 . . . . 13 GLU HB2 . 10080 1 111 . 1 1 13 13 GLU HB3 H 1 2.139 0.030 . 2 . . . . 13 GLU HB3 . 10080 1 112 . 1 1 13 13 GLU HG2 H 1 2.459 0.030 . 2 . . . . 13 GLU HG2 . 10080 1 113 . 1 1 13 13 GLU HG3 H 1 2.191 0.030 . 2 . . . . 13 GLU HG3 . 10080 1 114 . 1 1 13 13 GLU C C 13 175.693 0.300 . 1 . . . . 13 GLU C . 10080 1 115 . 1 1 13 13 GLU CA C 13 55.237 0.300 . 1 . . . . 13 GLU CA . 10080 1 116 . 1 1 13 13 GLU CB C 13 31.474 0.300 . 1 . . . . 13 GLU CB . 10080 1 117 . 1 1 13 13 GLU CG C 13 36.313 0.300 . 1 . . . . 13 GLU CG . 10080 1 118 . 1 1 13 13 GLU N N 15 128.177 0.300 . 1 . . . . 13 GLU N . 10080 1 119 . 1 1 14 14 VAL H H 1 9.142 0.030 . 1 . . . . 14 VAL H . 10080 1 120 . 1 1 14 14 VAL HA H 1 4.316 0.030 . 1 . . . . 14 VAL HA . 10080 1 121 . 1 1 14 14 VAL HB H 1 1.736 0.030 . 1 . . . . 14 VAL HB . 10080 1 122 . 1 1 14 14 VAL HG11 H 1 0.840 0.030 . 1 . . . . 14 VAL HG1 . 10080 1 123 . 1 1 14 14 VAL HG12 H 1 0.840 0.030 . 1 . . . . 14 VAL HG1 . 10080 1 124 . 1 1 14 14 VAL HG13 H 1 0.840 0.030 . 1 . . . . 14 VAL HG1 . 10080 1 125 . 1 1 14 14 VAL HG21 H 1 0.571 0.030 . 1 . . . . 14 VAL HG2 . 10080 1 126 . 1 1 14 14 VAL HG22 H 1 0.571 0.030 . 1 . . . . 14 VAL HG2 . 10080 1 127 . 1 1 14 14 VAL HG23 H 1 0.571 0.030 . 1 . . . . 14 VAL HG2 . 10080 1 128 . 1 1 14 14 VAL C C 13 174.054 0.300 . 1 . . . . 14 VAL C . 10080 1 129 . 1 1 14 14 VAL CA C 13 60.839 0.300 . 1 . . . . 14 VAL CA . 10080 1 130 . 1 1 14 14 VAL CB C 13 34.774 0.300 . 1 . . . . 14 VAL CB . 10080 1 131 . 1 1 14 14 VAL CG1 C 13 21.318 0.300 . 2 . . . . 14 VAL CG1 . 10080 1 132 . 1 1 14 14 VAL CG2 C 13 20.694 0.300 . 2 . . . . 14 VAL CG2 . 10080 1 133 . 1 1 14 14 VAL N N 15 128.918 0.300 . 1 . . . . 14 VAL N . 10080 1 134 . 1 1 15 15 SER H H 1 8.865 0.030 . 1 . . . . 15 SER H . 10080 1 135 . 1 1 15 15 SER HA H 1 5.535 0.030 . 1 . . . . 15 SER HA . 10080 1 136 . 1 1 15 15 SER HB2 H 1 3.975 0.030 . 2 . . . . 15 SER HB2 . 10080 1 137 . 1 1 15 15 SER HB3 H 1 3.851 0.030 . 2 . . . . 15 SER HB3 . 10080 1 138 . 1 1 15 15 SER C C 13 174.819 0.300 . 1 . . . . 15 SER C . 10080 1 139 . 1 1 15 15 SER CA C 13 56.986 0.300 . 1 . . . . 15 SER CA . 10080 1 140 . 1 1 15 15 SER CB C 13 63.917 0.300 . 1 . . . . 15 SER CB . 10080 1 141 . 1 1 15 15 SER N N 15 123.155 0.300 . 1 . . . . 15 SER N . 10080 1 142 . 1 1 16 16 VAL H H 1 8.968 0.030 . 1 . . . . 16 VAL H . 10080 1 143 . 1 1 16 16 VAL HA H 1 4.997 0.030 . 1 . . . . 16 VAL HA . 10080 1 144 . 1 1 16 16 VAL HB H 1 2.253 0.030 . 1 . . . . 16 VAL HB . 10080 1 145 . 1 1 16 16 VAL HG11 H 1 0.831 0.030 . 1 . . . . 16 VAL HG1 . 10080 1 146 . 1 1 16 16 VAL HG12 H 1 0.831 0.030 . 1 . . . . 16 VAL HG1 . 10080 1 147 . 1 1 16 16 VAL HG13 H 1 0.831 0.030 . 1 . . . . 16 VAL HG1 . 10080 1 148 . 1 1 16 16 VAL HG21 H 1 0.936 0.030 . 1 . . . . 16 VAL HG2 . 10080 1 149 . 1 1 16 16 VAL HG22 H 1 0.936 0.030 . 1 . . . . 16 VAL HG2 . 10080 1 150 . 1 1 16 16 VAL HG23 H 1 0.936 0.030 . 1 . . . . 16 VAL HG2 . 10080 1 151 . 1 1 16 16 VAL C C 13 174.333 0.300 . 1 . . . . 16 VAL C . 10080 1 152 . 1 1 16 16 VAL CA C 13 58.974 0.300 . 1 . . . . 16 VAL CA . 10080 1 153 . 1 1 16 16 VAL CB C 13 36.251 0.300 . 1 . . . . 16 VAL CB . 10080 1 154 . 1 1 16 16 VAL CG1 C 13 22.609 0.300 . 2 . . . . 16 VAL CG1 . 10080 1 155 . 1 1 16 16 VAL CG2 C 13 19.803 0.300 . 2 . . . . 16 VAL CG2 . 10080 1 156 . 1 1 16 16 VAL N N 15 117.810 0.300 . 1 . . . . 16 VAL N . 10080 1 157 . 1 1 17 17 LEU H H 1 9.019 0.030 . 1 . . . . 17 LEU H . 10080 1 158 . 1 1 17 17 LEU HA H 1 5.160 0.030 . 1 . . . . 17 LEU HA . 10080 1 159 . 1 1 17 17 LEU HB2 H 1 1.744 0.030 . 2 . . . . 17 LEU HB2 . 10080 1 160 . 1 1 17 17 LEU HB3 H 1 1.586 0.030 . 2 . . . . 17 LEU HB3 . 10080 1 161 . 1 1 17 17 LEU HG H 1 1.579 0.030 . 1 . . . . 17 LEU HG . 10080 1 162 . 1 1 17 17 LEU HD11 H 1 0.915 0.030 . 1 . . . . 17 LEU HD1 . 10080 1 163 . 1 1 17 17 LEU HD12 H 1 0.915 0.030 . 1 . . . . 17 LEU HD1 . 10080 1 164 . 1 1 17 17 LEU HD13 H 1 0.915 0.030 . 1 . . . . 17 LEU HD1 . 10080 1 165 . 1 1 17 17 LEU HD21 H 1 0.918 0.030 . 1 . . . . 17 LEU HD2 . 10080 1 166 . 1 1 17 17 LEU HD22 H 1 0.918 0.030 . 1 . . . . 17 LEU HD2 . 10080 1 167 . 1 1 17 17 LEU HD23 H 1 0.918 0.030 . 1 . . . . 17 LEU HD2 . 10080 1 168 . 1 1 17 17 LEU C C 13 176.676 0.300 . 1 . . . . 17 LEU C . 10080 1 169 . 1 1 17 17 LEU CA C 13 54.451 0.300 . 1 . . . . 17 LEU CA . 10080 1 170 . 1 1 17 17 LEU CB C 13 43.625 0.300 . 1 . . . . 17 LEU CB . 10080 1 171 . 1 1 17 17 LEU CG C 13 27.713 0.300 . 1 . . . . 17 LEU CG . 10080 1 172 . 1 1 17 17 LEU CD1 C 13 25.599 0.300 . 2 . . . . 17 LEU CD1 . 10080 1 173 . 1 1 17 17 LEU CD2 C 13 24.697 0.300 . 2 . . . . 17 LEU CD2 . 10080 1 174 . 1 1 17 17 LEU N N 15 127.332 0.300 . 1 . . . . 17 LEU N . 10080 1 175 . 1 1 18 18 GLY H H 1 8.518 0.030 . 1 . . . . 18 GLY H . 10080 1 176 . 1 1 18 18 GLY HA2 H 1 4.535 0.030 . 2 . . . . 18 GLY HA2 . 10080 1 177 . 1 1 18 18 GLY HA3 H 1 4.049 0.030 . 2 . . . . 18 GLY HA3 . 10080 1 178 . 1 1 18 18 GLY C C 13 172.683 0.300 . 1 . . . . 18 GLY C . 10080 1 179 . 1 1 18 18 GLY CA C 13 44.933 0.300 . 1 . . . . 18 GLY CA . 10080 1 180 . 1 1 18 18 GLY N N 15 110.251 0.300 . 1 . . . . 18 GLY N . 10080 1 181 . 1 1 19 19 PHE H H 1 9.150 0.030 . 1 . . . . 19 PHE H . 10080 1 182 . 1 1 19 19 PHE HA H 1 3.745 0.030 . 1 . . . . 19 PHE HA . 10080 1 183 . 1 1 19 19 PHE HB2 H 1 2.926 0.030 . 2 . . . . 19 PHE HB2 . 10080 1 184 . 1 1 19 19 PHE HB3 H 1 2.325 0.030 . 2 . . . . 19 PHE HB3 . 10080 1 185 . 1 1 19 19 PHE HD1 H 1 6.380 0.030 . 1 . . . . 19 PHE HD1 . 10080 1 186 . 1 1 19 19 PHE HD2 H 1 6.380 0.030 . 1 . . . . 19 PHE HD2 . 10080 1 187 . 1 1 19 19 PHE HE1 H 1 7.124 0.030 . 1 . . . . 19 PHE HE1 . 10080 1 188 . 1 1 19 19 PHE HE2 H 1 7.124 0.030 . 1 . . . . 19 PHE HE2 . 10080 1 189 . 1 1 19 19 PHE HZ H 1 7.248 0.030 . 1 . . . . 19 PHE HZ . 10080 1 190 . 1 1 19 19 PHE C C 13 176.227 0.300 . 1 . . . . 19 PHE C . 10080 1 191 . 1 1 19 19 PHE CA C 13 62.934 0.300 . 1 . . . . 19 PHE CA . 10080 1 192 . 1 1 19 19 PHE CB C 13 39.620 0.300 . 1 . . . . 19 PHE CB . 10080 1 193 . 1 1 19 19 PHE CD1 C 13 131.651 0.300 . 1 . . . . 19 PHE CD1 . 10080 1 194 . 1 1 19 19 PHE CD2 C 13 131.651 0.300 . 1 . . . . 19 PHE CD2 . 10080 1 195 . 1 1 19 19 PHE CE1 C 13 130.702 0.300 . 1 . . . . 19 PHE CE1 . 10080 1 196 . 1 1 19 19 PHE CE2 C 13 130.702 0.300 . 1 . . . . 19 PHE CE2 . 10080 1 197 . 1 1 19 19 PHE CZ C 13 129.803 0.300 . 1 . . . . 19 PHE CZ . 10080 1 198 . 1 1 19 19 PHE N N 15 118.937 0.300 . 1 . . . . 19 PHE N . 10080 1 199 . 1 1 20 20 GLU H H 1 8.728 0.030 . 1 . . . . 20 GLU H . 10080 1 200 . 1 1 20 20 GLU HA H 1 3.910 0.030 . 1 . . . . 20 GLU HA . 10080 1 201 . 1 1 20 20 GLU HB2 H 1 2.192 0.030 . 2 . . . . 20 GLU HB2 . 10080 1 202 . 1 1 20 20 GLU HB3 H 1 2.090 0.030 . 2 . . . . 20 GLU HB3 . 10080 1 203 . 1 1 20 20 GLU HG2 H 1 2.498 0.030 . 2 . . . . 20 GLU HG2 . 10080 1 204 . 1 1 20 20 GLU HG3 H 1 2.429 0.030 . 2 . . . . 20 GLU HG3 . 10080 1 205 . 1 1 20 20 GLU C C 13 180.354 0.300 . 1 . . . . 20 GLU C . 10080 1 206 . 1 1 20 20 GLU CA C 13 60.506 0.300 . 1 . . . . 20 GLU CA . 10080 1 207 . 1 1 20 20 GLU CB C 13 28.829 0.300 . 1 . . . . 20 GLU CB . 10080 1 208 . 1 1 20 20 GLU CG C 13 36.951 0.300 . 1 . . . . 20 GLU CG . 10080 1 209 . 1 1 20 20 GLU N N 15 120.251 0.300 . 1 . . . . 20 GLU N . 10080 1 210 . 1 1 21 21 GLU H H 1 8.819 0.030 . 1 . . . . 21 GLU H . 10080 1 211 . 1 1 21 21 GLU HA H 1 3.965 0.030 . 1 . . . . 21 GLU HA . 10080 1 212 . 1 1 21 21 GLU HB2 H 1 2.121 0.030 . 2 . . . . 21 GLU HB2 . 10080 1 213 . 1 1 21 21 GLU HB3 H 1 1.943 0.030 . 2 . . . . 21 GLU HB3 . 10080 1 214 . 1 1 21 21 GLU HG2 H 1 2.697 0.030 . 2 . . . . 21 GLU HG2 . 10080 1 215 . 1 1 21 21 GLU HG3 H 1 2.332 0.030 . 2 . . . . 21 GLU HG3 . 10080 1 216 . 1 1 21 21 GLU C C 13 179.662 0.300 . 1 . . . . 21 GLU C . 10080 1 217 . 1 1 21 21 GLU CA C 13 59.555 0.300 . 1 . . . . 21 GLU CA . 10080 1 218 . 1 1 21 21 GLU CB C 13 30.241 0.300 . 1 . . . . 21 GLU CB . 10080 1 219 . 1 1 21 21 GLU CG C 13 37.452 0.300 . 1 . . . . 21 GLU CG . 10080 1 220 . 1 1 21 21 GLU N N 15 118.312 0.300 . 1 . . . . 21 GLU N . 10080 1 221 . 1 1 22 22 PHE H H 1 7.803 0.030 . 1 . . . . 22 PHE H . 10080 1 222 . 1 1 22 22 PHE HA H 1 3.842 0.030 . 1 . . . . 22 PHE HA . 10080 1 223 . 1 1 22 22 PHE HB2 H 1 3.403 0.030 . 2 . . . . 22 PHE HB2 . 10080 1 224 . 1 1 22 22 PHE HB3 H 1 3.227 0.030 . 2 . . . . 22 PHE HB3 . 10080 1 225 . 1 1 22 22 PHE HD1 H 1 6.865 0.030 . 1 . . . . 22 PHE HD1 . 10080 1 226 . 1 1 22 22 PHE HD2 H 1 6.865 0.030 . 1 . . . . 22 PHE HD2 . 10080 1 227 . 1 1 22 22 PHE HE1 H 1 7.113 0.030 . 1 . . . . 22 PHE HE1 . 10080 1 228 . 1 1 22 22 PHE HE2 H 1 7.113 0.030 . 1 . . . . 22 PHE HE2 . 10080 1 229 . 1 1 22 22 PHE HZ H 1 6.982 0.030 . 1 . . . . 22 PHE HZ . 10080 1 230 . 1 1 22 22 PHE C C 13 174.843 0.300 . 1 . . . . 22 PHE C . 10080 1 231 . 1 1 22 22 PHE CA C 13 63.462 0.300 . 1 . . . . 22 PHE CA . 10080 1 232 . 1 1 22 22 PHE CB C 13 38.993 0.300 . 1 . . . . 22 PHE CB . 10080 1 233 . 1 1 22 22 PHE CD1 C 13 131.557 0.300 . 1 . . . . 22 PHE CD1 . 10080 1 234 . 1 1 22 22 PHE CD2 C 13 131.557 0.300 . 1 . . . . 22 PHE CD2 . 10080 1 235 . 1 1 22 22 PHE CE1 C 13 131.525 0.300 . 1 . . . . 22 PHE CE1 . 10080 1 236 . 1 1 22 22 PHE CE2 C 13 131.525 0.300 . 1 . . . . 22 PHE CE2 . 10080 1 237 . 1 1 22 22 PHE CZ C 13 129.212 0.300 . 1 . . . . 22 PHE CZ . 10080 1 238 . 1 1 22 22 PHE N N 15 121.156 0.300 . 1 . . . . 22 PHE N . 10080 1 239 . 1 1 23 23 ASP H H 1 8.601 0.030 . 1 . . . . 23 ASP H . 10080 1 240 . 1 1 23 23 ASP HA H 1 3.899 0.030 . 1 . . . . 23 ASP HA . 10080 1 241 . 1 1 23 23 ASP HB2 H 1 2.388 0.030 . 2 . . . . 23 ASP HB2 . 10080 1 242 . 1 1 23 23 ASP HB3 H 1 2.038 0.030 . 2 . . . . 23 ASP HB3 . 10080 1 243 . 1 1 23 23 ASP C C 13 178.085 0.300 . 1 . . . . 23 ASP C . 10080 1 244 . 1 1 23 23 ASP CA C 13 57.162 0.300 . 1 . . . . 23 ASP CA . 10080 1 245 . 1 1 23 23 ASP CB C 13 42.093 0.300 . 1 . . . . 23 ASP CB . 10080 1 246 . 1 1 23 23 ASP N N 15 119.346 0.300 . 1 . . . . 23 ASP N . 10080 1 247 . 1 1 24 24 LYS H H 1 7.566 0.030 . 1 . . . . 24 LYS H . 10080 1 248 . 1 1 24 24 LYS HA H 1 3.851 0.030 . 1 . . . . 24 LYS HA . 10080 1 249 . 1 1 24 24 LYS HB2 H 1 1.828 0.030 . 1 . . . . 24 LYS HB2 . 10080 1 250 . 1 1 24 24 LYS HB3 H 1 1.828 0.030 . 1 . . . . 24 LYS HB3 . 10080 1 251 . 1 1 24 24 LYS HG2 H 1 1.532 0.030 . 2 . . . . 24 LYS HG2 . 10080 1 252 . 1 1 24 24 LYS HG3 H 1 1.336 0.030 . 2 . . . . 24 LYS HG3 . 10080 1 253 . 1 1 24 24 LYS HD2 H 1 1.680 0.030 . 1 . . . . 24 LYS HD2 . 10080 1 254 . 1 1 24 24 LYS HD3 H 1 1.680 0.030 . 1 . . . . 24 LYS HD3 . 10080 1 255 . 1 1 24 24 LYS HE2 H 1 2.972 0.030 . 2 . . . . 24 LYS HE2 . 10080 1 256 . 1 1 24 24 LYS C C 13 178.291 0.300 . 1 . . . . 24 LYS C . 10080 1 257 . 1 1 24 24 LYS CA C 13 59.431 0.300 . 1 . . . . 24 LYS CA . 10080 1 258 . 1 1 24 24 LYS CB C 13 32.812 0.300 . 1 . . . . 24 LYS CB . 10080 1 259 . 1 1 24 24 LYS CG C 13 25.065 0.300 . 1 . . . . 24 LYS CG . 10080 1 260 . 1 1 24 24 LYS CD C 13 29.544 0.300 . 1 . . . . 24 LYS CD . 10080 1 261 . 1 1 24 24 LYS CE C 13 42.148 0.300 . 1 . . . . 24 LYS CE . 10080 1 262 . 1 1 24 24 LYS N N 15 116.527 0.300 . 1 . . . . 24 LYS N . 10080 1 263 . 1 1 25 25 ALA H H 1 7.721 0.030 . 1 . . . . 25 ALA H . 10080 1 264 . 1 1 25 25 ALA HA H 1 4.258 0.030 . 1 . . . . 25 ALA HA . 10080 1 265 . 1 1 25 25 ALA HB1 H 1 1.295 0.030 . 1 . . . . 25 ALA HB . 10080 1 266 . 1 1 25 25 ALA HB2 H 1 1.295 0.030 . 1 . . . . 25 ALA HB . 10080 1 267 . 1 1 25 25 ALA HB3 H 1 1.295 0.030 . 1 . . . . 25 ALA HB . 10080 1 268 . 1 1 25 25 ALA C C 13 181.119 0.300 . 1 . . . . 25 ALA C . 10080 1 269 . 1 1 25 25 ALA CA C 13 54.909 0.300 . 1 . . . . 25 ALA CA . 10080 1 270 . 1 1 25 25 ALA CB C 13 18.682 0.300 . 1 . . . . 25 ALA CB . 10080 1 271 . 1 1 25 25 ALA N N 15 120.895 0.300 . 1 . . . . 25 ALA N . 10080 1 272 . 1 1 26 26 VAL H H 1 8.048 0.030 . 1 . . . . 26 VAL H . 10080 1 273 . 1 1 26 26 VAL HA H 1 3.191 0.030 . 1 . . . . 26 VAL HA . 10080 1 274 . 1 1 26 26 VAL HB H 1 1.626 0.030 . 1 . . . . 26 VAL HB . 10080 1 275 . 1 1 26 26 VAL HG11 H 1 0.249 0.030 . 1 . . . . 26 VAL HG1 . 10080 1 276 . 1 1 26 26 VAL HG12 H 1 0.249 0.030 . 1 . . . . 26 VAL HG1 . 10080 1 277 . 1 1 26 26 VAL HG13 H 1 0.249 0.030 . 1 . . . . 26 VAL HG1 . 10080 1 278 . 1 1 26 26 VAL HG21 H 1 0.087 0.030 . 1 . . . . 26 VAL HG2 . 10080 1 279 . 1 1 26 26 VAL HG22 H 1 0.087 0.030 . 1 . . . . 26 VAL HG2 . 10080 1 280 . 1 1 26 26 VAL HG23 H 1 0.087 0.030 . 1 . . . . 26 VAL HG2 . 10080 1 281 . 1 1 26 26 VAL C C 13 178.376 0.300 . 1 . . . . 26 VAL C . 10080 1 282 . 1 1 26 26 VAL CA C 13 66.620 0.300 . 1 . . . . 26 VAL CA . 10080 1 283 . 1 1 26 26 VAL CB C 13 30.906 0.300 . 1 . . . . 26 VAL CB . 10080 1 284 . 1 1 26 26 VAL CG1 C 13 21.303 0.300 . 2 . . . . 26 VAL CG1 . 10080 1 285 . 1 1 26 26 VAL CG2 C 13 22.070 0.300 . 2 . . . . 26 VAL CG2 . 10080 1 286 . 1 1 26 26 VAL N N 15 118.657 0.300 . 1 . . . . 26 VAL N . 10080 1 287 . 1 1 27 27 LYS H H 1 7.470 0.030 . 1 . . . . 27 LYS H . 10080 1 288 . 1 1 27 27 LYS HA H 1 3.981 0.030 . 1 . . . . 27 LYS HA . 10080 1 289 . 1 1 27 27 LYS HB2 H 1 1.850 0.030 . 1 . . . . 27 LYS HB2 . 10080 1 290 . 1 1 27 27 LYS HB3 H 1 1.850 0.030 . 1 . . . . 27 LYS HB3 . 10080 1 291 . 1 1 27 27 LYS HG2 H 1 1.522 0.030 . 2 . . . . 27 LYS HG2 . 10080 1 292 . 1 1 27 27 LYS HG3 H 1 1.450 0.030 . 2 . . . . 27 LYS HG3 . 10080 1 293 . 1 1 27 27 LYS HE2 H 1 2.946 0.030 . 2 . . . . 27 LYS HE2 . 10080 1 294 . 1 1 27 27 LYS C C 13 179.650 0.300 . 1 . . . . 27 LYS C . 10080 1 295 . 1 1 27 27 LYS CA C 13 59.155 0.300 . 1 . . . . 27 LYS CA . 10080 1 296 . 1 1 27 27 LYS CB C 13 32.132 0.300 . 1 . . . . 27 LYS CB . 10080 1 297 . 1 1 27 27 LYS CG C 13 26.000 0.300 . 1 . . . . 27 LYS CG . 10080 1 298 . 1 1 27 27 LYS CD C 13 28.720 0.300 . 1 . . . . 27 LYS CD . 10080 1 299 . 1 1 27 27 LYS CE C 13 42.230 0.300 . 1 . . . . 27 LYS CE . 10080 1 300 . 1 1 27 27 LYS N N 15 119.293 0.300 . 1 . . . . 27 LYS N . 10080 1 301 . 1 1 28 28 GLU H H 1 7.877 0.030 . 1 . . . . 28 GLU H . 10080 1 302 . 1 1 28 28 GLU HA H 1 4.028 0.030 . 1 . . . . 28 GLU HA . 10080 1 303 . 1 1 28 28 GLU HB2 H 1 1.880 0.030 . 2 . . . . 28 GLU HB2 . 10080 1 304 . 1 1 28 28 GLU HB3 H 1 1.730 0.030 . 2 . . . . 28 GLU HB3 . 10080 1 305 . 1 1 28 28 GLU HG2 H 1 2.307 0.030 . 2 . . . . 28 GLU HG2 . 10080 1 306 . 1 1 28 28 GLU HG3 H 1 1.983 0.030 . 2 . . . . 28 GLU HG3 . 10080 1 307 . 1 1 28 28 GLU C C 13 176.992 0.300 . 1 . . . . 28 GLU C . 10080 1 308 . 1 1 28 28 GLU CA C 13 57.698 0.300 . 1 . . . . 28 GLU CA . 10080 1 309 . 1 1 28 28 GLU CB C 13 29.803 0.300 . 1 . . . . 28 GLU CB . 10080 1 310 . 1 1 28 28 GLU CG C 13 36.364 0.300 . 1 . . . . 28 GLU CG . 10080 1 311 . 1 1 28 28 GLU N N 15 116.683 0.300 . 1 . . . . 28 GLU N . 10080 1 312 . 1 1 29 29 HIS H H 1 7.529 0.030 . 1 . . . . 29 HIS H . 10080 1 313 . 1 1 29 29 HIS HA H 1 4.818 0.030 . 1 . . . . 29 HIS HA . 10080 1 314 . 1 1 29 29 HIS HB2 H 1 3.434 0.030 . 2 . . . . 29 HIS HB2 . 10080 1 315 . 1 1 29 29 HIS HB3 H 1 2.624 0.030 . 2 . . . . 29 HIS HB3 . 10080 1 316 . 1 1 29 29 HIS HD2 H 1 7.404 0.030 . 1 . . . . 29 HIS HD2 . 10080 1 317 . 1 1 29 29 HIS HE1 H 1 8.637 0.030 . 1 . . . . 29 HIS HE1 . 10080 1 318 . 1 1 29 29 HIS C C 13 173.933 0.300 . 1 . . . . 29 HIS C . 10080 1 319 . 1 1 29 29 HIS CA C 13 55.754 0.300 . 1 . . . . 29 HIS CA . 10080 1 320 . 1 1 29 29 HIS CB C 13 29.312 0.300 . 1 . . . . 29 HIS CB . 10080 1 321 . 1 1 29 29 HIS CD2 C 13 121.148 0.300 . 1 . . . . 29 HIS CD2 . 10080 1 322 . 1 1 29 29 HIS CE1 C 13 136.973 0.300 . 1 . . . . 29 HIS CE1 . 10080 1 323 . 1 1 29 29 HIS N N 15 115.644 0.300 . 1 . . . . 29 HIS N . 10080 1 324 . 1 1 30 30 GLU H H 1 7.125 0.030 . 1 . . . . 30 GLU H . 10080 1 325 . 1 1 30 30 GLU HA H 1 4.198 0.030 . 1 . . . . 30 GLU HA . 10080 1 326 . 1 1 30 30 GLU HB2 H 1 2.225 0.030 . 2 . . . . 30 GLU HB2 . 10080 1 327 . 1 1 30 30 GLU HB3 H 1 2.130 0.030 . 2 . . . . 30 GLU HB3 . 10080 1 328 . 1 1 30 30 GLU HG2 H 1 2.418 0.030 . 2 . . . . 30 GLU HG2 . 10080 1 329 . 1 1 30 30 GLU HG3 H 1 2.313 0.030 . 2 . . . . 30 GLU HG3 . 10080 1 330 . 1 1 30 30 GLU C C 13 176.737 0.300 . 1 . . . . 30 GLU C . 10080 1 331 . 1 1 30 30 GLU CA C 13 58.871 0.300 . 1 . . . . 30 GLU CA . 10080 1 332 . 1 1 30 30 GLU CB C 13 29.752 0.300 . 1 . . . . 30 GLU CB . 10080 1 333 . 1 1 30 30 GLU CG C 13 35.609 0.300 . 1 . . . . 30 GLU CG . 10080 1 334 . 1 1 30 30 GLU N N 15 117.759 0.300 . 1 . . . . 30 GLU N . 10080 1 335 . 1 1 31 31 SER H H 1 8.338 0.030 . 1 . . . . 31 SER H . 10080 1 336 . 1 1 31 31 SER HA H 1 4.395 0.030 . 1 . . . . 31 SER HA . 10080 1 337 . 1 1 31 31 SER HB2 H 1 4.109 0.030 . 2 . . . . 31 SER HB2 . 10080 1 338 . 1 1 31 31 SER HB3 H 1 3.967 0.030 . 2 . . . . 31 SER HB3 . 10080 1 339 . 1 1 31 31 SER C C 13 173.970 0.300 . 1 . . . . 31 SER C . 10080 1 340 . 1 1 31 31 SER CA C 13 59.801 0.300 . 1 . . . . 31 SER CA . 10080 1 341 . 1 1 31 31 SER CB C 13 63.167 0.300 . 1 . . . . 31 SER CB . 10080 1 342 . 1 1 31 31 SER N N 15 114.566 0.300 . 1 . . . . 31 SER N . 10080 1 343 . 1 1 32 32 LYS H H 1 7.972 0.030 . 1 . . . . 32 LYS H . 10080 1 344 . 1 1 32 32 LYS HA H 1 4.691 0.030 . 1 . . . . 32 LYS HA . 10080 1 345 . 1 1 32 32 LYS HB2 H 1 1.903 0.030 . 2 . . . . 32 LYS HB2 . 10080 1 346 . 1 1 32 32 LYS HB3 H 1 1.831 0.030 . 2 . . . . 32 LYS HB3 . 10080 1 347 . 1 1 32 32 LYS HG2 H 1 1.490 0.030 . 2 . . . . 32 LYS HG2 . 10080 1 348 . 1 1 32 32 LYS HG3 H 1 1.425 0.030 . 2 . . . . 32 LYS HG3 . 10080 1 349 . 1 1 32 32 LYS HD2 H 1 1.626 0.030 . 2 . . . . 32 LYS HD2 . 10080 1 350 . 1 1 32 32 LYS HE2 H 1 2.934 0.030 . 2 . . . . 32 LYS HE2 . 10080 1 351 . 1 1 32 32 LYS C C 13 175.669 0.300 . 1 . . . . 32 LYS C . 10080 1 352 . 1 1 32 32 LYS CA C 13 54.504 0.300 . 1 . . . . 32 LYS CA . 10080 1 353 . 1 1 32 32 LYS CB C 13 35.255 0.300 . 1 . . . . 32 LYS CB . 10080 1 354 . 1 1 32 32 LYS CG C 13 25.349 0.300 . 1 . . . . 32 LYS CG . 10080 1 355 . 1 1 32 32 LYS CD C 13 29.297 0.300 . 1 . . . . 32 LYS CD . 10080 1 356 . 1 1 32 32 LYS CE C 13 42.230 0.300 . 1 . . . . 32 LYS CE . 10080 1 357 . 1 1 32 32 LYS N N 15 121.730 0.300 . 1 . . . . 32 LYS N . 10080 1 358 . 1 1 33 33 THR H H 1 8.624 0.030 . 1 . . . . 33 THR H . 10080 1 359 . 1 1 33 33 THR HA H 1 4.011 0.030 . 1 . . . . 33 THR HA . 10080 1 360 . 1 1 33 33 THR HB H 1 4.113 0.030 . 1 . . . . 33 THR HB . 10080 1 361 . 1 1 33 33 THR HG21 H 1 0.926 0.030 . 1 . . . . 33 THR HG2 . 10080 1 362 . 1 1 33 33 THR HG22 H 1 0.926 0.030 . 1 . . . . 33 THR HG2 . 10080 1 363 . 1 1 33 33 THR HG23 H 1 0.926 0.030 . 1 . . . . 33 THR HG2 . 10080 1 364 . 1 1 33 33 THR C C 13 173.095 0.300 . 1 . . . . 33 THR C . 10080 1 365 . 1 1 33 33 THR CA C 13 64.218 0.300 . 1 . . . . 33 THR CA . 10080 1 366 . 1 1 33 33 THR CB C 13 69.066 0.300 . 1 . . . . 33 THR CB . 10080 1 367 . 1 1 33 33 THR CG2 C 13 22.662 0.300 . 1 . . . . 33 THR CG2 . 10080 1 368 . 1 1 33 33 THR N N 15 118.750 0.300 . 1 . . . . 33 THR N . 10080 1 369 . 1 1 34 34 ILE H H 1 8.749 0.030 . 1 . . . . 34 ILE H . 10080 1 370 . 1 1 34 34 ILE HA H 1 4.840 0.030 . 1 . . . . 34 ILE HA . 10080 1 371 . 1 1 34 34 ILE HB H 1 1.677 0.030 . 1 . . . . 34 ILE HB . 10080 1 372 . 1 1 34 34 ILE HG12 H 1 1.866 0.030 . 2 . . . . 34 ILE HG12 . 10080 1 373 . 1 1 34 34 ILE HG13 H 1 0.515 0.030 . 2 . . . . 34 ILE HG13 . 10080 1 374 . 1 1 34 34 ILE HG21 H 1 0.623 0.030 . 1 . . . . 34 ILE HG2 . 10080 1 375 . 1 1 34 34 ILE HG22 H 1 0.623 0.030 . 1 . . . . 34 ILE HG2 . 10080 1 376 . 1 1 34 34 ILE HG23 H 1 0.623 0.030 . 1 . . . . 34 ILE HG2 . 10080 1 377 . 1 1 34 34 ILE HD11 H 1 0.717 0.030 . 1 . . . . 34 ILE HD1 . 10080 1 378 . 1 1 34 34 ILE HD12 H 1 0.717 0.030 . 1 . . . . 34 ILE HD1 . 10080 1 379 . 1 1 34 34 ILE HD13 H 1 0.717 0.030 . 1 . . . . 34 ILE HD1 . 10080 1 380 . 1 1 34 34 ILE C C 13 175.183 0.300 . 1 . . . . 34 ILE C . 10080 1 381 . 1 1 34 34 ILE CA C 13 60.101 0.300 . 1 . . . . 34 ILE CA . 10080 1 382 . 1 1 34 34 ILE CB C 13 42.057 0.300 . 1 . . . . 34 ILE CB . 10080 1 383 . 1 1 34 34 ILE CG1 C 13 27.206 0.300 . 1 . . . . 34 ILE CG1 . 10080 1 384 . 1 1 34 34 ILE CG2 C 13 17.276 0.300 . 1 . . . . 34 ILE CG2 . 10080 1 385 . 1 1 34 34 ILE CD1 C 13 15.083 0.300 . 1 . . . . 34 ILE CD1 . 10080 1 386 . 1 1 34 34 ILE N N 15 128.371 0.300 . 1 . . . . 34 ILE N . 10080 1 387 . 1 1 35 35 PHE H H 1 9.256 0.030 . 1 . . . . 35 PHE H . 10080 1 388 . 1 1 35 35 PHE HA H 1 5.521 0.030 . 1 . . . . 35 PHE HA . 10080 1 389 . 1 1 35 35 PHE HB2 H 1 3.180 0.030 . 2 . . . . 35 PHE HB2 . 10080 1 390 . 1 1 35 35 PHE HB3 H 1 3.083 0.030 . 2 . . . . 35 PHE HB3 . 10080 1 391 . 1 1 35 35 PHE HD1 H 1 7.048 0.030 . 1 . . . . 35 PHE HD1 . 10080 1 392 . 1 1 35 35 PHE HD2 H 1 7.048 0.030 . 1 . . . . 35 PHE HD2 . 10080 1 393 . 1 1 35 35 PHE HE1 H 1 7.480 0.030 . 1 . . . . 35 PHE HE1 . 10080 1 394 . 1 1 35 35 PHE HE2 H 1 7.480 0.030 . 1 . . . . 35 PHE HE2 . 10080 1 395 . 1 1 35 35 PHE HZ H 1 7.636 0.030 . 1 . . . . 35 PHE HZ . 10080 1 396 . 1 1 35 35 PHE C C 13 173.884 0.300 . 1 . . . . 35 PHE C . 10080 1 397 . 1 1 35 35 PHE CA C 13 56.757 0.300 . 1 . . . . 35 PHE CA . 10080 1 398 . 1 1 35 35 PHE CB C 13 42.559 0.300 . 1 . . . . 35 PHE CB . 10080 1 399 . 1 1 35 35 PHE CD1 C 13 131.433 0.300 . 1 . . . . 35 PHE CD1 . 10080 1 400 . 1 1 35 35 PHE CD2 C 13 131.433 0.300 . 1 . . . . 35 PHE CD2 . 10080 1 401 . 1 1 35 35 PHE CE1 C 13 132.492 0.300 . 1 . . . . 35 PHE CE1 . 10080 1 402 . 1 1 35 35 PHE CE2 C 13 132.492 0.300 . 1 . . . . 35 PHE CE2 . 10080 1 403 . 1 1 35 35 PHE CZ C 13 130.279 0.300 . 1 . . . . 35 PHE CZ . 10080 1 404 . 1 1 35 35 PHE N N 15 125.859 0.300 . 1 . . . . 35 PHE N . 10080 1 405 . 1 1 36 36 ALA H H 1 9.689 0.030 . 1 . . . . 36 ALA H . 10080 1 406 . 1 1 36 36 ALA HA H 1 5.236 0.030 . 1 . . . . 36 ALA HA . 10080 1 407 . 1 1 36 36 ALA HB1 H 1 1.281 0.030 . 1 . . . . 36 ALA HB . 10080 1 408 . 1 1 36 36 ALA HB2 H 1 1.281 0.030 . 1 . . . . 36 ALA HB . 10080 1 409 . 1 1 36 36 ALA HB3 H 1 1.281 0.030 . 1 . . . . 36 ALA HB . 10080 1 410 . 1 1 36 36 ALA C C 13 173.399 0.300 . 1 . . . . 36 ALA C . 10080 1 411 . 1 1 36 36 ALA CA C 13 49.859 0.300 . 1 . . . . 36 ALA CA . 10080 1 412 . 1 1 36 36 ALA CB C 13 22.703 0.300 . 1 . . . . 36 ALA CB . 10080 1 413 . 1 1 36 36 ALA N N 15 125.285 0.300 . 1 . . . . 36 ALA N . 10080 1 414 . 1 1 37 37 TYR H H 1 8.725 0.030 . 1 . . . . 37 TYR H . 10080 1 415 . 1 1 37 37 TYR HA H 1 5.546 0.030 . 1 . . . . 37 TYR HA . 10080 1 416 . 1 1 37 37 TYR HB2 H 1 2.960 0.030 . 2 . . . . 37 TYR HB2 . 10080 1 417 . 1 1 37 37 TYR HB3 H 1 2.533 0.030 . 2 . . . . 37 TYR HB3 . 10080 1 418 . 1 1 37 37 TYR HD1 H 1 6.693 0.030 . 1 . . . . 37 TYR HD1 . 10080 1 419 . 1 1 37 37 TYR HD2 H 1 6.693 0.030 . 1 . . . . 37 TYR HD2 . 10080 1 420 . 1 1 37 37 TYR HE1 H 1 6.555 0.030 . 1 . . . . 37 TYR HE1 . 10080 1 421 . 1 1 37 37 TYR HE2 H 1 6.555 0.030 . 1 . . . . 37 TYR HE2 . 10080 1 422 . 1 1 37 37 TYR C C 13 171.918 0.300 . 1 . . . . 37 TYR C . 10080 1 423 . 1 1 37 37 TYR CA C 13 54.170 0.300 . 1 . . . . 37 TYR CA . 10080 1 424 . 1 1 37 37 TYR CB C 13 42.550 0.300 . 1 . . . . 37 TYR CB . 10080 1 425 . 1 1 37 37 TYR CD1 C 13 132.225 0.300 . 1 . . . . 37 TYR CD1 . 10080 1 426 . 1 1 37 37 TYR CD2 C 13 132.225 0.300 . 1 . . . . 37 TYR CD2 . 10080 1 427 . 1 1 37 37 TYR CE1 C 13 117.489 0.300 . 1 . . . . 37 TYR CE1 . 10080 1 428 . 1 1 37 37 TYR CE2 C 13 117.489 0.300 . 1 . . . . 37 TYR CE2 . 10080 1 429 . 1 1 37 37 TYR N N 15 124.611 0.300 . 1 . . . . 37 TYR N . 10080 1 430 . 1 1 38 38 PHE H H 1 8.676 0.030 . 1 . . . . 38 PHE H . 10080 1 431 . 1 1 38 38 PHE HA H 1 4.501 0.030 . 1 . . . . 38 PHE HA . 10080 1 432 . 1 1 38 38 PHE HB2 H 1 2.492 0.030 . 2 . . . . 38 PHE HB2 . 10080 1 433 . 1 1 38 38 PHE HB3 H 1 2.134 0.030 . 2 . . . . 38 PHE HB3 . 10080 1 434 . 1 1 38 38 PHE HD1 H 1 6.708 0.030 . 1 . . . . 38 PHE HD1 . 10080 1 435 . 1 1 38 38 PHE HD2 H 1 6.708 0.030 . 1 . . . . 38 PHE HD2 . 10080 1 436 . 1 1 38 38 PHE HE1 H 1 6.682 0.030 . 1 . . . . 38 PHE HE1 . 10080 1 437 . 1 1 38 38 PHE HE2 H 1 6.682 0.030 . 1 . . . . 38 PHE HE2 . 10080 1 438 . 1 1 38 38 PHE HZ H 1 6.762 0.030 . 1 . . . . 38 PHE HZ . 10080 1 439 . 1 1 38 38 PHE C C 13 172.768 0.300 . 1 . . . . 38 PHE C . 10080 1 440 . 1 1 38 38 PHE CA C 13 56.447 0.300 . 1 . . . . 38 PHE CA . 10080 1 441 . 1 1 38 38 PHE CB C 13 39.606 0.300 . 1 . . . . 38 PHE CB . 10080 1 442 . 1 1 38 38 PHE CD1 C 13 131.463 0.300 . 1 . . . . 38 PHE CD1 . 10080 1 443 . 1 1 38 38 PHE CD2 C 13 131.463 0.300 . 1 . . . . 38 PHE CD2 . 10080 1 444 . 1 1 38 38 PHE CE1 C 13 130.494 0.300 . 1 . . . . 38 PHE CE1 . 10080 1 445 . 1 1 38 38 PHE CE2 C 13 130.494 0.300 . 1 . . . . 38 PHE CE2 . 10080 1 446 . 1 1 38 38 PHE CZ C 13 129.837 0.300 . 1 . . . . 38 PHE CZ . 10080 1 447 . 1 1 38 38 PHE N N 15 125.632 0.300 . 1 . . . . 38 PHE N . 10080 1 448 . 1 1 39 39 SER H H 1 8.214 0.030 . 1 . . . . 39 SER H . 10080 1 449 . 1 1 39 39 SER HA H 1 4.513 0.030 . 1 . . . . 39 SER HA . 10080 1 450 . 1 1 39 39 SER HB2 H 1 3.073 0.030 . 2 . . . . 39 SER HB2 . 10080 1 451 . 1 1 39 39 SER HB3 H 1 2.964 0.030 . 2 . . . . 39 SER HB3 . 10080 1 452 . 1 1 39 39 SER C C 13 175.268 0.300 . 1 . . . . 39 SER C . 10080 1 453 . 1 1 39 39 SER CA C 13 54.346 0.300 . 1 . . . . 39 SER CA . 10080 1 454 . 1 1 39 39 SER CB C 13 66.113 0.300 . 1 . . . . 39 SER CB . 10080 1 455 . 1 1 39 39 SER N N 15 112.718 0.300 . 1 . . . . 39 SER N . 10080 1 456 . 1 1 40 40 GLY H H 1 7.024 0.030 . 1 . . . . 40 GLY H . 10080 1 457 . 1 1 40 40 GLY HA2 H 1 3.876 0.030 . 2 . . . . 40 GLY HA2 . 10080 1 458 . 1 1 40 40 GLY HA3 H 1 2.137 0.030 . 2 . . . . 40 GLY HA3 . 10080 1 459 . 1 1 40 40 GLY C C 13 174.673 0.300 . 1 . . . . 40 GLY C . 10080 1 460 . 1 1 40 40 GLY CA C 13 46.357 0.300 . 1 . . . . 40 GLY CA . 10080 1 461 . 1 1 40 40 GLY N N 15 110.336 0.300 . 1 . . . . 40 GLY N . 10080 1 462 . 1 1 41 41 SER H H 1 8.300 0.030 . 1 . . . . 41 SER H . 10080 1 463 . 1 1 41 41 SER HA H 1 4.668 0.030 . 1 . . . . 41 SER HA . 10080 1 464 . 1 1 41 41 SER HB2 H 1 4.006 0.030 . 2 . . . . 41 SER HB2 . 10080 1 465 . 1 1 41 41 SER HB3 H 1 3.795 0.030 . 2 . . . . 41 SER HB3 . 10080 1 466 . 1 1 41 41 SER C C 13 173.374 0.300 . 1 . . . . 41 SER C . 10080 1 467 . 1 1 41 41 SER CA C 13 60.559 0.300 . 1 . . . . 41 SER CA . 10080 1 468 . 1 1 41 41 SER CB C 13 63.972 0.300 . 1 . . . . 41 SER CB . 10080 1 469 . 1 1 41 41 SER N N 15 122.298 0.300 . 1 . . . . 41 SER N . 10080 1 470 . 1 1 42 42 LYS H H 1 8.381 0.030 . 1 . . . . 42 LYS H . 10080 1 471 . 1 1 42 42 LYS HA H 1 4.191 0.030 . 1 . . . . 42 LYS HA . 10080 1 472 . 1 1 42 42 LYS HB2 H 1 1.724 0.030 . 2 . . . . 42 LYS HB2 . 10080 1 473 . 1 1 42 42 LYS HB3 H 1 1.559 0.030 . 2 . . . . 42 LYS HB3 . 10080 1 474 . 1 1 42 42 LYS HG2 H 1 1.445 0.030 . 2 . . . . 42 LYS HG2 . 10080 1 475 . 1 1 42 42 LYS HG3 H 1 1.133 0.030 . 2 . . . . 42 LYS HG3 . 10080 1 476 . 1 1 42 42 LYS HD2 H 1 1.589 0.030 . 2 . . . . 42 LYS HD2 . 10080 1 477 . 1 1 42 42 LYS HE2 H 1 2.984 0.030 . 2 . . . . 42 LYS HE2 . 10080 1 478 . 1 1 42 42 LYS HE3 H 1 2.926 0.030 . 2 . . . . 42 LYS HE3 . 10080 1 479 . 1 1 42 42 LYS C C 13 176.822 0.300 . 1 . . . . 42 LYS C . 10080 1 480 . 1 1 42 42 LYS CA C 13 56.141 0.300 . 1 . . . . 42 LYS CA . 10080 1 481 . 1 1 42 42 LYS CB C 13 34.519 0.300 . 1 . . . . 42 LYS CB . 10080 1 482 . 1 1 42 42 LYS CG C 13 26.003 0.300 . 1 . . . . 42 LYS CG . 10080 1 483 . 1 1 42 42 LYS CD C 13 29.707 0.300 . 1 . . . . 42 LYS CD . 10080 1 484 . 1 1 42 42 LYS CE C 13 42.313 0.300 . 1 . . . . 42 LYS CE . 10080 1 485 . 1 1 42 42 LYS N N 15 121.722 0.300 . 1 . . . . 42 LYS N . 10080 1 486 . 1 1 43 43 ASP H H 1 8.276 0.030 . 1 . . . . 43 ASP H . 10080 1 487 . 1 1 43 43 ASP HA H 1 4.727 0.030 . 1 . . . . 43 ASP HA . 10080 1 488 . 1 1 43 43 ASP HB2 H 1 3.464 0.030 . 2 . . . . 43 ASP HB2 . 10080 1 489 . 1 1 43 43 ASP HB3 H 1 2.915 0.030 . 2 . . . . 43 ASP HB3 . 10080 1 490 . 1 1 43 43 ASP C C 13 178.509 0.300 . 1 . . . . 43 ASP C . 10080 1 491 . 1 1 43 43 ASP CA C 13 52.621 0.300 . 1 . . . . 43 ASP CA . 10080 1 492 . 1 1 43 43 ASP CB C 13 41.487 0.300 . 1 . . . . 43 ASP CB . 10080 1 493 . 1 1 43 43 ASP N N 15 122.710 0.300 . 1 . . . . 43 ASP N . 10080 1 494 . 1 1 44 44 THR H H 1 8.018 0.030 . 1 . . . . 44 THR H . 10080 1 495 . 1 1 44 44 THR HA H 1 4.117 0.030 . 1 . . . . 44 THR HA . 10080 1 496 . 1 1 44 44 THR HB H 1 4.386 0.030 . 1 . . . . 44 THR HB . 10080 1 497 . 1 1 44 44 THR HG21 H 1 1.365 0.030 . 1 . . . . 44 THR HG2 . 10080 1 498 . 1 1 44 44 THR HG22 H 1 1.365 0.030 . 1 . . . . 44 THR HG2 . 10080 1 499 . 1 1 44 44 THR HG23 H 1 1.365 0.030 . 1 . . . . 44 THR HG2 . 10080 1 500 . 1 1 44 44 THR C C 13 175.863 0.300 . 1 . . . . 44 THR C . 10080 1 501 . 1 1 44 44 THR CA C 13 64.659 0.300 . 1 . . . . 44 THR CA . 10080 1 502 . 1 1 44 44 THR CB C 13 68.847 0.300 . 1 . . . . 44 THR CB . 10080 1 503 . 1 1 44 44 THR CG2 C 13 22.063 0.300 . 1 . . . . 44 THR CG2 . 10080 1 504 . 1 1 44 44 THR N N 15 110.194 0.300 . 1 . . . . 44 THR N . 10080 1 505 . 1 1 45 45 GLU H H 1 8.230 0.030 . 1 . . . . 45 GLU H . 10080 1 506 . 1 1 45 45 GLU HA H 1 4.427 0.030 . 1 . . . . 45 GLU HA . 10080 1 507 . 1 1 45 45 GLU HB2 H 1 2.285 0.030 . 2 . . . . 45 GLU HB2 . 10080 1 508 . 1 1 45 45 GLU HB3 H 1 2.097 0.030 . 2 . . . . 45 GLU HB3 . 10080 1 509 . 1 1 45 45 GLU HG2 H 1 2.284 0.030 . 2 . . . . 45 GLU HG2 . 10080 1 510 . 1 1 45 45 GLU HG3 H 1 2.242 0.030 . 2 . . . . 45 GLU HG3 . 10080 1 511 . 1 1 45 45 GLU C C 13 176.895 0.300 . 1 . . . . 45 GLU C . 10080 1 512 . 1 1 45 45 GLU CA C 13 56.050 0.300 . 1 . . . . 45 GLU CA . 10080 1 513 . 1 1 45 45 GLU CB C 13 29.837 0.300 . 1 . . . . 45 GLU CB . 10080 1 514 . 1 1 45 45 GLU CG C 13 36.876 0.300 . 1 . . . . 45 GLU CG . 10080 1 515 . 1 1 45 45 GLU N N 15 120.386 0.300 . 1 . . . . 45 GLU N . 10080 1 516 . 1 1 46 46 GLY H H 1 8.128 0.030 . 1 . . . . 46 GLY H . 10080 1 517 . 1 1 46 46 GLY HA2 H 1 4.240 0.030 . 2 . . . . 46 GLY HA2 . 10080 1 518 . 1 1 46 46 GLY HA3 H 1 3.686 0.030 . 2 . . . . 46 GLY HA3 . 10080 1 519 . 1 1 46 46 GLY C C 13 173.617 0.300 . 1 . . . . 46 GLY C . 10080 1 520 . 1 1 46 46 GLY CA C 13 45.725 0.300 . 1 . . . . 46 GLY CA . 10080 1 521 . 1 1 46 46 GLY N N 15 107.495 0.300 . 1 . . . . 46 GLY N . 10080 1 522 . 1 1 47 47 LYS H H 1 8.251 0.030 . 1 . . . . 47 LYS H . 10080 1 523 . 1 1 47 47 LYS HA H 1 4.589 0.030 . 1 . . . . 47 LYS HA . 10080 1 524 . 1 1 47 47 LYS HB2 H 1 1.828 0.030 . 2 . . . . 47 LYS HB2 . 10080 1 525 . 1 1 47 47 LYS HB3 H 1 1.785 0.030 . 2 . . . . 47 LYS HB3 . 10080 1 526 . 1 1 47 47 LYS HG2 H 1 1.393 0.030 . 1 . . . . 47 LYS HG2 . 10080 1 527 . 1 1 47 47 LYS HG3 H 1 1.393 0.030 . 1 . . . . 47 LYS HG3 . 10080 1 528 . 1 1 47 47 LYS HD2 H 1 1.678 0.030 . 2 . . . . 47 LYS HD2 . 10080 1 529 . 1 1 47 47 LYS HE2 H 1 2.996 0.030 . 2 . . . . 47 LYS HE2 . 10080 1 530 . 1 1 47 47 LYS C C 13 176.227 0.300 . 1 . . . . 47 LYS C . 10080 1 531 . 1 1 47 47 LYS CA C 13 54.768 0.300 . 1 . . . . 47 LYS CA . 10080 1 532 . 1 1 47 47 LYS CB C 13 34.130 0.300 . 1 . . . . 47 LYS CB . 10080 1 533 . 1 1 47 47 LYS CG C 13 24.550 0.300 . 1 . . . . 47 LYS CG . 10080 1 534 . 1 1 47 47 LYS CD C 13 29.132 0.300 . 1 . . . . 47 LYS CD . 10080 1 535 . 1 1 47 47 LYS CE C 13 42.313 0.300 . 1 . . . . 47 LYS CE . 10080 1 536 . 1 1 47 47 LYS N N 15 121.295 0.300 . 1 . . . . 47 LYS N . 10080 1 537 . 1 1 48 48 SER H H 1 8.605 0.030 . 1 . . . . 48 SER H . 10080 1 538 . 1 1 48 48 SER HA H 1 4.084 0.030 . 1 . . . . 48 SER HA . 10080 1 539 . 1 1 48 48 SER HB2 H 1 3.754 0.030 . 2 . . . . 48 SER HB2 . 10080 1 540 . 1 1 48 48 SER HB3 H 1 3.405 0.030 . 2 . . . . 48 SER HB3 . 10080 1 541 . 1 1 48 48 SER C C 13 174.746 0.300 . 1 . . . . 48 SER C . 10080 1 542 . 1 1 48 48 SER CA C 13 58.675 0.300 . 1 . . . . 48 SER CA . 10080 1 543 . 1 1 48 48 SER CB C 13 63.660 0.300 . 1 . . . . 48 SER CB . 10080 1 544 . 1 1 48 48 SER N N 15 117.993 0.300 . 1 . . . . 48 SER N . 10080 1 545 . 1 1 49 49 TRP H H 1 7.202 0.030 . 1 . . . . 49 TRP H . 10080 1 546 . 1 1 49 49 TRP HA H 1 4.568 0.030 . 1 . . . . 49 TRP HA . 10080 1 547 . 1 1 49 49 TRP HB2 H 1 3.704 0.030 . 2 . . . . 49 TRP HB2 . 10080 1 548 . 1 1 49 49 TRP HB3 H 1 3.438 0.030 . 2 . . . . 49 TRP HB3 . 10080 1 549 . 1 1 49 49 TRP HD1 H 1 7.770 0.030 . 1 . . . . 49 TRP HD1 . 10080 1 550 . 1 1 49 49 TRP HE1 H 1 10.710 0.030 . 1 . . . . 49 TRP HE1 . 10080 1 551 . 1 1 49 49 TRP HE3 H 1 7.603 0.030 . 1 . . . . 49 TRP HE3 . 10080 1 552 . 1 1 49 49 TRP HZ2 H 1 7.055 0.030 . 1 . . . . 49 TRP HZ2 . 10080 1 553 . 1 1 49 49 TRP HH2 H 1 7.219 0.030 . 1 . . . . 49 TRP HH2 . 10080 1 554 . 1 1 49 49 TRP C C 13 175.669 0.300 . 1 . . . . 49 TRP C . 10080 1 555 . 1 1 49 49 TRP CA C 13 57.549 0.300 . 1 . . . . 49 TRP CA . 10080 1 556 . 1 1 49 49 TRP CB C 13 29.126 0.300 . 1 . . . . 49 TRP CB . 10080 1 557 . 1 1 49 49 TRP CD1 C 13 130.351 0.300 . 1 . . . . 49 TRP CD1 . 10080 1 558 . 1 1 49 49 TRP CE3 C 13 122.079 0.300 . 1 . . . . 49 TRP CE3 . 10080 1 559 . 1 1 49 49 TRP CZ2 C 13 113.684 0.300 . 1 . . . . 49 TRP CZ2 . 10080 1 560 . 1 1 49 49 TRP CZ3 C 13 122.127 0.300 . 1 . . . . 49 TRP CZ3 . 10080 1 561 . 1 1 49 49 TRP CH2 C 13 125.407 0.300 . 1 . . . . 49 TRP CH2 . 10080 1 562 . 1 1 49 49 TRP N N 15 122.205 0.300 . 1 . . . . 49 TRP N . 10080 1 563 . 1 1 49 49 TRP NE1 N 15 128.690 0.300 . 1 . . . . 49 TRP NE1 . 10080 1 564 . 1 1 50 50 CYS H H 1 7.016 0.030 . 1 . . . . 50 CYS H . 10080 1 565 . 1 1 50 50 CYS HA H 1 4.769 0.030 . 1 . . . . 50 CYS HA . 10080 1 566 . 1 1 50 50 CYS HB2 H 1 1.865 0.030 . 2 . . . . 50 CYS HB2 . 10080 1 567 . 1 1 50 50 CYS HB3 H 1 1.093 0.030 . 2 . . . . 50 CYS HB3 . 10080 1 568 . 1 1 50 50 CYS C C 13 173.994 0.300 . 1 . . . . 50 CYS C . 10080 1 569 . 1 1 50 50 CYS CA C 13 54.979 0.300 . 1 . . . . 50 CYS CA . 10080 1 570 . 1 1 50 50 CYS CB C 13 26.920 0.300 . 1 . . . . 50 CYS CB . 10080 1 571 . 1 1 50 50 CYS N N 15 122.748 0.300 . 1 . . . . 50 CYS N . 10080 1 572 . 1 1 51 51 PRO HA H 1 4.276 0.030 . 1 . . . . 51 PRO HA . 10080 1 573 . 1 1 51 51 PRO HB2 H 1 2.449 0.030 . 2 . . . . 51 PRO HB2 . 10080 1 574 . 1 1 51 51 PRO HB3 H 1 2.107 0.030 . 2 . . . . 51 PRO HB3 . 10080 1 575 . 1 1 51 51 PRO HG2 H 1 2.230 0.030 . 2 . . . . 51 PRO HG2 . 10080 1 576 . 1 1 51 51 PRO HG3 H 1 2.134 0.030 . 2 . . . . 51 PRO HG3 . 10080 1 577 . 1 1 51 51 PRO HD2 H 1 4.407 0.030 . 2 . . . . 51 PRO HD2 . 10080 1 578 . 1 1 51 51 PRO HD3 H 1 4.151 0.030 . 2 . . . . 51 PRO HD3 . 10080 1 579 . 1 1 51 51 PRO C C 13 178.898 0.300 . 1 . . . . 51 PRO C . 10080 1 580 . 1 1 51 51 PRO CA C 13 65.820 0.300 . 1 . . . . 51 PRO CA . 10080 1 581 . 1 1 51 51 PRO CB C 13 32.220 0.300 . 1 . . . . 51 PRO CB . 10080 1 582 . 1 1 51 51 PRO CG C 13 27.542 0.300 . 1 . . . . 51 PRO CG . 10080 1 583 . 1 1 51 51 PRO CD C 13 51.627 0.300 . 1 . . . . 51 PRO CD . 10080 1 584 . 1 1 52 52 ASP H H 1 8.397 0.030 . 1 . . . . 52 ASP H . 10080 1 585 . 1 1 52 52 ASP HA H 1 4.444 0.030 . 1 . . . . 52 ASP HA . 10080 1 586 . 1 1 52 52 ASP HB2 H 1 2.514 0.030 . 2 . . . . 52 ASP HB2 . 10080 1 587 . 1 1 52 52 ASP HB3 H 1 2.370 0.030 . 2 . . . . 52 ASP HB3 . 10080 1 588 . 1 1 52 52 ASP C C 13 178.946 0.300 . 1 . . . . 52 ASP C . 10080 1 589 . 1 1 52 52 ASP CA C 13 57.425 0.300 . 1 . . . . 52 ASP CA . 10080 1 590 . 1 1 52 52 ASP CB C 13 40.491 0.300 . 1 . . . . 52 ASP CB . 10080 1 591 . 1 1 52 52 ASP N N 15 118.481 0.300 . 1 . . . . 52 ASP N . 10080 1 592 . 1 1 53 53 CYS H H 1 7.852 0.030 . 1 . . . . 53 CYS H . 10080 1 593 . 1 1 53 53 CYS HA H 1 4.159 0.030 . 1 . . . . 53 CYS HA . 10080 1 594 . 1 1 53 53 CYS HB2 H 1 3.223 0.030 . 2 . . . . 53 CYS HB2 . 10080 1 595 . 1 1 53 53 CYS HB3 H 1 3.173 0.030 . 2 . . . . 53 CYS HB3 . 10080 1 596 . 1 1 53 53 CYS C C 13 176.470 0.300 . 1 . . . . 53 CYS C . 10080 1 597 . 1 1 53 53 CYS CA C 13 63.128 0.300 . 1 . . . . 53 CYS CA . 10080 1 598 . 1 1 53 53 CYS CB C 13 27.621 0.300 . 1 . . . . 53 CYS CB . 10080 1 599 . 1 1 53 53 CYS N N 15 118.084 0.300 . 1 . . . . 53 CYS N . 10080 1 600 . 1 1 54 54 VAL H H 1 7.373 0.030 . 1 . . . . 54 VAL H . 10080 1 601 . 1 1 54 54 VAL HA H 1 3.775 0.030 . 1 . . . . 54 VAL HA . 10080 1 602 . 1 1 54 54 VAL HB H 1 2.348 0.030 . 1 . . . . 54 VAL HB . 10080 1 603 . 1 1 54 54 VAL HG11 H 1 0.992 0.030 . 1 . . . . 54 VAL HG1 . 10080 1 604 . 1 1 54 54 VAL HG12 H 1 0.992 0.030 . 1 . . . . 54 VAL HG1 . 10080 1 605 . 1 1 54 54 VAL HG13 H 1 0.992 0.030 . 1 . . . . 54 VAL HG1 . 10080 1 606 . 1 1 54 54 VAL HG21 H 1 1.079 0.030 . 1 . . . . 54 VAL HG2 . 10080 1 607 . 1 1 54 54 VAL HG22 H 1 1.079 0.030 . 1 . . . . 54 VAL HG2 . 10080 1 608 . 1 1 54 54 VAL HG23 H 1 1.079 0.030 . 1 . . . . 54 VAL HG2 . 10080 1 609 . 1 1 54 54 VAL C C 13 178.752 0.300 . 1 . . . . 54 VAL C . 10080 1 610 . 1 1 54 54 VAL CA C 13 66.019 0.300 . 1 . . . . 54 VAL CA . 10080 1 611 . 1 1 54 54 VAL CB C 13 31.602 0.300 . 1 . . . . 54 VAL CB . 10080 1 612 . 1 1 54 54 VAL CG1 C 13 21.303 0.300 . 2 . . . . 54 VAL CG1 . 10080 1 613 . 1 1 54 54 VAL CG2 C 13 23.374 0.300 . 2 . . . . 54 VAL CG2 . 10080 1 614 . 1 1 54 54 VAL N N 15 121.513 0.300 . 1 . . . . 54 VAL N . 10080 1 615 . 1 1 55 55 GLU H H 1 7.486 0.030 . 1 . . . . 55 GLU H . 10080 1 616 . 1 1 55 55 GLU HA H 1 4.062 0.030 . 1 . . . . 55 GLU HA . 10080 1 617 . 1 1 55 55 GLU HB2 H 1 2.134 0.030 . 2 . . . . 55 GLU HB2 . 10080 1 618 . 1 1 55 55 GLU HB3 H 1 2.043 0.030 . 2 . . . . 55 GLU HB3 . 10080 1 619 . 1 1 55 55 GLU HG2 H 1 2.411 0.030 . 2 . . . . 55 GLU HG2 . 10080 1 620 . 1 1 55 55 GLU HG3 H 1 2.311 0.030 . 2 . . . . 55 GLU HG3 . 10080 1 621 . 1 1 55 55 GLU C C 13 177.878 0.300 . 1 . . . . 55 GLU C . 10080 1 622 . 1 1 55 55 GLU CA C 13 58.394 0.300 . 1 . . . . 55 GLU CA . 10080 1 623 . 1 1 55 55 GLU CB C 13 30.039 0.300 . 1 . . . . 55 GLU CB . 10080 1 624 . 1 1 55 55 GLU CG C 13 36.292 0.300 . 1 . . . . 55 GLU CG . 10080 1 625 . 1 1 55 55 GLU N N 15 117.432 0.300 . 1 . . . . 55 GLU N . 10080 1 626 . 1 1 56 56 ALA H H 1 7.826 0.030 . 1 . . . . 56 ALA H . 10080 1 627 . 1 1 56 56 ALA HA H 1 4.074 0.030 . 1 . . . . 56 ALA HA . 10080 1 628 . 1 1 56 56 ALA HB1 H 1 1.409 0.030 . 1 . . . . 56 ALA HB . 10080 1 629 . 1 1 56 56 ALA HB2 H 1 1.409 0.030 . 1 . . . . 56 ALA HB . 10080 1 630 . 1 1 56 56 ALA HB3 H 1 1.409 0.030 . 1 . . . . 56 ALA HB . 10080 1 631 . 1 1 56 56 ALA C C 13 179.359 0.300 . 1 . . . . 56 ALA C . 10080 1 632 . 1 1 56 56 ALA CA C 13 54.468 0.300 . 1 . . . . 56 ALA CA . 10080 1 633 . 1 1 56 56 ALA CB C 13 19.651 0.300 . 1 . . . . 56 ALA CB . 10080 1 634 . 1 1 56 56 ALA N N 15 118.405 0.300 . 1 . . . . 56 ALA N . 10080 1 635 . 1 1 57 57 GLU H H 1 7.587 0.030 . 1 . . . . 57 GLU H . 10080 1 636 . 1 1 57 57 GLU HA H 1 3.734 0.030 . 1 . . . . 57 GLU HA . 10080 1 637 . 1 1 57 57 GLU HB2 H 1 2.371 0.030 . 2 . . . . 57 GLU HB2 . 10080 1 638 . 1 1 57 57 GLU HB3 H 1 2.243 0.030 . 2 . . . . 57 GLU HB3 . 10080 1 639 . 1 1 57 57 GLU C C 13 174.164 0.300 . 1 . . . . 57 GLU C . 10080 1 640 . 1 1 57 57 GLU CA C 13 62.717 0.300 . 1 . . . . 57 GLU CA . 10080 1 641 . 1 1 57 57 GLU CB C 13 26.344 0.300 . 1 . . . . 57 GLU CB . 10080 1 642 . 1 1 57 57 GLU N N 15 117.324 0.300 . 1 . . . . 57 GLU N . 10080 1 643 . 1 1 58 58 PRO HA H 1 4.307 0.030 . 1 . . . . 58 PRO HA . 10080 1 644 . 1 1 58 58 PRO HB2 H 1 2.308 0.030 . 2 . . . . 58 PRO HB2 . 10080 1 645 . 1 1 58 58 PRO HB3 H 1 1.882 0.030 . 2 . . . . 58 PRO HB3 . 10080 1 646 . 1 1 58 58 PRO HG2 H 1 2.101 0.030 . 2 . . . . 58 PRO HG2 . 10080 1 647 . 1 1 58 58 PRO HG3 H 1 2.039 0.030 . 2 . . . . 58 PRO HG3 . 10080 1 648 . 1 1 58 58 PRO HD2 H 1 3.961 0.030 . 2 . . . . 58 PRO HD2 . 10080 1 649 . 1 1 58 58 PRO HD3 H 1 3.640 0.030 . 2 . . . . 58 PRO HD3 . 10080 1 650 . 1 1 58 58 PRO C C 13 179.626 0.300 . 1 . . . . 58 PRO C . 10080 1 651 . 1 1 58 58 PRO CA C 13 65.820 0.300 . 1 . . . . 58 PRO CA . 10080 1 652 . 1 1 58 58 PRO CB C 13 31.058 0.300 . 1 . . . . 58 PRO CB . 10080 1 653 . 1 1 58 58 PRO CG C 13 28.369 0.300 . 1 . . . . 58 PRO CG . 10080 1 654 . 1 1 58 58 PRO CD C 13 49.974 0.300 . 1 . . . . 58 PRO CD . 10080 1 655 . 1 1 59 59 VAL H H 1 7.004 0.030 . 1 . . . . 59 VAL H . 10080 1 656 . 1 1 59 59 VAL HA H 1 3.605 0.030 . 1 . . . . 59 VAL HA . 10080 1 657 . 1 1 59 59 VAL HB H 1 2.580 0.030 . 1 . . . . 59 VAL HB . 10080 1 658 . 1 1 59 59 VAL HG11 H 1 0.699 0.030 . 1 . . . . 59 VAL HG1 . 10080 1 659 . 1 1 59 59 VAL HG12 H 1 0.699 0.030 . 1 . . . . 59 VAL HG1 . 10080 1 660 . 1 1 59 59 VAL HG13 H 1 0.699 0.030 . 1 . . . . 59 VAL HG1 . 10080 1 661 . 1 1 59 59 VAL HG21 H 1 1.058 0.030 . 1 . . . . 59 VAL HG2 . 10080 1 662 . 1 1 59 59 VAL HG22 H 1 1.058 0.030 . 1 . . . . 59 VAL HG2 . 10080 1 663 . 1 1 59 59 VAL HG23 H 1 1.058 0.030 . 1 . . . . 59 VAL HG2 . 10080 1 664 . 1 1 59 59 VAL C C 13 179.505 0.300 . 1 . . . . 59 VAL C . 10080 1 665 . 1 1 59 59 VAL CA C 13 65.791 0.300 . 1 . . . . 59 VAL CA . 10080 1 666 . 1 1 59 59 VAL CB C 13 31.289 0.300 . 1 . . . . 59 VAL CB . 10080 1 667 . 1 1 59 59 VAL CG1 C 13 21.465 0.300 . 2 . . . . 59 VAL CG1 . 10080 1 668 . 1 1 59 59 VAL CG2 C 13 21.652 0.300 . 2 . . . . 59 VAL CG2 . 10080 1 669 . 1 1 59 59 VAL N N 15 120.113 0.300 . 1 . . . . 59 VAL N . 10080 1 670 . 1 1 60 60 ILE H H 1 8.260 0.030 . 1 . . . . 60 ILE H . 10080 1 671 . 1 1 60 60 ILE HA H 1 3.550 0.030 . 1 . . . . 60 ILE HA . 10080 1 672 . 1 1 60 60 ILE HB H 1 1.721 0.030 . 1 . . . . 60 ILE HB . 10080 1 673 . 1 1 60 60 ILE HG12 H 1 1.415 0.030 . 2 . . . . 60 ILE HG12 . 10080 1 674 . 1 1 60 60 ILE HG13 H 1 1.104 0.030 . 2 . . . . 60 ILE HG13 . 10080 1 675 . 1 1 60 60 ILE HG21 H 1 0.505 0.030 . 1 . . . . 60 ILE HG2 . 10080 1 676 . 1 1 60 60 ILE HG22 H 1 0.505 0.030 . 1 . . . . 60 ILE HG2 . 10080 1 677 . 1 1 60 60 ILE HG23 H 1 0.505 0.030 . 1 . . . . 60 ILE HG2 . 10080 1 678 . 1 1 60 60 ILE HD11 H 1 0.445 0.030 . 1 . . . . 60 ILE HD1 . 10080 1 679 . 1 1 60 60 ILE HD12 H 1 0.445 0.030 . 1 . . . . 60 ILE HD1 . 10080 1 680 . 1 1 60 60 ILE HD13 H 1 0.445 0.030 . 1 . . . . 60 ILE HD1 . 10080 1 681 . 1 1 60 60 ILE C C 13 177.344 0.300 . 1 . . . . 60 ILE C . 10080 1 682 . 1 1 60 60 ILE CA C 13 64.249 0.300 . 1 . . . . 60 ILE CA . 10080 1 683 . 1 1 60 60 ILE CB C 13 37.050 0.300 . 1 . . . . 60 ILE CB . 10080 1 684 . 1 1 60 60 ILE CG1 C 13 28.127 0.300 . 1 . . . . 60 ILE CG1 . 10080 1 685 . 1 1 60 60 ILE CG2 C 13 17.094 0.300 . 1 . . . . 60 ILE CG2 . 10080 1 686 . 1 1 60 60 ILE CD1 C 13 13.620 0.300 . 1 . . . . 60 ILE CD1 . 10080 1 687 . 1 1 60 60 ILE N N 15 122.421 0.300 . 1 . . . . 60 ILE N . 10080 1 688 . 1 1 61 61 ARG H H 1 8.309 0.030 . 1 . . . . 61 ARG H . 10080 1 689 . 1 1 61 61 ARG HA H 1 3.590 0.030 . 1 . . . . 61 ARG HA . 10080 1 690 . 1 1 61 61 ARG HB2 H 1 1.753 0.030 . 2 . . . . 61 ARG HB2 . 10080 1 691 . 1 1 61 61 ARG HB3 H 1 1.647 0.030 . 2 . . . . 61 ARG HB3 . 10080 1 692 . 1 1 61 61 ARG HG2 H 1 1.755 0.030 . 2 . . . . 61 ARG HG2 . 10080 1 693 . 1 1 61 61 ARG HG3 H 1 1.391 0.030 . 2 . . . . 61 ARG HG3 . 10080 1 694 . 1 1 61 61 ARG HD2 H 1 3.101 0.030 . 2 . . . . 61 ARG HD2 . 10080 1 695 . 1 1 61 61 ARG HE H 1 8.050 0.030 . 1 . . . . 61 ARG HE . 10080 1 696 . 1 1 61 61 ARG C C 13 178.958 0.300 . 1 . . . . 61 ARG C . 10080 1 697 . 1 1 61 61 ARG CA C 13 59.837 0.300 . 1 . . . . 61 ARG CA . 10080 1 698 . 1 1 61 61 ARG CB C 13 28.687 0.300 . 1 . . . . 61 ARG CB . 10080 1 699 . 1 1 61 61 ARG CG C 13 28.659 0.300 . 1 . . . . 61 ARG CG . 10080 1 700 . 1 1 61 61 ARG CD C 13 42.372 0.300 . 1 . . . . 61 ARG CD . 10080 1 701 . 1 1 61 61 ARG N N 15 116.328 0.300 . 1 . . . . 61 ARG N . 10080 1 702 . 1 1 61 61 ARG NE N 15 83.407 0.300 . 1 . . . . 61 ARG NE . 10080 1 703 . 1 1 62 62 GLU H H 1 7.624 0.030 . 1 . . . . 62 GLU H . 10080 1 704 . 1 1 62 62 GLU HA H 1 3.999 0.030 . 1 . . . . 62 GLU HA . 10080 1 705 . 1 1 62 62 GLU HB2 H 1 2.091 0.030 . 2 . . . . 62 GLU HB2 . 10080 1 706 . 1 1 62 62 GLU HB3 H 1 2.056 0.030 . 2 . . . . 62 GLU HB3 . 10080 1 707 . 1 1 62 62 GLU HG2 H 1 2.404 0.030 . 2 . . . . 62 GLU HG2 . 10080 1 708 . 1 1 62 62 GLU HG3 H 1 2.292 0.030 . 2 . . . . 62 GLU HG3 . 10080 1 709 . 1 1 62 62 GLU C C 13 178.995 0.300 . 1 . . . . 62 GLU C . 10080 1 710 . 1 1 62 62 GLU CA C 13 58.745 0.300 . 1 . . . . 62 GLU CA . 10080 1 711 . 1 1 62 62 GLU CB C 13 28.637 0.300 . 1 . . . . 62 GLU CB . 10080 1 712 . 1 1 62 62 GLU CG C 13 35.577 0.300 . 1 . . . . 62 GLU CG . 10080 1 713 . 1 1 62 62 GLU N N 15 119.716 0.300 . 1 . . . . 62 GLU N . 10080 1 714 . 1 1 63 63 GLY H H 1 7.861 0.030 . 1 . . . . 63 GLY H . 10080 1 715 . 1 1 63 63 GLY HA2 H 1 3.713 0.030 . 2 . . . . 63 GLY HA2 . 10080 1 716 . 1 1 63 63 GLY HA3 H 1 3.414 0.030 . 2 . . . . 63 GLY HA3 . 10080 1 717 . 1 1 63 63 GLY C C 13 175.365 0.300 . 1 . . . . 63 GLY C . 10080 1 718 . 1 1 63 63 GLY CA C 13 47.537 0.300 . 1 . . . . 63 GLY CA . 10080 1 719 . 1 1 63 63 GLY N N 15 107.839 0.300 . 1 . . . . 63 GLY N . 10080 1 720 . 1 1 64 64 LEU H H 1 7.305 0.030 . 1 . . . . 64 LEU H . 10080 1 721 . 1 1 64 64 LEU HA H 1 2.575 0.030 . 1 . . . . 64 LEU HA . 10080 1 722 . 1 1 64 64 LEU HB2 H 1 0.981 0.030 . 2 . . . . 64 LEU HB2 . 10080 1 723 . 1 1 64 64 LEU HB3 H 1 0.573 0.030 . 2 . . . . 64 LEU HB3 . 10080 1 724 . 1 1 64 64 LEU HG H 1 0.458 0.030 . 1 . . . . 64 LEU HG . 10080 1 725 . 1 1 64 64 LEU HD11 H 1 -0.602 0.030 . 1 . . . . 64 LEU HD1 . 10080 1 726 . 1 1 64 64 LEU HD12 H 1 -0.602 0.030 . 1 . . . . 64 LEU HD1 . 10080 1 727 . 1 1 64 64 LEU HD13 H 1 -0.602 0.030 . 1 . . . . 64 LEU HD1 . 10080 1 728 . 1 1 64 64 LEU HD21 H 1 -0.747 0.030 . 1 . . . . 64 LEU HD2 . 10080 1 729 . 1 1 64 64 LEU HD22 H 1 -0.747 0.030 . 1 . . . . 64 LEU HD2 . 10080 1 730 . 1 1 64 64 LEU HD23 H 1 -0.747 0.030 . 1 . . . . 64 LEU HD2 . 10080 1 731 . 1 1 64 64 LEU C C 13 177.623 0.300 . 1 . . . . 64 LEU C . 10080 1 732 . 1 1 64 64 LEU CA C 13 56.422 0.300 . 1 . . . . 64 LEU CA . 10080 1 733 . 1 1 64 64 LEU CB C 13 41.456 0.300 . 1 . . . . 64 LEU CB . 10080 1 734 . 1 1 64 64 LEU CG C 13 25.442 0.300 . 1 . . . . 64 LEU CG . 10080 1 735 . 1 1 64 64 LEU CD1 C 13 23.614 0.300 . 2 . . . . 64 LEU CD1 . 10080 1 736 . 1 1 64 64 LEU CD2 C 13 22.155 0.300 . 2 . . . . 64 LEU CD2 . 10080 1 737 . 1 1 64 64 LEU N N 15 121.508 0.300 . 1 . . . . 64 LEU N . 10080 1 738 . 1 1 65 65 LYS H H 1 6.958 0.030 . 1 . . . . 65 LYS H . 10080 1 739 . 1 1 65 65 LYS HA H 1 3.973 0.030 . 1 . . . . 65 LYS HA . 10080 1 740 . 1 1 65 65 LYS HB2 H 1 1.663 0.030 . 2 . . . . 65 LYS HB2 . 10080 1 741 . 1 1 65 65 LYS HB3 H 1 1.557 0.030 . 2 . . . . 65 LYS HB3 . 10080 1 742 . 1 1 65 65 LYS HG2 H 1 1.456 0.030 . 2 . . . . 65 LYS HG2 . 10080 1 743 . 1 1 65 65 LYS HG3 H 1 1.298 0.030 . 2 . . . . 65 LYS HG3 . 10080 1 744 . 1 1 65 65 LYS HE2 H 1 2.858 0.030 . 2 . . . . 65 LYS HE2 . 10080 1 745 . 1 1 65 65 LYS C C 13 177.259 0.300 . 1 . . . . 65 LYS C . 10080 1 746 . 1 1 65 65 LYS CA C 13 58.147 0.300 . 1 . . . . 65 LYS CA . 10080 1 747 . 1 1 65 65 LYS CB C 13 31.968 0.300 . 1 . . . . 65 LYS CB . 10080 1 748 . 1 1 65 65 LYS CG C 13 25.591 0.300 . 1 . . . . 65 LYS CG . 10080 1 749 . 1 1 65 65 LYS CD C 13 29.379 0.300 . 1 . . . . 65 LYS CD . 10080 1 750 . 1 1 65 65 LYS CE C 13 42.230 0.300 . 1 . . . . 65 LYS CE . 10080 1 751 . 1 1 65 65 LYS N N 15 115.074 0.300 . 1 . . . . 65 LYS N . 10080 1 752 . 1 1 66 66 HIS H H 1 7.776 0.030 . 1 . . . . 66 HIS H . 10080 1 753 . 1 1 66 66 HIS HA H 1 4.603 0.030 . 1 . . . . 66 HIS HA . 10080 1 754 . 1 1 66 66 HIS HB2 H 1 3.496 0.030 . 2 . . . . 66 HIS HB2 . 10080 1 755 . 1 1 66 66 HIS HB3 H 1 3.130 0.030 . 2 . . . . 66 HIS HB3 . 10080 1 756 . 1 1 66 66 HIS HD2 H 1 7.413 0.030 . 1 . . . . 66 HIS HD2 . 10080 1 757 . 1 1 66 66 HIS HE1 H 1 8.464 0.030 . 1 . . . . 66 HIS HE1 . 10080 1 758 . 1 1 66 66 HIS C C 13 174.333 0.300 . 1 . . . . 66 HIS C . 10080 1 759 . 1 1 66 66 HIS CA C 13 54.610 0.300 . 1 . . . . 66 HIS CA . 10080 1 760 . 1 1 66 66 HIS CB C 13 28.747 0.300 . 1 . . . . 66 HIS CB . 10080 1 761 . 1 1 66 66 HIS CD2 C 13 120.446 0.300 . 1 . . . . 66 HIS CD2 . 10080 1 762 . 1 1 66 66 HIS CE1 C 13 136.518 0.300 . 1 . . . . 66 HIS CE1 . 10080 1 763 . 1 1 66 66 HIS N N 15 114.334 0.300 . 1 . . . . 66 HIS N . 10080 1 764 . 1 1 67 67 VAL H H 1 6.875 0.030 . 1 . . . . 67 VAL H . 10080 1 765 . 1 1 67 67 VAL HA H 1 4.259 0.030 . 1 . . . . 67 VAL HA . 10080 1 766 . 1 1 67 67 VAL HB H 1 2.199 0.030 . 1 . . . . 67 VAL HB . 10080 1 767 . 1 1 67 67 VAL HG11 H 1 0.798 0.030 . 1 . . . . 67 VAL HG1 . 10080 1 768 . 1 1 67 67 VAL HG12 H 1 0.798 0.030 . 1 . . . . 67 VAL HG1 . 10080 1 769 . 1 1 67 67 VAL HG13 H 1 0.798 0.030 . 1 . . . . 67 VAL HG1 . 10080 1 770 . 1 1 67 67 VAL HG21 H 1 0.888 0.030 . 1 . . . . 67 VAL HG2 . 10080 1 771 . 1 1 67 67 VAL HG22 H 1 0.888 0.030 . 1 . . . . 67 VAL HG2 . 10080 1 772 . 1 1 67 67 VAL HG23 H 1 0.888 0.030 . 1 . . . . 67 VAL HG2 . 10080 1 773 . 1 1 67 67 VAL C C 13 176.579 0.300 . 1 . . . . 67 VAL C . 10080 1 774 . 1 1 67 67 VAL CA C 13 62.789 0.300 . 1 . . . . 67 VAL CA . 10080 1 775 . 1 1 67 67 VAL CB C 13 32.451 0.300 . 1 . . . . 67 VAL CB . 10080 1 776 . 1 1 67 67 VAL CG1 C 13 20.183 0.300 . 2 . . . . 67 VAL CG1 . 10080 1 777 . 1 1 67 67 VAL CG2 C 13 22.366 0.300 . 2 . . . . 67 VAL CG2 . 10080 1 778 . 1 1 67 67 VAL N N 15 116.665 0.300 . 1 . . . . 67 VAL N . 10080 1 779 . 1 1 68 68 THR H H 1 8.677 0.030 . 1 . . . . 68 THR H . 10080 1 780 . 1 1 68 68 THR HA H 1 4.488 0.030 . 1 . . . . 68 THR HA . 10080 1 781 . 1 1 68 68 THR HB H 1 4.533 0.030 . 1 . . . . 68 THR HB . 10080 1 782 . 1 1 68 68 THR HG21 H 1 1.344 0.030 . 1 . . . . 68 THR HG2 . 10080 1 783 . 1 1 68 68 THR HG22 H 1 1.344 0.030 . 1 . . . . 68 THR HG2 . 10080 1 784 . 1 1 68 68 THR HG23 H 1 1.344 0.030 . 1 . . . . 68 THR HG2 . 10080 1 785 . 1 1 68 68 THR C C 13 174.309 0.300 . 1 . . . . 68 THR C . 10080 1 786 . 1 1 68 68 THR CA C 13 61.843 0.300 . 1 . . . . 68 THR CA . 10080 1 787 . 1 1 68 68 THR CB C 13 69.954 0.300 . 1 . . . . 68 THR CB . 10080 1 788 . 1 1 68 68 THR CG2 C 13 22.095 0.300 . 1 . . . . 68 THR CG2 . 10080 1 789 . 1 1 68 68 THR N N 15 113.786 0.300 . 1 . . . . 68 THR N . 10080 1 790 . 1 1 69 69 GLU H H 1 7.703 0.030 . 1 . . . . 69 GLU H . 10080 1 791 . 1 1 69 69 GLU HA H 1 4.584 0.030 . 1 . . . . 69 GLU HA . 10080 1 792 . 1 1 69 69 GLU HB2 H 1 2.137 0.030 . 2 . . . . 69 GLU HB2 . 10080 1 793 . 1 1 69 69 GLU HB3 H 1 2.086 0.030 . 2 . . . . 69 GLU HB3 . 10080 1 794 . 1 1 69 69 GLU HG2 H 1 2.397 0.030 . 2 . . . . 69 GLU HG2 . 10080 1 795 . 1 1 69 69 GLU HG3 H 1 2.359 0.030 . 2 . . . . 69 GLU HG3 . 10080 1 796 . 1 1 69 69 GLU C C 13 174.831 0.300 . 1 . . . . 69 GLU C . 10080 1 797 . 1 1 69 69 GLU CA C 13 55.032 0.300 . 1 . . . . 69 GLU CA . 10080 1 798 . 1 1 69 69 GLU CB C 13 32.133 0.300 . 1 . . . . 69 GLU CB . 10080 1 799 . 1 1 69 69 GLU CG C 13 35.383 0.300 . 1 . . . . 69 GLU CG . 10080 1 800 . 1 1 69 69 GLU N N 15 120.412 0.300 . 1 . . . . 69 GLU N . 10080 1 801 . 1 1 70 70 ASP H H 1 8.622 0.030 . 1 . . . . 70 ASP H . 10080 1 802 . 1 1 70 70 ASP HA H 1 5.141 0.030 . 1 . . . . 70 ASP HA . 10080 1 803 . 1 1 70 70 ASP HB2 H 1 2.846 0.030 . 2 . . . . 70 ASP HB2 . 10080 1 804 . 1 1 70 70 ASP HB3 H 1 2.692 0.030 . 2 . . . . 70 ASP HB3 . 10080 1 805 . 1 1 70 70 ASP C C 13 176.700 0.300 . 1 . . . . 70 ASP C . 10080 1 806 . 1 1 70 70 ASP CA C 13 55.006 0.300 . 1 . . . . 70 ASP CA . 10080 1 807 . 1 1 70 70 ASP CB C 13 40.580 0.300 . 1 . . . . 70 ASP CB . 10080 1 808 . 1 1 70 70 ASP N N 15 121.715 0.300 . 1 . . . . 70 ASP N . 10080 1 809 . 1 1 71 71 CYS H H 1 8.270 0.030 . 1 . . . . 71 CYS H . 10080 1 810 . 1 1 71 71 CYS HA H 1 5.416 0.030 . 1 . . . . 71 CYS HA . 10080 1 811 . 1 1 71 71 CYS HB2 H 1 3.250 0.030 . 2 . . . . 71 CYS HB2 . 10080 1 812 . 1 1 71 71 CYS HB3 H 1 3.030 0.030 . 2 . . . . 71 CYS HB3 . 10080 1 813 . 1 1 71 71 CYS C C 13 173.120 0.300 . 1 . . . . 71 CYS C . 10080 1 814 . 1 1 71 71 CYS CA C 13 56.613 0.300 . 1 . . . . 71 CYS CA . 10080 1 815 . 1 1 71 71 CYS CB C 13 31.330 0.300 . 1 . . . . 71 CYS CB . 10080 1 816 . 1 1 71 71 CYS N N 15 116.198 0.300 . 1 . . . . 71 CYS N . 10080 1 817 . 1 1 72 72 VAL H H 1 9.096 0.030 . 1 . . . . 72 VAL H . 10080 1 818 . 1 1 72 72 VAL HA H 1 4.827 0.030 . 1 . . . . 72 VAL HA . 10080 1 819 . 1 1 72 72 VAL HB H 1 1.882 0.030 . 1 . . . . 72 VAL HB . 10080 1 820 . 1 1 72 72 VAL HG11 H 1 0.476 0.030 . 1 . . . . 72 VAL HG1 . 10080 1 821 . 1 1 72 72 VAL HG12 H 1 0.476 0.030 . 1 . . . . 72 VAL HG1 . 10080 1 822 . 1 1 72 72 VAL HG13 H 1 0.476 0.030 . 1 . . . . 72 VAL HG1 . 10080 1 823 . 1 1 72 72 VAL HG21 H 1 0.839 0.030 . 1 . . . . 72 VAL HG2 . 10080 1 824 . 1 1 72 72 VAL HG22 H 1 0.839 0.030 . 1 . . . . 72 VAL HG2 . 10080 1 825 . 1 1 72 72 VAL HG23 H 1 0.839 0.030 . 1 . . . . 72 VAL HG2 . 10080 1 826 . 1 1 72 72 VAL C C 13 173.107 0.300 . 1 . . . . 72 VAL C . 10080 1 827 . 1 1 72 72 VAL CA C 13 60.928 0.300 . 1 . . . . 72 VAL CA . 10080 1 828 . 1 1 72 72 VAL CB C 13 34.652 0.300 . 1 . . . . 72 VAL CB . 10080 1 829 . 1 1 72 72 VAL CG1 C 13 20.628 0.300 . 2 . . . . 72 VAL CG1 . 10080 1 830 . 1 1 72 72 VAL CG2 C 13 22.405 0.300 . 2 . . . . 72 VAL CG2 . 10080 1 831 . 1 1 72 72 VAL N N 15 121.770 0.300 . 1 . . . . 72 VAL N . 10080 1 832 . 1 1 73 73 PHE H H 1 9.381 0.030 . 1 . . . . 73 PHE H . 10080 1 833 . 1 1 73 73 PHE HA H 1 5.842 0.030 . 1 . . . . 73 PHE HA . 10080 1 834 . 1 1 73 73 PHE HB2 H 1 2.989 0.030 . 2 . . . . 73 PHE HB2 . 10080 1 835 . 1 1 73 73 PHE HB3 H 1 2.760 0.030 . 2 . . . . 73 PHE HB3 . 10080 1 836 . 1 1 73 73 PHE HD1 H 1 7.146 0.030 . 1 . . . . 73 PHE HD1 . 10080 1 837 . 1 1 73 73 PHE HD2 H 1 7.146 0.030 . 1 . . . . 73 PHE HD2 . 10080 1 838 . 1 1 73 73 PHE HE1 H 1 7.086 0.030 . 1 . . . . 73 PHE HE1 . 10080 1 839 . 1 1 73 73 PHE HE2 H 1 7.086 0.030 . 1 . . . . 73 PHE HE2 . 10080 1 840 . 1 1 73 73 PHE HZ H 1 6.797 0.030 . 1 . . . . 73 PHE HZ . 10080 1 841 . 1 1 73 73 PHE C C 13 173.544 0.300 . 1 . . . . 73 PHE C . 10080 1 842 . 1 1 73 73 PHE CA C 13 54.590 0.300 . 1 . . . . 73 PHE CA . 10080 1 843 . 1 1 73 73 PHE CB C 13 42.471 0.300 . 1 . . . . 73 PHE CB . 10080 1 844 . 1 1 73 73 PHE CD1 C 13 132.138 0.300 . 1 . . . . 73 PHE CD1 . 10080 1 845 . 1 1 73 73 PHE CD2 C 13 132.138 0.300 . 1 . . . . 73 PHE CD2 . 10080 1 846 . 1 1 73 73 PHE CE1 C 13 130.497 0.300 . 1 . . . . 73 PHE CE1 . 10080 1 847 . 1 1 73 73 PHE CE2 C 13 130.497 0.300 . 1 . . . . 73 PHE CE2 . 10080 1 848 . 1 1 73 73 PHE CZ C 13 128.434 0.300 . 1 . . . . 73 PHE CZ . 10080 1 849 . 1 1 73 73 PHE N N 15 128.531 0.300 . 1 . . . . 73 PHE N . 10080 1 850 . 1 1 74 74 ILE H H 1 9.089 0.030 . 1 . . . . 74 ILE H . 10080 1 851 . 1 1 74 74 ILE HA H 1 4.611 0.030 . 1 . . . . 74 ILE HA . 10080 1 852 . 1 1 74 74 ILE HB H 1 1.513 0.030 . 1 . . . . 74 ILE HB . 10080 1 853 . 1 1 74 74 ILE HG12 H 1 1.466 0.030 . 2 . . . . 74 ILE HG12 . 10080 1 854 . 1 1 74 74 ILE HG13 H 1 0.493 0.030 . 2 . . . . 74 ILE HG13 . 10080 1 855 . 1 1 74 74 ILE HG21 H 1 0.705 0.030 . 1 . . . . 74 ILE HG2 . 10080 1 856 . 1 1 74 74 ILE HG22 H 1 0.705 0.030 . 1 . . . . 74 ILE HG2 . 10080 1 857 . 1 1 74 74 ILE HG23 H 1 0.705 0.030 . 1 . . . . 74 ILE HG2 . 10080 1 858 . 1 1 74 74 ILE HD11 H 1 0.351 0.030 . 1 . . . . 74 ILE HD1 . 10080 1 859 . 1 1 74 74 ILE HD12 H 1 0.351 0.030 . 1 . . . . 74 ILE HD1 . 10080 1 860 . 1 1 74 74 ILE HD13 H 1 0.351 0.030 . 1 . . . . 74 ILE HD1 . 10080 1 861 . 1 1 74 74 ILE C C 13 172.403 0.300 . 1 . . . . 74 ILE C . 10080 1 862 . 1 1 74 74 ILE CA C 13 59.959 0.300 . 1 . . . . 74 ILE CA . 10080 1 863 . 1 1 74 74 ILE CB C 13 39.202 0.300 . 1 . . . . 74 ILE CB . 10080 1 864 . 1 1 74 74 ILE CG1 C 13 27.638 0.300 . 1 . . . . 74 ILE CG1 . 10080 1 865 . 1 1 74 74 ILE CG2 C 13 18.191 0.300 . 1 . . . . 74 ILE CG2 . 10080 1 866 . 1 1 74 74 ILE CD1 C 13 14.269 0.300 . 1 . . . . 74 ILE CD1 . 10080 1 867 . 1 1 74 74 ILE N N 15 126.342 0.300 . 1 . . . . 74 ILE N . 10080 1 868 . 1 1 75 75 TYR H H 1 8.882 0.030 . 1 . . . . 75 TYR H . 10080 1 869 . 1 1 75 75 TYR HA H 1 4.183 0.030 . 1 . . . . 75 TYR HA . 10080 1 870 . 1 1 75 75 TYR HB2 H 1 3.373 0.030 . 2 . . . . 75 TYR HB2 . 10080 1 871 . 1 1 75 75 TYR HB3 H 1 2.537 0.030 . 2 . . . . 75 TYR HB3 . 10080 1 872 . 1 1 75 75 TYR HD1 H 1 7.153 0.030 . 1 . . . . 75 TYR HD1 . 10080 1 873 . 1 1 75 75 TYR HD2 H 1 7.153 0.030 . 1 . . . . 75 TYR HD2 . 10080 1 874 . 1 1 75 75 TYR HE1 H 1 6.732 0.030 . 1 . . . . 75 TYR HE1 . 10080 1 875 . 1 1 75 75 TYR HE2 H 1 6.732 0.030 . 1 . . . . 75 TYR HE2 . 10080 1 876 . 1 1 75 75 TYR C C 13 173.423 0.300 . 1 . . . . 75 TYR C . 10080 1 877 . 1 1 75 75 TYR CA C 13 56.721 0.300 . 1 . . . . 75 TYR CA . 10080 1 878 . 1 1 75 75 TYR CB C 13 38.603 0.300 . 1 . . . . 75 TYR CB . 10080 1 879 . 1 1 75 75 TYR CD1 C 13 132.806 0.300 . 1 . . . . 75 TYR CD1 . 10080 1 880 . 1 1 75 75 TYR CD2 C 13 132.806 0.300 . 1 . . . . 75 TYR CD2 . 10080 1 881 . 1 1 75 75 TYR CE1 C 13 117.918 0.300 . 1 . . . . 75 TYR CE1 . 10080 1 882 . 1 1 75 75 TYR CE2 C 13 117.918 0.300 . 1 . . . . 75 TYR CE2 . 10080 1 883 . 1 1 75 75 TYR N N 15 130.868 0.300 . 1 . . . . 75 TYR N . 10080 1 884 . 1 1 76 76 CYS H H 1 9.011 0.030 . 1 . . . . 76 CYS H . 10080 1 885 . 1 1 76 76 CYS HA H 1 5.116 0.030 . 1 . . . . 76 CYS HA . 10080 1 886 . 1 1 76 76 CYS HB2 H 1 2.460 0.030 . 2 . . . . 76 CYS HB2 . 10080 1 887 . 1 1 76 76 CYS HB3 H 1 1.972 0.030 . 2 . . . . 76 CYS HB3 . 10080 1 888 . 1 1 76 76 CYS C C 13 173.909 0.300 . 1 . . . . 76 CYS C . 10080 1 889 . 1 1 76 76 CYS CA C 13 56.389 0.300 . 1 . . . . 76 CYS CA . 10080 1 890 . 1 1 76 76 CYS CB C 13 28.612 0.300 . 1 . . . . 76 CYS CB . 10080 1 891 . 1 1 76 76 CYS N N 15 128.722 0.300 . 1 . . . . 76 CYS N . 10080 1 892 . 1 1 77 77 GLN H H 1 8.343 0.030 . 1 . . . . 77 GLN H . 10080 1 893 . 1 1 77 77 GLN HA H 1 4.664 0.030 . 1 . . . . 77 GLN HA . 10080 1 894 . 1 1 77 77 GLN HB2 H 1 2.400 0.030 . 2 . . . . 77 GLN HB2 . 10080 1 895 . 1 1 77 77 GLN HB3 H 1 2.133 0.030 . 2 . . . . 77 GLN HB3 . 10080 1 896 . 1 1 77 77 GLN HG2 H 1 2.600 0.030 . 2 . . . . 77 GLN HG2 . 10080 1 897 . 1 1 77 77 GLN HG3 H 1 2.033 0.030 . 2 . . . . 77 GLN HG3 . 10080 1 898 . 1 1 77 77 GLN HE21 H 1 8.047 0.030 . 2 . . . . 77 GLN HE21 . 10080 1 899 . 1 1 77 77 GLN HE22 H 1 7.145 0.030 . 2 . . . . 77 GLN HE22 . 10080 1 900 . 1 1 77 77 GLN C C 13 176.725 0.300 . 1 . . . . 77 GLN C . 10080 1 901 . 1 1 77 77 GLN CA C 13 55.102 0.300 . 1 . . . . 77 GLN CA . 10080 1 902 . 1 1 77 77 GLN CB C 13 30.823 0.300 . 1 . . . . 77 GLN CB . 10080 1 903 . 1 1 77 77 GLN CG C 13 35.561 0.300 . 1 . . . . 77 GLN CG . 10080 1 904 . 1 1 77 77 GLN N N 15 129.163 0.300 . 1 . . . . 77 GLN N . 10080 1 905 . 1 1 77 77 GLN NE2 N 15 113.668 0.300 . 1 . . . . 77 GLN NE2 . 10080 1 906 . 1 1 78 78 VAL H H 1 8.507 0.030 . 1 . . . . 78 VAL H . 10080 1 907 . 1 1 78 78 VAL HA H 1 3.846 0.030 . 1 . . . . 78 VAL HA . 10080 1 908 . 1 1 78 78 VAL HB H 1 1.983 0.030 . 1 . . . . 78 VAL HB . 10080 1 909 . 1 1 78 78 VAL HG11 H 1 0.022 0.030 . 1 . . . . 78 VAL HG1 . 10080 1 910 . 1 1 78 78 VAL HG12 H 1 0.022 0.030 . 1 . . . . 78 VAL HG1 . 10080 1 911 . 1 1 78 78 VAL HG13 H 1 0.022 0.030 . 1 . . . . 78 VAL HG1 . 10080 1 912 . 1 1 78 78 VAL HG21 H 1 0.631 0.030 . 1 . . . . 78 VAL HG2 . 10080 1 913 . 1 1 78 78 VAL HG22 H 1 0.631 0.030 . 1 . . . . 78 VAL HG2 . 10080 1 914 . 1 1 78 78 VAL HG23 H 1 0.631 0.030 . 1 . . . . 78 VAL HG2 . 10080 1 915 . 1 1 78 78 VAL C C 13 174.357 0.300 . 1 . . . . 78 VAL C . 10080 1 916 . 1 1 78 78 VAL CA C 13 62.705 0.300 . 1 . . . . 78 VAL CA . 10080 1 917 . 1 1 78 78 VAL CB C 13 32.129 0.300 . 1 . . . . 78 VAL CB . 10080 1 918 . 1 1 78 78 VAL CG1 C 13 21.195 0.300 . 2 . . . . 78 VAL CG1 . 10080 1 919 . 1 1 78 78 VAL CG2 C 13 18.138 0.300 . 2 . . . . 78 VAL CG2 . 10080 1 920 . 1 1 78 78 VAL N N 15 116.844 0.300 . 1 . . . . 78 VAL N . 10080 1 921 . 1 1 79 79 GLY H H 1 7.093 0.030 . 1 . . . . 79 GLY H . 10080 1 922 . 1 1 79 79 GLY HA2 H 1 3.847 0.030 . 2 . . . . 79 GLY HA2 . 10080 1 923 . 1 1 79 79 GLY HA3 H 1 4.724 0.030 . 2 . . . . 79 GLY HA3 . 10080 1 924 . 1 1 79 79 GLY C C 13 173.994 0.300 . 1 . . . . 79 GLY C . 10080 1 925 . 1 1 79 79 GLY CA C 13 43.789 0.300 . 1 . . . . 79 GLY CA . 10080 1 926 . 1 1 79 79 GLY N N 15 103.469 0.300 . 1 . . . . 79 GLY N . 10080 1 927 . 1 1 80 80 ASP H H 1 8.639 0.030 . 1 . . . . 80 ASP H . 10080 1 928 . 1 1 80 80 ASP HA H 1 4.689 0.030 . 1 . . . . 80 ASP HA . 10080 1 929 . 1 1 80 80 ASP HB2 H 1 3.085 0.030 . 2 . . . . 80 ASP HB2 . 10080 1 930 . 1 1 80 80 ASP HB3 H 1 2.890 0.030 . 2 . . . . 80 ASP HB3 . 10080 1 931 . 1 1 80 80 ASP C C 13 173.787 0.300 . 1 . . . . 80 ASP C . 10080 1 932 . 1 1 80 80 ASP CA C 13 53.519 0.300 . 1 . . . . 80 ASP CA . 10080 1 933 . 1 1 80 80 ASP CB C 13 41.078 0.300 . 1 . . . . 80 ASP CB . 10080 1 934 . 1 1 80 80 ASP N N 15 121.425 0.300 . 1 . . . . 80 ASP N . 10080 1 935 . 1 1 81 81 LYS H H 1 7.861 0.030 . 1 . . . . 81 LYS H . 10080 1 936 . 1 1 81 81 LYS HA H 1 2.956 0.030 . 1 . . . . 81 LYS HA . 10080 1 937 . 1 1 81 81 LYS HB2 H 1 1.382 0.030 . 2 . . . . 81 LYS HB2 . 10080 1 938 . 1 1 81 81 LYS HB3 H 1 0.339 0.030 . 2 . . . . 81 LYS HB3 . 10080 1 939 . 1 1 81 81 LYS HG2 H 1 0.775 0.030 . 2 . . . . 81 LYS HG2 . 10080 1 940 . 1 1 81 81 LYS HG3 H 1 0.427 0.030 . 2 . . . . 81 LYS HG3 . 10080 1 941 . 1 1 81 81 LYS HD2 H 1 1.536 0.030 . 2 . . . . 81 LYS HD2 . 10080 1 942 . 1 1 81 81 LYS C C 13 174.625 0.300 . 1 . . . . 81 LYS C . 10080 1 943 . 1 1 81 81 LYS CA C 13 61.926 0.300 . 1 . . . . 81 LYS CA . 10080 1 944 . 1 1 81 81 LYS CB C 13 29.886 0.300 . 1 . . . . 81 LYS CB . 10080 1 945 . 1 1 81 81 LYS CG C 13 25.165 0.300 . 1 . . . . 81 LYS CG . 10080 1 946 . 1 1 81 81 LYS CD C 13 29.770 0.300 . 1 . . . . 81 LYS CD . 10080 1 947 . 1 1 81 81 LYS N N 15 118.803 0.300 . 1 . . . . 81 LYS N . 10080 1 948 . 1 1 82 82 PRO HA H 1 4.073 0.030 . 1 . . . . 82 PRO HA . 10080 1 949 . 1 1 82 82 PRO HB2 H 1 2.237 0.030 . 2 . . . . 82 PRO HB2 . 10080 1 950 . 1 1 82 82 PRO HB3 H 1 1.851 0.030 . 2 . . . . 82 PRO HB3 . 10080 1 951 . 1 1 82 82 PRO HG2 H 1 2.115 0.030 . 2 . . . . 82 PRO HG2 . 10080 1 952 . 1 1 82 82 PRO HG3 H 1 1.833 0.030 . 2 . . . . 82 PRO HG3 . 10080 1 953 . 1 1 82 82 PRO HD2 H 1 3.573 0.030 . 2 . . . . 82 PRO HD2 . 10080 1 954 . 1 1 82 82 PRO HD3 H 1 3.473 0.030 . 2 . . . . 82 PRO HD3 . 10080 1 955 . 1 1 82 82 PRO CA C 13 66.067 0.300 . 1 . . . . 82 PRO CA . 10080 1 956 . 1 1 82 82 PRO CB C 13 30.451 0.300 . 1 . . . . 82 PRO CB . 10080 1 957 . 1 1 82 82 PRO CG C 13 28.292 0.300 . 1 . . . . 82 PRO CG . 10080 1 958 . 1 1 82 82 PRO CD C 13 49.397 0.300 . 1 . . . . 82 PRO CD . 10080 1 959 . 1 1 83 83 TYR H H 1 7.588 0.030 . 1 . . . . 83 TYR H . 10080 1 960 . 1 1 83 83 TYR HA H 1 4.267 0.030 . 1 . . . . 83 TYR HA . 10080 1 961 . 1 1 83 83 TYR HB2 H 1 3.397 0.030 . 2 . . . . 83 TYR HB2 . 10080 1 962 . 1 1 83 83 TYR HB3 H 1 3.278 0.030 . 2 . . . . 83 TYR HB3 . 10080 1 963 . 1 1 83 83 TYR HD1 H 1 7.342 0.030 . 1 . . . . 83 TYR HD1 . 10080 1 964 . 1 1 83 83 TYR HD2 H 1 7.342 0.030 . 1 . . . . 83 TYR HD2 . 10080 1 965 . 1 1 83 83 TYR HE1 H 1 7.236 0.030 . 1 . . . . 83 TYR HE1 . 10080 1 966 . 1 1 83 83 TYR HE2 H 1 7.236 0.030 . 1 . . . . 83 TYR HE2 . 10080 1 967 . 1 1 83 83 TYR C C 13 177.769 0.300 . 1 . . . . 83 TYR C . 10080 1 968 . 1 1 83 83 TYR CA C 13 61.403 0.300 . 1 . . . . 83 TYR CA . 10080 1 969 . 1 1 83 83 TYR CB C 13 38.723 0.300 . 1 . . . . 83 TYR CB . 10080 1 970 . 1 1 83 83 TYR CD1 C 13 133.747 0.300 . 1 . . . . 83 TYR CD1 . 10080 1 971 . 1 1 83 83 TYR CD2 C 13 133.747 0.300 . 1 . . . . 83 TYR CD2 . 10080 1 972 . 1 1 83 83 TYR CE1 C 13 119.199 0.300 . 1 . . . . 83 TYR CE1 . 10080 1 973 . 1 1 83 83 TYR CE2 C 13 119.199 0.300 . 1 . . . . 83 TYR CE2 . 10080 1 974 . 1 1 83 83 TYR N N 15 118.006 0.300 . 1 . . . . 83 TYR N . 10080 1 975 . 1 1 84 84 TRP H H 1 8.632 0.030 . 1 . . . . 84 TRP H . 10080 1 976 . 1 1 84 84 TRP HA H 1 4.328 0.030 . 1 . . . . 84 TRP HA . 10080 1 977 . 1 1 84 84 TRP HB2 H 1 3.431 0.030 . 2 . . . . 84 TRP HB2 . 10080 1 978 . 1 1 84 84 TRP HB3 H 1 3.307 0.030 . 2 . . . . 84 TRP HB3 . 10080 1 979 . 1 1 84 84 TRP HD1 H 1 7.318 0.030 . 1 . . . . 84 TRP HD1 . 10080 1 980 . 1 1 84 84 TRP HE1 H 1 10.041 0.030 . 1 . . . . 84 TRP HE1 . 10080 1 981 . 1 1 84 84 TRP HE3 H 1 7.345 0.030 . 1 . . . . 84 TRP HE3 . 10080 1 982 . 1 1 84 84 TRP HZ2 H 1 6.729 0.030 . 1 . . . . 84 TRP HZ2 . 10080 1 983 . 1 1 84 84 TRP HH2 H 1 6.651 0.030 . 1 . . . . 84 TRP HH2 . 10080 1 984 . 1 1 84 84 TRP C C 13 177.332 0.300 . 1 . . . . 84 TRP C . 10080 1 985 . 1 1 84 84 TRP CA C 13 58.573 0.300 . 1 . . . . 84 TRP CA . 10080 1 986 . 1 1 84 84 TRP CB C 13 30.772 0.300 . 1 . . . . 84 TRP CB . 10080 1 987 . 1 1 84 84 TRP CD1 C 13 126.466 0.300 . 1 . . . . 84 TRP CD1 . 10080 1 988 . 1 1 84 84 TRP CE3 C 13 120.456 0.300 . 1 . . . . 84 TRP CE3 . 10080 1 989 . 1 1 84 84 TRP CZ2 C 13 114.243 0.300 . 1 . . . . 84 TRP CZ2 . 10080 1 990 . 1 1 84 84 TRP CZ3 C 13 120.429 0.300 . 1 . . . . 84 TRP CZ3 . 10080 1 991 . 1 1 84 84 TRP CH2 C 13 124.179 0.300 . 1 . . . . 84 TRP CH2 . 10080 1 992 . 1 1 84 84 TRP N N 15 119.162 0.300 . 1 . . . . 84 TRP N . 10080 1 993 . 1 1 84 84 TRP NE1 N 15 128.289 0.300 . 1 . . . . 84 TRP NE1 . 10080 1 994 . 1 1 85 85 LYS H H 1 8.329 0.030 . 1 . . . . 85 LYS H . 10080 1 995 . 1 1 85 85 LYS HA H 1 3.472 0.030 . 1 . . . . 85 LYS HA . 10080 1 996 . 1 1 85 85 LYS HB2 H 1 1.742 0.030 . 2 . . . . 85 LYS HB2 . 10080 1 997 . 1 1 85 85 LYS HB3 H 1 1.707 0.030 . 2 . . . . 85 LYS HB3 . 10080 1 998 . 1 1 85 85 LYS HG2 H 1 1.518 0.030 . 2 . . . . 85 LYS HG2 . 10080 1 999 . 1 1 85 85 LYS HG3 H 1 1.435 0.030 . 2 . . . . 85 LYS HG3 . 10080 1 1000 . 1 1 85 85 LYS HE2 H 1 2.946 0.030 . 2 . . . . 85 LYS HE2 . 10080 1 1001 . 1 1 85 85 LYS C C 13 176.093 0.300 . 1 . . . . 85 LYS C . 10080 1 1002 . 1 1 85 85 LYS CA C 13 57.166 0.300 . 1 . . . . 85 LYS CA . 10080 1 1003 . 1 1 85 85 LYS CB C 13 31.968 0.300 . 1 . . . . 85 LYS CB . 10080 1 1004 . 1 1 85 85 LYS CG C 13 25.096 0.300 . 1 . . . . 85 LYS CG . 10080 1 1005 . 1 1 85 85 LYS CD C 13 28.638 0.300 . 1 . . . . 85 LYS CD . 10080 1 1006 . 1 1 85 85 LYS CE C 13 41.901 0.300 . 1 . . . . 85 LYS CE . 10080 1 1007 . 1 1 85 85 LYS N N 15 115.760 0.300 . 1 . . . . 85 LYS N . 10080 1 1008 . 1 1 86 86 ASP H H 1 6.942 0.030 . 1 . . . . 86 ASP H . 10080 1 1009 . 1 1 86 86 ASP HA H 1 4.535 0.030 . 1 . . . . 86 ASP HA . 10080 1 1010 . 1 1 86 86 ASP HB2 H 1 3.009 0.030 . 2 . . . . 86 ASP HB2 . 10080 1 1011 . 1 1 86 86 ASP HB3 H 1 2.560 0.030 . 2 . . . . 86 ASP HB3 . 10080 1 1012 . 1 1 86 86 ASP C C 13 175.912 0.300 . 1 . . . . 86 ASP C . 10080 1 1013 . 1 1 86 86 ASP CA C 13 51.530 0.300 . 1 . . . . 86 ASP CA . 10080 1 1014 . 1 1 86 86 ASP CB C 13 41.381 0.300 . 1 . . . . 86 ASP CB . 10080 1 1015 . 1 1 86 86 ASP N N 15 121.591 0.300 . 1 . . . . 86 ASP N . 10080 1 1016 . 1 1 87 87 PRO HA H 1 3.896 0.030 . 1 . . . . 87 PRO HA . 10080 1 1017 . 1 1 87 87 PRO HB2 H 1 2.198 0.030 . 2 . . . . 87 PRO HB2 . 10080 1 1018 . 1 1 87 87 PRO HB3 H 1 1.821 0.030 . 2 . . . . 87 PRO HB3 . 10080 1 1019 . 1 1 87 87 PRO HG2 H 1 1.919 0.030 . 2 . . . . 87 PRO HG2 . 10080 1 1020 . 1 1 87 87 PRO HG3 H 1 1.833 0.030 . 2 . . . . 87 PRO HG3 . 10080 1 1021 . 1 1 87 87 PRO HD2 H 1 3.987 0.030 . 2 . . . . 87 PRO HD2 . 10080 1 1022 . 1 1 87 87 PRO HD3 H 1 3.868 0.030 . 2 . . . . 87 PRO HD3 . 10080 1 1023 . 1 1 87 87 PRO C C 13 176.737 0.300 . 1 . . . . 87 PRO C . 10080 1 1024 . 1 1 87 87 PRO CA C 13 63.696 0.300 . 1 . . . . 87 PRO CA . 10080 1 1025 . 1 1 87 87 PRO CB C 13 32.388 0.300 . 1 . . . . 87 PRO CB . 10080 1 1026 . 1 1 87 87 PRO CG C 13 26.854 0.300 . 1 . . . . 87 PRO CG . 10080 1 1027 . 1 1 87 87 PRO CD C 13 51.242 0.300 . 1 . . . . 87 PRO CD . 10080 1 1028 . 1 1 88 88 ASN H H 1 8.437 0.030 . 1 . . . . 88 ASN H . 10080 1 1029 . 1 1 88 88 ASN HA H 1 4.666 0.030 . 1 . . . . 88 ASN HA . 10080 1 1030 . 1 1 88 88 ASN HB2 H 1 2.864 0.030 . 2 . . . . 88 ASN HB2 . 10080 1 1031 . 1 1 88 88 ASN HB3 H 1 2.592 0.030 . 2 . . . . 88 ASN HB3 . 10080 1 1032 . 1 1 88 88 ASN HD21 H 1 7.783 0.030 . 2 . . . . 88 ASN HD21 . 10080 1 1033 . 1 1 88 88 ASN HD22 H 1 6.864 0.030 . 2 . . . . 88 ASN HD22 . 10080 1 1034 . 1 1 88 88 ASN C C 13 174.819 0.300 . 1 . . . . 88 ASN C . 10080 1 1035 . 1 1 88 88 ASN CA C 13 52.375 0.300 . 1 . . . . 88 ASN CA . 10080 1 1036 . 1 1 88 88 ASN CB C 13 39.135 0.300 . 1 . . . . 88 ASN CB . 10080 1 1037 . 1 1 88 88 ASN N N 15 114.581 0.300 . 1 . . . . 88 ASN N . 10080 1 1038 . 1 1 88 88 ASN ND2 N 15 114.599 0.300 . 1 . . . . 88 ASN ND2 . 10080 1 1039 . 1 1 89 89 ASN H H 1 7.187 0.030 . 1 . . . . 89 ASN H . 10080 1 1040 . 1 1 89 89 ASN HA H 1 4.344 0.030 . 1 . . . . 89 ASN HA . 10080 1 1041 . 1 1 89 89 ASN HB2 H 1 2.749 0.030 . 2 . . . . 89 ASN HB2 . 10080 1 1042 . 1 1 89 89 ASN HB3 H 1 2.256 0.030 . 2 . . . . 89 ASN HB3 . 10080 1 1043 . 1 1 89 89 ASN HD21 H 1 6.995 0.030 . 1 . . . . 89 ASN HD21 . 10080 1 1044 . 1 1 89 89 ASN HD22 H 1 6.995 0.030 . 1 . . . . 89 ASN HD22 . 10080 1 1045 . 1 1 89 89 ASN C C 13 174.868 0.300 . 1 . . . . 89 ASN C . 10080 1 1046 . 1 1 89 89 ASN CA C 13 54.047 0.300 . 1 . . . . 89 ASN CA . 10080 1 1047 . 1 1 89 89 ASN CB C 13 37.663 0.300 . 1 . . . . 89 ASN CB . 10080 1 1048 . 1 1 89 89 ASN N N 15 118.496 0.300 . 1 . . . . 89 ASN N . 10080 1 1049 . 1 1 89 89 ASN ND2 N 15 116.799 0.300 . 1 . . . . 89 ASN ND2 . 10080 1 1050 . 1 1 90 90 ASP H H 1 8.075 0.030 . 1 . . . . 90 ASP H . 10080 1 1051 . 1 1 90 90 ASP HA H 1 4.085 0.030 . 1 . . . . 90 ASP HA . 10080 1 1052 . 1 1 90 90 ASP HB2 H 1 1.660 0.030 . 2 . . . . 90 ASP HB2 . 10080 1 1053 . 1 1 90 90 ASP HB3 H 1 1.080 0.030 . 2 . . . . 90 ASP HB3 . 10080 1 1054 . 1 1 90 90 ASP C C 13 178.703 0.300 . 1 . . . . 90 ASP C . 10080 1 1055 . 1 1 90 90 ASP CA C 13 58.053 0.300 . 1 . . . . 90 ASP CA . 10080 1 1056 . 1 1 90 90 ASP CB C 13 41.410 0.300 . 1 . . . . 90 ASP CB . 10080 1 1057 . 1 1 90 90 ASP N N 15 117.347 0.300 . 1 . . . . 90 ASP N . 10080 1 1058 . 1 1 91 91 PHE H H 1 8.090 0.030 . 1 . . . . 91 PHE H . 10080 1 1059 . 1 1 91 91 PHE HA H 1 3.980 0.030 . 1 . . . . 91 PHE HA . 10080 1 1060 . 1 1 91 91 PHE HB2 H 1 3.635 0.030 . 2 . . . . 91 PHE HB2 . 10080 1 1061 . 1 1 91 91 PHE HB3 H 1 2.950 0.030 . 2 . . . . 91 PHE HB3 . 10080 1 1062 . 1 1 91 91 PHE HD1 H 1 7.451 0.030 . 1 . . . . 91 PHE HD1 . 10080 1 1063 . 1 1 91 91 PHE HD2 H 1 7.451 0.030 . 1 . . . . 91 PHE HD2 . 10080 1 1064 . 1 1 91 91 PHE HE1 H 1 7.687 0.030 . 1 . . . . 91 PHE HE1 . 10080 1 1065 . 1 1 91 91 PHE HE2 H 1 7.687 0.030 . 1 . . . . 91 PHE HE2 . 10080 1 1066 . 1 1 91 91 PHE HZ H 1 6.906 0.030 . 1 . . . . 91 PHE HZ . 10080 1 1067 . 1 1 91 91 PHE C C 13 178.315 0.300 . 1 . . . . 91 PHE C . 10080 1 1068 . 1 1 91 91 PHE CA C 13 63.434 0.300 . 1 . . . . 91 PHE CA . 10080 1 1069 . 1 1 91 91 PHE CB C 13 38.842 0.300 . 1 . . . . 91 PHE CB . 10080 1 1070 . 1 1 91 91 PHE CD1 C 13 131.927 0.300 . 1 . . . . 91 PHE CD1 . 10080 1 1071 . 1 1 91 91 PHE CD2 C 13 131.927 0.300 . 1 . . . . 91 PHE CD2 . 10080 1 1072 . 1 1 91 91 PHE CE1 C 13 132.681 0.300 . 1 . . . . 91 PHE CE1 . 10080 1 1073 . 1 1 91 91 PHE CE2 C 13 132.681 0.300 . 1 . . . . 91 PHE CE2 . 10080 1 1074 . 1 1 91 91 PHE CZ C 13 129.573 0.300 . 1 . . . . 91 PHE CZ . 10080 1 1075 . 1 1 91 91 PHE N N 15 117.005 0.300 . 1 . . . . 91 PHE N . 10080 1 1076 . 1 1 92 92 ARG H H 1 7.667 0.030 . 1 . . . . 92 ARG H . 10080 1 1077 . 1 1 92 92 ARG HA H 1 4.253 0.030 . 1 . . . . 92 ARG HA . 10080 1 1078 . 1 1 92 92 ARG HB2 H 1 1.541 0.030 . 2 . . . . 92 ARG HB2 . 10080 1 1079 . 1 1 92 92 ARG HB3 H 1 1.419 0.030 . 2 . . . . 92 ARG HB3 . 10080 1 1080 . 1 1 92 92 ARG HG2 H 1 1.640 0.030 . 2 . . . . 92 ARG HG2 . 10080 1 1081 . 1 1 92 92 ARG HG3 H 1 1.070 0.030 . 2 . . . . 92 ARG HG3 . 10080 1 1082 . 1 1 92 92 ARG HD2 H 1 2.845 0.030 . 2 . . . . 92 ARG HD2 . 10080 1 1083 . 1 1 92 92 ARG HD3 H 1 2.827 0.030 . 2 . . . . 92 ARG HD3 . 10080 1 1084 . 1 1 92 92 ARG HE H 1 5.707 0.030 . 1 . . . . 92 ARG HE . 10080 1 1085 . 1 1 92 92 ARG C C 13 179.942 0.300 . 1 . . . . 92 ARG C . 10080 1 1086 . 1 1 92 92 ARG CA C 13 58.798 0.300 . 1 . . . . 92 ARG CA . 10080 1 1087 . 1 1 92 92 ARG CB C 13 30.649 0.300 . 1 . . . . 92 ARG CB . 10080 1 1088 . 1 1 92 92 ARG CG C 13 27.364 0.300 . 1 . . . . 92 ARG CG . 10080 1 1089 . 1 1 92 92 ARG CD C 13 43.947 0.300 . 1 . . . . 92 ARG CD . 10080 1 1090 . 1 1 92 92 ARG N N 15 119.529 0.300 . 1 . . . . 92 ARG N . 10080 1 1091 . 1 1 92 92 ARG NE N 15 81.430 0.300 . 1 . . . . 92 ARG NE . 10080 1 1092 . 1 1 93 93 GLN H H 1 8.142 0.030 . 1 . . . . 93 GLN H . 10080 1 1093 . 1 1 93 93 GLN HA H 1 3.994 0.030 . 1 . . . . 93 GLN HA . 10080 1 1094 . 1 1 93 93 GLN HB2 H 1 2.091 0.030 . 2 . . . . 93 GLN HB2 . 10080 1 1095 . 1 1 93 93 GLN HB3 H 1 1.795 0.030 . 2 . . . . 93 GLN HB3 . 10080 1 1096 . 1 1 93 93 GLN HG2 H 1 2.320 0.030 . 2 . . . . 93 GLN HG2 . 10080 1 1097 . 1 1 93 93 GLN HG3 H 1 2.208 0.030 . 2 . . . . 93 GLN HG3 . 10080 1 1098 . 1 1 93 93 GLN HE21 H 1 7.411 0.030 . 2 . . . . 93 GLN HE21 . 10080 1 1099 . 1 1 93 93 GLN HE22 H 1 6.801 0.030 . 2 . . . . 93 GLN HE22 . 10080 1 1100 . 1 1 93 93 GLN C C 13 177.696 0.300 . 1 . . . . 93 GLN C . 10080 1 1101 . 1 1 93 93 GLN CA C 13 58.077 0.300 . 1 . . . . 93 GLN CA . 10080 1 1102 . 1 1 93 93 GLN CB C 13 29.639 0.300 . 1 . . . . 93 GLN CB . 10080 1 1103 . 1 1 93 93 GLN CG C 13 33.615 0.300 . 1 . . . . 93 GLN CG . 10080 1 1104 . 1 1 93 93 GLN N N 15 114.397 0.300 . 1 . . . . 93 GLN N . 10080 1 1105 . 1 1 93 93 GLN NE2 N 15 113.198 0.300 . 1 . . . . 93 GLN NE2 . 10080 1 1106 . 1 1 94 94 LYS H H 1 8.361 0.030 . 1 . . . . 94 LYS H . 10080 1 1107 . 1 1 94 94 LYS HA H 1 4.378 0.030 . 1 . . . . 94 LYS HA . 10080 1 1108 . 1 1 94 94 LYS HB2 H 1 1.821 0.030 . 2 . . . . 94 LYS HB2 . 10080 1 1109 . 1 1 94 94 LYS HG2 H 1 1.265 0.030 . 2 . . . . 94 LYS HG2 . 10080 1 1110 . 1 1 94 94 LYS HG3 H 1 1.225 0.030 . 2 . . . . 94 LYS HG3 . 10080 1 1111 . 1 1 94 94 LYS HD2 H 1 1.483 0.030 . 2 . . . . 94 LYS HD2 . 10080 1 1112 . 1 1 94 94 LYS HD3 H 1 1.079 0.030 . 2 . . . . 94 LYS HD3 . 10080 1 1113 . 1 1 94 94 LYS HE2 H 1 2.796 0.030 . 2 . . . . 94 LYS HE2 . 10080 1 1114 . 1 1 94 94 LYS C C 13 178.145 0.300 . 1 . . . . 94 LYS C . 10080 1 1115 . 1 1 94 94 LYS CA C 13 58.006 0.300 . 1 . . . . 94 LYS CA . 10080 1 1116 . 1 1 94 94 LYS CB C 13 32.463 0.300 . 1 . . . . 94 LYS CB . 10080 1 1117 . 1 1 94 94 LYS CG C 13 26.111 0.300 . 1 . . . . 94 LYS CG . 10080 1 1118 . 1 1 94 94 LYS CD C 13 29.347 0.300 . 1 . . . . 94 LYS CD . 10080 1 1119 . 1 1 94 94 LYS CE C 13 42.230 0.300 . 1 . . . . 94 LYS CE . 10080 1 1120 . 1 1 94 94 LYS N N 15 115.041 0.300 . 1 . . . . 94 LYS N . 10080 1 1121 . 1 1 95 95 LEU H H 1 6.716 0.030 . 1 . . . . 95 LEU H . 10080 1 1122 . 1 1 95 95 LEU HA H 1 4.652 0.030 . 1 . . . . 95 LEU HA . 10080 1 1123 . 1 1 95 95 LEU HB2 H 1 2.088 0.030 . 2 . . . . 95 LEU HB2 . 10080 1 1124 . 1 1 95 95 LEU HB3 H 1 1.818 0.030 . 2 . . . . 95 LEU HB3 . 10080 1 1125 . 1 1 95 95 LEU HG H 1 1.865 0.030 . 1 . . . . 95 LEU HG . 10080 1 1126 . 1 1 95 95 LEU HD11 H 1 1.171 0.030 . 1 . . . . 95 LEU HD1 . 10080 1 1127 . 1 1 95 95 LEU HD12 H 1 1.171 0.030 . 1 . . . . 95 LEU HD1 . 10080 1 1128 . 1 1 95 95 LEU HD13 H 1 1.171 0.030 . 1 . . . . 95 LEU HD1 . 10080 1 1129 . 1 1 95 95 LEU HD21 H 1 1.226 0.030 . 1 . . . . 95 LEU HD2 . 10080 1 1130 . 1 1 95 95 LEU HD22 H 1 1.226 0.030 . 1 . . . . 95 LEU HD2 . 10080 1 1131 . 1 1 95 95 LEU HD23 H 1 1.226 0.030 . 1 . . . . 95 LEU HD2 . 10080 1 1132 . 1 1 95 95 LEU C C 13 175.754 0.300 . 1 . . . . 95 LEU C . 10080 1 1133 . 1 1 95 95 LEU CA C 13 54.187 0.300 . 1 . . . . 95 LEU CA . 10080 1 1134 . 1 1 95 95 LEU CB C 13 44.383 0.300 . 1 . . . . 95 LEU CB . 10080 1 1135 . 1 1 95 95 LEU CG C 13 27.601 0.300 . 1 . . . . 95 LEU CG . 10080 1 1136 . 1 1 95 95 LEU CD1 C 13 27.292 0.300 . 2 . . . . 95 LEU CD1 . 10080 1 1137 . 1 1 95 95 LEU CD2 C 13 24.156 0.300 . 2 . . . . 95 LEU CD2 . 10080 1 1138 . 1 1 95 95 LEU N N 15 115.718 0.300 . 1 . . . . 95 LEU N . 10080 1 1139 . 1 1 96 96 LYS H H 1 6.947 0.030 . 1 . . . . 96 LYS H . 10080 1 1140 . 1 1 96 96 LYS HA H 1 4.019 0.030 . 1 . . . . 96 LYS HA . 10080 1 1141 . 1 1 96 96 LYS HB2 H 1 2.100 0.030 . 2 . . . . 96 LYS HB2 . 10080 1 1142 . 1 1 96 96 LYS HB3 H 1 1.910 0.030 . 2 . . . . 96 LYS HB3 . 10080 1 1143 . 1 1 96 96 LYS HG2 H 1 1.311 0.030 . 2 . . . . 96 LYS HG2 . 10080 1 1144 . 1 1 96 96 LYS HG3 H 1 1.183 0.030 . 2 . . . . 96 LYS HG3 . 10080 1 1145 . 1 1 96 96 LYS HD2 H 1 1.602 0.030 . 2 . . . . 96 LYS HD2 . 10080 1 1146 . 1 1 96 96 LYS HD3 H 1 1.552 0.030 . 2 . . . . 96 LYS HD3 . 10080 1 1147 . 1 1 96 96 LYS HE2 H 1 2.946 0.030 . 2 . . . . 96 LYS HE2 . 10080 1 1148 . 1 1 96 96 LYS C C 13 175.790 0.300 . 1 . . . . 96 LYS C . 10080 1 1149 . 1 1 96 96 LYS CA C 13 56.870 0.300 . 1 . . . . 96 LYS CA . 10080 1 1150 . 1 1 96 96 LYS CB C 13 28.220 0.300 . 1 . . . . 96 LYS CB . 10080 1 1151 . 1 1 96 96 LYS CG C 13 24.766 0.300 . 1 . . . . 96 LYS CG . 10080 1 1152 . 1 1 96 96 LYS CD C 13 28.733 0.300 . 1 . . . . 96 LYS CD . 10080 1 1153 . 1 1 96 96 LYS CE C 13 42.725 0.300 . 1 . . . . 96 LYS CE . 10080 1 1154 . 1 1 96 96 LYS N N 15 112.205 0.300 . 1 . . . . 96 LYS N . 10080 1 1155 . 1 1 97 97 ILE H H 1 7.578 0.030 . 1 . . . . 97 ILE H . 10080 1 1156 . 1 1 97 97 ILE HA H 1 4.279 0.030 . 1 . . . . 97 ILE HA . 10080 1 1157 . 1 1 97 97 ILE HB H 1 1.751 0.030 . 1 . . . . 97 ILE HB . 10080 1 1158 . 1 1 97 97 ILE HG12 H 1 1.156 0.030 . 2 . . . . 97 ILE HG12 . 10080 1 1159 . 1 1 97 97 ILE HG13 H 1 0.530 0.030 . 2 . . . . 97 ILE HG13 . 10080 1 1160 . 1 1 97 97 ILE HG21 H 1 0.626 0.030 . 1 . . . . 97 ILE HG2 . 10080 1 1161 . 1 1 97 97 ILE HG22 H 1 0.626 0.030 . 1 . . . . 97 ILE HG2 . 10080 1 1162 . 1 1 97 97 ILE HG23 H 1 0.626 0.030 . 1 . . . . 97 ILE HG2 . 10080 1 1163 . 1 1 97 97 ILE HD11 H 1 0.184 0.030 . 1 . . . . 97 ILE HD1 . 10080 1 1164 . 1 1 97 97 ILE HD12 H 1 0.184 0.030 . 1 . . . . 97 ILE HD1 . 10080 1 1165 . 1 1 97 97 ILE HD13 H 1 0.184 0.030 . 1 . . . . 97 ILE HD1 . 10080 1 1166 . 1 1 97 97 ILE C C 13 175.936 0.300 . 1 . . . . 97 ILE C . 10080 1 1167 . 1 1 97 97 ILE CA C 13 59.361 0.300 . 1 . . . . 97 ILE CA . 10080 1 1168 . 1 1 97 97 ILE CB C 13 36.542 0.300 . 1 . . . . 97 ILE CB . 10080 1 1169 . 1 1 97 97 ILE CG1 C 13 26.130 0.300 . 1 . . . . 97 ILE CG1 . 10080 1 1170 . 1 1 97 97 ILE CG2 C 13 17.480 0.300 . 1 . . . . 97 ILE CG2 . 10080 1 1171 . 1 1 97 97 ILE CD1 C 13 10.801 0.300 . 1 . . . . 97 ILE CD1 . 10080 1 1172 . 1 1 97 97 ILE N N 15 118.252 0.300 . 1 . . . . 97 ILE N . 10080 1 1173 . 1 1 98 98 THR H H 1 8.251 0.030 . 1 . . . . 98 THR H . 10080 1 1174 . 1 1 98 98 THR HA H 1 4.489 0.030 . 1 . . . . 98 THR HA . 10080 1 1175 . 1 1 98 98 THR HB H 1 4.452 0.030 . 1 . . . . 98 THR HB . 10080 1 1176 . 1 1 98 98 THR HG21 H 1 1.076 0.030 . 1 . . . . 98 THR HG2 . 10080 1 1177 . 1 1 98 98 THR HG22 H 1 1.076 0.030 . 1 . . . . 98 THR HG2 . 10080 1 1178 . 1 1 98 98 THR HG23 H 1 1.076 0.030 . 1 . . . . 98 THR HG2 . 10080 1 1179 . 1 1 98 98 THR C C 13 174.285 0.300 . 1 . . . . 98 THR C . 10080 1 1180 . 1 1 98 98 THR CA C 13 61.262 0.300 . 1 . . . . 98 THR CA . 10080 1 1181 . 1 1 98 98 THR CB C 13 69.707 0.300 . 1 . . . . 98 THR CB . 10080 1 1182 . 1 1 98 98 THR CG2 C 13 21.664 0.300 . 1 . . . . 98 THR CG2 . 10080 1 1183 . 1 1 98 98 THR N N 15 112.549 0.300 . 1 . . . . 98 THR N . 10080 1 1184 . 1 1 99 99 ALA H H 1 7.740 0.030 . 1 . . . . 99 ALA H . 10080 1 1185 . 1 1 99 99 ALA HA H 1 4.977 0.030 . 1 . . . . 99 ALA HA . 10080 1 1186 . 1 1 99 99 ALA HB1 H 1 1.365 0.030 . 1 . . . . 99 ALA HB . 10080 1 1187 . 1 1 99 99 ALA HB2 H 1 1.365 0.030 . 1 . . . . 99 ALA HB . 10080 1 1188 . 1 1 99 99 ALA HB3 H 1 1.365 0.030 . 1 . . . . 99 ALA HB . 10080 1 1189 . 1 1 99 99 ALA C C 13 175.535 0.300 . 1 . . . . 99 ALA C . 10080 1 1190 . 1 1 99 99 ALA CA C 13 52.050 0.300 . 1 . . . . 99 ALA CA . 10080 1 1191 . 1 1 99 99 ALA CB C 13 23.136 0.300 . 1 . . . . 99 ALA CB . 10080 1 1192 . 1 1 99 99 ALA N N 15 123.047 0.300 . 1 . . . . 99 ALA N . 10080 1 1193 . 1 1 100 100 VAL H H 1 8.055 0.030 . 1 . . . . 100 VAL H . 10080 1 1194 . 1 1 100 100 VAL HA H 1 4.201 0.030 . 1 . . . . 100 VAL HA . 10080 1 1195 . 1 1 100 100 VAL HB H 1 1.195 0.030 . 1 . . . . 100 VAL HB . 10080 1 1196 . 1 1 100 100 VAL HG11 H 1 -0.422 0.030 . 1 . . . . 100 VAL HG1 . 10080 1 1197 . 1 1 100 100 VAL HG12 H 1 -0.422 0.030 . 1 . . . . 100 VAL HG1 . 10080 1 1198 . 1 1 100 100 VAL HG13 H 1 -0.422 0.030 . 1 . . . . 100 VAL HG1 . 10080 1 1199 . 1 1 100 100 VAL HG21 H 1 -0.056 0.030 . 1 . . . . 100 VAL HG2 . 10080 1 1200 . 1 1 100 100 VAL HG22 H 1 -0.056 0.030 . 1 . . . . 100 VAL HG2 . 10080 1 1201 . 1 1 100 100 VAL HG23 H 1 -0.056 0.030 . 1 . . . . 100 VAL HG2 . 10080 1 1202 . 1 1 100 100 VAL C C 13 172.343 0.300 . 1 . . . . 100 VAL C . 10080 1 1203 . 1 1 100 100 VAL CA C 13 57.573 0.300 . 1 . . . . 100 VAL CA . 10080 1 1204 . 1 1 100 100 VAL CB C 13 33.290 0.300 . 1 . . . . 100 VAL CB . 10080 1 1205 . 1 1 100 100 VAL CG1 C 13 21.691 0.300 . 2 . . . . 100 VAL CG1 . 10080 1 1206 . 1 1 100 100 VAL CG2 C 13 16.893 0.300 . 2 . . . . 100 VAL CG2 . 10080 1 1207 . 1 1 100 100 VAL N N 15 112.190 0.300 . 1 . . . . 100 VAL N . 10080 1 1208 . 1 1 101 101 PRO HA H 1 4.951 0.030 . 1 . . . . 101 PRO HA . 10080 1 1209 . 1 1 101 101 PRO HB2 H 1 2.732 0.030 . 2 . . . . 101 PRO HB2 . 10080 1 1210 . 1 1 101 101 PRO HB3 H 1 2.355 0.030 . 2 . . . . 101 PRO HB3 . 10080 1 1211 . 1 1 101 101 PRO HG2 H 1 2.119 0.030 . 2 . . . . 101 PRO HG2 . 10080 1 1212 . 1 1 101 101 PRO HG3 H 1 1.590 0.030 . 2 . . . . 101 PRO HG3 . 10080 1 1213 . 1 1 101 101 PRO HD2 H 1 3.620 0.030 . 2 . . . . 101 PRO HD2 . 10080 1 1214 . 1 1 101 101 PRO HD3 H 1 3.228 0.030 . 2 . . . . 101 PRO HD3 . 10080 1 1215 . 1 1 101 101 PRO C C 13 176.276 0.300 . 1 . . . . 101 PRO C . 10080 1 1216 . 1 1 101 101 PRO CA C 13 62.054 0.300 . 1 . . . . 101 PRO CA . 10080 1 1217 . 1 1 101 101 PRO CB C 13 35.428 0.300 . 1 . . . . 101 PRO CB . 10080 1 1218 . 1 1 101 101 PRO CG C 13 23.631 0.300 . 1 . . . . 101 PRO CG . 10080 1 1219 . 1 1 101 101 PRO CD C 13 51.045 0.300 . 1 . . . . 101 PRO CD . 10080 1 1220 . 1 1 102 102 THR H H 1 7.670 0.030 . 1 . . . . 102 THR H . 10080 1 1221 . 1 1 102 102 THR HA H 1 5.212 0.030 . 1 . . . . 102 THR HA . 10080 1 1222 . 1 1 102 102 THR HB H 1 3.991 0.030 . 1 . . . . 102 THR HB . 10080 1 1223 . 1 1 102 102 THR HG21 H 1 1.343 0.030 . 1 . . . . 102 THR HG2 . 10080 1 1224 . 1 1 102 102 THR HG22 H 1 1.343 0.030 . 1 . . . . 102 THR HG2 . 10080 1 1225 . 1 1 102 102 THR HG23 H 1 1.343 0.030 . 1 . . . . 102 THR HG2 . 10080 1 1226 . 1 1 102 102 THR C C 13 171.869 0.300 . 1 . . . . 102 THR C . 10080 1 1227 . 1 1 102 102 THR CA C 13 63.744 0.300 . 1 . . . . 102 THR CA . 10080 1 1228 . 1 1 102 102 THR CB C 13 74.675 0.300 . 1 . . . . 102 THR CB . 10080 1 1229 . 1 1 102 102 THR CG2 C 13 22.100 0.300 . 1 . . . . 102 THR CG2 . 10080 1 1230 . 1 1 102 102 THR N N 15 115.064 0.300 . 1 . . . . 102 THR N . 10080 1 1231 . 1 1 103 103 LEU H H 1 9.326 0.030 . 1 . . . . 103 LEU H . 10080 1 1232 . 1 1 103 103 LEU HA H 1 5.755 0.030 . 1 . . . . 103 LEU HA . 10080 1 1233 . 1 1 103 103 LEU HB2 H 1 1.973 0.030 . 2 . . . . 103 LEU HB2 . 10080 1 1234 . 1 1 103 103 LEU HB3 H 1 1.509 0.030 . 2 . . . . 103 LEU HB3 . 10080 1 1235 . 1 1 103 103 LEU HG H 1 1.469 0.030 . 1 . . . . 103 LEU HG . 10080 1 1236 . 1 1 103 103 LEU HD11 H 1 1.128 0.030 . 1 . . . . 103 LEU HD1 . 10080 1 1237 . 1 1 103 103 LEU HD12 H 1 1.128 0.030 . 1 . . . . 103 LEU HD1 . 10080 1 1238 . 1 1 103 103 LEU HD13 H 1 1.128 0.030 . 1 . . . . 103 LEU HD1 . 10080 1 1239 . 1 1 103 103 LEU HD21 H 1 0.665 0.030 . 1 . . . . 103 LEU HD2 . 10080 1 1240 . 1 1 103 103 LEU HD22 H 1 0.665 0.030 . 1 . . . . 103 LEU HD2 . 10080 1 1241 . 1 1 103 103 LEU HD23 H 1 0.665 0.030 . 1 . . . . 103 LEU HD2 . 10080 1 1242 . 1 1 103 103 LEU C C 13 173.374 0.300 . 1 . . . . 103 LEU C . 10080 1 1243 . 1 1 103 103 LEU CA C 13 53.730 0.300 . 1 . . . . 103 LEU CA . 10080 1 1244 . 1 1 103 103 LEU CB C 13 46.257 0.300 . 1 . . . . 103 LEU CB . 10080 1 1245 . 1 1 103 103 LEU CG C 13 28.175 0.300 . 1 . . . . 103 LEU CG . 10080 1 1246 . 1 1 103 103 LEU CD1 C 13 23.088 0.300 . 2 . . . . 103 LEU CD1 . 10080 1 1247 . 1 1 103 103 LEU CD2 C 13 27.020 0.300 . 2 . . . . 103 LEU CD2 . 10080 1 1248 . 1 1 103 103 LEU N N 15 129.298 0.300 . 1 . . . . 103 LEU N . 10080 1 1249 . 1 1 104 104 LEU H H 1 9.917 0.030 . 1 . . . . 104 LEU H . 10080 1 1250 . 1 1 104 104 LEU HA H 1 5.165 0.030 . 1 . . . . 104 LEU HA . 10080 1 1251 . 1 1 104 104 LEU HB2 H 1 2.185 0.030 . 2 . . . . 104 LEU HB2 . 10080 1 1252 . 1 1 104 104 LEU HB3 H 1 1.814 0.030 . 2 . . . . 104 LEU HB3 . 10080 1 1253 . 1 1 104 104 LEU HG H 1 1.793 0.030 . 1 . . . . 104 LEU HG . 10080 1 1254 . 1 1 104 104 LEU HD11 H 1 1.184 0.030 . 1 . . . . 104 LEU HD1 . 10080 1 1255 . 1 1 104 104 LEU HD12 H 1 1.184 0.030 . 1 . . . . 104 LEU HD1 . 10080 1 1256 . 1 1 104 104 LEU HD13 H 1 1.184 0.030 . 1 . . . . 104 LEU HD1 . 10080 1 1257 . 1 1 104 104 LEU HD21 H 1 1.234 0.030 . 1 . . . . 104 LEU HD2 . 10080 1 1258 . 1 1 104 104 LEU HD22 H 1 1.234 0.030 . 1 . . . . 104 LEU HD2 . 10080 1 1259 . 1 1 104 104 LEU HD23 H 1 1.234 0.030 . 1 . . . . 104 LEU HD2 . 10080 1 1260 . 1 1 104 104 LEU C C 13 175.402 0.300 . 1 . . . . 104 LEU C . 10080 1 1261 . 1 1 104 104 LEU CA C 13 53.870 0.300 . 1 . . . . 104 LEU CA . 10080 1 1262 . 1 1 104 104 LEU CB C 13 47.743 0.300 . 1 . . . . 104 LEU CB . 10080 1 1263 . 1 1 104 104 LEU CG C 13 27.391 0.300 . 1 . . . . 104 LEU CG . 10080 1 1264 . 1 1 104 104 LEU CD1 C 13 24.112 0.300 . 2 . . . . 104 LEU CD1 . 10080 1 1265 . 1 1 104 104 LEU CD2 C 13 26.619 0.300 . 2 . . . . 104 LEU CD2 . 10080 1 1266 . 1 1 104 104 LEU N N 15 126.613 0.300 . 1 . . . . 104 LEU N . 10080 1 1267 . 1 1 105 105 LYS H H 1 8.209 0.030 . 1 . . . . 105 LYS H . 10080 1 1268 . 1 1 105 105 LYS HA H 1 4.825 0.030 . 1 . . . . 105 LYS HA . 10080 1 1269 . 1 1 105 105 LYS HB2 H 1 2.213 0.030 . 2 . . . . 105 LYS HB2 . 10080 1 1270 . 1 1 105 105 LYS HB3 H 1 1.383 0.030 . 2 . . . . 105 LYS HB3 . 10080 1 1271 . 1 1 105 105 LYS HG2 H 1 1.124 0.030 . 2 . . . . 105 LYS HG2 . 10080 1 1272 . 1 1 105 105 LYS HG3 H 1 0.664 0.030 . 2 . . . . 105 LYS HG3 . 10080 1 1273 . 1 1 105 105 LYS HD2 H 1 1.810 0.030 . 2 . . . . 105 LYS HD2 . 10080 1 1274 . 1 1 105 105 LYS HD3 H 1 1.774 0.030 . 2 . . . . 105 LYS HD3 . 10080 1 1275 . 1 1 105 105 LYS HE2 H 1 2.955 0.030 . 2 . . . . 105 LYS HE2 . 10080 1 1276 . 1 1 105 105 LYS HE3 H 1 2.829 0.030 . 2 . . . . 105 LYS HE3 . 10080 1 1277 . 1 1 105 105 LYS C C 13 175.232 0.300 . 1 . . . . 105 LYS C . 10080 1 1278 . 1 1 105 105 LYS CA C 13 56.035 0.300 . 1 . . . . 105 LYS CA . 10080 1 1279 . 1 1 105 105 LYS CB C 13 32.170 0.300 . 1 . . . . 105 LYS CB . 10080 1 1280 . 1 1 105 105 LYS CG C 13 24.959 0.300 . 1 . . . . 105 LYS CG . 10080 1 1281 . 1 1 105 105 LYS CD C 13 30.046 0.300 . 1 . . . . 105 LYS CD . 10080 1 1282 . 1 1 105 105 LYS CE C 13 42.225 0.300 . 1 . . . . 105 LYS CE . 10080 1 1283 . 1 1 105 105 LYS N N 15 126.756 0.300 . 1 . . . . 105 LYS N . 10080 1 1284 . 1 1 106 106 TYR H H 1 8.755 0.030 . 1 . . . . 106 TYR H . 10080 1 1285 . 1 1 106 106 TYR HA H 1 4.035 0.030 . 1 . . . . 106 TYR HA . 10080 1 1286 . 1 1 106 106 TYR HB2 H 1 3.149 0.030 . 2 . . . . 106 TYR HB2 . 10080 1 1287 . 1 1 106 106 TYR HB3 H 1 2.760 0.030 . 2 . . . . 106 TYR HB3 . 10080 1 1288 . 1 1 106 106 TYR HD1 H 1 7.149 0.030 . 1 . . . . 106 TYR HD1 . 10080 1 1289 . 1 1 106 106 TYR HD2 H 1 7.149 0.030 . 1 . . . . 106 TYR HD2 . 10080 1 1290 . 1 1 106 106 TYR HE1 H 1 6.991 0.030 . 1 . . . . 106 TYR HE1 . 10080 1 1291 . 1 1 106 106 TYR HE2 H 1 6.991 0.030 . 1 . . . . 106 TYR HE2 . 10080 1 1292 . 1 1 106 106 TYR C C 13 176.155 0.300 . 1 . . . . 106 TYR C . 10080 1 1293 . 1 1 106 106 TYR CA C 13 61.772 0.300 . 1 . . . . 106 TYR CA . 10080 1 1294 . 1 1 106 106 TYR CB C 13 39.671 0.300 . 1 . . . . 106 TYR CB . 10080 1 1295 . 1 1 106 106 TYR CD1 C 13 132.592 0.300 . 1 . . . . 106 TYR CD1 . 10080 1 1296 . 1 1 106 106 TYR CD2 C 13 132.592 0.300 . 1 . . . . 106 TYR CD2 . 10080 1 1297 . 1 1 106 106 TYR CE1 C 13 118.801 0.300 . 1 . . . . 106 TYR CE1 . 10080 1 1298 . 1 1 106 106 TYR CE2 C 13 118.801 0.300 . 1 . . . . 106 TYR CE2 . 10080 1 1299 . 1 1 106 106 TYR N N 15 130.583 0.300 . 1 . . . . 106 TYR N . 10080 1 1300 . 1 1 107 107 GLY H H 1 8.612 0.030 . 1 . . . . 107 GLY H . 10080 1 1301 . 1 1 107 107 GLY HA2 H 1 4.153 0.030 . 2 . . . . 107 GLY HA2 . 10080 1 1302 . 1 1 107 107 GLY HA3 H 1 3.451 0.030 . 2 . . . . 107 GLY HA3 . 10080 1 1303 . 1 1 107 107 GLY C C 13 173.544 0.300 . 1 . . . . 107 GLY C . 10080 1 1304 . 1 1 107 107 GLY CA C 13 44.835 0.300 . 1 . . . . 107 GLY CA . 10080 1 1305 . 1 1 107 107 GLY N N 15 114.986 0.300 . 1 . . . . 107 GLY N . 10080 1 1306 . 1 1 108 108 THR H H 1 7.944 0.030 . 1 . . . . 108 THR H . 10080 1 1307 . 1 1 108 108 THR HA H 1 5.212 0.030 . 1 . . . . 108 THR HA . 10080 1 1308 . 1 1 108 108 THR HB H 1 4.587 0.030 . 1 . . . . 108 THR HB . 10080 1 1309 . 1 1 108 108 THR HG21 H 1 1.109 0.030 . 1 . . . . 108 THR HG2 . 10080 1 1310 . 1 1 108 108 THR HG22 H 1 1.109 0.030 . 1 . . . . 108 THR HG2 . 10080 1 1311 . 1 1 108 108 THR HG23 H 1 1.109 0.030 . 1 . . . . 108 THR HG2 . 10080 1 1312 . 1 1 108 108 THR C C 13 173.435 0.300 . 1 . . . . 108 THR C . 10080 1 1313 . 1 1 108 108 THR CA C 13 59.627 0.300 . 1 . . . . 108 THR CA . 10080 1 1314 . 1 1 108 108 THR CB C 13 70.333 0.300 . 1 . . . . 108 THR CB . 10080 1 1315 . 1 1 108 108 THR CG2 C 13 20.844 0.300 . 1 . . . . 108 THR CG2 . 10080 1 1316 . 1 1 108 108 THR N N 15 111.599 0.300 . 1 . . . . 108 THR N . 10080 1 1317 . 1 1 109 109 PRO HA H 1 4.702 0.030 . 1 . . . . 109 PRO HA . 10080 1 1318 . 1 1 109 109 PRO HB2 H 1 2.377 0.030 . 2 . . . . 109 PRO HB2 . 10080 1 1319 . 1 1 109 109 PRO HB3 H 1 2.091 0.030 . 2 . . . . 109 PRO HB3 . 10080 1 1320 . 1 1 109 109 PRO HG2 H 1 2.005 0.030 . 1 . . . . 109 PRO HG2 . 10080 1 1321 . 1 1 109 109 PRO HG3 H 1 2.005 0.030 . 1 . . . . 109 PRO HG3 . 10080 1 1322 . 1 1 109 109 PRO HD2 H 1 3.916 0.030 . 2 . . . . 109 PRO HD2 . 10080 1 1323 . 1 1 109 109 PRO HD3 H 1 3.821 0.030 . 2 . . . . 109 PRO HD3 . 10080 1 1324 . 1 1 109 109 PRO C C 13 177.247 0.300 . 1 . . . . 109 PRO C . 10080 1 1325 . 1 1 109 109 PRO CA C 13 62.582 0.300 . 1 . . . . 109 PRO CA . 10080 1 1326 . 1 1 109 109 PRO CB C 13 31.869 0.300 . 1 . . . . 109 PRO CB . 10080 1 1327 . 1 1 109 109 PRO CG C 13 27.297 0.300 . 1 . . . . 109 PRO CG . 10080 1 1328 . 1 1 109 109 PRO CD C 13 50.771 0.300 . 1 . . . . 109 PRO CD . 10080 1 1329 . 1 1 110 110 GLN H H 1 8.431 0.030 . 1 . . . . 110 GLN H . 10080 1 1330 . 1 1 110 110 GLN HA H 1 4.333 0.030 . 1 . . . . 110 GLN HA . 10080 1 1331 . 1 1 110 110 GLN HB2 H 1 2.240 0.030 . 2 . . . . 110 GLN HB2 . 10080 1 1332 . 1 1 110 110 GLN HB3 H 1 1.975 0.030 . 2 . . . . 110 GLN HB3 . 10080 1 1333 . 1 1 110 110 GLN HG2 H 1 2.377 0.030 . 2 . . . . 110 GLN HG2 . 10080 1 1334 . 1 1 110 110 GLN HE21 H 1 7.547 0.030 . 2 . . . . 110 GLN HE21 . 10080 1 1335 . 1 1 110 110 GLN HE22 H 1 7.076 0.030 . 2 . . . . 110 GLN HE22 . 10080 1 1336 . 1 1 110 110 GLN C C 13 174.030 0.300 . 1 . . . . 110 GLN C . 10080 1 1337 . 1 1 110 110 GLN CA C 13 57.126 0.300 . 1 . . . . 110 GLN CA . 10080 1 1338 . 1 1 110 110 GLN CB C 13 29.245 0.300 . 1 . . . . 110 GLN CB . 10080 1 1339 . 1 1 110 110 GLN CG C 13 34.442 0.300 . 1 . . . . 110 GLN CG . 10080 1 1340 . 1 1 110 110 GLN N N 15 119.645 0.300 . 1 . . . . 110 GLN N . 10080 1 1341 . 1 1 110 110 GLN NE2 N 15 111.535 0.300 . 1 . . . . 110 GLN NE2 . 10080 1 1342 . 1 1 111 111 LYS H H 1 8.068 0.030 . 1 . . . . 111 LYS H . 10080 1 1343 . 1 1 111 111 LYS HA H 1 5.317 0.030 . 1 . . . . 111 LYS HA . 10080 1 1344 . 1 1 111 111 LYS HB2 H 1 1.926 0.030 . 2 . . . . 111 LYS HB2 . 10080 1 1345 . 1 1 111 111 LYS HB3 H 1 1.657 0.030 . 2 . . . . 111 LYS HB3 . 10080 1 1346 . 1 1 111 111 LYS HG2 H 1 1.422 0.030 . 2 . . . . 111 LYS HG2 . 10080 1 1347 . 1 1 111 111 LYS HG3 H 1 1.228 0.030 . 2 . . . . 111 LYS HG3 . 10080 1 1348 . 1 1 111 111 LYS HD2 H 1 1.598 0.030 . 1 . . . . 111 LYS HD2 . 10080 1 1349 . 1 1 111 111 LYS HD3 H 1 1.598 0.030 . 1 . . . . 111 LYS HD3 . 10080 1 1350 . 1 1 111 111 LYS HE2 H 1 2.966 0.030 . 2 . . . . 111 LYS HE2 . 10080 1 1351 . 1 1 111 111 LYS C C 13 173.921 0.300 . 1 . . . . 111 LYS C . 10080 1 1352 . 1 1 111 111 LYS CA C 13 54.694 0.300 . 1 . . . . 111 LYS CA . 10080 1 1353 . 1 1 111 111 LYS CB C 13 36.509 0.300 . 1 . . . . 111 LYS CB . 10080 1 1354 . 1 1 111 111 LYS CG C 13 23.278 0.300 . 1 . . . . 111 LYS CG . 10080 1 1355 . 1 1 111 111 LYS CD C 13 29.874 0.300 . 1 . . . . 111 LYS CD . 10080 1 1356 . 1 1 111 111 LYS CE C 13 42.148 0.300 . 1 . . . . 111 LYS CE . 10080 1 1357 . 1 1 111 111 LYS N N 15 122.137 0.300 . 1 . . . . 111 LYS N . 10080 1 1358 . 1 1 112 112 LEU H H 1 9.318 0.030 . 1 . . . . 112 LEU H . 10080 1 1359 . 1 1 112 112 LEU HA H 1 4.987 0.030 . 1 . . . . 112 LEU HA . 10080 1 1360 . 1 1 112 112 LEU HB2 H 1 1.851 0.030 . 2 . . . . 112 LEU HB2 . 10080 1 1361 . 1 1 112 112 LEU HB3 H 1 1.288 0.030 . 2 . . . . 112 LEU HB3 . 10080 1 1362 . 1 1 112 112 LEU HG H 1 1.536 0.030 . 1 . . . . 112 LEU HG . 10080 1 1363 . 1 1 112 112 LEU HD11 H 1 0.729 0.030 . 1 . . . . 112 LEU HD1 . 10080 1 1364 . 1 1 112 112 LEU HD12 H 1 0.729 0.030 . 1 . . . . 112 LEU HD1 . 10080 1 1365 . 1 1 112 112 LEU HD13 H 1 0.729 0.030 . 1 . . . . 112 LEU HD1 . 10080 1 1366 . 1 1 112 112 LEU HD21 H 1 0.900 0.030 . 1 . . . . 112 LEU HD2 . 10080 1 1367 . 1 1 112 112 LEU HD22 H 1 0.900 0.030 . 1 . . . . 112 LEU HD2 . 10080 1 1368 . 1 1 112 112 LEU HD23 H 1 0.900 0.030 . 1 . . . . 112 LEU HD2 . 10080 1 1369 . 1 1 112 112 LEU C C 13 175.814 0.300 . 1 . . . . 112 LEU C . 10080 1 1370 . 1 1 112 112 LEU CA C 13 53.078 0.300 . 1 . . . . 112 LEU CA . 10080 1 1371 . 1 1 112 112 LEU CB C 13 45.386 0.300 . 1 . . . . 112 LEU CB . 10080 1 1372 . 1 1 112 112 LEU CG C 13 27.002 0.300 . 1 . . . . 112 LEU CG . 10080 1 1373 . 1 1 112 112 LEU CD1 C 13 27.068 0.300 . 2 . . . . 112 LEU CD1 . 10080 1 1374 . 1 1 112 112 LEU CD2 C 13 23.167 0.300 . 2 . . . . 112 LEU CD2 . 10080 1 1375 . 1 1 112 112 LEU N N 15 122.479 0.300 . 1 . . . . 112 LEU N . 10080 1 1376 . 1 1 113 113 VAL H H 1 9.487 0.030 . 1 . . . . 113 VAL H . 10080 1 1377 . 1 1 113 113 VAL HA H 1 4.815 0.030 . 1 . . . . 113 VAL HA . 10080 1 1378 . 1 1 113 113 VAL HB H 1 1.957 0.030 . 1 . . . . 113 VAL HB . 10080 1 1379 . 1 1 113 113 VAL HG11 H 1 0.999 0.030 . 1 . . . . 113 VAL HG1 . 10080 1 1380 . 1 1 113 113 VAL HG12 H 1 0.999 0.030 . 1 . . . . 113 VAL HG1 . 10080 1 1381 . 1 1 113 113 VAL HG13 H 1 0.999 0.030 . 1 . . . . 113 VAL HG1 . 10080 1 1382 . 1 1 113 113 VAL HG21 H 1 0.941 0.030 . 1 . . . . 113 VAL HG2 . 10080 1 1383 . 1 1 113 113 VAL HG22 H 1 0.941 0.030 . 1 . . . . 113 VAL HG2 . 10080 1 1384 . 1 1 113 113 VAL HG23 H 1 0.941 0.030 . 1 . . . . 113 VAL HG2 . 10080 1 1385 . 1 1 113 113 VAL C C 13 176.033 0.300 . 1 . . . . 113 VAL C . 10080 1 1386 . 1 1 113 113 VAL CA C 13 60.488 0.300 . 1 . . . . 113 VAL CA . 10080 1 1387 . 1 1 113 113 VAL CB C 13 35.905 0.300 . 1 . . . . 113 VAL CB . 10080 1 1388 . 1 1 113 113 VAL CG1 C 13 22.114 0.300 . 2 . . . . 113 VAL CG1 . 10080 1 1389 . 1 1 113 113 VAL CG2 C 13 20.400 0.300 . 2 . . . . 113 VAL CG2 . 10080 1 1390 . 1 1 113 113 VAL N N 15 119.098 0.300 . 1 . . . . 113 VAL N . 10080 1 1391 . 1 1 114 114 GLU H H 1 9.086 0.030 . 1 . . . . 114 GLU H . 10080 1 1392 . 1 1 114 114 GLU HA H 1 3.379 0.030 . 1 . . . . 114 GLU HA . 10080 1 1393 . 1 1 114 114 GLU HB2 H 1 2.378 0.030 . 2 . . . . 114 GLU HB2 . 10080 1 1394 . 1 1 114 114 GLU HB3 H 1 2.209 0.030 . 2 . . . . 114 GLU HB3 . 10080 1 1395 . 1 1 114 114 GLU HG2 H 1 2.192 0.030 . 1 . . . . 114 GLU HG2 . 10080 1 1396 . 1 1 114 114 GLU HG3 H 1 2.192 0.030 . 1 . . . . 114 GLU HG3 . 10080 1 1397 . 1 1 114 114 GLU C C 13 176.919 0.300 . 1 . . . . 114 GLU C . 10080 1 1398 . 1 1 114 114 GLU CA C 13 58.903 0.300 . 1 . . . . 114 GLU CA . 10080 1 1399 . 1 1 114 114 GLU CB C 13 28.398 0.300 . 1 . . . . 114 GLU CB . 10080 1 1400 . 1 1 114 114 GLU CG C 13 38.441 0.300 . 1 . . . . 114 GLU CG . 10080 1 1401 . 1 1 114 114 GLU N N 15 122.904 0.300 . 1 . . . . 114 GLU N . 10080 1 1402 . 1 1 115 115 SER H H 1 8.289 0.030 . 1 . . . . 115 SER H . 10080 1 1403 . 1 1 115 115 SER HA H 1 4.244 0.030 . 1 . . . . 115 SER HA . 10080 1 1404 . 1 1 115 115 SER HB2 H 1 4.065 0.030 . 1 . . . . 115 SER HB2 . 10080 1 1405 . 1 1 115 115 SER HB3 H 1 4.065 0.030 . 1 . . . . 115 SER HB3 . 10080 1 1406 . 1 1 115 115 SER C C 13 177.441 0.300 . 1 . . . . 115 SER C . 10080 1 1407 . 1 1 115 115 SER CA C 13 61.916 0.300 . 1 . . . . 115 SER CA . 10080 1 1408 . 1 1 115 115 SER CB C 13 62.652 0.300 . 1 . . . . 115 SER CB . 10080 1 1409 . 1 1 115 115 SER N N 15 117.721 0.300 . 1 . . . . 115 SER N . 10080 1 1410 . 1 1 116 116 GLU H H 1 8.101 0.030 . 1 . . . . 116 GLU H . 10080 1 1411 . 1 1 116 116 GLU HA H 1 4.037 0.030 . 1 . . . . 116 GLU HA . 10080 1 1412 . 1 1 116 116 GLU HB2 H 1 2.266 0.030 . 2 . . . . 116 GLU HB2 . 10080 1 1413 . 1 1 116 116 GLU HB3 H 1 2.074 0.030 . 2 . . . . 116 GLU HB3 . 10080 1 1414 . 1 1 116 116 GLU HG2 H 1 2.623 0.030 . 2 . . . . 116 GLU HG2 . 10080 1 1415 . 1 1 116 116 GLU HG3 H 1 2.163 0.030 . 2 . . . . 116 GLU HG3 . 10080 1 1416 . 1 1 116 116 GLU C C 13 178.546 0.300 . 1 . . . . 116 GLU C . 10080 1 1417 . 1 1 116 116 GLU CA C 13 59.502 0.300 . 1 . . . . 116 GLU CA . 10080 1 1418 . 1 1 116 116 GLU CB C 13 31.419 0.300 . 1 . . . . 116 GLU CB . 10080 1 1419 . 1 1 116 116 GLU CG C 13 36.614 0.300 . 1 . . . . 116 GLU CG . 10080 1 1420 . 1 1 116 116 GLU N N 15 122.972 0.300 . 1 . . . . 116 GLU N . 10080 1 1421 . 1 1 117 117 CYS H H 1 7.631 0.030 . 1 . . . . 117 CYS H . 10080 1 1422 . 1 1 117 117 CYS HA H 1 3.770 0.030 . 1 . . . . 117 CYS HA . 10080 1 1423 . 1 1 117 117 CYS HB2 H 1 2.865 0.030 . 1 . . . . 117 CYS HB2 . 10080 1 1424 . 1 1 117 117 CYS HB3 H 1 2.865 0.030 . 1 . . . . 117 CYS HB3 . 10080 1 1425 . 1 1 117 117 CYS C C 13 171.323 0.300 . 1 . . . . 117 CYS C . 10080 1 1426 . 1 1 117 117 CYS CA C 13 61.575 0.300 . 1 . . . . 117 CYS CA . 10080 1 1427 . 1 1 117 117 CYS CB C 13 27.912 0.300 . 1 . . . . 117 CYS CB . 10080 1 1428 . 1 1 117 117 CYS N N 15 110.263 0.300 . 1 . . . . 117 CYS N . 10080 1 1429 . 1 1 118 118 CYS H H 1 7.141 0.030 . 1 . . . . 118 CYS H . 10080 1 1430 . 1 1 118 118 CYS HA H 1 4.377 0.030 . 1 . . . . 118 CYS HA . 10080 1 1431 . 1 1 118 118 CYS HB2 H 1 3.159 0.030 . 2 . . . . 118 CYS HB2 . 10080 1 1432 . 1 1 118 118 CYS HB3 H 1 3.028 0.030 . 2 . . . . 118 CYS HB3 . 10080 1 1433 . 1 1 118 118 CYS C C 13 174.212 0.300 . 1 . . . . 118 CYS C . 10080 1 1434 . 1 1 118 118 CYS CA C 13 57.021 0.300 . 1 . . . . 118 CYS CA . 10080 1 1435 . 1 1 118 118 CYS CB C 13 27.912 0.300 . 1 . . . . 118 CYS CB . 10080 1 1436 . 1 1 118 118 CYS N N 15 108.639 0.300 . 1 . . . . 118 CYS N . 10080 1 1437 . 1 1 119 119 GLN H H 1 7.287 0.030 . 1 . . . . 119 GLN H . 10080 1 1438 . 1 1 119 119 GLN HA H 1 4.594 0.030 . 1 . . . . 119 GLN HA . 10080 1 1439 . 1 1 119 119 GLN HB2 H 1 2.268 0.030 . 2 . . . . 119 GLN HB2 . 10080 1 1440 . 1 1 119 119 GLN HB3 H 1 2.189 0.030 . 2 . . . . 119 GLN HB3 . 10080 1 1441 . 1 1 119 119 GLN HG2 H 1 2.501 0.030 . 1 . . . . 119 GLN HG2 . 10080 1 1442 . 1 1 119 119 GLN HG3 H 1 2.501 0.030 . 1 . . . . 119 GLN HG3 . 10080 1 1443 . 1 1 119 119 GLN HE21 H 1 7.099 0.030 . 2 . . . . 119 GLN HE21 . 10080 1 1444 . 1 1 119 119 GLN HE22 H 1 6.956 0.030 . 2 . . . . 119 GLN HE22 . 10080 1 1445 . 1 1 119 119 GLN C C 13 175.353 0.300 . 1 . . . . 119 GLN C . 10080 1 1446 . 1 1 119 119 GLN CA C 13 53.976 0.300 . 1 . . . . 119 GLN CA . 10080 1 1447 . 1 1 119 119 GLN CB C 13 28.434 0.300 . 1 . . . . 119 GLN CB . 10080 1 1448 . 1 1 119 119 GLN CG C 13 33.124 0.300 . 1 . . . . 119 GLN CG . 10080 1 1449 . 1 1 119 119 GLN N N 15 120.225 0.300 . 1 . . . . 119 GLN N . 10080 1 1450 . 1 1 119 119 GLN NE2 N 15 112.567 0.300 . 1 . . . . 119 GLN NE2 . 10080 1 1451 . 1 1 120 120 SER H H 1 9.083 0.030 . 1 . . . . 120 SER H . 10080 1 1452 . 1 1 120 120 SER HB2 H 1 3.892 0.030 . 2 . . . . 120 SER HB2 . 10080 1 1453 . 1 1 120 120 SER HB3 H 1 3.811 0.030 . 2 . . . . 120 SER HB3 . 10080 1 1454 . 1 1 120 120 SER CA C 13 62.406 0.300 . 1 . . . . 120 SER CA . 10080 1 1455 . 1 1 120 120 SER CB C 13 62.390 0.300 . 1 . . . . 120 SER CB . 10080 1 1456 . 1 1 120 120 SER N N 15 123.968 0.300 . 1 . . . . 120 SER N . 10080 1 1457 . 1 1 121 121 SER H H 1 8.731 0.030 . 1 . . . . 121 SER H . 10080 1 1458 . 1 1 121 121 SER HA H 1 4.138 0.030 . 1 . . . . 121 SER HA . 10080 1 1459 . 1 1 121 121 SER HB2 H 1 3.901 0.030 . 2 . . . . 121 SER HB2 . 10080 1 1460 . 1 1 121 121 SER HB3 H 1 3.862 0.030 . 2 . . . . 121 SER HB3 . 10080 1 1461 . 1 1 121 121 SER C C 13 176.786 0.300 . 1 . . . . 121 SER C . 10080 1 1462 . 1 1 121 121 SER CA C 13 61.350 0.300 . 1 . . . . 121 SER CA . 10080 1 1463 . 1 1 121 121 SER CB C 13 62.199 0.300 . 1 . . . . 121 SER CB . 10080 1 1464 . 1 1 121 121 SER N N 15 115.712 0.300 . 1 . . . . 121 SER N . 10080 1 1465 . 1 1 122 122 LEU H H 1 6.835 0.030 . 1 . . . . 122 LEU H . 10080 1 1466 . 1 1 122 122 LEU HA H 1 4.237 0.030 . 1 . . . . 122 LEU HA . 10080 1 1467 . 1 1 122 122 LEU HB2 H 1 2.131 0.030 . 2 . . . . 122 LEU HB2 . 10080 1 1468 . 1 1 122 122 LEU HB3 H 1 1.543 0.030 . 2 . . . . 122 LEU HB3 . 10080 1 1469 . 1 1 122 122 LEU HG H 1 1.686 0.030 . 1 . . . . 122 LEU HG . 10080 1 1470 . 1 1 122 122 LEU HD11 H 1 1.041 0.030 . 1 . . . . 122 LEU HD1 . 10080 1 1471 . 1 1 122 122 LEU HD12 H 1 1.041 0.030 . 1 . . . . 122 LEU HD1 . 10080 1 1472 . 1 1 122 122 LEU HD13 H 1 1.041 0.030 . 1 . . . . 122 LEU HD1 . 10080 1 1473 . 1 1 122 122 LEU HD21 H 1 0.855 0.030 . 1 . . . . 122 LEU HD2 . 10080 1 1474 . 1 1 122 122 LEU HD22 H 1 0.855 0.030 . 1 . . . . 122 LEU HD2 . 10080 1 1475 . 1 1 122 122 LEU HD23 H 1 0.855 0.030 . 1 . . . . 122 LEU HD2 . 10080 1 1476 . 1 1 122 122 LEU C C 13 179.201 0.300 . 1 . . . . 122 LEU C . 10080 1 1477 . 1 1 122 122 LEU CA C 13 56.993 0.300 . 1 . . . . 122 LEU CA . 10080 1 1478 . 1 1 122 122 LEU CB C 13 41.177 0.300 . 1 . . . . 122 LEU CB . 10080 1 1479 . 1 1 122 122 LEU CG C 13 27.155 0.300 . 1 . . . . 122 LEU CG . 10080 1 1480 . 1 1 122 122 LEU CD1 C 13 25.548 0.300 . 2 . . . . 122 LEU CD1 . 10080 1 1481 . 1 1 122 122 LEU CD2 C 13 22.078 0.300 . 2 . . . . 122 LEU CD2 . 10080 1 1482 . 1 1 122 122 LEU N N 15 120.895 0.300 . 1 . . . . 122 LEU N . 10080 1 1483 . 1 1 123 123 VAL H H 1 7.894 0.030 . 1 . . . . 123 VAL H . 10080 1 1484 . 1 1 123 123 VAL HA H 1 3.223 0.030 . 1 . . . . 123 VAL HA . 10080 1 1485 . 1 1 123 123 VAL HB H 1 1.825 0.030 . 1 . . . . 123 VAL HB . 10080 1 1486 . 1 1 123 123 VAL HG11 H 1 0.842 0.030 . 1 . . . . 123 VAL HG1 . 10080 1 1487 . 1 1 123 123 VAL HG12 H 1 0.842 0.030 . 1 . . . . 123 VAL HG1 . 10080 1 1488 . 1 1 123 123 VAL HG13 H 1 0.842 0.030 . 1 . . . . 123 VAL HG1 . 10080 1 1489 . 1 1 123 123 VAL HG21 H 1 0.790 0.030 . 1 . . . . 123 VAL HG2 . 10080 1 1490 . 1 1 123 123 VAL HG22 H 1 0.790 0.030 . 1 . . . . 123 VAL HG2 . 10080 1 1491 . 1 1 123 123 VAL HG23 H 1 0.790 0.030 . 1 . . . . 123 VAL HG2 . 10080 1 1492 . 1 1 123 123 VAL C C 13 177.077 0.300 . 1 . . . . 123 VAL C . 10080 1 1493 . 1 1 123 123 VAL CA C 13 66.295 0.300 . 1 . . . . 123 VAL CA . 10080 1 1494 . 1 1 123 123 VAL CB C 13 32.132 0.300 . 1 . . . . 123 VAL CB . 10080 1 1495 . 1 1 123 123 VAL CG1 C 13 23.136 0.300 . 2 . . . . 123 VAL CG1 . 10080 1 1496 . 1 1 123 123 VAL CG2 C 13 23.588 0.300 . 2 . . . . 123 VAL CG2 . 10080 1 1497 . 1 1 123 123 VAL N N 15 121.823 0.300 . 1 . . . . 123 VAL N . 10080 1 1498 . 1 1 124 124 GLU H H 1 8.404 0.030 . 1 . . . . 124 GLU H . 10080 1 1499 . 1 1 124 124 GLU HA H 1 3.785 0.030 . 1 . . . . 124 GLU HA . 10080 1 1500 . 1 1 124 124 GLU HB2 H 1 1.949 0.030 . 2 . . . . 124 GLU HB2 . 10080 1 1501 . 1 1 124 124 GLU HB3 H 1 1.838 0.030 . 2 . . . . 124 GLU HB3 . 10080 1 1502 . 1 1 124 124 GLU HG2 H 1 2.166 0.030 . 2 . . . . 124 GLU HG2 . 10080 1 1503 . 1 1 124 124 GLU HG3 H 1 1.926 0.030 . 2 . . . . 124 GLU HG3 . 10080 1 1504 . 1 1 124 124 GLU C C 13 179.128 0.300 . 1 . . . . 124 GLU C . 10080 1 1505 . 1 1 124 124 GLU CA C 13 59.837 0.300 . 1 . . . . 124 GLU CA . 10080 1 1506 . 1 1 124 124 GLU CB C 13 29.096 0.300 . 1 . . . . 124 GLU CB . 10080 1 1507 . 1 1 124 124 GLU CG C 13 36.292 0.300 . 1 . . . . 124 GLU CG . 10080 1 1508 . 1 1 124 124 GLU N N 15 117.048 0.300 . 1 . . . . 124 GLU N . 10080 1 1509 . 1 1 125 125 MET H H 1 7.169 0.030 . 1 . . . . 125 MET H . 10080 1 1510 . 1 1 125 125 MET HA H 1 4.168 0.030 . 1 . . . . 125 MET HA . 10080 1 1511 . 1 1 125 125 MET HB2 H 1 2.286 0.030 . 2 . . . . 125 MET HB2 . 10080 1 1512 . 1 1 125 125 MET HB3 H 1 2.233 0.030 . 2 . . . . 125 MET HB3 . 10080 1 1513 . 1 1 125 125 MET HG2 H 1 2.768 0.030 . 2 . . . . 125 MET HG2 . 10080 1 1514 . 1 1 125 125 MET HG3 H 1 2.530 0.030 . 2 . . . . 125 MET HG3 . 10080 1 1515 . 1 1 125 125 MET HE1 H 1 2.103 0.030 . 1 . . . . 125 MET HE . 10080 1 1516 . 1 1 125 125 MET HE2 H 1 2.103 0.030 . 1 . . . . 125 MET HE . 10080 1 1517 . 1 1 125 125 MET HE3 H 1 2.103 0.030 . 1 . . . . 125 MET HE . 10080 1 1518 . 1 1 125 125 MET C C 13 178.570 0.300 . 1 . . . . 125 MET C . 10080 1 1519 . 1 1 125 125 MET CA C 13 58.745 0.300 . 1 . . . . 125 MET CA . 10080 1 1520 . 1 1 125 125 MET CB C 13 32.521 0.300 . 1 . . . . 125 MET CB . 10080 1 1521 . 1 1 125 125 MET CG C 13 31.845 0.300 . 1 . . . . 125 MET CG . 10080 1 1522 . 1 1 125 125 MET CE C 13 16.814 0.300 . 1 . . . . 125 MET CE . 10080 1 1523 . 1 1 125 125 MET N N 15 116.909 0.300 . 1 . . . . 125 MET N . 10080 1 1524 . 1 1 126 126 ILE H H 1 7.588 0.030 . 1 . . . . 126 ILE H . 10080 1 1525 . 1 1 126 126 ILE HA H 1 4.041 0.030 . 1 . . . . 126 ILE HA . 10080 1 1526 . 1 1 126 126 ILE HB H 1 1.719 0.030 . 1 . . . . 126 ILE HB . 10080 1 1527 . 1 1 126 126 ILE HG12 H 1 1.434 0.030 . 2 . . . . 126 ILE HG12 . 10080 1 1528 . 1 1 126 126 ILE HG13 H 1 1.416 0.030 . 2 . . . . 126 ILE HG13 . 10080 1 1529 . 1 1 126 126 ILE HG21 H 1 0.531 0.030 . 1 . . . . 126 ILE HG2 . 10080 1 1530 . 1 1 126 126 ILE HG22 H 1 0.531 0.030 . 1 . . . . 126 ILE HG2 . 10080 1 1531 . 1 1 126 126 ILE HG23 H 1 0.531 0.030 . 1 . . . . 126 ILE HG2 . 10080 1 1532 . 1 1 126 126 ILE HD11 H 1 0.647 0.030 . 1 . . . . 126 ILE HD1 . 10080 1 1533 . 1 1 126 126 ILE HD12 H 1 0.647 0.030 . 1 . . . . 126 ILE HD1 . 10080 1 1534 . 1 1 126 126 ILE HD13 H 1 0.647 0.030 . 1 . . . . 126 ILE HD1 . 10080 1 1535 . 1 1 126 126 ILE C C 13 176.943 0.300 . 1 . . . . 126 ILE C . 10080 1 1536 . 1 1 126 126 ILE CA C 13 63.779 0.300 . 1 . . . . 126 ILE CA . 10080 1 1537 . 1 1 126 126 ILE CB C 13 36.734 0.300 . 1 . . . . 126 ILE CB . 10080 1 1538 . 1 1 126 126 ILE CG1 C 13 29.627 0.300 . 1 . . . . 126 ILE CG1 . 10080 1 1539 . 1 1 126 126 ILE CG2 C 13 16.540 0.300 . 1 . . . . 126 ILE CG2 . 10080 1 1540 . 1 1 126 126 ILE CD1 C 13 11.833 0.300 . 1 . . . . 126 ILE CD1 . 10080 1 1541 . 1 1 126 126 ILE N N 15 120.105 0.300 . 1 . . . . 126 ILE N . 10080 1 1542 . 1 1 127 127 PHE H H 1 7.040 0.030 . 1 . . . . 127 PHE H . 10080 1 1543 . 1 1 127 127 PHE HA H 1 4.414 0.030 . 1 . . . . 127 PHE HA . 10080 1 1544 . 1 1 127 127 PHE HB2 H 1 2.864 0.030 . 2 . . . . 127 PHE HB2 . 10080 1 1545 . 1 1 127 127 PHE HB3 H 1 2.519 0.030 . 2 . . . . 127 PHE HB3 . 10080 1 1546 . 1 1 127 127 PHE HD1 H 1 6.126 0.030 . 1 . . . . 127 PHE HD1 . 10080 1 1547 . 1 1 127 127 PHE HD2 H 1 6.126 0.030 . 1 . . . . 127 PHE HD2 . 10080 1 1548 . 1 1 127 127 PHE HE1 H 1 6.479 0.030 . 1 . . . . 127 PHE HE1 . 10080 1 1549 . 1 1 127 127 PHE HE2 H 1 6.479 0.030 . 1 . . . . 127 PHE HE2 . 10080 1 1550 . 1 1 127 127 PHE HZ H 1 6.409 0.030 . 1 . . . . 127 PHE HZ . 10080 1 1551 . 1 1 127 127 PHE C C 13 176.142 0.300 . 1 . . . . 127 PHE C . 10080 1 1552 . 1 1 127 127 PHE CA C 13 58.429 0.300 . 1 . . . . 127 PHE CA . 10080 1 1553 . 1 1 127 127 PHE CB C 13 39.308 0.300 . 1 . . . . 127 PHE CB . 10080 1 1554 . 1 1 127 127 PHE CD1 C 13 130.440 0.300 . 1 . . . . 127 PHE CD1 . 10080 1 1555 . 1 1 127 127 PHE CD2 C 13 130.440 0.300 . 1 . . . . 127 PHE CD2 . 10080 1 1556 . 1 1 127 127 PHE CE1 C 13 129.889 0.300 . 1 . . . . 127 PHE CE1 . 10080 1 1557 . 1 1 127 127 PHE CE2 C 13 129.889 0.300 . 1 . . . . 127 PHE CE2 . 10080 1 1558 . 1 1 127 127 PHE CZ C 13 127.786 0.300 . 1 . . . . 127 PHE CZ . 10080 1 1559 . 1 1 127 127 PHE N N 15 116.957 0.300 . 1 . . . . 127 PHE N . 10080 1 1560 . 1 1 128 128 SER H H 1 7.722 0.030 . 1 . . . . 128 SER H . 10080 1 1561 . 1 1 128 128 SER HA H 1 4.724 0.030 . 1 . . . . 128 SER HA . 10080 1 1562 . 1 1 128 128 SER HB2 H 1 4.055 0.030 . 2 . . . . 128 SER HB2 . 10080 1 1563 . 1 1 128 128 SER HB3 H 1 3.988 0.030 . 2 . . . . 128 SER HB3 . 10080 1 1564 . 1 1 128 128 SER C C 13 174.746 0.300 . 1 . . . . 128 SER C . 10080 1 1565 . 1 1 128 128 SER CA C 13 59.150 0.300 . 1 . . . . 128 SER CA . 10080 1 1566 . 1 1 128 128 SER CB C 13 65.007 0.300 . 1 . . . . 128 SER CB . 10080 1 1567 . 1 1 128 128 SER N N 15 113.009 0.300 . 1 . . . . 128 SER N . 10080 1 1568 . 1 1 129 129 GLU H H 1 8.258 0.030 . 1 . . . . 129 GLU H . 10080 1 1569 . 1 1 129 129 GLU HA H 1 4.464 0.030 . 1 . . . . 129 GLU HA . 10080 1 1570 . 1 1 129 129 GLU HB2 H 1 2.197 0.030 . 2 . . . . 129 GLU HB2 . 10080 1 1571 . 1 1 129 129 GLU HB3 H 1 2.126 0.030 . 2 . . . . 129 GLU HB3 . 10080 1 1572 . 1 1 129 129 GLU HG2 H 1 2.462 0.030 . 2 . . . . 129 GLU HG2 . 10080 1 1573 . 1 1 129 129 GLU HG3 H 1 2.434 0.030 . 2 . . . . 129 GLU HG3 . 10080 1 1574 . 1 1 129 129 GLU C C 13 175.596 0.300 . 1 . . . . 129 GLU C . 10080 1 1575 . 1 1 129 129 GLU CA C 13 56.687 0.300 . 1 . . . . 129 GLU CA . 10080 1 1576 . 1 1 129 129 GLU CB C 13 30.330 0.300 . 1 . . . . 129 GLU CB . 10080 1 1577 . 1 1 129 129 GLU CG C 13 35.907 0.300 . 1 . . . . 129 GLU CG . 10080 1 1578 . 1 1 129 129 GLU N N 15 122.964 0.300 . 1 . . . . 129 GLU N . 10080 1 1579 . 1 1 130 130 ASP H H 1 8.160 0.030 . 1 . . . . 130 ASP H . 10080 1 1580 . 1 1 130 130 ASP HA H 1 4.444 0.030 . 1 . . . . 130 ASP HA . 10080 1 1581 . 1 1 130 130 ASP HB2 H 1 2.734 0.030 . 2 . . . . 130 ASP HB2 . 10080 1 1582 . 1 1 130 130 ASP HB3 H 1 2.614 0.030 . 2 . . . . 130 ASP HB3 . 10080 1 1583 . 1 1 130 130 ASP C C 13 180.961 0.300 . 1 . . . . 130 ASP C . 10080 1 1584 . 1 1 130 130 ASP CA C 13 55.965 0.300 . 1 . . . . 130 ASP CA . 10080 1 1585 . 1 1 130 130 ASP CB C 13 42.074 0.300 . 1 . . . . 130 ASP CB . 10080 1 1586 . 1 1 130 130 ASP N N 15 126.965 0.300 . 1 . . . . 130 ASP N . 10080 1 stop_ save_