data_10042 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10042 _Entry.Title ; Solution Structure of the CS Domain of Human KIAA1068 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-10 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _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 H. Li . . . 10042 2 F. Hayashi . . . 10042 3 S. Koshiba . . . 10042 4 M. Inoue . . . 10042 5 T. Kigawa . . . 10042 6 S. Yokoyama . . . 10042 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' . 10042 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10042 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 521 10042 '15N chemical shifts' 122 10042 '1H chemical shifts' 821 10042 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 . . 2008-08-13 2006-11-09 original author . 10042 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGV 'BMRB Entry Tracking System' 10042 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10042 _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 the CS Domain of Human KIAA1068 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 H. Li . . . 10042 1 2 F. Hayashi . . . 10042 1 3 S. Koshiba . . . 10042 1 4 M. Inoue . . . 10042 1 5 T. Kigawa . . . 10042 1 6 S. Yokoyama . . . 10042 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10042 _Assembly.ID 1 _Assembly.Name 'KIAA1068 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' 10042 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 'KIAA1068 protein' 1 $entity_1 . . yes native no no . . . 10042 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 1WGV . . . . . . 10042 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10042 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CS domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGQKNPDSYNGAVRE NYTWSQDYTDLEVRVPVPKH VVKGKQVSVALSSSSIRVAM LEENGERVLMEGKLTHKINT ESSLWSLEPGKCVLVNLSKV GEYWWNAILEGEEPIDIDSG PSSG ; _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 124 _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 1WGV . "Solution Structure Of The Cs Domain Of Human Kiaa1068 Protein" . . . . . 100.00 124 100.00 100.00 3.86e-82 . . . . 10042 1 2 no DBJ BAA83020 . "KIAA1068 protein [Homo sapiens]" . . . . . 89.52 354 100.00 100.00 1.90e-72 . . . . 10042 1 3 no DBJ BAB14855 . "unnamed protein product [Homo sapiens]" . . . . . 89.52 256 100.00 100.00 1.92e-72 . . . . 10042 1 4 no DBJ BAE89512 . "unnamed protein product [Macaca fascicularis]" . . . . . 89.52 220 100.00 100.00 2.66e-73 . . . . 10042 1 5 no EMBL CAH90985 . "hypothetical protein [Pongo abelii]" . . . . . 89.52 361 100.00 100.00 1.86e-72 . . . . 10042 1 6 no GB AAH03691 . "NudC domain containing 3 [Homo sapiens]" . . . . . 89.52 220 100.00 100.00 2.69e-73 . . . . 10042 1 7 no GB AAH11673 . "NUDCD3 protein, partial [Homo sapiens]" . . . . . 89.52 296 100.00 100.00 3.40e-73 . . . . 10042 1 8 no GB AAH35014 . "NudC domain containing 3 [Homo sapiens]" . . . . . 89.52 361 98.20 99.10 2.02e-70 . . . . 10042 1 9 no GB AAI07926 . "Nudcd3 protein [Rattus norvegicus]" . . . . . 70.97 299 97.73 98.86 2.52e-53 . . . . 10042 1 10 no GB AAQ96892 . "unknown [Homo sapiens]" . . . . . 89.52 220 100.00 100.00 2.69e-73 . . . . 10042 1 11 no REF NP_001096832 . "nudC domain-containing protein 3 [Rattus norvegicus]" . . . . . 70.97 299 97.73 98.86 2.52e-53 . . . . 10042 1 12 no REF NP_001127359 . "nudC domain-containing protein 3 [Pongo abelii]" . . . . . 89.52 361 100.00 100.00 1.86e-72 . . . . 10042 1 13 no REF NP_001253522 . "nudC domain-containing protein 3 [Macaca mulatta]" . . . . . 89.52 364 100.00 100.00 1.51e-72 . . . . 10042 1 14 no REF NP_056147 . "nudC domain-containing protein 3 [Homo sapiens]" . . . . . 89.52 361 100.00 100.00 1.80e-72 . . . . 10042 1 15 no REF XP_003268909 . "PREDICTED: nudC domain-containing protein 3 isoform X2 [Nomascus leucogenys]" . . . . . 89.52 364 99.10 100.00 6.00e-72 . . . . 10042 1 16 no SP Q5RB75 . "RecName: Full=NudC domain-containing protein 3" . . . . . 89.52 361 100.00 100.00 1.86e-72 . . . . 10042 1 17 no SP Q8IVD9 . "RecName: Full=NudC domain-containing protein 3" . . . . . 89.52 361 100.00 100.00 1.80e-72 . . . . 10042 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CS domain' . 10042 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 . 10042 1 2 . SER . 10042 1 3 . SER . 10042 1 4 . GLY . 10042 1 5 . SER . 10042 1 6 . SER . 10042 1 7 . GLY . 10042 1 8 . GLN . 10042 1 9 . LYS . 10042 1 10 . ASN . 10042 1 11 . PRO . 10042 1 12 . ASP . 10042 1 13 . SER . 10042 1 14 . TYR . 10042 1 15 . ASN . 10042 1 16 . GLY . 10042 1 17 . ALA . 10042 1 18 . VAL . 10042 1 19 . ARG . 10042 1 20 . GLU . 10042 1 21 . ASN . 10042 1 22 . TYR . 10042 1 23 . THR . 10042 1 24 . TRP . 10042 1 25 . SER . 10042 1 26 . GLN . 10042 1 27 . ASP . 10042 1 28 . TYR . 10042 1 29 . THR . 10042 1 30 . ASP . 10042 1 31 . LEU . 10042 1 32 . GLU . 10042 1 33 . VAL . 10042 1 34 . ARG . 10042 1 35 . VAL . 10042 1 36 . PRO . 10042 1 37 . VAL . 10042 1 38 . PRO . 10042 1 39 . LYS . 10042 1 40 . HIS . 10042 1 41 . VAL . 10042 1 42 . VAL . 10042 1 43 . LYS . 10042 1 44 . GLY . 10042 1 45 . LYS . 10042 1 46 . GLN . 10042 1 47 . VAL . 10042 1 48 . SER . 10042 1 49 . VAL . 10042 1 50 . ALA . 10042 1 51 . LEU . 10042 1 52 . SER . 10042 1 53 . SER . 10042 1 54 . SER . 10042 1 55 . SER . 10042 1 56 . ILE . 10042 1 57 . ARG . 10042 1 58 . VAL . 10042 1 59 . ALA . 10042 1 60 . MET . 10042 1 61 . LEU . 10042 1 62 . GLU . 10042 1 63 . GLU . 10042 1 64 . ASN . 10042 1 65 . GLY . 10042 1 66 . GLU . 10042 1 67 . ARG . 10042 1 68 . VAL . 10042 1 69 . LEU . 10042 1 70 . MET . 10042 1 71 . GLU . 10042 1 72 . GLY . 10042 1 73 . LYS . 10042 1 74 . LEU . 10042 1 75 . THR . 10042 1 76 . HIS . 10042 1 77 . LYS . 10042 1 78 . ILE . 10042 1 79 . ASN . 10042 1 80 . THR . 10042 1 81 . GLU . 10042 1 82 . SER . 10042 1 83 . SER . 10042 1 84 . LEU . 10042 1 85 . TRP . 10042 1 86 . SER . 10042 1 87 . LEU . 10042 1 88 . GLU . 10042 1 89 . PRO . 10042 1 90 . GLY . 10042 1 91 . LYS . 10042 1 92 . CYS . 10042 1 93 . VAL . 10042 1 94 . LEU . 10042 1 95 . VAL . 10042 1 96 . ASN . 10042 1 97 . LEU . 10042 1 98 . SER . 10042 1 99 . LYS . 10042 1 100 . VAL . 10042 1 101 . GLY . 10042 1 102 . GLU . 10042 1 103 . TYR . 10042 1 104 . TRP . 10042 1 105 . TRP . 10042 1 106 . ASN . 10042 1 107 . ALA . 10042 1 108 . ILE . 10042 1 109 . LEU . 10042 1 110 . GLU . 10042 1 111 . GLY . 10042 1 112 . GLU . 10042 1 113 . GLU . 10042 1 114 . PRO . 10042 1 115 . ILE . 10042 1 116 . ASP . 10042 1 117 . ILE . 10042 1 118 . ASP . 10042 1 119 . SER . 10042 1 120 . GLY . 10042 1 121 . PRO . 10042 1 122 . SER . 10042 1 123 . SER . 10042 1 124 . GLY . 10042 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 10042 1 . SER 2 2 10042 1 . SER 3 3 10042 1 . GLY 4 4 10042 1 . SER 5 5 10042 1 . SER 6 6 10042 1 . GLY 7 7 10042 1 . GLN 8 8 10042 1 . LYS 9 9 10042 1 . ASN 10 10 10042 1 . PRO 11 11 10042 1 . ASP 12 12 10042 1 . SER 13 13 10042 1 . TYR 14 14 10042 1 . ASN 15 15 10042 1 . GLY 16 16 10042 1 . ALA 17 17 10042 1 . VAL 18 18 10042 1 . ARG 19 19 10042 1 . GLU 20 20 10042 1 . ASN 21 21 10042 1 . TYR 22 22 10042 1 . THR 23 23 10042 1 . TRP 24 24 10042 1 . SER 25 25 10042 1 . GLN 26 26 10042 1 . ASP 27 27 10042 1 . TYR 28 28 10042 1 . THR 29 29 10042 1 . ASP 30 30 10042 1 . LEU 31 31 10042 1 . GLU 32 32 10042 1 . VAL 33 33 10042 1 . ARG 34 34 10042 1 . VAL 35 35 10042 1 . PRO 36 36 10042 1 . VAL 37 37 10042 1 . PRO 38 38 10042 1 . LYS 39 39 10042 1 . HIS 40 40 10042 1 . VAL 41 41 10042 1 . VAL 42 42 10042 1 . LYS 43 43 10042 1 . GLY 44 44 10042 1 . LYS 45 45 10042 1 . GLN 46 46 10042 1 . VAL 47 47 10042 1 . SER 48 48 10042 1 . VAL 49 49 10042 1 . ALA 50 50 10042 1 . LEU 51 51 10042 1 . SER 52 52 10042 1 . SER 53 53 10042 1 . SER 54 54 10042 1 . SER 55 55 10042 1 . ILE 56 56 10042 1 . ARG 57 57 10042 1 . VAL 58 58 10042 1 . ALA 59 59 10042 1 . MET 60 60 10042 1 . LEU 61 61 10042 1 . GLU 62 62 10042 1 . GLU 63 63 10042 1 . ASN 64 64 10042 1 . GLY 65 65 10042 1 . GLU 66 66 10042 1 . ARG 67 67 10042 1 . VAL 68 68 10042 1 . LEU 69 69 10042 1 . MET 70 70 10042 1 . GLU 71 71 10042 1 . GLY 72 72 10042 1 . LYS 73 73 10042 1 . LEU 74 74 10042 1 . THR 75 75 10042 1 . HIS 76 76 10042 1 . LYS 77 77 10042 1 . ILE 78 78 10042 1 . ASN 79 79 10042 1 . THR 80 80 10042 1 . GLU 81 81 10042 1 . SER 82 82 10042 1 . SER 83 83 10042 1 . LEU 84 84 10042 1 . TRP 85 85 10042 1 . SER 86 86 10042 1 . LEU 87 87 10042 1 . GLU 88 88 10042 1 . PRO 89 89 10042 1 . GLY 90 90 10042 1 . LYS 91 91 10042 1 . CYS 92 92 10042 1 . VAL 93 93 10042 1 . LEU 94 94 10042 1 . VAL 95 95 10042 1 . ASN 96 96 10042 1 . LEU 97 97 10042 1 . SER 98 98 10042 1 . LYS 99 99 10042 1 . VAL 100 100 10042 1 . GLY 101 101 10042 1 . GLU 102 102 10042 1 . TYR 103 103 10042 1 . TRP 104 104 10042 1 . TRP 105 105 10042 1 . ASN 106 106 10042 1 . ALA 107 107 10042 1 . ILE 108 108 10042 1 . LEU 109 109 10042 1 . GLU 110 110 10042 1 . GLY 111 111 10042 1 . GLU 112 112 10042 1 . GLU 113 113 10042 1 . PRO 114 114 10042 1 . ILE 115 115 10042 1 . ASP 116 116 10042 1 . ILE 117 117 10042 1 . ASP 118 118 10042 1 . SER 119 119 10042 1 . GLY 120 120 10042 1 . PRO 121 121 10042 1 . SER 122 122 10042 1 . SER 123 123 10042 1 . GLY 124 124 10042 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 10042 _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 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10042 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 10042 _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 . . P040114-35 . . . . . . 10042 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10042 _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 'CS domain of Human KIAA1068 protein' '[U-13C, U-15N]' . . 1 $entity_1 . . 1.06 . . mM . . . . 10042 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10042 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10042 1 4 d-DTT . . . . . . salt 2 . . mM . . . . 10042 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10042 1 6 H2O . . . . . . solvent 90 . . % . . . . 10042 1 7 D2O . . . . . . solvent 10 . . % . . . . 10042 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 10042 _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 10042 1 pH 7.0 0.05 pH 10042 1 pressure 1 0.001 atm 10042 1 temperature 298 0.1 K 10042 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10042 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 10042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10042 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10042 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10042 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10042 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10042 _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.' . . 10042 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10042 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10042 _Software.ID 4 _Software.Name Kujira _Software.Version 0.897 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10042 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10042 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10042 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10042 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10042 5 'structure solution' 10042 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 10042 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 10042 _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 . . . . . . . . . . . . . . . . 10042 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10042 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 10042 _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 10042 _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 10042 _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 . . . . . . . . . 10042 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10042 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10042 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 10042 _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 10042 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10042 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 7 7 GLY HA2 H 1 3.949 0.030 . 1 . . . . 7 GLY HA2 . 10042 1 2 . 1 1 7 7 GLY HA3 H 1 3.949 0.030 . 1 . . . . 7 GLY HA3 . 10042 1 3 . 1 1 7 7 GLY C C 13 174.023 0.300 . 1 . . . . 7 GLY C . 10042 1 4 . 1 1 7 7 GLY CA C 13 45.493 0.300 . 1 . . . . 7 GLY CA . 10042 1 5 . 1 1 8 8 GLN HA H 1 4.314 0.030 . 1 . . . . 8 GLN HA . 10042 1 6 . 1 1 8 8 GLN HB2 H 1 1.941 0.030 . 2 . . . . 8 GLN HB2 . 10042 1 7 . 1 1 8 8 GLN HB3 H 1 2.060 0.030 . 2 . . . . 8 GLN HB3 . 10042 1 8 . 1 1 8 8 GLN HG2 H 1 2.297 0.030 . 1 . . . . 8 GLN HG2 . 10042 1 9 . 1 1 8 8 GLN HG3 H 1 2.297 0.030 . 1 . . . . 8 GLN HG3 . 10042 1 10 . 1 1 8 8 GLN HE21 H 1 7.515 0.030 . 2 . . . . 8 GLN HE21 . 10042 1 11 . 1 1 8 8 GLN HE22 H 1 6.846 0.030 . 2 . . . . 8 GLN HE22 . 10042 1 12 . 1 1 8 8 GLN C C 13 175.825 0.300 . 1 . . . . 8 GLN C . 10042 1 13 . 1 1 8 8 GLN CA C 13 55.755 0.300 . 1 . . . . 8 GLN CA . 10042 1 14 . 1 1 8 8 GLN CB C 13 29.607 0.300 . 1 . . . . 8 GLN CB . 10042 1 15 . 1 1 8 8 GLN CG C 13 33.865 0.300 . 1 . . . . 8 GLN CG . 10042 1 16 . 1 1 8 8 GLN NE2 N 15 112.484 0.300 . 1 . . . . 8 GLN NE2 . 10042 1 17 . 1 1 9 9 LYS HA H 1 4.271 0.030 . 1 . . . . 9 LYS HA . 10042 1 18 . 1 1 9 9 LYS HB2 H 1 1.770 0.030 . 2 . . . . 9 LYS HB2 . 10042 1 19 . 1 1 9 9 LYS HB3 H 1 1.710 0.030 . 2 . . . . 9 LYS HB3 . 10042 1 20 . 1 1 9 9 LYS HG2 H 1 1.589 0.030 . 1 . . . . 9 LYS HG2 . 10042 1 21 . 1 1 9 9 LYS HG3 H 1 1.589 0.030 . 1 . . . . 9 LYS HG3 . 10042 1 22 . 1 1 9 9 LYS HD2 H 1 1.457 0.030 . 1 . . . . 9 LYS HD2 . 10042 1 23 . 1 1 9 9 LYS HD3 H 1 1.457 0.030 . 1 . . . . 9 LYS HD3 . 10042 1 24 . 1 1 9 9 LYS C C 13 175.975 0.300 . 1 . . . . 9 LYS C . 10042 1 25 . 1 1 9 9 LYS CA C 13 56.170 0.300 . 1 . . . . 9 LYS CA . 10042 1 26 . 1 1 9 9 LYS CB C 13 33.154 0.300 . 1 . . . . 9 LYS CB . 10042 1 27 . 1 1 9 9 LYS CG C 13 25.670 0.300 . 1 . . . . 9 LYS CG . 10042 1 28 . 1 1 9 9 LYS CD C 13 29.014 0.300 . 1 . . . . 9 LYS CD . 10042 1 29 . 1 1 9 9 LYS CE C 13 42.192 0.300 . 1 . . . . 9 LYS CE . 10042 1 30 . 1 1 10 10 ASN H H 1 8.521 0.030 . 1 . . . . 10 ASN H . 10042 1 31 . 1 1 10 10 ASN HA H 1 4.927 0.030 . 1 . . . . 10 ASN HA . 10042 1 32 . 1 1 10 10 ASN HB2 H 1 2.674 0.030 . 2 . . . . 10 ASN HB2 . 10042 1 33 . 1 1 10 10 ASN HB3 H 1 2.781 0.030 . 2 . . . . 10 ASN HB3 . 10042 1 34 . 1 1 10 10 ASN HD21 H 1 7.610 0.030 . 2 . . . . 10 ASN HD21 . 10042 1 35 . 1 1 10 10 ASN HD22 H 1 6.977 0.030 . 2 . . . . 10 ASN HD22 . 10042 1 36 . 1 1 10 10 ASN C C 13 173.705 0.300 . 1 . . . . 10 ASN C . 10042 1 37 . 1 1 10 10 ASN CA C 13 51.327 0.300 . 1 . . . . 10 ASN CA . 10042 1 38 . 1 1 10 10 ASN CB C 13 38.728 0.300 . 1 . . . . 10 ASN CB . 10042 1 39 . 1 1 10 10 ASN N N 15 121.240 0.300 . 1 . . . . 10 ASN N . 10042 1 40 . 1 1 10 10 ASN ND2 N 15 113.190 0.300 . 1 . . . . 10 ASN ND2 . 10042 1 41 . 1 1 11 11 PRO HA H 1 4.309 0.030 . 1 . . . . 11 PRO HA . 10042 1 42 . 1 1 11 11 PRO HB2 H 1 2.260 0.030 . 2 . . . . 11 PRO HB2 . 10042 1 43 . 1 1 11 11 PRO HB3 H 1 1.940 0.030 . 2 . . . . 11 PRO HB3 . 10042 1 44 . 1 1 11 11 PRO HG2 H 1 1.980 0.030 . 1 . . . . 11 PRO HG2 . 10042 1 45 . 1 1 11 11 PRO HG3 H 1 1.980 0.030 . 1 . . . . 11 PRO HG3 . 10042 1 46 . 1 1 11 11 PRO HD2 H 1 3.680 0.030 . 2 . . . . 11 PRO HD2 . 10042 1 47 . 1 1 11 11 PRO HD3 H 1 3.782 0.030 . 2 . . . . 11 PRO HD3 . 10042 1 48 . 1 1 11 11 PRO C C 13 176.873 0.300 . 1 . . . . 11 PRO C . 10042 1 49 . 1 1 11 11 PRO CA C 13 63.903 0.300 . 1 . . . . 11 PRO CA . 10042 1 50 . 1 1 11 11 PRO CB C 13 32.083 0.300 . 1 . . . . 11 PRO CB . 10042 1 51 . 1 1 11 11 PRO CG C 13 27.349 0.300 . 1 . . . . 11 PRO CG . 10042 1 52 . 1 1 11 11 PRO CD C 13 50.780 0.300 . 1 . . . . 11 PRO CD . 10042 1 53 . 1 1 12 12 ASP H H 1 8.307 0.030 . 1 . . . . 12 ASP H . 10042 1 54 . 1 1 12 12 ASP HA H 1 4.505 0.030 . 1 . . . . 12 ASP HA . 10042 1 55 . 1 1 12 12 ASP HB2 H 1 2.661 0.030 . 2 . . . . 12 ASP HB2 . 10042 1 56 . 1 1 12 12 ASP HB3 H 1 2.590 0.030 . 2 . . . . 12 ASP HB3 . 10042 1 57 . 1 1 12 12 ASP C C 13 176.095 0.300 . 1 . . . . 12 ASP C . 10042 1 58 . 1 1 12 12 ASP CA C 13 54.986 0.300 . 1 . . . . 12 ASP CA . 10042 1 59 . 1 1 12 12 ASP CB C 13 40.899 0.300 . 1 . . . . 12 ASP CB . 10042 1 60 . 1 1 12 12 ASP N N 15 119.150 0.300 . 1 . . . . 12 ASP N . 10042 1 61 . 1 1 13 13 SER H H 1 7.872 0.030 . 1 . . . . 13 SER H . 10042 1 62 . 1 1 13 13 SER HA H 1 4.507 0.030 . 1 . . . . 13 SER HA . 10042 1 63 . 1 1 13 13 SER HB2 H 1 3.800 0.030 . 2 . . . . 13 SER HB2 . 10042 1 64 . 1 1 13 13 SER HB3 H 1 3.620 0.030 . 2 . . . . 13 SER HB3 . 10042 1 65 . 1 1 13 13 SER C C 13 174.337 0.300 . 1 . . . . 13 SER C . 10042 1 66 . 1 1 13 13 SER CA C 13 57.918 0.300 . 1 . . . . 13 SER CA . 10042 1 67 . 1 1 13 13 SER CB C 13 63.920 0.300 . 1 . . . . 13 SER CB . 10042 1 68 . 1 1 13 13 SER N N 15 113.676 0.300 . 1 . . . . 13 SER N . 10042 1 69 . 1 1 14 14 TYR H H 1 7.980 0.030 . 1 . . . . 14 TYR H . 10042 1 70 . 1 1 14 14 TYR HA H 1 4.485 0.030 . 1 . . . . 14 TYR HA . 10042 1 71 . 1 1 14 14 TYR HB2 H 1 3.002 0.030 . 1 . . . . 14 TYR HB2 . 10042 1 72 . 1 1 14 14 TYR HB3 H 1 3.002 0.030 . 1 . . . . 14 TYR HB3 . 10042 1 73 . 1 1 14 14 TYR HD1 H 1 7.106 0.030 . 1 . . . . 14 TYR HD1 . 10042 1 74 . 1 1 14 14 TYR HD2 H 1 7.106 0.030 . 1 . . . . 14 TYR HD2 . 10042 1 75 . 1 1 14 14 TYR HE1 H 1 6.790 0.030 . 1 . . . . 14 TYR HE1 . 10042 1 76 . 1 1 14 14 TYR HE2 H 1 6.790 0.030 . 1 . . . . 14 TYR HE2 . 10042 1 77 . 1 1 14 14 TYR C C 13 175.632 0.300 . 1 . . . . 14 TYR C . 10042 1 78 . 1 1 14 14 TYR CA C 13 58.454 0.300 . 1 . . . . 14 TYR CA . 10042 1 79 . 1 1 14 14 TYR CB C 13 38.728 0.300 . 1 . . . . 14 TYR CB . 10042 1 80 . 1 1 14 14 TYR CD1 C 13 133.134 0.300 . 1 . . . . 14 TYR CD1 . 10042 1 81 . 1 1 14 14 TYR CD2 C 13 133.134 0.300 . 1 . . . . 14 TYR CD2 . 10042 1 82 . 1 1 14 14 TYR CE1 C 13 118.218 0.300 . 1 . . . . 14 TYR CE1 . 10042 1 83 . 1 1 14 14 TYR CE2 C 13 118.218 0.300 . 1 . . . . 14 TYR CE2 . 10042 1 84 . 1 1 14 14 TYR N N 15 122.823 0.300 . 1 . . . . 14 TYR N . 10042 1 85 . 1 1 15 15 ASN H H 1 8.421 0.030 . 1 . . . . 15 ASN H . 10042 1 86 . 1 1 15 15 ASN HA H 1 4.488 0.030 . 1 . . . . 15 ASN HA . 10042 1 87 . 1 1 15 15 ASN HB2 H 1 2.870 0.030 . 2 . . . . 15 ASN HB2 . 10042 1 88 . 1 1 15 15 ASN HB3 H 1 2.780 0.030 . 2 . . . . 15 ASN HB3 . 10042 1 89 . 1 1 15 15 ASN HD21 H 1 6.810 0.030 . 2 . . . . 15 ASN HD21 . 10042 1 90 . 1 1 15 15 ASN HD22 H 1 7.372 0.030 . 2 . . . . 15 ASN HD22 . 10042 1 91 . 1 1 15 15 ASN C C 13 174.197 0.300 . 1 . . . . 15 ASN C . 10042 1 92 . 1 1 15 15 ASN CA C 13 53.474 0.300 . 1 . . . . 15 ASN CA . 10042 1 93 . 1 1 15 15 ASN CB C 13 38.663 0.300 . 1 . . . . 15 ASN CB . 10042 1 94 . 1 1 15 15 ASN N N 15 121.046 0.300 . 1 . . . . 15 ASN N . 10042 1 95 . 1 1 15 15 ASN ND2 N 15 112.605 0.300 . 1 . . . . 15 ASN ND2 . 10042 1 96 . 1 1 16 16 GLY H H 1 7.560 0.030 . 1 . . . . 16 GLY H . 10042 1 97 . 1 1 16 16 GLY HA2 H 1 3.380 0.030 . 2 . . . . 16 GLY HA2 . 10042 1 98 . 1 1 16 16 GLY HA3 H 1 3.150 0.030 . 2 . . . . 16 GLY HA3 . 10042 1 99 . 1 1 16 16 GLY C C 13 173.164 0.300 . 1 . . . . 16 GLY C . 10042 1 100 . 1 1 16 16 GLY CA C 13 44.599 0.300 . 1 . . . . 16 GLY CA . 10042 1 101 . 1 1 16 16 GLY N N 15 107.637 0.300 . 1 . . . . 16 GLY N . 10042 1 102 . 1 1 17 17 ALA H H 1 7.446 0.030 . 1 . . . . 17 ALA H . 10042 1 103 . 1 1 17 17 ALA HA H 1 4.361 0.030 . 1 . . . . 17 ALA HA . 10042 1 104 . 1 1 17 17 ALA HB1 H 1 1.235 0.030 . 1 . . . . 17 ALA HB . 10042 1 105 . 1 1 17 17 ALA HB2 H 1 1.235 0.030 . 1 . . . . 17 ALA HB . 10042 1 106 . 1 1 17 17 ALA HB3 H 1 1.235 0.030 . 1 . . . . 17 ALA HB . 10042 1 107 . 1 1 17 17 ALA C C 13 176.236 0.300 . 1 . . . . 17 ALA C . 10042 1 108 . 1 1 17 17 ALA CA C 13 51.873 0.300 . 1 . . . . 17 ALA CA . 10042 1 109 . 1 1 17 17 ALA CB C 13 20.651 0.300 . 1 . . . . 17 ALA CB . 10042 1 110 . 1 1 17 17 ALA N N 15 122.307 0.300 . 1 . . . . 17 ALA N . 10042 1 111 . 1 1 18 18 VAL H H 1 8.180 0.030 . 1 . . . . 18 VAL H . 10042 1 112 . 1 1 18 18 VAL HA H 1 4.171 0.030 . 1 . . . . 18 VAL HA . 10042 1 113 . 1 1 18 18 VAL HB H 1 1.997 0.030 . 1 . . . . 18 VAL HB . 10042 1 114 . 1 1 18 18 VAL HG11 H 1 0.947 0.030 . 1 . . . . 18 VAL HG1 . 10042 1 115 . 1 1 18 18 VAL HG12 H 1 0.947 0.030 . 1 . . . . 18 VAL HG1 . 10042 1 116 . 1 1 18 18 VAL HG13 H 1 0.947 0.030 . 1 . . . . 18 VAL HG1 . 10042 1 117 . 1 1 18 18 VAL HG21 H 1 0.900 0.030 . 1 . . . . 18 VAL HG2 . 10042 1 118 . 1 1 18 18 VAL HG22 H 1 0.900 0.030 . 1 . . . . 18 VAL HG2 . 10042 1 119 . 1 1 18 18 VAL HG23 H 1 0.900 0.030 . 1 . . . . 18 VAL HG2 . 10042 1 120 . 1 1 18 18 VAL C C 13 175.964 0.300 . 1 . . . . 18 VAL C . 10042 1 121 . 1 1 18 18 VAL CA C 13 62.467 0.300 . 1 . . . . 18 VAL CA . 10042 1 122 . 1 1 18 18 VAL CB C 13 32.972 0.300 . 1 . . . . 18 VAL CB . 10042 1 123 . 1 1 18 18 VAL CG1 C 13 20.833 0.300 . 2 . . . . 18 VAL CG1 . 10042 1 124 . 1 1 18 18 VAL CG2 C 13 21.043 0.300 . 2 . . . . 18 VAL CG2 . 10042 1 125 . 1 1 18 18 VAL N N 15 119.939 0.300 . 1 . . . . 18 VAL N . 10042 1 126 . 1 1 19 19 ARG H H 1 8.466 0.030 . 1 . . . . 19 ARG H . 10042 1 127 . 1 1 19 19 ARG HA H 1 4.599 0.030 . 1 . . . . 19 ARG HA . 10042 1 128 . 1 1 19 19 ARG HB2 H 1 1.840 0.030 . 2 . . . . 19 ARG HB2 . 10042 1 129 . 1 1 19 19 ARG HB3 H 1 1.490 0.030 . 2 . . . . 19 ARG HB3 . 10042 1 130 . 1 1 19 19 ARG HG2 H 1 1.568 0.030 . 2 . . . . 19 ARG HG2 . 10042 1 131 . 1 1 19 19 ARG HG3 H 1 1.460 0.030 . 2 . . . . 19 ARG HG3 . 10042 1 132 . 1 1 19 19 ARG HD2 H 1 3.157 0.030 . 2 . . . . 19 ARG HD2 . 10042 1 133 . 1 1 19 19 ARG HD3 H 1 3.243 0.030 . 2 . . . . 19 ARG HD3 . 10042 1 134 . 1 1 19 19 ARG C C 13 175.949 0.300 . 1 . . . . 19 ARG C . 10042 1 135 . 1 1 19 19 ARG CA C 13 54.094 0.300 . 1 . . . . 19 ARG CA . 10042 1 136 . 1 1 19 19 ARG CB C 13 30.758 0.300 . 1 . . . . 19 ARG CB . 10042 1 137 . 1 1 19 19 ARG CG C 13 27.059 0.300 . 1 . . . . 19 ARG CG . 10042 1 138 . 1 1 19 19 ARG CD C 13 42.916 0.300 . 1 . . . . 19 ARG CD . 10042 1 139 . 1 1 19 19 ARG N N 15 125.800 0.300 . 1 . . . . 19 ARG N . 10042 1 140 . 1 1 20 20 GLU H H 1 8.596 0.030 . 1 . . . . 20 GLU H . 10042 1 141 . 1 1 20 20 GLU HA H 1 4.120 0.030 . 1 . . . . 20 GLU HA . 10042 1 142 . 1 1 20 20 GLU HB2 H 1 1.980 0.030 . 1 . . . . 20 GLU HB2 . 10042 1 143 . 1 1 20 20 GLU HB3 H 1 1.980 0.030 . 1 . . . . 20 GLU HB3 . 10042 1 144 . 1 1 20 20 GLU HG2 H 1 2.270 0.030 . 1 . . . . 20 GLU HG2 . 10042 1 145 . 1 1 20 20 GLU HG3 H 1 2.270 0.030 . 1 . . . . 20 GLU HG3 . 10042 1 146 . 1 1 20 20 GLU C C 13 177.007 0.300 . 1 . . . . 20 GLU C . 10042 1 147 . 1 1 20 20 GLU CA C 13 58.259 0.300 . 1 . . . . 20 GLU CA . 10042 1 148 . 1 1 20 20 GLU CB C 13 29.996 0.300 . 1 . . . . 20 GLU CB . 10042 1 149 . 1 1 20 20 GLU CG C 13 36.399 0.300 . 1 . . . . 20 GLU CG . 10042 1 150 . 1 1 20 20 GLU N N 15 120.667 0.300 . 1 . . . . 20 GLU N . 10042 1 151 . 1 1 21 21 ASN H H 1 8.694 0.030 . 1 . . . . 21 ASN H . 10042 1 152 . 1 1 21 21 ASN HA H 1 4.813 0.030 . 1 . . . . 21 ASN HA . 10042 1 153 . 1 1 21 21 ASN HB2 H 1 3.019 0.030 . 2 . . . . 21 ASN HB2 . 10042 1 154 . 1 1 21 21 ASN HB3 H 1 2.970 0.030 . 2 . . . . 21 ASN HB3 . 10042 1 155 . 1 1 21 21 ASN HD21 H 1 7.075 0.030 . 2 . . . . 21 ASN HD21 . 10042 1 156 . 1 1 21 21 ASN HD22 H 1 7.860 0.030 . 2 . . . . 21 ASN HD22 . 10042 1 157 . 1 1 21 21 ASN C C 13 174.040 0.300 . 1 . . . . 21 ASN C . 10042 1 158 . 1 1 21 21 ASN CA C 13 53.210 0.300 . 1 . . . . 21 ASN CA . 10042 1 159 . 1 1 21 21 ASN CB C 13 38.671 0.300 . 1 . . . . 21 ASN CB . 10042 1 160 . 1 1 21 21 ASN N N 15 114.371 0.300 . 1 . . . . 21 ASN N . 10042 1 161 . 1 1 21 21 ASN ND2 N 15 112.400 0.300 . 1 . . . . 21 ASN ND2 . 10042 1 162 . 1 1 22 22 TYR H H 1 7.012 0.030 . 1 . . . . 22 TYR H . 10042 1 163 . 1 1 22 22 TYR HA H 1 5.331 0.030 . 1 . . . . 22 TYR HA . 10042 1 164 . 1 1 22 22 TYR HB2 H 1 3.426 0.030 . 2 . . . . 22 TYR HB2 . 10042 1 165 . 1 1 22 22 TYR HB3 H 1 2.940 0.030 . 2 . . . . 22 TYR HB3 . 10042 1 166 . 1 1 22 22 TYR HD1 H 1 6.789 0.030 . 1 . . . . 22 TYR HD1 . 10042 1 167 . 1 1 22 22 TYR HD2 H 1 6.789 0.030 . 1 . . . . 22 TYR HD2 . 10042 1 168 . 1 1 22 22 TYR HE1 H 1 6.750 0.030 . 1 . . . . 22 TYR HE1 . 10042 1 169 . 1 1 22 22 TYR HE2 H 1 6.750 0.030 . 1 . . . . 22 TYR HE2 . 10042 1 170 . 1 1 22 22 TYR C C 13 173.367 0.300 . 1 . . . . 22 TYR C . 10042 1 171 . 1 1 22 22 TYR CA C 13 56.865 0.300 . 1 . . . . 22 TYR CA . 10042 1 172 . 1 1 22 22 TYR CB C 13 39.704 0.300 . 1 . . . . 22 TYR CB . 10042 1 173 . 1 1 22 22 TYR CD1 C 13 133.658 0.300 . 1 . . . . 22 TYR CD1 . 10042 1 174 . 1 1 22 22 TYR CD2 C 13 133.658 0.300 . 1 . . . . 22 TYR CD2 . 10042 1 175 . 1 1 22 22 TYR CE1 C 13 117.346 0.300 . 1 . . . . 22 TYR CE1 . 10042 1 176 . 1 1 22 22 TYR CE2 C 13 117.346 0.300 . 1 . . . . 22 TYR CE2 . 10042 1 177 . 1 1 22 22 TYR N N 15 112.990 0.300 . 1 . . . . 22 TYR N . 10042 1 178 . 1 1 23 23 THR H H 1 9.096 0.030 . 1 . . . . 23 THR H . 10042 1 179 . 1 1 23 23 THR HA H 1 5.078 0.030 . 1 . . . . 23 THR HA . 10042 1 180 . 1 1 23 23 THR HB H 1 4.253 0.030 . 1 . . . . 23 THR HB . 10042 1 181 . 1 1 23 23 THR HG21 H 1 1.221 0.030 . 1 . . . . 23 THR HG2 . 10042 1 182 . 1 1 23 23 THR HG22 H 1 1.221 0.030 . 1 . . . . 23 THR HG2 . 10042 1 183 . 1 1 23 23 THR HG23 H 1 1.221 0.030 . 1 . . . . 23 THR HG2 . 10042 1 184 . 1 1 23 23 THR C C 13 172.868 0.300 . 1 . . . . 23 THR C . 10042 1 185 . 1 1 23 23 THR CA C 13 60.788 0.300 . 1 . . . . 23 THR CA . 10042 1 186 . 1 1 23 23 THR CB C 13 72.067 0.300 . 1 . . . . 23 THR CB . 10042 1 187 . 1 1 23 23 THR CG2 C 13 22.336 0.300 . 1 . . . . 23 THR CG2 . 10042 1 188 . 1 1 23 23 THR N N 15 112.533 0.300 . 1 . . . . 23 THR N . 10042 1 189 . 1 1 24 24 TRP H H 1 8.983 0.030 . 1 . . . . 24 TRP H . 10042 1 190 . 1 1 24 24 TRP HA H 1 6.090 0.030 . 1 . . . . 24 TRP HA . 10042 1 191 . 1 1 24 24 TRP HB2 H 1 3.410 0.030 . 2 . . . . 24 TRP HB2 . 10042 1 192 . 1 1 24 24 TRP HB3 H 1 3.327 0.030 . 2 . . . . 24 TRP HB3 . 10042 1 193 . 1 1 24 24 TRP HD1 H 1 7.051 0.030 . 1 . . . . 24 TRP HD1 . 10042 1 194 . 1 1 24 24 TRP HE1 H 1 11.131 0.030 . 1 . . . . 24 TRP HE1 . 10042 1 195 . 1 1 24 24 TRP HE3 H 1 7.115 0.030 . 1 . . . . 24 TRP HE3 . 10042 1 196 . 1 1 24 24 TRP HZ2 H 1 7.350 0.030 . 1 . . . . 24 TRP HZ2 . 10042 1 197 . 1 1 24 24 TRP HZ3 H 1 6.631 0.030 . 1 . . . . 24 TRP HZ3 . 10042 1 198 . 1 1 24 24 TRP HH2 H 1 6.784 0.030 . 1 . . . . 24 TRP HH2 . 10042 1 199 . 1 1 24 24 TRP C C 13 173.333 0.300 . 1 . . . . 24 TRP C . 10042 1 200 . 1 1 24 24 TRP CA C 13 55.430 0.300 . 1 . . . . 24 TRP CA . 10042 1 201 . 1 1 24 24 TRP CB C 13 33.019 0.300 . 1 . . . . 24 TRP CB . 10042 1 202 . 1 1 24 24 TRP CD1 C 13 127.003 0.300 . 1 . . . . 24 TRP CD1 . 10042 1 203 . 1 1 24 24 TRP CE3 C 13 120.043 0.300 . 1 . . . . 24 TRP CE3 . 10042 1 204 . 1 1 24 24 TRP CZ2 C 13 113.824 0.300 . 1 . . . . 24 TRP CZ2 . 10042 1 205 . 1 1 24 24 TRP CZ3 C 13 121.969 0.300 . 1 . . . . 24 TRP CZ3 . 10042 1 206 . 1 1 24 24 TRP CH2 C 13 123.823 0.300 . 1 . . . . 24 TRP CH2 . 10042 1 207 . 1 1 24 24 TRP N N 15 119.858 0.300 . 1 . . . . 24 TRP N . 10042 1 208 . 1 1 24 24 TRP NE1 N 15 132.636 0.300 . 1 . . . . 24 TRP NE1 . 10042 1 209 . 1 1 25 25 SER H H 1 9.150 0.030 . 1 . . . . 25 SER H . 10042 1 210 . 1 1 25 25 SER HA H 1 4.456 0.030 . 1 . . . . 25 SER HA . 10042 1 211 . 1 1 25 25 SER HB2 H 1 3.980 0.030 . 2 . . . . 25 SER HB2 . 10042 1 212 . 1 1 25 25 SER HB3 H 1 3.733 0.030 . 2 . . . . 25 SER HB3 . 10042 1 213 . 1 1 25 25 SER C C 13 172.826 0.300 . 1 . . . . 25 SER C . 10042 1 214 . 1 1 25 25 SER CA C 13 56.791 0.300 . 1 . . . . 25 SER CA . 10042 1 215 . 1 1 25 25 SER CB C 13 66.551 0.300 . 1 . . . . 25 SER CB . 10042 1 216 . 1 1 25 25 SER N N 15 113.769 0.300 . 1 . . . . 25 SER N . 10042 1 217 . 1 1 26 26 GLN H H 1 8.534 0.030 . 1 . . . . 26 GLN H . 10042 1 218 . 1 1 26 26 GLN HA H 1 5.312 0.030 . 1 . . . . 26 GLN HA . 10042 1 219 . 1 1 26 26 GLN HB2 H 1 2.140 0.030 . 2 . . . . 26 GLN HB2 . 10042 1 220 . 1 1 26 26 GLN HB3 H 1 1.859 0.030 . 2 . . . . 26 GLN HB3 . 10042 1 221 . 1 1 26 26 GLN HG2 H 1 1.870 0.030 . 1 . . . . 26 GLN HG2 . 10042 1 222 . 1 1 26 26 GLN HG3 H 1 1.870 0.030 . 1 . . . . 26 GLN HG3 . 10042 1 223 . 1 1 26 26 GLN C C 13 173.041 0.300 . 1 . . . . 26 GLN C . 10042 1 224 . 1 1 26 26 GLN CA C 13 54.844 0.300 . 1 . . . . 26 GLN CA . 10042 1 225 . 1 1 26 26 GLN CB C 13 33.657 0.300 . 1 . . . . 26 GLN CB . 10042 1 226 . 1 1 26 26 GLN CG C 13 32.707 0.300 . 1 . . . . 26 GLN CG . 10042 1 227 . 1 1 26 26 GLN N N 15 116.671 0.300 . 1 . . . . 26 GLN N . 10042 1 228 . 1 1 27 27 ASP H H 1 8.661 0.030 . 1 . . . . 27 ASP H . 10042 1 229 . 1 1 27 27 ASP HA H 1 4.855 0.030 . 1 . . . . 27 ASP HA . 10042 1 230 . 1 1 27 27 ASP HB2 H 1 3.286 0.030 . 2 . . . . 27 ASP HB2 . 10042 1 231 . 1 1 27 27 ASP HB3 H 1 2.798 0.030 . 2 . . . . 27 ASP HB3 . 10042 1 232 . 1 1 27 27 ASP C C 13 176.577 0.300 . 1 . . . . 27 ASP C . 10042 1 233 . 1 1 27 27 ASP CA C 13 53.059 0.300 . 1 . . . . 27 ASP CA . 10042 1 234 . 1 1 27 27 ASP CB C 13 42.106 0.300 . 1 . . . . 27 ASP CB . 10042 1 235 . 1 1 27 27 ASP N N 15 122.190 0.300 . 1 . . . . 27 ASP N . 10042 1 236 . 1 1 28 28 TYR H H 1 8.442 0.030 . 1 . . . . 28 TYR H . 10042 1 237 . 1 1 28 28 TYR HA H 1 4.070 0.030 . 1 . . . . 28 TYR HA . 10042 1 238 . 1 1 28 28 TYR HB2 H 1 3.130 0.030 . 1 . . . . 28 TYR HB2 . 10042 1 239 . 1 1 28 28 TYR HB3 H 1 3.130 0.030 . 1 . . . . 28 TYR HB3 . 10042 1 240 . 1 1 28 28 TYR HD1 H 1 7.108 0.030 . 1 . . . . 28 TYR HD1 . 10042 1 241 . 1 1 28 28 TYR HD2 H 1 7.108 0.030 . 1 . . . . 28 TYR HD2 . 10042 1 242 . 1 1 28 28 TYR HE1 H 1 6.802 0.030 . 1 . . . . 28 TYR HE1 . 10042 1 243 . 1 1 28 28 TYR HE2 H 1 6.802 0.030 . 1 . . . . 28 TYR HE2 . 10042 1 244 . 1 1 28 28 TYR C C 13 176.304 0.300 . 1 . . . . 28 TYR C . 10042 1 245 . 1 1 28 28 TYR CA C 13 62.173 0.300 . 1 . . . . 28 TYR CA . 10042 1 246 . 1 1 28 28 TYR CB C 13 38.503 0.300 . 1 . . . . 28 TYR CB . 10042 1 247 . 1 1 28 28 TYR CD1 C 13 132.625 0.300 . 1 . . . . 28 TYR CD1 . 10042 1 248 . 1 1 28 28 TYR CD2 C 13 132.625 0.300 . 1 . . . . 28 TYR CD2 . 10042 1 249 . 1 1 28 28 TYR CE1 C 13 118.353 0.300 . 1 . . . . 28 TYR CE1 . 10042 1 250 . 1 1 28 28 TYR CE2 C 13 118.353 0.300 . 1 . . . . 28 TYR CE2 . 10042 1 251 . 1 1 28 28 TYR N N 15 116.582 0.300 . 1 . . . . 28 TYR N . 10042 1 252 . 1 1 29 29 THR H H 1 8.197 0.030 . 1 . . . . 29 THR H . 10042 1 253 . 1 1 29 29 THR HA H 1 4.556 0.030 . 1 . . . . 29 THR HA . 10042 1 254 . 1 1 29 29 THR HB H 1 4.330 0.030 . 1 . . . . 29 THR HB . 10042 1 255 . 1 1 29 29 THR HG21 H 1 1.131 0.030 . 1 . . . . 29 THR HG2 . 10042 1 256 . 1 1 29 29 THR HG22 H 1 1.131 0.030 . 1 . . . . 29 THR HG2 . 10042 1 257 . 1 1 29 29 THR HG23 H 1 1.131 0.030 . 1 . . . . 29 THR HG2 . 10042 1 258 . 1 1 29 29 THR C C 13 174.590 0.300 . 1 . . . . 29 THR C . 10042 1 259 . 1 1 29 29 THR CA C 13 62.217 0.300 . 1 . . . . 29 THR CA . 10042 1 260 . 1 1 29 29 THR CB C 13 70.926 0.300 . 1 . . . . 29 THR CB . 10042 1 261 . 1 1 29 29 THR CG2 C 13 21.295 0.300 . 1 . . . . 29 THR CG2 . 10042 1 262 . 1 1 29 29 THR N N 15 103.726 0.300 . 1 . . . . 29 THR N . 10042 1 263 . 1 1 30 30 ASP H H 1 8.847 0.030 . 1 . . . . 30 ASP H . 10042 1 264 . 1 1 30 30 ASP HA H 1 5.661 0.030 . 1 . . . . 30 ASP HA . 10042 1 265 . 1 1 30 30 ASP HB2 H 1 2.502 0.030 . 1 . . . . 30 ASP HB2 . 10042 1 266 . 1 1 30 30 ASP HB3 H 1 2.502 0.030 . 1 . . . . 30 ASP HB3 . 10042 1 267 . 1 1 30 30 ASP C C 13 174.232 0.300 . 1 . . . . 30 ASP C . 10042 1 268 . 1 1 30 30 ASP CA C 13 54.392 0.300 . 1 . . . . 30 ASP CA . 10042 1 269 . 1 1 30 30 ASP CB C 13 45.843 0.300 . 1 . . . . 30 ASP CB . 10042 1 270 . 1 1 30 30 ASP N N 15 123.795 0.300 . 1 . . . . 30 ASP N . 10042 1 271 . 1 1 31 31 LEU H H 1 9.073 0.030 . 1 . . . . 31 LEU H . 10042 1 272 . 1 1 31 31 LEU HA H 1 5.027 0.030 . 1 . . . . 31 LEU HA . 10042 1 273 . 1 1 31 31 LEU HB2 H 1 1.380 0.030 . 2 . . . . 31 LEU HB2 . 10042 1 274 . 1 1 31 31 LEU HB3 H 1 1.180 0.030 . 2 . . . . 31 LEU HB3 . 10042 1 275 . 1 1 31 31 LEU HG H 1 0.860 0.030 . 1 . . . . 31 LEU HG . 10042 1 276 . 1 1 31 31 LEU HD11 H 1 -0.672 0.030 . 1 . . . . 31 LEU HD1 . 10042 1 277 . 1 1 31 31 LEU HD12 H 1 -0.672 0.030 . 1 . . . . 31 LEU HD1 . 10042 1 278 . 1 1 31 31 LEU HD13 H 1 -0.672 0.030 . 1 . . . . 31 LEU HD1 . 10042 1 279 . 1 1 31 31 LEU HD21 H 1 -0.027 0.030 . 1 . . . . 31 LEU HD2 . 10042 1 280 . 1 1 31 31 LEU HD22 H 1 -0.027 0.030 . 1 . . . . 31 LEU HD2 . 10042 1 281 . 1 1 31 31 LEU HD23 H 1 -0.027 0.030 . 1 . . . . 31 LEU HD2 . 10042 1 282 . 1 1 31 31 LEU C C 13 175.641 0.300 . 1 . . . . 31 LEU C . 10042 1 283 . 1 1 31 31 LEU CA C 13 54.629 0.300 . 1 . . . . 31 LEU CA . 10042 1 284 . 1 1 31 31 LEU CB C 13 44.807 0.300 . 1 . . . . 31 LEU CB . 10042 1 285 . 1 1 31 31 LEU CG C 13 26.897 0.300 . 1 . . . . 31 LEU CG . 10042 1 286 . 1 1 31 31 LEU CD1 C 13 25.201 0.300 . 2 . . . . 31 LEU CD1 . 10042 1 287 . 1 1 31 31 LEU CD2 C 13 25.922 0.300 . 2 . . . . 31 LEU CD2 . 10042 1 288 . 1 1 31 31 LEU N N 15 118.123 0.300 . 1 . . . . 31 LEU N . 10042 1 289 . 1 1 32 32 GLU H H 1 8.611 0.030 . 1 . . . . 32 GLU H . 10042 1 290 . 1 1 32 32 GLU HA H 1 5.126 0.030 . 1 . . . . 32 GLU HA . 10042 1 291 . 1 1 32 32 GLU HB2 H 1 1.871 0.030 . 1 . . . . 32 GLU HB2 . 10042 1 292 . 1 1 32 32 GLU HB3 H 1 1.871 0.030 . 1 . . . . 32 GLU HB3 . 10042 1 293 . 1 1 32 32 GLU HG2 H 1 2.119 0.030 . 2 . . . . 32 GLU HG2 . 10042 1 294 . 1 1 32 32 GLU HG3 H 1 1.860 0.030 . 2 . . . . 32 GLU HG3 . 10042 1 295 . 1 1 32 32 GLU C C 13 175.011 0.300 . 1 . . . . 32 GLU C . 10042 1 296 . 1 1 32 32 GLU CA C 13 55.429 0.300 . 1 . . . . 32 GLU CA . 10042 1 297 . 1 1 32 32 GLU CB C 13 32.553 0.300 . 1 . . . . 32 GLU CB . 10042 1 298 . 1 1 32 32 GLU CG C 13 37.703 0.300 . 1 . . . . 32 GLU CG . 10042 1 299 . 1 1 32 32 GLU N N 15 122.909 0.300 . 1 . . . . 32 GLU N . 10042 1 300 . 1 1 33 33 VAL H H 1 9.512 0.030 . 1 . . . . 33 VAL H . 10042 1 301 . 1 1 33 33 VAL HA H 1 4.855 0.030 . 1 . . . . 33 VAL HA . 10042 1 302 . 1 1 33 33 VAL HB H 1 1.920 0.030 . 1 . . . . 33 VAL HB . 10042 1 303 . 1 1 33 33 VAL HG11 H 1 0.700 0.030 . 1 . . . . 33 VAL HG1 . 10042 1 304 . 1 1 33 33 VAL HG12 H 1 0.700 0.030 . 1 . . . . 33 VAL HG1 . 10042 1 305 . 1 1 33 33 VAL HG13 H 1 0.700 0.030 . 1 . . . . 33 VAL HG1 . 10042 1 306 . 1 1 33 33 VAL HG21 H 1 0.771 0.030 . 1 . . . . 33 VAL HG2 . 10042 1 307 . 1 1 33 33 VAL HG22 H 1 0.771 0.030 . 1 . . . . 33 VAL HG2 . 10042 1 308 . 1 1 33 33 VAL HG23 H 1 0.771 0.030 . 1 . . . . 33 VAL HG2 . 10042 1 309 . 1 1 33 33 VAL C C 13 174.206 0.300 . 1 . . . . 33 VAL C . 10042 1 310 . 1 1 33 33 VAL CA C 13 61.005 0.300 . 1 . . . . 33 VAL CA . 10042 1 311 . 1 1 33 33 VAL CB C 13 34.331 0.300 . 1 . . . . 33 VAL CB . 10042 1 312 . 1 1 33 33 VAL CG1 C 13 21.557 0.300 . 2 . . . . 33 VAL CG1 . 10042 1 313 . 1 1 33 33 VAL CG2 C 13 21.974 0.300 . 2 . . . . 33 VAL CG2 . 10042 1 314 . 1 1 33 33 VAL N N 15 127.595 0.300 . 1 . . . . 33 VAL N . 10042 1 315 . 1 1 34 34 ARG H H 1 9.478 0.030 . 1 . . . . 34 ARG H . 10042 1 316 . 1 1 34 34 ARG HA H 1 5.269 0.030 . 1 . . . . 34 ARG HA . 10042 1 317 . 1 1 34 34 ARG HB2 H 1 1.740 0.030 . 2 . . . . 34 ARG HB2 . 10042 1 318 . 1 1 34 34 ARG HB3 H 1 1.660 0.030 . 2 . . . . 34 ARG HB3 . 10042 1 319 . 1 1 34 34 ARG HG2 H 1 1.444 0.030 . 2 . . . . 34 ARG HG2 . 10042 1 320 . 1 1 34 34 ARG HG3 H 1 1.650 0.030 . 2 . . . . 34 ARG HG3 . 10042 1 321 . 1 1 34 34 ARG HD2 H 1 3.099 0.030 . 2 . . . . 34 ARG HD2 . 10042 1 322 . 1 1 34 34 ARG HD3 H 1 3.041 0.030 . 2 . . . . 34 ARG HD3 . 10042 1 323 . 1 1 34 34 ARG HE H 1 7.300 0.030 . 1 . . . . 34 ARG HE . 10042 1 324 . 1 1 34 34 ARG C C 13 175.466 0.300 . 1 . . . . 34 ARG C . 10042 1 325 . 1 1 34 34 ARG CA C 13 55.072 0.300 . 1 . . . . 34 ARG CA . 10042 1 326 . 1 1 34 34 ARG CB C 13 31.989 0.300 . 1 . . . . 34 ARG CB . 10042 1 327 . 1 1 34 34 ARG CG C 13 29.304 0.300 . 1 . . . . 34 ARG CG . 10042 1 328 . 1 1 34 34 ARG CD C 13 43.350 0.300 . 1 . . . . 34 ARG CD . 10042 1 329 . 1 1 34 34 ARG N N 15 126.784 0.300 . 1 . . . . 34 ARG N . 10042 1 330 . 1 1 34 34 ARG NE N 15 85.716 0.300 . 1 . . . . 34 ARG NE . 10042 1 331 . 1 1 35 35 VAL H H 1 9.408 0.030 . 1 . . . . 35 VAL H . 10042 1 332 . 1 1 35 35 VAL HA H 1 4.766 0.030 . 1 . . . . 35 VAL HA . 10042 1 333 . 1 1 35 35 VAL HB H 1 2.132 0.030 . 1 . . . . 35 VAL HB . 10042 1 334 . 1 1 35 35 VAL HG11 H 1 0.959 0.030 . 1 . . . . 35 VAL HG1 . 10042 1 335 . 1 1 35 35 VAL HG12 H 1 0.959 0.030 . 1 . . . . 35 VAL HG1 . 10042 1 336 . 1 1 35 35 VAL HG13 H 1 0.959 0.030 . 1 . . . . 35 VAL HG1 . 10042 1 337 . 1 1 35 35 VAL HG21 H 1 0.911 0.030 . 1 . . . . 35 VAL HG2 . 10042 1 338 . 1 1 35 35 VAL HG22 H 1 0.911 0.030 . 1 . . . . 35 VAL HG2 . 10042 1 339 . 1 1 35 35 VAL HG23 H 1 0.911 0.030 . 1 . . . . 35 VAL HG2 . 10042 1 340 . 1 1 35 35 VAL C C 13 173.600 0.300 . 1 . . . . 35 VAL C . 10042 1 341 . 1 1 35 35 VAL CA C 13 59.002 0.300 . 1 . . . . 35 VAL CA . 10042 1 342 . 1 1 35 35 VAL CB C 13 33.768 0.300 . 1 . . . . 35 VAL CB . 10042 1 343 . 1 1 35 35 VAL CG1 C 13 22.308 0.300 . 2 . . . . 35 VAL CG1 . 10042 1 344 . 1 1 35 35 VAL CG2 C 13 21.566 0.300 . 2 . . . . 35 VAL CG2 . 10042 1 345 . 1 1 35 35 VAL N N 15 125.900 0.300 . 1 . . . . 35 VAL N . 10042 1 346 . 1 1 36 36 PRO HA H 1 4.627 0.030 . 1 . . . . 36 PRO HA . 10042 1 347 . 1 1 36 36 PRO HB2 H 1 2.390 0.030 . 2 . . . . 36 PRO HB2 . 10042 1 348 . 1 1 36 36 PRO HB3 H 1 1.853 0.030 . 2 . . . . 36 PRO HB3 . 10042 1 349 . 1 1 36 36 PRO HG2 H 1 1.921 0.030 . 2 . . . . 36 PRO HG2 . 10042 1 350 . 1 1 36 36 PRO HG3 H 1 2.119 0.030 . 2 . . . . 36 PRO HG3 . 10042 1 351 . 1 1 36 36 PRO HD2 H 1 3.879 0.030 . 2 . . . . 36 PRO HD2 . 10042 1 352 . 1 1 36 36 PRO HD3 H 1 4.050 0.030 . 2 . . . . 36 PRO HD3 . 10042 1 353 . 1 1 36 36 PRO C C 13 175.894 0.300 . 1 . . . . 36 PRO C . 10042 1 354 . 1 1 36 36 PRO CA C 13 63.685 0.300 . 1 . . . . 36 PRO CA . 10042 1 355 . 1 1 36 36 PRO CB C 13 32.634 0.300 . 1 . . . . 36 PRO CB . 10042 1 356 . 1 1 36 36 PRO CG C 13 27.811 0.300 . 1 . . . . 36 PRO CG . 10042 1 357 . 1 1 36 36 PRO CD C 13 51.459 0.300 . 1 . . . . 36 PRO CD . 10042 1 358 . 1 1 37 37 VAL H H 1 7.330 0.030 . 1 . . . . 37 VAL H . 10042 1 359 . 1 1 37 37 VAL HA H 1 4.813 0.030 . 1 . . . . 37 VAL HA . 10042 1 360 . 1 1 37 37 VAL HB H 1 1.881 0.030 . 1 . . . . 37 VAL HB . 10042 1 361 . 1 1 37 37 VAL HG11 H 1 0.789 0.030 . 1 . . . . 37 VAL HG1 . 10042 1 362 . 1 1 37 37 VAL HG12 H 1 0.789 0.030 . 1 . . . . 37 VAL HG1 . 10042 1 363 . 1 1 37 37 VAL HG13 H 1 0.789 0.030 . 1 . . . . 37 VAL HG1 . 10042 1 364 . 1 1 37 37 VAL HG21 H 1 0.510 0.030 . 1 . . . . 37 VAL HG2 . 10042 1 365 . 1 1 37 37 VAL HG22 H 1 0.510 0.030 . 1 . . . . 37 VAL HG2 . 10042 1 366 . 1 1 37 37 VAL HG23 H 1 0.510 0.030 . 1 . . . . 37 VAL HG2 . 10042 1 367 . 1 1 37 37 VAL C C 13 172.782 0.300 . 1 . . . . 37 VAL C . 10042 1 368 . 1 1 37 37 VAL CA C 13 56.950 0.300 . 1 . . . . 37 VAL CA . 10042 1 369 . 1 1 37 37 VAL CB C 13 32.951 0.300 . 1 . . . . 37 VAL CB . 10042 1 370 . 1 1 37 37 VAL CG1 C 13 22.522 0.300 . 2 . . . . 37 VAL CG1 . 10042 1 371 . 1 1 37 37 VAL CG2 C 13 17.329 0.300 . 2 . . . . 37 VAL CG2 . 10042 1 372 . 1 1 37 37 VAL N N 15 112.659 0.300 . 1 . . . . 37 VAL N . 10042 1 373 . 1 1 38 38 PRO HA H 1 4.481 0.030 . 1 . . . . 38 PRO HA . 10042 1 374 . 1 1 38 38 PRO HB2 H 1 1.732 0.030 . 2 . . . . 38 PRO HB2 . 10042 1 375 . 1 1 38 38 PRO HB3 H 1 2.491 0.030 . 2 . . . . 38 PRO HB3 . 10042 1 376 . 1 1 38 38 PRO HG2 H 1 1.937 0.030 . 2 . . . . 38 PRO HG2 . 10042 1 377 . 1 1 38 38 PRO HG3 H 1 1.680 0.030 . 2 . . . . 38 PRO HG3 . 10042 1 378 . 1 1 38 38 PRO HD2 H 1 3.348 0.030 . 2 . . . . 38 PRO HD2 . 10042 1 379 . 1 1 38 38 PRO HD3 H 1 3.672 0.030 . 2 . . . . 38 PRO HD3 . 10042 1 380 . 1 1 38 38 PRO C C 13 177.013 0.300 . 1 . . . . 38 PRO C . 10042 1 381 . 1 1 38 38 PRO CA C 13 61.856 0.300 . 1 . . . . 38 PRO CA . 10042 1 382 . 1 1 38 38 PRO CB C 13 33.269 0.300 . 1 . . . . 38 PRO CB . 10042 1 383 . 1 1 38 38 PRO CG C 13 27.928 0.300 . 1 . . . . 38 PRO CG . 10042 1 384 . 1 1 38 38 PRO CD C 13 50.490 0.300 . 1 . . . . 38 PRO CD . 10042 1 385 . 1 1 39 39 LYS H H 1 8.260 0.030 . 1 . . . . 39 LYS H . 10042 1 386 . 1 1 39 39 LYS HA H 1 4.060 0.030 . 1 . . . . 39 LYS HA . 10042 1 387 . 1 1 39 39 LYS HB2 H 1 1.920 0.030 . 2 . . . . 39 LYS HB2 . 10042 1 388 . 1 1 39 39 LYS HB3 H 1 1.870 0.030 . 2 . . . . 39 LYS HB3 . 10042 1 389 . 1 1 39 39 LYS HG2 H 1 1.590 0.030 . 1 . . . . 39 LYS HG2 . 10042 1 390 . 1 1 39 39 LYS HG3 H 1 1.590 0.030 . 1 . . . . 39 LYS HG3 . 10042 1 391 . 1 1 39 39 LYS HD2 H 1 1.770 0.030 . 1 . . . . 39 LYS HD2 . 10042 1 392 . 1 1 39 39 LYS HD3 H 1 1.770 0.030 . 1 . . . . 39 LYS HD3 . 10042 1 393 . 1 1 39 39 LYS HE2 H 1 3.053 0.030 . 1 . . . . 39 LYS HE2 . 10042 1 394 . 1 1 39 39 LYS HE3 H 1 3.053 0.030 . 1 . . . . 39 LYS HE3 . 10042 1 395 . 1 1 39 39 LYS C C 13 176.165 0.300 . 1 . . . . 39 LYS C . 10042 1 396 . 1 1 39 39 LYS CA C 13 58.715 0.300 . 1 . . . . 39 LYS CA . 10042 1 397 . 1 1 39 39 LYS CB C 13 32.892 0.300 . 1 . . . . 39 LYS CB . 10042 1 398 . 1 1 39 39 LYS CG C 13 24.742 0.300 . 1 . . . . 39 LYS CG . 10042 1 399 . 1 1 39 39 LYS CD C 13 29.304 0.300 . 1 . . . . 39 LYS CD . 10042 1 400 . 1 1 39 39 LYS CE C 13 42.264 0.300 . 1 . . . . 39 LYS CE . 10042 1 401 . 1 1 39 39 LYS N N 15 116.685 0.300 . 1 . . . . 39 LYS N . 10042 1 402 . 1 1 40 40 HIS H H 1 7.449 0.030 . 1 . . . . 40 HIS H . 10042 1 403 . 1 1 40 40 HIS HA H 1 4.656 0.030 . 1 . . . . 40 HIS HA . 10042 1 404 . 1 1 40 40 HIS HB2 H 1 3.439 0.030 . 2 . . . . 40 HIS HB2 . 10042 1 405 . 1 1 40 40 HIS HB3 H 1 2.877 0.030 . 2 . . . . 40 HIS HB3 . 10042 1 406 . 1 1 40 40 HIS HD2 H 1 6.900 0.030 . 1 . . . . 40 HIS HD2 . 10042 1 407 . 1 1 40 40 HIS HE1 H 1 7.718 0.030 . 1 . . . . 40 HIS HE1 . 10042 1 408 . 1 1 40 40 HIS C C 13 175.895 0.300 . 1 . . . . 40 HIS C . 10042 1 409 . 1 1 40 40 HIS CA C 13 56.348 0.300 . 1 . . . . 40 HIS CA . 10042 1 410 . 1 1 40 40 HIS CB C 13 30.224 0.300 . 1 . . . . 40 HIS CB . 10042 1 411 . 1 1 40 40 HIS CD2 C 13 118.006 0.300 . 1 . . . . 40 HIS CD2 . 10042 1 412 . 1 1 40 40 HIS CE1 C 13 139.398 0.300 . 1 . . . . 40 HIS CE1 . 10042 1 413 . 1 1 40 40 HIS N N 15 110.703 0.300 . 1 . . . . 40 HIS N . 10042 1 414 . 1 1 41 41 VAL H H 1 7.469 0.030 . 1 . . . . 41 VAL H . 10042 1 415 . 1 1 41 41 VAL HA H 1 3.840 0.030 . 1 . . . . 41 VAL HA . 10042 1 416 . 1 1 41 41 VAL HB H 1 2.032 0.030 . 1 . . . . 41 VAL HB . 10042 1 417 . 1 1 41 41 VAL HG11 H 1 0.682 0.030 . 1 . . . . 41 VAL HG1 . 10042 1 418 . 1 1 41 41 VAL HG12 H 1 0.682 0.030 . 1 . . . . 41 VAL HG1 . 10042 1 419 . 1 1 41 41 VAL HG13 H 1 0.682 0.030 . 1 . . . . 41 VAL HG1 . 10042 1 420 . 1 1 41 41 VAL HG21 H 1 0.460 0.030 . 1 . . . . 41 VAL HG2 . 10042 1 421 . 1 1 41 41 VAL HG22 H 1 0.460 0.030 . 1 . . . . 41 VAL HG2 . 10042 1 422 . 1 1 41 41 VAL HG23 H 1 0.460 0.030 . 1 . . . . 41 VAL HG2 . 10042 1 423 . 1 1 41 41 VAL C C 13 173.750 0.300 . 1 . . . . 41 VAL C . 10042 1 424 . 1 1 41 41 VAL CA C 13 63.133 0.300 . 1 . . . . 41 VAL CA . 10042 1 425 . 1 1 41 41 VAL CB C 13 28.996 0.300 . 1 . . . . 41 VAL CB . 10042 1 426 . 1 1 41 41 VAL CG1 C 13 21.674 0.300 . 2 . . . . 41 VAL CG1 . 10042 1 427 . 1 1 41 41 VAL CG2 C 13 22.229 0.300 . 2 . . . . 41 VAL CG2 . 10042 1 428 . 1 1 41 41 VAL N N 15 126.351 0.300 . 1 . . . . 41 VAL N . 10042 1 429 . 1 1 42 42 VAL H H 1 8.282 0.030 . 1 . . . . 42 VAL H . 10042 1 430 . 1 1 42 42 VAL HA H 1 4.371 0.030 . 1 . . . . 42 VAL HA . 10042 1 431 . 1 1 42 42 VAL HB H 1 2.420 0.030 . 1 . . . . 42 VAL HB . 10042 1 432 . 1 1 42 42 VAL HG11 H 1 0.805 0.030 . 1 . . . . 42 VAL HG1 . 10042 1 433 . 1 1 42 42 VAL HG12 H 1 0.805 0.030 . 1 . . . . 42 VAL HG1 . 10042 1 434 . 1 1 42 42 VAL HG13 H 1 0.805 0.030 . 1 . . . . 42 VAL HG1 . 10042 1 435 . 1 1 42 42 VAL HG21 H 1 0.920 0.030 . 1 . . . . 42 VAL HG2 . 10042 1 436 . 1 1 42 42 VAL HG22 H 1 0.920 0.030 . 1 . . . . 42 VAL HG2 . 10042 1 437 . 1 1 42 42 VAL HG23 H 1 0.920 0.030 . 1 . . . . 42 VAL HG2 . 10042 1 438 . 1 1 42 42 VAL C C 13 174.749 0.300 . 1 . . . . 42 VAL C . 10042 1 439 . 1 1 42 42 VAL CA C 13 60.733 0.300 . 1 . . . . 42 VAL CA . 10042 1 440 . 1 1 42 42 VAL CB C 13 33.684 0.300 . 1 . . . . 42 VAL CB . 10042 1 441 . 1 1 42 42 VAL CG1 C 13 21.267 0.300 . 2 . . . . 42 VAL CG1 . 10042 1 442 . 1 1 42 42 VAL CG2 C 13 18.081 0.300 . 2 . . . . 42 VAL CG2 . 10042 1 443 . 1 1 42 42 VAL N N 15 117.769 0.300 . 1 . . . . 42 VAL N . 10042 1 444 . 1 1 43 43 LYS H H 1 8.519 0.030 . 1 . . . . 43 LYS H . 10042 1 445 . 1 1 43 43 LYS HA H 1 4.813 0.030 . 1 . . . . 43 LYS HA . 10042 1 446 . 1 1 43 43 LYS HB2 H 1 2.086 0.030 . 2 . . . . 43 LYS HB2 . 10042 1 447 . 1 1 43 43 LYS HB3 H 1 1.861 0.030 . 2 . . . . 43 LYS HB3 . 10042 1 448 . 1 1 43 43 LYS HG2 H 1 1.500 0.030 . 1 . . . . 43 LYS HG2 . 10042 1 449 . 1 1 43 43 LYS HG3 H 1 1.500 0.030 . 1 . . . . 43 LYS HG3 . 10042 1 450 . 1 1 43 43 LYS HD2 H 1 1.780 0.030 . 2 . . . . 43 LYS HD2 . 10042 1 451 . 1 1 43 43 LYS HD3 H 1 1.700 0.030 . 2 . . . . 43 LYS HD3 . 10042 1 452 . 1 1 43 43 LYS HE2 H 1 3.008 0.030 . 1 . . . . 43 LYS HE2 . 10042 1 453 . 1 1 43 43 LYS HE3 H 1 3.008 0.030 . 1 . . . . 43 LYS HE3 . 10042 1 454 . 1 1 43 43 LYS C C 13 177.007 0.300 . 1 . . . . 43 LYS C . 10042 1 455 . 1 1 43 43 LYS CA C 13 54.422 0.300 . 1 . . . . 43 LYS CA . 10042 1 456 . 1 1 43 43 LYS CB C 13 35.809 0.300 . 1 . . . . 43 LYS CB . 10042 1 457 . 1 1 43 43 LYS CG C 13 25.200 0.300 . 1 . . . . 43 LYS CG . 10042 1 458 . 1 1 43 43 LYS CD C 13 29.192 0.300 . 1 . . . . 43 LYS CD . 10042 1 459 . 1 1 43 43 LYS CE C 13 42.287 0.300 . 1 . . . . 43 LYS CE . 10042 1 460 . 1 1 43 43 LYS N N 15 122.543 0.300 . 1 . . . . 43 LYS N . 10042 1 461 . 1 1 44 44 GLY H H 1 8.965 0.030 . 1 . . . . 44 GLY H . 10042 1 462 . 1 1 44 44 GLY HA2 H 1 4.163 0.030 . 2 . . . . 44 GLY HA2 . 10042 1 463 . 1 1 44 44 GLY HA3 H 1 3.767 0.030 . 2 . . . . 44 GLY HA3 . 10042 1 464 . 1 1 44 44 GLY C C 13 175.124 0.300 . 1 . . . . 44 GLY C . 10042 1 465 . 1 1 44 44 GLY CA C 13 47.808 0.300 . 1 . . . . 44 GLY CA . 10042 1 466 . 1 1 45 45 LYS H H 1 7.863 0.030 . 1 . . . . 45 LYS H . 10042 1 467 . 1 1 45 45 LYS HA H 1 4.470 0.030 . 1 . . . . 45 LYS HA . 10042 1 468 . 1 1 45 45 LYS HB2 H 1 1.939 0.030 . 1 . . . . 45 LYS HB2 . 10042 1 469 . 1 1 45 45 LYS HB3 H 1 1.939 0.030 . 1 . . . . 45 LYS HB3 . 10042 1 470 . 1 1 45 45 LYS HG2 H 1 1.524 0.030 . 2 . . . . 45 LYS HG2 . 10042 1 471 . 1 1 45 45 LYS HG3 H 1 1.400 0.030 . 2 . . . . 45 LYS HG3 . 10042 1 472 . 1 1 45 45 LYS HD2 H 1 1.759 0.030 . 1 . . . . 45 LYS HD2 . 10042 1 473 . 1 1 45 45 LYS HD3 H 1 1.759 0.030 . 1 . . . . 45 LYS HD3 . 10042 1 474 . 1 1 45 45 LYS HE2 H 1 3.016 0.030 . 2 . . . . 45 LYS HE2 . 10042 1 475 . 1 1 45 45 LYS HE3 H 1 2.921 0.030 . 2 . . . . 45 LYS HE3 . 10042 1 476 . 1 1 45 45 LYS C C 13 177.388 0.300 . 1 . . . . 45 LYS C . 10042 1 477 . 1 1 45 45 LYS CA C 13 57.398 0.300 . 1 . . . . 45 LYS CA . 10042 1 478 . 1 1 45 45 LYS CB C 13 31.888 0.300 . 1 . . . . 45 LYS CB . 10042 1 479 . 1 1 45 45 LYS CG C 13 24.525 0.300 . 1 . . . . 45 LYS CG . 10042 1 480 . 1 1 45 45 LYS CD C 13 29.187 0.300 . 1 . . . . 45 LYS CD . 10042 1 481 . 1 1 45 45 LYS CE C 13 42.047 0.300 . 1 . . . . 45 LYS CE . 10042 1 482 . 1 1 45 45 LYS N N 15 114.732 0.300 . 1 . . . . 45 LYS N . 10042 1 483 . 1 1 46 46 GLN H H 1 8.149 0.030 . 1 . . . . 46 GLN H . 10042 1 484 . 1 1 46 46 GLN HA H 1 4.342 0.030 . 1 . . . . 46 GLN HA . 10042 1 485 . 1 1 46 46 GLN HB2 H 1 2.559 0.030 . 1 . . . . 46 GLN HB2 . 10042 1 486 . 1 1 46 46 GLN HB3 H 1 2.559 0.030 . 1 . . . . 46 GLN HB3 . 10042 1 487 . 1 1 46 46 GLN HG2 H 1 2.609 0.030 . 2 . . . . 46 GLN HG2 . 10042 1 488 . 1 1 46 46 GLN HG3 H 1 2.208 0.030 . 2 . . . . 46 GLN HG3 . 10042 1 489 . 1 1 46 46 GLN HE21 H 1 8.317 0.030 . 2 . . . . 46 GLN HE21 . 10042 1 490 . 1 1 46 46 GLN HE22 H 1 6.996 0.030 . 2 . . . . 46 GLN HE22 . 10042 1 491 . 1 1 46 46 GLN C C 13 174.451 0.300 . 1 . . . . 46 GLN C . 10042 1 492 . 1 1 46 46 GLN CA C 13 57.372 0.300 . 1 . . . . 46 GLN CA . 10042 1 493 . 1 1 46 46 GLN CB C 13 32.567 0.300 . 1 . . . . 46 GLN CB . 10042 1 494 . 1 1 46 46 GLN CG C 13 37.051 0.300 . 1 . . . . 46 GLN CG . 10042 1 495 . 1 1 46 46 GLN N N 15 117.079 0.300 . 1 . . . . 46 GLN N . 10042 1 496 . 1 1 46 46 GLN NE2 N 15 112.571 0.300 . 1 . . . . 46 GLN NE2 . 10042 1 497 . 1 1 47 47 VAL H H 1 7.963 0.030 . 1 . . . . 47 VAL H . 10042 1 498 . 1 1 47 47 VAL HA H 1 4.970 0.030 . 1 . . . . 47 VAL HA . 10042 1 499 . 1 1 47 47 VAL HB H 1 2.020 0.030 . 1 . . . . 47 VAL HB . 10042 1 500 . 1 1 47 47 VAL HG11 H 1 0.555 0.030 . 1 . . . . 47 VAL HG1 . 10042 1 501 . 1 1 47 47 VAL HG12 H 1 0.555 0.030 . 1 . . . . 47 VAL HG1 . 10042 1 502 . 1 1 47 47 VAL HG13 H 1 0.555 0.030 . 1 . . . . 47 VAL HG1 . 10042 1 503 . 1 1 47 47 VAL HG21 H 1 0.780 0.030 . 1 . . . . 47 VAL HG2 . 10042 1 504 . 1 1 47 47 VAL HG22 H 1 0.780 0.030 . 1 . . . . 47 VAL HG2 . 10042 1 505 . 1 1 47 47 VAL HG23 H 1 0.780 0.030 . 1 . . . . 47 VAL HG2 . 10042 1 506 . 1 1 47 47 VAL C C 13 173.489 0.300 . 1 . . . . 47 VAL C . 10042 1 507 . 1 1 47 47 VAL CA C 13 59.663 0.300 . 1 . . . . 47 VAL CA . 10042 1 508 . 1 1 47 47 VAL CB C 13 35.474 0.300 . 1 . . . . 47 VAL CB . 10042 1 509 . 1 1 47 47 VAL CG1 C 13 22.425 0.300 . 2 . . . . 47 VAL CG1 . 10042 1 510 . 1 1 47 47 VAL CG2 C 13 20.815 0.300 . 2 . . . . 47 VAL CG2 . 10042 1 511 . 1 1 47 47 VAL N N 15 115.011 0.300 . 1 . . . . 47 VAL N . 10042 1 512 . 1 1 48 48 SER H H 1 8.601 0.030 . 1 . . . . 48 SER H . 10042 1 513 . 1 1 48 48 SER HA H 1 4.602 0.030 . 1 . . . . 48 SER HA . 10042 1 514 . 1 1 48 48 SER HB2 H 1 3.582 0.030 . 2 . . . . 48 SER HB2 . 10042 1 515 . 1 1 48 48 SER HB3 H 1 3.455 0.030 . 2 . . . . 48 SER HB3 . 10042 1 516 . 1 1 48 48 SER C C 13 173.269 0.300 . 1 . . . . 48 SER C . 10042 1 517 . 1 1 48 48 SER CA C 13 55.889 0.300 . 1 . . . . 48 SER CA . 10042 1 518 . 1 1 48 48 SER CB C 13 65.059 0.300 . 1 . . . . 48 SER CB . 10042 1 519 . 1 1 48 48 SER N N 15 115.386 0.300 . 1 . . . . 48 SER N . 10042 1 520 . 1 1 49 49 VAL H H 1 8.073 0.030 . 1 . . . . 49 VAL H . 10042 1 521 . 1 1 49 49 VAL HA H 1 4.456 0.030 . 1 . . . . 49 VAL HA . 10042 1 522 . 1 1 49 49 VAL HB H 1 0.480 0.030 . 1 . . . . 49 VAL HB . 10042 1 523 . 1 1 49 49 VAL HG11 H 1 0.290 0.030 . 1 . . . . 49 VAL HG1 . 10042 1 524 . 1 1 49 49 VAL HG12 H 1 0.290 0.030 . 1 . . . . 49 VAL HG1 . 10042 1 525 . 1 1 49 49 VAL HG13 H 1 0.290 0.030 . 1 . . . . 49 VAL HG1 . 10042 1 526 . 1 1 49 49 VAL HG21 H 1 -0.340 0.030 . 1 . . . . 49 VAL HG2 . 10042 1 527 . 1 1 49 49 VAL HG22 H 1 -0.340 0.030 . 1 . . . . 49 VAL HG2 . 10042 1 528 . 1 1 49 49 VAL HG23 H 1 -0.340 0.030 . 1 . . . . 49 VAL HG2 . 10042 1 529 . 1 1 49 49 VAL C C 13 174.092 0.300 . 1 . . . . 49 VAL C . 10042 1 530 . 1 1 49 49 VAL CA C 13 61.120 0.300 . 1 . . . . 49 VAL CA . 10042 1 531 . 1 1 49 49 VAL CB C 13 33.925 0.300 . 1 . . . . 49 VAL CB . 10042 1 532 . 1 1 49 49 VAL CG1 C 13 20.488 0.300 . 2 . . . . 49 VAL CG1 . 10042 1 533 . 1 1 49 49 VAL CG2 C 13 20.993 0.300 . 2 . . . . 49 VAL CG2 . 10042 1 534 . 1 1 49 49 VAL N N 15 126.017 0.300 . 1 . . . . 49 VAL N . 10042 1 535 . 1 1 50 50 ALA H H 1 8.887 0.030 . 1 . . . . 50 ALA H . 10042 1 536 . 1 1 50 50 ALA HA H 1 4.756 0.030 . 1 . . . . 50 ALA HA . 10042 1 537 . 1 1 50 50 ALA HB1 H 1 1.273 0.030 . 1 . . . . 50 ALA HB . 10042 1 538 . 1 1 50 50 ALA HB2 H 1 1.273 0.030 . 1 . . . . 50 ALA HB . 10042 1 539 . 1 1 50 50 ALA HB3 H 1 1.273 0.030 . 1 . . . . 50 ALA HB . 10042 1 540 . 1 1 50 50 ALA C C 13 175.781 0.300 . 1 . . . . 50 ALA C . 10042 1 541 . 1 1 50 50 ALA CA C 13 50.683 0.300 . 1 . . . . 50 ALA CA . 10042 1 542 . 1 1 50 50 ALA CB C 13 20.648 0.300 . 1 . . . . 50 ALA CB . 10042 1 543 . 1 1 50 50 ALA N N 15 130.915 0.300 . 1 . . . . 50 ALA N . 10042 1 544 . 1 1 51 51 LEU H H 1 8.781 0.030 . 1 . . . . 51 LEU H . 10042 1 545 . 1 1 51 51 LEU HA H 1 5.028 0.030 . 1 . . . . 51 LEU HA . 10042 1 546 . 1 1 51 51 LEU HB2 H 1 1.520 0.030 . 2 . . . . 51 LEU HB2 . 10042 1 547 . 1 1 51 51 LEU HB3 H 1 1.476 0.030 . 2 . . . . 51 LEU HB3 . 10042 1 548 . 1 1 51 51 LEU HG H 1 1.480 0.030 . 1 . . . . 51 LEU HG . 10042 1 549 . 1 1 51 51 LEU HD11 H 1 0.824 0.030 . 1 . . . . 51 LEU HD1 . 10042 1 550 . 1 1 51 51 LEU HD12 H 1 0.824 0.030 . 1 . . . . 51 LEU HD1 . 10042 1 551 . 1 1 51 51 LEU HD13 H 1 0.824 0.030 . 1 . . . . 51 LEU HD1 . 10042 1 552 . 1 1 51 51 LEU HD21 H 1 0.768 0.030 . 1 . . . . 51 LEU HD2 . 10042 1 553 . 1 1 51 51 LEU HD22 H 1 0.768 0.030 . 1 . . . . 51 LEU HD2 . 10042 1 554 . 1 1 51 51 LEU HD23 H 1 0.768 0.030 . 1 . . . . 51 LEU HD2 . 10042 1 555 . 1 1 51 51 LEU C C 13 175.834 0.300 . 1 . . . . 51 LEU C . 10042 1 556 . 1 1 51 51 LEU CA C 13 53.848 0.300 . 1 . . . . 51 LEU CA . 10042 1 557 . 1 1 51 51 LEU CB C 13 45.390 0.300 . 1 . . . . 51 LEU CB . 10042 1 558 . 1 1 51 51 LEU CG C 13 27.087 0.300 . 1 . . . . 51 LEU CG . 10042 1 559 . 1 1 51 51 LEU CD1 C 13 24.798 0.300 . 2 . . . . 51 LEU CD1 . 10042 1 560 . 1 1 51 51 LEU CD2 C 13 24.670 0.300 . 2 . . . . 51 LEU CD2 . 10042 1 561 . 1 1 51 51 LEU N N 15 125.678 0.300 . 1 . . . . 51 LEU N . 10042 1 562 . 1 1 52 52 SER H H 1 8.730 0.030 . 1 . . . . 52 SER H . 10042 1 563 . 1 1 52 52 SER HA H 1 4.798 0.030 . 1 . . . . 52 SER HA . 10042 1 564 . 1 1 52 52 SER HB2 H 1 4.270 0.030 . 2 . . . . 52 SER HB2 . 10042 1 565 . 1 1 52 52 SER HB3 H 1 3.870 0.030 . 2 . . . . 52 SER HB3 . 10042 1 566 . 1 1 52 52 SER C C 13 172.595 0.300 . 1 . . . . 52 SER C . 10042 1 567 . 1 1 52 52 SER CA C 13 57.074 0.300 . 1 . . . . 52 SER CA . 10042 1 568 . 1 1 52 52 SER CB C 13 66.504 0.300 . 1 . . . . 52 SER CB . 10042 1 569 . 1 1 52 52 SER N N 15 120.725 0.300 . 1 . . . . 52 SER N . 10042 1 570 . 1 1 53 53 SER H H 1 8.632 0.030 . 1 . . . . 53 SER H . 10042 1 571 . 1 1 53 53 SER HA H 1 4.342 0.030 . 1 . . . . 53 SER HA . 10042 1 572 . 1 1 53 53 SER HB2 H 1 4.210 0.030 . 2 . . . . 53 SER HB2 . 10042 1 573 . 1 1 53 53 SER HB3 H 1 4.170 0.030 . 2 . . . . 53 SER HB3 . 10042 1 574 . 1 1 53 53 SER C C 13 173.883 0.300 . 1 . . . . 53 SER C . 10042 1 575 . 1 1 53 53 SER CA C 13 61.113 0.300 . 1 . . . . 53 SER CA . 10042 1 576 . 1 1 53 53 SER CB C 13 63.899 0.300 . 1 . . . . 53 SER CB . 10042 1 577 . 1 1 53 53 SER N N 15 111.091 0.300 . 1 . . . . 53 SER N . 10042 1 578 . 1 1 54 54 SER H H 1 7.836 0.030 . 1 . . . . 54 SER H . 10042 1 579 . 1 1 54 54 SER HA H 1 4.965 0.030 . 1 . . . . 54 SER HA . 10042 1 580 . 1 1 54 54 SER HB2 H 1 4.010 0.030 . 2 . . . . 54 SER HB2 . 10042 1 581 . 1 1 54 54 SER HB3 H 1 3.643 0.030 . 2 . . . . 54 SER HB3 . 10042 1 582 . 1 1 54 54 SER C C 13 174.635 0.300 . 1 . . . . 54 SER C . 10042 1 583 . 1 1 54 54 SER CA C 13 57.309 0.300 . 1 . . . . 54 SER CA . 10042 1 584 . 1 1 54 54 SER CB C 13 66.032 0.300 . 1 . . . . 54 SER CB . 10042 1 585 . 1 1 54 54 SER N N 15 107.249 0.300 . 1 . . . . 54 SER N . 10042 1 586 . 1 1 55 55 SER H H 1 7.771 0.030 . 1 . . . . 55 SER H . 10042 1 587 . 1 1 55 55 SER HA H 1 5.226 0.030 . 1 . . . . 55 SER HA . 10042 1 588 . 1 1 55 55 SER HB2 H 1 3.900 0.030 . 2 . . . . 55 SER HB2 . 10042 1 589 . 1 1 55 55 SER HB3 H 1 3.734 0.030 . 2 . . . . 55 SER HB3 . 10042 1 590 . 1 1 55 55 SER C C 13 169.652 0.300 . 1 . . . . 55 SER C . 10042 1 591 . 1 1 55 55 SER CA C 13 58.582 0.300 . 1 . . . . 55 SER CA . 10042 1 592 . 1 1 55 55 SER CB C 13 66.963 0.300 . 1 . . . . 55 SER CB . 10042 1 593 . 1 1 55 55 SER N N 15 118.738 0.300 . 1 . . . . 55 SER N . 10042 1 594 . 1 1 56 56 ILE H H 1 8.260 0.030 . 1 . . . . 56 ILE H . 10042 1 595 . 1 1 56 56 ILE HA H 1 5.040 0.030 . 1 . . . . 56 ILE HA . 10042 1 596 . 1 1 56 56 ILE HB H 1 1.479 0.030 . 1 . . . . 56 ILE HB . 10042 1 597 . 1 1 56 56 ILE HG12 H 1 0.801 0.030 . 2 . . . . 56 ILE HG12 . 10042 1 598 . 1 1 56 56 ILE HG13 H 1 1.400 0.030 . 2 . . . . 56 ILE HG13 . 10042 1 599 . 1 1 56 56 ILE HG21 H 1 0.586 0.030 . 1 . . . . 56 ILE HG2 . 10042 1 600 . 1 1 56 56 ILE HG22 H 1 0.586 0.030 . 1 . . . . 56 ILE HG2 . 10042 1 601 . 1 1 56 56 ILE HG23 H 1 0.586 0.030 . 1 . . . . 56 ILE HG2 . 10042 1 602 . 1 1 56 56 ILE HD11 H 1 0.600 0.030 . 1 . . . . 56 ILE HD1 . 10042 1 603 . 1 1 56 56 ILE HD12 H 1 0.600 0.030 . 1 . . . . 56 ILE HD1 . 10042 1 604 . 1 1 56 56 ILE HD13 H 1 0.600 0.030 . 1 . . . . 56 ILE HD1 . 10042 1 605 . 1 1 56 56 ILE C C 13 172.026 0.300 . 1 . . . . 56 ILE C . 10042 1 606 . 1 1 56 56 ILE CA C 13 59.118 0.300 . 1 . . . . 56 ILE CA . 10042 1 607 . 1 1 56 56 ILE CB C 13 42.595 0.300 . 1 . . . . 56 ILE CB . 10042 1 608 . 1 1 56 56 ILE CG1 C 13 29.517 0.300 . 1 . . . . 56 ILE CG1 . 10042 1 609 . 1 1 56 56 ILE CG2 C 13 16.054 0.300 . 1 . . . . 56 ILE CG2 . 10042 1 610 . 1 1 56 56 ILE CD1 C 13 14.244 0.300 . 1 . . . . 56 ILE CD1 . 10042 1 611 . 1 1 56 56 ILE N N 15 116.145 0.300 . 1 . . . . 56 ILE N . 10042 1 612 . 1 1 57 57 ARG H H 1 8.067 0.030 . 1 . . . . 57 ARG H . 10042 1 613 . 1 1 57 57 ARG HA H 1 4.879 0.030 . 1 . . . . 57 ARG HA . 10042 1 614 . 1 1 57 57 ARG HB2 H 1 1.769 0.030 . 2 . . . . 57 ARG HB2 . 10042 1 615 . 1 1 57 57 ARG HB3 H 1 1.660 0.030 . 2 . . . . 57 ARG HB3 . 10042 1 616 . 1 1 57 57 ARG HG2 H 1 1.208 0.030 . 2 . . . . 57 ARG HG2 . 10042 1 617 . 1 1 57 57 ARG HG3 H 1 1.379 0.030 . 2 . . . . 57 ARG HG3 . 10042 1 618 . 1 1 57 57 ARG HD2 H 1 3.050 0.030 . 2 . . . . 57 ARG HD2 . 10042 1 619 . 1 1 57 57 ARG HD3 H 1 2.980 0.030 . 2 . . . . 57 ARG HD3 . 10042 1 620 . 1 1 57 57 ARG HE H 1 7.126 0.030 . 1 . . . . 57 ARG HE . 10042 1 621 . 1 1 57 57 ARG C C 13 174.503 0.300 . 1 . . . . 57 ARG C . 10042 1 622 . 1 1 57 57 ARG CA C 13 56.250 0.300 . 1 . . . . 57 ARG CA . 10042 1 623 . 1 1 57 57 ARG CB C 13 33.666 0.300 . 1 . . . . 57 ARG CB . 10042 1 624 . 1 1 57 57 ARG CG C 13 28.725 0.300 . 1 . . . . 57 ARG CG . 10042 1 625 . 1 1 57 57 ARG CD C 13 43.784 0.300 . 1 . . . . 57 ARG CD . 10042 1 626 . 1 1 57 57 ARG N N 15 126.010 0.300 . 1 . . . . 57 ARG N . 10042 1 627 . 1 1 57 57 ARG NE N 15 84.688 0.300 . 1 . . . . 57 ARG NE . 10042 1 628 . 1 1 58 58 VAL H H 1 9.555 0.030 . 1 . . . . 58 VAL H . 10042 1 629 . 1 1 58 58 VAL HA H 1 4.770 0.030 . 1 . . . . 58 VAL HA . 10042 1 630 . 1 1 58 58 VAL HB H 1 1.930 0.030 . 1 . . . . 58 VAL HB . 10042 1 631 . 1 1 58 58 VAL HG11 H 1 0.710 0.030 . 1 . . . . 58 VAL HG1 . 10042 1 632 . 1 1 58 58 VAL HG12 H 1 0.710 0.030 . 1 . . . . 58 VAL HG1 . 10042 1 633 . 1 1 58 58 VAL HG13 H 1 0.710 0.030 . 1 . . . . 58 VAL HG1 . 10042 1 634 . 1 1 58 58 VAL HG21 H 1 0.780 0.030 . 1 . . . . 58 VAL HG2 . 10042 1 635 . 1 1 58 58 VAL HG22 H 1 0.780 0.030 . 1 . . . . 58 VAL HG2 . 10042 1 636 . 1 1 58 58 VAL HG23 H 1 0.780 0.030 . 1 . . . . 58 VAL HG2 . 10042 1 637 . 1 1 58 58 VAL C C 13 173.804 0.300 . 1 . . . . 58 VAL C . 10042 1 638 . 1 1 58 58 VAL CA C 13 61.343 0.300 . 1 . . . . 58 VAL CA . 10042 1 639 . 1 1 58 58 VAL CB C 13 33.955 0.300 . 1 . . . . 58 VAL CB . 10042 1 640 . 1 1 58 58 VAL CG1 C 13 20.826 0.300 . 2 . . . . 58 VAL CG1 . 10042 1 641 . 1 1 58 58 VAL CG2 C 13 20.360 0.300 . 2 . . . . 58 VAL CG2 . 10042 1 642 . 1 1 58 58 VAL N N 15 128.576 0.300 . 1 . . . . 58 VAL N . 10042 1 643 . 1 1 59 59 ALA H H 1 9.342 0.030 . 1 . . . . 59 ALA H . 10042 1 644 . 1 1 59 59 ALA HA H 1 5.123 0.030 . 1 . . . . 59 ALA HA . 10042 1 645 . 1 1 59 59 ALA HB1 H 1 1.139 0.030 . 1 . . . . 59 ALA HB . 10042 1 646 . 1 1 59 59 ALA HB2 H 1 1.139 0.030 . 1 . . . . 59 ALA HB . 10042 1 647 . 1 1 59 59 ALA HB3 H 1 1.139 0.030 . 1 . . . . 59 ALA HB . 10042 1 648 . 1 1 59 59 ALA C C 13 174.242 0.300 . 1 . . . . 59 ALA C . 10042 1 649 . 1 1 59 59 ALA CA C 13 50.433 0.300 . 1 . . . . 59 ALA CA . 10042 1 650 . 1 1 59 59 ALA CB C 13 23.587 0.300 . 1 . . . . 59 ALA CB . 10042 1 651 . 1 1 59 59 ALA N N 15 130.531 0.300 . 1 . . . . 59 ALA N . 10042 1 652 . 1 1 60 60 MET H H 1 8.923 0.030 . 1 . . . . 60 MET H . 10042 1 653 . 1 1 60 60 MET HA H 1 5.322 0.030 . 1 . . . . 60 MET HA . 10042 1 654 . 1 1 60 60 MET HB2 H 1 2.050 0.030 . 2 . . . . 60 MET HB2 . 10042 1 655 . 1 1 60 60 MET HB3 H 1 1.924 0.030 . 2 . . . . 60 MET HB3 . 10042 1 656 . 1 1 60 60 MET HG2 H 1 2.521 0.030 . 2 . . . . 60 MET HG2 . 10042 1 657 . 1 1 60 60 MET HG3 H 1 2.400 0.030 . 2 . . . . 60 MET HG3 . 10042 1 658 . 1 1 60 60 MET HE1 H 1 2.030 0.030 . 1 . . . . 60 MET HE . 10042 1 659 . 1 1 60 60 MET HE2 H 1 2.030 0.030 . 1 . . . . 60 MET HE . 10042 1 660 . 1 1 60 60 MET HE3 H 1 2.030 0.030 . 1 . . . . 60 MET HE . 10042 1 661 . 1 1 60 60 MET C C 13 174.232 0.300 . 1 . . . . 60 MET C . 10042 1 662 . 1 1 60 60 MET CA C 13 53.666 0.300 . 1 . . . . 60 MET CA . 10042 1 663 . 1 1 60 60 MET CB C 13 36.497 0.300 . 1 . . . . 60 MET CB . 10042 1 664 . 1 1 60 60 MET CG C 13 31.621 0.300 . 1 . . . . 60 MET CG . 10042 1 665 . 1 1 60 60 MET CE C 13 17.986 0.300 . 1 . . . . 60 MET CE . 10042 1 666 . 1 1 60 60 MET N N 15 115.970 0.300 . 1 . . . . 60 MET N . 10042 1 667 . 1 1 61 61 LEU H H 1 8.637 0.030 . 1 . . . . 61 LEU H . 10042 1 668 . 1 1 61 61 LEU HA H 1 4.505 0.030 . 1 . . . . 61 LEU HA . 10042 1 669 . 1 1 61 61 LEU HB2 H 1 1.590 0.030 . 1 . . . . 61 LEU HB2 . 10042 1 670 . 1 1 61 61 LEU HB3 H 1 1.590 0.030 . 1 . . . . 61 LEU HB3 . 10042 1 671 . 1 1 61 61 LEU HG H 1 1.486 0.030 . 1 . . . . 61 LEU HG . 10042 1 672 . 1 1 61 61 LEU HD11 H 1 0.828 0.030 . 1 . . . . 61 LEU HD1 . 10042 1 673 . 1 1 61 61 LEU HD12 H 1 0.828 0.030 . 1 . . . . 61 LEU HD1 . 10042 1 674 . 1 1 61 61 LEU HD13 H 1 0.828 0.030 . 1 . . . . 61 LEU HD1 . 10042 1 675 . 1 1 61 61 LEU HD21 H 1 0.814 0.030 . 1 . . . . 61 LEU HD2 . 10042 1 676 . 1 1 61 61 LEU HD22 H 1 0.814 0.030 . 1 . . . . 61 LEU HD2 . 10042 1 677 . 1 1 61 61 LEU HD23 H 1 0.814 0.030 . 1 . . . . 61 LEU HD2 . 10042 1 678 . 1 1 61 61 LEU C C 13 176.491 0.300 . 1 . . . . 61 LEU C . 10042 1 679 . 1 1 61 61 LEU CA C 13 55.325 0.300 . 1 . . . . 61 LEU CA . 10042 1 680 . 1 1 61 61 LEU CB C 13 41.991 0.300 . 1 . . . . 61 LEU CB . 10042 1 681 . 1 1 61 61 LEU CG C 13 28.145 0.300 . 1 . . . . 61 LEU CG . 10042 1 682 . 1 1 61 61 LEU CD1 C 13 24.870 0.300 . 2 . . . . 61 LEU CD1 . 10042 1 683 . 1 1 61 61 LEU CD2 C 13 24.091 0.300 . 2 . . . . 61 LEU CD2 . 10042 1 684 . 1 1 61 61 LEU N N 15 125.106 0.300 . 1 . . . . 61 LEU N . 10042 1 685 . 1 1 62 62 GLU H H 1 8.094 0.030 . 1 . . . . 62 GLU H . 10042 1 686 . 1 1 62 62 GLU HA H 1 4.741 0.030 . 1 . . . . 62 GLU HA . 10042 1 687 . 1 1 62 62 GLU HB2 H 1 2.220 0.030 . 2 . . . . 62 GLU HB2 . 10042 1 688 . 1 1 62 62 GLU HB3 H 1 1.989 0.030 . 2 . . . . 62 GLU HB3 . 10042 1 689 . 1 1 62 62 GLU HG2 H 1 2.200 0.030 . 2 . . . . 62 GLU HG2 . 10042 1 690 . 1 1 62 62 GLU HG3 H 1 2.159 0.030 . 2 . . . . 62 GLU HG3 . 10042 1 691 . 1 1 62 62 GLU C C 13 176.491 0.300 . 1 . . . . 62 GLU C . 10042 1 692 . 1 1 62 62 GLU CA C 13 54.702 0.300 . 1 . . . . 62 GLU CA . 10042 1 693 . 1 1 62 62 GLU CB C 13 32.577 0.300 . 1 . . . . 62 GLU CB . 10042 1 694 . 1 1 62 62 GLU CG C 13 36.689 0.300 . 1 . . . . 62 GLU CG . 10042 1 695 . 1 1 62 62 GLU N N 15 122.482 0.300 . 1 . . . . 62 GLU N . 10042 1 696 . 1 1 63 63 GLU H H 1 8.998 0.030 . 1 . . . . 63 GLU H . 10042 1 697 . 1 1 63 63 GLU HA H 1 3.977 0.030 . 1 . . . . 63 GLU HA . 10042 1 698 . 1 1 63 63 GLU HB2 H 1 2.015 0.030 . 2 . . . . 63 GLU HB2 . 10042 1 699 . 1 1 63 63 GLU HB3 H 1 1.987 0.030 . 2 . . . . 63 GLU HB3 . 10042 1 700 . 1 1 63 63 GLU HG2 H 1 2.290 0.030 . 1 . . . . 63 GLU HG2 . 10042 1 701 . 1 1 63 63 GLU HG3 H 1 2.290 0.030 . 1 . . . . 63 GLU HG3 . 10042 1 702 . 1 1 63 63 GLU C C 13 177.321 0.300 . 1 . . . . 63 GLU C . 10042 1 703 . 1 1 63 63 GLU CA C 13 59.666 0.300 . 1 . . . . 63 GLU CA . 10042 1 704 . 1 1 63 63 GLU CB C 13 29.190 0.300 . 1 . . . . 63 GLU CB . 10042 1 705 . 1 1 63 63 GLU CG C 13 36.327 0.300 . 1 . . . . 63 GLU CG . 10042 1 706 . 1 1 63 63 GLU N N 15 121.993 0.300 . 1 . . . . 63 GLU N . 10042 1 707 . 1 1 64 64 ASN H H 1 8.277 0.030 . 1 . . . . 64 ASN H . 10042 1 708 . 1 1 64 64 ASN HA H 1 4.841 0.030 . 1 . . . . 64 ASN HA . 10042 1 709 . 1 1 64 64 ASN HB2 H 1 2.880 0.030 . 2 . . . . 64 ASN HB2 . 10042 1 710 . 1 1 64 64 ASN HB3 H 1 2.808 0.030 . 2 . . . . 64 ASN HB3 . 10042 1 711 . 1 1 64 64 ASN HD21 H 1 6.897 0.030 . 2 . . . . 64 ASN HD21 . 10042 1 712 . 1 1 64 64 ASN HD22 H 1 7.610 0.030 . 2 . . . . 64 ASN HD22 . 10042 1 713 . 1 1 64 64 ASN C C 13 174.617 0.300 . 1 . . . . 64 ASN C . 10042 1 714 . 1 1 64 64 ASN CA C 13 52.929 0.300 . 1 . . . . 64 ASN CA . 10042 1 715 . 1 1 64 64 ASN CB C 13 38.832 0.300 . 1 . . . . 64 ASN CB . 10042 1 716 . 1 1 64 64 ASN N N 15 113.788 0.300 . 1 . . . . 64 ASN N . 10042 1 717 . 1 1 64 64 ASN ND2 N 15 113.000 0.300 . 1 . . . . 64 ASN ND2 . 10042 1 718 . 1 1 65 65 GLY H H 1 7.503 0.030 . 1 . . . . 65 GLY H . 10042 1 719 . 1 1 65 65 GLY HA2 H 1 4.309 0.030 . 2 . . . . 65 GLY HA2 . 10042 1 720 . 1 1 65 65 GLY HA3 H 1 3.890 0.030 . 2 . . . . 65 GLY HA3 . 10042 1 721 . 1 1 65 65 GLY C C 13 172.135 0.300 . 1 . . . . 65 GLY C . 10042 1 722 . 1 1 65 65 GLY CA C 13 44.996 0.300 . 1 . . . . 65 GLY CA . 10042 1 723 . 1 1 65 65 GLY N N 15 107.672 0.300 . 1 . . . . 65 GLY N . 10042 1 724 . 1 1 66 66 GLU H H 1 8.436 0.030 . 1 . . . . 66 GLU H . 10042 1 725 . 1 1 66 66 GLU HA H 1 4.927 0.030 . 1 . . . . 66 GLU HA . 10042 1 726 . 1 1 66 66 GLU HB2 H 1 1.782 0.030 . 1 . . . . 66 GLU HB2 . 10042 1 727 . 1 1 66 66 GLU HB3 H 1 1.782 0.030 . 1 . . . . 66 GLU HB3 . 10042 1 728 . 1 1 66 66 GLU HG2 H 1 2.084 0.030 . 2 . . . . 66 GLU HG2 . 10042 1 729 . 1 1 66 66 GLU HG3 H 1 1.975 0.030 . 2 . . . . 66 GLU HG3 . 10042 1 730 . 1 1 66 66 GLU C C 13 175.527 0.300 . 1 . . . . 66 GLU C . 10042 1 731 . 1 1 66 66 GLU CA C 13 55.489 0.300 . 1 . . . . 66 GLU CA . 10042 1 732 . 1 1 66 66 GLU CB C 13 32.450 0.300 . 1 . . . . 66 GLU CB . 10042 1 733 . 1 1 66 66 GLU CG C 13 36.399 0.300 . 1 . . . . 66 GLU CG . 10042 1 734 . 1 1 66 66 GLU N N 15 119.904 0.300 . 1 . . . . 66 GLU N . 10042 1 735 . 1 1 67 67 ARG H H 1 9.162 0.030 . 1 . . . . 67 ARG H . 10042 1 736 . 1 1 67 67 ARG HA H 1 4.656 0.030 . 1 . . . . 67 ARG HA . 10042 1 737 . 1 1 67 67 ARG HB2 H 1 1.732 0.030 . 1 . . . . 67 ARG HB2 . 10042 1 738 . 1 1 67 67 ARG HB3 H 1 1.732 0.030 . 1 . . . . 67 ARG HB3 . 10042 1 739 . 1 1 67 67 ARG HG2 H 1 1.590 0.030 . 2 . . . . 67 ARG HG2 . 10042 1 740 . 1 1 67 67 ARG HG3 H 1 1.356 0.030 . 2 . . . . 67 ARG HG3 . 10042 1 741 . 1 1 67 67 ARG HD2 H 1 3.179 0.030 . 1 . . . . 67 ARG HD2 . 10042 1 742 . 1 1 67 67 ARG HD3 H 1 3.179 0.030 . 1 . . . . 67 ARG HD3 . 10042 1 743 . 1 1 67 67 ARG HE H 1 7.519 0.030 . 1 . . . . 67 ARG HE . 10042 1 744 . 1 1 67 67 ARG C C 13 175.344 0.300 . 1 . . . . 67 ARG C . 10042 1 745 . 1 1 67 67 ARG CA C 13 54.584 0.300 . 1 . . . . 67 ARG CA . 10042 1 746 . 1 1 67 67 ARG CB C 13 32.685 0.300 . 1 . . . . 67 ARG CB . 10042 1 747 . 1 1 67 67 ARG CG C 13 27.059 0.300 . 1 . . . . 67 ARG CG . 10042 1 748 . 1 1 67 67 ARG CD C 13 43.712 0.300 . 1 . . . . 67 ARG CD . 10042 1 749 . 1 1 67 67 ARG N N 15 124.395 0.300 . 1 . . . . 67 ARG N . 10042 1 750 . 1 1 67 67 ARG NE N 15 84.448 0.300 . 1 . . . . 67 ARG NE . 10042 1 751 . 1 1 68 68 VAL H H 1 9.073 0.030 . 1 . . . . 68 VAL H . 10042 1 752 . 1 1 68 68 VAL HA H 1 3.660 0.030 . 1 . . . . 68 VAL HA . 10042 1 753 . 1 1 68 68 VAL HB H 1 1.980 0.030 . 1 . . . . 68 VAL HB . 10042 1 754 . 1 1 68 68 VAL HG11 H 1 0.809 0.030 . 1 . . . . 68 VAL HG1 . 10042 1 755 . 1 1 68 68 VAL HG12 H 1 0.809 0.030 . 1 . . . . 68 VAL HG1 . 10042 1 756 . 1 1 68 68 VAL HG13 H 1 0.809 0.030 . 1 . . . . 68 VAL HG1 . 10042 1 757 . 1 1 68 68 VAL HG21 H 1 0.881 0.030 . 1 . . . . 68 VAL HG2 . 10042 1 758 . 1 1 68 68 VAL HG22 H 1 0.881 0.030 . 1 . . . . 68 VAL HG2 . 10042 1 759 . 1 1 68 68 VAL HG23 H 1 0.881 0.030 . 1 . . . . 68 VAL HG2 . 10042 1 760 . 1 1 68 68 VAL C C 13 175.692 0.300 . 1 . . . . 68 VAL C . 10042 1 761 . 1 1 68 68 VAL CA C 13 64.868 0.300 . 1 . . . . 68 VAL CA . 10042 1 762 . 1 1 68 68 VAL CB C 13 31.856 0.300 . 1 . . . . 68 VAL CB . 10042 1 763 . 1 1 68 68 VAL CG1 C 13 21.919 0.300 . 2 . . . . 68 VAL CG1 . 10042 1 764 . 1 1 68 68 VAL CG2 C 13 22.770 0.300 . 2 . . . . 68 VAL CG2 . 10042 1 765 . 1 1 68 68 VAL N N 15 128.297 0.300 . 1 . . . . 68 VAL N . 10042 1 766 . 1 1 69 69 LEU H H 1 9.105 0.030 . 1 . . . . 69 LEU H . 10042 1 767 . 1 1 69 69 LEU HA H 1 4.490 0.030 . 1 . . . . 69 LEU HA . 10042 1 768 . 1 1 69 69 LEU HB2 H 1 1.578 0.030 . 2 . . . . 69 LEU HB2 . 10042 1 769 . 1 1 69 69 LEU HB3 H 1 1.350 0.030 . 2 . . . . 69 LEU HB3 . 10042 1 770 . 1 1 69 69 LEU HG H 1 1.676 0.030 . 1 . . . . 69 LEU HG . 10042 1 771 . 1 1 69 69 LEU HD11 H 1 0.829 0.030 . 1 . . . . 69 LEU HD1 . 10042 1 772 . 1 1 69 69 LEU HD12 H 1 0.829 0.030 . 1 . . . . 69 LEU HD1 . 10042 1 773 . 1 1 69 69 LEU HD13 H 1 0.829 0.030 . 1 . . . . 69 LEU HD1 . 10042 1 774 . 1 1 69 69 LEU HD21 H 1 0.871 0.030 . 1 . . . . 69 LEU HD2 . 10042 1 775 . 1 1 69 69 LEU HD22 H 1 0.871 0.030 . 1 . . . . 69 LEU HD2 . 10042 1 776 . 1 1 69 69 LEU HD23 H 1 0.871 0.030 . 1 . . . . 69 LEU HD2 . 10042 1 777 . 1 1 69 69 LEU C C 13 176.934 0.300 . 1 . . . . 69 LEU C . 10042 1 778 . 1 1 69 69 LEU CA C 13 55.556 0.300 . 1 . . . . 69 LEU CA . 10042 1 779 . 1 1 69 69 LEU CB C 13 43.322 0.300 . 1 . . . . 69 LEU CB . 10042 1 780 . 1 1 69 69 LEU CG C 13 27.132 0.300 . 1 . . . . 69 LEU CG . 10042 1 781 . 1 1 69 69 LEU CD1 C 13 25.973 0.300 . 2 . . . . 69 LEU CD1 . 10042 1 782 . 1 1 69 69 LEU CD2 C 13 21.991 0.300 . 2 . . . . 69 LEU CD2 . 10042 1 783 . 1 1 69 69 LEU N N 15 128.604 0.300 . 1 . . . . 69 LEU N . 10042 1 784 . 1 1 70 70 MET H H 1 7.631 0.030 . 1 . . . . 70 MET H . 10042 1 785 . 1 1 70 70 MET HA H 1 4.485 0.030 . 1 . . . . 70 MET HA . 10042 1 786 . 1 1 70 70 MET HB2 H 1 1.971 0.030 . 2 . . . . 70 MET HB2 . 10042 1 787 . 1 1 70 70 MET HB3 H 1 1.561 0.030 . 2 . . . . 70 MET HB3 . 10042 1 788 . 1 1 70 70 MET HG2 H 1 2.152 0.030 . 2 . . . . 70 MET HG2 . 10042 1 789 . 1 1 70 70 MET HG3 H 1 1.941 0.030 . 2 . . . . 70 MET HG3 . 10042 1 790 . 1 1 70 70 MET HE1 H 1 0.881 0.030 . 1 . . . . 70 MET HE . 10042 1 791 . 1 1 70 70 MET HE2 H 1 0.881 0.030 . 1 . . . . 70 MET HE . 10042 1 792 . 1 1 70 70 MET HE3 H 1 0.881 0.030 . 1 . . . . 70 MET HE . 10042 1 793 . 1 1 70 70 MET C C 13 173.007 0.300 . 1 . . . . 70 MET C . 10042 1 794 . 1 1 70 70 MET CA C 13 55.710 0.300 . 1 . . . . 70 MET CA . 10042 1 795 . 1 1 70 70 MET CB C 13 35.489 0.300 . 1 . . . . 70 MET CB . 10042 1 796 . 1 1 70 70 MET CG C 13 32.200 0.300 . 1 . . . . 70 MET CG . 10042 1 797 . 1 1 70 70 MET CE C 13 17.068 0.300 . 1 . . . . 70 MET CE . 10042 1 798 . 1 1 70 70 MET N N 15 116.777 0.300 . 1 . . . . 70 MET N . 10042 1 799 . 1 1 71 71 GLU H H 1 8.817 0.030 . 1 . . . . 71 GLU H . 10042 1 800 . 1 1 71 71 GLU HA H 1 5.112 0.030 . 1 . . . . 71 GLU HA . 10042 1 801 . 1 1 71 71 GLU HB2 H 1 2.103 0.030 . 2 . . . . 71 GLU HB2 . 10042 1 802 . 1 1 71 71 GLU HB3 H 1 1.900 0.030 . 2 . . . . 71 GLU HB3 . 10042 1 803 . 1 1 71 71 GLU HG2 H 1 2.188 0.030 . 2 . . . . 71 GLU HG2 . 10042 1 804 . 1 1 71 71 GLU HG3 H 1 2.082 0.030 . 2 . . . . 71 GLU HG3 . 10042 1 805 . 1 1 71 71 GLU C C 13 173.637 0.300 . 1 . . . . 71 GLU C . 10042 1 806 . 1 1 71 71 GLU CA C 13 55.533 0.300 . 1 . . . . 71 GLU CA . 10042 1 807 . 1 1 71 71 GLU CB C 13 32.520 0.300 . 1 . . . . 71 GLU CB . 10042 1 808 . 1 1 71 71 GLU CG C 13 35.168 0.300 . 1 . . . . 71 GLU CG . 10042 1 809 . 1 1 71 71 GLU N N 15 125.521 0.300 . 1 . . . . 71 GLU N . 10042 1 810 . 1 1 72 72 GLY H H 1 8.291 0.030 . 1 . . . . 72 GLY H . 10042 1 811 . 1 1 72 72 GLY HA2 H 1 4.320 0.030 . 2 . . . . 72 GLY HA2 . 10042 1 812 . 1 1 72 72 GLY HA3 H 1 4.010 0.030 . 2 . . . . 72 GLY HA3 . 10042 1 813 . 1 1 72 72 GLY C C 13 170.692 0.300 . 1 . . . . 72 GLY C . 10042 1 814 . 1 1 72 72 GLY CA C 13 45.603 0.300 . 1 . . . . 72 GLY CA . 10042 1 815 . 1 1 72 72 GLY N N 15 108.707 0.300 . 1 . . . . 72 GLY N . 10042 1 816 . 1 1 73 73 LYS H H 1 8.382 0.030 . 1 . . . . 73 LYS H . 10042 1 817 . 1 1 73 73 LYS HA H 1 4.575 0.030 . 1 . . . . 73 LYS HA . 10042 1 818 . 1 1 73 73 LYS HB2 H 1 1.730 0.030 . 2 . . . . 73 LYS HB2 . 10042 1 819 . 1 1 73 73 LYS HB3 H 1 1.586 0.030 . 2 . . . . 73 LYS HB3 . 10042 1 820 . 1 1 73 73 LYS HG2 H 1 1.400 0.030 . 2 . . . . 73 LYS HG2 . 10042 1 821 . 1 1 73 73 LYS HG3 H 1 1.522 0.030 . 2 . . . . 73 LYS HG3 . 10042 1 822 . 1 1 73 73 LYS C C 13 176.017 0.300 . 1 . . . . 73 LYS C . 10042 1 823 . 1 1 73 73 LYS CA C 13 54.748 0.300 . 1 . . . . 73 LYS CA . 10042 1 824 . 1 1 73 73 LYS CB C 13 33.425 0.300 . 1 . . . . 73 LYS CB . 10042 1 825 . 1 1 73 73 LYS CG C 13 24.770 0.300 . 1 . . . . 73 LYS CG . 10042 1 826 . 1 1 73 73 LYS CD C 13 29.014 0.300 . 1 . . . . 73 LYS CD . 10042 1 827 . 1 1 73 73 LYS CE C 13 42.192 0.300 . 1 . . . . 73 LYS CE . 10042 1 828 . 1 1 73 73 LYS N N 15 120.130 0.300 . 1 . . . . 73 LYS N . 10042 1 829 . 1 1 74 74 LEU H H 1 7.880 0.030 . 1 . . . . 74 LEU H . 10042 1 830 . 1 1 74 74 LEU HA H 1 4.940 0.030 . 1 . . . . 74 LEU HA . 10042 1 831 . 1 1 74 74 LEU HB2 H 1 1.873 0.030 . 2 . . . . 74 LEU HB2 . 10042 1 832 . 1 1 74 74 LEU HB3 H 1 1.580 0.030 . 2 . . . . 74 LEU HB3 . 10042 1 833 . 1 1 74 74 LEU HG H 1 1.247 0.030 . 1 . . . . 74 LEU HG . 10042 1 834 . 1 1 74 74 LEU HD11 H 1 0.938 0.030 . 1 . . . . 74 LEU HD1 . 10042 1 835 . 1 1 74 74 LEU HD12 H 1 0.938 0.030 . 1 . . . . 74 LEU HD1 . 10042 1 836 . 1 1 74 74 LEU HD13 H 1 0.938 0.030 . 1 . . . . 74 LEU HD1 . 10042 1 837 . 1 1 74 74 LEU HD21 H 1 0.760 0.030 . 1 . . . . 74 LEU HD2 . 10042 1 838 . 1 1 74 74 LEU HD22 H 1 0.760 0.030 . 1 . . . . 74 LEU HD2 . 10042 1 839 . 1 1 74 74 LEU HD23 H 1 0.760 0.030 . 1 . . . . 74 LEU HD2 . 10042 1 840 . 1 1 74 74 LEU C C 13 179.159 0.300 . 1 . . . . 74 LEU C . 10042 1 841 . 1 1 74 74 LEU CA C 13 53.903 0.300 . 1 . . . . 74 LEU CA . 10042 1 842 . 1 1 74 74 LEU CB C 13 43.940 0.300 . 1 . . . . 74 LEU CB . 10042 1 843 . 1 1 74 74 LEU CG C 13 27.646 0.300 . 1 . . . . 74 LEU CG . 10042 1 844 . 1 1 74 74 LEU CD1 C 13 27.638 0.300 . 2 . . . . 74 LEU CD1 . 10042 1 845 . 1 1 74 74 LEU CD2 C 13 23.729 0.300 . 2 . . . . 74 LEU CD2 . 10042 1 846 . 1 1 74 74 LEU N N 15 124.401 0.300 . 1 . . . . 74 LEU N . 10042 1 847 . 1 1 75 75 THR H H 1 7.518 0.030 . 1 . . . . 75 THR H . 10042 1 848 . 1 1 75 75 THR HA H 1 3.392 0.030 . 1 . . . . 75 THR HA . 10042 1 849 . 1 1 75 75 THR HB H 1 3.405 0.030 . 1 . . . . 75 THR HB . 10042 1 850 . 1 1 75 75 THR HG21 H 1 0.691 0.030 . 1 . . . . 75 THR HG2 . 10042 1 851 . 1 1 75 75 THR HG22 H 1 0.691 0.030 . 1 . . . . 75 THR HG2 . 10042 1 852 . 1 1 75 75 THR HG23 H 1 0.691 0.030 . 1 . . . . 75 THR HG2 . 10042 1 853 . 1 1 75 75 THR C C 13 173.831 0.300 . 1 . . . . 75 THR C . 10042 1 854 . 1 1 75 75 THR CA C 13 63.880 0.300 . 1 . . . . 75 THR CA . 10042 1 855 . 1 1 75 75 THR CB C 13 68.514 0.300 . 1 . . . . 75 THR CB . 10042 1 856 . 1 1 75 75 THR CG2 C 13 22.208 0.300 . 1 . . . . 75 THR CG2 . 10042 1 857 . 1 1 75 75 THR N N 15 110.774 0.300 . 1 . . . . 75 THR N . 10042 1 858 . 1 1 76 76 HIS H H 1 6.032 0.030 . 1 . . . . 76 HIS H . 10042 1 859 . 1 1 76 76 HIS HA H 1 4.242 0.030 . 1 . . . . 76 HIS HA . 10042 1 860 . 1 1 76 76 HIS HB2 H 1 2.957 0.030 . 2 . . . . 76 HIS HB2 . 10042 1 861 . 1 1 76 76 HIS HB3 H 1 1.942 0.030 . 2 . . . . 76 HIS HB3 . 10042 1 862 . 1 1 76 76 HIS HD2 H 1 7.013 0.030 . 1 . . . . 76 HIS HD2 . 10042 1 863 . 1 1 76 76 HIS HE1 H 1 7.793 0.030 . 1 . . . . 76 HIS HE1 . 10042 1 864 . 1 1 76 76 HIS C C 13 171.654 0.300 . 1 . . . . 76 HIS C . 10042 1 865 . 1 1 76 76 HIS CA C 13 53.225 0.300 . 1 . . . . 76 HIS CA . 10042 1 866 . 1 1 76 76 HIS CB C 13 31.791 0.300 . 1 . . . . 76 HIS CB . 10042 1 867 . 1 1 76 76 HIS CE1 C 13 136.500 0.300 . 1 . . . . 76 HIS CE1 . 10042 1 868 . 1 1 76 76 HIS N N 15 115.246 0.300 . 1 . . . . 76 HIS N . 10042 1 869 . 1 1 77 77 LYS H H 1 7.890 0.030 . 1 . . . . 77 LYS H . 10042 1 870 . 1 1 77 77 LYS HA H 1 4.998 0.030 . 1 . . . . 77 LYS HA . 10042 1 871 . 1 1 77 77 LYS HB2 H 1 1.820 0.030 . 1 . . . . 77 LYS HB2 . 10042 1 872 . 1 1 77 77 LYS HB3 H 1 1.820 0.030 . 1 . . . . 77 LYS HB3 . 10042 1 873 . 1 1 77 77 LYS HG2 H 1 1.560 0.030 . 2 . . . . 77 LYS HG2 . 10042 1 874 . 1 1 77 77 LYS HG3 H 1 1.428 0.030 . 2 . . . . 77 LYS HG3 . 10042 1 875 . 1 1 77 77 LYS HD2 H 1 1.656 0.030 . 1 . . . . 77 LYS HD2 . 10042 1 876 . 1 1 77 77 LYS HD3 H 1 1.656 0.030 . 1 . . . . 77 LYS HD3 . 10042 1 877 . 1 1 77 77 LYS HE2 H 1 2.982 0.030 . 1 . . . . 77 LYS HE2 . 10042 1 878 . 1 1 77 77 LYS HE3 H 1 2.982 0.030 . 1 . . . . 77 LYS HE3 . 10042 1 879 . 1 1 77 77 LYS C C 13 177.519 0.300 . 1 . . . . 77 LYS C . 10042 1 880 . 1 1 77 77 LYS CA C 13 56.258 0.300 . 1 . . . . 77 LYS CA . 10042 1 881 . 1 1 77 77 LYS CB C 13 34.078 0.300 . 1 . . . . 77 LYS CB . 10042 1 882 . 1 1 77 77 LYS CG C 13 25.828 0.300 . 1 . . . . 77 LYS CG . 10042 1 883 . 1 1 77 77 LYS CD C 13 29.276 0.300 . 1 . . . . 77 LYS CD . 10042 1 884 . 1 1 77 77 LYS CE C 13 42.209 0.300 . 1 . . . . 77 LYS CE . 10042 1 885 . 1 1 77 77 LYS N N 15 115.837 0.300 . 1 . . . . 77 LYS N . 10042 1 886 . 1 1 78 78 ILE H H 1 8.544 0.030 . 1 . . . . 78 ILE H . 10042 1 887 . 1 1 78 78 ILE HA H 1 5.175 0.030 . 1 . . . . 78 ILE HA . 10042 1 888 . 1 1 78 78 ILE HB H 1 1.918 0.030 . 1 . . . . 78 ILE HB . 10042 1 889 . 1 1 78 78 ILE HG12 H 1 1.310 0.030 . 2 . . . . 78 ILE HG12 . 10042 1 890 . 1 1 78 78 ILE HG13 H 1 1.140 0.030 . 2 . . . . 78 ILE HG13 . 10042 1 891 . 1 1 78 78 ILE HG21 H 1 1.001 0.030 . 1 . . . . 78 ILE HG2 . 10042 1 892 . 1 1 78 78 ILE HG22 H 1 1.001 0.030 . 1 . . . . 78 ILE HG2 . 10042 1 893 . 1 1 78 78 ILE HG23 H 1 1.001 0.030 . 1 . . . . 78 ILE HG2 . 10042 1 894 . 1 1 78 78 ILE HD11 H 1 0.805 0.030 . 1 . . . . 78 ILE HD1 . 10042 1 895 . 1 1 78 78 ILE HD12 H 1 0.805 0.030 . 1 . . . . 78 ILE HD1 . 10042 1 896 . 1 1 78 78 ILE HD13 H 1 0.805 0.030 . 1 . . . . 78 ILE HD1 . 10042 1 897 . 1 1 78 78 ILE C C 13 175.885 0.300 . 1 . . . . 78 ILE C . 10042 1 898 . 1 1 78 78 ILE CA C 13 58.760 0.300 . 1 . . . . 78 ILE CA . 10042 1 899 . 1 1 78 78 ILE CB C 13 42.553 0.300 . 1 . . . . 78 ILE CB . 10042 1 900 . 1 1 78 78 ILE CG1 C 13 26.263 0.300 . 1 . . . . 78 ILE CG1 . 10042 1 901 . 1 1 78 78 ILE CG2 C 13 21.395 0.300 . 1 . . . . 78 ILE CG2 . 10042 1 902 . 1 1 78 78 ILE CD1 C 13 15.692 0.300 . 1 . . . . 78 ILE CD1 . 10042 1 903 . 1 1 78 78 ILE N N 15 112.401 0.300 . 1 . . . . 78 ILE N . 10042 1 904 . 1 1 79 79 ASN H H 1 8.760 0.030 . 1 . . . . 79 ASN H . 10042 1 905 . 1 1 79 79 ASN HA H 1 4.951 0.030 . 1 . . . . 79 ASN HA . 10042 1 906 . 1 1 79 79 ASN HB2 H 1 2.536 0.030 . 2 . . . . 79 ASN HB2 . 10042 1 907 . 1 1 79 79 ASN HB3 H 1 2.889 0.030 . 2 . . . . 79 ASN HB3 . 10042 1 908 . 1 1 79 79 ASN HD21 H 1 7.566 0.030 . 2 . . . . 79 ASN HD21 . 10042 1 909 . 1 1 79 79 ASN HD22 H 1 7.004 0.030 . 2 . . . . 79 ASN HD22 . 10042 1 910 . 1 1 79 79 ASN C C 13 177.817 0.300 . 1 . . . . 79 ASN C . 10042 1 911 . 1 1 79 79 ASN CA C 13 51.100 0.300 . 1 . . . . 79 ASN CA . 10042 1 912 . 1 1 79 79 ASN CB C 13 38.388 0.300 . 1 . . . . 79 ASN CB . 10042 1 913 . 1 1 79 79 ASN N N 15 118.500 0.300 . 1 . . . . 79 ASN N . 10042 1 914 . 1 1 79 79 ASN ND2 N 15 112.514 0.300 . 1 . . . . 79 ASN ND2 . 10042 1 915 . 1 1 80 80 THR HA H 1 3.601 0.030 . 1 . . . . 80 THR HA . 10042 1 916 . 1 1 80 80 THR HB H 1 4.290 0.030 . 1 . . . . 80 THR HB . 10042 1 917 . 1 1 80 80 THR HG21 H 1 1.089 0.030 . 1 . . . . 80 THR HG2 . 10042 1 918 . 1 1 80 80 THR HG22 H 1 1.089 0.030 . 1 . . . . 80 THR HG2 . 10042 1 919 . 1 1 80 80 THR HG23 H 1 1.089 0.030 . 1 . . . . 80 THR HG2 . 10042 1 920 . 1 1 80 80 THR C C 13 176.632 0.300 . 1 . . . . 80 THR C . 10042 1 921 . 1 1 80 80 THR CA C 13 65.743 0.300 . 1 . . . . 80 THR CA . 10042 1 922 . 1 1 80 80 THR CB C 13 67.627 0.300 . 1 . . . . 80 THR CB . 10042 1 923 . 1 1 80 80 THR CG2 C 13 22.670 0.300 . 1 . . . . 80 THR CG2 . 10042 1 924 . 1 1 81 81 GLU H H 1 8.442 0.030 . 1 . . . . 81 GLU H . 10042 1 925 . 1 1 81 81 GLU HA H 1 4.220 0.030 . 1 . . . . 81 GLU HA . 10042 1 926 . 1 1 81 81 GLU HB2 H 1 2.151 0.030 . 1 . . . . 81 GLU HB2 . 10042 1 927 . 1 1 81 81 GLU HB3 H 1 2.151 0.030 . 1 . . . . 81 GLU HB3 . 10042 1 928 . 1 1 81 81 GLU HG2 H 1 2.379 0.030 . 1 . . . . 81 GLU HG2 . 10042 1 929 . 1 1 81 81 GLU HG3 H 1 2.379 0.030 . 1 . . . . 81 GLU HG3 . 10042 1 930 . 1 1 81 81 GLU C C 13 177.531 0.300 . 1 . . . . 81 GLU C . 10042 1 931 . 1 1 81 81 GLU CA C 13 58.852 0.300 . 1 . . . . 81 GLU CA . 10042 1 932 . 1 1 81 81 GLU CB C 13 29.319 0.300 . 1 . . . . 81 GLU CB . 10042 1 933 . 1 1 81 81 GLU CG C 13 36.906 0.300 . 1 . . . . 81 GLU CG . 10042 1 934 . 1 1 81 81 GLU N N 15 120.565 0.300 . 1 . . . . 81 GLU N . 10042 1 935 . 1 1 82 82 SER H H 1 6.990 0.030 . 1 . . . . 82 SER H . 10042 1 936 . 1 1 82 82 SER HA H 1 4.713 0.030 . 1 . . . . 82 SER HA . 10042 1 937 . 1 1 82 82 SER HB2 H 1 3.991 0.030 . 2 . . . . 82 SER HB2 . 10042 1 938 . 1 1 82 82 SER HB3 H 1 3.764 0.030 . 2 . . . . 82 SER HB3 . 10042 1 939 . 1 1 82 82 SER C C 13 173.769 0.300 . 1 . . . . 82 SER C . 10042 1 940 . 1 1 82 82 SER CA C 13 57.369 0.300 . 1 . . . . 82 SER CA . 10042 1 941 . 1 1 82 82 SER CB C 13 64.451 0.300 . 1 . . . . 82 SER CB . 10042 1 942 . 1 1 82 82 SER N N 15 110.895 0.300 . 1 . . . . 82 SER N . 10042 1 943 . 1 1 83 83 SER H H 1 7.138 0.030 . 1 . . . . 83 SER H . 10042 1 944 . 1 1 83 83 SER HA H 1 4.955 0.030 . 1 . . . . 83 SER HA . 10042 1 945 . 1 1 83 83 SER HB2 H 1 4.110 0.030 . 2 . . . . 83 SER HB2 . 10042 1 946 . 1 1 83 83 SER HB3 H 1 3.710 0.030 . 2 . . . . 83 SER HB3 . 10042 1 947 . 1 1 83 83 SER C C 13 171.965 0.300 . 1 . . . . 83 SER C . 10042 1 948 . 1 1 83 83 SER CA C 13 59.519 0.300 . 1 . . . . 83 SER CA . 10042 1 949 . 1 1 83 83 SER CB C 13 64.596 0.300 . 1 . . . . 83 SER CB . 10042 1 950 . 1 1 83 83 SER N N 15 118.497 0.300 . 1 . . . . 83 SER N . 10042 1 951 . 1 1 84 84 LEU H H 1 8.887 0.030 . 1 . . . . 84 LEU H . 10042 1 952 . 1 1 84 84 LEU HA H 1 4.841 0.030 . 1 . . . . 84 LEU HA . 10042 1 953 . 1 1 84 84 LEU HB2 H 1 1.783 0.030 . 2 . . . . 84 LEU HB2 . 10042 1 954 . 1 1 84 84 LEU HB3 H 1 1.620 0.030 . 2 . . . . 84 LEU HB3 . 10042 1 955 . 1 1 84 84 LEU HG H 1 1.571 0.030 . 1 . . . . 84 LEU HG . 10042 1 956 . 1 1 84 84 LEU HD11 H 1 0.830 0.030 . 1 . . . . 84 LEU HD1 . 10042 1 957 . 1 1 84 84 LEU HD12 H 1 0.830 0.030 . 1 . . . . 84 LEU HD1 . 10042 1 958 . 1 1 84 84 LEU HD13 H 1 0.830 0.030 . 1 . . . . 84 LEU HD1 . 10042 1 959 . 1 1 84 84 LEU HD21 H 1 0.828 0.030 . 1 . . . . 84 LEU HD2 . 10042 1 960 . 1 1 84 84 LEU HD22 H 1 0.828 0.030 . 1 . . . . 84 LEU HD2 . 10042 1 961 . 1 1 84 84 LEU HD23 H 1 0.828 0.030 . 1 . . . . 84 LEU HD2 . 10042 1 962 . 1 1 84 84 LEU C C 13 173.995 0.300 . 1 . . . . 84 LEU C . 10042 1 963 . 1 1 84 84 LEU CA C 13 55.296 0.300 . 1 . . . . 84 LEU CA . 10042 1 964 . 1 1 84 84 LEU CB C 13 45.099 0.300 . 1 . . . . 84 LEU CB . 10042 1 965 . 1 1 84 84 LEU CG C 13 26.680 0.300 . 1 . . . . 84 LEU CG . 10042 1 966 . 1 1 84 84 LEU CD1 C 13 25.239 0.300 . 2 . . . . 84 LEU CD1 . 10042 1 967 . 1 1 84 84 LEU CD2 C 13 25.322 0.300 . 2 . . . . 84 LEU CD2 . 10042 1 968 . 1 1 84 84 LEU N N 15 122.411 0.300 . 1 . . . . 84 LEU N . 10042 1 969 . 1 1 85 85 TRP H H 1 7.930 0.030 . 1 . . . . 85 TRP H . 10042 1 970 . 1 1 85 85 TRP HA H 1 5.939 0.030 . 1 . . . . 85 TRP HA . 10042 1 971 . 1 1 85 85 TRP HB2 H 1 3.398 0.030 . 2 . . . . 85 TRP HB2 . 10042 1 972 . 1 1 85 85 TRP HB3 H 1 2.968 0.030 . 2 . . . . 85 TRP HB3 . 10042 1 973 . 1 1 85 85 TRP HD1 H 1 7.051 0.030 . 1 . . . . 85 TRP HD1 . 10042 1 974 . 1 1 85 85 TRP HE1 H 1 10.207 0.030 . 1 . . . . 85 TRP HE1 . 10042 1 975 . 1 1 85 85 TRP HE3 H 1 7.227 0.030 . 1 . . . . 85 TRP HE3 . 10042 1 976 . 1 1 85 85 TRP HZ2 H 1 7.530 0.030 . 1 . . . . 85 TRP HZ2 . 10042 1 977 . 1 1 85 85 TRP HZ3 H 1 6.709 0.030 . 1 . . . . 85 TRP HZ3 . 10042 1 978 . 1 1 85 85 TRP HH2 H 1 7.258 0.030 . 1 . . . . 85 TRP HH2 . 10042 1 979 . 1 1 85 85 TRP C C 13 174.329 0.300 . 1 . . . . 85 TRP C . 10042 1 980 . 1 1 85 85 TRP CA C 13 55.090 0.300 . 1 . . . . 85 TRP CA . 10042 1 981 . 1 1 85 85 TRP CB C 13 33.734 0.300 . 1 . . . . 85 TRP CB . 10042 1 982 . 1 1 85 85 TRP CD1 C 13 126.750 0.300 . 1 . . . . 85 TRP CD1 . 10042 1 983 . 1 1 85 85 TRP CE3 C 13 120.088 0.300 . 1 . . . . 85 TRP CE3 . 10042 1 984 . 1 1 85 85 TRP CZ2 C 13 114.721 0.300 . 1 . . . . 85 TRP CZ2 . 10042 1 985 . 1 1 85 85 TRP CZ3 C 13 120.720 0.300 . 1 . . . . 85 TRP CZ3 . 10042 1 986 . 1 1 85 85 TRP CH2 C 13 124.502 0.300 . 1 . . . . 85 TRP CH2 . 10042 1 987 . 1 1 85 85 TRP N N 15 115.226 0.300 . 1 . . . . 85 TRP N . 10042 1 988 . 1 1 85 85 TRP NE1 N 15 129.957 0.300 . 1 . . . . 85 TRP NE1 . 10042 1 989 . 1 1 86 86 SER H H 1 9.601 0.030 . 1 . . . . 86 SER H . 10042 1 990 . 1 1 86 86 SER HA H 1 4.231 0.030 . 1 . . . . 86 SER HA . 10042 1 991 . 1 1 86 86 SER HB2 H 1 3.743 0.030 . 1 . . . . 86 SER HB2 . 10042 1 992 . 1 1 86 86 SER HB3 H 1 3.743 0.030 . 1 . . . . 86 SER HB3 . 10042 1 993 . 1 1 86 86 SER C C 13 172.036 0.300 . 1 . . . . 86 SER C . 10042 1 994 . 1 1 86 86 SER CA C 13 57.417 0.300 . 1 . . . . 86 SER CA . 10042 1 995 . 1 1 86 86 SER CB C 13 65.598 0.300 . 1 . . . . 86 SER CB . 10042 1 996 . 1 1 86 86 SER N N 15 114.046 0.300 . 1 . . . . 86 SER N . 10042 1 997 . 1 1 87 87 LEU H H 1 8.831 0.030 . 1 . . . . 87 LEU H . 10042 1 998 . 1 1 87 87 LEU HA H 1 5.042 0.030 . 1 . . . . 87 LEU HA . 10042 1 999 . 1 1 87 87 LEU HB2 H 1 1.918 0.030 . 2 . . . . 87 LEU HB2 . 10042 1 1000 . 1 1 87 87 LEU HB3 H 1 1.310 0.030 . 2 . . . . 87 LEU HB3 . 10042 1 1001 . 1 1 87 87 LEU HG H 1 1.002 0.030 . 1 . . . . 87 LEU HG . 10042 1 1002 . 1 1 87 87 LEU HD11 H 1 0.578 0.030 . 1 . . . . 87 LEU HD1 . 10042 1 1003 . 1 1 87 87 LEU HD12 H 1 0.578 0.030 . 1 . . . . 87 LEU HD1 . 10042 1 1004 . 1 1 87 87 LEU HD13 H 1 0.578 0.030 . 1 . . . . 87 LEU HD1 . 10042 1 1005 . 1 1 87 87 LEU HD21 H 1 0.788 0.030 . 1 . . . . 87 LEU HD2 . 10042 1 1006 . 1 1 87 87 LEU HD22 H 1 0.788 0.030 . 1 . . . . 87 LEU HD2 . 10042 1 1007 . 1 1 87 87 LEU HD23 H 1 0.788 0.030 . 1 . . . . 87 LEU HD2 . 10042 1 1008 . 1 1 87 87 LEU C C 13 176.026 0.300 . 1 . . . . 87 LEU C . 10042 1 1009 . 1 1 87 87 LEU CA C 13 53.814 0.300 . 1 . . . . 87 LEU CA . 10042 1 1010 . 1 1 87 87 LEU CB C 13 45.066 0.300 . 1 . . . . 87 LEU CB . 10042 1 1011 . 1 1 87 87 LEU CG C 13 28.056 0.300 . 1 . . . . 87 LEU CG . 10042 1 1012 . 1 1 87 87 LEU CD1 C 13 26.190 0.300 . 2 . . . . 87 LEU CD1 . 10042 1 1013 . 1 1 87 87 LEU CD2 C 13 23.584 0.300 . 2 . . . . 87 LEU CD2 . 10042 1 1014 . 1 1 87 87 LEU N N 15 122.405 0.300 . 1 . . . . 87 LEU N . 10042 1 1015 . 1 1 88 88 GLU H H 1 9.349 0.030 . 1 . . . . 88 GLU H . 10042 1 1016 . 1 1 88 88 GLU HA H 1 4.998 0.030 . 1 . . . . 88 GLU HA . 10042 1 1017 . 1 1 88 88 GLU HB2 H 1 2.149 0.030 . 2 . . . . 88 GLU HB2 . 10042 1 1018 . 1 1 88 88 GLU HB3 H 1 2.269 0.030 . 2 . . . . 88 GLU HB3 . 10042 1 1019 . 1 1 88 88 GLU HG2 H 1 2.169 0.030 . 2 . . . . 88 GLU HG2 . 10042 1 1020 . 1 1 88 88 GLU HG3 H 1 2.132 0.030 . 2 . . . . 88 GLU HG3 . 10042 1 1021 . 1 1 88 88 GLU C C 13 174.110 0.300 . 1 . . . . 88 GLU C . 10042 1 1022 . 1 1 88 88 GLU CA C 13 53.459 0.300 . 1 . . . . 88 GLU CA . 10042 1 1023 . 1 1 88 88 GLU CB C 13 29.262 0.300 . 1 . . . . 88 GLU CB . 10042 1 1024 . 1 1 88 88 GLU CG C 13 35.950 0.300 . 1 . . . . 88 GLU CG . 10042 1 1025 . 1 1 88 88 GLU N N 15 130.245 0.300 . 1 . . . . 88 GLU N . 10042 1 1026 . 1 1 89 89 PRO HA H 1 3.840 0.030 . 1 . . . . 89 PRO HA . 10042 1 1027 . 1 1 89 89 PRO HB2 H 1 2.438 0.030 . 2 . . . . 89 PRO HB2 . 10042 1 1028 . 1 1 89 89 PRO HB3 H 1 2.070 0.030 . 2 . . . . 89 PRO HB3 . 10042 1 1029 . 1 1 89 89 PRO HG2 H 1 2.230 0.030 . 2 . . . . 89 PRO HG2 . 10042 1 1030 . 1 1 89 89 PRO HG3 H 1 1.910 0.030 . 2 . . . . 89 PRO HG3 . 10042 1 1031 . 1 1 89 89 PRO HD2 H 1 3.821 0.030 . 2 . . . . 89 PRO HD2 . 10042 1 1032 . 1 1 89 89 PRO HD3 H 1 4.250 0.030 . 2 . . . . 89 PRO HD3 . 10042 1 1033 . 1 1 89 89 PRO C C 13 177.275 0.300 . 1 . . . . 89 PRO C . 10042 1 1034 . 1 1 89 89 PRO CA C 13 64.954 0.300 . 1 . . . . 89 PRO CA . 10042 1 1035 . 1 1 89 89 PRO CB C 13 32.428 0.300 . 1 . . . . 89 PRO CB . 10042 1 1036 . 1 1 89 89 PRO CG C 13 27.811 0.300 . 1 . . . . 89 PRO CG . 10042 1 1037 . 1 1 89 89 PRO CD C 13 52.111 0.300 . 1 . . . . 89 PRO CD . 10042 1 1038 . 1 1 90 90 GLY H H 1 9.069 0.030 . 1 . . . . 90 GLY H . 10042 1 1039 . 1 1 90 90 GLY HA2 H 1 3.857 0.030 . 2 . . . . 90 GLY HA2 . 10042 1 1040 . 1 1 90 90 GLY HA3 H 1 3.719 0.030 . 2 . . . . 90 GLY HA3 . 10042 1 1041 . 1 1 90 90 GLY C C 13 172.851 0.300 . 1 . . . . 90 GLY C . 10042 1 1042 . 1 1 90 90 GLY CA C 13 46.447 0.300 . 1 . . . . 90 GLY CA . 10042 1 1043 . 1 1 90 90 GLY N N 15 112.406 0.300 . 1 . . . . 90 GLY N . 10042 1 1044 . 1 1 91 91 LYS H H 1 8.205 0.030 . 1 . . . . 91 LYS H . 10042 1 1045 . 1 1 91 91 LYS HA H 1 4.656 0.030 . 1 . . . . 91 LYS HA . 10042 1 1046 . 1 1 91 91 LYS HB2 H 1 1.719 0.030 . 2 . . . . 91 LYS HB2 . 10042 1 1047 . 1 1 91 91 LYS HB3 H 1 1.582 0.030 . 2 . . . . 91 LYS HB3 . 10042 1 1048 . 1 1 91 91 LYS HG2 H 1 1.400 0.030 . 2 . . . . 91 LYS HG2 . 10042 1 1049 . 1 1 91 91 LYS HG3 H 1 1.287 0.030 . 2 . . . . 91 LYS HG3 . 10042 1 1050 . 1 1 91 91 LYS HD2 H 1 1.700 0.030 . 2 . . . . 91 LYS HD2 . 10042 1 1051 . 1 1 91 91 LYS HD3 H 1 1.669 0.030 . 2 . . . . 91 LYS HD3 . 10042 1 1052 . 1 1 91 91 LYS HE2 H 1 2.969 0.030 . 1 . . . . 91 LYS HE2 . 10042 1 1053 . 1 1 91 91 LYS HE3 H 1 2.969 0.030 . 1 . . . . 91 LYS HE3 . 10042 1 1054 . 1 1 91 91 LYS C C 13 176.139 0.300 . 1 . . . . 91 LYS C . 10042 1 1055 . 1 1 91 91 LYS CA C 13 57.665 0.300 . 1 . . . . 91 LYS CA . 10042 1 1056 . 1 1 91 91 LYS CB C 13 35.958 0.300 . 1 . . . . 91 LYS CB . 10042 1 1057 . 1 1 91 91 LYS CG C 13 24.670 0.300 . 1 . . . . 91 LYS CG . 10042 1 1058 . 1 1 91 91 LYS CD C 13 29.231 0.300 . 1 . . . . 91 LYS CD . 10042 1 1059 . 1 1 91 91 LYS CE C 13 42.336 0.300 . 1 . . . . 91 LYS CE . 10042 1 1060 . 1 1 91 91 LYS N N 15 118.127 0.300 . 1 . . . . 91 LYS N . 10042 1 1061 . 1 1 92 92 CYS H H 1 8.442 0.030 . 1 . . . . 92 CYS H . 10042 1 1062 . 1 1 92 92 CYS HA H 1 5.355 0.030 . 1 . . . . 92 CYS HA . 10042 1 1063 . 1 1 92 92 CYS HB2 H 1 2.508 0.030 . 2 . . . . 92 CYS HB2 . 10042 1 1064 . 1 1 92 92 CYS HB3 H 1 3.142 0.030 . 2 . . . . 92 CYS HB3 . 10042 1 1065 . 1 1 92 92 CYS C C 13 171.869 0.300 . 1 . . . . 92 CYS C . 10042 1 1066 . 1 1 92 92 CYS CA C 13 56.867 0.300 . 1 . . . . 92 CYS CA . 10042 1 1067 . 1 1 92 92 CYS CB C 13 29.901 0.300 . 1 . . . . 92 CYS CB . 10042 1 1068 . 1 1 92 92 CYS N N 15 112.923 0.300 . 1 . . . . 92 CYS N . 10042 1 1069 . 1 1 93 93 VAL H H 1 9.061 0.030 . 1 . . . . 93 VAL H . 10042 1 1070 . 1 1 93 93 VAL HA H 1 4.499 0.030 . 1 . . . . 93 VAL HA . 10042 1 1071 . 1 1 93 93 VAL HB H 1 1.846 0.030 . 1 . . . . 93 VAL HB . 10042 1 1072 . 1 1 93 93 VAL HG11 H 1 0.860 0.030 . 1 . . . . 93 VAL HG1 . 10042 1 1073 . 1 1 93 93 VAL HG12 H 1 0.860 0.030 . 1 . . . . 93 VAL HG1 . 10042 1 1074 . 1 1 93 93 VAL HG13 H 1 0.860 0.030 . 1 . . . . 93 VAL HG1 . 10042 1 1075 . 1 1 93 93 VAL HG21 H 1 0.780 0.030 . 1 . . . . 93 VAL HG2 . 10042 1 1076 . 1 1 93 93 VAL HG22 H 1 0.780 0.030 . 1 . . . . 93 VAL HG2 . 10042 1 1077 . 1 1 93 93 VAL HG23 H 1 0.780 0.030 . 1 . . . . 93 VAL HG2 . 10042 1 1078 . 1 1 93 93 VAL C C 13 173.943 0.300 . 1 . . . . 93 VAL C . 10042 1 1079 . 1 1 93 93 VAL CA C 13 62.585 0.300 . 1 . . . . 93 VAL CA . 10042 1 1080 . 1 1 93 93 VAL CB C 13 33.509 0.300 . 1 . . . . 93 VAL CB . 10042 1 1081 . 1 1 93 93 VAL CG1 C 13 22.000 0.300 . 2 . . . . 93 VAL CG1 . 10042 1 1082 . 1 1 93 93 VAL CG2 C 13 22.700 0.300 . 2 . . . . 93 VAL CG2 . 10042 1 1083 . 1 1 93 93 VAL N N 15 121.601 0.300 . 1 . . . . 93 VAL N . 10042 1 1084 . 1 1 94 94 LEU H H 1 9.360 0.030 . 1 . . . . 94 LEU H . 10042 1 1085 . 1 1 94 94 LEU HA H 1 5.145 0.030 . 1 . . . . 94 LEU HA . 10042 1 1086 . 1 1 94 94 LEU HB2 H 1 1.839 0.030 . 2 . . . . 94 LEU HB2 . 10042 1 1087 . 1 1 94 94 LEU HB3 H 1 1.361 0.030 . 2 . . . . 94 LEU HB3 . 10042 1 1088 . 1 1 94 94 LEU HG H 1 1.418 0.030 . 1 . . . . 94 LEU HG . 10042 1 1089 . 1 1 94 94 LEU HD11 H 1 0.788 0.030 . 1 . . . . 94 LEU HD1 . 10042 1 1090 . 1 1 94 94 LEU HD12 H 1 0.788 0.030 . 1 . . . . 94 LEU HD1 . 10042 1 1091 . 1 1 94 94 LEU HD13 H 1 0.788 0.030 . 1 . . . . 94 LEU HD1 . 10042 1 1092 . 1 1 94 94 LEU HD21 H 1 0.768 0.030 . 1 . . . . 94 LEU HD2 . 10042 1 1093 . 1 1 94 94 LEU HD22 H 1 0.768 0.030 . 1 . . . . 94 LEU HD2 . 10042 1 1094 . 1 1 94 94 LEU HD23 H 1 0.768 0.030 . 1 . . . . 94 LEU HD2 . 10042 1 1095 . 1 1 94 94 LEU C C 13 175.457 0.300 . 1 . . . . 94 LEU C . 10042 1 1096 . 1 1 94 94 LEU CA C 13 53.878 0.300 . 1 . . . . 94 LEU CA . 10042 1 1097 . 1 1 94 94 LEU CB C 13 43.605 0.300 . 1 . . . . 94 LEU CB . 10042 1 1098 . 1 1 94 94 LEU CG C 13 27.711 0.300 . 1 . . . . 94 LEU CG . 10042 1 1099 . 1 1 94 94 LEU CD1 C 13 25.466 0.300 . 2 . . . . 94 LEU CD1 . 10042 1 1100 . 1 1 94 94 LEU CD2 C 13 24.725 0.300 . 2 . . . . 94 LEU CD2 . 10042 1 1101 . 1 1 94 94 LEU N N 15 131.373 0.300 . 1 . . . . 94 LEU N . 10042 1 1102 . 1 1 95 95 VAL H H 1 9.751 0.030 . 1 . . . . 95 VAL H . 10042 1 1103 . 1 1 95 95 VAL HA H 1 4.684 0.030 . 1 . . . . 95 VAL HA . 10042 1 1104 . 1 1 95 95 VAL HB H 1 1.971 0.030 . 1 . . . . 95 VAL HB . 10042 1 1105 . 1 1 95 95 VAL HG11 H 1 0.834 0.030 . 1 . . . . 95 VAL HG1 . 10042 1 1106 . 1 1 95 95 VAL HG12 H 1 0.834 0.030 . 1 . . . . 95 VAL HG1 . 10042 1 1107 . 1 1 95 95 VAL HG13 H 1 0.834 0.030 . 1 . . . . 95 VAL HG1 . 10042 1 1108 . 1 1 95 95 VAL HG21 H 1 0.780 0.030 . 1 . . . . 95 VAL HG2 . 10042 1 1109 . 1 1 95 95 VAL HG22 H 1 0.780 0.030 . 1 . . . . 95 VAL HG2 . 10042 1 1110 . 1 1 95 95 VAL HG23 H 1 0.780 0.030 . 1 . . . . 95 VAL HG2 . 10042 1 1111 . 1 1 95 95 VAL C C 13 174.161 0.300 . 1 . . . . 95 VAL C . 10042 1 1112 . 1 1 95 95 VAL CA C 13 61.267 0.300 . 1 . . . . 95 VAL CA . 10042 1 1113 . 1 1 95 95 VAL CB C 13 33.646 0.300 . 1 . . . . 95 VAL CB . 10042 1 1114 . 1 1 95 95 VAL CG1 C 13 22.481 0.300 . 2 . . . . 95 VAL CG1 . 10042 1 1115 . 1 1 95 95 VAL CG2 C 13 20.671 0.300 . 2 . . . . 95 VAL CG2 . 10042 1 1116 . 1 1 95 95 VAL N N 15 126.569 0.300 . 1 . . . . 95 VAL N . 10042 1 1117 . 1 1 96 96 ASN H H 1 9.402 0.030 . 1 . . . . 96 ASN H . 10042 1 1118 . 1 1 96 96 ASN HA H 1 5.438 0.030 . 1 . . . . 96 ASN HA . 10042 1 1119 . 1 1 96 96 ASN HB2 H 1 2.859 0.030 . 2 . . . . 96 ASN HB2 . 10042 1 1120 . 1 1 96 96 ASN HB3 H 1 2.490 0.030 . 2 . . . . 96 ASN HB3 . 10042 1 1121 . 1 1 96 96 ASN HD21 H 1 7.041 0.030 . 2 . . . . 96 ASN HD21 . 10042 1 1122 . 1 1 96 96 ASN HD22 H 1 7.217 0.030 . 2 . . . . 96 ASN HD22 . 10042 1 1123 . 1 1 96 96 ASN C C 13 173.742 0.300 . 1 . . . . 96 ASN C . 10042 1 1124 . 1 1 96 96 ASN CA C 13 53.252 0.300 . 1 . . . . 96 ASN CA . 10042 1 1125 . 1 1 96 96 ASN CB C 13 40.856 0.300 . 1 . . . . 96 ASN CB . 10042 1 1126 . 1 1 96 96 ASN N N 15 127.771 0.300 . 1 . . . . 96 ASN N . 10042 1 1127 . 1 1 96 96 ASN ND2 N 15 109.919 0.300 . 1 . . . . 96 ASN ND2 . 10042 1 1128 . 1 1 97 97 LEU H H 1 8.759 0.030 . 1 . . . . 97 LEU H . 10042 1 1129 . 1 1 97 97 LEU HA H 1 4.620 0.030 . 1 . . . . 97 LEU HA . 10042 1 1130 . 1 1 97 97 LEU HB2 H 1 1.689 0.030 . 2 . . . . 97 LEU HB2 . 10042 1 1131 . 1 1 97 97 LEU HB3 H 1 1.012 0.030 . 2 . . . . 97 LEU HB3 . 10042 1 1132 . 1 1 97 97 LEU HG H 1 1.458 0.030 . 1 . . . . 97 LEU HG . 10042 1 1133 . 1 1 97 97 LEU HD11 H 1 0.581 0.030 . 1 . . . . 97 LEU HD1 . 10042 1 1134 . 1 1 97 97 LEU HD12 H 1 0.581 0.030 . 1 . . . . 97 LEU HD1 . 10042 1 1135 . 1 1 97 97 LEU HD13 H 1 0.581 0.030 . 1 . . . . 97 LEU HD1 . 10042 1 1136 . 1 1 97 97 LEU HD21 H 1 0.749 0.030 . 1 . . . . 97 LEU HD2 . 10042 1 1137 . 1 1 97 97 LEU HD22 H 1 0.749 0.030 . 1 . . . . 97 LEU HD2 . 10042 1 1138 . 1 1 97 97 LEU HD23 H 1 0.749 0.030 . 1 . . . . 97 LEU HD2 . 10042 1 1139 . 1 1 97 97 LEU C C 13 175.029 0.300 . 1 . . . . 97 LEU C . 10042 1 1140 . 1 1 97 97 LEU CA C 13 52.466 0.300 . 1 . . . . 97 LEU CA . 10042 1 1141 . 1 1 97 97 LEU CB C 13 43.417 0.300 . 1 . . . . 97 LEU CB . 10042 1 1142 . 1 1 97 97 LEU CG C 13 25.756 0.300 . 1 . . . . 97 LEU CG . 10042 1 1143 . 1 1 97 97 LEU CD1 C 13 25.539 0.300 . 2 . . . . 97 LEU CD1 . 10042 1 1144 . 1 1 97 97 LEU CD2 C 13 24.760 0.300 . 2 . . . . 97 LEU CD2 . 10042 1 1145 . 1 1 97 97 LEU N N 15 121.632 0.300 . 1 . . . . 97 LEU N . 10042 1 1146 . 1 1 98 98 SER H H 1 7.913 0.030 . 1 . . . . 98 SER H . 10042 1 1147 . 1 1 98 98 SER HA H 1 4.927 0.030 . 1 . . . . 98 SER HA . 10042 1 1148 . 1 1 98 98 SER HB2 H 1 3.818 0.030 . 2 . . . . 98 SER HB2 . 10042 1 1149 . 1 1 98 98 SER HB3 H 1 3.657 0.030 . 2 . . . . 98 SER HB3 . 10042 1 1150 . 1 1 98 98 SER C C 13 175.150 0.300 . 1 . . . . 98 SER C . 10042 1 1151 . 1 1 98 98 SER CA C 13 56.703 0.300 . 1 . . . . 98 SER CA . 10042 1 1152 . 1 1 98 98 SER CB C 13 63.237 0.300 . 1 . . . . 98 SER CB . 10042 1 1153 . 1 1 98 98 SER N N 15 117.851 0.300 . 1 . . . . 98 SER N . 10042 1 1154 . 1 1 99 99 LYS H H 1 8.142 0.030 . 1 . . . . 99 LYS H . 10042 1 1155 . 1 1 99 99 LYS HA H 1 4.048 0.030 . 1 . . . . 99 LYS HA . 10042 1 1156 . 1 1 99 99 LYS HB2 H 1 2.130 0.030 . 2 . . . . 99 LYS HB2 . 10042 1 1157 . 1 1 99 99 LYS HB3 H 1 1.651 0.030 . 2 . . . . 99 LYS HB3 . 10042 1 1158 . 1 1 99 99 LYS HG2 H 1 1.042 0.030 . 2 . . . . 99 LYS HG2 . 10042 1 1159 . 1 1 99 99 LYS HG3 H 1 0.910 0.030 . 2 . . . . 99 LYS HG3 . 10042 1 1160 . 1 1 99 99 LYS HD2 H 1 1.410 0.030 . 2 . . . . 99 LYS HD2 . 10042 1 1161 . 1 1 99 99 LYS HD3 H 1 1.658 0.030 . 2 . . . . 99 LYS HD3 . 10042 1 1162 . 1 1 99 99 LYS HE2 H 1 2.361 0.030 . 2 . . . . 99 LYS HE2 . 10042 1 1163 . 1 1 99 99 LYS HE3 H 1 2.180 0.030 . 2 . . . . 99 LYS HE3 . 10042 1 1164 . 1 1 99 99 LYS C C 13 177.365 0.300 . 1 . . . . 99 LYS C . 10042 1 1165 . 1 1 99 99 LYS CA C 13 58.999 0.300 . 1 . . . . 99 LYS CA . 10042 1 1166 . 1 1 99 99 LYS CB C 13 34.131 0.300 . 1 . . . . 99 LYS CB . 10042 1 1167 . 1 1 99 99 LYS CG C 13 27.404 0.300 . 1 . . . . 99 LYS CG . 10042 1 1168 . 1 1 99 99 LYS CD C 13 30.345 0.300 . 1 . . . . 99 LYS CD . 10042 1 1169 . 1 1 99 99 LYS CE C 13 42.336 0.300 . 1 . . . . 99 LYS CE . 10042 1 1170 . 1 1 99 99 LYS N N 15 126.524 0.300 . 1 . . . . 99 LYS N . 10042 1 1171 . 1 1 100 100 VAL H H 1 7.789 0.030 . 1 . . . . 100 VAL H . 10042 1 1172 . 1 1 100 100 VAL HA H 1 4.170 0.030 . 1 . . . . 100 VAL HA . 10042 1 1173 . 1 1 100 100 VAL HB H 1 1.970 0.030 . 1 . . . . 100 VAL HB . 10042 1 1174 . 1 1 100 100 VAL HG11 H 1 0.922 0.030 . 1 . . . . 100 VAL HG1 . 10042 1 1175 . 1 1 100 100 VAL HG12 H 1 0.922 0.030 . 1 . . . . 100 VAL HG1 . 10042 1 1176 . 1 1 100 100 VAL HG13 H 1 0.922 0.030 . 1 . . . . 100 VAL HG1 . 10042 1 1177 . 1 1 100 100 VAL HG21 H 1 0.836 0.030 . 1 . . . . 100 VAL HG2 . 10042 1 1178 . 1 1 100 100 VAL HG22 H 1 0.836 0.030 . 1 . . . . 100 VAL HG2 . 10042 1 1179 . 1 1 100 100 VAL HG23 H 1 0.836 0.030 . 1 . . . . 100 VAL HG2 . 10042 1 1180 . 1 1 100 100 VAL C C 13 176.654 0.300 . 1 . . . . 100 VAL C . 10042 1 1181 . 1 1 100 100 VAL CA C 13 63.481 0.300 . 1 . . . . 100 VAL CA . 10042 1 1182 . 1 1 100 100 VAL CB C 13 31.920 0.300 . 1 . . . . 100 VAL CB . 10042 1 1183 . 1 1 100 100 VAL CG1 C 13 21.050 0.300 . 2 . . . . 100 VAL CG1 . 10042 1 1184 . 1 1 100 100 VAL CG2 C 13 21.250 0.300 . 2 . . . . 100 VAL CG2 . 10042 1 1185 . 1 1 100 100 VAL N N 15 119.571 0.300 . 1 . . . . 100 VAL N . 10042 1 1186 . 1 1 101 101 GLY H H 1 8.400 0.030 . 1 . . . . 101 GLY H . 10042 1 1187 . 1 1 101 101 GLY HA2 H 1 4.000 0.030 . 2 . . . . 101 GLY HA2 . 10042 1 1188 . 1 1 101 101 GLY HA3 H 1 3.889 0.030 . 2 . . . . 101 GLY HA3 . 10042 1 1189 . 1 1 101 101 GLY C C 13 173.138 0.300 . 1 . . . . 101 GLY C . 10042 1 1190 . 1 1 101 101 GLY CA C 13 44.124 0.300 . 1 . . . . 101 GLY CA . 10042 1 1191 . 1 1 101 101 GLY N N 15 113.151 0.300 . 1 . . . . 101 GLY N . 10042 1 1192 . 1 1 102 102 GLU H H 1 8.261 0.030 . 1 . . . . 102 GLU H . 10042 1 1193 . 1 1 102 102 GLU HA H 1 4.350 0.030 . 1 . . . . 102 GLU HA . 10042 1 1194 . 1 1 102 102 GLU HB2 H 1 1.861 0.030 . 2 . . . . 102 GLU HB2 . 10042 1 1195 . 1 1 102 102 GLU HB3 H 1 1.737 0.030 . 2 . . . . 102 GLU HB3 . 10042 1 1196 . 1 1 102 102 GLU HG2 H 1 2.082 0.030 . 1 . . . . 102 GLU HG2 . 10042 1 1197 . 1 1 102 102 GLU HG3 H 1 2.082 0.030 . 1 . . . . 102 GLU HG3 . 10042 1 1198 . 1 1 102 102 GLU C C 13 175.379 0.300 . 1 . . . . 102 GLU C . 10042 1 1199 . 1 1 102 102 GLU CA C 13 55.770 0.300 . 1 . . . . 102 GLU CA . 10042 1 1200 . 1 1 102 102 GLU CB C 13 28.834 0.300 . 1 . . . . 102 GLU CB . 10042 1 1201 . 1 1 102 102 GLU CG C 13 36.427 0.300 . 1 . . . . 102 GLU CG . 10042 1 1202 . 1 1 102 102 GLU N N 15 120.683 0.300 . 1 . . . . 102 GLU N . 10042 1 1203 . 1 1 103 103 TYR H H 1 7.164 0.030 . 1 . . . . 103 TYR H . 10042 1 1204 . 1 1 103 103 TYR HA H 1 4.453 0.030 . 1 . . . . 103 TYR HA . 10042 1 1205 . 1 1 103 103 TYR HB2 H 1 2.668 0.030 . 2 . . . . 103 TYR HB2 . 10042 1 1206 . 1 1 103 103 TYR HB3 H 1 2.548 0.030 . 2 . . . . 103 TYR HB3 . 10042 1 1207 . 1 1 103 103 TYR HD1 H 1 6.920 0.030 . 1 . . . . 103 TYR HD1 . 10042 1 1208 . 1 1 103 103 TYR HD2 H 1 6.920 0.030 . 1 . . . . 103 TYR HD2 . 10042 1 1209 . 1 1 103 103 TYR HE1 H 1 6.692 0.030 . 1 . . . . 103 TYR HE1 . 10042 1 1210 . 1 1 103 103 TYR HE2 H 1 6.692 0.030 . 1 . . . . 103 TYR HE2 . 10042 1 1211 . 1 1 103 103 TYR C C 13 175.107 0.300 . 1 . . . . 103 TYR C . 10042 1 1212 . 1 1 103 103 TYR CA C 13 57.192 0.300 . 1 . . . . 103 TYR CA . 10042 1 1213 . 1 1 103 103 TYR CB C 13 40.022 0.300 . 1 . . . . 103 TYR CB . 10042 1 1214 . 1 1 103 103 TYR CD1 C 13 132.879 0.300 . 1 . . . . 103 TYR CD1 . 10042 1 1215 . 1 1 103 103 TYR CD2 C 13 132.879 0.300 . 1 . . . . 103 TYR CD2 . 10042 1 1216 . 1 1 103 103 TYR CE1 C 13 118.279 0.300 . 1 . . . . 103 TYR CE1 . 10042 1 1217 . 1 1 103 103 TYR CE2 C 13 118.279 0.300 . 1 . . . . 103 TYR CE2 . 10042 1 1218 . 1 1 103 103 TYR N N 15 120.071 0.300 . 1 . . . . 103 TYR N . 10042 1 1219 . 1 1 104 104 TRP H H 1 9.175 0.030 . 1 . . . . 104 TRP H . 10042 1 1220 . 1 1 104 104 TRP HA H 1 4.584 0.030 . 1 . . . . 104 TRP HA . 10042 1 1221 . 1 1 104 104 TRP HB2 H 1 3.343 0.030 . 2 . . . . 104 TRP HB2 . 10042 1 1222 . 1 1 104 104 TRP HB3 H 1 3.120 0.030 . 2 . . . . 104 TRP HB3 . 10042 1 1223 . 1 1 104 104 TRP HD1 H 1 7.204 0.030 . 1 . . . . 104 TRP HD1 . 10042 1 1224 . 1 1 104 104 TRP HE1 H 1 9.961 0.030 . 1 . . . . 104 TRP HE1 . 10042 1 1225 . 1 1 104 104 TRP HE3 H 1 7.331 0.030 . 1 . . . . 104 TRP HE3 . 10042 1 1226 . 1 1 104 104 TRP HZ2 H 1 7.337 0.030 . 1 . . . . 104 TRP HZ2 . 10042 1 1227 . 1 1 104 104 TRP HZ3 H 1 6.489 0.030 . 1 . . . . 104 TRP HZ3 . 10042 1 1228 . 1 1 104 104 TRP HH2 H 1 7.010 0.030 . 1 . . . . 104 TRP HH2 . 10042 1 1229 . 1 1 104 104 TRP C C 13 176.752 0.300 . 1 . . . . 104 TRP C . 10042 1 1230 . 1 1 104 104 TRP CA C 13 56.806 0.300 . 1 . . . . 104 TRP CA . 10042 1 1231 . 1 1 104 104 TRP CB C 13 29.168 0.300 . 1 . . . . 104 TRP CB . 10042 1 1232 . 1 1 104 104 TRP CD1 C 13 127.284 0.300 . 1 . . . . 104 TRP CD1 . 10042 1 1233 . 1 1 104 104 TRP CE3 C 13 119.544 0.300 . 1 . . . . 104 TRP CE3 . 10042 1 1234 . 1 1 104 104 TRP CZ2 C 13 114.889 0.300 . 1 . . . . 104 TRP CZ2 . 10042 1 1235 . 1 1 104 104 TRP CZ3 C 13 121.131 0.300 . 1 . . . . 104 TRP CZ3 . 10042 1 1236 . 1 1 104 104 TRP CH2 C 13 124.344 0.300 . 1 . . . . 104 TRP CH2 . 10042 1 1237 . 1 1 104 104 TRP N N 15 127.241 0.300 . 1 . . . . 104 TRP N . 10042 1 1238 . 1 1 104 104 TRP NE1 N 15 129.266 0.300 . 1 . . . . 104 TRP NE1 . 10042 1 1239 . 1 1 105 105 TRP H H 1 9.785 0.030 . 1 . . . . 105 TRP H . 10042 1 1240 . 1 1 105 105 TRP HA H 1 4.760 0.030 . 1 . . . . 105 TRP HA . 10042 1 1241 . 1 1 105 105 TRP HB2 H 1 2.781 0.030 . 2 . . . . 105 TRP HB2 . 10042 1 1242 . 1 1 105 105 TRP HB3 H 1 3.159 0.030 . 2 . . . . 105 TRP HB3 . 10042 1 1243 . 1 1 105 105 TRP HD1 H 1 7.191 0.030 . 1 . . . . 105 TRP HD1 . 10042 1 1244 . 1 1 105 105 TRP HE1 H 1 10.136 0.030 . 1 . . . . 105 TRP HE1 . 10042 1 1245 . 1 1 105 105 TRP HE3 H 1 7.669 0.030 . 1 . . . . 105 TRP HE3 . 10042 1 1246 . 1 1 105 105 TRP HZ2 H 1 7.023 0.030 . 1 . . . . 105 TRP HZ2 . 10042 1 1247 . 1 1 105 105 TRP HZ3 H 1 7.153 0.030 . 1 . . . . 105 TRP HZ3 . 10042 1 1248 . 1 1 105 105 TRP HH2 H 1 6.984 0.030 . 1 . . . . 105 TRP HH2 . 10042 1 1249 . 1 1 105 105 TRP C C 13 176.401 0.300 . 1 . . . . 105 TRP C . 10042 1 1250 . 1 1 105 105 TRP CA C 13 58.007 0.300 . 1 . . . . 105 TRP CA . 10042 1 1251 . 1 1 105 105 TRP CB C 13 29.029 0.300 . 1 . . . . 105 TRP CB . 10042 1 1252 . 1 1 105 105 TRP CD1 C 13 123.239 0.300 . 1 . . . . 105 TRP CD1 . 10042 1 1253 . 1 1 105 105 TRP CE3 C 13 123.099 0.300 . 1 . . . . 105 TRP CE3 . 10042 1 1254 . 1 1 105 105 TRP CZ2 C 13 114.168 0.300 . 1 . . . . 105 TRP CZ2 . 10042 1 1255 . 1 1 105 105 TRP CZ3 C 13 120.622 0.300 . 1 . . . . 105 TRP CZ3 . 10042 1 1256 . 1 1 105 105 TRP CH2 C 13 125.729 0.300 . 1 . . . . 105 TRP CH2 . 10042 1 1257 . 1 1 105 105 TRP N N 15 130.432 0.300 . 1 . . . . 105 TRP N . 10042 1 1258 . 1 1 105 105 TRP NE1 N 15 127.245 0.300 . 1 . . . . 105 TRP NE1 . 10042 1 1259 . 1 1 106 106 ASN H H 1 8.360 0.030 . 1 . . . . 106 ASN H . 10042 1 1260 . 1 1 106 106 ASN HA H 1 5.126 0.030 . 1 . . . . 106 ASN HA . 10042 1 1261 . 1 1 106 106 ASN HB2 H 1 3.120 0.030 . 2 . . . . 106 ASN HB2 . 10042 1 1262 . 1 1 106 106 ASN HB3 H 1 3.010 0.030 . 2 . . . . 106 ASN HB3 . 10042 1 1263 . 1 1 106 106 ASN HD21 H 1 7.812 0.030 . 2 . . . . 106 ASN HD21 . 10042 1 1264 . 1 1 106 106 ASN HD22 H 1 6.995 0.030 . 2 . . . . 106 ASN HD22 . 10042 1 1265 . 1 1 106 106 ASN C C 13 173.831 0.300 . 1 . . . . 106 ASN C . 10042 1 1266 . 1 1 106 106 ASN CA C 13 53.182 0.300 . 1 . . . . 106 ASN CA . 10042 1 1267 . 1 1 106 106 ASN CB C 13 40.013 0.300 . 1 . . . . 106 ASN CB . 10042 1 1268 . 1 1 106 106 ASN ND2 N 15 111.632 0.300 . 1 . . . . 106 ASN ND2 . 10042 1 1269 . 1 1 107 107 ALA H H 1 7.722 0.030 . 1 . . . . 107 ALA H . 10042 1 1270 . 1 1 107 107 ALA HA H 1 4.456 0.030 . 1 . . . . 107 ALA HA . 10042 1 1271 . 1 1 107 107 ALA HB1 H 1 1.332 0.030 . 1 . . . . 107 ALA HB . 10042 1 1272 . 1 1 107 107 ALA HB2 H 1 1.332 0.030 . 1 . . . . 107 ALA HB . 10042 1 1273 . 1 1 107 107 ALA HB3 H 1 1.332 0.030 . 1 . . . . 107 ALA HB . 10042 1 1274 . 1 1 107 107 ALA C C 13 175.781 0.300 . 1 . . . . 107 ALA C . 10042 1 1275 . 1 1 107 107 ALA CA C 13 51.592 0.300 . 1 . . . . 107 ALA CA . 10042 1 1276 . 1 1 107 107 ALA CB C 13 21.591 0.300 . 1 . . . . 107 ALA CB . 10042 1 1277 . 1 1 107 107 ALA N N 15 119.912 0.300 . 1 . . . . 107 ALA N . 10042 1 1278 . 1 1 108 108 ILE H H 1 8.684 0.030 . 1 . . . . 108 ILE H . 10042 1 1279 . 1 1 108 108 ILE HA H 1 4.043 0.030 . 1 . . . . 108 ILE HA . 10042 1 1280 . 1 1 108 108 ILE HB H 1 1.586 0.030 . 1 . . . . 108 ILE HB . 10042 1 1281 . 1 1 108 108 ILE HG12 H 1 0.389 0.030 . 2 . . . . 108 ILE HG12 . 10042 1 1282 . 1 1 108 108 ILE HG13 H 1 -0.190 0.030 . 2 . . . . 108 ILE HG13 . 10042 1 1283 . 1 1 108 108 ILE HG21 H 1 0.331 0.030 . 1 . . . . 108 ILE HG2 . 10042 1 1284 . 1 1 108 108 ILE HG22 H 1 0.331 0.030 . 1 . . . . 108 ILE HG2 . 10042 1 1285 . 1 1 108 108 ILE HG23 H 1 0.331 0.030 . 1 . . . . 108 ILE HG2 . 10042 1 1286 . 1 1 108 108 ILE HD11 H 1 -0.201 0.030 . 1 . . . . 108 ILE HD1 . 10042 1 1287 . 1 1 108 108 ILE HD12 H 1 -0.201 0.030 . 1 . . . . 108 ILE HD1 . 10042 1 1288 . 1 1 108 108 ILE HD13 H 1 -0.201 0.030 . 1 . . . . 108 ILE HD1 . 10042 1 1289 . 1 1 108 108 ILE C C 13 175.536 0.300 . 1 . . . . 108 ILE C . 10042 1 1290 . 1 1 108 108 ILE CA C 13 61.192 0.300 . 1 . . . . 108 ILE CA . 10042 1 1291 . 1 1 108 108 ILE CB C 13 35.714 0.300 . 1 . . . . 108 ILE CB . 10042 1 1292 . 1 1 108 108 ILE CG1 C 13 26.032 0.300 . 1 . . . . 108 ILE CG1 . 10042 1 1293 . 1 1 108 108 ILE CG2 C 13 17.212 0.300 . 1 . . . . 108 ILE CG2 . 10042 1 1294 . 1 1 108 108 ILE CD1 C 13 10.207 0.300 . 1 . . . . 108 ILE CD1 . 10042 1 1295 . 1 1 108 108 ILE N N 15 120.643 0.300 . 1 . . . . 108 ILE N . 10042 1 1296 . 1 1 109 109 LEU H H 1 6.784 0.030 . 1 . . . . 109 LEU H . 10042 1 1297 . 1 1 109 109 LEU HA H 1 5.158 0.030 . 1 . . . . 109 LEU HA . 10042 1 1298 . 1 1 109 109 LEU HB2 H 1 1.409 0.030 . 2 . . . . 109 LEU HB2 . 10042 1 1299 . 1 1 109 109 LEU HB3 H 1 1.606 0.030 . 2 . . . . 109 LEU HB3 . 10042 1 1300 . 1 1 109 109 LEU HG H 1 1.238 0.030 . 1 . . . . 109 LEU HG . 10042 1 1301 . 1 1 109 109 LEU HD11 H 1 0.738 0.030 . 1 . . . . 109 LEU HD1 . 10042 1 1302 . 1 1 109 109 LEU HD12 H 1 0.738 0.030 . 1 . . . . 109 LEU HD1 . 10042 1 1303 . 1 1 109 109 LEU HD13 H 1 0.738 0.030 . 1 . . . . 109 LEU HD1 . 10042 1 1304 . 1 1 109 109 LEU HD21 H 1 0.351 0.030 . 1 . . . . 109 LEU HD2 . 10042 1 1305 . 1 1 109 109 LEU HD22 H 1 0.351 0.030 . 1 . . . . 109 LEU HD2 . 10042 1 1306 . 1 1 109 109 LEU HD23 H 1 0.351 0.030 . 1 . . . . 109 LEU HD2 . 10042 1 1307 . 1 1 109 109 LEU C C 13 178.529 0.300 . 1 . . . . 109 LEU C . 10042 1 1308 . 1 1 109 109 LEU CA C 13 51.873 0.300 . 1 . . . . 109 LEU CA . 10042 1 1309 . 1 1 109 109 LEU CB C 13 44.645 0.300 . 1 . . . . 109 LEU CB . 10042 1 1310 . 1 1 109 109 LEU CG C 13 25.938 0.300 . 1 . . . . 109 LEU CG . 10042 1 1311 . 1 1 109 109 LEU CD1 C 13 25.684 0.300 . 2 . . . . 109 LEU CD1 . 10042 1 1312 . 1 1 109 109 LEU CD2 C 13 22.860 0.300 . 2 . . . . 109 LEU CD2 . 10042 1 1313 . 1 1 109 109 LEU N N 15 114.672 0.300 . 1 . . . . 109 LEU N . 10042 1 1314 . 1 1 110 110 GLU H H 1 8.652 0.030 . 1 . . . . 110 GLU H . 10042 1 1315 . 1 1 110 110 GLU HA H 1 3.918 0.030 . 1 . . . . 110 GLU HA . 10042 1 1316 . 1 1 110 110 GLU HB2 H 1 1.889 0.030 . 2 . . . . 110 GLU HB2 . 10042 1 1317 . 1 1 110 110 GLU HB3 H 1 1.709 0.030 . 2 . . . . 110 GLU HB3 . 10042 1 1318 . 1 1 110 110 GLU HG2 H 1 2.050 0.030 . 2 . . . . 110 GLU HG2 . 10042 1 1319 . 1 1 110 110 GLU HG3 H 1 1.971 0.030 . 2 . . . . 110 GLU HG3 . 10042 1 1320 . 1 1 110 110 GLU C C 13 177.785 0.300 . 1 . . . . 110 GLU C . 10042 1 1321 . 1 1 110 110 GLU CA C 13 57.755 0.300 . 1 . . . . 110 GLU CA . 10042 1 1322 . 1 1 110 110 GLU CB C 13 29.772 0.300 . 1 . . . . 110 GLU CB . 10042 1 1323 . 1 1 110 110 GLU CG C 13 36.110 0.300 . 1 . . . . 110 GLU CG . 10042 1 1324 . 1 1 110 110 GLU N N 15 121.978 0.300 . 1 . . . . 110 GLU N . 10042 1 1325 . 1 1 111 111 GLY H H 1 8.699 0.030 . 1 . . . . 111 GLY H . 10042 1 1326 . 1 1 111 111 GLY HA2 H 1 4.221 0.030 . 2 . . . . 111 GLY HA2 . 10042 1 1327 . 1 1 111 111 GLY HA3 H 1 3.729 0.030 . 2 . . . . 111 GLY HA3 . 10042 1 1328 . 1 1 111 111 GLY C C 13 174.004 0.300 . 1 . . . . 111 GLY C . 10042 1 1329 . 1 1 111 111 GLY CA C 13 45.339 0.300 . 1 . . . . 111 GLY CA . 10042 1 1330 . 1 1 111 111 GLY N N 15 113.719 0.300 . 1 . . . . 111 GLY N . 10042 1 1331 . 1 1 112 112 GLU H H 1 7.695 0.030 . 1 . . . . 112 GLU H . 10042 1 1332 . 1 1 112 112 GLU HA H 1 4.277 0.030 . 1 . . . . 112 GLU HA . 10042 1 1333 . 1 1 112 112 GLU HB2 H 1 2.239 0.030 . 2 . . . . 112 GLU HB2 . 10042 1 1334 . 1 1 112 112 GLU HB3 H 1 2.017 0.030 . 2 . . . . 112 GLU HB3 . 10042 1 1335 . 1 1 112 112 GLU HG2 H 1 2.560 0.030 . 2 . . . . 112 GLU HG2 . 10042 1 1336 . 1 1 112 112 GLU HG3 H 1 2.410 0.030 . 2 . . . . 112 GLU HG3 . 10042 1 1337 . 1 1 112 112 GLU C C 13 176.131 0.300 . 1 . . . . 112 GLU C . 10042 1 1338 . 1 1 112 112 GLU CA C 13 56.007 0.300 . 1 . . . . 112 GLU CA . 10042 1 1339 . 1 1 112 112 GLU CB C 13 31.027 0.300 . 1 . . . . 112 GLU CB . 10042 1 1340 . 1 1 112 112 GLU CG C 13 35.892 0.300 . 1 . . . . 112 GLU CG . 10042 1 1341 . 1 1 112 112 GLU N N 15 122.090 0.300 . 1 . . . . 112 GLU N . 10042 1 1342 . 1 1 113 113 GLU H H 1 8.752 0.030 . 1 . . . . 113 GLU H . 10042 1 1343 . 1 1 113 113 GLU HA H 1 4.506 0.030 . 1 . . . . 113 GLU HA . 10042 1 1344 . 1 1 113 113 GLU HB2 H 1 2.029 0.030 . 2 . . . . 113 GLU HB2 . 10042 1 1345 . 1 1 113 113 GLU HB3 H 1 1.969 0.030 . 2 . . . . 113 GLU HB3 . 10042 1 1346 . 1 1 113 113 GLU HG2 H 1 2.340 0.030 . 1 . . . . 113 GLU HG2 . 10042 1 1347 . 1 1 113 113 GLU HG3 H 1 2.340 0.030 . 1 . . . . 113 GLU HG3 . 10042 1 1348 . 1 1 113 113 GLU C C 13 173.935 0.300 . 1 . . . . 113 GLU C . 10042 1 1349 . 1 1 113 113 GLU CA C 13 54.649 0.300 . 1 . . . . 113 GLU CA . 10042 1 1350 . 1 1 113 113 GLU CB C 13 29.974 0.300 . 1 . . . . 113 GLU CB . 10042 1 1351 . 1 1 113 113 GLU CG C 13 36.024 0.300 . 1 . . . . 113 GLU CG . 10042 1 1352 . 1 1 113 113 GLU N N 15 127.586 0.300 . 1 . . . . 113 GLU N . 10042 1 1353 . 1 1 114 114 PRO HA H 1 4.699 0.030 . 1 . . . . 114 PRO HA . 10042 1 1354 . 1 1 114 114 PRO HB2 H 1 2.231 0.030 . 2 . . . . 114 PRO HB2 . 10042 1 1355 . 1 1 114 114 PRO HB3 H 1 1.975 0.030 . 2 . . . . 114 PRO HB3 . 10042 1 1356 . 1 1 114 114 PRO HG2 H 1 2.080 0.030 . 2 . . . . 114 PRO HG2 . 10042 1 1357 . 1 1 114 114 PRO HG3 H 1 2.000 0.030 . 2 . . . . 114 PRO HG3 . 10042 1 1358 . 1 1 114 114 PRO HD2 H 1 3.911 0.030 . 2 . . . . 114 PRO HD2 . 10042 1 1359 . 1 1 114 114 PRO HD3 H 1 3.709 0.030 . 2 . . . . 114 PRO HD3 . 10042 1 1360 . 1 1 114 114 PRO C C 13 177.992 0.300 . 1 . . . . 114 PRO C . 10042 1 1361 . 1 1 114 114 PRO CA C 13 62.623 0.300 . 1 . . . . 114 PRO CA . 10042 1 1362 . 1 1 114 114 PRO CB C 13 32.634 0.300 . 1 . . . . 114 PRO CB . 10042 1 1363 . 1 1 114 114 PRO CG C 13 27.694 0.300 . 1 . . . . 114 PRO CG . 10042 1 1364 . 1 1 114 114 PRO CD C 13 50.608 0.300 . 1 . . . . 114 PRO CD . 10042 1 1365 . 1 1 115 115 ILE H H 1 8.744 0.030 . 1 . . . . 115 ILE H . 10042 1 1366 . 1 1 115 115 ILE HA H 1 4.328 0.030 . 1 . . . . 115 ILE HA . 10042 1 1367 . 1 1 115 115 ILE HB H 1 1.922 0.030 . 1 . . . . 115 ILE HB . 10042 1 1368 . 1 1 115 115 ILE HG12 H 1 1.310 0.030 . 2 . . . . 115 ILE HG12 . 10042 1 1369 . 1 1 115 115 ILE HG13 H 1 1.459 0.030 . 2 . . . . 115 ILE HG13 . 10042 1 1370 . 1 1 115 115 ILE HG21 H 1 0.978 0.030 . 1 . . . . 115 ILE HG2 . 10042 1 1371 . 1 1 115 115 ILE HG22 H 1 0.978 0.030 . 1 . . . . 115 ILE HG2 . 10042 1 1372 . 1 1 115 115 ILE HG23 H 1 0.978 0.030 . 1 . . . . 115 ILE HG2 . 10042 1 1373 . 1 1 115 115 ILE HD11 H 1 0.806 0.030 . 1 . . . . 115 ILE HD1 . 10042 1 1374 . 1 1 115 115 ILE HD12 H 1 0.806 0.030 . 1 . . . . 115 ILE HD1 . 10042 1 1375 . 1 1 115 115 ILE HD13 H 1 0.806 0.030 . 1 . . . . 115 ILE HD1 . 10042 1 1376 . 1 1 115 115 ILE C C 13 175.771 0.300 . 1 . . . . 115 ILE C . 10042 1 1377 . 1 1 115 115 ILE CA C 13 61.108 0.300 . 1 . . . . 115 ILE CA . 10042 1 1378 . 1 1 115 115 ILE CB C 13 39.424 0.300 . 1 . . . . 115 ILE CB . 10042 1 1379 . 1 1 115 115 ILE CG1 C 13 26.751 0.300 . 1 . . . . 115 ILE CG1 . 10042 1 1380 . 1 1 115 115 ILE CG2 C 13 18.196 0.300 . 1 . . . . 115 ILE CG2 . 10042 1 1381 . 1 1 115 115 ILE CD1 C 13 14.063 0.300 . 1 . . . . 115 ILE CD1 . 10042 1 1382 . 1 1 115 115 ILE N N 15 119.065 0.300 . 1 . . . . 115 ILE N . 10042 1 1383 . 1 1 116 116 ASP H H 1 8.410 0.030 . 1 . . . . 116 ASP H . 10042 1 1384 . 1 1 116 116 ASP HA H 1 4.713 0.030 . 1 . . . . 116 ASP HA . 10042 1 1385 . 1 1 116 116 ASP HB2 H 1 2.720 0.030 . 2 . . . . 116 ASP HB2 . 10042 1 1386 . 1 1 116 116 ASP HB3 H 1 2.610 0.030 . 2 . . . . 116 ASP HB3 . 10042 1 1387 . 1 1 116 116 ASP C C 13 176.001 0.300 . 1 . . . . 116 ASP C . 10042 1 1388 . 1 1 116 116 ASP CA C 13 53.945 0.300 . 1 . . . . 116 ASP CA . 10042 1 1389 . 1 1 116 116 ASP CB C 13 41.329 0.300 . 1 . . . . 116 ASP CB . 10042 1 1390 . 1 1 116 116 ASP N N 15 122.810 0.300 . 1 . . . . 116 ASP N . 10042 1 1391 . 1 1 117 117 ILE H H 1 8.079 0.030 . 1 . . . . 117 ILE H . 10042 1 1392 . 1 1 117 117 ILE HA H 1 4.181 0.030 . 1 . . . . 117 ILE HA . 10042 1 1393 . 1 1 117 117 ILE HB H 1 1.829 0.030 . 1 . . . . 117 ILE HB . 10042 1 1394 . 1 1 117 117 ILE HG12 H 1 1.390 0.030 . 2 . . . . 117 ILE HG12 . 10042 1 1395 . 1 1 117 117 ILE HG13 H 1 1.139 0.030 . 2 . . . . 117 ILE HG13 . 10042 1 1396 . 1 1 117 117 ILE HG21 H 1 0.840 0.030 . 1 . . . . 117 ILE HG2 . 10042 1 1397 . 1 1 117 117 ILE HG22 H 1 0.840 0.030 . 1 . . . . 117 ILE HG2 . 10042 1 1398 . 1 1 117 117 ILE HG23 H 1 0.840 0.030 . 1 . . . . 117 ILE HG2 . 10042 1 1399 . 1 1 117 117 ILE HD11 H 1 0.794 0.030 . 1 . . . . 117 ILE HD1 . 10042 1 1400 . 1 1 117 117 ILE HD12 H 1 0.794 0.030 . 1 . . . . 117 ILE HD1 . 10042 1 1401 . 1 1 117 117 ILE HD13 H 1 0.794 0.030 . 1 . . . . 117 ILE HD1 . 10042 1 1402 . 1 1 117 117 ILE C C 13 175.685 0.300 . 1 . . . . 117 ILE C . 10042 1 1403 . 1 1 117 117 ILE CA C 13 60.950 0.300 . 1 . . . . 117 ILE CA . 10042 1 1404 . 1 1 117 117 ILE CB C 13 39.369 0.300 . 1 . . . . 117 ILE CB . 10042 1 1405 . 1 1 117 117 ILE CG1 C 13 27.349 0.300 . 1 . . . . 117 ILE CG1 . 10042 1 1406 . 1 1 117 117 ILE CG2 C 13 17.285 0.300 . 1 . . . . 117 ILE CG2 . 10042 1 1407 . 1 1 117 117 ILE CD1 C 13 13.447 0.300 . 1 . . . . 117 ILE CD1 . 10042 1 1408 . 1 1 117 117 ILE N N 15 121.393 0.300 . 1 . . . . 117 ILE N . 10042 1 1409 . 1 1 118 118 ASP H H 1 8.393 0.030 . 1 . . . . 118 ASP H . 10042 1 1410 . 1 1 118 118 ASP HA H 1 4.670 0.030 . 1 . . . . 118 ASP HA . 10042 1 1411 . 1 1 118 118 ASP HB2 H 1 2.745 0.030 . 2 . . . . 118 ASP HB2 . 10042 1 1412 . 1 1 118 118 ASP HB3 H 1 2.645 0.030 . 2 . . . . 118 ASP HB3 . 10042 1 1413 . 1 1 118 118 ASP C C 13 176.192 0.300 . 1 . . . . 118 ASP C . 10042 1 1414 . 1 1 118 118 ASP CA C 13 54.451 0.300 . 1 . . . . 118 ASP CA . 10042 1 1415 . 1 1 118 118 ASP CB C 13 41.423 0.300 . 1 . . . . 118 ASP CB . 10042 1 1416 . 1 1 118 118 ASP N N 15 124.165 0.300 . 1 . . . . 118 ASP N . 10042 1 1417 . 1 1 119 119 SER H H 1 8.238 0.030 . 1 . . . . 119 SER H . 10042 1 1418 . 1 1 119 119 SER HA H 1 4.456 0.030 . 1 . . . . 119 SER HA . 10042 1 1419 . 1 1 119 119 SER HB2 H 1 3.910 0.030 . 2 . . . . 119 SER HB2 . 10042 1 1420 . 1 1 119 119 SER HB3 H 1 3.839 0.030 . 2 . . . . 119 SER HB3 . 10042 1 1421 . 1 1 119 119 SER C C 13 174.784 0.300 . 1 . . . . 119 SER C . 10042 1 1422 . 1 1 119 119 SER CA C 13 58.478 0.300 . 1 . . . . 119 SER CA . 10042 1 1423 . 1 1 119 119 SER CB C 13 64.025 0.300 . 1 . . . . 119 SER CB . 10042 1 1424 . 1 1 119 119 SER N N 15 116.781 0.300 . 1 . . . . 119 SER N . 10042 1 1425 . 1 1 120 120 GLY H H 1 8.262 0.030 . 1 . . . . 120 GLY H . 10042 1 1426 . 1 1 120 120 GLY HA2 H 1 4.057 0.030 . 1 . . . . 120 GLY HA2 . 10042 1 1427 . 1 1 120 120 GLY HA3 H 1 4.057 0.030 . 1 . . . . 120 GLY HA3 . 10042 1 1428 . 1 1 120 120 GLY C C 13 171.820 0.300 . 1 . . . . 120 GLY C . 10042 1 1429 . 1 1 120 120 GLY CA C 13 44.774 0.300 . 1 . . . . 120 GLY CA . 10042 1 1430 . 1 1 120 120 GLY N N 15 110.668 0.300 . 1 . . . . 120 GLY N . 10042 1 1431 . 1 1 121 121 PRO HA H 1 4.442 0.030 . 1 . . . . 121 PRO HA . 10042 1 1432 . 1 1 121 121 PRO HB2 H 1 2.260 0.030 . 2 . . . . 121 PRO HB2 . 10042 1 1433 . 1 1 121 121 PRO HB3 H 1 1.960 0.030 . 2 . . . . 121 PRO HB3 . 10042 1 1434 . 1 1 121 121 PRO HG2 H 1 1.972 0.030 . 1 . . . . 121 PRO HG2 . 10042 1 1435 . 1 1 121 121 PRO HG3 H 1 1.972 0.030 . 1 . . . . 121 PRO HG3 . 10042 1 1436 . 1 1 121 121 PRO HD2 H 1 3.521 0.030 . 2 . . . . 121 PRO HD2 . 10042 1 1437 . 1 1 121 121 PRO HD3 H 1 3.579 0.030 . 2 . . . . 121 PRO HD3 . 10042 1 1438 . 1 1 121 121 PRO C C 13 177.362 0.300 . 1 . . . . 121 PRO C . 10042 1 1439 . 1 1 121 121 PRO CA C 13 63.272 0.300 . 1 . . . . 121 PRO CA . 10042 1 1440 . 1 1 121 121 PRO CB C 13 32.312 0.300 . 1 . . . . 121 PRO CB . 10042 1 1441 . 1 1 121 121 PRO CG C 13 27.204 0.300 . 1 . . . . 121 PRO CG . 10042 1 1442 . 1 1 121 121 PRO CD C 13 49.794 0.300 . 1 . . . . 121 PRO CD . 10042 1 1443 . 1 1 122 122 SER H H 1 8.495 0.030 . 1 . . . . 122 SER H . 10042 1 1444 . 1 1 122 122 SER HA H 1 4.499 0.030 . 1 . . . . 122 SER HA . 10042 1 1445 . 1 1 122 122 SER HB2 H 1 3.900 0.030 . 1 . . . . 122 SER HB2 . 10042 1 1446 . 1 1 122 122 SER HB3 H 1 3.900 0.030 . 1 . . . . 122 SER HB3 . 10042 1 1447 . 1 1 122 122 SER C C 13 174.714 0.300 . 1 . . . . 122 SER C . 10042 1 1448 . 1 1 122 122 SER CA C 13 58.331 0.300 . 1 . . . . 122 SER CA . 10042 1 1449 . 1 1 122 122 SER CB C 13 63.954 0.300 . 1 . . . . 122 SER CB . 10042 1 1450 . 1 1 122 122 SER N N 15 116.410 0.300 . 1 . . . . 122 SER N . 10042 1 1451 . 1 1 123 123 SER H H 1 8.337 0.030 . 1 . . . . 123 SER H . 10042 1 1452 . 1 1 123 123 SER HA H 1 4.499 0.030 . 1 . . . . 123 SER HA . 10042 1 1453 . 1 1 123 123 SER HB2 H 1 3.900 0.030 . 1 . . . . 123 SER HB2 . 10042 1 1454 . 1 1 123 123 SER HB3 H 1 3.900 0.030 . 1 . . . . 123 SER HB3 . 10042 1 1455 . 1 1 123 123 SER C C 13 173.935 0.300 . 1 . . . . 123 SER C . 10042 1 1456 . 1 1 123 123 SER CA C 13 58.360 0.300 . 1 . . . . 123 SER CA . 10042 1 1457 . 1 1 123 123 SER CB C 13 63.993 0.300 . 1 . . . . 123 SER CB . 10042 1 1458 . 1 1 123 123 SER N N 15 117.949 0.300 . 1 . . . . 123 SER N . 10042 1 1459 . 1 1 124 124 GLY H H 1 8.043 0.030 . 1 . . . . 124 GLY H . 10042 1 1460 . 1 1 124 124 GLY HA2 H 1 3.786 0.030 . 1 . . . . 124 GLY HA2 . 10042 1 1461 . 1 1 124 124 GLY HA3 H 1 3.786 0.030 . 1 . . . . 124 GLY HA3 . 10042 1 1462 . 1 1 124 124 GLY C C 13 179.023 0.300 . 1 . . . . 124 GLY C . 10042 1 1463 . 1 1 124 124 GLY CA C 13 46.289 0.300 . 1 . . . . 124 GLY CA . 10042 1 1464 . 1 1 124 124 GLY N N 15 116.864 0.300 . 1 . . . . 124 GLY N . 10042 1 stop_ save_