data_10008 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10008 _Entry.Title ; Solution structure of C-terminal fibronectin type III domain of mouse 1700129L13Rik protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-25 _Entry.Accession_date 2005-10-25 _Entry.Last_release_date 2006-11-06 _Entry.Original_release_date 2006-11-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 10008 2 S. Koshiba . . . 10008 3 M. Inoue . . . 10008 4 T. Kigawa . . . 10008 5 S. Yokoyama . . . 10008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 10008 '15N chemical shifts' 106 10008 '1H chemical shifts' 737 10008 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 . . 2006-11-06 2005-10-25 original author . 10008 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFT 'BMRB Entry Tracking System' 10008 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10008 _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 C-terminal fibronectin type III domain of mouse 1700129L13Rik protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 10008 1 2 S. Koshiba . . . 10008 1 3 M. Inoue . . . 10008 1 4 T. Kigawa . . . 10008 1 5 S. Yokoyama . . . 10008 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FN3 domain' 10008 1 'similar to host cell factor 2' 10008 1 'structural genomics' 10008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10008 _Assembly.ID 1 _Assembly.Name 'C-terminal FN3 domain of 1700129L13Rik 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' 10008 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 'FN3 domain' 1 $FN3_domain . . yes native no no . . . 10008 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1WFT . . . . . . 10008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FN3_domain _Entity.Sf_category entity _Entity.Sf_framecode FN3_domain _Entity.Entry_ID 10008 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FN3 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 ; GSSGSSGPGAPSTVRISKNV DGIHLSWEPPTSPSGNILEY SAYLAIRTAQMQDNPSQLVF MRIYCGLKTSCTVTAGQLAN AHIDYTSRPAIVFRISAKNE KGYGPATQIRWLQGNSKSGP SSG ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13038.744 _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 1WFT . "Solution Structure Of C-Terminal Fibronectin Type Iii Domain Of Mouse 1700129l13rik Protein" . . . . . 100.00 123 100.00 100.00 1.58e-83 . . . . 10008 1 2 no DBJ BAB24953 . "unnamed protein product [Mus musculus]" . . . . . 93.50 241 97.39 97.39 3.09e-75 . . . . 10008 1 3 no REF XP_006514073 . "PREDICTED: host cell factor 2 isoform X1 [Mus musculus]" . . . . . 86.99 878 99.07 100.00 1.57e-65 . . . . 10008 1 4 no REF XP_011241845 . "PREDICTED: host cell factor 2 isoform X1 [Mus musculus]" . . . . . 86.99 878 99.07 100.00 1.57e-65 . . . . 10008 1 5 no REF XP_011241846 . "PREDICTED: host cell factor 2 isoform X3 [Mus musculus]" . . . . . 86.18 727 99.06 100.00 1.80e-65 . . . . 10008 1 6 no REF XP_011241847 . "PREDICTED: host cell factor 2 isoform X5 [Mus musculus]" . . . . . 86.99 715 99.07 100.00 2.98e-66 . . . . 10008 1 7 no REF XP_011241848 . "PREDICTED: host cell factor 2 isoform X6 [Mus musculus]" . . . . . 86.99 699 99.07 100.00 1.76e-66 . . . . 10008 1 8 no SP Q9D968 . "RecName: Full=Host cell factor 2; Short=HCF-2; AltName: Full=C2 factor" . . . . . 93.50 241 97.39 97.39 3.09e-75 . . . . 10008 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 . 10008 1 2 . SER . 10008 1 3 . SER . 10008 1 4 . GLY . 10008 1 5 . SER . 10008 1 6 . SER . 10008 1 7 . GLY . 10008 1 8 . PRO . 10008 1 9 . GLY . 10008 1 10 . ALA . 10008 1 11 . PRO . 10008 1 12 . SER . 10008 1 13 . THR . 10008 1 14 . VAL . 10008 1 15 . ARG . 10008 1 16 . ILE . 10008 1 17 . SER . 10008 1 18 . LYS . 10008 1 19 . ASN . 10008 1 20 . VAL . 10008 1 21 . ASP . 10008 1 22 . GLY . 10008 1 23 . ILE . 10008 1 24 . HIS . 10008 1 25 . LEU . 10008 1 26 . SER . 10008 1 27 . TRP . 10008 1 28 . GLU . 10008 1 29 . PRO . 10008 1 30 . PRO . 10008 1 31 . THR . 10008 1 32 . SER . 10008 1 33 . PRO . 10008 1 34 . SER . 10008 1 35 . GLY . 10008 1 36 . ASN . 10008 1 37 . ILE . 10008 1 38 . LEU . 10008 1 39 . GLU . 10008 1 40 . TYR . 10008 1 41 . SER . 10008 1 42 . ALA . 10008 1 43 . TYR . 10008 1 44 . LEU . 10008 1 45 . ALA . 10008 1 46 . ILE . 10008 1 47 . ARG . 10008 1 48 . THR . 10008 1 49 . ALA . 10008 1 50 . GLN . 10008 1 51 . MET . 10008 1 52 . GLN . 10008 1 53 . ASP . 10008 1 54 . ASN . 10008 1 55 . PRO . 10008 1 56 . SER . 10008 1 57 . GLN . 10008 1 58 . LEU . 10008 1 59 . VAL . 10008 1 60 . PHE . 10008 1 61 . MET . 10008 1 62 . ARG . 10008 1 63 . ILE . 10008 1 64 . TYR . 10008 1 65 . CYS . 10008 1 66 . GLY . 10008 1 67 . LEU . 10008 1 68 . LYS . 10008 1 69 . THR . 10008 1 70 . SER . 10008 1 71 . CYS . 10008 1 72 . THR . 10008 1 73 . VAL . 10008 1 74 . THR . 10008 1 75 . ALA . 10008 1 76 . GLY . 10008 1 77 . GLN . 10008 1 78 . LEU . 10008 1 79 . ALA . 10008 1 80 . ASN . 10008 1 81 . ALA . 10008 1 82 . HIS . 10008 1 83 . ILE . 10008 1 84 . ASP . 10008 1 85 . TYR . 10008 1 86 . THR . 10008 1 87 . SER . 10008 1 88 . ARG . 10008 1 89 . PRO . 10008 1 90 . ALA . 10008 1 91 . ILE . 10008 1 92 . VAL . 10008 1 93 . PHE . 10008 1 94 . ARG . 10008 1 95 . ILE . 10008 1 96 . SER . 10008 1 97 . ALA . 10008 1 98 . LYS . 10008 1 99 . ASN . 10008 1 100 . GLU . 10008 1 101 . LYS . 10008 1 102 . GLY . 10008 1 103 . TYR . 10008 1 104 . GLY . 10008 1 105 . PRO . 10008 1 106 . ALA . 10008 1 107 . THR . 10008 1 108 . GLN . 10008 1 109 . ILE . 10008 1 110 . ARG . 10008 1 111 . TRP . 10008 1 112 . LEU . 10008 1 113 . GLN . 10008 1 114 . GLY . 10008 1 115 . ASN . 10008 1 116 . SER . 10008 1 117 . LYS . 10008 1 118 . SER . 10008 1 119 . GLY . 10008 1 120 . PRO . 10008 1 121 . SER . 10008 1 122 . SER . 10008 1 123 . GLY . 10008 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 10008 1 . SER 2 2 10008 1 . SER 3 3 10008 1 . GLY 4 4 10008 1 . SER 5 5 10008 1 . SER 6 6 10008 1 . GLY 7 7 10008 1 . PRO 8 8 10008 1 . GLY 9 9 10008 1 . ALA 10 10 10008 1 . PRO 11 11 10008 1 . SER 12 12 10008 1 . THR 13 13 10008 1 . VAL 14 14 10008 1 . ARG 15 15 10008 1 . ILE 16 16 10008 1 . SER 17 17 10008 1 . LYS 18 18 10008 1 . ASN 19 19 10008 1 . VAL 20 20 10008 1 . ASP 21 21 10008 1 . GLY 22 22 10008 1 . ILE 23 23 10008 1 . HIS 24 24 10008 1 . LEU 25 25 10008 1 . SER 26 26 10008 1 . TRP 27 27 10008 1 . GLU 28 28 10008 1 . PRO 29 29 10008 1 . PRO 30 30 10008 1 . THR 31 31 10008 1 . SER 32 32 10008 1 . PRO 33 33 10008 1 . SER 34 34 10008 1 . GLY 35 35 10008 1 . ASN 36 36 10008 1 . ILE 37 37 10008 1 . LEU 38 38 10008 1 . GLU 39 39 10008 1 . TYR 40 40 10008 1 . SER 41 41 10008 1 . ALA 42 42 10008 1 . TYR 43 43 10008 1 . LEU 44 44 10008 1 . ALA 45 45 10008 1 . ILE 46 46 10008 1 . ARG 47 47 10008 1 . THR 48 48 10008 1 . ALA 49 49 10008 1 . GLN 50 50 10008 1 . MET 51 51 10008 1 . GLN 52 52 10008 1 . ASP 53 53 10008 1 . ASN 54 54 10008 1 . PRO 55 55 10008 1 . SER 56 56 10008 1 . GLN 57 57 10008 1 . LEU 58 58 10008 1 . VAL 59 59 10008 1 . PHE 60 60 10008 1 . MET 61 61 10008 1 . ARG 62 62 10008 1 . ILE 63 63 10008 1 . TYR 64 64 10008 1 . CYS 65 65 10008 1 . GLY 66 66 10008 1 . LEU 67 67 10008 1 . LYS 68 68 10008 1 . THR 69 69 10008 1 . SER 70 70 10008 1 . CYS 71 71 10008 1 . THR 72 72 10008 1 . VAL 73 73 10008 1 . THR 74 74 10008 1 . ALA 75 75 10008 1 . GLY 76 76 10008 1 . GLN 77 77 10008 1 . LEU 78 78 10008 1 . ALA 79 79 10008 1 . ASN 80 80 10008 1 . ALA 81 81 10008 1 . HIS 82 82 10008 1 . ILE 83 83 10008 1 . ASP 84 84 10008 1 . TYR 85 85 10008 1 . THR 86 86 10008 1 . SER 87 87 10008 1 . ARG 88 88 10008 1 . PRO 89 89 10008 1 . ALA 90 90 10008 1 . ILE 91 91 10008 1 . VAL 92 92 10008 1 . PHE 93 93 10008 1 . ARG 94 94 10008 1 . ILE 95 95 10008 1 . SER 96 96 10008 1 . ALA 97 97 10008 1 . LYS 98 98 10008 1 . ASN 99 99 10008 1 . GLU 100 100 10008 1 . LYS 101 101 10008 1 . GLY 102 102 10008 1 . TYR 103 103 10008 1 . GLY 104 104 10008 1 . PRO 105 105 10008 1 . ALA 106 106 10008 1 . THR 107 107 10008 1 . GLN 108 108 10008 1 . ILE 109 109 10008 1 . ARG 110 110 10008 1 . TRP 111 111 10008 1 . LEU 112 112 10008 1 . GLN 113 113 10008 1 . GLY 114 114 10008 1 . ASN 115 115 10008 1 . SER 116 116 10008 1 . LYS 117 117 10008 1 . SER 118 118 10008 1 . GLY 119 119 10008 1 . PRO 120 120 10008 1 . SER 121 121 10008 1 . SER 122 122 10008 1 . GLY 123 123 10008 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 10008 _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 $FN3_domain . 10090 . no . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . no . . . . . . . . 10008 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID 1 1 $FN3_domain . BAB24953 . 12840784 . . . . 10008 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 10008 _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 $FN3_domain . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P031015-19 . . . . . . 10008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10008 _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 'FN3 domain' '[U-13C; U-15N]' . . 1 $FN3_domain . protein 1 . . mM . . . . 10008 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10008 1 3 NaCl . . . . . . salt 200 . . mM . . . . 10008 1 4 d-DTT . . . . . . salt 2 . . mM . . . . 10008 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10008 1 6 D2O . . . . . . solvent 10 . . % . . . . 10008 1 7 H2O . . . . . . solvent 90 . . % . . . . 10008 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 10008 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.22 0.001 M 10008 1 pH 7.0 0.05 pH 10008 1 pressure 1 0.03 atm 10008 1 temperature 298 0.1 K 10008 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10008 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10008 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10008 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10008 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10008 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10008 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10008 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10008 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8994 _Software.Details 'Kobayashi, N.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10008 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10008 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details 'Guntert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10008 5 'structure solution' 10008 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 10008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10008 _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 . . . . . . . . . . . . . . . . 10008 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10008 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 10008 _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 10008 _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 10008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) and then those of 15N and 13C were alculated 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 . . . . . . . . . 10008 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 10008 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10008 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10008 _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 10008 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10008 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 6 6 SER HA H 1 4.605 0.030 . 1 . . . . 6 SER HA . 10008 1 2 . 1 1 6 6 SER HB2 H 1 3.897 0.030 . 1 . . . . 6 SER HB2 . 10008 1 3 . 1 1 6 6 SER HB3 H 1 3.897 0.030 . 1 . . . . 6 SER HB3 . 10008 1 4 . 1 1 6 6 SER C C 13 174.460 0.300 . 1 . . . . 6 SER C . 10008 1 5 . 1 1 6 6 SER CA C 13 58.154 0.300 . 1 . . . . 6 SER CA . 10008 1 6 . 1 1 6 6 SER CB C 13 64.320 0.300 . 1 . . . . 6 SER CB . 10008 1 7 . 1 1 7 7 GLY H H 1 8.132 0.030 . 1 . . . . 7 GLY H . 10008 1 8 . 1 1 7 7 GLY HA2 H 1 4.211 0.030 . 2 . . . . 7 GLY HA2 . 10008 1 9 . 1 1 7 7 GLY HA3 H 1 3.744 0.030 . 2 . . . . 7 GLY HA3 . 10008 1 10 . 1 1 7 7 GLY C C 13 170.915 0.300 . 1 . . . . 7 GLY C . 10008 1 11 . 1 1 7 7 GLY CA C 13 44.423 0.300 . 1 . . . . 7 GLY CA . 10008 1 12 . 1 1 7 7 GLY N N 15 109.081 0.300 . 1 . . . . 7 GLY N . 10008 1 13 . 1 1 8 8 PRO HA H 1 4.609 0.030 . 1 . . . . 8 PRO HA . 10008 1 14 . 1 1 8 8 PRO HB2 H 1 2.078 0.030 . 1 . . . . 8 PRO HB2 . 10008 1 15 . 1 1 8 8 PRO HB3 H 1 2.078 0.030 . 1 . . . . 8 PRO HB3 . 10008 1 16 . 1 1 8 8 PRO HG2 H 1 1.904 0.030 . 2 . . . . 8 PRO HG2 . 10008 1 17 . 1 1 8 8 PRO HG3 H 1 1.663 0.030 . 2 . . . . 8 PRO HG3 . 10008 1 18 . 1 1 8 8 PRO HD2 H 1 3.542 0.030 . 2 . . . . 8 PRO HD2 . 10008 1 19 . 1 1 8 8 PRO HD3 H 1 3.380 0.030 . 2 . . . . 8 PRO HD3 . 10008 1 20 . 1 1 8 8 PRO C C 13 176.331 0.300 . 1 . . . . 8 PRO C . 10008 1 21 . 1 1 8 8 PRO CA C 13 62.732 0.300 . 1 . . . . 8 PRO CA . 10008 1 22 . 1 1 8 8 PRO CB C 13 33.002 0.300 . 1 . . . . 8 PRO CB . 10008 1 23 . 1 1 8 8 PRO CG C 13 26.946 0.300 . 1 . . . . 8 PRO CG . 10008 1 24 . 1 1 8 8 PRO CD C 13 49.086 0.300 . 1 . . . . 8 PRO CD . 10008 1 25 . 1 1 9 9 GLY H H 1 7.901 0.030 . 1 . . . . 9 GLY H . 10008 1 26 . 1 1 9 9 GLY HA2 H 1 4.198 0.030 . 2 . . . . 9 GLY HA2 . 10008 1 27 . 1 1 9 9 GLY HA3 H 1 3.839 0.030 . 2 . . . . 9 GLY HA3 . 10008 1 28 . 1 1 9 9 GLY C C 13 172.412 0.300 . 1 . . . . 9 GLY C . 10008 1 29 . 1 1 9 9 GLY CA C 13 44.113 0.300 . 1 . . . . 9 GLY CA . 10008 1 30 . 1 1 9 9 GLY N N 15 103.088 0.300 . 1 . . . . 9 GLY N . 10008 1 31 . 1 1 10 10 ALA H H 1 8.314 0.030 . 1 . . . . 10 ALA H . 10008 1 32 . 1 1 10 10 ALA HA H 1 4.833 0.030 . 1 . . . . 10 ALA HA . 10008 1 33 . 1 1 10 10 ALA HB1 H 1 1.305 0.030 . 1 . . . . 10 ALA HB . 10008 1 34 . 1 1 10 10 ALA HB2 H 1 1.305 0.030 . 1 . . . . 10 ALA HB . 10008 1 35 . 1 1 10 10 ALA HB3 H 1 1.305 0.030 . 1 . . . . 10 ALA HB . 10008 1 36 . 1 1 10 10 ALA C C 13 176.553 0.300 . 1 . . . . 10 ALA C . 10008 1 37 . 1 1 10 10 ALA CA C 13 50.280 0.300 . 1 . . . . 10 ALA CA . 10008 1 38 . 1 1 10 10 ALA CB C 13 18.481 0.300 . 1 . . . . 10 ALA CB . 10008 1 39 . 1 1 10 10 ALA N N 15 121.623 0.300 . 1 . . . . 10 ALA N . 10008 1 40 . 1 1 11 11 PRO HA H 1 4.266 0.030 . 1 . . . . 11 PRO HA . 10008 1 41 . 1 1 11 11 PRO HB2 H 1 2.413 0.030 . 2 . . . . 11 PRO HB2 . 10008 1 42 . 1 1 11 11 PRO HB3 H 1 1.468 0.030 . 2 . . . . 11 PRO HB3 . 10008 1 43 . 1 1 11 11 PRO HG2 H 1 1.674 0.030 . 1 . . . . 11 PRO HG2 . 10008 1 44 . 1 1 11 11 PRO HG3 H 1 1.674 0.030 . 1 . . . . 11 PRO HG3 . 10008 1 45 . 1 1 11 11 PRO HD2 H 1 4.257 0.030 . 2 . . . . 11 PRO HD2 . 10008 1 46 . 1 1 11 11 PRO HD3 H 1 3.709 0.030 . 2 . . . . 11 PRO HD3 . 10008 1 47 . 1 1 11 11 PRO C C 13 174.848 0.300 . 1 . . . . 11 PRO C . 10008 1 48 . 1 1 11 11 PRO CA C 13 63.824 0.300 . 1 . . . . 11 PRO CA . 10008 1 49 . 1 1 11 11 PRO CB C 13 32.318 0.300 . 1 . . . . 11 PRO CB . 10008 1 50 . 1 1 11 11 PRO CG C 13 28.497 0.300 . 1 . . . . 11 PRO CG . 10008 1 51 . 1 1 11 11 PRO CD C 13 50.243 0.300 . 1 . . . . 11 PRO CD . 10008 1 52 . 1 1 12 12 SER H H 1 8.252 0.030 . 1 . . . . 12 SER H . 10008 1 53 . 1 1 12 12 SER HA H 1 4.810 0.030 . 1 . . . . 12 SER HA . 10008 1 54 . 1 1 12 12 SER HB2 H 1 3.997 0.030 . 2 . . . . 12 SER HB2 . 10008 1 55 . 1 1 12 12 SER HB3 H 1 3.879 0.030 . 2 . . . . 12 SER HB3 . 10008 1 56 . 1 1 12 12 SER C C 13 173.033 0.300 . 1 . . . . 12 SER C . 10008 1 57 . 1 1 12 12 SER CA C 13 57.254 0.300 . 1 . . . . 12 SER CA . 10008 1 58 . 1 1 12 12 SER CB C 13 66.421 0.300 . 1 . . . . 12 SER CB . 10008 1 59 . 1 1 12 12 SER N N 15 116.697 0.300 . 1 . . . . 12 SER N . 10008 1 60 . 1 1 13 13 THR H H 1 8.463 0.030 . 1 . . . . 13 THR H . 10008 1 61 . 1 1 13 13 THR HA H 1 3.744 0.030 . 1 . . . . 13 THR HA . 10008 1 62 . 1 1 13 13 THR HB H 1 4.094 0.030 . 1 . . . . 13 THR HB . 10008 1 63 . 1 1 13 13 THR HG21 H 1 1.210 0.030 . 1 . . . . 13 THR HG2 . 10008 1 64 . 1 1 13 13 THR HG22 H 1 1.210 0.030 . 1 . . . . 13 THR HG2 . 10008 1 65 . 1 1 13 13 THR HG23 H 1 1.210 0.030 . 1 . . . . 13 THR HG2 . 10008 1 66 . 1 1 13 13 THR C C 13 172.571 0.300 . 1 . . . . 13 THR C . 10008 1 67 . 1 1 13 13 THR CA C 13 62.146 0.300 . 1 . . . . 13 THR CA . 10008 1 68 . 1 1 13 13 THR CB C 13 67.782 0.300 . 1 . . . . 13 THR CB . 10008 1 69 . 1 1 13 13 THR CG2 C 13 22.826 0.300 . 1 . . . . 13 THR CG2 . 10008 1 70 . 1 1 13 13 THR N N 15 115.341 0.300 . 1 . . . . 13 THR N . 10008 1 71 . 1 1 14 14 VAL H H 1 8.280 0.030 . 1 . . . . 14 VAL H . 10008 1 72 . 1 1 14 14 VAL HA H 1 4.799 0.030 . 1 . . . . 14 VAL HA . 10008 1 73 . 1 1 14 14 VAL HB H 1 1.961 0.030 . 1 . . . . 14 VAL HB . 10008 1 74 . 1 1 14 14 VAL HG11 H 1 0.902 0.030 . 1 . . . . 14 VAL HG1 . 10008 1 75 . 1 1 14 14 VAL HG12 H 1 0.902 0.030 . 1 . . . . 14 VAL HG1 . 10008 1 76 . 1 1 14 14 VAL HG13 H 1 0.902 0.030 . 1 . . . . 14 VAL HG1 . 10008 1 77 . 1 1 14 14 VAL HG21 H 1 0.845 0.030 . 1 . . . . 14 VAL HG2 . 10008 1 78 . 1 1 14 14 VAL HG22 H 1 0.845 0.030 . 1 . . . . 14 VAL HG2 . 10008 1 79 . 1 1 14 14 VAL HG23 H 1 0.845 0.030 . 1 . . . . 14 VAL HG2 . 10008 1 80 . 1 1 14 14 VAL C C 13 176.594 0.300 . 1 . . . . 14 VAL C . 10008 1 81 . 1 1 14 14 VAL CA C 13 62.229 0.300 . 1 . . . . 14 VAL CA . 10008 1 82 . 1 1 14 14 VAL CB C 13 31.966 0.300 . 1 . . . . 14 VAL CB . 10008 1 83 . 1 1 14 14 VAL CG1 C 13 22.327 0.300 . 1 . . . . 14 VAL CG1 . 10008 1 84 . 1 1 14 14 VAL CG2 C 13 21.817 0.300 . 1 . . . . 14 VAL CG2 . 10008 1 85 . 1 1 14 14 VAL N N 15 122.059 0.300 . 1 . . . . 14 VAL N . 10008 1 86 . 1 1 15 15 ARG H H 1 9.406 0.030 . 1 . . . . 15 ARG H . 10008 1 87 . 1 1 15 15 ARG HA H 1 4.727 0.030 . 1 . . . . 15 ARG HA . 10008 1 88 . 1 1 15 15 ARG HB2 H 1 1.724 0.030 . 2 . . . . 15 ARG HB2 . 10008 1 89 . 1 1 15 15 ARG HB3 H 1 1.640 0.030 . 2 . . . . 15 ARG HB3 . 10008 1 90 . 1 1 15 15 ARG HG2 H 1 1.532 0.030 . 1 . . . . 15 ARG HG2 . 10008 1 91 . 1 1 15 15 ARG HG3 H 1 1.532 0.030 . 1 . . . . 15 ARG HG3 . 10008 1 92 . 1 1 15 15 ARG HD2 H 1 3.197 0.030 . 2 . . . . 15 ARG HD2 . 10008 1 93 . 1 1 15 15 ARG HD3 H 1 3.074 0.030 . 2 . . . . 15 ARG HD3 . 10008 1 94 . 1 1 15 15 ARG C C 13 174.330 0.300 . 1 . . . . 15 ARG C . 10008 1 95 . 1 1 15 15 ARG CA C 13 54.922 0.300 . 1 . . . . 15 ARG CA . 10008 1 96 . 1 1 15 15 ARG CB C 13 33.638 0.300 . 1 . . . . 15 ARG CB . 10008 1 97 . 1 1 15 15 ARG CG C 13 27.425 0.300 . 1 . . . . 15 ARG CG . 10008 1 98 . 1 1 15 15 ARG CD C 13 43.536 0.300 . 1 . . . . 15 ARG CD . 10008 1 99 . 1 1 15 15 ARG N N 15 128.195 0.300 . 1 . . . . 15 ARG N . 10008 1 100 . 1 1 16 16 ILE H H 1 8.368 0.030 . 1 . . . . 16 ILE H . 10008 1 101 . 1 1 16 16 ILE HA H 1 4.809 0.030 . 1 . . . . 16 ILE HA . 10008 1 102 . 1 1 16 16 ILE HB H 1 1.281 0.030 . 1 . . . . 16 ILE HB . 10008 1 103 . 1 1 16 16 ILE HG12 H 1 1.213 0.030 . 2 . . . . 16 ILE HG12 . 10008 1 104 . 1 1 16 16 ILE HG13 H 1 0.503 0.030 . 2 . . . . 16 ILE HG13 . 10008 1 105 . 1 1 16 16 ILE HG21 H 1 -0.022 0.030 . 1 . . . . 16 ILE HG2 . 10008 1 106 . 1 1 16 16 ILE HG22 H 1 -0.022 0.030 . 1 . . . . 16 ILE HG2 . 10008 1 107 . 1 1 16 16 ILE HG23 H 1 -0.022 0.030 . 1 . . . . 16 ILE HG2 . 10008 1 108 . 1 1 16 16 ILE HD11 H 1 0.498 0.030 . 1 . . . . 16 ILE HD1 . 10008 1 109 . 1 1 16 16 ILE HD12 H 1 0.498 0.030 . 1 . . . . 16 ILE HD1 . 10008 1 110 . 1 1 16 16 ILE HD13 H 1 0.498 0.030 . 1 . . . . 16 ILE HD1 . 10008 1 111 . 1 1 16 16 ILE C C 13 175.209 0.300 . 1 . . . . 16 ILE C . 10008 1 112 . 1 1 16 16 ILE CA C 13 60.154 0.300 . 1 . . . . 16 ILE CA . 10008 1 113 . 1 1 16 16 ILE CB C 13 40.818 0.300 . 1 . . . . 16 ILE CB . 10008 1 114 . 1 1 16 16 ILE CG1 C 13 28.497 0.300 . 1 . . . . 16 ILE CG1 . 10008 1 115 . 1 1 16 16 ILE CG2 C 13 17.047 0.300 . 1 . . . . 16 ILE CG2 . 10008 1 116 . 1 1 16 16 ILE CD1 C 13 14.621 0.300 . 1 . . . . 16 ILE CD1 . 10008 1 117 . 1 1 16 16 ILE N N 15 121.893 0.300 . 1 . . . . 16 ILE N . 10008 1 118 . 1 1 17 17 SER H H 1 8.710 0.030 . 1 . . . . 17 SER H . 10008 1 119 . 1 1 17 17 SER HA H 1 4.804 0.030 . 1 . . . . 17 SER HA . 10008 1 120 . 1 1 17 17 SER HB2 H 1 3.811 0.030 . 1 . . . . 17 SER HB2 . 10008 1 121 . 1 1 17 17 SER HB3 H 1 3.811 0.030 . 1 . . . . 17 SER HB3 . 10008 1 122 . 1 1 17 17 SER C C 13 172.318 0.300 . 1 . . . . 17 SER C . 10008 1 123 . 1 1 17 17 SER CA C 13 56.705 0.300 . 1 . . . . 17 SER CA . 10008 1 124 . 1 1 17 17 SER CB C 13 65.591 0.300 . 1 . . . . 17 SER CB . 10008 1 125 . 1 1 17 17 SER N N 15 121.100 0.300 . 1 . . . . 17 SER N . 10008 1 126 . 1 1 18 18 LYS H H 1 8.833 0.030 . 1 . . . . 18 LYS H . 10008 1 127 . 1 1 18 18 LYS HA H 1 4.697 0.030 . 1 . . . . 18 LYS HA . 10008 1 128 . 1 1 18 18 LYS HB2 H 1 1.981 0.030 . 2 . . . . 18 LYS HB2 . 10008 1 129 . 1 1 18 18 LYS HB3 H 1 1.724 0.030 . 2 . . . . 18 LYS HB3 . 10008 1 130 . 1 1 18 18 LYS HG2 H 1 1.516 0.030 . 1 . . . . 18 LYS HG2 . 10008 1 131 . 1 1 18 18 LYS HG3 H 1 1.516 0.030 . 1 . . . . 18 LYS HG3 . 10008 1 132 . 1 1 18 18 LYS HD2 H 1 1.823 0.030 . 1 . . . . 18 LYS HD2 . 10008 1 133 . 1 1 18 18 LYS HD3 H 1 1.823 0.030 . 1 . . . . 18 LYS HD3 . 10008 1 134 . 1 1 18 18 LYS HE2 H 1 3.107 0.030 . 1 . . . . 18 LYS HE2 . 10008 1 135 . 1 1 18 18 LYS HE3 H 1 3.107 0.030 . 1 . . . . 18 LYS HE3 . 10008 1 136 . 1 1 18 18 LYS C C 13 175.400 0.300 . 1 . . . . 18 LYS C . 10008 1 137 . 1 1 18 18 LYS CA C 13 56.457 0.300 . 1 . . . . 18 LYS CA . 10008 1 138 . 1 1 18 18 LYS CB C 13 34.365 0.300 . 1 . . . . 18 LYS CB . 10008 1 139 . 1 1 18 18 LYS CG C 13 25.177 0.300 . 1 . . . . 18 LYS CG . 10008 1 140 . 1 1 18 18 LYS CD C 13 29.586 0.300 . 1 . . . . 18 LYS CD . 10008 1 141 . 1 1 18 18 LYS CE C 13 42.260 0.300 . 1 . . . . 18 LYS CE . 10008 1 142 . 1 1 18 18 LYS N N 15 123.904 0.300 . 1 . . . . 18 LYS N . 10008 1 143 . 1 1 19 19 ASN H H 1 8.637 0.030 . 1 . . . . 19 ASN H . 10008 1 144 . 1 1 19 19 ASN HA H 1 4.966 0.030 . 1 . . . . 19 ASN HA . 10008 1 145 . 1 1 19 19 ASN HB2 H 1 2.925 0.030 . 2 . . . . 19 ASN HB2 . 10008 1 146 . 1 1 19 19 ASN HB3 H 1 2.849 0.030 . 2 . . . . 19 ASN HB3 . 10008 1 147 . 1 1 19 19 ASN HD21 H 1 7.408 0.030 . 2 . . . . 19 ASN HD21 . 10008 1 148 . 1 1 19 19 ASN HD22 H 1 6.771 0.030 . 2 . . . . 19 ASN HD22 . 10008 1 149 . 1 1 19 19 ASN C C 13 175.684 0.300 . 1 . . . . 19 ASN C . 10008 1 150 . 1 1 19 19 ASN CA C 13 51.726 0.300 . 1 . . . . 19 ASN CA . 10008 1 151 . 1 1 19 19 ASN CB C 13 40.653 0.300 . 1 . . . . 19 ASN CB . 10008 1 152 . 1 1 19 19 ASN N N 15 124.592 0.300 . 1 . . . . 19 ASN N . 10008 1 153 . 1 1 19 19 ASN ND2 N 15 112.091 0.300 . 1 . . . . 19 ASN ND2 . 10008 1 154 . 1 1 20 20 VAL H H 1 8.269 0.030 . 1 . . . . 20 VAL H . 10008 1 155 . 1 1 20 20 VAL HA H 1 3.893 0.030 . 1 . . . . 20 VAL HA . 10008 1 156 . 1 1 20 20 VAL HB H 1 2.187 0.030 . 1 . . . . 20 VAL HB . 10008 1 157 . 1 1 20 20 VAL HG11 H 1 1.003 0.030 . 1 . . . . 20 VAL HG1 . 10008 1 158 . 1 1 20 20 VAL HG12 H 1 1.003 0.030 . 1 . . . . 20 VAL HG1 . 10008 1 159 . 1 1 20 20 VAL HG13 H 1 1.003 0.030 . 1 . . . . 20 VAL HG1 . 10008 1 160 . 1 1 20 20 VAL C C 13 176.170 0.300 . 1 . . . . 20 VAL C . 10008 1 161 . 1 1 20 20 VAL CA C 13 65.134 0.300 . 1 . . . . 20 VAL CA . 10008 1 162 . 1 1 20 20 VAL CB C 13 31.506 0.300 . 1 . . . . 20 VAL CB . 10008 1 163 . 1 1 20 20 VAL CG1 C 13 20.728 0.300 . 2 . . . . 20 VAL CG1 . 10008 1 164 . 1 1 21 21 ASP H H 1 8.061 0.030 . 1 . . . . 21 ASP H . 10008 1 165 . 1 1 21 21 ASP HA H 1 4.770 0.030 . 1 . . . . 21 ASP HA . 10008 1 166 . 1 1 21 21 ASP HB2 H 1 2.738 0.030 . 1 . . . . 21 ASP HB2 . 10008 1 167 . 1 1 21 21 ASP HB3 H 1 2.738 0.030 . 1 . . . . 21 ASP HB3 . 10008 1 168 . 1 1 21 21 ASP C C 13 175.821 0.300 . 1 . . . . 21 ASP C . 10008 1 169 . 1 1 21 21 ASP CA C 13 54.152 0.300 . 1 . . . . 21 ASP CA . 10008 1 170 . 1 1 21 21 ASP CB C 13 41.509 0.300 . 1 . . . . 21 ASP CB . 10008 1 171 . 1 1 21 21 ASP N N 15 118.026 0.300 . 1 . . . . 21 ASP N . 10008 1 172 . 1 1 22 22 GLY H H 1 7.719 0.030 . 1 . . . . 22 GLY H . 10008 1 173 . 1 1 22 22 GLY HA2 H 1 4.608 0.030 . 2 . . . . 22 GLY HA2 . 10008 1 174 . 1 1 22 22 GLY HA3 H 1 3.776 0.030 . 2 . . . . 22 GLY HA3 . 10008 1 175 . 1 1 22 22 GLY C C 13 172.210 0.300 . 1 . . . . 22 GLY C . 10008 1 176 . 1 1 22 22 GLY CA C 13 45.035 0.300 . 1 . . . . 22 GLY CA . 10008 1 177 . 1 1 22 22 GLY N N 15 108.828 0.300 . 1 . . . . 22 GLY N . 10008 1 178 . 1 1 23 23 ILE H H 1 8.601 0.030 . 1 . . . . 23 ILE H . 10008 1 179 . 1 1 23 23 ILE HA H 1 4.625 0.030 . 1 . . . . 23 ILE HA . 10008 1 180 . 1 1 23 23 ILE HB H 1 1.581 0.030 . 1 . . . . 23 ILE HB . 10008 1 181 . 1 1 23 23 ILE HG12 H 1 1.293 0.030 . 2 . . . . 23 ILE HG12 . 10008 1 182 . 1 1 23 23 ILE HG13 H 1 0.944 0.030 . 2 . . . . 23 ILE HG13 . 10008 1 183 . 1 1 23 23 ILE HG21 H 1 0.371 0.030 . 1 . . . . 23 ILE HG2 . 10008 1 184 . 1 1 23 23 ILE HG22 H 1 0.371 0.030 . 1 . . . . 23 ILE HG2 . 10008 1 185 . 1 1 23 23 ILE HG23 H 1 0.371 0.030 . 1 . . . . 23 ILE HG2 . 10008 1 186 . 1 1 23 23 ILE HD11 H 1 0.502 0.030 . 1 . . . . 23 ILE HD1 . 10008 1 187 . 1 1 23 23 ILE HD12 H 1 0.502 0.030 . 1 . . . . 23 ILE HD1 . 10008 1 188 . 1 1 23 23 ILE HD13 H 1 0.502 0.030 . 1 . . . . 23 ILE HD1 . 10008 1 189 . 1 1 23 23 ILE C C 13 173.935 0.300 . 1 . . . . 23 ILE C . 10008 1 190 . 1 1 23 23 ILE CA C 13 59.481 0.300 . 1 . . . . 23 ILE CA . 10008 1 191 . 1 1 23 23 ILE CB C 13 40.604 0.300 . 1 . . . . 23 ILE CB . 10008 1 192 . 1 1 23 23 ILE CG1 C 13 27.630 0.300 . 1 . . . . 23 ILE CG1 . 10008 1 193 . 1 1 23 23 ILE CG2 C 13 18.259 0.300 . 1 . . . . 23 ILE CG2 . 10008 1 194 . 1 1 23 23 ILE CD1 C 13 13.567 0.300 . 1 . . . . 23 ILE CD1 . 10008 1 195 . 1 1 23 23 ILE N N 15 119.546 0.300 . 1 . . . . 23 ILE N . 10008 1 196 . 1 1 24 24 HIS H H 1 9.071 0.030 . 1 . . . . 24 HIS H . 10008 1 197 . 1 1 24 24 HIS HA H 1 4.976 0.030 . 1 . . . . 24 HIS HA . 10008 1 198 . 1 1 24 24 HIS HB2 H 1 2.945 0.030 . 2 . . . . 24 HIS HB2 . 10008 1 199 . 1 1 24 24 HIS HB3 H 1 2.727 0.030 . 2 . . . . 24 HIS HB3 . 10008 1 200 . 1 1 24 24 HIS HD2 H 1 6.737 0.030 . 1 . . . . 24 HIS HD2 . 10008 1 201 . 1 1 24 24 HIS HE1 H 1 7.567 0.030 . 1 . . . . 24 HIS HE1 . 10008 1 202 . 1 1 24 24 HIS C C 13 173.763 0.300 . 1 . . . . 24 HIS C . 10008 1 203 . 1 1 24 24 HIS CA C 13 55.214 0.300 . 1 . . . . 24 HIS CA . 10008 1 204 . 1 1 24 24 HIS CB C 13 32.103 0.300 . 1 . . . . 24 HIS CB . 10008 1 205 . 1 1 24 24 HIS CD2 C 13 119.372 0.300 . 1 . . . . 24 HIS CD2 . 10008 1 206 . 1 1 24 24 HIS CE1 C 13 137.630 0.300 . 1 . . . . 24 HIS CE1 . 10008 1 207 . 1 1 24 24 HIS N N 15 125.438 0.300 . 1 . . . . 24 HIS N . 10008 1 208 . 1 1 25 25 LEU H H 1 8.607 0.030 . 1 . . . . 25 LEU H . 10008 1 209 . 1 1 25 25 LEU HA H 1 4.931 0.030 . 1 . . . . 25 LEU HA . 10008 1 210 . 1 1 25 25 LEU HB2 H 1 1.500 0.030 . 2 . . . . 25 LEU HB2 . 10008 1 211 . 1 1 25 25 LEU HB3 H 1 1.329 0.030 . 2 . . . . 25 LEU HB3 . 10008 1 212 . 1 1 25 25 LEU HG H 1 1.170 0.030 . 1 . . . . 25 LEU HG . 10008 1 213 . 1 1 25 25 LEU HD11 H 1 0.164 0.030 . 1 . . . . 25 LEU HD1 . 10008 1 214 . 1 1 25 25 LEU HD12 H 1 0.164 0.030 . 1 . . . . 25 LEU HD1 . 10008 1 215 . 1 1 25 25 LEU HD13 H 1 0.164 0.030 . 1 . . . . 25 LEU HD1 . 10008 1 216 . 1 1 25 25 LEU HD21 H 1 0.099 0.030 . 1 . . . . 25 LEU HD2 . 10008 1 217 . 1 1 25 25 LEU HD22 H 1 0.099 0.030 . 1 . . . . 25 LEU HD2 . 10008 1 218 . 1 1 25 25 LEU HD23 H 1 0.099 0.030 . 1 . . . . 25 LEU HD2 . 10008 1 219 . 1 1 25 25 LEU C C 13 174.612 0.300 . 1 . . . . 25 LEU C . 10008 1 220 . 1 1 25 25 LEU CA C 13 53.549 0.300 . 1 . . . . 25 LEU CA . 10008 1 221 . 1 1 25 25 LEU CB C 13 45.046 0.300 . 1 . . . . 25 LEU CB . 10008 1 222 . 1 1 25 25 LEU CG C 13 27.447 0.300 . 1 . . . . 25 LEU CG . 10008 1 223 . 1 1 25 25 LEU CD1 C 13 24.167 0.300 . 1 . . . . 25 LEU CD1 . 10008 1 224 . 1 1 25 25 LEU CD2 C 13 24.960 0.300 . 1 . . . . 25 LEU CD2 . 10008 1 225 . 1 1 25 25 LEU N N 15 128.652 0.300 . 1 . . . . 25 LEU N . 10008 1 226 . 1 1 26 26 SER H H 1 8.783 0.030 . 1 . . . . 26 SER H . 10008 1 227 . 1 1 26 26 SER HA H 1 4.607 0.030 . 1 . . . . 26 SER HA . 10008 1 228 . 1 1 26 26 SER HB2 H 1 3.704 0.030 . 2 . . . . 26 SER HB2 . 10008 1 229 . 1 1 26 26 SER HB3 H 1 3.486 0.030 . 2 . . . . 26 SER HB3 . 10008 1 230 . 1 1 26 26 SER C C 13 172.439 0.300 . 1 . . . . 26 SER C . 10008 1 231 . 1 1 26 26 SER CA C 13 57.100 0.300 . 1 . . . . 26 SER CA . 10008 1 232 . 1 1 26 26 SER CB C 13 66.341 0.300 . 1 . . . . 26 SER CB . 10008 1 233 . 1 1 26 26 SER N N 15 115.360 0.300 . 1 . . . . 26 SER N . 10008 1 234 . 1 1 27 27 TRP H H 1 7.817 0.030 . 1 . . . . 27 TRP H . 10008 1 235 . 1 1 27 27 TRP HA H 1 5.232 0.030 . 1 . . . . 27 TRP HA . 10008 1 236 . 1 1 27 27 TRP HB2 H 1 3.340 0.030 . 2 . . . . 27 TRP HB2 . 10008 1 237 . 1 1 27 27 TRP HB3 H 1 3.135 0.030 . 2 . . . . 27 TRP HB3 . 10008 1 238 . 1 1 27 27 TRP HD1 H 1 6.404 0.030 . 1 . . . . 27 TRP HD1 . 10008 1 239 . 1 1 27 27 TRP HE1 H 1 6.046 0.030 . 1 . . . . 27 TRP HE1 . 10008 1 240 . 1 1 27 27 TRP HE3 H 1 6.726 0.030 . 1 . . . . 27 TRP HE3 . 10008 1 241 . 1 1 27 27 TRP HZ2 H 1 7.127 0.030 . 1 . . . . 27 TRP HZ2 . 10008 1 242 . 1 1 27 27 TRP HZ3 H 1 6.532 0.030 . 1 . . . . 27 TRP HZ3 . 10008 1 243 . 1 1 27 27 TRP HH2 H 1 6.395 0.030 . 1 . . . . 27 TRP HH2 . 10008 1 244 . 1 1 27 27 TRP C C 13 173.227 0.300 . 1 . . . . 27 TRP C . 10008 1 245 . 1 1 27 27 TRP CA C 13 56.394 0.300 . 1 . . . . 27 TRP CA . 10008 1 246 . 1 1 27 27 TRP CB C 13 30.651 0.300 . 1 . . . . 27 TRP CB . 10008 1 247 . 1 1 27 27 TRP CD1 C 13 124.539 0.300 . 1 . . . . 27 TRP CD1 . 10008 1 248 . 1 1 27 27 TRP CE3 C 13 119.732 0.300 . 1 . . . . 27 TRP CE3 . 10008 1 249 . 1 1 27 27 TRP CZ2 C 13 114.158 0.300 . 1 . . . . 27 TRP CZ2 . 10008 1 250 . 1 1 27 27 TRP CZ3 C 13 121.846 0.300 . 1 . . . . 27 TRP CZ3 . 10008 1 251 . 1 1 27 27 TRP CH2 C 13 123.447 0.300 . 1 . . . . 27 TRP CH2 . 10008 1 252 . 1 1 27 27 TRP N N 15 118.528 0.300 . 1 . . . . 27 TRP N . 10008 1 253 . 1 1 27 27 TRP NE1 N 15 124.792 0.300 . 1 . . . . 27 TRP NE1 . 10008 1 254 . 1 1 28 28 GLU H H 1 8.690 0.030 . 1 . . . . 28 GLU H . 10008 1 255 . 1 1 28 28 GLU HA H 1 4.931 0.030 . 1 . . . . 28 GLU HA . 10008 1 256 . 1 1 28 28 GLU HB2 H 1 2.146 0.030 . 2 . . . . 28 GLU HB2 . 10008 1 257 . 1 1 28 28 GLU HB3 H 1 1.701 0.030 . 2 . . . . 28 GLU HB3 . 10008 1 258 . 1 1 28 28 GLU HG2 H 1 2.323 0.030 . 2 . . . . 28 GLU HG2 . 10008 1 259 . 1 1 28 28 GLU HG3 H 1 2.222 0.030 . 2 . . . . 28 GLU HG3 . 10008 1 260 . 1 1 28 28 GLU C C 13 174.168 0.300 . 1 . . . . 28 GLU C . 10008 1 261 . 1 1 28 28 GLU CA C 13 52.762 0.300 . 1 . . . . 28 GLU CA . 10008 1 262 . 1 1 28 28 GLU CB C 13 30.466 0.300 . 1 . . . . 28 GLU CB . 10008 1 263 . 1 1 28 28 GLU CG C 13 36.179 0.300 . 1 . . . . 28 GLU CG . 10008 1 264 . 1 1 28 28 GLU N N 15 117.230 0.300 . 1 . . . . 28 GLU N . 10008 1 265 . 1 1 29 29 PRO HA H 1 5.058 0.030 . 1 . . . . 29 PRO HA . 10008 1 266 . 1 1 29 29 PRO HB2 H 1 2.574 0.030 . 2 . . . . 29 PRO HB2 . 10008 1 267 . 1 1 29 29 PRO HB3 H 1 1.925 0.030 . 2 . . . . 29 PRO HB3 . 10008 1 268 . 1 1 29 29 PRO HG2 H 1 2.202 0.030 . 2 . . . . 29 PRO HG2 . 10008 1 269 . 1 1 29 29 PRO HG3 H 1 2.113 0.030 . 2 . . . . 29 PRO HG3 . 10008 1 270 . 1 1 29 29 PRO HD2 H 1 3.885 0.030 . 2 . . . . 29 PRO HD2 . 10008 1 271 . 1 1 29 29 PRO HD3 H 1 3.800 0.030 . 2 . . . . 29 PRO HD3 . 10008 1 272 . 1 1 29 29 PRO CA C 13 61.542 0.300 . 1 . . . . 29 PRO CA . 10008 1 273 . 1 1 29 29 PRO CB C 13 30.761 0.300 . 1 . . . . 29 PRO CB . 10008 1 274 . 1 1 29 29 PRO CG C 13 27.895 0.300 . 1 . . . . 29 PRO CG . 10008 1 275 . 1 1 29 29 PRO CD C 13 50.913 0.300 . 1 . . . . 29 PRO CD . 10008 1 276 . 1 1 30 30 PRO HA H 1 4.662 0.030 . 1 . . . . 30 PRO HA . 10008 1 277 . 1 1 30 30 PRO HB2 H 1 2.035 0.030 . 2 . . . . 30 PRO HB2 . 10008 1 278 . 1 1 30 30 PRO HB3 H 1 1.798 0.030 . 2 . . . . 30 PRO HB3 . 10008 1 279 . 1 1 30 30 PRO HG2 H 1 1.888 0.030 . 2 . . . . 30 PRO HG2 . 10008 1 280 . 1 1 30 30 PRO HG3 H 1 1.708 0.030 . 2 . . . . 30 PRO HG3 . 10008 1 281 . 1 1 30 30 PRO HD2 H 1 3.809 0.030 . 1 . . . . 30 PRO HD2 . 10008 1 282 . 1 1 30 30 PRO HD3 H 1 3.809 0.030 . 1 . . . . 30 PRO HD3 . 10008 1 283 . 1 1 30 30 PRO CA C 13 62.242 0.300 . 1 . . . . 30 PRO CA . 10008 1 284 . 1 1 30 30 PRO CB C 13 32.706 0.300 . 1 . . . . 30 PRO CB . 10008 1 285 . 1 1 30 30 PRO CG C 13 28.106 0.300 . 1 . . . . 30 PRO CG . 10008 1 286 . 1 1 30 30 PRO CD C 13 50.669 0.300 . 1 . . . . 30 PRO CD . 10008 1 287 . 1 1 31 31 THR H H 1 8.605 0.030 . 1 . . . . 31 THR H . 10008 1 288 . 1 1 31 31 THR HA H 1 4.181 0.030 . 1 . . . . 31 THR HA . 10008 1 289 . 1 1 31 31 THR HB H 1 4.310 0.030 . 1 . . . . 31 THR HB . 10008 1 290 . 1 1 31 31 THR HG21 H 1 1.316 0.030 . 1 . . . . 31 THR HG2 . 10008 1 291 . 1 1 31 31 THR HG22 H 1 1.316 0.030 . 1 . . . . 31 THR HG2 . 10008 1 292 . 1 1 31 31 THR HG23 H 1 1.316 0.030 . 1 . . . . 31 THR HG2 . 10008 1 293 . 1 1 31 31 THR C C 13 175.285 0.300 . 1 . . . . 31 THR C . 10008 1 294 . 1 1 31 31 THR CA C 13 63.264 0.300 . 1 . . . . 31 THR CA . 10008 1 295 . 1 1 31 31 THR CB C 13 69.056 0.300 . 1 . . . . 31 THR CB . 10008 1 296 . 1 1 31 31 THR CG2 C 13 22.117 0.300 . 1 . . . . 31 THR CG2 . 10008 1 297 . 1 1 31 31 THR N N 15 113.697 0.300 . 1 . . . . 31 THR N . 10008 1 298 . 1 1 32 32 SER H H 1 8.067 0.030 . 1 . . . . 32 SER H . 10008 1 299 . 1 1 32 32 SER HA H 1 4.879 0.030 . 1 . . . . 32 SER HA . 10008 1 300 . 1 1 32 32 SER HB2 H 1 3.871 0.030 . 2 . . . . 32 SER HB2 . 10008 1 301 . 1 1 32 32 SER HB3 H 1 3.796 0.030 . 2 . . . . 32 SER HB3 . 10008 1 302 . 1 1 32 32 SER CA C 13 55.405 0.300 . 1 . . . . 32 SER CA . 10008 1 303 . 1 1 32 32 SER CB C 13 63.324 0.300 . 1 . . . . 32 SER CB . 10008 1 304 . 1 1 32 32 SER N N 15 116.523 0.300 . 1 . . . . 32 SER N . 10008 1 305 . 1 1 33 33 PRO HA H 1 4.387 0.030 . 1 . . . . 33 PRO HA . 10008 1 306 . 1 1 33 33 PRO HB2 H 1 2.259 0.030 . 2 . . . . 33 PRO HB2 . 10008 1 307 . 1 1 33 33 PRO HB3 H 1 2.081 0.030 . 2 . . . . 33 PRO HB3 . 10008 1 308 . 1 1 33 33 PRO HG2 H 1 2.162 0.030 . 1 . . . . 33 PRO HG2 . 10008 1 309 . 1 1 33 33 PRO HG3 H 1 2.162 0.030 . 1 . . . . 33 PRO HG3 . 10008 1 310 . 1 1 33 33 PRO HD2 H 1 3.800 0.030 . 2 . . . . 33 PRO HD2 . 10008 1 311 . 1 1 33 33 PRO HD3 H 1 3.702 0.030 . 2 . . . . 33 PRO HD3 . 10008 1 312 . 1 1 33 33 PRO C C 13 177.179 0.300 . 1 . . . . 33 PRO C . 10008 1 313 . 1 1 33 33 PRO CA C 13 64.354 0.300 . 1 . . . . 33 PRO CA . 10008 1 314 . 1 1 33 33 PRO CB C 13 31.849 0.300 . 1 . . . . 33 PRO CB . 10008 1 315 . 1 1 33 33 PRO CG C 13 27.519 0.300 . 1 . . . . 33 PRO CG . 10008 1 316 . 1 1 33 33 PRO CD C 13 50.876 0.300 . 1 . . . . 33 PRO CD . 10008 1 317 . 1 1 34 34 SER H H 1 8.381 0.030 . 1 . . . . 34 SER H . 10008 1 318 . 1 1 34 34 SER HA H 1 4.490 0.030 . 1 . . . . 34 SER HA . 10008 1 319 . 1 1 34 34 SER HB2 H 1 3.903 0.030 . 2 . . . . 34 SER HB2 . 10008 1 320 . 1 1 34 34 SER HB3 H 1 3.789 0.030 . 2 . . . . 34 SER HB3 . 10008 1 321 . 1 1 34 34 SER CB C 13 64.502 0.300 . 1 . . . . 34 SER CB . 10008 1 322 . 1 1 34 34 SER N N 15 116.514 0.300 . 1 . . . . 34 SER N . 10008 1 323 . 1 1 36 36 ASN HA H 1 4.785 0.030 . 1 . . . . 36 ASN HA . 10008 1 324 . 1 1 36 36 ASN HB2 H 1 2.664 0.030 . 2 . . . . 36 ASN HB2 . 10008 1 325 . 1 1 36 36 ASN HB3 H 1 2.621 0.030 . 2 . . . . 36 ASN HB3 . 10008 1 326 . 1 1 36 36 ASN HD21 H 1 7.758 0.030 . 2 . . . . 36 ASN HD21 . 10008 1 327 . 1 1 36 36 ASN HD22 H 1 6.942 0.030 . 2 . . . . 36 ASN HD22 . 10008 1 328 . 1 1 36 36 ASN C C 13 174.265 0.300 . 1 . . . . 36 ASN C . 10008 1 329 . 1 1 36 36 ASN CA C 13 52.699 0.300 . 1 . . . . 36 ASN CA . 10008 1 330 . 1 1 36 36 ASN CB C 13 39.517 0.300 . 1 . . . . 36 ASN CB . 10008 1 331 . 1 1 36 36 ASN ND2 N 15 114.106 0.300 . 1 . . . . 36 ASN ND2 . 10008 1 332 . 1 1 37 37 ILE H H 1 8.348 0.030 . 1 . . . . 37 ILE H . 10008 1 333 . 1 1 37 37 ILE HA H 1 4.055 0.030 . 1 . . . . 37 ILE HA . 10008 1 334 . 1 1 37 37 ILE HB H 1 1.929 0.030 . 1 . . . . 37 ILE HB . 10008 1 335 . 1 1 37 37 ILE HG12 H 1 1.488 0.030 . 2 . . . . 37 ILE HG12 . 10008 1 336 . 1 1 37 37 ILE HG13 H 1 1.417 0.030 . 2 . . . . 37 ILE HG13 . 10008 1 337 . 1 1 37 37 ILE HG21 H 1 0.489 0.030 . 1 . . . . 37 ILE HG2 . 10008 1 338 . 1 1 37 37 ILE HG22 H 1 0.489 0.030 . 1 . . . . 37 ILE HG2 . 10008 1 339 . 1 1 37 37 ILE HG23 H 1 0.489 0.030 . 1 . . . . 37 ILE HG2 . 10008 1 340 . 1 1 37 37 ILE HD11 H 1 0.715 0.030 . 1 . . . . 37 ILE HD1 . 10008 1 341 . 1 1 37 37 ILE HD12 H 1 0.715 0.030 . 1 . . . . 37 ILE HD1 . 10008 1 342 . 1 1 37 37 ILE HD13 H 1 0.715 0.030 . 1 . . . . 37 ILE HD1 . 10008 1 343 . 1 1 37 37 ILE CA C 13 59.971 0.300 . 1 . . . . 37 ILE CA . 10008 1 344 . 1 1 37 37 ILE CB C 13 36.027 0.300 . 1 . . . . 37 ILE CB . 10008 1 345 . 1 1 37 37 ILE CG1 C 13 27.486 0.300 . 1 . . . . 37 ILE CG1 . 10008 1 346 . 1 1 37 37 ILE CG2 C 13 17.652 0.300 . 1 . . . . 37 ILE CG2 . 10008 1 347 . 1 1 37 37 ILE CD1 C 13 10.984 0.300 . 1 . . . . 37 ILE CD1 . 10008 1 348 . 1 1 37 37 ILE N N 15 121.583 0.300 . 1 . . . . 37 ILE N . 10008 1 349 . 1 1 38 38 LEU H H 1 8.833 0.030 . 1 . . . . 38 LEU H . 10008 1 350 . 1 1 38 38 LEU HA H 1 4.292 0.030 . 1 . . . . 38 LEU HA . 10008 1 351 . 1 1 38 38 LEU HB2 H 1 1.486 0.030 . 2 . . . . 38 LEU HB2 . 10008 1 352 . 1 1 38 38 LEU HB3 H 1 1.077 0.030 . 2 . . . . 38 LEU HB3 . 10008 1 353 . 1 1 38 38 LEU HG H 1 1.582 0.030 . 1 . . . . 38 LEU HG . 10008 1 354 . 1 1 38 38 LEU HD11 H 1 0.698 0.030 . 1 . . . . 38 LEU HD1 . 10008 1 355 . 1 1 38 38 LEU HD12 H 1 0.698 0.030 . 1 . . . . 38 LEU HD1 . 10008 1 356 . 1 1 38 38 LEU HD13 H 1 0.698 0.030 . 1 . . . . 38 LEU HD1 . 10008 1 357 . 1 1 38 38 LEU HD21 H 1 0.736 0.030 . 1 . . . . 38 LEU HD2 . 10008 1 358 . 1 1 38 38 LEU HD22 H 1 0.736 0.030 . 1 . . . . 38 LEU HD2 . 10008 1 359 . 1 1 38 38 LEU HD23 H 1 0.736 0.030 . 1 . . . . 38 LEU HD2 . 10008 1 360 . 1 1 38 38 LEU CA C 13 55.075 0.300 . 1 . . . . 38 LEU CA . 10008 1 361 . 1 1 38 38 LEU CB C 13 44.009 0.300 . 1 . . . . 38 LEU CB . 10008 1 362 . 1 1 38 38 LEU CG C 13 27.343 0.300 . 1 . . . . 38 LEU CG . 10008 1 363 . 1 1 38 38 LEU CD1 C 13 25.419 0.300 . 1 . . . . 38 LEU CD1 . 10008 1 364 . 1 1 38 38 LEU CD2 C 13 22.562 0.300 . 1 . . . . 38 LEU CD2 . 10008 1 365 . 1 1 39 39 GLU HA H 1 4.073 0.030 . 1 . . . . 39 GLU HA . 10008 1 366 . 1 1 39 39 GLU HB2 H 1 1.880 0.030 . 2 . . . . 39 GLU HB2 . 10008 1 367 . 1 1 39 39 GLU HB3 H 1 1.773 0.030 . 2 . . . . 39 GLU HB3 . 10008 1 368 . 1 1 39 39 GLU HG2 H 1 2.142 0.030 . 2 . . . . 39 GLU HG2 . 10008 1 369 . 1 1 39 39 GLU HG3 H 1 1.945 0.030 . 2 . . . . 39 GLU HG3 . 10008 1 370 . 1 1 39 39 GLU CA C 13 56.155 0.300 . 1 . . . . 39 GLU CA . 10008 1 371 . 1 1 39 39 GLU CB C 13 33.716 0.300 . 1 . . . . 39 GLU CB . 10008 1 372 . 1 1 39 39 GLU CG C 13 37.037 0.300 . 1 . . . . 39 GLU CG . 10008 1 373 . 1 1 40 40 TYR H H 1 9.132 0.030 . 1 . . . . 40 TYR H . 10008 1 374 . 1 1 40 40 TYR HA H 1 5.626 0.030 . 1 . . . . 40 TYR HA . 10008 1 375 . 1 1 40 40 TYR HB2 H 1 3.306 0.030 . 2 . . . . 40 TYR HB2 . 10008 1 376 . 1 1 40 40 TYR HB3 H 1 3.162 0.030 . 2 . . . . 40 TYR HB3 . 10008 1 377 . 1 1 40 40 TYR C C 13 175.724 0.300 . 1 . . . . 40 TYR C . 10008 1 378 . 1 1 40 40 TYR CA C 13 57.459 0.300 . 1 . . . . 40 TYR CA . 10008 1 379 . 1 1 40 40 TYR CB C 13 42.924 0.300 . 1 . . . . 40 TYR CB . 10008 1 380 . 1 1 40 40 TYR N N 15 119.414 0.300 . 1 . . . . 40 TYR N . 10008 1 381 . 1 1 41 41 SER H H 1 8.836 0.030 . 1 . . . . 41 SER H . 10008 1 382 . 1 1 41 41 SER HA H 1 5.460 0.030 . 1 . . . . 41 SER HA . 10008 1 383 . 1 1 41 41 SER HB2 H 1 3.657 0.030 . 2 . . . . 41 SER HB2 . 10008 1 384 . 1 1 41 41 SER HB3 H 1 3.206 0.030 . 2 . . . . 41 SER HB3 . 10008 1 385 . 1 1 41 41 SER C C 13 171.428 0.300 . 1 . . . . 41 SER C . 10008 1 386 . 1 1 41 41 SER CA C 13 58.678 0.300 . 1 . . . . 41 SER CA . 10008 1 387 . 1 1 41 41 SER CB C 13 69.300 0.300 . 1 . . . . 41 SER CB . 10008 1 388 . 1 1 41 41 SER N N 15 113.423 0.300 . 1 . . . . 41 SER N . 10008 1 389 . 1 1 42 42 ALA H H 1 8.622 0.030 . 1 . . . . 42 ALA H . 10008 1 390 . 1 1 42 42 ALA HA H 1 5.517 0.030 . 1 . . . . 42 ALA HA . 10008 1 391 . 1 1 42 42 ALA HB1 H 1 1.219 0.030 . 1 . . . . 42 ALA HB . 10008 1 392 . 1 1 42 42 ALA HB2 H 1 1.219 0.030 . 1 . . . . 42 ALA HB . 10008 1 393 . 1 1 42 42 ALA HB3 H 1 1.219 0.030 . 1 . . . . 42 ALA HB . 10008 1 394 . 1 1 42 42 ALA C C 13 175.936 0.300 . 1 . . . . 42 ALA C . 10008 1 395 . 1 1 42 42 ALA CA C 13 49.705 0.300 . 1 . . . . 42 ALA CA . 10008 1 396 . 1 1 42 42 ALA CB C 13 22.932 0.300 . 1 . . . . 42 ALA CB . 10008 1 397 . 1 1 42 42 ALA N N 15 122.198 0.300 . 1 . . . . 42 ALA N . 10008 1 398 . 1 1 43 43 TYR H H 1 9.735 0.030 . 1 . . . . 43 TYR H . 10008 1 399 . 1 1 43 43 TYR HA H 1 5.577 0.030 . 1 . . . . 43 TYR HA . 10008 1 400 . 1 1 43 43 TYR HB2 H 1 3.025 0.030 . 2 . . . . 43 TYR HB2 . 10008 1 401 . 1 1 43 43 TYR HB3 H 1 2.683 0.030 . 2 . . . . 43 TYR HB3 . 10008 1 402 . 1 1 43 43 TYR HD1 H 1 6.703 0.030 . 1 . . . . 43 TYR HD1 . 10008 1 403 . 1 1 43 43 TYR HD2 H 1 6.703 0.030 . 1 . . . . 43 TYR HD2 . 10008 1 404 . 1 1 43 43 TYR HE1 H 1 6.604 0.030 . 1 . . . . 43 TYR HE1 . 10008 1 405 . 1 1 43 43 TYR HE2 H 1 6.604 0.030 . 1 . . . . 43 TYR HE2 . 10008 1 406 . 1 1 43 43 TYR C C 13 173.804 0.300 . 1 . . . . 43 TYR C . 10008 1 407 . 1 1 43 43 TYR CA C 13 56.559 0.300 . 1 . . . . 43 TYR CA . 10008 1 408 . 1 1 43 43 TYR CB C 13 43.608 0.300 . 1 . . . . 43 TYR CB . 10008 1 409 . 1 1 43 43 TYR CD1 C 13 132.882 0.300 . 1 . . . . 43 TYR CD1 . 10008 1 410 . 1 1 43 43 TYR CD2 C 13 132.882 0.300 . 1 . . . . 43 TYR CD2 . 10008 1 411 . 1 1 43 43 TYR CE1 C 13 118.514 0.300 . 1 . . . . 43 TYR CE1 . 10008 1 412 . 1 1 43 43 TYR CE2 C 13 118.514 0.300 . 1 . . . . 43 TYR CE2 . 10008 1 413 . 1 1 43 43 TYR N N 15 119.546 0.300 . 1 . . . . 43 TYR N . 10008 1 414 . 1 1 44 44 LEU H H 1 9.140 0.030 . 1 . . . . 44 LEU H . 10008 1 415 . 1 1 44 44 LEU HA H 1 5.276 0.030 . 1 . . . . 44 LEU HA . 10008 1 416 . 1 1 44 44 LEU HB2 H 1 1.766 0.030 . 2 . . . . 44 LEU HB2 . 10008 1 417 . 1 1 44 44 LEU HB3 H 1 1.457 0.030 . 2 . . . . 44 LEU HB3 . 10008 1 418 . 1 1 44 44 LEU HG H 1 1.472 0.030 . 1 . . . . 44 LEU HG . 10008 1 419 . 1 1 44 44 LEU HD11 H 1 0.627 0.030 . 1 . . . . 44 LEU HD1 . 10008 1 420 . 1 1 44 44 LEU HD12 H 1 0.627 0.030 . 1 . . . . 44 LEU HD1 . 10008 1 421 . 1 1 44 44 LEU HD13 H 1 0.627 0.030 . 1 . . . . 44 LEU HD1 . 10008 1 422 . 1 1 44 44 LEU HD21 H 1 0.757 0.030 . 1 . . . . 44 LEU HD2 . 10008 1 423 . 1 1 44 44 LEU HD22 H 1 0.757 0.030 . 1 . . . . 44 LEU HD2 . 10008 1 424 . 1 1 44 44 LEU HD23 H 1 0.757 0.030 . 1 . . . . 44 LEU HD2 . 10008 1 425 . 1 1 44 44 LEU C C 13 175.704 0.300 . 1 . . . . 44 LEU C . 10008 1 426 . 1 1 44 44 LEU CA C 13 53.052 0.300 . 1 . . . . 44 LEU CA . 10008 1 427 . 1 1 44 44 LEU CB C 13 48.836 0.300 . 1 . . . . 44 LEU CB . 10008 1 428 . 1 1 44 44 LEU CG C 13 26.952 0.300 . 1 . . . . 44 LEU CG . 10008 1 429 . 1 1 44 44 LEU CD1 C 13 23.551 0.300 . 1 . . . . 44 LEU CD1 . 10008 1 430 . 1 1 44 44 LEU CD2 C 13 27.271 0.300 . 1 . . . . 44 LEU CD2 . 10008 1 431 . 1 1 44 44 LEU N N 15 123.137 0.300 . 1 . . . . 44 LEU N . 10008 1 432 . 1 1 45 45 ALA H H 1 8.454 0.030 . 1 . . . . 45 ALA H . 10008 1 433 . 1 1 45 45 ALA HA H 1 4.373 0.030 . 1 . . . . 45 ALA HA . 10008 1 434 . 1 1 45 45 ALA HB1 H 1 0.945 0.030 . 1 . . . . 45 ALA HB . 10008 1 435 . 1 1 45 45 ALA HB2 H 1 0.945 0.030 . 1 . . . . 45 ALA HB . 10008 1 436 . 1 1 45 45 ALA HB3 H 1 0.945 0.030 . 1 . . . . 45 ALA HB . 10008 1 437 . 1 1 45 45 ALA C C 13 178.292 0.300 . 1 . . . . 45 ALA C . 10008 1 438 . 1 1 45 45 ALA CA C 13 52.087 0.300 . 1 . . . . 45 ALA CA . 10008 1 439 . 1 1 45 45 ALA CB C 13 17.407 0.300 . 1 . . . . 45 ALA CB . 10008 1 440 . 1 1 45 45 ALA N N 15 129.480 0.300 . 1 . . . . 45 ALA N . 10008 1 441 . 1 1 46 46 ILE H H 1 8.822 0.030 . 1 . . . . 46 ILE H . 10008 1 442 . 1 1 46 46 ILE HA H 1 4.898 0.030 . 1 . . . . 46 ILE HA . 10008 1 443 . 1 1 46 46 ILE HB H 1 1.983 0.030 . 1 . . . . 46 ILE HB . 10008 1 444 . 1 1 46 46 ILE HG12 H 1 1.303 0.030 . 2 . . . . 46 ILE HG12 . 10008 1 445 . 1 1 46 46 ILE HG13 H 1 1.006 0.030 . 2 . . . . 46 ILE HG13 . 10008 1 446 . 1 1 46 46 ILE HG21 H 1 0.912 0.030 . 1 . . . . 46 ILE HG2 . 10008 1 447 . 1 1 46 46 ILE HG22 H 1 0.912 0.030 . 1 . . . . 46 ILE HG2 . 10008 1 448 . 1 1 46 46 ILE HG23 H 1 0.912 0.030 . 1 . . . . 46 ILE HG2 . 10008 1 449 . 1 1 46 46 ILE HD11 H 1 0.832 0.030 . 1 . . . . 46 ILE HD1 . 10008 1 450 . 1 1 46 46 ILE HD12 H 1 0.832 0.030 . 1 . . . . 46 ILE HD1 . 10008 1 451 . 1 1 46 46 ILE HD13 H 1 0.832 0.030 . 1 . . . . 46 ILE HD1 . 10008 1 452 . 1 1 46 46 ILE C C 13 175.382 0.300 . 1 . . . . 46 ILE C . 10008 1 453 . 1 1 46 46 ILE CA C 13 60.241 0.300 . 1 . . . . 46 ILE CA . 10008 1 454 . 1 1 46 46 ILE CB C 13 42.276 0.300 . 1 . . . . 46 ILE CB . 10008 1 455 . 1 1 46 46 ILE CG1 C 13 26.037 0.300 . 1 . . . . 46 ILE CG1 . 10008 1 456 . 1 1 46 46 ILE CG2 C 13 19.448 0.300 . 1 . . . . 46 ILE CG2 . 10008 1 457 . 1 1 46 46 ILE CD1 C 13 14.494 0.300 . 1 . . . . 46 ILE CD1 . 10008 1 458 . 1 1 46 46 ILE N N 15 119.705 0.300 . 1 . . . . 46 ILE N . 10008 1 459 . 1 1 47 47 ARG H H 1 8.153 0.030 . 1 . . . . 47 ARG H . 10008 1 460 . 1 1 47 47 ARG HA H 1 4.543 0.030 . 1 . . . . 47 ARG HA . 10008 1 461 . 1 1 47 47 ARG HB2 H 1 1.847 0.030 . 2 . . . . 47 ARG HB2 . 10008 1 462 . 1 1 47 47 ARG HB3 H 1 1.748 0.030 . 2 . . . . 47 ARG HB3 . 10008 1 463 . 1 1 47 47 ARG HG2 H 1 1.584 0.030 . 1 . . . . 47 ARG HG2 . 10008 1 464 . 1 1 47 47 ARG HG3 H 1 1.584 0.030 . 1 . . . . 47 ARG HG3 . 10008 1 465 . 1 1 47 47 ARG HD2 H 1 3.263 0.030 . 1 . . . . 47 ARG HD2 . 10008 1 466 . 1 1 47 47 ARG HD3 H 1 3.263 0.030 . 1 . . . . 47 ARG HD3 . 10008 1 467 . 1 1 47 47 ARG CA C 13 56.137 0.300 . 1 . . . . 47 ARG CA . 10008 1 468 . 1 1 47 47 ARG CB C 13 31.131 0.300 . 1 . . . . 47 ARG CB . 10008 1 469 . 1 1 47 47 ARG CG C 13 27.354 0.300 . 1 . . . . 47 ARG CG . 10008 1 470 . 1 1 47 47 ARG CD C 13 43.541 0.300 . 1 . . . . 47 ARG CD . 10008 1 471 . 1 1 47 47 ARG N N 15 120.604 0.300 . 1 . . . . 47 ARG N . 10008 1 472 . 1 1 48 48 THR H H 1 8.118 0.030 . 1 . . . . 48 THR H . 10008 1 473 . 1 1 48 48 THR HA H 1 4.637 0.030 . 1 . . . . 48 THR HA . 10008 1 474 . 1 1 48 48 THR HB H 1 4.354 0.030 . 1 . . . . 48 THR HB . 10008 1 475 . 1 1 48 48 THR HG21 H 1 1.133 0.030 . 1 . . . . 48 THR HG2 . 10008 1 476 . 1 1 48 48 THR HG22 H 1 1.133 0.030 . 1 . . . . 48 THR HG2 . 10008 1 477 . 1 1 48 48 THR HG23 H 1 1.133 0.030 . 1 . . . . 48 THR HG2 . 10008 1 478 . 1 1 48 48 THR CB C 13 70.946 0.300 . 1 . . . . 48 THR CB . 10008 1 479 . 1 1 48 48 THR CG2 C 13 21.500 0.300 . 1 . . . . 48 THR CG2 . 10008 1 480 . 1 1 48 48 THR N N 15 114.944 0.300 . 1 . . . . 48 THR N . 10008 1 481 . 1 1 49 49 ALA HA H 1 4.301 0.030 . 1 . . . . 49 ALA HA . 10008 1 482 . 1 1 49 49 ALA HB1 H 1 1.398 0.030 . 1 . . . . 49 ALA HB . 10008 1 483 . 1 1 49 49 ALA HB2 H 1 1.398 0.030 . 1 . . . . 49 ALA HB . 10008 1 484 . 1 1 49 49 ALA HB3 H 1 1.398 0.030 . 1 . . . . 49 ALA HB . 10008 1 485 . 1 1 49 49 ALA C C 13 178.053 0.300 . 1 . . . . 49 ALA C . 10008 1 486 . 1 1 49 49 ALA CA C 13 53.272 0.300 . 1 . . . . 49 ALA CA . 10008 1 487 . 1 1 49 49 ALA CB C 13 19.047 0.300 . 1 . . . . 49 ALA CB . 10008 1 488 . 1 1 50 50 GLN H H 1 8.235 0.030 . 1 . . . . 50 GLN H . 10008 1 489 . 1 1 50 50 GLN HA H 1 4.328 0.030 . 1 . . . . 50 GLN HA . 10008 1 490 . 1 1 50 50 GLN HB2 H 1 2.128 0.030 . 2 . . . . 50 GLN HB2 . 10008 1 491 . 1 1 50 50 GLN HB3 H 1 2.005 0.030 . 2 . . . . 50 GLN HB3 . 10008 1 492 . 1 1 50 50 GLN HG2 H 1 2.381 0.030 . 1 . . . . 50 GLN HG2 . 10008 1 493 . 1 1 50 50 GLN HG3 H 1 2.381 0.030 . 1 . . . . 50 GLN HG3 . 10008 1 494 . 1 1 50 50 GLN HE21 H 1 7.570 0.030 . 2 . . . . 50 GLN HE21 . 10008 1 495 . 1 1 50 50 GLN HE22 H 1 6.868 0.030 . 2 . . . . 50 GLN HE22 . 10008 1 496 . 1 1 50 50 GLN C C 13 176.135 0.300 . 1 . . . . 50 GLN C . 10008 1 497 . 1 1 50 50 GLN CA C 13 56.199 0.300 . 1 . . . . 50 GLN CA . 10008 1 498 . 1 1 50 50 GLN CB C 13 29.111 0.300 . 1 . . . . 50 GLN CB . 10008 1 499 . 1 1 50 50 GLN CG C 13 34.038 0.300 . 1 . . . . 50 GLN CG . 10008 1 500 . 1 1 50 50 GLN N N 15 117.831 0.300 . 1 . . . . 50 GLN N . 10008 1 501 . 1 1 50 50 GLN NE2 N 15 112.537 0.300 . 1 . . . . 50 GLN NE2 . 10008 1 502 . 1 1 51 51 MET H H 1 8.139 0.030 . 1 . . . . 51 MET H . 10008 1 503 . 1 1 51 51 MET HA H 1 4.397 0.030 . 1 . . . . 51 MET HA . 10008 1 504 . 1 1 51 51 MET HB2 H 1 2.125 0.030 . 2 . . . . 51 MET HB2 . 10008 1 505 . 1 1 51 51 MET HB3 H 1 2.073 0.030 . 2 . . . . 51 MET HB3 . 10008 1 506 . 1 1 51 51 MET HG2 H 1 2.589 0.030 . 2 . . . . 51 MET HG2 . 10008 1 507 . 1 1 51 51 MET HG3 H 1 2.543 0.030 . 2 . . . . 51 MET HG3 . 10008 1 508 . 1 1 51 51 MET HE1 H 1 2.016 0.030 . 1 . . . . 51 MET HE . 10008 1 509 . 1 1 51 51 MET HE2 H 1 2.016 0.030 . 1 . . . . 51 MET HE . 10008 1 510 . 1 1 51 51 MET HE3 H 1 2.016 0.030 . 1 . . . . 51 MET HE . 10008 1 511 . 1 1 51 51 MET C C 13 176.451 0.300 . 1 . . . . 51 MET C . 10008 1 512 . 1 1 51 51 MET CA C 13 55.939 0.300 . 1 . . . . 51 MET CA . 10008 1 513 . 1 1 51 51 MET CB C 13 32.889 0.300 . 1 . . . . 51 MET CB . 10008 1 514 . 1 1 51 51 MET CG C 13 32.050 0.300 . 1 . . . . 51 MET CG . 10008 1 515 . 1 1 51 51 MET CE C 13 17.124 0.300 . 1 . . . . 51 MET CE . 10008 1 516 . 1 1 51 51 MET N N 15 121.028 0.300 . 1 . . . . 51 MET N . 10008 1 517 . 1 1 52 52 GLN HA H 1 4.208 0.030 . 1 . . . . 52 GLN HA . 10008 1 518 . 1 1 52 52 GLN HB2 H 1 2.116 0.030 . 2 . . . . 52 GLN HB2 . 10008 1 519 . 1 1 52 52 GLN HB3 H 1 2.027 0.030 . 2 . . . . 52 GLN HB3 . 10008 1 520 . 1 1 52 52 GLN HG2 H 1 2.367 0.030 . 1 . . . . 52 GLN HG2 . 10008 1 521 . 1 1 52 52 GLN HG3 H 1 2.367 0.030 . 1 . . . . 52 GLN HG3 . 10008 1 522 . 1 1 52 52 GLN HE21 H 1 7.517 0.030 . 2 . . . . 52 GLN HE21 . 10008 1 523 . 1 1 52 52 GLN HE22 H 1 6.860 0.030 . 2 . . . . 52 GLN HE22 . 10008 1 524 . 1 1 52 52 GLN C C 13 175.987 0.300 . 1 . . . . 52 GLN C . 10008 1 525 . 1 1 52 52 GLN CA C 13 56.844 0.300 . 1 . . . . 52 GLN CA . 10008 1 526 . 1 1 52 52 GLN CB C 13 29.099 0.300 . 1 . . . . 52 GLN CB . 10008 1 527 . 1 1 52 52 GLN CG C 13 33.862 0.300 . 1 . . . . 52 GLN CG . 10008 1 528 . 1 1 52 52 GLN NE2 N 15 112.485 0.300 . 1 . . . . 52 GLN NE2 . 10008 1 529 . 1 1 53 53 ASP H H 1 8.288 0.030 . 1 . . . . 53 ASP H . 10008 1 530 . 1 1 53 53 ASP HA H 1 4.553 0.030 . 1 . . . . 53 ASP HA . 10008 1 531 . 1 1 53 53 ASP HB2 H 1 2.716 0.030 . 2 . . . . 53 ASP HB2 . 10008 1 532 . 1 1 53 53 ASP HB3 H 1 2.654 0.030 . 2 . . . . 53 ASP HB3 . 10008 1 533 . 1 1 53 53 ASP C C 13 175.805 0.300 . 1 . . . . 53 ASP C . 10008 1 534 . 1 1 53 53 ASP CA C 13 55.043 0.300 . 1 . . . . 53 ASP CA . 10008 1 535 . 1 1 53 53 ASP CB C 13 41.040 0.300 . 1 . . . . 53 ASP CB . 10008 1 536 . 1 1 53 53 ASP N N 15 118.798 0.300 . 1 . . . . 53 ASP N . 10008 1 537 . 1 1 54 54 ASN H H 1 7.940 0.030 . 1 . . . . 54 ASN H . 10008 1 538 . 1 1 54 54 ASN HA H 1 5.038 0.030 . 1 . . . . 54 ASN HA . 10008 1 539 . 1 1 54 54 ASN HB2 H 1 2.866 0.030 . 2 . . . . 54 ASN HB2 . 10008 1 540 . 1 1 54 54 ASN HB3 H 1 2.700 0.030 . 2 . . . . 54 ASN HB3 . 10008 1 541 . 1 1 54 54 ASN HD21 H 1 7.605 0.030 . 2 . . . . 54 ASN HD21 . 10008 1 542 . 1 1 54 54 ASN HD22 H 1 6.939 0.030 . 2 . . . . 54 ASN HD22 . 10008 1 543 . 1 1 54 54 ASN C C 13 173.207 0.300 . 1 . . . . 54 ASN C . 10008 1 544 . 1 1 54 54 ASN CA C 13 51.190 0.300 . 1 . . . . 54 ASN CA . 10008 1 545 . 1 1 54 54 ASN CB C 13 39.200 0.300 . 1 . . . . 54 ASN CB . 10008 1 546 . 1 1 54 54 ASN N N 15 116.650 0.300 . 1 . . . . 54 ASN N . 10008 1 547 . 1 1 54 54 ASN ND2 N 15 112.828 0.300 . 1 . . . . 54 ASN ND2 . 10008 1 548 . 1 1 55 55 PRO HA H 1 4.454 0.030 . 1 . . . . 55 PRO HA . 10008 1 549 . 1 1 55 55 PRO HB2 H 1 2.352 0.030 . 2 . . . . 55 PRO HB2 . 10008 1 550 . 1 1 55 55 PRO HB3 H 1 2.032 0.030 . 2 . . . . 55 PRO HB3 . 10008 1 551 . 1 1 55 55 PRO HG2 H 1 2.036 0.030 . 1 . . . . 55 PRO HG2 . 10008 1 552 . 1 1 55 55 PRO HG3 H 1 2.036 0.030 . 1 . . . . 55 PRO HG3 . 10008 1 553 . 1 1 55 55 PRO HD2 H 1 3.790 0.030 . 2 . . . . 55 PRO HD2 . 10008 1 554 . 1 1 55 55 PRO HD3 H 1 3.709 0.030 . 2 . . . . 55 PRO HD3 . 10008 1 555 . 1 1 55 55 PRO C C 13 177.100 0.300 . 1 . . . . 55 PRO C . 10008 1 556 . 1 1 55 55 PRO CA C 13 64.080 0.300 . 1 . . . . 55 PRO CA . 10008 1 557 . 1 1 55 55 PRO CB C 13 32.228 0.300 . 1 . . . . 55 PRO CB . 10008 1 558 . 1 1 55 55 PRO CG C 13 27.173 0.300 . 1 . . . . 55 PRO CG . 10008 1 559 . 1 1 55 55 PRO CD C 13 50.717 0.300 . 1 . . . . 55 PRO CD . 10008 1 560 . 1 1 56 56 SER H H 1 8.209 0.030 . 1 . . . . 56 SER H . 10008 1 561 . 1 1 56 56 SER HA H 1 4.397 0.030 . 1 . . . . 56 SER HA . 10008 1 562 . 1 1 56 56 SER HB2 H 1 3.915 0.030 . 1 . . . . 56 SER HB2 . 10008 1 563 . 1 1 56 56 SER HB3 H 1 3.915 0.030 . 1 . . . . 56 SER HB3 . 10008 1 564 . 1 1 56 56 SER C C 13 174.289 0.300 . 1 . . . . 56 SER C . 10008 1 565 . 1 1 56 56 SER CA C 13 58.995 0.300 . 1 . . . . 56 SER CA . 10008 1 566 . 1 1 56 56 SER CB C 13 63.704 0.300 . 1 . . . . 56 SER CB . 10008 1 567 . 1 1 56 56 SER N N 15 113.674 0.300 . 1 . . . . 56 SER N . 10008 1 568 . 1 1 57 57 GLN H H 1 7.702 0.030 . 1 . . . . 57 GLN H . 10008 1 569 . 1 1 57 57 GLN HA H 1 4.377 0.030 . 1 . . . . 57 GLN HA . 10008 1 570 . 1 1 57 57 GLN HB2 H 1 2.081 0.030 . 2 . . . . 57 GLN HB2 . 10008 1 571 . 1 1 57 57 GLN HB3 H 1 1.929 0.030 . 2 . . . . 57 GLN HB3 . 10008 1 572 . 1 1 57 57 GLN HG2 H 1 2.277 0.030 . 1 . . . . 57 GLN HG2 . 10008 1 573 . 1 1 57 57 GLN HG3 H 1 2.277 0.030 . 1 . . . . 57 GLN HG3 . 10008 1 574 . 1 1 57 57 GLN HE21 H 1 7.503 0.030 . 2 . . . . 57 GLN HE21 . 10008 1 575 . 1 1 57 57 GLN HE22 H 1 6.860 0.030 . 2 . . . . 57 GLN HE22 . 10008 1 576 . 1 1 57 57 GLN C C 13 174.586 0.300 . 1 . . . . 57 GLN C . 10008 1 577 . 1 1 57 57 GLN CA C 13 55.173 0.300 . 1 . . . . 57 GLN CA . 10008 1 578 . 1 1 57 57 GLN CB C 13 29.856 0.300 . 1 . . . . 57 GLN CB . 10008 1 579 . 1 1 57 57 GLN CG C 13 33.706 0.300 . 1 . . . . 57 GLN CG . 10008 1 580 . 1 1 57 57 GLN N N 15 121.841 0.300 . 1 . . . . 57 GLN N . 10008 1 581 . 1 1 57 57 GLN NE2 N 15 112.385 0.300 . 1 . . . . 57 GLN NE2 . 10008 1 582 . 1 1 58 58 LEU H H 1 8.075 0.030 . 1 . . . . 58 LEU H . 10008 1 583 . 1 1 58 58 LEU HA H 1 4.147 0.030 . 1 . . . . 58 LEU HA . 10008 1 584 . 1 1 58 58 LEU HB2 H 1 1.498 0.030 . 2 . . . . 58 LEU HB2 . 10008 1 585 . 1 1 58 58 LEU HB3 H 1 0.743 0.030 . 2 . . . . 58 LEU HB3 . 10008 1 586 . 1 1 58 58 LEU HG H 1 1.497 0.030 . 1 . . . . 58 LEU HG . 10008 1 587 . 1 1 58 58 LEU HD11 H 1 0.432 0.030 . 1 . . . . 58 LEU HD1 . 10008 1 588 . 1 1 58 58 LEU HD12 H 1 0.432 0.030 . 1 . . . . 58 LEU HD1 . 10008 1 589 . 1 1 58 58 LEU HD13 H 1 0.432 0.030 . 1 . . . . 58 LEU HD1 . 10008 1 590 . 1 1 58 58 LEU HD21 H 1 0.736 0.030 . 1 . . . . 58 LEU HD2 . 10008 1 591 . 1 1 58 58 LEU HD22 H 1 0.736 0.030 . 1 . . . . 58 LEU HD2 . 10008 1 592 . 1 1 58 58 LEU HD23 H 1 0.736 0.030 . 1 . . . . 58 LEU HD2 . 10008 1 593 . 1 1 58 58 LEU C C 13 176.139 0.300 . 1 . . . . 58 LEU C . 10008 1 594 . 1 1 58 58 LEU CA C 13 54.563 0.300 . 1 . . . . 58 LEU CA . 10008 1 595 . 1 1 58 58 LEU CB C 13 42.791 0.300 . 1 . . . . 58 LEU CB . 10008 1 596 . 1 1 58 58 LEU CG C 13 26.908 0.300 . 1 . . . . 58 LEU CG . 10008 1 597 . 1 1 58 58 LEU CD1 C 13 22.753 0.300 . 2 . . . . 58 LEU CD1 . 10008 1 598 . 1 1 58 58 LEU CD2 C 13 25.576 0.300 . 2 . . . . 58 LEU CD2 . 10008 1 599 . 1 1 58 58 LEU N N 15 123.679 0.300 . 1 . . . . 58 LEU N . 10008 1 600 . 1 1 59 59 VAL H H 1 9.001 0.030 . 1 . . . . 59 VAL H . 10008 1 601 . 1 1 59 59 VAL HA H 1 4.059 0.030 . 1 . . . . 59 VAL HA . 10008 1 602 . 1 1 59 59 VAL HB H 1 1.826 0.030 . 1 . . . . 59 VAL HB . 10008 1 603 . 1 1 59 59 VAL HG11 H 1 0.835 0.030 . 1 . . . . 59 VAL HG1 . 10008 1 604 . 1 1 59 59 VAL HG12 H 1 0.835 0.030 . 1 . . . . 59 VAL HG1 . 10008 1 605 . 1 1 59 59 VAL HG13 H 1 0.835 0.030 . 1 . . . . 59 VAL HG1 . 10008 1 606 . 1 1 59 59 VAL C C 13 174.265 0.300 . 1 . . . . 59 VAL C . 10008 1 607 . 1 1 59 59 VAL CA C 13 61.836 0.300 . 1 . . . . 59 VAL CA . 10008 1 608 . 1 1 59 59 VAL CB C 13 33.387 0.300 . 1 . . . . 59 VAL CB . 10008 1 609 . 1 1 59 59 VAL CG1 C 13 21.132 0.300 . 2 . . . . 59 VAL CG1 . 10008 1 610 . 1 1 59 59 VAL N N 15 124.703 0.300 . 1 . . . . 59 VAL N . 10008 1 611 . 1 1 60 60 PHE H H 1 8.745 0.030 . 1 . . . . 60 PHE H . 10008 1 612 . 1 1 60 60 PHE HA H 1 4.973 0.030 . 1 . . . . 60 PHE HA . 10008 1 613 . 1 1 60 60 PHE HB2 H 1 2.715 0.030 . 1 . . . . 60 PHE HB2 . 10008 1 614 . 1 1 60 60 PHE HB3 H 1 2.715 0.030 . 1 . . . . 60 PHE HB3 . 10008 1 615 . 1 1 60 60 PHE HD1 H 1 6.891 0.030 . 1 . . . . 60 PHE HD1 . 10008 1 616 . 1 1 60 60 PHE HD2 H 1 6.891 0.030 . 1 . . . . 60 PHE HD2 . 10008 1 617 . 1 1 60 60 PHE HE1 H 1 7.026 0.030 . 1 . . . . 60 PHE HE1 . 10008 1 618 . 1 1 60 60 PHE HE2 H 1 7.026 0.030 . 1 . . . . 60 PHE HE2 . 10008 1 619 . 1 1 60 60 PHE HZ H 1 6.972 0.030 . 1 . . . . 60 PHE HZ . 10008 1 620 . 1 1 60 60 PHE C C 13 175.664 0.300 . 1 . . . . 60 PHE C . 10008 1 621 . 1 1 60 60 PHE CA C 13 58.016 0.300 . 1 . . . . 60 PHE CA . 10008 1 622 . 1 1 60 60 PHE CB C 13 41.644 0.300 . 1 . . . . 60 PHE CB . 10008 1 623 . 1 1 60 60 PHE CD1 C 13 131.430 0.300 . 1 . . . . 60 PHE CD1 . 10008 1 624 . 1 1 60 60 PHE CD2 C 13 131.430 0.300 . 1 . . . . 60 PHE CD2 . 10008 1 625 . 1 1 60 60 PHE CE1 C 13 131.442 0.300 . 1 . . . . 60 PHE CE1 . 10008 1 626 . 1 1 60 60 PHE CE2 C 13 131.442 0.300 . 1 . . . . 60 PHE CE2 . 10008 1 627 . 1 1 60 60 PHE CZ C 13 129.213 0.300 . 1 . . . . 60 PHE CZ . 10008 1 628 . 1 1 60 60 PHE N N 15 123.151 0.300 . 1 . . . . 60 PHE N . 10008 1 629 . 1 1 61 61 MET H H 1 9.195 0.030 . 1 . . . . 61 MET H . 10008 1 630 . 1 1 61 61 MET HA H 1 4.943 0.030 . 1 . . . . 61 MET HA . 10008 1 631 . 1 1 61 61 MET HB2 H 1 2.112 0.030 . 2 . . . . 61 MET HB2 . 10008 1 632 . 1 1 61 61 MET HB3 H 1 2.078 0.030 . 2 . . . . 61 MET HB3 . 10008 1 633 . 1 1 61 61 MET HG2 H 1 2.597 0.030 . 2 . . . . 61 MET HG2 . 10008 1 634 . 1 1 61 61 MET HG3 H 1 2.496 0.030 . 2 . . . . 61 MET HG3 . 10008 1 635 . 1 1 61 61 MET HE1 H 1 2.146 0.030 . 1 . . . . 61 MET HE . 10008 1 636 . 1 1 61 61 MET HE2 H 1 2.146 0.030 . 1 . . . . 61 MET HE . 10008 1 637 . 1 1 61 61 MET HE3 H 1 2.146 0.030 . 1 . . . . 61 MET HE . 10008 1 638 . 1 1 61 61 MET C C 13 175.158 0.300 . 1 . . . . 61 MET C . 10008 1 639 . 1 1 61 61 MET CA C 13 53.753 0.300 . 1 . . . . 61 MET CA . 10008 1 640 . 1 1 61 61 MET CB C 13 36.522 0.300 . 1 . . . . 61 MET CB . 10008 1 641 . 1 1 61 61 MET CG C 13 31.603 0.300 . 1 . . . . 61 MET CG . 10008 1 642 . 1 1 61 61 MET CE C 13 17.382 0.300 . 1 . . . . 61 MET CE . 10008 1 643 . 1 1 61 61 MET N N 15 122.680 0.300 . 1 . . . . 61 MET N . 10008 1 644 . 1 1 62 62 ARG H H 1 9.409 0.030 . 1 . . . . 62 ARG H . 10008 1 645 . 1 1 62 62 ARG HA H 1 4.061 0.030 . 1 . . . . 62 ARG HA . 10008 1 646 . 1 1 62 62 ARG HB2 H 1 2.030 0.030 . 2 . . . . 62 ARG HB2 . 10008 1 647 . 1 1 62 62 ARG HB3 H 1 1.509 0.030 . 2 . . . . 62 ARG HB3 . 10008 1 648 . 1 1 62 62 ARG HG2 H 1 1.331 0.030 . 2 . . . . 62 ARG HG2 . 10008 1 649 . 1 1 62 62 ARG HG3 H 1 1.031 0.030 . 2 . . . . 62 ARG HG3 . 10008 1 650 . 1 1 62 62 ARG HD2 H 1 3.151 0.030 . 2 . . . . 62 ARG HD2 . 10008 1 651 . 1 1 62 62 ARG HD3 H 1 2.874 0.030 . 2 . . . . 62 ARG HD3 . 10008 1 652 . 1 1 62 62 ARG C C 13 176.250 0.300 . 1 . . . . 62 ARG C . 10008 1 653 . 1 1 62 62 ARG CA C 13 58.137 0.300 . 1 . . . . 62 ARG CA . 10008 1 654 . 1 1 62 62 ARG CB C 13 30.930 0.300 . 1 . . . . 62 ARG CB . 10008 1 655 . 1 1 62 62 ARG CG C 13 27.397 0.300 . 1 . . . . 62 ARG CG . 10008 1 656 . 1 1 62 62 ARG CD C 13 44.340 0.300 . 1 . . . . 62 ARG CD . 10008 1 657 . 1 1 62 62 ARG N N 15 129.285 0.300 . 1 . . . . 62 ARG N . 10008 1 658 . 1 1 63 63 ILE H H 1 9.020 0.030 . 1 . . . . 63 ILE H . 10008 1 659 . 1 1 63 63 ILE HA H 1 4.673 0.030 . 1 . . . . 63 ILE HA . 10008 1 660 . 1 1 63 63 ILE HB H 1 2.301 0.030 . 1 . . . . 63 ILE HB . 10008 1 661 . 1 1 63 63 ILE HG12 H 1 1.371 0.030 . 2 . . . . 63 ILE HG12 . 10008 1 662 . 1 1 63 63 ILE HG13 H 1 1.067 0.030 . 2 . . . . 63 ILE HG13 . 10008 1 663 . 1 1 63 63 ILE HG21 H 1 1.030 0.030 . 1 . . . . 63 ILE HG2 . 10008 1 664 . 1 1 63 63 ILE HG22 H 1 1.030 0.030 . 1 . . . . 63 ILE HG2 . 10008 1 665 . 1 1 63 63 ILE HG23 H 1 1.030 0.030 . 1 . . . . 63 ILE HG2 . 10008 1 666 . 1 1 63 63 ILE HD11 H 1 0.941 0.030 . 1 . . . . 63 ILE HD1 . 10008 1 667 . 1 1 63 63 ILE HD12 H 1 0.941 0.030 . 1 . . . . 63 ILE HD1 . 10008 1 668 . 1 1 63 63 ILE HD13 H 1 0.941 0.030 . 1 . . . . 63 ILE HD1 . 10008 1 669 . 1 1 63 63 ILE C C 13 175.239 0.300 . 1 . . . . 63 ILE C . 10008 1 670 . 1 1 63 63 ILE CA C 13 60.622 0.300 . 1 . . . . 63 ILE CA . 10008 1 671 . 1 1 63 63 ILE CB C 13 39.841 0.300 . 1 . . . . 63 ILE CB . 10008 1 672 . 1 1 63 63 ILE CG1 C 13 27.114 0.300 . 1 . . . . 63 ILE CG1 . 10008 1 673 . 1 1 63 63 ILE CG2 C 13 20.281 0.300 . 1 . . . . 63 ILE CG2 . 10008 1 674 . 1 1 63 63 ILE CD1 C 13 15.661 0.300 . 1 . . . . 63 ILE CD1 . 10008 1 675 . 1 1 63 63 ILE N N 15 120.346 0.300 . 1 . . . . 63 ILE N . 10008 1 676 . 1 1 64 64 TYR H H 1 7.600 0.030 . 1 . . . . 64 TYR H . 10008 1 677 . 1 1 64 64 TYR HA H 1 4.789 0.030 . 1 . . . . 64 TYR HA . 10008 1 678 . 1 1 64 64 TYR HB2 H 1 3.664 0.030 . 2 . . . . 64 TYR HB2 . 10008 1 679 . 1 1 64 64 TYR HB3 H 1 2.423 0.030 . 2 . . . . 64 TYR HB3 . 10008 1 680 . 1 1 64 64 TYR HE1 H 1 7.021 0.030 . 1 . . . . 64 TYR HE1 . 10008 1 681 . 1 1 64 64 TYR HE2 H 1 7.021 0.030 . 1 . . . . 64 TYR HE2 . 10008 1 682 . 1 1 64 64 TYR C C 13 172.907 0.300 . 1 . . . . 64 TYR C . 10008 1 683 . 1 1 64 64 TYR CA C 13 58.542 0.300 . 1 . . . . 64 TYR CA . 10008 1 684 . 1 1 64 64 TYR CB C 13 43.032 0.300 . 1 . . . . 64 TYR CB . 10008 1 685 . 1 1 64 64 TYR CE1 C 13 118.993 0.300 . 1 . . . . 64 TYR CE1 . 10008 1 686 . 1 1 64 64 TYR CE2 C 13 118.993 0.300 . 1 . . . . 64 TYR CE2 . 10008 1 687 . 1 1 64 64 TYR N N 15 122.165 0.300 . 1 . . . . 64 TYR N . 10008 1 688 . 1 1 65 65 CYS H H 1 7.518 0.030 . 1 . . . . 65 CYS H . 10008 1 689 . 1 1 65 65 CYS HA H 1 5.093 0.030 . 1 . . . . 65 CYS HA . 10008 1 690 . 1 1 65 65 CYS HB2 H 1 2.443 0.030 . 1 . . . . 65 CYS HB2 . 10008 1 691 . 1 1 65 65 CYS HB3 H 1 2.443 0.030 . 1 . . . . 65 CYS HB3 . 10008 1 692 . 1 1 65 65 CYS C C 13 173.403 0.300 . 1 . . . . 65 CYS C . 10008 1 693 . 1 1 65 65 CYS CA C 13 57.166 0.300 . 1 . . . . 65 CYS CA . 10008 1 694 . 1 1 65 65 CYS CB C 13 28.354 0.300 . 1 . . . . 65 CYS CB . 10008 1 695 . 1 1 65 65 CYS N N 15 128.526 0.300 . 1 . . . . 65 CYS N . 10008 1 696 . 1 1 66 66 GLY H H 1 8.686 0.030 . 1 . . . . 66 GLY H . 10008 1 697 . 1 1 66 66 GLY HA2 H 1 4.301 0.030 . 2 . . . . 66 GLY HA2 . 10008 1 698 . 1 1 66 66 GLY HA3 H 1 4.262 0.030 . 2 . . . . 66 GLY HA3 . 10008 1 699 . 1 1 66 66 GLY C C 13 172.287 0.300 . 1 . . . . 66 GLY C . 10008 1 700 . 1 1 66 66 GLY CA C 13 45.993 0.300 . 1 . . . . 66 GLY CA . 10008 1 701 . 1 1 66 66 GLY N N 15 116.392 0.300 . 1 . . . . 66 GLY N . 10008 1 702 . 1 1 67 67 LEU H H 1 8.704 0.030 . 1 . . . . 67 LEU H . 10008 1 703 . 1 1 67 67 LEU HA H 1 4.683 0.030 . 1 . . . . 67 LEU HA . 10008 1 704 . 1 1 67 67 LEU HB2 H 1 1.865 0.030 . 2 . . . . 67 LEU HB2 . 10008 1 705 . 1 1 67 67 LEU HB3 H 1 1.705 0.030 . 2 . . . . 67 LEU HB3 . 10008 1 706 . 1 1 67 67 LEU HG H 1 1.812 0.030 . 1 . . . . 67 LEU HG . 10008 1 707 . 1 1 67 67 LEU HD11 H 1 0.950 0.030 . 1 . . . . 67 LEU HD1 . 10008 1 708 . 1 1 67 67 LEU HD12 H 1 0.950 0.030 . 1 . . . . 67 LEU HD1 . 10008 1 709 . 1 1 67 67 LEU HD13 H 1 0.950 0.030 . 1 . . . . 67 LEU HD1 . 10008 1 710 . 1 1 67 67 LEU HD21 H 1 0.964 0.030 . 1 . . . . 67 LEU HD2 . 10008 1 711 . 1 1 67 67 LEU HD22 H 1 0.964 0.030 . 1 . . . . 67 LEU HD2 . 10008 1 712 . 1 1 67 67 LEU HD23 H 1 0.964 0.030 . 1 . . . . 67 LEU HD2 . 10008 1 713 . 1 1 67 67 LEU C C 13 177.870 0.300 . 1 . . . . 67 LEU C . 10008 1 714 . 1 1 67 67 LEU CA C 13 55.872 0.300 . 1 . . . . 67 LEU CA . 10008 1 715 . 1 1 67 67 LEU CB C 13 44.096 0.300 . 1 . . . . 67 LEU CB . 10008 1 716 . 1 1 67 67 LEU CG C 13 27.766 0.300 . 1 . . . . 67 LEU CG . 10008 1 717 . 1 1 67 67 LEU CD1 C 13 24.851 0.300 . 1 . . . . 67 LEU CD1 . 10008 1 718 . 1 1 67 67 LEU CD2 C 13 24.129 0.300 . 1 . . . . 67 LEU CD2 . 10008 1 719 . 1 1 67 67 LEU N N 15 120.082 0.300 . 1 . . . . 67 LEU N . 10008 1 720 . 1 1 68 68 LYS H H 1 7.789 0.030 . 1 . . . . 68 LYS H . 10008 1 721 . 1 1 68 68 LYS HA H 1 4.396 0.030 . 1 . . . . 68 LYS HA . 10008 1 722 . 1 1 68 68 LYS HB2 H 1 2.045 0.030 . 2 . . . . 68 LYS HB2 . 10008 1 723 . 1 1 68 68 LYS HB3 H 1 1.883 0.030 . 2 . . . . 68 LYS HB3 . 10008 1 724 . 1 1 68 68 LYS HG2 H 1 1.654 0.030 . 2 . . . . 68 LYS HG2 . 10008 1 725 . 1 1 68 68 LYS HG3 H 1 1.513 0.030 . 2 . . . . 68 LYS HG3 . 10008 1 726 . 1 1 68 68 LYS HD2 H 1 1.717 0.030 . 1 . . . . 68 LYS HD2 . 10008 1 727 . 1 1 68 68 LYS HD3 H 1 1.717 0.030 . 1 . . . . 68 LYS HD3 . 10008 1 728 . 1 1 68 68 LYS HE2 H 1 3.004 0.030 . 1 . . . . 68 LYS HE2 . 10008 1 729 . 1 1 68 68 LYS HE3 H 1 3.004 0.030 . 1 . . . . 68 LYS HE3 . 10008 1 730 . 1 1 68 68 LYS C C 13 177.418 0.300 . 1 . . . . 68 LYS C . 10008 1 731 . 1 1 68 68 LYS CA C 13 56.687 0.300 . 1 . . . . 68 LYS CA . 10008 1 732 . 1 1 68 68 LYS CB C 13 33.032 0.300 . 1 . . . . 68 LYS CB . 10008 1 733 . 1 1 68 68 LYS CG C 13 25.579 0.300 . 1 . . . . 68 LYS CG . 10008 1 734 . 1 1 68 68 LYS CD C 13 29.181 0.300 . 1 . . . . 68 LYS CD . 10008 1 735 . 1 1 68 68 LYS CE C 13 42.133 0.300 . 1 . . . . 68 LYS CE . 10008 1 736 . 1 1 68 68 LYS N N 15 118.026 0.300 . 1 . . . . 68 LYS N . 10008 1 737 . 1 1 69 69 THR H H 1 7.633 0.030 . 1 . . . . 69 THR H . 10008 1 738 . 1 1 69 69 THR HA H 1 3.170 0.030 . 1 . . . . 69 THR HA . 10008 1 739 . 1 1 69 69 THR HB H 1 3.767 0.030 . 1 . . . . 69 THR HB . 10008 1 740 . 1 1 69 69 THR HG21 H 1 0.797 0.030 . 1 . . . . 69 THR HG2 . 10008 1 741 . 1 1 69 69 THR HG22 H 1 0.797 0.030 . 1 . . . . 69 THR HG2 . 10008 1 742 . 1 1 69 69 THR HG23 H 1 0.797 0.030 . 1 . . . . 69 THR HG2 . 10008 1 743 . 1 1 69 69 THR C C 13 171.400 0.300 . 1 . . . . 69 THR C . 10008 1 744 . 1 1 69 69 THR CA C 13 59.267 0.300 . 1 . . . . 69 THR CA . 10008 1 745 . 1 1 69 69 THR CB C 13 66.035 0.300 . 1 . . . . 69 THR CB . 10008 1 746 . 1 1 69 69 THR CG2 C 13 21.137 0.300 . 1 . . . . 69 THR CG2 . 10008 1 747 . 1 1 69 69 THR N N 15 110.864 0.300 . 1 . . . . 69 THR N . 10008 1 748 . 1 1 70 70 SER H H 1 6.233 0.030 . 1 . . . . 70 SER H . 10008 1 749 . 1 1 70 70 SER HA H 1 4.047 0.030 . 1 . . . . 70 SER HA . 10008 1 750 . 1 1 70 70 SER HB2 H 1 3.418 0.030 . 2 . . . . 70 SER HB2 . 10008 1 751 . 1 1 70 70 SER HB3 H 1 3.357 0.030 . 2 . . . . 70 SER HB3 . 10008 1 752 . 1 1 70 70 SER C C 13 172.190 0.300 . 1 . . . . 70 SER C . 10008 1 753 . 1 1 70 70 SER CA C 13 56.654 0.300 . 1 . . . . 70 SER CA . 10008 1 754 . 1 1 70 70 SER CB C 13 65.214 0.300 . 1 . . . . 70 SER CB . 10008 1 755 . 1 1 70 70 SER N N 15 109.532 0.300 . 1 . . . . 70 SER N . 10008 1 756 . 1 1 71 71 CYS H H 1 8.513 0.030 . 1 . . . . 71 CYS H . 10008 1 757 . 1 1 71 71 CYS HA H 1 4.487 0.030 . 1 . . . . 71 CYS HA . 10008 1 758 . 1 1 71 71 CYS HB2 H 1 2.788 0.030 . 2 . . . . 71 CYS HB2 . 10008 1 759 . 1 1 71 71 CYS HB3 H 1 1.852 0.030 . 2 . . . . 71 CYS HB3 . 10008 1 760 . 1 1 71 71 CYS HG H 1 0.817 0.030 . 1 . . . . 71 CYS HG . 10008 1 761 . 1 1 71 71 CYS C C 13 171.609 0.300 . 1 . . . . 71 CYS C . 10008 1 762 . 1 1 71 71 CYS CA C 13 56.238 0.300 . 1 . . . . 71 CYS CA . 10008 1 763 . 1 1 71 71 CYS CB C 13 30.382 0.300 . 1 . . . . 71 CYS CB . 10008 1 764 . 1 1 71 71 CYS N N 15 110.990 0.300 . 1 . . . . 71 CYS N . 10008 1 765 . 1 1 72 72 THR H H 1 8.256 0.030 . 1 . . . . 72 THR H . 10008 1 766 . 1 1 72 72 THR HA H 1 4.983 0.030 . 1 . . . . 72 THR HA . 10008 1 767 . 1 1 72 72 THR HB H 1 3.924 0.030 . 1 . . . . 72 THR HB . 10008 1 768 . 1 1 72 72 THR HG21 H 1 0.991 0.030 . 1 . . . . 72 THR HG2 . 10008 1 769 . 1 1 72 72 THR HG22 H 1 0.991 0.030 . 1 . . . . 72 THR HG2 . 10008 1 770 . 1 1 72 72 THR HG23 H 1 0.991 0.030 . 1 . . . . 72 THR HG2 . 10008 1 771 . 1 1 72 72 THR C C 13 173.551 0.300 . 1 . . . . 72 THR C . 10008 1 772 . 1 1 72 72 THR CA C 13 61.439 0.300 . 1 . . . . 72 THR CA . 10008 1 773 . 1 1 72 72 THR CB C 13 70.829 0.300 . 1 . . . . 72 THR CB . 10008 1 774 . 1 1 72 72 THR CG2 C 13 21.819 0.300 . 1 . . . . 72 THR CG2 . 10008 1 775 . 1 1 72 72 THR N N 15 116.048 0.300 . 1 . . . . 72 THR N . 10008 1 776 . 1 1 73 73 VAL H H 1 9.028 0.030 . 1 . . . . 73 VAL H . 10008 1 777 . 1 1 73 73 VAL HA H 1 4.554 0.030 . 1 . . . . 73 VAL HA . 10008 1 778 . 1 1 73 73 VAL HB H 1 2.036 0.030 . 1 . . . . 73 VAL HB . 10008 1 779 . 1 1 73 73 VAL HG11 H 1 1.162 0.030 . 1 . . . . 73 VAL HG1 . 10008 1 780 . 1 1 73 73 VAL HG12 H 1 1.162 0.030 . 1 . . . . 73 VAL HG1 . 10008 1 781 . 1 1 73 73 VAL HG13 H 1 1.162 0.030 . 1 . . . . 73 VAL HG1 . 10008 1 782 . 1 1 73 73 VAL HG21 H 1 0.822 0.030 . 1 . . . . 73 VAL HG2 . 10008 1 783 . 1 1 73 73 VAL HG22 H 1 0.822 0.030 . 1 . . . . 73 VAL HG2 . 10008 1 784 . 1 1 73 73 VAL HG23 H 1 0.822 0.030 . 1 . . . . 73 VAL HG2 . 10008 1 785 . 1 1 73 73 VAL C C 13 175.927 0.300 . 1 . . . . 73 VAL C . 10008 1 786 . 1 1 73 73 VAL CA C 13 61.162 0.300 . 1 . . . . 73 VAL CA . 10008 1 787 . 1 1 73 73 VAL CB C 13 32.890 0.300 . 1 . . . . 73 VAL CB . 10008 1 788 . 1 1 73 73 VAL CG1 C 13 21.915 0.300 . 1 . . . . 73 VAL CG1 . 10008 1 789 . 1 1 73 73 VAL CG2 C 13 21.500 0.300 . 1 . . . . 73 VAL CG2 . 10008 1 790 . 1 1 73 73 VAL N N 15 127.620 0.300 . 1 . . . . 73 VAL N . 10008 1 791 . 1 1 74 74 THR H H 1 8.788 0.030 . 1 . . . . 74 THR H . 10008 1 792 . 1 1 74 74 THR HA H 1 4.531 0.030 . 1 . . . . 74 THR HA . 10008 1 793 . 1 1 74 74 THR HB H 1 4.788 0.030 . 1 . . . . 74 THR HB . 10008 1 794 . 1 1 74 74 THR HG21 H 1 1.350 0.030 . 1 . . . . 74 THR HG2 . 10008 1 795 . 1 1 74 74 THR HG22 H 1 1.350 0.030 . 1 . . . . 74 THR HG2 . 10008 1 796 . 1 1 74 74 THR HG23 H 1 1.350 0.030 . 1 . . . . 74 THR HG2 . 10008 1 797 . 1 1 74 74 THR C C 13 175.856 0.300 . 1 . . . . 74 THR C . 10008 1 798 . 1 1 74 74 THR CA C 13 61.425 0.300 . 1 . . . . 74 THR CA . 10008 1 799 . 1 1 74 74 THR CB C 13 71.274 0.300 . 1 . . . . 74 THR CB . 10008 1 800 . 1 1 74 74 THR CG2 C 13 22.130 0.300 . 1 . . . . 74 THR CG2 . 10008 1 801 . 1 1 74 74 THR N N 15 117.497 0.300 . 1 . . . . 74 THR N . 10008 1 802 . 1 1 75 75 ALA H H 1 8.848 0.030 . 1 . . . . 75 ALA H . 10008 1 803 . 1 1 75 75 ALA HA H 1 4.133 0.030 . 1 . . . . 75 ALA HA . 10008 1 804 . 1 1 75 75 ALA HB1 H 1 1.520 0.030 . 1 . . . . 75 ALA HB . 10008 1 805 . 1 1 75 75 ALA HB2 H 1 1.520 0.030 . 1 . . . . 75 ALA HB . 10008 1 806 . 1 1 75 75 ALA HB3 H 1 1.520 0.030 . 1 . . . . 75 ALA HB . 10008 1 807 . 1 1 75 75 ALA C C 13 181.153 0.300 . 1 . . . . 75 ALA C . 10008 1 808 . 1 1 75 75 ALA CA C 13 55.521 0.300 . 1 . . . . 75 ALA CA . 10008 1 809 . 1 1 75 75 ALA CB C 13 18.212 0.300 . 1 . . . . 75 ALA CB . 10008 1 810 . 1 1 75 75 ALA N N 15 122.595 0.300 . 1 . . . . 75 ALA N . 10008 1 811 . 1 1 76 76 GLY H H 1 8.726 0.030 . 1 . . . . 76 GLY H . 10008 1 812 . 1 1 76 76 GLY HA2 H 1 3.889 0.030 . 1 . . . . 76 GLY HA2 . 10008 1 813 . 1 1 76 76 GLY HA3 H 1 3.889 0.030 . 1 . . . . 76 GLY HA3 . 10008 1 814 . 1 1 76 76 GLY C C 13 176.736 0.300 . 1 . . . . 76 GLY C . 10008 1 815 . 1 1 76 76 GLY CA C 13 46.775 0.300 . 1 . . . . 76 GLY CA . 10008 1 816 . 1 1 76 76 GLY N N 15 105.905 0.300 . 1 . . . . 76 GLY N . 10008 1 817 . 1 1 77 77 GLN H H 1 7.724 0.030 . 1 . . . . 77 GLN H . 10008 1 818 . 1 1 77 77 GLN HA H 1 4.168 0.030 . 1 . . . . 77 GLN HA . 10008 1 819 . 1 1 77 77 GLN HB2 H 1 2.578 0.030 . 2 . . . . 77 GLN HB2 . 10008 1 820 . 1 1 77 77 GLN HB3 H 1 1.740 0.030 . 2 . . . . 77 GLN HB3 . 10008 1 821 . 1 1 77 77 GLN HG2 H 1 2.516 0.030 . 2 . . . . 77 GLN HG2 . 10008 1 822 . 1 1 77 77 GLN HG3 H 1 2.427 0.030 . 2 . . . . 77 GLN HG3 . 10008 1 823 . 1 1 77 77 GLN HE21 H 1 7.632 0.030 . 2 . . . . 77 GLN HE21 . 10008 1 824 . 1 1 77 77 GLN HE22 H 1 6.969 0.030 . 2 . . . . 77 GLN HE22 . 10008 1 825 . 1 1 77 77 GLN C C 13 178.784 0.300 . 1 . . . . 77 GLN C . 10008 1 826 . 1 1 77 77 GLN CA C 13 58.541 0.300 . 1 . . . . 77 GLN CA . 10008 1 827 . 1 1 77 77 GLN CB C 13 29.192 0.300 . 1 . . . . 77 GLN CB . 10008 1 828 . 1 1 77 77 GLN CG C 13 34.939 0.300 . 1 . . . . 77 GLN CG . 10008 1 829 . 1 1 77 77 GLN N N 15 121.239 0.300 . 1 . . . . 77 GLN N . 10008 1 830 . 1 1 77 77 GLN NE2 N 15 110.316 0.300 . 1 . . . . 77 GLN NE2 . 10008 1 831 . 1 1 78 78 LEU H H 1 8.222 0.030 . 1 . . . . 78 LEU H . 10008 1 832 . 1 1 78 78 LEU HA H 1 4.012 0.030 . 1 . . . . 78 LEU HA . 10008 1 833 . 1 1 78 78 LEU HB2 H 1 1.941 0.030 . 2 . . . . 78 LEU HB2 . 10008 1 834 . 1 1 78 78 LEU HB3 H 1 1.659 0.030 . 2 . . . . 78 LEU HB3 . 10008 1 835 . 1 1 78 78 LEU HG H 1 1.903 0.030 . 1 . . . . 78 LEU HG . 10008 1 836 . 1 1 78 78 LEU HD11 H 1 0.996 0.030 . 1 . . . . 78 LEU HD1 . 10008 1 837 . 1 1 78 78 LEU HD12 H 1 0.996 0.030 . 1 . . . . 78 LEU HD1 . 10008 1 838 . 1 1 78 78 LEU HD13 H 1 0.996 0.030 . 1 . . . . 78 LEU HD1 . 10008 1 839 . 1 1 78 78 LEU HD21 H 1 1.043 0.030 . 1 . . . . 78 LEU HD2 . 10008 1 840 . 1 1 78 78 LEU HD22 H 1 1.043 0.030 . 1 . . . . 78 LEU HD2 . 10008 1 841 . 1 1 78 78 LEU HD23 H 1 1.043 0.030 . 1 . . . . 78 LEU HD2 . 10008 1 842 . 1 1 78 78 LEU C C 13 179.222 0.300 . 1 . . . . 78 LEU C . 10008 1 843 . 1 1 78 78 LEU CA C 13 56.910 0.300 . 1 . . . . 78 LEU CA . 10008 1 844 . 1 1 78 78 LEU CB C 13 41.861 0.300 . 1 . . . . 78 LEU CB . 10008 1 845 . 1 1 78 78 LEU CG C 13 26.801 0.300 . 1 . . . . 78 LEU CG . 10008 1 846 . 1 1 78 78 LEU CD1 C 13 25.523 0.300 . 1 . . . . 78 LEU CD1 . 10008 1 847 . 1 1 78 78 LEU CD2 C 13 24.000 0.300 . 1 . . . . 78 LEU CD2 . 10008 1 848 . 1 1 78 78 LEU N N 15 117.734 0.300 . 1 . . . . 78 LEU N . 10008 1 849 . 1 1 79 79 ALA H H 1 7.755 0.030 . 1 . . . . 79 ALA H . 10008 1 850 . 1 1 79 79 ALA HA H 1 4.201 0.030 . 1 . . . . 79 ALA HA . 10008 1 851 . 1 1 79 79 ALA HB1 H 1 1.534 0.030 . 1 . . . . 79 ALA HB . 10008 1 852 . 1 1 79 79 ALA HB2 H 1 1.534 0.030 . 1 . . . . 79 ALA HB . 10008 1 853 . 1 1 79 79 ALA HB3 H 1 1.534 0.030 . 1 . . . . 79 ALA HB . 10008 1 854 . 1 1 79 79 ALA C C 13 178.481 0.300 . 1 . . . . 79 ALA C . 10008 1 855 . 1 1 79 79 ALA CA C 13 54.722 0.300 . 1 . . . . 79 ALA CA . 10008 1 856 . 1 1 79 79 ALA CB C 13 18.280 0.300 . 1 . . . . 79 ALA CB . 10008 1 857 . 1 1 79 79 ALA N N 15 121.649 0.300 . 1 . . . . 79 ALA N . 10008 1 858 . 1 1 80 80 ASN H H 1 7.575 0.030 . 1 . . . . 80 ASN H . 10008 1 859 . 1 1 80 80 ASN HA H 1 4.964 0.030 . 1 . . . . 80 ASN HA . 10008 1 860 . 1 1 80 80 ASN HB2 H 1 3.090 0.030 . 2 . . . . 80 ASN HB2 . 10008 1 861 . 1 1 80 80 ASN HB3 H 1 2.690 0.030 . 2 . . . . 80 ASN HB3 . 10008 1 862 . 1 1 80 80 ASN HD21 H 1 7.492 0.030 . 2 . . . . 80 ASN HD21 . 10008 1 863 . 1 1 80 80 ASN HD22 H 1 6.976 0.030 . 2 . . . . 80 ASN HD22 . 10008 1 864 . 1 1 80 80 ASN C C 13 174.333 0.300 . 1 . . . . 80 ASN C . 10008 1 865 . 1 1 80 80 ASN CA C 13 52.483 0.300 . 1 . . . . 80 ASN CA . 10008 1 866 . 1 1 80 80 ASN CB C 13 39.564 0.300 . 1 . . . . 80 ASN CB . 10008 1 867 . 1 1 80 80 ASN N N 15 113.575 0.300 . 1 . . . . 80 ASN N . 10008 1 868 . 1 1 80 80 ASN ND2 N 15 113.258 0.300 . 1 . . . . 80 ASN ND2 . 10008 1 869 . 1 1 81 81 ALA H H 1 7.639 0.030 . 1 . . . . 81 ALA H . 10008 1 870 . 1 1 81 81 ALA HA H 1 4.315 0.030 . 1 . . . . 81 ALA HA . 10008 1 871 . 1 1 81 81 ALA HB1 H 1 1.551 0.030 . 1 . . . . 81 ALA HB . 10008 1 872 . 1 1 81 81 ALA HB2 H 1 1.551 0.030 . 1 . . . . 81 ALA HB . 10008 1 873 . 1 1 81 81 ALA HB3 H 1 1.551 0.030 . 1 . . . . 81 ALA HB . 10008 1 874 . 1 1 81 81 ALA C C 13 177.166 0.300 . 1 . . . . 81 ALA C . 10008 1 875 . 1 1 81 81 ALA CA C 13 53.075 0.300 . 1 . . . . 81 ALA CA . 10008 1 876 . 1 1 81 81 ALA CB C 13 20.104 0.300 . 1 . . . . 81 ALA CB . 10008 1 877 . 1 1 81 81 ALA N N 15 121.127 0.300 . 1 . . . . 81 ALA N . 10008 1 878 . 1 1 82 82 HIS H H 1 8.406 0.030 . 1 . . . . 82 HIS H . 10008 1 879 . 1 1 82 82 HIS HA H 1 4.338 0.030 . 1 . . . . 82 HIS HA . 10008 1 880 . 1 1 82 82 HIS HB2 H 1 2.502 0.030 . 1 . . . . 82 HIS HB2 . 10008 1 881 . 1 1 82 82 HIS HB3 H 1 2.502 0.030 . 1 . . . . 82 HIS HB3 . 10008 1 882 . 1 1 82 82 HIS HD2 H 1 6.436 0.030 . 1 . . . . 82 HIS HD2 . 10008 1 883 . 1 1 82 82 HIS HE1 H 1 7.743 0.030 . 1 . . . . 82 HIS HE1 . 10008 1 884 . 1 1 82 82 HIS C C 13 174.016 0.300 . 1 . . . . 82 HIS C . 10008 1 885 . 1 1 82 82 HIS CA C 13 56.135 0.300 . 1 . . . . 82 HIS CA . 10008 1 886 . 1 1 82 82 HIS CB C 13 31.493 0.300 . 1 . . . . 82 HIS CB . 10008 1 887 . 1 1 82 82 HIS CD2 C 13 117.524 0.300 . 1 . . . . 82 HIS CD2 . 10008 1 888 . 1 1 82 82 HIS CE1 C 13 139.307 0.300 . 1 . . . . 82 HIS CE1 . 10008 1 889 . 1 1 82 82 HIS N N 15 122.204 0.300 . 1 . . . . 82 HIS N . 10008 1 890 . 1 1 83 83 ILE H H 1 7.575 0.030 . 1 . . . . 83 ILE H . 10008 1 891 . 1 1 83 83 ILE HA H 1 4.072 0.030 . 1 . . . . 83 ILE HA . 10008 1 892 . 1 1 83 83 ILE HB H 1 1.548 0.030 . 1 . . . . 83 ILE HB . 10008 1 893 . 1 1 83 83 ILE HG12 H 1 1.322 0.030 . 2 . . . . 83 ILE HG12 . 10008 1 894 . 1 1 83 83 ILE HG13 H 1 0.962 0.030 . 2 . . . . 83 ILE HG13 . 10008 1 895 . 1 1 83 83 ILE HG21 H 1 0.131 0.030 . 1 . . . . 83 ILE HG2 . 10008 1 896 . 1 1 83 83 ILE HG22 H 1 0.131 0.030 . 1 . . . . 83 ILE HG2 . 10008 1 897 . 1 1 83 83 ILE HG23 H 1 0.131 0.030 . 1 . . . . 83 ILE HG2 . 10008 1 898 . 1 1 83 83 ILE HD11 H 1 0.640 0.030 . 1 . . . . 83 ILE HD1 . 10008 1 899 . 1 1 83 83 ILE HD12 H 1 0.640 0.030 . 1 . . . . 83 ILE HD1 . 10008 1 900 . 1 1 83 83 ILE HD13 H 1 0.640 0.030 . 1 . . . . 83 ILE HD1 . 10008 1 901 . 1 1 83 83 ILE C C 13 173.676 0.300 . 1 . . . . 83 ILE C . 10008 1 902 . 1 1 83 83 ILE CA C 13 59.463 0.300 . 1 . . . . 83 ILE CA . 10008 1 903 . 1 1 83 83 ILE CB C 13 37.204 0.300 . 1 . . . . 83 ILE CB . 10008 1 904 . 1 1 83 83 ILE CG1 C 13 27.042 0.300 . 1 . . . . 83 ILE CG1 . 10008 1 905 . 1 1 83 83 ILE CG2 C 13 17.509 0.300 . 1 . . . . 83 ILE CG2 . 10008 1 906 . 1 1 83 83 ILE CD1 C 13 11.681 0.300 . 1 . . . . 83 ILE CD1 . 10008 1 907 . 1 1 83 83 ILE N N 15 127.296 0.300 . 1 . . . . 83 ILE N . 10008 1 908 . 1 1 84 84 ASP H H 1 8.680 0.030 . 1 . . . . 84 ASP H . 10008 1 909 . 1 1 84 84 ASP HA H 1 4.480 0.030 . 1 . . . . 84 ASP HA . 10008 1 910 . 1 1 84 84 ASP HB2 H 1 2.666 0.030 . 2 . . . . 84 ASP HB2 . 10008 1 911 . 1 1 84 84 ASP HB3 H 1 2.388 0.030 . 2 . . . . 84 ASP HB3 . 10008 1 912 . 1 1 84 84 ASP C C 13 176.295 0.300 . 1 . . . . 84 ASP C . 10008 1 913 . 1 1 84 84 ASP CA C 13 53.198 0.300 . 1 . . . . 84 ASP CA . 10008 1 914 . 1 1 84 84 ASP CB C 13 43.105 0.300 . 1 . . . . 84 ASP CB . 10008 1 915 . 1 1 84 84 ASP N N 15 126.073 0.300 . 1 . . . . 84 ASP N . 10008 1 916 . 1 1 85 85 TYR H H 1 8.762 0.030 . 1 . . . . 85 TYR H . 10008 1 917 . 1 1 85 85 TYR HA H 1 4.442 0.030 . 1 . . . . 85 TYR HA . 10008 1 918 . 1 1 85 85 TYR HB2 H 1 3.416 0.030 . 2 . . . . 85 TYR HB2 . 10008 1 919 . 1 1 85 85 TYR HB3 H 1 2.663 0.030 . 2 . . . . 85 TYR HB3 . 10008 1 920 . 1 1 85 85 TYR HD1 H 1 7.130 0.030 . 1 . . . . 85 TYR HD1 . 10008 1 921 . 1 1 85 85 TYR HD2 H 1 7.130 0.030 . 1 . . . . 85 TYR HD2 . 10008 1 922 . 1 1 85 85 TYR HE1 H 1 6.733 0.030 . 1 . . . . 85 TYR HE1 . 10008 1 923 . 1 1 85 85 TYR HE2 H 1 6.733 0.030 . 1 . . . . 85 TYR HE2 . 10008 1 924 . 1 1 85 85 TYR C C 13 176.270 0.300 . 1 . . . . 85 TYR C . 10008 1 925 . 1 1 85 85 TYR CA C 13 58.838 0.300 . 1 . . . . 85 TYR CA . 10008 1 926 . 1 1 85 85 TYR CB C 13 38.044 0.300 . 1 . . . . 85 TYR CB . 10008 1 927 . 1 1 85 85 TYR CD1 C 13 133.161 0.300 . 1 . . . . 85 TYR CD1 . 10008 1 928 . 1 1 85 85 TYR CD2 C 13 133.161 0.300 . 1 . . . . 85 TYR CD2 . 10008 1 929 . 1 1 85 85 TYR CE1 C 13 118.144 0.300 . 1 . . . . 85 TYR CE1 . 10008 1 930 . 1 1 85 85 TYR CE2 C 13 118.144 0.300 . 1 . . . . 85 TYR CE2 . 10008 1 931 . 1 1 85 85 TYR N N 15 124.949 0.300 . 1 . . . . 85 TYR N . 10008 1 932 . 1 1 86 86 THR H H 1 8.272 0.030 . 1 . . . . 86 THR H . 10008 1 933 . 1 1 86 86 THR HA H 1 3.998 0.030 . 1 . . . . 86 THR HA . 10008 1 934 . 1 1 86 86 THR HB H 1 4.159 0.030 . 1 . . . . 86 THR HB . 10008 1 935 . 1 1 86 86 THR HG21 H 1 1.293 0.030 . 1 . . . . 86 THR HG2 . 10008 1 936 . 1 1 86 86 THR HG22 H 1 1.293 0.030 . 1 . . . . 86 THR HG2 . 10008 1 937 . 1 1 86 86 THR HG23 H 1 1.293 0.030 . 1 . . . . 86 THR HG2 . 10008 1 938 . 1 1 86 86 THR C C 13 175.613 0.300 . 1 . . . . 86 THR C . 10008 1 939 . 1 1 86 86 THR CA C 13 65.882 0.300 . 1 . . . . 86 THR CA . 10008 1 940 . 1 1 86 86 THR CB C 13 68.953 0.300 . 1 . . . . 86 THR CB . 10008 1 941 . 1 1 86 86 THR CG2 C 13 21.751 0.300 . 1 . . . . 86 THR CG2 . 10008 1 942 . 1 1 86 86 THR N N 15 115.837 0.300 . 1 . . . . 86 THR N . 10008 1 943 . 1 1 87 87 SER H H 1 7.892 0.030 . 1 . . . . 87 SER H . 10008 1 944 . 1 1 87 87 SER HA H 1 4.423 0.030 . 1 . . . . 87 SER HA . 10008 1 945 . 1 1 87 87 SER HB2 H 1 3.868 0.030 . 2 . . . . 87 SER HB2 . 10008 1 946 . 1 1 87 87 SER HB3 H 1 3.776 0.030 . 2 . . . . 87 SER HB3 . 10008 1 947 . 1 1 87 87 SER C C 13 174.024 0.300 . 1 . . . . 87 SER C . 10008 1 948 . 1 1 87 87 SER CA C 13 57.093 0.300 . 1 . . . . 87 SER CA . 10008 1 949 . 1 1 87 87 SER CB C 13 62.959 0.300 . 1 . . . . 87 SER CB . 10008 1 950 . 1 1 87 87 SER N N 15 116.392 0.300 . 1 . . . . 87 SER N . 10008 1 951 . 1 1 88 88 ARG H H 1 7.892 0.030 . 1 . . . . 88 ARG H . 10008 1 952 . 1 1 88 88 ARG HA H 1 4.476 0.030 . 1 . . . . 88 ARG HA . 10008 1 953 . 1 1 88 88 ARG HB2 H 1 1.816 0.030 . 2 . . . . 88 ARG HB2 . 10008 1 954 . 1 1 88 88 ARG HB3 H 1 1.720 0.030 . 2 . . . . 88 ARG HB3 . 10008 1 955 . 1 1 88 88 ARG HG2 H 1 1.773 0.030 . 2 . . . . 88 ARG HG2 . 10008 1 956 . 1 1 88 88 ARG HG3 H 1 1.708 0.030 . 2 . . . . 88 ARG HG3 . 10008 1 957 . 1 1 88 88 ARG HD2 H 1 3.235 0.030 . 1 . . . . 88 ARG HD2 . 10008 1 958 . 1 1 88 88 ARG HD3 H 1 3.235 0.030 . 1 . . . . 88 ARG HD3 . 10008 1 959 . 1 1 88 88 ARG C C 13 174.218 0.300 . 1 . . . . 88 ARG C . 10008 1 960 . 1 1 88 88 ARG CA C 13 54.914 0.300 . 1 . . . . 88 ARG CA . 10008 1 961 . 1 1 88 88 ARG CB C 13 29.901 0.300 . 1 . . . . 88 ARG CB . 10008 1 962 . 1 1 88 88 ARG CG C 13 27.042 0.300 . 1 . . . . 88 ARG CG . 10008 1 963 . 1 1 88 88 ARG CD C 13 43.553 0.300 . 1 . . . . 88 ARG CD . 10008 1 964 . 1 1 88 88 ARG N N 15 122.780 0.300 . 1 . . . . 88 ARG N . 10008 1 965 . 1 1 89 89 PRO HA H 1 4.268 0.030 . 1 . . . . 89 PRO HA . 10008 1 966 . 1 1 89 89 PRO HB2 H 1 1.616 0.030 . 1 . . . . 89 PRO HB2 . 10008 1 967 . 1 1 89 89 PRO HB3 H 1 1.616 0.030 . 1 . . . . 89 PRO HB3 . 10008 1 968 . 1 1 89 89 PRO HG2 H 1 2.109 0.030 . 2 . . . . 89 PRO HG2 . 10008 1 969 . 1 1 89 89 PRO HG3 H 1 1.949 0.030 . 2 . . . . 89 PRO HG3 . 10008 1 970 . 1 1 89 89 PRO HD2 H 1 3.806 0.030 . 2 . . . . 89 PRO HD2 . 10008 1 971 . 1 1 89 89 PRO HD3 H 1 3.606 0.030 . 2 . . . . 89 PRO HD3 . 10008 1 972 . 1 1 89 89 PRO C C 13 176.554 0.300 . 1 . . . . 89 PRO C . 10008 1 973 . 1 1 89 89 PRO CA C 13 63.640 0.300 . 1 . . . . 89 PRO CA . 10008 1 974 . 1 1 89 89 PRO CB C 13 31.633 0.300 . 1 . . . . 89 PRO CB . 10008 1 975 . 1 1 89 89 PRO CG C 13 27.915 0.300 . 1 . . . . 89 PRO CG . 10008 1 976 . 1 1 89 89 PRO CD C 13 50.404 0.300 . 1 . . . . 89 PRO CD . 10008 1 977 . 1 1 90 90 ALA H H 1 7.919 0.030 . 1 . . . . 90 ALA H . 10008 1 978 . 1 1 90 90 ALA HA H 1 5.002 0.030 . 1 . . . . 90 ALA HA . 10008 1 979 . 1 1 90 90 ALA HB1 H 1 1.218 0.030 . 1 . . . . 90 ALA HB . 10008 1 980 . 1 1 90 90 ALA HB2 H 1 1.218 0.030 . 1 . . . . 90 ALA HB . 10008 1 981 . 1 1 90 90 ALA HB3 H 1 1.218 0.030 . 1 . . . . 90 ALA HB . 10008 1 982 . 1 1 90 90 ALA C C 13 175.122 0.300 . 1 . . . . 90 ALA C . 10008 1 983 . 1 1 90 90 ALA CA C 13 51.327 0.300 . 1 . . . . 90 ALA CA . 10008 1 984 . 1 1 90 90 ALA CB C 13 23.072 0.300 . 1 . . . . 90 ALA CB . 10008 1 985 . 1 1 90 90 ALA N N 15 123.784 0.300 . 1 . . . . 90 ALA N . 10008 1 986 . 1 1 91 91 ILE H H 1 8.309 0.030 . 1 . . . . 91 ILE H . 10008 1 987 . 1 1 91 91 ILE HA H 1 4.479 0.030 . 1 . . . . 91 ILE HA . 10008 1 988 . 1 1 91 91 ILE HB H 1 1.894 0.030 . 1 . . . . 91 ILE HB . 10008 1 989 . 1 1 91 91 ILE HG12 H 1 1.481 0.030 . 2 . . . . 91 ILE HG12 . 10008 1 990 . 1 1 91 91 ILE HG13 H 1 1.130 0.030 . 2 . . . . 91 ILE HG13 . 10008 1 991 . 1 1 91 91 ILE HG21 H 1 0.728 0.030 . 1 . . . . 91 ILE HG2 . 10008 1 992 . 1 1 91 91 ILE HG22 H 1 0.728 0.030 . 1 . . . . 91 ILE HG2 . 10008 1 993 . 1 1 91 91 ILE HG23 H 1 0.728 0.030 . 1 . . . . 91 ILE HG2 . 10008 1 994 . 1 1 91 91 ILE HD11 H 1 0.855 0.030 . 1 . . . . 91 ILE HD1 . 10008 1 995 . 1 1 91 91 ILE HD12 H 1 0.855 0.030 . 1 . . . . 91 ILE HD1 . 10008 1 996 . 1 1 91 91 ILE HD13 H 1 0.855 0.030 . 1 . . . . 91 ILE HD1 . 10008 1 997 . 1 1 91 91 ILE C C 13 174.996 0.300 . 1 . . . . 91 ILE C . 10008 1 998 . 1 1 91 91 ILE CA C 13 60.621 0.300 . 1 . . . . 91 ILE CA . 10008 1 999 . 1 1 91 91 ILE CB C 13 40.151 0.300 . 1 . . . . 91 ILE CB . 10008 1 1000 . 1 1 91 91 ILE CG1 C 13 28.828 0.300 . 1 . . . . 91 ILE CG1 . 10008 1 1001 . 1 1 91 91 ILE CG2 C 13 18.206 0.300 . 1 . . . . 91 ILE CG2 . 10008 1 1002 . 1 1 91 91 ILE CD1 C 13 13.754 0.300 . 1 . . . . 91 ILE CD1 . 10008 1 1003 . 1 1 91 91 ILE N N 15 120.485 0.300 . 1 . . . . 91 ILE N . 10008 1 1004 . 1 1 92 92 VAL H H 1 9.513 0.030 . 1 . . . . 92 VAL H . 10008 1 1005 . 1 1 92 92 VAL HA H 1 4.935 0.030 . 1 . . . . 92 VAL HA . 10008 1 1006 . 1 1 92 92 VAL HB H 1 1.904 0.030 . 1 . . . . 92 VAL HB . 10008 1 1007 . 1 1 92 92 VAL HG11 H 1 1.044 0.030 . 1 . . . . 92 VAL HG1 . 10008 1 1008 . 1 1 92 92 VAL HG12 H 1 1.044 0.030 . 1 . . . . 92 VAL HG1 . 10008 1 1009 . 1 1 92 92 VAL HG13 H 1 1.044 0.030 . 1 . . . . 92 VAL HG1 . 10008 1 1010 . 1 1 92 92 VAL HG21 H 1 0.881 0.030 . 1 . . . . 92 VAL HG2 . 10008 1 1011 . 1 1 92 92 VAL HG22 H 1 0.881 0.030 . 1 . . . . 92 VAL HG2 . 10008 1 1012 . 1 1 92 92 VAL HG23 H 1 0.881 0.030 . 1 . . . . 92 VAL HG2 . 10008 1 1013 . 1 1 92 92 VAL C C 13 174.359 0.300 . 1 . . . . 92 VAL C . 10008 1 1014 . 1 1 92 92 VAL CA C 13 62.418 0.300 . 1 . . . . 92 VAL CA . 10008 1 1015 . 1 1 92 92 VAL CB C 13 34.055 0.300 . 1 . . . . 92 VAL CB . 10008 1 1016 . 1 1 92 92 VAL CG1 C 13 21.947 0.300 . 1 . . . . 92 VAL CG1 . 10008 1 1017 . 1 1 92 92 VAL CG2 C 13 21.006 0.300 . 1 . . . . 92 VAL CG2 . 10008 1 1018 . 1 1 92 92 VAL N N 15 126.629 0.300 . 1 . . . . 92 VAL N . 10008 1 1019 . 1 1 93 93 PHE H H 1 8.856 0.030 . 1 . . . . 93 PHE H . 10008 1 1020 . 1 1 93 93 PHE HA H 1 6.061 0.030 . 1 . . . . 93 PHE HA . 10008 1 1021 . 1 1 93 93 PHE HB2 H 1 3.053 0.030 . 2 . . . . 93 PHE HB2 . 10008 1 1022 . 1 1 93 93 PHE HB3 H 1 2.754 0.030 . 2 . . . . 93 PHE HB3 . 10008 1 1023 . 1 1 93 93 PHE HD1 H 1 7.186 0.030 . 1 . . . . 93 PHE HD1 . 10008 1 1024 . 1 1 93 93 PHE HD2 H 1 7.186 0.030 . 1 . . . . 93 PHE HD2 . 10008 1 1025 . 1 1 93 93 PHE HE1 H 1 7.103 0.030 . 1 . . . . 93 PHE HE1 . 10008 1 1026 . 1 1 93 93 PHE HE2 H 1 7.103 0.030 . 1 . . . . 93 PHE HE2 . 10008 1 1027 . 1 1 93 93 PHE HZ H 1 6.955 0.030 . 1 . . . . 93 PHE HZ . 10008 1 1028 . 1 1 93 93 PHE C C 13 176.502 0.300 . 1 . . . . 93 PHE C . 10008 1 1029 . 1 1 93 93 PHE CA C 13 55.630 0.300 . 1 . . . . 93 PHE CA . 10008 1 1030 . 1 1 93 93 PHE CB C 13 43.540 0.300 . 1 . . . . 93 PHE CB . 10008 1 1031 . 1 1 93 93 PHE CD1 C 13 132.284 0.300 . 1 . . . . 93 PHE CD1 . 10008 1 1032 . 1 1 93 93 PHE CD2 C 13 132.284 0.300 . 1 . . . . 93 PHE CD2 . 10008 1 1033 . 1 1 93 93 PHE CE1 C 13 130.904 0.300 . 1 . . . . 93 PHE CE1 . 10008 1 1034 . 1 1 93 93 PHE CE2 C 13 130.904 0.300 . 1 . . . . 93 PHE CE2 . 10008 1 1035 . 1 1 93 93 PHE CZ C 13 128.589 0.300 . 1 . . . . 93 PHE CZ . 10008 1 1036 . 1 1 93 93 PHE N N 15 121.953 0.300 . 1 . . . . 93 PHE N . 10008 1 1037 . 1 1 94 94 ARG H H 1 8.734 0.030 . 1 . . . . 94 ARG H . 10008 1 1038 . 1 1 94 94 ARG HA H 1 5.591 0.030 . 1 . . . . 94 ARG HA . 10008 1 1039 . 1 1 94 94 ARG HB2 H 1 1.289 0.030 . 2 . . . . 94 ARG HB2 . 10008 1 1040 . 1 1 94 94 ARG HB3 H 1 0.974 0.030 . 2 . . . . 94 ARG HB3 . 10008 1 1041 . 1 1 94 94 ARG HG2 H 1 1.185 0.030 . 1 . . . . 94 ARG HG2 . 10008 1 1042 . 1 1 94 94 ARG HG3 H 1 1.185 0.030 . 1 . . . . 94 ARG HG3 . 10008 1 1043 . 1 1 94 94 ARG HD2 H 1 1.901 0.030 . 2 . . . . 94 ARG HD2 . 10008 1 1044 . 1 1 94 94 ARG HD3 H 1 1.260 0.030 . 2 . . . . 94 ARG HD3 . 10008 1 1045 . 1 1 94 94 ARG C C 13 175.462 0.300 . 1 . . . . 94 ARG C . 10008 1 1046 . 1 1 94 94 ARG CA C 13 54.809 0.300 . 1 . . . . 94 ARG CA . 10008 1 1047 . 1 1 94 94 ARG CB C 13 36.297 0.300 . 1 . . . . 94 ARG CB . 10008 1 1048 . 1 1 94 94 ARG CG C 13 28.253 0.300 . 1 . . . . 94 ARG CG . 10008 1 1049 . 1 1 94 94 ARG CD C 13 42.951 0.300 . 1 . . . . 94 ARG CD . 10008 1 1050 . 1 1 94 94 ARG N N 15 117.701 0.300 . 1 . . . . 94 ARG N . 10008 1 1051 . 1 1 95 95 ILE H H 1 8.596 0.030 . 1 . . . . 95 ILE H . 10008 1 1052 . 1 1 95 95 ILE HA H 1 5.131 0.030 . 1 . . . . 95 ILE HA . 10008 1 1053 . 1 1 95 95 ILE HB H 1 1.097 0.030 . 1 . . . . 95 ILE HB . 10008 1 1054 . 1 1 95 95 ILE HG12 H 1 1.088 0.030 . 2 . . . . 95 ILE HG12 . 10008 1 1055 . 1 1 95 95 ILE HG13 H 1 0.650 0.030 . 2 . . . . 95 ILE HG13 . 10008 1 1056 . 1 1 95 95 ILE HG21 H 1 -0.353 0.030 . 1 . . . . 95 ILE HG2 . 10008 1 1057 . 1 1 95 95 ILE HG22 H 1 -0.353 0.030 . 1 . . . . 95 ILE HG2 . 10008 1 1058 . 1 1 95 95 ILE HG23 H 1 -0.353 0.030 . 1 . . . . 95 ILE HG2 . 10008 1 1059 . 1 1 95 95 ILE HD11 H 1 0.406 0.030 . 1 . . . . 95 ILE HD1 . 10008 1 1060 . 1 1 95 95 ILE HD12 H 1 0.406 0.030 . 1 . . . . 95 ILE HD1 . 10008 1 1061 . 1 1 95 95 ILE HD13 H 1 0.406 0.030 . 1 . . . . 95 ILE HD1 . 10008 1 1062 . 1 1 95 95 ILE C C 13 174.370 0.300 . 1 . . . . 95 ILE C . 10008 1 1063 . 1 1 95 95 ILE CA C 13 60.270 0.300 . 1 . . . . 95 ILE CA . 10008 1 1064 . 1 1 95 95 ILE CB C 13 41.451 0.300 . 1 . . . . 95 ILE CB . 10008 1 1065 . 1 1 95 95 ILE CG1 C 13 27.939 0.300 . 1 . . . . 95 ILE CG1 . 10008 1 1066 . 1 1 95 95 ILE CG2 C 13 16.614 0.300 . 1 . . . . 95 ILE CG2 . 10008 1 1067 . 1 1 95 95 ILE CD1 C 13 14.934 0.300 . 1 . . . . 95 ILE CD1 . 10008 1 1068 . 1 1 95 95 ILE N N 15 121.470 0.300 . 1 . . . . 95 ILE N . 10008 1 1069 . 1 1 96 96 SER H H 1 9.227 0.030 . 1 . . . . 96 SER H . 10008 1 1070 . 1 1 96 96 SER HA H 1 4.885 0.030 . 1 . . . . 96 SER HA . 10008 1 1071 . 1 1 96 96 SER HB2 H 1 3.890 0.030 . 2 . . . . 96 SER HB2 . 10008 1 1072 . 1 1 96 96 SER HB3 H 1 3.657 0.030 . 2 . . . . 96 SER HB3 . 10008 1 1073 . 1 1 96 96 SER C C 13 171.762 0.300 . 1 . . . . 96 SER C . 10008 1 1074 . 1 1 96 96 SER CA C 13 57.231 0.300 . 1 . . . . 96 SER CA . 10008 1 1075 . 1 1 96 96 SER CB C 13 66.836 0.300 . 1 . . . . 96 SER CB . 10008 1 1076 . 1 1 96 96 SER N N 15 121.033 0.300 . 1 . . . . 96 SER N . 10008 1 1077 . 1 1 97 97 ALA H H 1 9.783 0.030 . 1 . . . . 97 ALA H . 10008 1 1078 . 1 1 97 97 ALA HA H 1 5.209 0.030 . 1 . . . . 97 ALA HA . 10008 1 1079 . 1 1 97 97 ALA HB1 H 1 1.347 0.030 . 1 . . . . 97 ALA HB . 10008 1 1080 . 1 1 97 97 ALA HB2 H 1 1.347 0.030 . 1 . . . . 97 ALA HB . 10008 1 1081 . 1 1 97 97 ALA HB3 H 1 1.347 0.030 . 1 . . . . 97 ALA HB . 10008 1 1082 . 1 1 97 97 ALA C C 13 173.440 0.300 . 1 . . . . 97 ALA C . 10008 1 1083 . 1 1 97 97 ALA CA C 13 50.451 0.300 . 1 . . . . 97 ALA CA . 10008 1 1084 . 1 1 97 97 ALA CB C 13 24.252 0.300 . 1 . . . . 97 ALA CB . 10008 1 1085 . 1 1 97 97 ALA N N 15 125.200 0.300 . 1 . . . . 97 ALA N . 10008 1 1086 . 1 1 98 98 LYS H H 1 8.333 0.030 . 1 . . . . 98 LYS H . 10008 1 1087 . 1 1 98 98 LYS HA H 1 4.495 0.030 . 1 . . . . 98 LYS HA . 10008 1 1088 . 1 1 98 98 LYS HB2 H 1 0.927 0.030 . 1 . . . . 98 LYS HB2 . 10008 1 1089 . 1 1 98 98 LYS HB3 H 1 0.927 0.030 . 1 . . . . 98 LYS HB3 . 10008 1 1090 . 1 1 98 98 LYS HG2 H 1 1.312 0.030 . 2 . . . . 98 LYS HG2 . 10008 1 1091 . 1 1 98 98 LYS HG3 H 1 0.491 0.030 . 2 . . . . 98 LYS HG3 . 10008 1 1092 . 1 1 98 98 LYS HD2 H 1 1.309 0.030 . 2 . . . . 98 LYS HD2 . 10008 1 1093 . 1 1 98 98 LYS HD3 H 1 1.050 0.030 . 2 . . . . 98 LYS HD3 . 10008 1 1094 . 1 1 98 98 LYS HE2 H 1 2.699 0.030 . 1 . . . . 98 LYS HE2 . 10008 1 1095 . 1 1 98 98 LYS HE3 H 1 2.699 0.030 . 1 . . . . 98 LYS HE3 . 10008 1 1096 . 1 1 98 98 LYS C C 13 176.230 0.300 . 1 . . . . 98 LYS C . 10008 1 1097 . 1 1 98 98 LYS CA C 13 54.207 0.300 . 1 . . . . 98 LYS CA . 10008 1 1098 . 1 1 98 98 LYS CB C 13 35.894 0.300 . 1 . . . . 98 LYS CB . 10008 1 1099 . 1 1 98 98 LYS CG C 13 24.883 0.300 . 1 . . . . 98 LYS CG . 10008 1 1100 . 1 1 98 98 LYS CD C 13 29.699 0.300 . 1 . . . . 98 LYS CD . 10008 1 1101 . 1 1 98 98 LYS CE C 13 42.232 0.300 . 1 . . . . 98 LYS CE . 10008 1 1102 . 1 1 98 98 LYS N N 15 120.902 0.300 . 1 . . . . 98 LYS N . 10008 1 1103 . 1 1 99 99 ASN H H 1 8.135 0.030 . 1 . . . . 99 ASN H . 10008 1 1104 . 1 1 99 99 ASN HA H 1 5.157 0.030 . 1 . . . . 99 ASN HA . 10008 1 1105 . 1 1 99 99 ASN HB2 H 1 3.509 0.030 . 2 . . . . 99 ASN HB2 . 10008 1 1106 . 1 1 99 99 ASN HB3 H 1 2.540 0.030 . 2 . . . . 99 ASN HB3 . 10008 1 1107 . 1 1 99 99 ASN HD21 H 1 7.557 0.030 . 2 . . . . 99 ASN HD21 . 10008 1 1108 . 1 1 99 99 ASN HD22 H 1 7.198 0.030 . 2 . . . . 99 ASN HD22 . 10008 1 1109 . 1 1 99 99 ASN C C 13 175.851 0.300 . 1 . . . . 99 ASN C . 10008 1 1110 . 1 1 99 99 ASN CA C 13 51.239 0.300 . 1 . . . . 99 ASN CA . 10008 1 1111 . 1 1 99 99 ASN CB C 13 40.007 0.300 . 1 . . . . 99 ASN CB . 10008 1 1112 . 1 1 99 99 ASN N N 15 126.503 0.300 . 1 . . . . 99 ASN N . 10008 1 1113 . 1 1 99 99 ASN ND2 N 15 109.982 0.300 . 1 . . . . 99 ASN ND2 . 10008 1 1114 . 1 1 100 100 GLU H H 1 9.437 0.030 . 1 . . . . 100 GLU H . 10008 1 1115 . 1 1 100 100 GLU HA H 1 3.959 0.030 . 1 . . . . 100 GLU HA . 10008 1 1116 . 1 1 100 100 GLU HB2 H 1 2.093 0.030 . 2 . . . . 100 GLU HB2 . 10008 1 1117 . 1 1 100 100 GLU HB3 H 1 2.040 0.030 . 2 . . . . 100 GLU HB3 . 10008 1 1118 . 1 1 100 100 GLU HG2 H 1 2.397 0.030 . 2 . . . . 100 GLU HG2 . 10008 1 1119 . 1 1 100 100 GLU HG3 H 1 2.329 0.030 . 2 . . . . 100 GLU HG3 . 10008 1 1120 . 1 1 100 100 GLU C C 13 177.292 0.300 . 1 . . . . 100 GLU C . 10008 1 1121 . 1 1 100 100 GLU CA C 13 59.825 0.300 . 1 . . . . 100 GLU CA . 10008 1 1122 . 1 1 100 100 GLU CB C 13 28.878 0.300 . 1 . . . . 100 GLU CB . 10008 1 1123 . 1 1 100 100 GLU CG C 13 36.593 0.300 . 1 . . . . 100 GLU CG . 10008 1 1124 . 1 1 100 100 GLU N N 15 117.185 0.300 . 1 . . . . 100 GLU N . 10008 1 1125 . 1 1 101 101 LYS H H 1 7.976 0.030 . 1 . . . . 101 LYS H . 10008 1 1126 . 1 1 101 101 LYS HA H 1 4.334 0.030 . 1 . . . . 101 LYS HA . 10008 1 1127 . 1 1 101 101 LYS HB2 H 1 1.888 0.030 . 2 . . . . 101 LYS HB2 . 10008 1 1128 . 1 1 101 101 LYS HB3 H 1 1.757 0.030 . 2 . . . . 101 LYS HB3 . 10008 1 1129 . 1 1 101 101 LYS HG2 H 1 1.386 0.030 . 2 . . . . 101 LYS HG2 . 10008 1 1130 . 1 1 101 101 LYS HG3 H 1 1.318 0.030 . 2 . . . . 101 LYS HG3 . 10008 1 1131 . 1 1 101 101 LYS HD2 H 1 1.601 0.030 . 1 . . . . 101 LYS HD2 . 10008 1 1132 . 1 1 101 101 LYS HD3 H 1 1.601 0.030 . 1 . . . . 101 LYS HD3 . 10008 1 1133 . 1 1 101 101 LYS HE2 H 1 2.978 0.030 . 1 . . . . 101 LYS HE2 . 10008 1 1134 . 1 1 101 101 LYS HE3 H 1 2.978 0.030 . 1 . . . . 101 LYS HE3 . 10008 1 1135 . 1 1 101 101 LYS C C 13 176.660 0.300 . 1 . . . . 101 LYS C . 10008 1 1136 . 1 1 101 101 LYS CA C 13 55.840 0.300 . 1 . . . . 101 LYS CA . 10008 1 1137 . 1 1 101 101 LYS CB C 13 32.306 0.300 . 1 . . . . 101 LYS CB . 10008 1 1138 . 1 1 101 101 LYS CG C 13 24.963 0.300 . 1 . . . . 101 LYS CG . 10008 1 1139 . 1 1 101 101 LYS CD C 13 28.341 0.300 . 1 . . . . 101 LYS CD . 10008 1 1140 . 1 1 101 101 LYS CE C 13 42.326 0.300 . 1 . . . . 101 LYS CE . 10008 1 1141 . 1 1 101 101 LYS N N 15 117.258 0.300 . 1 . . . . 101 LYS N . 10008 1 1142 . 1 1 102 102 GLY H H 1 7.677 0.030 . 1 . . . . 102 GLY H . 10008 1 1143 . 1 1 102 102 GLY HA2 H 1 4.576 0.030 . 2 . . . . 102 GLY HA2 . 10008 1 1144 . 1 1 102 102 GLY HA3 H 1 3.618 0.030 . 2 . . . . 102 GLY HA3 . 10008 1 1145 . 1 1 102 102 GLY C C 13 172.806 0.300 . 1 . . . . 102 GLY C . 10008 1 1146 . 1 1 102 102 GLY CA C 13 44.727 0.300 . 1 . . . . 102 GLY CA . 10008 1 1147 . 1 1 102 102 GLY N N 15 106.851 0.300 . 1 . . . . 102 GLY N . 10008 1 1148 . 1 1 103 103 TYR H H 1 8.599 0.030 . 1 . . . . 103 TYR H . 10008 1 1149 . 1 1 103 103 TYR HA H 1 4.914 0.030 . 1 . . . . 103 TYR HA . 10008 1 1150 . 1 1 103 103 TYR HB2 H 1 3.126 0.030 . 2 . . . . 103 TYR HB2 . 10008 1 1151 . 1 1 103 103 TYR HB3 H 1 2.806 0.030 . 2 . . . . 103 TYR HB3 . 10008 1 1152 . 1 1 103 103 TYR HD1 H 1 7.170 0.030 . 1 . . . . 103 TYR HD1 . 10008 1 1153 . 1 1 103 103 TYR HD2 H 1 7.170 0.030 . 1 . . . . 103 TYR HD2 . 10008 1 1154 . 1 1 103 103 TYR HE1 H 1 6.742 0.030 . 1 . . . . 103 TYR HE1 . 10008 1 1155 . 1 1 103 103 TYR HE2 H 1 6.742 0.030 . 1 . . . . 103 TYR HE2 . 10008 1 1156 . 1 1 103 103 TYR C C 13 179.000 0.300 . 1 . . . . 103 TYR C . 10008 1 1157 . 1 1 103 103 TYR CA C 13 59.715 0.300 . 1 . . . . 103 TYR CA . 10008 1 1158 . 1 1 103 103 TYR CB C 13 40.252 0.300 . 1 . . . . 103 TYR CB . 10008 1 1159 . 1 1 103 103 TYR CD1 C 13 133.527 0.300 . 1 . . . . 103 TYR CD1 . 10008 1 1160 . 1 1 103 103 TYR CD2 C 13 133.527 0.300 . 1 . . . . 103 TYR CD2 . 10008 1 1161 . 1 1 103 103 TYR CE1 C 13 119.403 0.300 . 1 . . . . 103 TYR CE1 . 10008 1 1162 . 1 1 103 103 TYR CE2 C 13 119.403 0.300 . 1 . . . . 103 TYR CE2 . 10008 1 1163 . 1 1 103 103 TYR N N 15 118.343 0.300 . 1 . . . . 103 TYR N . 10008 1 1164 . 1 1 104 104 GLY H H 1 8.821 0.030 . 1 . . . . 104 GLY H . 10008 1 1165 . 1 1 104 104 GLY HA2 H 1 4.494 0.030 . 2 . . . . 104 GLY HA2 . 10008 1 1166 . 1 1 104 104 GLY HA3 H 1 4.197 0.030 . 2 . . . . 104 GLY HA3 . 10008 1 1167 . 1 1 104 104 GLY C C 13 171.482 0.300 . 1 . . . . 104 GLY C . 10008 1 1168 . 1 1 104 104 GLY CA C 13 43.886 0.300 . 1 . . . . 104 GLY CA . 10008 1 1169 . 1 1 104 104 GLY N N 15 111.155 0.300 . 1 . . . . 104 GLY N . 10008 1 1170 . 1 1 105 105 PRO HA H 1 4.428 0.030 . 1 . . . . 105 PRO HA . 10008 1 1171 . 1 1 105 105 PRO HB2 H 1 2.318 0.030 . 2 . . . . 105 PRO HB2 . 10008 1 1172 . 1 1 105 105 PRO HB3 H 1 1.890 0.030 . 2 . . . . 105 PRO HB3 . 10008 1 1173 . 1 1 105 105 PRO HG2 H 1 2.054 0.030 . 2 . . . . 105 PRO HG2 . 10008 1 1174 . 1 1 105 105 PRO HG3 H 1 1.965 0.030 . 2 . . . . 105 PRO HG3 . 10008 1 1175 . 1 1 105 105 PRO HD2 H 1 3.831 0.030 . 2 . . . . 105 PRO HD2 . 10008 1 1176 . 1 1 105 105 PRO HD3 H 1 3.577 0.030 . 2 . . . . 105 PRO HD3 . 10008 1 1177 . 1 1 105 105 PRO C C 13 176.190 0.300 . 1 . . . . 105 PRO C . 10008 1 1178 . 1 1 105 105 PRO CA C 13 62.175 0.300 . 1 . . . . 105 PRO CA . 10008 1 1179 . 1 1 105 105 PRO CB C 13 32.523 0.300 . 1 . . . . 105 PRO CB . 10008 1 1180 . 1 1 105 105 PRO CG C 13 27.078 0.300 . 1 . . . . 105 PRO CG . 10008 1 1181 . 1 1 105 105 PRO CD C 13 49.768 0.300 . 1 . . . . 105 PRO CD . 10008 1 1182 . 1 1 106 106 ALA H H 1 8.294 0.030 . 1 . . . . 106 ALA H . 10008 1 1183 . 1 1 106 106 ALA HA H 1 4.879 0.030 . 1 . . . . 106 ALA HA . 10008 1 1184 . 1 1 106 106 ALA HB1 H 1 1.040 0.030 . 1 . . . . 106 ALA HB . 10008 1 1185 . 1 1 106 106 ALA HB2 H 1 1.040 0.030 . 1 . . . . 106 ALA HB . 10008 1 1186 . 1 1 106 106 ALA HB3 H 1 1.040 0.030 . 1 . . . . 106 ALA HB . 10008 1 1187 . 1 1 106 106 ALA C C 13 179.243 0.300 . 1 . . . . 106 ALA C . 10008 1 1188 . 1 1 106 106 ALA CA C 13 50.362 0.300 . 1 . . . . 106 ALA CA . 10008 1 1189 . 1 1 106 106 ALA CB C 13 20.050 0.300 . 1 . . . . 106 ALA CB . 10008 1 1190 . 1 1 106 106 ALA N N 15 121.205 0.300 . 1 . . . . 106 ALA N . 10008 1 1191 . 1 1 107 107 THR H H 1 8.916 0.030 . 1 . . . . 107 THR H . 10008 1 1192 . 1 1 107 107 THR HA H 1 4.494 0.030 . 1 . . . . 107 THR HA . 10008 1 1193 . 1 1 107 107 THR HB H 1 3.867 0.030 . 1 . . . . 107 THR HB . 10008 1 1194 . 1 1 107 107 THR HG21 H 1 1.147 0.030 . 1 . . . . 107 THR HG2 . 10008 1 1195 . 1 1 107 107 THR HG22 H 1 1.147 0.030 . 1 . . . . 107 THR HG2 . 10008 1 1196 . 1 1 107 107 THR HG23 H 1 1.147 0.030 . 1 . . . . 107 THR HG2 . 10008 1 1197 . 1 1 107 107 THR C C 13 172.580 0.300 . 1 . . . . 107 THR C . 10008 1 1198 . 1 1 107 107 THR CA C 13 61.542 0.300 . 1 . . . . 107 THR CA . 10008 1 1199 . 1 1 107 107 THR CB C 13 69.870 0.300 . 1 . . . . 107 THR CB . 10008 1 1200 . 1 1 107 107 THR CG2 C 13 22.435 0.300 . 1 . . . . 107 THR CG2 . 10008 1 1201 . 1 1 107 107 THR N N 15 119.249 0.300 . 1 . . . . 107 THR N . 10008 1 1202 . 1 1 108 108 GLN H H 1 8.814 0.030 . 1 . . . . 108 GLN H . 10008 1 1203 . 1 1 108 108 GLN HA H 1 5.468 0.030 . 1 . . . . 108 GLN HA . 10008 1 1204 . 1 1 108 108 GLN HB2 H 1 2.097 0.030 . 2 . . . . 108 GLN HB2 . 10008 1 1205 . 1 1 108 108 GLN HB3 H 1 1.892 0.030 . 2 . . . . 108 GLN HB3 . 10008 1 1206 . 1 1 108 108 GLN HG2 H 1 2.212 0.030 . 2 . . . . 108 GLN HG2 . 10008 1 1207 . 1 1 108 108 GLN HG3 H 1 2.165 0.030 . 2 . . . . 108 GLN HG3 . 10008 1 1208 . 1 1 108 108 GLN HE21 H 1 7.609 0.030 . 2 . . . . 108 GLN HE21 . 10008 1 1209 . 1 1 108 108 GLN HE22 H 1 6.985 0.030 . 2 . . . . 108 GLN HE22 . 10008 1 1210 . 1 1 108 108 GLN C C 13 174.643 0.300 . 1 . . . . 108 GLN C . 10008 1 1211 . 1 1 108 108 GLN CA C 13 54.557 0.300 . 1 . . . . 108 GLN CA . 10008 1 1212 . 1 1 108 108 GLN CB C 13 32.160 0.300 . 1 . . . . 108 GLN CB . 10008 1 1213 . 1 1 108 108 GLN CG C 13 35.741 0.300 . 1 . . . . 108 GLN CG . 10008 1 1214 . 1 1 108 108 GLN N N 15 129.113 0.300 . 1 . . . . 108 GLN N . 10008 1 1215 . 1 1 108 108 GLN NE2 N 15 112.365 0.300 . 1 . . . . 108 GLN NE2 . 10008 1 1216 . 1 1 109 109 ILE H H 1 9.050 0.030 . 1 . . . . 109 ILE H . 10008 1 1217 . 1 1 109 109 ILE HA H 1 4.760 0.030 . 1 . . . . 109 ILE HA . 10008 1 1218 . 1 1 109 109 ILE HB H 1 1.839 0.030 . 1 . . . . 109 ILE HB . 10008 1 1219 . 1 1 109 109 ILE HG12 H 1 1.190 0.030 . 2 . . . . 109 ILE HG12 . 10008 1 1220 . 1 1 109 109 ILE HG13 H 1 1.584 0.030 . 2 . . . . 109 ILE HG13 . 10008 1 1221 . 1 1 109 109 ILE HG21 H 1 0.976 0.030 . 1 . . . . 109 ILE HG2 . 10008 1 1222 . 1 1 109 109 ILE HG22 H 1 0.976 0.030 . 1 . . . . 109 ILE HG2 . 10008 1 1223 . 1 1 109 109 ILE HG23 H 1 0.976 0.030 . 1 . . . . 109 ILE HG2 . 10008 1 1224 . 1 1 109 109 ILE HD11 H 1 0.870 0.030 . 1 . . . . 109 ILE HD1 . 10008 1 1225 . 1 1 109 109 ILE HD12 H 1 0.870 0.030 . 1 . . . . 109 ILE HD1 . 10008 1 1226 . 1 1 109 109 ILE HD13 H 1 0.870 0.030 . 1 . . . . 109 ILE HD1 . 10008 1 1227 . 1 1 109 109 ILE C C 13 173.096 0.300 . 1 . . . . 109 ILE C . 10008 1 1228 . 1 1 109 109 ILE CA C 13 59.188 0.300 . 1 . . . . 109 ILE CA . 10008 1 1229 . 1 1 109 109 ILE CB C 13 41.964 0.300 . 1 . . . . 109 ILE CB . 10008 1 1230 . 1 1 109 109 ILE CG1 C 13 28.063 0.300 . 1 . . . . 109 ILE CG1 . 10008 1 1231 . 1 1 109 109 ILE CG2 C 13 17.881 0.300 . 1 . . . . 109 ILE CG2 . 10008 1 1232 . 1 1 109 109 ILE CD1 C 13 14.116 0.300 . 1 . . . . 109 ILE CD1 . 10008 1 1233 . 1 1 109 109 ILE N N 15 125.292 0.300 . 1 . . . . 109 ILE N . 10008 1 1234 . 1 1 110 110 ARG H H 1 8.534 0.030 . 1 . . . . 110 ARG H . 10008 1 1235 . 1 1 110 110 ARG HA H 1 5.135 0.030 . 1 . . . . 110 ARG HA . 10008 1 1236 . 1 1 110 110 ARG HB2 H 1 1.805 0.030 . 2 . . . . 110 ARG HB2 . 10008 1 1237 . 1 1 110 110 ARG HB3 H 1 1.596 0.030 . 2 . . . . 110 ARG HB3 . 10008 1 1238 . 1 1 110 110 ARG HG2 H 1 1.750 0.030 . 2 . . . . 110 ARG HG2 . 10008 1 1239 . 1 1 110 110 ARG HG3 H 1 1.453 0.030 . 2 . . . . 110 ARG HG3 . 10008 1 1240 . 1 1 110 110 ARG HD2 H 1 3.341 0.030 . 2 . . . . 110 ARG HD2 . 10008 1 1241 . 1 1 110 110 ARG HD3 H 1 3.172 0.030 . 2 . . . . 110 ARG HD3 . 10008 1 1242 . 1 1 110 110 ARG C C 13 175.026 0.300 . 1 . . . . 110 ARG C . 10008 1 1243 . 1 1 110 110 ARG CA C 13 54.849 0.300 . 1 . . . . 110 ARG CA . 10008 1 1244 . 1 1 110 110 ARG CB C 13 31.931 0.300 . 1 . . . . 110 ARG CB . 10008 1 1245 . 1 1 110 110 ARG CG C 13 28.555 0.300 . 1 . . . . 110 ARG CG . 10008 1 1246 . 1 1 110 110 ARG CD C 13 43.420 0.300 . 1 . . . . 110 ARG CD . 10008 1 1247 . 1 1 110 110 ARG N N 15 124.374 0.300 . 1 . . . . 110 ARG N . 10008 1 1248 . 1 1 111 111 TRP H H 1 9.828 0.030 . 1 . . . . 111 TRP H . 10008 1 1249 . 1 1 111 111 TRP HA H 1 5.217 0.030 . 1 . . . . 111 TRP HA . 10008 1 1250 . 1 1 111 111 TRP HB2 H 1 3.527 0.030 . 2 . . . . 111 TRP HB2 . 10008 1 1251 . 1 1 111 111 TRP HB3 H 1 3.002 0.030 . 2 . . . . 111 TRP HB3 . 10008 1 1252 . 1 1 111 111 TRP HD1 H 1 7.342 0.030 . 1 . . . . 111 TRP HD1 . 10008 1 1253 . 1 1 111 111 TRP HE1 H 1 10.256 0.030 . 1 . . . . 111 TRP HE1 . 10008 1 1254 . 1 1 111 111 TRP HE3 H 1 7.566 0.030 . 1 . . . . 111 TRP HE3 . 10008 1 1255 . 1 1 111 111 TRP HZ2 H 1 7.427 0.030 . 1 . . . . 111 TRP HZ2 . 10008 1 1256 . 1 1 111 111 TRP HZ3 H 1 7.148 0.030 . 1 . . . . 111 TRP HZ3 . 10008 1 1257 . 1 1 111 111 TRP HH2 H 1 7.209 0.030 . 1 . . . . 111 TRP HH2 . 10008 1 1258 . 1 1 111 111 TRP C C 13 175.482 0.300 . 1 . . . . 111 TRP C . 10008 1 1259 . 1 1 111 111 TRP CA C 13 55.186 0.300 . 1 . . . . 111 TRP CA . 10008 1 1260 . 1 1 111 111 TRP CB C 13 30.363 0.300 . 1 . . . . 111 TRP CB . 10008 1 1261 . 1 1 111 111 TRP CD1 C 13 126.959 0.300 . 1 . . . . 111 TRP CD1 . 10008 1 1262 . 1 1 111 111 TRP CE3 C 13 120.402 0.300 . 1 . . . . 111 TRP CE3 . 10008 1 1263 . 1 1 111 111 TRP CZ2 C 13 114.509 0.300 . 1 . . . . 111 TRP CZ2 . 10008 1 1264 . 1 1 111 111 TRP CZ3 C 13 121.651 0.300 . 1 . . . . 111 TRP CZ3 . 10008 1 1265 . 1 1 111 111 TRP CH2 C 13 124.617 0.300 . 1 . . . . 111 TRP CH2 . 10008 1 1266 . 1 1 111 111 TRP N N 15 126.582 0.300 . 1 . . . . 111 TRP N . 10008 1 1267 . 1 1 111 111 TRP NE1 N 15 130.221 0.300 . 1 . . . . 111 TRP NE1 . 10008 1 1268 . 1 1 112 112 LEU H H 1 8.444 0.030 . 1 . . . . 112 LEU H . 10008 1 1269 . 1 1 112 112 LEU HA H 1 4.286 0.030 . 1 . . . . 112 LEU HA . 10008 1 1270 . 1 1 112 112 LEU HB2 H 1 1.599 0.030 . 2 . . . . 112 LEU HB2 . 10008 1 1271 . 1 1 112 112 LEU HB3 H 1 1.368 0.030 . 2 . . . . 112 LEU HB3 . 10008 1 1272 . 1 1 112 112 LEU HG H 1 1.694 0.030 . 1 . . . . 112 LEU HG . 10008 1 1273 . 1 1 112 112 LEU HD11 H 1 0.894 0.030 . 1 . . . . 112 LEU HD1 . 10008 1 1274 . 1 1 112 112 LEU HD12 H 1 0.894 0.030 . 1 . . . . 112 LEU HD1 . 10008 1 1275 . 1 1 112 112 LEU HD13 H 1 0.894 0.030 . 1 . . . . 112 LEU HD1 . 10008 1 1276 . 1 1 112 112 LEU HD21 H 1 0.764 0.030 . 1 . . . . 112 LEU HD2 . 10008 1 1277 . 1 1 112 112 LEU HD22 H 1 0.764 0.030 . 1 . . . . 112 LEU HD2 . 10008 1 1278 . 1 1 112 112 LEU HD23 H 1 0.764 0.030 . 1 . . . . 112 LEU HD2 . 10008 1 1279 . 1 1 112 112 LEU C C 13 176.543 0.300 . 1 . . . . 112 LEU C . 10008 1 1280 . 1 1 112 112 LEU CA C 13 55.682 0.300 . 1 . . . . 112 LEU CA . 10008 1 1281 . 1 1 112 112 LEU CB C 13 41.097 0.300 . 1 . . . . 112 LEU CB . 10008 1 1282 . 1 1 112 112 LEU CG C 13 27.250 0.300 . 1 . . . . 112 LEU CG . 10008 1 1283 . 1 1 112 112 LEU CD1 C 13 25.299 0.300 . 1 . . . . 112 LEU CD1 . 10008 1 1284 . 1 1 112 112 LEU CD2 C 13 23.765 0.300 . 1 . . . . 112 LEU CD2 . 10008 1 1285 . 1 1 112 112 LEU N N 15 130.069 0.300 . 1 . . . . 112 LEU N . 10008 1 1286 . 1 1 113 113 GLN H H 1 7.917 0.030 . 1 . . . . 113 GLN H . 10008 1 1287 . 1 1 113 113 GLN HA H 1 3.839 0.030 . 1 . . . . 113 GLN HA . 10008 1 1288 . 1 1 113 113 GLN HB2 H 1 1.935 0.030 . 2 . . . . 113 GLN HB2 . 10008 1 1289 . 1 1 113 113 GLN HB3 H 1 1.578 0.030 . 2 . . . . 113 GLN HB3 . 10008 1 1290 . 1 1 113 113 GLN HG2 H 1 1.996 0.030 . 1 . . . . 113 GLN HG2 . 10008 1 1291 . 1 1 113 113 GLN HG3 H 1 1.996 0.030 . 1 . . . . 113 GLN HG3 . 10008 1 1292 . 1 1 113 113 GLN HE21 H 1 6.513 0.030 . 1 . . . . 113 GLN HE21 . 10008 1 1293 . 1 1 113 113 GLN HE22 H 1 6.513 0.030 . 1 . . . . 113 GLN HE22 . 10008 1 1294 . 1 1 113 113 GLN C C 13 176.094 0.300 . 1 . . . . 113 GLN C . 10008 1 1295 . 1 1 113 113 GLN CA C 13 54.629 0.300 . 1 . . . . 113 GLN CA . 10008 1 1296 . 1 1 113 113 GLN CB C 13 30.390 0.300 . 1 . . . . 113 GLN CB . 10008 1 1297 . 1 1 113 113 GLN CG C 13 33.816 0.300 . 1 . . . . 113 GLN CG . 10008 1 1298 . 1 1 113 113 GLN N N 15 120.234 0.300 . 1 . . . . 113 GLN N . 10008 1 1299 . 1 1 113 113 GLN NE2 N 15 111.674 0.300 . 1 . . . . 113 GLN NE2 . 10008 1 1300 . 1 1 114 114 GLY H H 1 8.279 0.030 . 1 . . . . 114 GLY H . 10008 1 1301 . 1 1 114 114 GLY CA C 13 45.194 0.300 . 1 . . . . 114 GLY CA . 10008 1 1302 . 1 1 114 114 GLY N N 15 109.687 0.300 . 1 . . . . 114 GLY N . 10008 1 stop_ save_