data_10254 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10254 _Entry.Title ; Solution structure of the C-terminal PH domain of FYVE, RhoGEF and PH domain containing protein 3 (FGD3) from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-20 _Entry.Accession_date 2008-11-20 _Entry.Last_release_date 2009-11-20 _Entry.Original_release_date 2009-11-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10254 2 T. Tomizawa . . . 10254 3 N. Tochio . . . 10254 4 Y. Muto . . . 10254 5 S. Koshiba . . . 10254 6 M. Inoue . . . 10254 7 T. Kigawa . . . 10254 8 S. Yokoyama . . . 10254 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 10254 '15N chemical shifts' 108 10254 '1H chemical shifts' 711 10254 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 . . 2009-11-20 2008-11-20 original author . 10254 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2COC 'BMRB Entry Tracking System' 10254 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10254 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the C-terminal PH domain of FYVE, RhoGEF and PH domain containing protein 3 (FGD3) from human ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10254 1 2 T. Tomizawa . . . 10254 1 3 N. Tochio . . . 10254 1 4 Y. Muto . . . 10254 1 5 S. Koshiba . . . 10254 1 6 M. Inoue . . . 10254 1 7 T. Kigawa . . . 10254 1 8 S. Yokoyama . . . 10254 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10254 _Assembly.ID 1 _Assembly.Name 'FYVE, RhoGEF and PH domain containing protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity_1 . . yes native no no . . . 10254 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2COC . . . . . . 10254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10254 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH 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 ; GSSGSSGSLLCGPLRLSESG ETWSEVWAAIPMSDPQVLHL QGGSQDGRLPRTIPLPSCKL SVPDPEERLDSGHVWKLQWA KQSWYLSASSAELQQQWLET LSTAAHSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2COC . "Solution Structure Of The C-Terminal Ph Domain Of Fyve, Rhogef And Ph Domain Containing Protein 3 (Fgd3) From Human" . . . . . 100.00 112 100.00 100.00 2.68e-70 . . . . 10254 1 2 no DBJ BAF85365 . "unnamed protein product [Homo sapiens]" . . . . . 88.39 724 100.00 100.00 3.05e-59 . . . . 10254 1 3 no DBJ BAG63386 . "unnamed protein product [Homo sapiens]" . . . . . 88.39 328 100.00 100.00 5.29e-62 . . . . 10254 1 4 no DBJ BAK63162 . "FYVE, RhoGEF and PH domain-containing protein 3 [Pan troglodytes]" . . . . . 88.39 328 97.98 100.00 6.36e-61 . . . . 10254 1 5 no EMBL CAH92885 . "hypothetical protein [Pongo abelii]" . . . . . 88.39 737 96.97 97.98 1.10e-55 . . . . 10254 1 6 no GB AAH32429 . "FGD3 protein [Homo sapiens]" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 7 no GB AAI11055 . "FGD3 protein [Homo sapiens]" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 8 no GB ACE86816 . "FYVE, RhoGEF and PH domain containing 3 protein [synthetic construct]" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 9 no GB ACE87503 . "FYVE, RhoGEF and PH domain containing 3 protein [synthetic construct]" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 10 no GB EAW62840 . "FYVE, RhoGEF and PH domain containing 3, isoform CRA_a [Homo sapiens]" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 11 no REF NP_001077005 . "FYVE, RhoGEF and PH domain-containing protein 3 isoform a [Homo sapiens]" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 12 no REF NP_001126690 . "FYVE, RhoGEF and PH domain-containing protein 3 [Pongo abelii]" . . . . . 88.39 737 96.97 97.98 1.10e-55 . . . . 10254 1 13 no REF NP_001273922 . "FYVE, RhoGEF and PH domain-containing protein 3 isoform b [Homo sapiens]" . . . . . 88.39 724 100.00 100.00 3.31e-59 . . . . 10254 1 14 no REF NP_149077 . "FYVE, RhoGEF and PH domain-containing protein 3 isoform a [Homo sapiens]" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 15 no REF XP_003807897 . "PREDICTED: FYVE, RhoGEF and PH domain-containing protein 3 isoform X1 [Pan paniscus]" . . . . . 88.39 725 96.97 97.98 2.85e-57 . . . . 10254 1 16 no SP Q5JSP0 . "RecName: Full=FYVE, RhoGEF and PH domain-containing protein 3; AltName: Full=Zinc finger FYVE domain-containing protein 5" . . . . . 88.39 725 100.00 100.00 3.24e-59 . . . . 10254 1 17 no SP Q5R5T1 . "RecName: Full=FYVE, RhoGEF and PH domain-containing protein 3" . . . . . 88.39 737 96.97 97.98 1.10e-55 . . . . 10254 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10254 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 . 10254 1 2 . SER . 10254 1 3 . SER . 10254 1 4 . GLY . 10254 1 5 . SER . 10254 1 6 . SER . 10254 1 7 . GLY . 10254 1 8 . SER . 10254 1 9 . LEU . 10254 1 10 . LEU . 10254 1 11 . CYS . 10254 1 12 . GLY . 10254 1 13 . PRO . 10254 1 14 . LEU . 10254 1 15 . ARG . 10254 1 16 . LEU . 10254 1 17 . SER . 10254 1 18 . GLU . 10254 1 19 . SER . 10254 1 20 . GLY . 10254 1 21 . GLU . 10254 1 22 . THR . 10254 1 23 . TRP . 10254 1 24 . SER . 10254 1 25 . GLU . 10254 1 26 . VAL . 10254 1 27 . TRP . 10254 1 28 . ALA . 10254 1 29 . ALA . 10254 1 30 . ILE . 10254 1 31 . PRO . 10254 1 32 . MET . 10254 1 33 . SER . 10254 1 34 . ASP . 10254 1 35 . PRO . 10254 1 36 . GLN . 10254 1 37 . VAL . 10254 1 38 . LEU . 10254 1 39 . HIS . 10254 1 40 . LEU . 10254 1 41 . GLN . 10254 1 42 . GLY . 10254 1 43 . GLY . 10254 1 44 . SER . 10254 1 45 . GLN . 10254 1 46 . ASP . 10254 1 47 . GLY . 10254 1 48 . ARG . 10254 1 49 . LEU . 10254 1 50 . PRO . 10254 1 51 . ARG . 10254 1 52 . THR . 10254 1 53 . ILE . 10254 1 54 . PRO . 10254 1 55 . LEU . 10254 1 56 . PRO . 10254 1 57 . SER . 10254 1 58 . CYS . 10254 1 59 . LYS . 10254 1 60 . LEU . 10254 1 61 . SER . 10254 1 62 . VAL . 10254 1 63 . PRO . 10254 1 64 . ASP . 10254 1 65 . PRO . 10254 1 66 . GLU . 10254 1 67 . GLU . 10254 1 68 . ARG . 10254 1 69 . LEU . 10254 1 70 . ASP . 10254 1 71 . SER . 10254 1 72 . GLY . 10254 1 73 . HIS . 10254 1 74 . VAL . 10254 1 75 . TRP . 10254 1 76 . LYS . 10254 1 77 . LEU . 10254 1 78 . GLN . 10254 1 79 . TRP . 10254 1 80 . ALA . 10254 1 81 . LYS . 10254 1 82 . GLN . 10254 1 83 . SER . 10254 1 84 . TRP . 10254 1 85 . TYR . 10254 1 86 . LEU . 10254 1 87 . SER . 10254 1 88 . ALA . 10254 1 89 . SER . 10254 1 90 . SER . 10254 1 91 . ALA . 10254 1 92 . GLU . 10254 1 93 . LEU . 10254 1 94 . GLN . 10254 1 95 . GLN . 10254 1 96 . GLN . 10254 1 97 . TRP . 10254 1 98 . LEU . 10254 1 99 . GLU . 10254 1 100 . THR . 10254 1 101 . LEU . 10254 1 102 . SER . 10254 1 103 . THR . 10254 1 104 . ALA . 10254 1 105 . ALA . 10254 1 106 . HIS . 10254 1 107 . SER . 10254 1 108 . GLY . 10254 1 109 . PRO . 10254 1 110 . SER . 10254 1 111 . SER . 10254 1 112 . GLY . 10254 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 10254 1 . SER 2 2 10254 1 . SER 3 3 10254 1 . GLY 4 4 10254 1 . SER 5 5 10254 1 . SER 6 6 10254 1 . GLY 7 7 10254 1 . SER 8 8 10254 1 . LEU 9 9 10254 1 . LEU 10 10 10254 1 . CYS 11 11 10254 1 . GLY 12 12 10254 1 . PRO 13 13 10254 1 . LEU 14 14 10254 1 . ARG 15 15 10254 1 . LEU 16 16 10254 1 . SER 17 17 10254 1 . GLU 18 18 10254 1 . SER 19 19 10254 1 . GLY 20 20 10254 1 . GLU 21 21 10254 1 . THR 22 22 10254 1 . TRP 23 23 10254 1 . SER 24 24 10254 1 . GLU 25 25 10254 1 . VAL 26 26 10254 1 . TRP 27 27 10254 1 . ALA 28 28 10254 1 . ALA 29 29 10254 1 . ILE 30 30 10254 1 . PRO 31 31 10254 1 . MET 32 32 10254 1 . SER 33 33 10254 1 . ASP 34 34 10254 1 . PRO 35 35 10254 1 . GLN 36 36 10254 1 . VAL 37 37 10254 1 . LEU 38 38 10254 1 . HIS 39 39 10254 1 . LEU 40 40 10254 1 . GLN 41 41 10254 1 . GLY 42 42 10254 1 . GLY 43 43 10254 1 . SER 44 44 10254 1 . GLN 45 45 10254 1 . ASP 46 46 10254 1 . GLY 47 47 10254 1 . ARG 48 48 10254 1 . LEU 49 49 10254 1 . PRO 50 50 10254 1 . ARG 51 51 10254 1 . THR 52 52 10254 1 . ILE 53 53 10254 1 . PRO 54 54 10254 1 . LEU 55 55 10254 1 . PRO 56 56 10254 1 . SER 57 57 10254 1 . CYS 58 58 10254 1 . LYS 59 59 10254 1 . LEU 60 60 10254 1 . SER 61 61 10254 1 . VAL 62 62 10254 1 . PRO 63 63 10254 1 . ASP 64 64 10254 1 . PRO 65 65 10254 1 . GLU 66 66 10254 1 . GLU 67 67 10254 1 . ARG 68 68 10254 1 . LEU 69 69 10254 1 . ASP 70 70 10254 1 . SER 71 71 10254 1 . GLY 72 72 10254 1 . HIS 73 73 10254 1 . VAL 74 74 10254 1 . TRP 75 75 10254 1 . LYS 76 76 10254 1 . LEU 77 77 10254 1 . GLN 78 78 10254 1 . TRP 79 79 10254 1 . ALA 80 80 10254 1 . LYS 81 81 10254 1 . GLN 82 82 10254 1 . SER 83 83 10254 1 . TRP 84 84 10254 1 . TYR 85 85 10254 1 . LEU 86 86 10254 1 . SER 87 87 10254 1 . ALA 88 88 10254 1 . SER 89 89 10254 1 . SER 90 90 10254 1 . ALA 91 91 10254 1 . GLU 92 92 10254 1 . LEU 93 93 10254 1 . GLN 94 94 10254 1 . GLN 95 95 10254 1 . GLN 96 96 10254 1 . TRP 97 97 10254 1 . LEU 98 98 10254 1 . GLU 99 99 10254 1 . THR 100 100 10254 1 . LEU 101 101 10254 1 . SER 102 102 10254 1 . THR 103 103 10254 1 . ALA 104 104 10254 1 . ALA 105 105 10254 1 . HIS 106 106 10254 1 . SER 107 107 10254 1 . GLY 108 108 10254 1 . PRO 109 109 10254 1 . SER 110 110 10254 1 . SER 111 111 10254 1 . GLY 112 112 10254 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 10254 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10254 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 10254 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050125-03 . . . . . . 10254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10254 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.20 . . mM . . . . 10254 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10254 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10254 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10254 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10254 1 6 H2O . . . . . . solvent 90 . . % . . . . 10254 1 7 D2O . . . . . . solvent 10 . . % . . . . 10254 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 10254 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10254 1 pH 7.0 0.05 pH 10254 1 pressure 1 0.001 atm 10254 1 temperature 296 0.1 K 10254 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10254 _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 . . 10254 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10254 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10254 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10254 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10254 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10254 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10254 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10254 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10254 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10254 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10254 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10254 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10254 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10254 5 'structure solution' 10254 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 10254 _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_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10254 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10254 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10254 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10254 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10254 1 stop_ 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 10254 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10254 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10254 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10254 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10254 _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 10254 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10254 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 8 8 SER HA H 1 5.012 0.030 . 1 . . . . 8 SER HA . 10254 1 2 . 1 1 8 8 SER HB2 H 1 3.632 0.030 . 1 . . . . 8 SER HB2 . 10254 1 3 . 1 1 8 8 SER HB3 H 1 3.632 0.030 . 1 . . . . 8 SER HB3 . 10254 1 4 . 1 1 8 8 SER CA C 13 58.166 0.300 . 1 . . . . 8 SER CA . 10254 1 5 . 1 1 8 8 SER CB C 13 64.582 0.300 . 1 . . . . 8 SER CB . 10254 1 6 . 1 1 9 9 LEU H H 1 9.253 0.030 . 1 . . . . 9 LEU H . 10254 1 7 . 1 1 9 9 LEU HA H 1 4.091 0.030 . 1 . . . . 9 LEU HA . 10254 1 8 . 1 1 9 9 LEU HB2 H 1 1.432 0.030 . 2 . . . . 9 LEU HB2 . 10254 1 9 . 1 1 9 9 LEU HB3 H 1 1.463 0.030 . 2 . . . . 9 LEU HB3 . 10254 1 10 . 1 1 9 9 LEU HD11 H 1 0.842 0.030 . 1 . . . . 9 LEU HD1 . 10254 1 11 . 1 1 9 9 LEU HD12 H 1 0.842 0.030 . 1 . . . . 9 LEU HD1 . 10254 1 12 . 1 1 9 9 LEU HD13 H 1 0.842 0.030 . 1 . . . . 9 LEU HD1 . 10254 1 13 . 1 1 9 9 LEU HD21 H 1 0.902 0.030 . 1 . . . . 9 LEU HD2 . 10254 1 14 . 1 1 9 9 LEU HD22 H 1 0.902 0.030 . 1 . . . . 9 LEU HD2 . 10254 1 15 . 1 1 9 9 LEU HD23 H 1 0.902 0.030 . 1 . . . . 9 LEU HD2 . 10254 1 16 . 1 1 9 9 LEU HG H 1 1.432 0.030 . 1 . . . . 9 LEU HG . 10254 1 17 . 1 1 9 9 LEU C C 13 176.799 0.300 . 1 . . . . 9 LEU C . 10254 1 18 . 1 1 9 9 LEU CA C 13 57.523 0.300 . 1 . . . . 9 LEU CA . 10254 1 19 . 1 1 9 9 LEU CB C 13 42.703 0.300 . 1 . . . . 9 LEU CB . 10254 1 20 . 1 1 9 9 LEU CD1 C 13 24.983 0.300 . 2 . . . . 9 LEU CD1 . 10254 1 21 . 1 1 9 9 LEU CD2 C 13 24.354 0.300 . 2 . . . . 9 LEU CD2 . 10254 1 22 . 1 1 9 9 LEU CG C 13 27.664 0.300 . 1 . . . . 9 LEU CG . 10254 1 23 . 1 1 9 9 LEU N N 15 127.432 0.300 . 1 . . . . 9 LEU N . 10254 1 24 . 1 1 10 10 LEU H H 1 6.827 0.030 . 1 . . . . 10 LEU H . 10254 1 25 . 1 1 10 10 LEU HA H 1 4.201 0.030 . 1 . . . . 10 LEU HA . 10254 1 26 . 1 1 10 10 LEU HB2 H 1 1.062 0.030 . 2 . . . . 10 LEU HB2 . 10254 1 27 . 1 1 10 10 LEU HB3 H 1 0.723 0.030 . 2 . . . . 10 LEU HB3 . 10254 1 28 . 1 1 10 10 LEU HD11 H 1 0.401 0.030 . 1 . . . . 10 LEU HD1 . 10254 1 29 . 1 1 10 10 LEU HD12 H 1 0.401 0.030 . 1 . . . . 10 LEU HD1 . 10254 1 30 . 1 1 10 10 LEU HD13 H 1 0.401 0.030 . 1 . . . . 10 LEU HD1 . 10254 1 31 . 1 1 10 10 LEU HD21 H 1 -0.596 0.030 . 1 . . . . 10 LEU HD2 . 10254 1 32 . 1 1 10 10 LEU HD22 H 1 -0.596 0.030 . 1 . . . . 10 LEU HD2 . 10254 1 33 . 1 1 10 10 LEU HD23 H 1 -0.596 0.030 . 1 . . . . 10 LEU HD2 . 10254 1 34 . 1 1 10 10 LEU HG H 1 0.169 0.030 . 1 . . . . 10 LEU HG . 10254 1 35 . 1 1 10 10 LEU C C 13 173.779 0.300 . 1 . . . . 10 LEU C . 10254 1 36 . 1 1 10 10 LEU CA C 13 54.399 0.300 . 1 . . . . 10 LEU CA . 10254 1 37 . 1 1 10 10 LEU CB C 13 45.006 0.300 . 1 . . . . 10 LEU CB . 10254 1 38 . 1 1 10 10 LEU CD1 C 13 22.059 0.300 . 2 . . . . 10 LEU CD1 . 10254 1 39 . 1 1 10 10 LEU CD2 C 13 24.644 0.300 . 2 . . . . 10 LEU CD2 . 10254 1 40 . 1 1 10 10 LEU CG C 13 26.994 0.300 . 1 . . . . 10 LEU CG . 10254 1 41 . 1 1 10 10 LEU N N 15 116.105 0.300 . 1 . . . . 10 LEU N . 10254 1 42 . 1 1 11 11 CYS H H 1 7.989 0.030 . 1 . . . . 11 CYS H . 10254 1 43 . 1 1 11 11 CYS HA H 1 5.743 0.030 . 1 . . . . 11 CYS HA . 10254 1 44 . 1 1 11 11 CYS HB2 H 1 3.222 0.030 . 2 . . . . 11 CYS HB2 . 10254 1 45 . 1 1 11 11 CYS HB3 H 1 2.995 0.030 . 2 . . . . 11 CYS HB3 . 10254 1 46 . 1 1 11 11 CYS C C 13 172.654 0.300 . 1 . . . . 11 CYS C . 10254 1 47 . 1 1 11 11 CYS CA C 13 55.546 0.300 . 1 . . . . 11 CYS CA . 10254 1 48 . 1 1 11 11 CYS CB C 13 31.333 0.300 . 1 . . . . 11 CYS CB . 10254 1 49 . 1 1 11 11 CYS N N 15 117.939 0.300 . 1 . . . . 11 CYS N . 10254 1 50 . 1 1 12 12 GLY H H 1 8.479 0.030 . 1 . . . . 12 GLY H . 10254 1 51 . 1 1 12 12 GLY HA2 H 1 4.419 0.030 . 2 . . . . 12 GLY HA2 . 10254 1 52 . 1 1 12 12 GLY HA3 H 1 2.832 0.030 . 2 . . . . 12 GLY HA3 . 10254 1 53 . 1 1 12 12 GLY C C 13 168.720 0.300 . 1 . . . . 12 GLY C . 10254 1 54 . 1 1 12 12 GLY CA C 13 44.710 0.300 . 1 . . . . 12 GLY CA . 10254 1 55 . 1 1 12 12 GLY N N 15 109.046 0.300 . 1 . . . . 12 GLY N . 10254 1 56 . 1 1 13 13 PRO HA H 1 5.163 0.030 . 1 . . . . 13 PRO HA . 10254 1 57 . 1 1 13 13 PRO HB2 H 1 2.445 0.030 . 2 . . . . 13 PRO HB2 . 10254 1 58 . 1 1 13 13 PRO HB3 H 1 2.079 0.030 . 2 . . . . 13 PRO HB3 . 10254 1 59 . 1 1 13 13 PRO HD2 H 1 3.636 0.030 . 1 . . . . 13 PRO HD2 . 10254 1 60 . 1 1 13 13 PRO HD3 H 1 3.636 0.030 . 1 . . . . 13 PRO HD3 . 10254 1 61 . 1 1 13 13 PRO HG2 H 1 2.309 0.030 . 2 . . . . 13 PRO HG2 . 10254 1 62 . 1 1 13 13 PRO HG3 H 1 2.246 0.030 . 2 . . . . 13 PRO HG3 . 10254 1 63 . 1 1 13 13 PRO C C 13 177.501 0.300 . 1 . . . . 13 PRO C . 10254 1 64 . 1 1 13 13 PRO CA C 13 62.182 0.300 . 1 . . . . 13 PRO CA . 10254 1 65 . 1 1 13 13 PRO CB C 13 32.587 0.300 . 1 . . . . 13 PRO CB . 10254 1 66 . 1 1 13 13 PRO CD C 13 49.348 0.300 . 1 . . . . 13 PRO CD . 10254 1 67 . 1 1 13 13 PRO CG C 13 27.240 0.300 . 1 . . . . 13 PRO CG . 10254 1 68 . 1 1 14 14 LEU H H 1 8.630 0.030 . 1 . . . . 14 LEU H . 10254 1 69 . 1 1 14 14 LEU HA H 1 4.764 0.030 . 1 . . . . 14 LEU HA . 10254 1 70 . 1 1 14 14 LEU HB2 H 1 1.041 0.030 . 2 . . . . 14 LEU HB2 . 10254 1 71 . 1 1 14 14 LEU HB3 H 1 0.962 0.030 . 2 . . . . 14 LEU HB3 . 10254 1 72 . 1 1 14 14 LEU HD11 H 1 0.563 0.030 . 1 . . . . 14 LEU HD1 . 10254 1 73 . 1 1 14 14 LEU HD12 H 1 0.563 0.030 . 1 . . . . 14 LEU HD1 . 10254 1 74 . 1 1 14 14 LEU HD13 H 1 0.563 0.030 . 1 . . . . 14 LEU HD1 . 10254 1 75 . 1 1 14 14 LEU HD21 H 1 -0.458 0.030 . 1 . . . . 14 LEU HD2 . 10254 1 76 . 1 1 14 14 LEU HD22 H 1 -0.458 0.030 . 1 . . . . 14 LEU HD2 . 10254 1 77 . 1 1 14 14 LEU HD23 H 1 -0.458 0.030 . 1 . . . . 14 LEU HD2 . 10254 1 78 . 1 1 14 14 LEU HG H 1 1.025 0.030 . 1 . . . . 14 LEU HG . 10254 1 79 . 1 1 14 14 LEU C C 13 175.698 0.300 . 1 . . . . 14 LEU C . 10254 1 80 . 1 1 14 14 LEU CA C 13 53.975 0.300 . 1 . . . . 14 LEU CA . 10254 1 81 . 1 1 14 14 LEU CB C 13 48.936 0.300 . 1 . . . . 14 LEU CB . 10254 1 82 . 1 1 14 14 LEU CD1 C 13 23.341 0.300 . 2 . . . . 14 LEU CD1 . 10254 1 83 . 1 1 14 14 LEU CD2 C 13 25.604 0.300 . 2 . . . . 14 LEU CD2 . 10254 1 84 . 1 1 14 14 LEU CG C 13 26.865 0.300 . 1 . . . . 14 LEU CG . 10254 1 85 . 1 1 14 14 LEU N N 15 122.246 0.300 . 1 . . . . 14 LEU N . 10254 1 86 . 1 1 15 15 ARG H H 1 8.498 0.030 . 1 . . . . 15 ARG H . 10254 1 87 . 1 1 15 15 ARG HA H 1 5.421 0.030 . 1 . . . . 15 ARG HA . 10254 1 88 . 1 1 15 15 ARG HB2 H 1 1.892 0.030 . 2 . . . . 15 ARG HB2 . 10254 1 89 . 1 1 15 15 ARG HB3 H 1 1.481 0.030 . 2 . . . . 15 ARG HB3 . 10254 1 90 . 1 1 15 15 ARG HD2 H 1 2.942 0.030 . 2 . . . . 15 ARG HD2 . 10254 1 91 . 1 1 15 15 ARG HD3 H 1 3.172 0.030 . 2 . . . . 15 ARG HD3 . 10254 1 92 . 1 1 15 15 ARG HE H 1 7.537 0.030 . 1 . . . . 15 ARG HE . 10254 1 93 . 1 1 15 15 ARG HG2 H 1 1.518 0.030 . 2 . . . . 15 ARG HG2 . 10254 1 94 . 1 1 15 15 ARG HG3 H 1 1.591 0.030 . 2 . . . . 15 ARG HG3 . 10254 1 95 . 1 1 15 15 ARG C C 13 174.664 0.300 . 1 . . . . 15 ARG C . 10254 1 96 . 1 1 15 15 ARG CA C 13 54.858 0.300 . 1 . . . . 15 ARG CA . 10254 1 97 . 1 1 15 15 ARG CB C 13 34.085 0.300 . 1 . . . . 15 ARG CB . 10254 1 98 . 1 1 15 15 ARG CD C 13 43.773 0.300 . 1 . . . . 15 ARG CD . 10254 1 99 . 1 1 15 15 ARG CG C 13 27.981 0.300 . 1 . . . . 15 ARG CG . 10254 1 100 . 1 1 15 15 ARG N N 15 118.593 0.300 . 1 . . . . 15 ARG N . 10254 1 101 . 1 1 15 15 ARG NE N 15 82.182 0.300 . 1 . . . . 15 ARG NE . 10254 1 102 . 1 1 16 16 LEU H H 1 9.244 0.030 . 1 . . . . 16 LEU H . 10254 1 103 . 1 1 16 16 LEU HA H 1 5.662 0.030 . 1 . . . . 16 LEU HA . 10254 1 104 . 1 1 16 16 LEU HB2 H 1 1.717 0.030 . 2 . . . . 16 LEU HB2 . 10254 1 105 . 1 1 16 16 LEU HB3 H 1 1.331 0.030 . 2 . . . . 16 LEU HB3 . 10254 1 106 . 1 1 16 16 LEU HD11 H 1 0.699 0.030 . 1 . . . . 16 LEU HD1 . 10254 1 107 . 1 1 16 16 LEU HD12 H 1 0.699 0.030 . 1 . . . . 16 LEU HD1 . 10254 1 108 . 1 1 16 16 LEU HD13 H 1 0.699 0.030 . 1 . . . . 16 LEU HD1 . 10254 1 109 . 1 1 16 16 LEU HD21 H 1 0.552 0.030 . 1 . . . . 16 LEU HD2 . 10254 1 110 . 1 1 16 16 LEU HD22 H 1 0.552 0.030 . 1 . . . . 16 LEU HD2 . 10254 1 111 . 1 1 16 16 LEU HD23 H 1 0.552 0.030 . 1 . . . . 16 LEU HD2 . 10254 1 112 . 1 1 16 16 LEU HG H 1 1.662 0.030 . 1 . . . . 16 LEU HG . 10254 1 113 . 1 1 16 16 LEU C C 13 176.872 0.300 . 1 . . . . 16 LEU C . 10254 1 114 . 1 1 16 16 LEU CA C 13 53.746 0.300 . 1 . . . . 16 LEU CA . 10254 1 115 . 1 1 16 16 LEU CB C 13 47.803 0.300 . 1 . . . . 16 LEU CB . 10254 1 116 . 1 1 16 16 LEU CD1 C 13 24.633 0.300 . 2 . . . . 16 LEU CD1 . 10254 1 117 . 1 1 16 16 LEU CD2 C 13 26.700 0.300 . 2 . . . . 16 LEU CD2 . 10254 1 118 . 1 1 16 16 LEU CG C 13 28.310 0.300 . 1 . . . . 16 LEU CG . 10254 1 119 . 1 1 16 16 LEU N N 15 123.893 0.300 . 1 . . . . 16 LEU N . 10254 1 120 . 1 1 17 17 SER H H 1 8.982 0.030 . 1 . . . . 17 SER H . 10254 1 121 . 1 1 17 17 SER HA H 1 4.484 0.030 . 1 . . . . 17 SER HA . 10254 1 122 . 1 1 17 17 SER HB2 H 1 2.064 0.030 . 2 . . . . 17 SER HB2 . 10254 1 123 . 1 1 17 17 SER HB3 H 1 1.654 0.030 . 2 . . . . 17 SER HB3 . 10254 1 124 . 1 1 17 17 SER C C 13 173.790 0.300 . 1 . . . . 17 SER C . 10254 1 125 . 1 1 17 17 SER CA C 13 57.081 0.300 . 1 . . . . 17 SER CA . 10254 1 126 . 1 1 17 17 SER CB C 13 64.487 0.300 . 1 . . . . 17 SER CB . 10254 1 127 . 1 1 17 17 SER N N 15 117.455 0.300 . 1 . . . . 17 SER N . 10254 1 128 . 1 1 18 18 GLU H H 1 9.102 0.030 . 1 . . . . 18 GLU H . 10254 1 129 . 1 1 18 18 GLU HA H 1 3.832 0.030 . 1 . . . . 18 GLU HA . 10254 1 130 . 1 1 18 18 GLU HB2 H 1 1.622 0.030 . 2 . . . . 18 GLU HB2 . 10254 1 131 . 1 1 18 18 GLU HB3 H 1 1.442 0.030 . 2 . . . . 18 GLU HB3 . 10254 1 132 . 1 1 18 18 GLU HG2 H 1 1.411 0.030 . 2 . . . . 18 GLU HG2 . 10254 1 133 . 1 1 18 18 GLU HG3 H 1 1.633 0.030 . 2 . . . . 18 GLU HG3 . 10254 1 134 . 1 1 18 18 GLU C C 13 176.185 0.300 . 1 . . . . 18 GLU C . 10254 1 135 . 1 1 18 18 GLU CA C 13 58.793 0.300 . 1 . . . . 18 GLU CA . 10254 1 136 . 1 1 18 18 GLU CB C 13 30.037 0.300 . 1 . . . . 18 GLU CB . 10254 1 137 . 1 1 18 18 GLU CG C 13 36.249 0.300 . 1 . . . . 18 GLU CG . 10254 1 138 . 1 1 18 18 GLU N N 15 129.354 0.300 . 1 . . . . 18 GLU N . 10254 1 139 . 1 1 19 19 SER H H 1 7.792 0.030 . 1 . . . . 19 SER H . 10254 1 140 . 1 1 19 19 SER HA H 1 4.650 0.030 . 1 . . . . 19 SER HA . 10254 1 141 . 1 1 19 19 SER HB2 H 1 3.972 0.030 . 2 . . . . 19 SER HB2 . 10254 1 142 . 1 1 19 19 SER HB3 H 1 3.683 0.030 . 2 . . . . 19 SER HB3 . 10254 1 143 . 1 1 19 19 SER C C 13 175.321 0.300 . 1 . . . . 19 SER C . 10254 1 144 . 1 1 19 19 SER CA C 13 57.699 0.300 . 1 . . . . 19 SER CA . 10254 1 145 . 1 1 19 19 SER CB C 13 65.816 0.300 . 1 . . . . 19 SER CB . 10254 1 146 . 1 1 19 19 SER N N 15 108.812 0.300 . 1 . . . . 19 SER N . 10254 1 147 . 1 1 20 20 GLY H H 1 8.376 0.030 . 1 . . . . 20 GLY H . 10254 1 148 . 1 1 20 20 GLY HA2 H 1 3.931 0.030 . 2 . . . . 20 GLY HA2 . 10254 1 149 . 1 1 20 20 GLY HA3 H 1 2.690 0.030 . 2 . . . . 20 GLY HA3 . 10254 1 150 . 1 1 20 20 GLY C C 13 172.644 0.300 . 1 . . . . 20 GLY C . 10254 1 151 . 1 1 20 20 GLY CA C 13 44.746 0.300 . 1 . . . . 20 GLY CA . 10254 1 152 . 1 1 20 20 GLY N N 15 111.458 0.300 . 1 . . . . 20 GLY N . 10254 1 153 . 1 1 21 21 GLU H H 1 7.522 0.030 . 1 . . . . 21 GLU H . 10254 1 154 . 1 1 21 21 GLU HA H 1 4.274 0.030 . 1 . . . . 21 GLU HA . 10254 1 155 . 1 1 21 21 GLU HB2 H 1 1.952 0.030 . 2 . . . . 21 GLU HB2 . 10254 1 156 . 1 1 21 21 GLU HB3 H 1 1.822 0.030 . 2 . . . . 21 GLU HB3 . 10254 1 157 . 1 1 21 21 GLU HG2 H 1 2.118 0.030 . 1 . . . . 21 GLU HG2 . 10254 1 158 . 1 1 21 21 GLU HG3 H 1 2.118 0.030 . 1 . . . . 21 GLU HG3 . 10254 1 159 . 1 1 21 21 GLU C C 13 176.266 0.300 . 1 . . . . 21 GLU C . 10254 1 160 . 1 1 21 21 GLU CA C 13 58.069 0.300 . 1 . . . . 21 GLU CA . 10254 1 161 . 1 1 21 21 GLU CB C 13 31.024 0.300 . 1 . . . . 21 GLU CB . 10254 1 162 . 1 1 21 21 GLU CG C 13 36.370 0.300 . 1 . . . . 21 GLU CG . 10254 1 163 . 1 1 21 21 GLU N N 15 119.071 0.300 . 1 . . . . 21 GLU N . 10254 1 164 . 1 1 22 22 THR H H 1 7.436 0.030 . 1 . . . . 22 THR H . 10254 1 165 . 1 1 22 22 THR HA H 1 4.618 0.030 . 1 . . . . 22 THR HA . 10254 1 166 . 1 1 22 22 THR HB H 1 4.050 0.030 . 1 . . . . 22 THR HB . 10254 1 167 . 1 1 22 22 THR HG21 H 1 1.176 0.030 . 1 . . . . 22 THR HG2 . 10254 1 168 . 1 1 22 22 THR HG22 H 1 1.176 0.030 . 1 . . . . 22 THR HG2 . 10254 1 169 . 1 1 22 22 THR HG23 H 1 1.176 0.030 . 1 . . . . 22 THR HG2 . 10254 1 170 . 1 1 22 22 THR C C 13 173.662 0.300 . 1 . . . . 22 THR C . 10254 1 171 . 1 1 22 22 THR CA C 13 60.682 0.300 . 1 . . . . 22 THR CA . 10254 1 172 . 1 1 22 22 THR CB C 13 70.504 0.300 . 1 . . . . 22 THR CB . 10254 1 173 . 1 1 22 22 THR CG2 C 13 21.812 0.300 . 1 . . . . 22 THR CG2 . 10254 1 174 . 1 1 22 22 THR N N 15 111.176 0.300 . 1 . . . . 22 THR N . 10254 1 175 . 1 1 23 23 TRP H H 1 9.121 0.030 . 1 . . . . 23 TRP H . 10254 1 176 . 1 1 23 23 TRP HA H 1 4.983 0.030 . 1 . . . . 23 TRP HA . 10254 1 177 . 1 1 23 23 TRP HB2 H 1 2.912 0.030 . 1 . . . . 23 TRP HB2 . 10254 1 178 . 1 1 23 23 TRP HB3 H 1 2.912 0.030 . 1 . . . . 23 TRP HB3 . 10254 1 179 . 1 1 23 23 TRP HD1 H 1 7.016 0.030 . 1 . . . . 23 TRP HD1 . 10254 1 180 . 1 1 23 23 TRP HE1 H 1 9.470 0.030 . 1 . . . . 23 TRP HE1 . 10254 1 181 . 1 1 23 23 TRP HE3 H 1 7.039 0.030 . 1 . . . . 23 TRP HE3 . 10254 1 182 . 1 1 23 23 TRP HH2 H 1 6.595 0.030 . 1 . . . . 23 TRP HH2 . 10254 1 183 . 1 1 23 23 TRP HZ2 H 1 7.062 0.030 . 1 . . . . 23 TRP HZ2 . 10254 1 184 . 1 1 23 23 TRP HZ3 H 1 6.518 0.030 . 1 . . . . 23 TRP HZ3 . 10254 1 185 . 1 1 23 23 TRP C C 13 175.888 0.300 . 1 . . . . 23 TRP C . 10254 1 186 . 1 1 23 23 TRP CA C 13 56.570 0.300 . 1 . . . . 23 TRP CA . 10254 1 187 . 1 1 23 23 TRP CB C 13 32.176 0.300 . 1 . . . . 23 TRP CB . 10254 1 188 . 1 1 23 23 TRP CD1 C 13 127.732 0.300 . 1 . . . . 23 TRP CD1 . 10254 1 189 . 1 1 23 23 TRP CE3 C 13 120.834 0.300 . 1 . . . . 23 TRP CE3 . 10254 1 190 . 1 1 23 23 TRP CH2 C 13 123.151 0.300 . 1 . . . . 23 TRP CH2 . 10254 1 191 . 1 1 23 23 TRP CZ2 C 13 113.944 0.300 . 1 . . . . 23 TRP CZ2 . 10254 1 192 . 1 1 23 23 TRP CZ3 C 13 122.163 0.300 . 1 . . . . 23 TRP CZ3 . 10254 1 193 . 1 1 23 23 TRP N N 15 127.096 0.300 . 1 . . . . 23 TRP N . 10254 1 194 . 1 1 23 23 TRP NE1 N 15 129.963 0.300 . 1 . . . . 23 TRP NE1 . 10254 1 195 . 1 1 24 24 SER H H 1 9.273 0.030 . 1 . . . . 24 SER H . 10254 1 196 . 1 1 24 24 SER HA H 1 4.948 0.030 . 1 . . . . 24 SER HA . 10254 1 197 . 1 1 24 24 SER HB2 H 1 3.899 0.030 . 2 . . . . 24 SER HB2 . 10254 1 198 . 1 1 24 24 SER HB3 H 1 3.702 0.030 . 2 . . . . 24 SER HB3 . 10254 1 199 . 1 1 24 24 SER C C 13 173.268 0.300 . 1 . . . . 24 SER C . 10254 1 200 . 1 1 24 24 SER CA C 13 57.346 0.300 . 1 . . . . 24 SER CA . 10254 1 201 . 1 1 24 24 SER CB C 13 65.445 0.300 . 1 . . . . 24 SER CB . 10254 1 202 . 1 1 24 24 SER N N 15 118.031 0.300 . 1 . . . . 24 SER N . 10254 1 203 . 1 1 25 25 GLU H H 1 8.990 0.030 . 1 . . . . 25 GLU H . 10254 1 204 . 1 1 25 25 GLU HA H 1 4.737 0.030 . 1 . . . . 25 GLU HA . 10254 1 205 . 1 1 25 25 GLU HB2 H 1 2.191 0.030 . 2 . . . . 25 GLU HB2 . 10254 1 206 . 1 1 25 25 GLU HB3 H 1 2.032 0.030 . 2 . . . . 25 GLU HB3 . 10254 1 207 . 1 1 25 25 GLU HG2 H 1 2.360 0.030 . 2 . . . . 25 GLU HG2 . 10254 1 208 . 1 1 25 25 GLU HG3 H 1 2.305 0.030 . 2 . . . . 25 GLU HG3 . 10254 1 209 . 1 1 25 25 GLU C C 13 176.246 0.300 . 1 . . . . 25 GLU C . 10254 1 210 . 1 1 25 25 GLU CA C 13 57.170 0.300 . 1 . . . . 25 GLU CA . 10254 1 211 . 1 1 25 25 GLU CB C 13 30.202 0.300 . 1 . . . . 25 GLU CB . 10254 1 212 . 1 1 25 25 GLU CG C 13 36.864 0.300 . 1 . . . . 25 GLU CG . 10254 1 213 . 1 1 25 25 GLU N N 15 125.088 0.300 . 1 . . . . 25 GLU N . 10254 1 214 . 1 1 26 26 VAL H H 1 9.012 0.030 . 1 . . . . 26 VAL H . 10254 1 215 . 1 1 26 26 VAL HA H 1 5.002 0.030 . 1 . . . . 26 VAL HA . 10254 1 216 . 1 1 26 26 VAL HB H 1 1.974 0.030 . 1 . . . . 26 VAL HB . 10254 1 217 . 1 1 26 26 VAL HG11 H 1 0.693 0.030 . 1 . . . . 26 VAL HG1 . 10254 1 218 . 1 1 26 26 VAL HG12 H 1 0.693 0.030 . 1 . . . . 26 VAL HG1 . 10254 1 219 . 1 1 26 26 VAL HG13 H 1 0.693 0.030 . 1 . . . . 26 VAL HG1 . 10254 1 220 . 1 1 26 26 VAL HG21 H 1 0.551 0.030 . 1 . . . . 26 VAL HG2 . 10254 1 221 . 1 1 26 26 VAL HG22 H 1 0.551 0.030 . 1 . . . . 26 VAL HG2 . 10254 1 222 . 1 1 26 26 VAL HG23 H 1 0.551 0.030 . 1 . . . . 26 VAL HG2 . 10254 1 223 . 1 1 26 26 VAL C C 13 174.304 0.300 . 1 . . . . 26 VAL C . 10254 1 224 . 1 1 26 26 VAL CA C 13 58.917 0.300 . 1 . . . . 26 VAL CA . 10254 1 225 . 1 1 26 26 VAL CB C 13 35.753 0.300 . 1 . . . . 26 VAL CB . 10254 1 226 . 1 1 26 26 VAL CG1 C 13 22.141 0.300 . 2 . . . . 26 VAL CG1 . 10254 1 227 . 1 1 26 26 VAL CG2 C 13 19.468 0.300 . 2 . . . . 26 VAL CG2 . 10254 1 228 . 1 1 26 26 VAL N N 15 118.076 0.300 . 1 . . . . 26 VAL N . 10254 1 229 . 1 1 27 27 TRP H H 1 8.880 0.030 . 1 . . . . 27 TRP H . 10254 1 230 . 1 1 27 27 TRP HA H 1 4.814 0.030 . 1 . . . . 27 TRP HA . 10254 1 231 . 1 1 27 27 TRP HB2 H 1 3.142 0.030 . 1 . . . . 27 TRP HB2 . 10254 1 232 . 1 1 27 27 TRP HB3 H 1 3.142 0.030 . 1 . . . . 27 TRP HB3 . 10254 1 233 . 1 1 27 27 TRP HD1 H 1 7.045 0.030 . 1 . . . . 27 TRP HD1 . 10254 1 234 . 1 1 27 27 TRP HE1 H 1 10.203 0.030 . 1 . . . . 27 TRP HE1 . 10254 1 235 . 1 1 27 27 TRP HE3 H 1 7.611 0.030 . 1 . . . . 27 TRP HE3 . 10254 1 236 . 1 1 27 27 TRP HH2 H 1 7.302 0.030 . 1 . . . . 27 TRP HH2 . 10254 1 237 . 1 1 27 27 TRP HZ2 H 1 7.572 0.030 . 1 . . . . 27 TRP HZ2 . 10254 1 238 . 1 1 27 27 TRP HZ3 H 1 7.197 0.030 . 1 . . . . 27 TRP HZ3 . 10254 1 239 . 1 1 27 27 TRP C C 13 174.255 0.300 . 1 . . . . 27 TRP C . 10254 1 240 . 1 1 27 27 TRP CA C 13 57.117 0.300 . 1 . . . . 27 TRP CA . 10254 1 241 . 1 1 27 27 TRP CB C 13 30.325 0.300 . 1 . . . . 27 TRP CB . 10254 1 242 . 1 1 27 27 TRP CD1 C 13 126.993 0.300 . 1 . . . . 27 TRP CD1 . 10254 1 243 . 1 1 27 27 TRP CE3 C 13 120.426 0.300 . 1 . . . . 27 TRP CE3 . 10254 1 244 . 1 1 27 27 TRP CH2 C 13 124.333 0.300 . 1 . . . . 27 TRP CH2 . 10254 1 245 . 1 1 27 27 TRP CZ2 C 13 114.621 0.300 . 1 . . . . 27 TRP CZ2 . 10254 1 246 . 1 1 27 27 TRP CZ3 C 13 121.805 0.300 . 1 . . . . 27 TRP CZ3 . 10254 1 247 . 1 1 27 27 TRP N N 15 122.873 0.300 . 1 . . . . 27 TRP N . 10254 1 248 . 1 1 27 27 TRP NE1 N 15 128.664 0.300 . 1 . . . . 27 TRP NE1 . 10254 1 249 . 1 1 28 28 ALA H H 1 8.482 0.030 . 1 . . . . 28 ALA H . 10254 1 250 . 1 1 28 28 ALA HA H 1 5.329 0.030 . 1 . . . . 28 ALA HA . 10254 1 251 . 1 1 28 28 ALA HB1 H 1 0.932 0.030 . 1 . . . . 28 ALA HB . 10254 1 252 . 1 1 28 28 ALA HB2 H 1 0.932 0.030 . 1 . . . . 28 ALA HB . 10254 1 253 . 1 1 28 28 ALA HB3 H 1 0.932 0.030 . 1 . . . . 28 ALA HB . 10254 1 254 . 1 1 28 28 ALA C C 13 175.519 0.300 . 1 . . . . 28 ALA C . 10254 1 255 . 1 1 28 28 ALA CA C 13 49.670 0.300 . 1 . . . . 28 ALA CA . 10254 1 256 . 1 1 28 28 ALA CB C 13 23.827 0.300 . 1 . . . . 28 ALA CB . 10254 1 257 . 1 1 28 28 ALA N N 15 133.586 0.300 . 1 . . . . 28 ALA N . 10254 1 258 . 1 1 29 29 ALA H H 1 8.948 0.030 . 1 . . . . 29 ALA H . 10254 1 259 . 1 1 29 29 ALA HA H 1 5.160 0.030 . 1 . . . . 29 ALA HA . 10254 1 260 . 1 1 29 29 ALA HB1 H 1 1.431 0.030 . 1 . . . . 29 ALA HB . 10254 1 261 . 1 1 29 29 ALA HB2 H 1 1.431 0.030 . 1 . . . . 29 ALA HB . 10254 1 262 . 1 1 29 29 ALA HB3 H 1 1.431 0.030 . 1 . . . . 29 ALA HB . 10254 1 263 . 1 1 29 29 ALA C C 13 175.956 0.300 . 1 . . . . 29 ALA C . 10254 1 264 . 1 1 29 29 ALA CA C 13 52.210 0.300 . 1 . . . . 29 ALA CA . 10254 1 265 . 1 1 29 29 ALA CB C 13 23.697 0.300 . 1 . . . . 29 ALA CB . 10254 1 266 . 1 1 29 29 ALA N N 15 119.901 0.300 . 1 . . . . 29 ALA N . 10254 1 267 . 1 1 30 30 ILE H H 1 8.245 0.030 . 1 . . . . 30 ILE H . 10254 1 268 . 1 1 30 30 ILE HA H 1 5.313 0.030 . 1 . . . . 30 ILE HA . 10254 1 269 . 1 1 30 30 ILE HB H 1 1.644 0.030 . 1 . . . . 30 ILE HB . 10254 1 270 . 1 1 30 30 ILE HD11 H 1 0.815 0.030 . 1 . . . . 30 ILE HD1 . 10254 1 271 . 1 1 30 30 ILE HD12 H 1 0.815 0.030 . 1 . . . . 30 ILE HD1 . 10254 1 272 . 1 1 30 30 ILE HD13 H 1 0.815 0.030 . 1 . . . . 30 ILE HD1 . 10254 1 273 . 1 1 30 30 ILE HG12 H 1 1.740 0.030 . 2 . . . . 30 ILE HG12 . 10254 1 274 . 1 1 30 30 ILE HG13 H 1 1.132 0.030 . 2 . . . . 30 ILE HG13 . 10254 1 275 . 1 1 30 30 ILE HG21 H 1 0.952 0.030 . 1 . . . . 30 ILE HG2 . 10254 1 276 . 1 1 30 30 ILE HG22 H 1 0.952 0.030 . 1 . . . . 30 ILE HG2 . 10254 1 277 . 1 1 30 30 ILE HG23 H 1 0.952 0.030 . 1 . . . . 30 ILE HG2 . 10254 1 278 . 1 1 30 30 ILE C C 13 174.004 0.300 . 1 . . . . 30 ILE C . 10254 1 279 . 1 1 30 30 ILE CA C 13 57.699 0.300 . 1 . . . . 30 ILE CA . 10254 1 280 . 1 1 30 30 ILE CB C 13 40.565 0.300 . 1 . . . . 30 ILE CB . 10254 1 281 . 1 1 30 30 ILE CD1 C 13 14.732 0.300 . 1 . . . . 30 ILE CD1 . 10254 1 282 . 1 1 30 30 ILE CG1 C 13 27.389 0.300 . 1 . . . . 30 ILE CG1 . 10254 1 283 . 1 1 30 30 ILE CG2 C 13 17.614 0.300 . 1 . . . . 30 ILE CG2 . 10254 1 284 . 1 1 30 30 ILE N N 15 122.332 0.300 . 1 . . . . 30 ILE N . 10254 1 285 . 1 1 31 31 PRO HA H 1 4.655 0.030 . 1 . . . . 31 PRO HA . 10254 1 286 . 1 1 31 31 PRO HB2 H 1 2.247 0.030 . 2 . . . . 31 PRO HB2 . 10254 1 287 . 1 1 31 31 PRO HB3 H 1 1.853 0.030 . 2 . . . . 31 PRO HB3 . 10254 1 288 . 1 1 31 31 PRO HD2 H 1 3.839 0.030 . 2 . . . . 31 PRO HD2 . 10254 1 289 . 1 1 31 31 PRO HD3 H 1 4.352 0.030 . 2 . . . . 31 PRO HD3 . 10254 1 290 . 1 1 31 31 PRO HG2 H 1 1.553 0.030 . 2 . . . . 31 PRO HG2 . 10254 1 291 . 1 1 31 31 PRO HG3 H 1 1.753 0.030 . 2 . . . . 31 PRO HG3 . 10254 1 292 . 1 1 31 31 PRO C C 13 177.566 0.300 . 1 . . . . 31 PRO C . 10254 1 293 . 1 1 31 31 PRO CA C 13 62.464 0.300 . 1 . . . . 31 PRO CA . 10254 1 294 . 1 1 31 31 PRO CB C 13 31.929 0.300 . 1 . . . . 31 PRO CB . 10254 1 295 . 1 1 31 31 PRO CD C 13 51.815 0.300 . 1 . . . . 31 PRO CD . 10254 1 296 . 1 1 31 31 PRO CG C 13 26.829 0.300 . 1 . . . . 31 PRO CG . 10254 1 297 . 1 1 32 32 MET H H 1 8.572 0.030 . 1 . . . . 32 MET H . 10254 1 298 . 1 1 32 32 MET HA H 1 3.997 0.030 . 1 . . . . 32 MET HA . 10254 1 299 . 1 1 32 32 MET HB2 H 1 1.948 0.030 . 2 . . . . 32 MET HB2 . 10254 1 300 . 1 1 32 32 MET HB3 H 1 1.761 0.030 . 2 . . . . 32 MET HB3 . 10254 1 301 . 1 1 32 32 MET HE1 H 1 2.013 0.030 . 1 . . . . 32 MET HE . 10254 1 302 . 1 1 32 32 MET HE2 H 1 2.013 0.030 . 1 . . . . 32 MET HE . 10254 1 303 . 1 1 32 32 MET HE3 H 1 2.013 0.030 . 1 . . . . 32 MET HE . 10254 1 304 . 1 1 32 32 MET HG2 H 1 2.318 0.030 . 2 . . . . 32 MET HG2 . 10254 1 305 . 1 1 32 32 MET HG3 H 1 2.386 0.030 . 2 . . . . 32 MET HG3 . 10254 1 306 . 1 1 32 32 MET C C 13 177.770 0.300 . 1 . . . . 32 MET C . 10254 1 307 . 1 1 32 32 MET CA C 13 58.158 0.300 . 1 . . . . 32 MET CA . 10254 1 308 . 1 1 32 32 MET CB C 13 31.929 0.300 . 1 . . . . 32 MET CB . 10254 1 309 . 1 1 32 32 MET CE C 13 16.833 0.300 . 1 . . . . 32 MET CE . 10254 1 310 . 1 1 32 32 MET CG C 13 32.680 0.300 . 1 . . . . 32 MET CG . 10254 1 311 . 1 1 32 32 MET N N 15 121.580 0.300 . 1 . . . . 32 MET N . 10254 1 312 . 1 1 33 33 SER H H 1 8.163 0.030 . 1 . . . . 33 SER H . 10254 1 313 . 1 1 33 33 SER HA H 1 4.213 0.030 . 1 . . . . 33 SER HA . 10254 1 314 . 1 1 33 33 SER HB2 H 1 4.042 0.030 . 2 . . . . 33 SER HB2 . 10254 1 315 . 1 1 33 33 SER HB3 H 1 3.806 0.030 . 2 . . . . 33 SER HB3 . 10254 1 316 . 1 1 33 33 SER C C 13 174.424 0.300 . 1 . . . . 33 SER C . 10254 1 317 . 1 1 33 33 SER CA C 13 58.864 0.300 . 1 . . . . 33 SER CA . 10254 1 318 . 1 1 33 33 SER CB C 13 63.225 0.300 . 1 . . . . 33 SER CB . 10254 1 319 . 1 1 33 33 SER N N 15 109.218 0.300 . 1 . . . . 33 SER N . 10254 1 320 . 1 1 34 34 ASP H H 1 7.179 0.030 . 1 . . . . 34 ASP H . 10254 1 321 . 1 1 34 34 ASP HA H 1 4.912 0.030 . 1 . . . . 34 ASP HA . 10254 1 322 . 1 1 34 34 ASP HB2 H 1 2.923 0.030 . 2 . . . . 34 ASP HB2 . 10254 1 323 . 1 1 34 34 ASP HB3 H 1 2.365 0.030 . 2 . . . . 34 ASP HB3 . 10254 1 324 . 1 1 34 34 ASP C C 13 171.847 0.300 . 1 . . . . 34 ASP C . 10254 1 325 . 1 1 34 34 ASP CA C 13 52.581 0.300 . 1 . . . . 34 ASP CA . 10254 1 326 . 1 1 34 34 ASP CB C 13 41.223 0.300 . 1 . . . . 34 ASP CB . 10254 1 327 . 1 1 34 34 ASP N N 15 120.601 0.300 . 1 . . . . 34 ASP N . 10254 1 328 . 1 1 35 35 PRO HA H 1 4.510 0.030 . 1 . . . . 35 PRO HA . 10254 1 329 . 1 1 35 35 PRO HB2 H 1 2.044 0.030 . 1 . . . . 35 PRO HB2 . 10254 1 330 . 1 1 35 35 PRO HB3 H 1 2.044 0.030 . 1 . . . . 35 PRO HB3 . 10254 1 331 . 1 1 35 35 PRO HD2 H 1 3.471 0.030 . 2 . . . . 35 PRO HD2 . 10254 1 332 . 1 1 35 35 PRO HD3 H 1 3.641 0.030 . 2 . . . . 35 PRO HD3 . 10254 1 333 . 1 1 35 35 PRO HG2 H 1 1.811 0.030 . 2 . . . . 35 PRO HG2 . 10254 1 334 . 1 1 35 35 PRO HG3 H 1 1.958 0.030 . 2 . . . . 35 PRO HG3 . 10254 1 335 . 1 1 35 35 PRO C C 13 175.635 0.300 . 1 . . . . 35 PRO C . 10254 1 336 . 1 1 35 35 PRO CA C 13 64.511 0.300 . 1 . . . . 35 PRO CA . 10254 1 337 . 1 1 35 35 PRO CB C 13 31.729 0.300 . 1 . . . . 35 PRO CB . 10254 1 338 . 1 1 35 35 PRO CD C 13 49.469 0.300 . 1 . . . . 35 PRO CD . 10254 1 339 . 1 1 35 35 PRO CG C 13 27.158 0.300 . 1 . . . . 35 PRO CG . 10254 1 340 . 1 1 36 36 GLN H H 1 7.982 0.030 . 1 . . . . 36 GLN H . 10254 1 341 . 1 1 36 36 GLN HA H 1 4.472 0.030 . 1 . . . . 36 GLN HA . 10254 1 342 . 1 1 36 36 GLN HB2 H 1 2.012 0.030 . 2 . . . . 36 GLN HB2 . 10254 1 343 . 1 1 36 36 GLN HB3 H 1 2.179 0.030 . 2 . . . . 36 GLN HB3 . 10254 1 344 . 1 1 36 36 GLN HE21 H 1 7.641 0.030 . 2 . . . . 36 GLN HE21 . 10254 1 345 . 1 1 36 36 GLN HE22 H 1 6.824 0.030 . 2 . . . . 36 GLN HE22 . 10254 1 346 . 1 1 36 36 GLN HG2 H 1 2.300 0.030 . 2 . . . . 36 GLN HG2 . 10254 1 347 . 1 1 36 36 GLN HG3 H 1 2.213 0.030 . 2 . . . . 36 GLN HG3 . 10254 1 348 . 1 1 36 36 GLN C C 13 174.646 0.300 . 1 . . . . 36 GLN C . 10254 1 349 . 1 1 36 36 GLN CA C 13 55.193 0.300 . 1 . . . . 36 GLN CA . 10254 1 350 . 1 1 36 36 GLN CB C 13 29.420 0.300 . 1 . . . . 36 GLN CB . 10254 1 351 . 1 1 36 36 GLN CG C 13 35.136 0.300 . 1 . . . . 36 GLN CG . 10254 1 352 . 1 1 36 36 GLN N N 15 114.393 0.300 . 1 . . . . 36 GLN N . 10254 1 353 . 1 1 36 36 GLN NE2 N 15 112.416 0.300 . 1 . . . . 36 GLN NE2 . 10254 1 354 . 1 1 37 37 VAL H H 1 7.878 0.030 . 1 . . . . 37 VAL H . 10254 1 355 . 1 1 37 37 VAL HA H 1 4.546 0.030 . 1 . . . . 37 VAL HA . 10254 1 356 . 1 1 37 37 VAL HB H 1 1.872 0.030 . 1 . . . . 37 VAL HB . 10254 1 357 . 1 1 37 37 VAL HG11 H 1 0.733 0.030 . 1 . . . . 37 VAL HG1 . 10254 1 358 . 1 1 37 37 VAL HG12 H 1 0.733 0.030 . 1 . . . . 37 VAL HG1 . 10254 1 359 . 1 1 37 37 VAL HG13 H 1 0.733 0.030 . 1 . . . . 37 VAL HG1 . 10254 1 360 . 1 1 37 37 VAL HG21 H 1 0.552 0.030 . 1 . . . . 37 VAL HG2 . 10254 1 361 . 1 1 37 37 VAL HG22 H 1 0.552 0.030 . 1 . . . . 37 VAL HG2 . 10254 1 362 . 1 1 37 37 VAL HG23 H 1 0.552 0.030 . 1 . . . . 37 VAL HG2 . 10254 1 363 . 1 1 37 37 VAL C C 13 172.485 0.300 . 1 . . . . 37 VAL C . 10254 1 364 . 1 1 37 37 VAL CA C 13 60.987 0.300 . 1 . . . . 37 VAL CA . 10254 1 365 . 1 1 37 37 VAL CB C 13 35.218 0.300 . 1 . . . . 37 VAL CB . 10254 1 366 . 1 1 37 37 VAL CG1 C 13 21.342 0.300 . 2 . . . . 37 VAL CG1 . 10254 1 367 . 1 1 37 37 VAL CG2 C 13 21.874 0.300 . 2 . . . . 37 VAL CG2 . 10254 1 368 . 1 1 37 37 VAL N N 15 120.432 0.300 . 1 . . . . 37 VAL N . 10254 1 369 . 1 1 38 38 LEU H H 1 7.992 0.030 . 1 . . . . 38 LEU H . 10254 1 370 . 1 1 38 38 LEU HA H 1 4.770 0.030 . 1 . . . . 38 LEU HA . 10254 1 371 . 1 1 38 38 LEU HB2 H 1 1.711 0.030 . 2 . . . . 38 LEU HB2 . 10254 1 372 . 1 1 38 38 LEU HB3 H 1 1.112 0.030 . 2 . . . . 38 LEU HB3 . 10254 1 373 . 1 1 38 38 LEU HD11 H 1 0.581 0.030 . 1 . . . . 38 LEU HD1 . 10254 1 374 . 1 1 38 38 LEU HD12 H 1 0.581 0.030 . 1 . . . . 38 LEU HD1 . 10254 1 375 . 1 1 38 38 LEU HD13 H 1 0.581 0.030 . 1 . . . . 38 LEU HD1 . 10254 1 376 . 1 1 38 38 LEU HD21 H 1 0.925 0.030 . 1 . . . . 38 LEU HD2 . 10254 1 377 . 1 1 38 38 LEU HD22 H 1 0.925 0.030 . 1 . . . . 38 LEU HD2 . 10254 1 378 . 1 1 38 38 LEU HD23 H 1 0.925 0.030 . 1 . . . . 38 LEU HD2 . 10254 1 379 . 1 1 38 38 LEU HG H 1 1.213 0.030 . 1 . . . . 38 LEU HG . 10254 1 380 . 1 1 38 38 LEU C C 13 175.193 0.300 . 1 . . . . 38 LEU C . 10254 1 381 . 1 1 38 38 LEU CA C 13 53.146 0.300 . 1 . . . . 38 LEU CA . 10254 1 382 . 1 1 38 38 LEU CB C 13 45.359 0.300 . 1 . . . . 38 LEU CB . 10254 1 383 . 1 1 38 38 LEU CD1 C 13 25.989 0.300 . 2 . . . . 38 LEU CD1 . 10254 1 384 . 1 1 38 38 LEU CD2 C 13 24.643 0.300 . 2 . . . . 38 LEU CD2 . 10254 1 385 . 1 1 38 38 LEU CG C 13 27.204 0.300 . 1 . . . . 38 LEU CG . 10254 1 386 . 1 1 38 38 LEU N N 15 123.585 0.300 . 1 . . . . 38 LEU N . 10254 1 387 . 1 1 39 39 HIS H H 1 9.442 0.030 . 1 . . . . 39 HIS H . 10254 1 388 . 1 1 39 39 HIS HA H 1 5.212 0.030 . 1 . . . . 39 HIS HA . 10254 1 389 . 1 1 39 39 HIS HB2 H 1 3.032 0.030 . 2 . . . . 39 HIS HB2 . 10254 1 390 . 1 1 39 39 HIS HB3 H 1 3.281 0.030 . 2 . . . . 39 HIS HB3 . 10254 1 391 . 1 1 39 39 HIS HD2 H 1 7.056 0.030 . 1 . . . . 39 HIS HD2 . 10254 1 392 . 1 1 39 39 HIS HE1 H 1 7.738 0.030 . 1 . . . . 39 HIS HE1 . 10254 1 393 . 1 1 39 39 HIS C C 13 175.351 0.300 . 1 . . . . 39 HIS C . 10254 1 394 . 1 1 39 39 HIS CA C 13 55.211 0.300 . 1 . . . . 39 HIS CA . 10254 1 395 . 1 1 39 39 HIS CB C 13 32.669 0.300 . 1 . . . . 39 HIS CB . 10254 1 396 . 1 1 39 39 HIS CD2 C 13 118.109 0.300 . 1 . . . . 39 HIS CD2 . 10254 1 397 . 1 1 39 39 HIS CE1 C 13 138.083 0.300 . 1 . . . . 39 HIS CE1 . 10254 1 398 . 1 1 39 39 HIS N N 15 126.949 0.300 . 1 . . . . 39 HIS N . 10254 1 399 . 1 1 40 40 LEU H H 1 8.424 0.030 . 1 . . . . 40 LEU H . 10254 1 400 . 1 1 40 40 LEU HA H 1 5.082 0.030 . 1 . . . . 40 LEU HA . 10254 1 401 . 1 1 40 40 LEU HB2 H 1 1.955 0.030 . 2 . . . . 40 LEU HB2 . 10254 1 402 . 1 1 40 40 LEU HB3 H 1 0.858 0.030 . 2 . . . . 40 LEU HB3 . 10254 1 403 . 1 1 40 40 LEU HD11 H 1 0.492 0.030 . 1 . . . . 40 LEU HD1 . 10254 1 404 . 1 1 40 40 LEU HD12 H 1 0.492 0.030 . 1 . . . . 40 LEU HD1 . 10254 1 405 . 1 1 40 40 LEU HD13 H 1 0.492 0.030 . 1 . . . . 40 LEU HD1 . 10254 1 406 . 1 1 40 40 LEU HD21 H 1 0.571 0.030 . 1 . . . . 40 LEU HD2 . 10254 1 407 . 1 1 40 40 LEU HD22 H 1 0.571 0.030 . 1 . . . . 40 LEU HD2 . 10254 1 408 . 1 1 40 40 LEU HD23 H 1 0.571 0.030 . 1 . . . . 40 LEU HD2 . 10254 1 409 . 1 1 40 40 LEU HG H 1 1.234 0.030 . 1 . . . . 40 LEU HG . 10254 1 410 . 1 1 40 40 LEU C C 13 176.050 0.300 . 1 . . . . 40 LEU C . 10254 1 411 . 1 1 40 40 LEU CA C 13 53.552 0.300 . 1 . . . . 40 LEU CA . 10254 1 412 . 1 1 40 40 LEU CB C 13 44.019 0.300 . 1 . . . . 40 LEU CB . 10254 1 413 . 1 1 40 40 LEU CD1 C 13 26.068 0.300 . 2 . . . . 40 LEU CD1 . 10254 1 414 . 1 1 40 40 LEU CD2 C 13 24.033 0.300 . 2 . . . . 40 LEU CD2 . 10254 1 415 . 1 1 40 40 LEU CG C 13 26.706 0.300 . 1 . . . . 40 LEU CG . 10254 1 416 . 1 1 40 40 LEU N N 15 122.395 0.300 . 1 . . . . 40 LEU N . 10254 1 417 . 1 1 41 41 GLN H H 1 8.972 0.030 . 1 . . . . 41 GLN H . 10254 1 418 . 1 1 41 41 GLN HA H 1 4.723 0.030 . 1 . . . . 41 GLN HA . 10254 1 419 . 1 1 41 41 GLN HB2 H 1 2.221 0.030 . 2 . . . . 41 GLN HB2 . 10254 1 420 . 1 1 41 41 GLN HB3 H 1 2.272 0.030 . 2 . . . . 41 GLN HB3 . 10254 1 421 . 1 1 41 41 GLN HE21 H 1 7.565 0.030 . 2 . . . . 41 GLN HE21 . 10254 1 422 . 1 1 41 41 GLN HE22 H 1 6.756 0.030 . 2 . . . . 41 GLN HE22 . 10254 1 423 . 1 1 41 41 GLN HG2 H 1 2.453 0.030 . 1 . . . . 41 GLN HG2 . 10254 1 424 . 1 1 41 41 GLN HG3 H 1 2.453 0.030 . 1 . . . . 41 GLN HG3 . 10254 1 425 . 1 1 41 41 GLN C C 13 175.453 0.300 . 1 . . . . 41 GLN C . 10254 1 426 . 1 1 41 41 GLN CA C 13 54.840 0.300 . 1 . . . . 41 GLN CA . 10254 1 427 . 1 1 41 41 GLN CB C 13 31.946 0.300 . 1 . . . . 41 GLN CB . 10254 1 428 . 1 1 41 41 GLN CG C 13 33.820 0.300 . 1 . . . . 41 GLN CG . 10254 1 429 . 1 1 41 41 GLN N N 15 121.779 0.300 . 1 . . . . 41 GLN N . 10254 1 430 . 1 1 41 41 GLN NE2 N 15 111.663 0.300 . 1 . . . . 41 GLN NE2 . 10254 1 431 . 1 1 42 42 GLY H H 1 8.739 0.030 . 1 . . . . 42 GLY H . 10254 1 432 . 1 1 42 42 GLY HA2 H 1 4.252 0.030 . 2 . . . . 42 GLY HA2 . 10254 1 433 . 1 1 42 42 GLY HA3 H 1 4.200 0.030 . 2 . . . . 42 GLY HA3 . 10254 1 434 . 1 1 42 42 GLY C C 13 173.938 0.300 . 1 . . . . 42 GLY C . 10254 1 435 . 1 1 42 42 GLY CA C 13 44.746 0.300 . 1 . . . . 42 GLY CA . 10254 1 436 . 1 1 42 42 GLY N N 15 112.892 0.300 . 1 . . . . 42 GLY N . 10254 1 437 . 1 1 43 43 GLY H H 1 8.709 0.030 . 1 . . . . 43 GLY H . 10254 1 438 . 1 1 43 43 GLY HA2 H 1 4.110 0.030 . 2 . . . . 43 GLY HA2 . 10254 1 439 . 1 1 43 43 GLY HA3 H 1 3.962 0.030 . 2 . . . . 43 GLY HA3 . 10254 1 440 . 1 1 43 43 GLY C C 13 174.713 0.300 . 1 . . . . 43 GLY C . 10254 1 441 . 1 1 43 43 GLY CA C 13 45.346 0.300 . 1 . . . . 43 GLY CA . 10254 1 442 . 1 1 43 43 GLY N N 15 108.768 0.300 . 1 . . . . 43 GLY N . 10254 1 443 . 1 1 44 44 SER H H 1 8.369 0.030 . 1 . . . . 44 SER H . 10254 1 444 . 1 1 44 44 SER C C 13 175.312 0.300 . 1 . . . . 44 SER C . 10254 1 445 . 1 1 44 44 SER CA C 13 58.723 0.300 . 1 . . . . 44 SER CA . 10254 1 446 . 1 1 44 44 SER CB C 13 63.924 0.300 . 1 . . . . 44 SER CB . 10254 1 447 . 1 1 44 44 SER N N 15 115.582 0.300 . 1 . . . . 44 SER N . 10254 1 448 . 1 1 45 45 GLN HA H 1 4.346 0.030 . 1 . . . . 45 GLN HA . 10254 1 449 . 1 1 45 45 GLN HB2 H 1 2.223 0.030 . 2 . . . . 45 GLN HB2 . 10254 1 450 . 1 1 45 45 GLN HB3 H 1 2.022 0.030 . 2 . . . . 45 GLN HB3 . 10254 1 451 . 1 1 45 45 GLN HE21 H 1 7.552 0.030 . 2 . . . . 45 GLN HE21 . 10254 1 452 . 1 1 45 45 GLN HE22 H 1 6.845 0.030 . 2 . . . . 45 GLN HE22 . 10254 1 453 . 1 1 45 45 GLN HG2 H 1 2.383 0.030 . 1 . . . . 45 GLN HG2 . 10254 1 454 . 1 1 45 45 GLN HG3 H 1 2.383 0.030 . 1 . . . . 45 GLN HG3 . 10254 1 455 . 1 1 45 45 GLN C C 13 175.931 0.300 . 1 . . . . 45 GLN C . 10254 1 456 . 1 1 45 45 GLN CA C 13 56.358 0.300 . 1 . . . . 45 GLN CA . 10254 1 457 . 1 1 45 45 GLN CB C 13 28.392 0.300 . 1 . . . . 45 GLN CB . 10254 1 458 . 1 1 45 45 GLN CG C 13 33.903 0.300 . 1 . . . . 45 GLN CG . 10254 1 459 . 1 1 45 45 GLN NE2 N 15 112.539 0.300 . 1 . . . . 45 GLN NE2 . 10254 1 460 . 1 1 46 46 ASP H H 1 8.053 0.030 . 1 . . . . 46 ASP H . 10254 1 461 . 1 1 46 46 ASP HA H 1 4.615 0.030 . 1 . . . . 46 ASP HA . 10254 1 462 . 1 1 46 46 ASP HB2 H 1 2.737 0.030 . 1 . . . . 46 ASP HB2 . 10254 1 463 . 1 1 46 46 ASP HB3 H 1 2.737 0.030 . 1 . . . . 46 ASP HB3 . 10254 1 464 . 1 1 46 46 ASP C C 13 176.998 0.300 . 1 . . . . 46 ASP C . 10254 1 465 . 1 1 46 46 ASP CA C 13 54.188 0.300 . 1 . . . . 46 ASP CA . 10254 1 466 . 1 1 46 46 ASP CB C 13 41.099 0.300 . 1 . . . . 46 ASP CB . 10254 1 467 . 1 1 46 46 ASP N N 15 119.460 0.300 . 1 . . . . 46 ASP N . 10254 1 468 . 1 1 47 47 GLY H H 1 8.311 0.030 . 1 . . . . 47 GLY H . 10254 1 469 . 1 1 47 47 GLY HA2 H 1 3.970 0.030 . 1 . . . . 47 GLY HA2 . 10254 1 470 . 1 1 47 47 GLY HA3 H 1 3.970 0.030 . 1 . . . . 47 GLY HA3 . 10254 1 471 . 1 1 47 47 GLY C C 13 174.725 0.300 . 1 . . . . 47 GLY C . 10254 1 472 . 1 1 47 47 GLY CA C 13 45.892 0.300 . 1 . . . . 47 GLY CA . 10254 1 473 . 1 1 47 47 GLY N N 15 109.753 0.300 . 1 . . . . 47 GLY N . 10254 1 474 . 1 1 48 48 ARG H H 1 8.300 0.030 . 1 . . . . 48 ARG H . 10254 1 475 . 1 1 48 48 ARG HA H 1 4.308 0.030 . 1 . . . . 48 ARG HA . 10254 1 476 . 1 1 48 48 ARG HB2 H 1 2.012 0.030 . 2 . . . . 48 ARG HB2 . 10254 1 477 . 1 1 48 48 ARG HB3 H 1 1.881 0.030 . 2 . . . . 48 ARG HB3 . 10254 1 478 . 1 1 48 48 ARG HD2 H 1 3.274 0.030 . 2 . . . . 48 ARG HD2 . 10254 1 479 . 1 1 48 48 ARG HD3 H 1 3.220 0.030 . 2 . . . . 48 ARG HD3 . 10254 1 480 . 1 1 48 48 ARG HG2 H 1 1.642 0.030 . 1 . . . . 48 ARG HG2 . 10254 1 481 . 1 1 48 48 ARG HG3 H 1 1.642 0.030 . 1 . . . . 48 ARG HG3 . 10254 1 482 . 1 1 48 48 ARG C C 13 176.347 0.300 . 1 . . . . 48 ARG C . 10254 1 483 . 1 1 48 48 ARG CA C 13 56.782 0.300 . 1 . . . . 48 ARG CA . 10254 1 484 . 1 1 48 48 ARG CB C 13 30.654 0.300 . 1 . . . . 48 ARG CB . 10254 1 485 . 1 1 48 48 ARG CD C 13 43.115 0.300 . 1 . . . . 48 ARG CD . 10254 1 486 . 1 1 48 48 ARG CG C 13 27.734 0.300 . 1 . . . . 48 ARG CG . 10254 1 487 . 1 1 48 48 ARG N N 15 119.526 0.300 . 1 . . . . 48 ARG N . 10254 1 488 . 1 1 49 49 LEU H H 1 7.682 0.030 . 1 . . . . 49 LEU H . 10254 1 489 . 1 1 49 49 LEU HA H 1 4.252 0.030 . 1 . . . . 49 LEU HA . 10254 1 490 . 1 1 49 49 LEU HB2 H 1 1.452 0.030 . 2 . . . . 49 LEU HB2 . 10254 1 491 . 1 1 49 49 LEU HB3 H 1 1.216 0.030 . 2 . . . . 49 LEU HB3 . 10254 1 492 . 1 1 49 49 LEU HD11 H 1 0.672 0.030 . 1 . . . . 49 LEU HD1 . 10254 1 493 . 1 1 49 49 LEU HD12 H 1 0.672 0.030 . 1 . . . . 49 LEU HD1 . 10254 1 494 . 1 1 49 49 LEU HD13 H 1 0.672 0.030 . 1 . . . . 49 LEU HD1 . 10254 1 495 . 1 1 49 49 LEU HD21 H 1 0.712 0.030 . 1 . . . . 49 LEU HD2 . 10254 1 496 . 1 1 49 49 LEU HD22 H 1 0.712 0.030 . 1 . . . . 49 LEU HD2 . 10254 1 497 . 1 1 49 49 LEU HD23 H 1 0.712 0.030 . 1 . . . . 49 LEU HD2 . 10254 1 498 . 1 1 49 49 LEU HG H 1 1.492 0.030 . 1 . . . . 49 LEU HG . 10254 1 499 . 1 1 49 49 LEU C C 13 174.707 0.300 . 1 . . . . 49 LEU C . 10254 1 500 . 1 1 49 49 LEU CA C 13 53.040 0.300 . 1 . . . . 49 LEU CA . 10254 1 501 . 1 1 49 49 LEU CB C 13 41.759 0.300 . 1 . . . . 49 LEU CB . 10254 1 502 . 1 1 49 49 LEU CD1 C 13 25.384 0.300 . 2 . . . . 49 LEU CD1 . 10254 1 503 . 1 1 49 49 LEU CD2 C 13 24.274 0.300 . 2 . . . . 49 LEU CD2 . 10254 1 504 . 1 1 49 49 LEU CG C 13 26.724 0.300 . 1 . . . . 49 LEU CG . 10254 1 505 . 1 1 49 49 LEU N N 15 121.049 0.300 . 1 . . . . 49 LEU N . 10254 1 506 . 1 1 50 50 PRO HA H 1 4.392 0.030 . 1 . . . . 50 PRO HA . 10254 1 507 . 1 1 50 50 PRO HB2 H 1 2.143 0.030 . 2 . . . . 50 PRO HB2 . 10254 1 508 . 1 1 50 50 PRO HB3 H 1 1.600 0.030 . 2 . . . . 50 PRO HB3 . 10254 1 509 . 1 1 50 50 PRO HD2 H 1 2.982 0.030 . 2 . . . . 50 PRO HD2 . 10254 1 510 . 1 1 50 50 PRO HD3 H 1 2.587 0.030 . 2 . . . . 50 PRO HD3 . 10254 1 511 . 1 1 50 50 PRO HG2 H 1 1.163 0.030 . 2 . . . . 50 PRO HG2 . 10254 1 512 . 1 1 50 50 PRO HG3 H 1 1.361 0.030 . 2 . . . . 50 PRO HG3 . 10254 1 513 . 1 1 50 50 PRO C C 13 175.058 0.300 . 1 . . . . 50 PRO C . 10254 1 514 . 1 1 50 50 PRO CA C 13 62.323 0.300 . 1 . . . . 50 PRO CA . 10254 1 515 . 1 1 50 50 PRO CB C 13 31.353 0.300 . 1 . . . . 50 PRO CB . 10254 1 516 . 1 1 50 50 PRO CD C 13 49.704 0.300 . 1 . . . . 50 PRO CD . 10254 1 517 . 1 1 50 50 PRO CG C 13 26.639 0.300 . 1 . . . . 50 PRO CG . 10254 1 518 . 1 1 51 51 ARG H H 1 8.295 0.030 . 1 . . . . 51 ARG H . 10254 1 519 . 1 1 51 51 ARG HA H 1 4.511 0.030 . 1 . . . . 51 ARG HA . 10254 1 520 . 1 1 51 51 ARG HB2 H 1 1.962 0.030 . 2 . . . . 51 ARG HB2 . 10254 1 521 . 1 1 51 51 ARG HB3 H 1 1.814 0.030 . 2 . . . . 51 ARG HB3 . 10254 1 522 . 1 1 51 51 ARG HD2 H 1 3.256 0.030 . 1 . . . . 51 ARG HD2 . 10254 1 523 . 1 1 51 51 ARG HD3 H 1 3.256 0.030 . 1 . . . . 51 ARG HD3 . 10254 1 524 . 1 1 51 51 ARG HG2 H 1 1.810 0.030 . 2 . . . . 51 ARG HG2 . 10254 1 525 . 1 1 51 51 ARG HG3 H 1 1.709 0.030 . 2 . . . . 51 ARG HG3 . 10254 1 526 . 1 1 51 51 ARG C C 13 177.443 0.300 . 1 . . . . 51 ARG C . 10254 1 527 . 1 1 51 51 ARG CA C 13 56.728 0.300 . 1 . . . . 51 ARG CA . 10254 1 528 . 1 1 51 51 ARG CB C 13 31.194 0.300 . 1 . . . . 51 ARG CB . 10254 1 529 . 1 1 51 51 ARG CD C 13 43.197 0.300 . 1 . . . . 51 ARG CD . 10254 1 530 . 1 1 51 51 ARG CG C 13 27.405 0.300 . 1 . . . . 51 ARG CG . 10254 1 531 . 1 1 51 51 ARG N N 15 119.201 0.300 . 1 . . . . 51 ARG N . 10254 1 532 . 1 1 52 52 THR H H 1 7.372 0.030 . 1 . . . . 52 THR H . 10254 1 533 . 1 1 52 52 THR HA H 1 4.963 0.030 . 1 . . . . 52 THR HA . 10254 1 534 . 1 1 52 52 THR HB H 1 3.623 0.030 . 1 . . . . 52 THR HB . 10254 1 535 . 1 1 52 52 THR HG21 H 1 0.651 0.030 . 1 . . . . 52 THR HG2 . 10254 1 536 . 1 1 52 52 THR HG22 H 1 0.651 0.030 . 1 . . . . 52 THR HG2 . 10254 1 537 . 1 1 52 52 THR HG23 H 1 0.651 0.030 . 1 . . . . 52 THR HG2 . 10254 1 538 . 1 1 52 52 THR C C 13 173.287 0.300 . 1 . . . . 52 THR C . 10254 1 539 . 1 1 52 52 THR CA C 13 59.411 0.300 . 1 . . . . 52 THR CA . 10254 1 540 . 1 1 52 52 THR CB C 13 71.632 0.300 . 1 . . . . 52 THR CB . 10254 1 541 . 1 1 52 52 THR CG2 C 13 21.976 0.300 . 1 . . . . 52 THR CG2 . 10254 1 542 . 1 1 52 52 THR N N 15 109.591 0.300 . 1 . . . . 52 THR N . 10254 1 543 . 1 1 53 53 ILE H H 1 8.742 0.030 . 1 . . . . 53 ILE H . 10254 1 544 . 1 1 53 53 ILE HA H 1 3.845 0.030 . 1 . . . . 53 ILE HA . 10254 1 545 . 1 1 53 53 ILE HB H 1 1.301 0.030 . 1 . . . . 53 ILE HB . 10254 1 546 . 1 1 53 53 ILE HD11 H 1 0.244 0.030 . 1 . . . . 53 ILE HD1 . 10254 1 547 . 1 1 53 53 ILE HD12 H 1 0.244 0.030 . 1 . . . . 53 ILE HD1 . 10254 1 548 . 1 1 53 53 ILE HD13 H 1 0.244 0.030 . 1 . . . . 53 ILE HD1 . 10254 1 549 . 1 1 53 53 ILE HG12 H 1 0.367 0.030 . 2 . . . . 53 ILE HG12 . 10254 1 550 . 1 1 53 53 ILE HG13 H 1 0.950 0.030 . 2 . . . . 53 ILE HG13 . 10254 1 551 . 1 1 53 53 ILE HG21 H 1 -0.313 0.030 . 1 . . . . 53 ILE HG2 . 10254 1 552 . 1 1 53 53 ILE HG22 H 1 -0.313 0.030 . 1 . . . . 53 ILE HG2 . 10254 1 553 . 1 1 53 53 ILE HG23 H 1 -0.313 0.030 . 1 . . . . 53 ILE HG2 . 10254 1 554 . 1 1 53 53 ILE C C 13 173.374 0.300 . 1 . . . . 53 ILE C . 10254 1 555 . 1 1 53 53 ILE CA C 13 57.735 0.300 . 1 . . . . 53 ILE CA . 10254 1 556 . 1 1 53 53 ILE CB C 13 41.196 0.300 . 1 . . . . 53 ILE CB . 10254 1 557 . 1 1 53 53 ILE CD1 C 13 13.441 0.300 . 1 . . . . 53 ILE CD1 . 10254 1 558 . 1 1 53 53 ILE CG1 C 13 26.353 0.300 . 1 . . . . 53 ILE CG1 . 10254 1 559 . 1 1 53 53 ILE CG2 C 13 16.124 0.300 . 1 . . . . 53 ILE CG2 . 10254 1 560 . 1 1 53 53 ILE N N 15 123.236 0.300 . 1 . . . . 53 ILE N . 10254 1 561 . 1 1 54 54 PRO HA H 1 4.541 0.030 . 1 . . . . 54 PRO HA . 10254 1 562 . 1 1 54 54 PRO HB2 H 1 1.942 0.030 . 2 . . . . 54 PRO HB2 . 10254 1 563 . 1 1 54 54 PRO HB3 H 1 1.978 0.030 . 2 . . . . 54 PRO HB3 . 10254 1 564 . 1 1 54 54 PRO HD2 H 1 3.202 0.030 . 2 . . . . 54 PRO HD2 . 10254 1 565 . 1 1 54 54 PRO HD3 H 1 2.163 0.030 . 2 . . . . 54 PRO HD3 . 10254 1 566 . 1 1 54 54 PRO HG2 H 1 1.972 0.030 . 2 . . . . 54 PRO HG2 . 10254 1 567 . 1 1 54 54 PRO HG3 H 1 1.912 0.030 . 2 . . . . 54 PRO HG3 . 10254 1 568 . 1 1 54 54 PRO CA C 13 61.292 0.300 . 1 . . . . 54 PRO CA . 10254 1 569 . 1 1 54 54 PRO CB C 13 30.119 0.300 . 1 . . . . 54 PRO CB . 10254 1 570 . 1 1 54 54 PRO CD C 13 50.024 0.300 . 1 . . . . 54 PRO CD . 10254 1 571 . 1 1 54 54 PRO CG C 13 27.158 0.300 . 1 . . . . 54 PRO CG . 10254 1 572 . 1 1 55 55 LEU H H 1 8.146 0.030 . 1 . . . . 55 LEU H . 10254 1 573 . 1 1 55 55 LEU HA H 1 4.262 0.030 . 1 . . . . 55 LEU HA . 10254 1 574 . 1 1 55 55 LEU HB2 H 1 1.132 0.030 . 2 . . . . 55 LEU HB2 . 10254 1 575 . 1 1 55 55 LEU HB3 H 1 1.793 0.030 . 2 . . . . 55 LEU HB3 . 10254 1 576 . 1 1 55 55 LEU HD11 H 1 0.802 0.030 . 1 . . . . 55 LEU HD1 . 10254 1 577 . 1 1 55 55 LEU HD12 H 1 0.802 0.030 . 1 . . . . 55 LEU HD1 . 10254 1 578 . 1 1 55 55 LEU HD13 H 1 0.802 0.030 . 1 . . . . 55 LEU HD1 . 10254 1 579 . 1 1 55 55 LEU HD21 H 1 0.762 0.030 . 1 . . . . 55 LEU HD2 . 10254 1 580 . 1 1 55 55 LEU HD22 H 1 0.762 0.030 . 1 . . . . 55 LEU HD2 . 10254 1 581 . 1 1 55 55 LEU HD23 H 1 0.762 0.030 . 1 . . . . 55 LEU HD2 . 10254 1 582 . 1 1 55 55 LEU HG H 1 1.662 0.030 . 1 . . . . 55 LEU HG . 10254 1 583 . 1 1 55 55 LEU CA C 13 58.660 0.300 . 1 . . . . 55 LEU CA . 10254 1 584 . 1 1 55 55 LEU CB C 13 39.660 0.300 . 1 . . . . 55 LEU CB . 10254 1 585 . 1 1 55 55 LEU CD1 C 13 26.238 0.300 . 2 . . . . 55 LEU CD1 . 10254 1 586 . 1 1 55 55 LEU CD2 C 13 22.786 0.300 . 2 . . . . 55 LEU CD2 . 10254 1 587 . 1 1 55 55 LEU CG C 13 26.954 0.300 . 1 . . . . 55 LEU CG . 10254 1 588 . 1 1 55 55 LEU N N 15 127.224 0.300 . 1 . . . . 55 LEU N . 10254 1 589 . 1 1 56 56 PRO HA H 1 4.630 0.030 . 1 . . . . 56 PRO HA . 10254 1 590 . 1 1 56 56 PRO HB2 H 1 1.841 0.030 . 2 . . . . 56 PRO HB2 . 10254 1 591 . 1 1 56 56 PRO HB3 H 1 2.455 0.030 . 2 . . . . 56 PRO HB3 . 10254 1 592 . 1 1 56 56 PRO HD2 H 1 3.412 0.030 . 2 . . . . 56 PRO HD2 . 10254 1 593 . 1 1 56 56 PRO HD3 H 1 4.303 0.030 . 2 . . . . 56 PRO HD3 . 10254 1 594 . 1 1 56 56 PRO HG2 H 1 2.083 0.030 . 2 . . . . 56 PRO HG2 . 10254 1 595 . 1 1 56 56 PRO HG3 H 1 1.933 0.030 . 2 . . . . 56 PRO HG3 . 10254 1 596 . 1 1 56 56 PRO C C 13 177.498 0.300 . 1 . . . . 56 PRO C . 10254 1 597 . 1 1 56 56 PRO CA C 13 65.782 0.300 . 1 . . . . 56 PRO CA . 10254 1 598 . 1 1 56 56 PRO CB C 13 31.188 0.300 . 1 . . . . 56 PRO CB . 10254 1 599 . 1 1 56 56 PRO CD C 13 51.257 0.300 . 1 . . . . 56 PRO CD . 10254 1 600 . 1 1 56 56 PRO CG C 13 28.639 0.300 . 1 . . . . 56 PRO CG . 10254 1 601 . 1 1 57 57 SER H H 1 7.722 0.030 . 1 . . . . 57 SER H . 10254 1 602 . 1 1 57 57 SER HA H 1 4.723 0.030 . 1 . . . . 57 SER HA . 10254 1 603 . 1 1 57 57 SER HB2 H 1 4.251 0.030 . 2 . . . . 57 SER HB2 . 10254 1 604 . 1 1 57 57 SER HB3 H 1 3.992 0.030 . 2 . . . . 57 SER HB3 . 10254 1 605 . 1 1 57 57 SER C C 13 174.102 0.300 . 1 . . . . 57 SER C . 10254 1 606 . 1 1 57 57 SER CA C 13 58.423 0.300 . 1 . . . . 57 SER CA . 10254 1 607 . 1 1 57 57 SER CB C 13 63.924 0.300 . 1 . . . . 57 SER CB . 10254 1 608 . 1 1 57 57 SER N N 15 110.169 0.300 . 1 . . . . 57 SER N . 10254 1 609 . 1 1 58 58 CYS H H 1 8.002 0.030 . 1 . . . . 58 CYS H . 10254 1 610 . 1 1 58 58 CYS HA H 1 5.282 0.030 . 1 . . . . 58 CYS HA . 10254 1 611 . 1 1 58 58 CYS HB2 H 1 3.162 0.030 . 2 . . . . 58 CYS HB2 . 10254 1 612 . 1 1 58 58 CYS HB3 H 1 2.572 0.030 . 2 . . . . 58 CYS HB3 . 10254 1 613 . 1 1 58 58 CYS C C 13 174.525 0.300 . 1 . . . . 58 CYS C . 10254 1 614 . 1 1 58 58 CYS CA C 13 59.447 0.300 . 1 . . . . 58 CYS CA . 10254 1 615 . 1 1 58 58 CYS CB C 13 29.594 0.300 . 1 . . . . 58 CYS CB . 10254 1 616 . 1 1 58 58 CYS N N 15 118.902 0.300 . 1 . . . . 58 CYS N . 10254 1 617 . 1 1 59 59 LYS H H 1 9.242 0.030 . 1 . . . . 59 LYS H . 10254 1 618 . 1 1 59 59 LYS HA H 1 4.777 0.030 . 1 . . . . 59 LYS HA . 10254 1 619 . 1 1 59 59 LYS HB2 H 1 1.873 0.030 . 2 . . . . 59 LYS HB2 . 10254 1 620 . 1 1 59 59 LYS HB3 H 1 1.810 0.030 . 2 . . . . 59 LYS HB3 . 10254 1 621 . 1 1 59 59 LYS HD2 H 1 1.699 0.030 . 1 . . . . 59 LYS HD2 . 10254 1 622 . 1 1 59 59 LYS HD3 H 1 1.699 0.030 . 1 . . . . 59 LYS HD3 . 10254 1 623 . 1 1 59 59 LYS HE2 H 1 2.980 0.030 . 1 . . . . 59 LYS HE2 . 10254 1 624 . 1 1 59 59 LYS HE3 H 1 2.980 0.030 . 1 . . . . 59 LYS HE3 . 10254 1 625 . 1 1 59 59 LYS HG2 H 1 1.530 0.030 . 2 . . . . 59 LYS HG2 . 10254 1 626 . 1 1 59 59 LYS HG3 H 1 1.407 0.030 . 2 . . . . 59 LYS HG3 . 10254 1 627 . 1 1 59 59 LYS C C 13 175.947 0.300 . 1 . . . . 59 LYS C . 10254 1 628 . 1 1 59 59 LYS CA C 13 55.299 0.300 . 1 . . . . 59 LYS CA . 10254 1 629 . 1 1 59 59 LYS CB C 13 34.561 0.300 . 1 . . . . 59 LYS CB . 10254 1 630 . 1 1 59 59 LYS CD C 13 29.157 0.300 . 1 . . . . 59 LYS CD . 10254 1 631 . 1 1 59 59 LYS CE C 13 42.223 0.300 . 1 . . . . 59 LYS CE . 10254 1 632 . 1 1 59 59 LYS CG C 13 25.020 0.300 . 1 . . . . 59 LYS CG . 10254 1 633 . 1 1 59 59 LYS N N 15 122.306 0.300 . 1 . . . . 59 LYS N . 10254 1 634 . 1 1 60 60 LEU H H 1 9.030 0.030 . 1 . . . . 60 LEU H . 10254 1 635 . 1 1 60 60 LEU HA H 1 5.543 0.030 . 1 . . . . 60 LEU HA . 10254 1 636 . 1 1 60 60 LEU HB2 H 1 1.594 0.030 . 1 . . . . 60 LEU HB2 . 10254 1 637 . 1 1 60 60 LEU HB3 H 1 1.594 0.030 . 1 . . . . 60 LEU HB3 . 10254 1 638 . 1 1 60 60 LEU HD11 H 1 0.892 0.030 . 1 . . . . 60 LEU HD1 . 10254 1 639 . 1 1 60 60 LEU HD12 H 1 0.892 0.030 . 1 . . . . 60 LEU HD1 . 10254 1 640 . 1 1 60 60 LEU HD13 H 1 0.892 0.030 . 1 . . . . 60 LEU HD1 . 10254 1 641 . 1 1 60 60 LEU HD21 H 1 0.889 0.030 . 1 . . . . 60 LEU HD2 . 10254 1 642 . 1 1 60 60 LEU HD22 H 1 0.889 0.030 . 1 . . . . 60 LEU HD2 . 10254 1 643 . 1 1 60 60 LEU HD23 H 1 0.889 0.030 . 1 . . . . 60 LEU HD2 . 10254 1 644 . 1 1 60 60 LEU HG H 1 1.692 0.030 . 1 . . . . 60 LEU HG . 10254 1 645 . 1 1 60 60 LEU C C 13 176.239 0.300 . 1 . . . . 60 LEU C . 10254 1 646 . 1 1 60 60 LEU CA C 13 53.958 0.300 . 1 . . . . 60 LEU CA . 10254 1 647 . 1 1 60 60 LEU CB C 13 44.454 0.300 . 1 . . . . 60 LEU CB . 10254 1 648 . 1 1 60 60 LEU CD1 C 13 25.995 0.300 . 2 . . . . 60 LEU CD1 . 10254 1 649 . 1 1 60 60 LEU CD2 C 13 25.531 0.300 . 2 . . . . 60 LEU CD2 . 10254 1 650 . 1 1 60 60 LEU CG C 13 28.014 0.300 . 1 . . . . 60 LEU CG . 10254 1 651 . 1 1 60 60 LEU N N 15 129.520 0.300 . 1 . . . . 60 LEU N . 10254 1 652 . 1 1 61 61 SER H H 1 9.077 0.030 . 1 . . . . 61 SER H . 10254 1 653 . 1 1 61 61 SER HA H 1 4.832 0.030 . 1 . . . . 61 SER HA . 10254 1 654 . 1 1 61 61 SER HB2 H 1 3.892 0.030 . 2 . . . . 61 SER HB2 . 10254 1 655 . 1 1 61 61 SER HB3 H 1 3.862 0.030 . 2 . . . . 61 SER HB3 . 10254 1 656 . 1 1 61 61 SER C C 13 172.173 0.300 . 1 . . . . 61 SER C . 10254 1 657 . 1 1 61 61 SER CA C 13 57.558 0.300 . 1 . . . . 61 SER CA . 10254 1 658 . 1 1 61 61 SER CB C 13 65.692 0.300 . 1 . . . . 61 SER CB . 10254 1 659 . 1 1 61 61 SER N N 15 117.374 0.300 . 1 . . . . 61 SER N . 10254 1 660 . 1 1 62 62 VAL H H 1 8.784 0.030 . 1 . . . . 62 VAL H . 10254 1 661 . 1 1 62 62 VAL HA H 1 4.927 0.030 . 1 . . . . 62 VAL HA . 10254 1 662 . 1 1 62 62 VAL HB H 1 2.189 0.030 . 1 . . . . 62 VAL HB . 10254 1 663 . 1 1 62 62 VAL HG11 H 1 1.215 0.030 . 1 . . . . 62 VAL HG1 . 10254 1 664 . 1 1 62 62 VAL HG12 H 1 1.215 0.030 . 1 . . . . 62 VAL HG1 . 10254 1 665 . 1 1 62 62 VAL HG13 H 1 1.215 0.030 . 1 . . . . 62 VAL HG1 . 10254 1 666 . 1 1 62 62 VAL HG21 H 1 1.022 0.030 . 1 . . . . 62 VAL HG2 . 10254 1 667 . 1 1 62 62 VAL HG22 H 1 1.022 0.030 . 1 . . . . 62 VAL HG2 . 10254 1 668 . 1 1 62 62 VAL HG23 H 1 1.022 0.030 . 1 . . . . 62 VAL HG2 . 10254 1 669 . 1 1 62 62 VAL C C 13 174.367 0.300 . 1 . . . . 62 VAL C . 10254 1 670 . 1 1 62 62 VAL CA C 13 59.782 0.300 . 1 . . . . 62 VAL CA . 10254 1 671 . 1 1 62 62 VAL CB C 13 33.518 0.300 . 1 . . . . 62 VAL CB . 10254 1 672 . 1 1 62 62 VAL CG1 C 13 21.344 0.300 . 2 . . . . 62 VAL CG1 . 10254 1 673 . 1 1 62 62 VAL CG2 C 13 21.060 0.300 . 2 . . . . 62 VAL CG2 . 10254 1 674 . 1 1 62 62 VAL N N 15 119.929 0.300 . 1 . . . . 62 VAL N . 10254 1 675 . 1 1 63 63 PRO HA H 1 4.495 0.030 . 1 . . . . 63 PRO HA . 10254 1 676 . 1 1 63 63 PRO HB2 H 1 2.424 0.030 . 2 . . . . 63 PRO HB2 . 10254 1 677 . 1 1 63 63 PRO HB3 H 1 1.962 0.030 . 2 . . . . 63 PRO HB3 . 10254 1 678 . 1 1 63 63 PRO HD2 H 1 3.994 0.030 . 2 . . . . 63 PRO HD2 . 10254 1 679 . 1 1 63 63 PRO HD3 H 1 3.882 0.030 . 2 . . . . 63 PRO HD3 . 10254 1 680 . 1 1 63 63 PRO HG2 H 1 1.983 0.030 . 1 . . . . 63 PRO HG2 . 10254 1 681 . 1 1 63 63 PRO HG3 H 1 1.983 0.030 . 1 . . . . 63 PRO HG3 . 10254 1 682 . 1 1 63 63 PRO CA C 13 62.526 0.300 . 1 . . . . 63 PRO CA . 10254 1 683 . 1 1 63 63 PRO CB C 13 32.504 0.300 . 1 . . . . 63 PRO CB . 10254 1 684 . 1 1 63 63 PRO CD C 13 51.508 0.300 . 1 . . . . 63 PRO CD . 10254 1 685 . 1 1 63 63 PRO CG C 13 27.624 0.300 . 1 . . . . 63 PRO CG . 10254 1 686 . 1 1 64 64 ASP H H 1 8.762 0.030 . 1 . . . . 64 ASP H . 10254 1 687 . 1 1 64 64 ASP HA H 1 4.780 0.030 . 1 . . . . 64 ASP HA . 10254 1 688 . 1 1 64 64 ASP HB2 H 1 2.863 0.030 . 2 . . . . 64 ASP HB2 . 10254 1 689 . 1 1 64 64 ASP HB3 H 1 2.643 0.030 . 2 . . . . 64 ASP HB3 . 10254 1 690 . 1 1 64 64 ASP CA C 13 53.231 0.300 . 1 . . . . 64 ASP CA . 10254 1 691 . 1 1 64 64 ASP CB C 13 41.105 0.300 . 1 . . . . 64 ASP CB . 10254 1 692 . 1 1 64 64 ASP N N 15 123.527 0.300 . 1 . . . . 64 ASP N . 10254 1 693 . 1 1 65 65 PRO HA H 1 4.371 0.030 . 1 . . . . 65 PRO HA . 10254 1 694 . 1 1 65 65 PRO HB2 H 1 2.395 0.030 . 2 . . . . 65 PRO HB2 . 10254 1 695 . 1 1 65 65 PRO HB3 H 1 1.981 0.030 . 2 . . . . 65 PRO HB3 . 10254 1 696 . 1 1 65 65 PRO HD2 H 1 3.840 0.030 . 2 . . . . 65 PRO HD2 . 10254 1 697 . 1 1 65 65 PRO HD3 H 1 3.961 0.030 . 2 . . . . 65 PRO HD3 . 10254 1 698 . 1 1 65 65 PRO HG2 H 1 2.083 0.030 . 2 . . . . 65 PRO HG2 . 10254 1 699 . 1 1 65 65 PRO HG3 H 1 2.121 0.030 . 2 . . . . 65 PRO HG3 . 10254 1 700 . 1 1 65 65 PRO C C 13 178.309 0.300 . 1 . . . . 65 PRO C . 10254 1 701 . 1 1 65 65 PRO CA C 13 64.829 0.300 . 1 . . . . 65 PRO CA . 10254 1 702 . 1 1 65 65 PRO CB C 13 32.136 0.300 . 1 . . . . 65 PRO CB . 10254 1 703 . 1 1 65 65 PRO CD C 13 51.011 0.300 . 1 . . . . 65 PRO CD . 10254 1 704 . 1 1 65 65 PRO CG C 13 27.487 0.300 . 1 . . . . 65 PRO CG . 10254 1 705 . 1 1 66 66 GLU H H 1 8.890 0.030 . 1 . . . . 66 GLU H . 10254 1 706 . 1 1 66 66 GLU HA H 1 4.129 0.030 . 1 . . . . 66 GLU HA . 10254 1 707 . 1 1 66 66 GLU HB2 H 1 2.080 0.030 . 2 . . . . 66 GLU HB2 . 10254 1 708 . 1 1 66 66 GLU HB3 H 1 1.982 0.030 . 2 . . . . 66 GLU HB3 . 10254 1 709 . 1 1 66 66 GLU HG2 H 1 2.290 0.030 . 1 . . . . 66 GLU HG2 . 10254 1 710 . 1 1 66 66 GLU HG3 H 1 2.290 0.030 . 1 . . . . 66 GLU HG3 . 10254 1 711 . 1 1 66 66 GLU C C 13 177.222 0.300 . 1 . . . . 66 GLU C . 10254 1 712 . 1 1 66 66 GLU CA C 13 57.805 0.300 . 1 . . . . 66 GLU CA . 10254 1 713 . 1 1 66 66 GLU CB C 13 29.334 0.300 . 1 . . . . 66 GLU CB . 10254 1 714 . 1 1 66 66 GLU CG C 13 36.824 0.300 . 1 . . . . 66 GLU CG . 10254 1 715 . 1 1 66 66 GLU N N 15 117.225 0.300 . 1 . . . . 66 GLU N . 10254 1 716 . 1 1 67 67 GLU H H 1 7.971 0.030 . 1 . . . . 67 GLU H . 10254 1 717 . 1 1 67 67 GLU HA H 1 4.136 0.030 . 1 . . . . 67 GLU HA . 10254 1 718 . 1 1 67 67 GLU HB2 H 1 2.061 0.030 . 2 . . . . 67 GLU HB2 . 10254 1 719 . 1 1 67 67 GLU HB3 H 1 1.973 0.030 . 2 . . . . 67 GLU HB3 . 10254 1 720 . 1 1 67 67 GLU HG2 H 1 2.299 0.030 . 2 . . . . 67 GLU HG2 . 10254 1 721 . 1 1 67 67 GLU HG3 H 1 2.193 0.030 . 2 . . . . 67 GLU HG3 . 10254 1 722 . 1 1 67 67 GLU C C 13 176.058 0.300 . 1 . . . . 67 GLU C . 10254 1 723 . 1 1 67 67 GLU CA C 13 57.328 0.300 . 1 . . . . 67 GLU CA . 10254 1 724 . 1 1 67 67 GLU CB C 13 29.594 0.300 . 1 . . . . 67 GLU CB . 10254 1 725 . 1 1 67 67 GLU CG C 13 37.110 0.300 . 1 . . . . 67 GLU CG . 10254 1 726 . 1 1 67 67 GLU N N 15 119.516 0.300 . 1 . . . . 67 GLU N . 10254 1 727 . 1 1 68 68 ARG H H 1 8.020 0.030 . 1 . . . . 68 ARG H . 10254 1 728 . 1 1 68 68 ARG HA H 1 4.043 0.030 . 1 . . . . 68 ARG HA . 10254 1 729 . 1 1 68 68 ARG HB2 H 1 1.762 0.030 . 1 . . . . 68 ARG HB2 . 10254 1 730 . 1 1 68 68 ARG HB3 H 1 1.762 0.030 . 1 . . . . 68 ARG HB3 . 10254 1 731 . 1 1 68 68 ARG HD2 H 1 3.121 0.030 . 1 . . . . 68 ARG HD2 . 10254 1 732 . 1 1 68 68 ARG HD3 H 1 3.121 0.030 . 1 . . . . 68 ARG HD3 . 10254 1 733 . 1 1 68 68 ARG HG2 H 1 1.556 0.030 . 2 . . . . 68 ARG HG2 . 10254 1 734 . 1 1 68 68 ARG HG3 H 1 1.462 0.030 . 2 . . . . 68 ARG HG3 . 10254 1 735 . 1 1 68 68 ARG C C 13 175.591 0.300 . 1 . . . . 68 ARG C . 10254 1 736 . 1 1 68 68 ARG CA C 13 56.075 0.300 . 1 . . . . 68 ARG CA . 10254 1 737 . 1 1 68 68 ARG CB C 13 28.927 0.300 . 1 . . . . 68 ARG CB . 10254 1 738 . 1 1 68 68 ARG CD C 13 43.379 0.300 . 1 . . . . 68 ARG CD . 10254 1 739 . 1 1 68 68 ARG CG C 13 27.204 0.300 . 1 . . . . 68 ARG CG . 10254 1 740 . 1 1 68 68 ARG N N 15 118.917 0.300 . 1 . . . . 68 ARG N . 10254 1 741 . 1 1 69 69 LEU H H 1 8.188 0.030 . 1 . . . . 69 LEU H . 10254 1 742 . 1 1 69 69 LEU HA H 1 4.372 0.030 . 1 . . . . 69 LEU HA . 10254 1 743 . 1 1 69 69 LEU HB2 H 1 1.591 0.030 . 2 . . . . 69 LEU HB2 . 10254 1 744 . 1 1 69 69 LEU HB3 H 1 1.312 0.030 . 2 . . . . 69 LEU HB3 . 10254 1 745 . 1 1 69 69 LEU HD11 H 1 0.592 0.030 . 1 . . . . 69 LEU HD1 . 10254 1 746 . 1 1 69 69 LEU HD12 H 1 0.592 0.030 . 1 . . . . 69 LEU HD1 . 10254 1 747 . 1 1 69 69 LEU HD13 H 1 0.592 0.030 . 1 . . . . 69 LEU HD1 . 10254 1 748 . 1 1 69 69 LEU HD21 H 1 0.682 0.030 . 1 . . . . 69 LEU HD2 . 10254 1 749 . 1 1 69 69 LEU HD22 H 1 0.682 0.030 . 1 . . . . 69 LEU HD2 . 10254 1 750 . 1 1 69 69 LEU HD23 H 1 0.682 0.030 . 1 . . . . 69 LEU HD2 . 10254 1 751 . 1 1 69 69 LEU HG H 1 1.441 0.030 . 1 . . . . 69 LEU HG . 10254 1 752 . 1 1 69 69 LEU C C 13 176.013 0.300 . 1 . . . . 69 LEU C . 10254 1 753 . 1 1 69 69 LEU CA C 13 54.682 0.300 . 1 . . . . 69 LEU CA . 10254 1 754 . 1 1 69 69 LEU CB C 13 43.238 0.300 . 1 . . . . 69 LEU CB . 10254 1 755 . 1 1 69 69 LEU CD1 C 13 25.804 0.300 . 2 . . . . 69 LEU CD1 . 10254 1 756 . 1 1 69 69 LEU CD2 C 13 23.330 0.300 . 2 . . . . 69 LEU CD2 . 10254 1 757 . 1 1 69 69 LEU CG C 13 26.882 0.300 . 1 . . . . 69 LEU CG . 10254 1 758 . 1 1 69 69 LEU N N 15 122.935 0.300 . 1 . . . . 69 LEU N . 10254 1 759 . 1 1 70 70 ASP H H 1 8.382 0.030 . 1 . . . . 70 ASP H . 10254 1 760 . 1 1 70 70 ASP HA H 1 4.123 0.030 . 1 . . . . 70 ASP HA . 10254 1 761 . 1 1 70 70 ASP HB2 H 1 1.963 0.030 . 2 . . . . 70 ASP HB2 . 10254 1 762 . 1 1 70 70 ASP HB3 H 1 1.544 0.030 . 2 . . . . 70 ASP HB3 . 10254 1 763 . 1 1 70 70 ASP C C 13 175.200 0.300 . 1 . . . . 70 ASP C . 10254 1 764 . 1 1 70 70 ASP CA C 13 54.558 0.300 . 1 . . . . 70 ASP CA . 10254 1 765 . 1 1 70 70 ASP CB C 13 40.634 0.300 . 1 . . . . 70 ASP CB . 10254 1 766 . 1 1 70 70 ASP N N 15 119.400 0.300 . 1 . . . . 70 ASP N . 10254 1 767 . 1 1 71 71 SER H H 1 7.391 0.030 . 1 . . . . 71 SER H . 10254 1 768 . 1 1 71 71 SER HA H 1 4.233 0.030 . 1 . . . . 71 SER HA . 10254 1 769 . 1 1 71 71 SER HB2 H 1 3.686 0.030 . 2 . . . . 71 SER HB2 . 10254 1 770 . 1 1 71 71 SER HB3 H 1 3.548 0.030 . 2 . . . . 71 SER HB3 . 10254 1 771 . 1 1 71 71 SER C C 13 174.294 0.300 . 1 . . . . 71 SER C . 10254 1 772 . 1 1 71 71 SER CA C 13 58.017 0.300 . 1 . . . . 71 SER CA . 10254 1 773 . 1 1 71 71 SER CB C 13 63.430 0.300 . 1 . . . . 71 SER CB . 10254 1 774 . 1 1 71 71 SER N N 15 114.807 0.300 . 1 . . . . 71 SER N . 10254 1 775 . 1 1 72 72 GLY H H 1 7.981 0.030 . 1 . . . . 72 GLY H . 10254 1 776 . 1 1 72 72 GLY HA2 H 1 3.702 0.030 . 2 . . . . 72 GLY HA2 . 10254 1 777 . 1 1 72 72 GLY HA3 H 1 3.610 0.030 . 2 . . . . 72 GLY HA3 . 10254 1 778 . 1 1 72 72 GLY C C 13 172.912 0.300 . 1 . . . . 72 GLY C . 10254 1 779 . 1 1 72 72 GLY CA C 13 44.675 0.300 . 1 . . . . 72 GLY CA . 10254 1 780 . 1 1 72 72 GLY N N 15 108.675 0.300 . 1 . . . . 72 GLY N . 10254 1 781 . 1 1 73 73 HIS H H 1 8.462 0.030 . 1 . . . . 73 HIS H . 10254 1 782 . 1 1 73 73 HIS HA H 1 4.859 0.030 . 1 . . . . 73 HIS HA . 10254 1 783 . 1 1 73 73 HIS HB2 H 1 3.331 0.030 . 2 . . . . 73 HIS HB2 . 10254 1 784 . 1 1 73 73 HIS HB3 H 1 2.751 0.030 . 2 . . . . 73 HIS HB3 . 10254 1 785 . 1 1 73 73 HIS HD2 H 1 6.641 0.030 . 1 . . . . 73 HIS HD2 . 10254 1 786 . 1 1 73 73 HIS HE1 H 1 7.914 0.030 . 1 . . . . 73 HIS HE1 . 10254 1 787 . 1 1 73 73 HIS C C 13 174.804 0.300 . 1 . . . . 73 HIS C . 10254 1 788 . 1 1 73 73 HIS CA C 13 54.700 0.300 . 1 . . . . 73 HIS CA . 10254 1 789 . 1 1 73 73 HIS CB C 13 28.762 0.300 . 1 . . . . 73 HIS CB . 10254 1 790 . 1 1 73 73 HIS CD2 C 13 120.746 0.300 . 1 . . . . 73 HIS CD2 . 10254 1 791 . 1 1 73 73 HIS CE1 C 13 138.100 0.300 . 1 . . . . 73 HIS CE1 . 10254 1 792 . 1 1 73 73 HIS N N 15 122.843 0.300 . 1 . . . . 73 HIS N . 10254 1 793 . 1 1 74 74 VAL H H 1 7.682 0.030 . 1 . . . . 74 VAL H . 10254 1 794 . 1 1 74 74 VAL HA H 1 5.402 0.030 . 1 . . . . 74 VAL HA . 10254 1 795 . 1 1 74 74 VAL HB H 1 1.948 0.030 . 1 . . . . 74 VAL HB . 10254 1 796 . 1 1 74 74 VAL HG11 H 1 0.811 0.030 . 1 . . . . 74 VAL HG1 . 10254 1 797 . 1 1 74 74 VAL HG12 H 1 0.811 0.030 . 1 . . . . 74 VAL HG1 . 10254 1 798 . 1 1 74 74 VAL HG13 H 1 0.811 0.030 . 1 . . . . 74 VAL HG1 . 10254 1 799 . 1 1 74 74 VAL HG21 H 1 1.056 0.030 . 1 . . . . 74 VAL HG2 . 10254 1 800 . 1 1 74 74 VAL HG22 H 1 1.056 0.030 . 1 . . . . 74 VAL HG2 . 10254 1 801 . 1 1 74 74 VAL HG23 H 1 1.056 0.030 . 1 . . . . 74 VAL HG2 . 10254 1 802 . 1 1 74 74 VAL C C 13 176.121 0.300 . 1 . . . . 74 VAL C . 10254 1 803 . 1 1 74 74 VAL CA C 13 61.246 0.300 . 1 . . . . 74 VAL CA . 10254 1 804 . 1 1 74 74 VAL CB C 13 35.383 0.300 . 1 . . . . 74 VAL CB . 10254 1 805 . 1 1 74 74 VAL CG1 C 13 22.549 0.300 . 2 . . . . 74 VAL CG1 . 10254 1 806 . 1 1 74 74 VAL CG2 C 13 23.204 0.300 . 2 . . . . 74 VAL CG2 . 10254 1 807 . 1 1 74 74 VAL N N 15 120.824 0.300 . 1 . . . . 74 VAL N . 10254 1 808 . 1 1 75 75 TRP H H 1 9.581 0.030 . 1 . . . . 75 TRP H . 10254 1 809 . 1 1 75 75 TRP HA H 1 5.342 0.030 . 1 . . . . 75 TRP HA . 10254 1 810 . 1 1 75 75 TRP HB2 H 1 3.612 0.030 . 2 . . . . 75 TRP HB2 . 10254 1 811 . 1 1 75 75 TRP HB3 H 1 3.363 0.030 . 2 . . . . 75 TRP HB3 . 10254 1 812 . 1 1 75 75 TRP HD1 H 1 6.832 0.030 . 1 . . . . 75 TRP HD1 . 10254 1 813 . 1 1 75 75 TRP HE1 H 1 7.170 0.030 . 1 . . . . 75 TRP HE1 . 10254 1 814 . 1 1 75 75 TRP HE3 H 1 7.562 0.030 . 1 . . . . 75 TRP HE3 . 10254 1 815 . 1 1 75 75 TRP HH2 H 1 6.644 0.030 . 1 . . . . 75 TRP HH2 . 10254 1 816 . 1 1 75 75 TRP HZ2 H 1 6.515 0.030 . 1 . . . . 75 TRP HZ2 . 10254 1 817 . 1 1 75 75 TRP HZ3 H 1 6.922 0.030 . 1 . . . . 75 TRP HZ3 . 10254 1 818 . 1 1 75 75 TRP C C 13 171.123 0.300 . 1 . . . . 75 TRP C . 10254 1 819 . 1 1 75 75 TRP CA C 13 57.046 0.300 . 1 . . . . 75 TRP CA . 10254 1 820 . 1 1 75 75 TRP CB C 13 32.834 0.300 . 1 . . . . 75 TRP CB . 10254 1 821 . 1 1 75 75 TRP CD1 C 13 125.614 0.300 . 1 . . . . 75 TRP CD1 . 10254 1 822 . 1 1 75 75 TRP CE3 C 13 123.432 0.300 . 1 . . . . 75 TRP CE3 . 10254 1 823 . 1 1 75 75 TRP CH2 C 13 125.084 0.300 . 1 . . . . 75 TRP CH2 . 10254 1 824 . 1 1 75 75 TRP CZ2 C 13 113.119 0.300 . 1 . . . . 75 TRP CZ2 . 10254 1 825 . 1 1 75 75 TRP CZ3 C 13 121.276 0.300 . 1 . . . . 75 TRP CZ3 . 10254 1 826 . 1 1 75 75 TRP N N 15 124.656 0.300 . 1 . . . . 75 TRP N . 10254 1 827 . 1 1 75 75 TRP NE1 N 15 120.111 0.300 . 1 . . . . 75 TRP NE1 . 10254 1 828 . 1 1 76 76 LYS H H 1 9.557 0.030 . 1 . . . . 76 LYS H . 10254 1 829 . 1 1 76 76 LYS HA H 1 5.192 0.030 . 1 . . . . 76 LYS HA . 10254 1 830 . 1 1 76 76 LYS HB2 H 1 1.830 0.030 . 2 . . . . 76 LYS HB2 . 10254 1 831 . 1 1 76 76 LYS HB3 H 1 1.262 0.030 . 2 . . . . 76 LYS HB3 . 10254 1 832 . 1 1 76 76 LYS HD2 H 1 1.247 0.030 . 1 . . . . 76 LYS HD2 . 10254 1 833 . 1 1 76 76 LYS HD3 H 1 1.247 0.030 . 1 . . . . 76 LYS HD3 . 10254 1 834 . 1 1 76 76 LYS HE2 H 1 2.452 0.030 . 2 . . . . 76 LYS HE2 . 10254 1 835 . 1 1 76 76 LYS HE3 H 1 2.331 0.030 . 2 . . . . 76 LYS HE3 . 10254 1 836 . 1 1 76 76 LYS HG2 H 1 0.662 0.030 . 2 . . . . 76 LYS HG2 . 10254 1 837 . 1 1 76 76 LYS HG3 H 1 0.922 0.030 . 2 . . . . 76 LYS HG3 . 10254 1 838 . 1 1 76 76 LYS C C 13 174.801 0.300 . 1 . . . . 76 LYS C . 10254 1 839 . 1 1 76 76 LYS CA C 13 54.876 0.300 . 1 . . . . 76 LYS CA . 10254 1 840 . 1 1 76 76 LYS CB C 13 36.740 0.300 . 1 . . . . 76 LYS CB . 10254 1 841 . 1 1 76 76 LYS CD C 13 29.667 0.300 . 1 . . . . 76 LYS CD . 10254 1 842 . 1 1 76 76 LYS CE C 13 41.816 0.300 . 1 . . . . 76 LYS CE . 10254 1 843 . 1 1 76 76 LYS CG C 13 25.074 0.300 . 1 . . . . 76 LYS CG . 10254 1 844 . 1 1 76 76 LYS N N 15 121.724 0.300 . 1 . . . . 76 LYS N . 10254 1 845 . 1 1 77 77 LEU H H 1 8.957 0.030 . 1 . . . . 77 LEU H . 10254 1 846 . 1 1 77 77 LEU HA H 1 5.272 0.030 . 1 . . . . 77 LEU HA . 10254 1 847 . 1 1 77 77 LEU HB2 H 1 1.659 0.030 . 1 . . . . 77 LEU HB2 . 10254 1 848 . 1 1 77 77 LEU HB3 H 1 1.659 0.030 . 1 . . . . 77 LEU HB3 . 10254 1 849 . 1 1 77 77 LEU HD11 H 1 0.848 0.030 . 1 . . . . 77 LEU HD1 . 10254 1 850 . 1 1 77 77 LEU HD12 H 1 0.848 0.030 . 1 . . . . 77 LEU HD1 . 10254 1 851 . 1 1 77 77 LEU HD13 H 1 0.848 0.030 . 1 . . . . 77 LEU HD1 . 10254 1 852 . 1 1 77 77 LEU HD21 H 1 0.974 0.030 . 1 . . . . 77 LEU HD2 . 10254 1 853 . 1 1 77 77 LEU HD22 H 1 0.974 0.030 . 1 . . . . 77 LEU HD2 . 10254 1 854 . 1 1 77 77 LEU HD23 H 1 0.974 0.030 . 1 . . . . 77 LEU HD2 . 10254 1 855 . 1 1 77 77 LEU HG H 1 1.726 0.030 . 1 . . . . 77 LEU HG . 10254 1 856 . 1 1 77 77 LEU C C 13 174.927 0.300 . 1 . . . . 77 LEU C . 10254 1 857 . 1 1 77 77 LEU CA C 13 54.046 0.300 . 1 . . . . 77 LEU CA . 10254 1 858 . 1 1 77 77 LEU CB C 13 46.281 0.300 . 1 . . . . 77 LEU CB . 10254 1 859 . 1 1 77 77 LEU CD1 C 13 26.500 0.300 . 2 . . . . 77 LEU CD1 . 10254 1 860 . 1 1 77 77 LEU CD2 C 13 25.314 0.300 . 2 . . . . 77 LEU CD2 . 10254 1 861 . 1 1 77 77 LEU CG C 13 27.619 0.300 . 1 . . . . 77 LEU CG . 10254 1 862 . 1 1 77 77 LEU N N 15 124.578 0.300 . 1 . . . . 77 LEU N . 10254 1 863 . 1 1 78 78 GLN H H 1 8.629 0.030 . 1 . . . . 78 GLN H . 10254 1 864 . 1 1 78 78 GLN HA H 1 5.308 0.030 . 1 . . . . 78 GLN HA . 10254 1 865 . 1 1 78 78 GLN HB2 H 1 2.134 0.030 . 2 . . . . 78 GLN HB2 . 10254 1 866 . 1 1 78 78 GLN HB3 H 1 1.925 0.030 . 2 . . . . 78 GLN HB3 . 10254 1 867 . 1 1 78 78 GLN HE21 H 1 7.482 0.030 . 2 . . . . 78 GLN HE21 . 10254 1 868 . 1 1 78 78 GLN HE22 H 1 6.797 0.030 . 2 . . . . 78 GLN HE22 . 10254 1 869 . 1 1 78 78 GLN HG2 H 1 2.352 0.030 . 2 . . . . 78 GLN HG2 . 10254 1 870 . 1 1 78 78 GLN HG3 H 1 2.231 0.030 . 2 . . . . 78 GLN HG3 . 10254 1 871 . 1 1 78 78 GLN C C 13 174.564 0.300 . 1 . . . . 78 GLN C . 10254 1 872 . 1 1 78 78 GLN CA C 13 54.452 0.300 . 1 . . . . 78 GLN CA . 10254 1 873 . 1 1 78 78 GLN CB C 13 32.833 0.300 . 1 . . . . 78 GLN CB . 10254 1 874 . 1 1 78 78 GLN CG C 13 34.088 0.300 . 1 . . . . 78 GLN CG . 10254 1 875 . 1 1 78 78 GLN N N 15 121.344 0.300 . 1 . . . . 78 GLN N . 10254 1 876 . 1 1 78 78 GLN NE2 N 15 112.152 0.300 . 1 . . . . 78 GLN NE2 . 10254 1 877 . 1 1 79 79 TRP H H 1 8.601 0.030 . 1 . . . . 79 TRP H . 10254 1 878 . 1 1 79 79 TRP HA H 1 5.003 0.030 . 1 . . . . 79 TRP HA . 10254 1 879 . 1 1 79 79 TRP HB2 H 1 3.604 0.030 . 2 . . . . 79 TRP HB2 . 10254 1 880 . 1 1 79 79 TRP HB3 H 1 3.054 0.030 . 2 . . . . 79 TRP HB3 . 10254 1 881 . 1 1 79 79 TRP HD1 H 1 7.115 0.030 . 1 . . . . 79 TRP HD1 . 10254 1 882 . 1 1 79 79 TRP HE1 H 1 10.161 0.030 . 1 . . . . 79 TRP HE1 . 10254 1 883 . 1 1 79 79 TRP HE3 H 1 7.385 0.030 . 1 . . . . 79 TRP HE3 . 10254 1 884 . 1 1 79 79 TRP HH2 H 1 6.773 0.030 . 1 . . . . 79 TRP HH2 . 10254 1 885 . 1 1 79 79 TRP HZ2 H 1 7.322 0.030 . 1 . . . . 79 TRP HZ2 . 10254 1 886 . 1 1 79 79 TRP HZ3 H 1 6.927 0.030 . 1 . . . . 79 TRP HZ3 . 10254 1 887 . 1 1 79 79 TRP C C 13 173.001 0.300 . 1 . . . . 79 TRP C . 10254 1 888 . 1 1 79 79 TRP CA C 13 56.323 0.300 . 1 . . . . 79 TRP CA . 10254 1 889 . 1 1 79 79 TRP CB C 13 32.258 0.300 . 1 . . . . 79 TRP CB . 10254 1 890 . 1 1 79 79 TRP CD1 C 13 126.685 0.300 . 1 . . . . 79 TRP CD1 . 10254 1 891 . 1 1 79 79 TRP CE3 C 13 122.729 0.300 . 1 . . . . 79 TRP CE3 . 10254 1 892 . 1 1 79 79 TRP CH2 C 13 124.839 0.300 . 1 . . . . 79 TRP CH2 . 10254 1 893 . 1 1 79 79 TRP CZ2 C 13 114.276 0.300 . 1 . . . . 79 TRP CZ2 . 10254 1 894 . 1 1 79 79 TRP CZ3 C 13 121.375 0.300 . 1 . . . . 79 TRP CZ3 . 10254 1 895 . 1 1 79 79 TRP N N 15 128.274 0.300 . 1 . . . . 79 TRP N . 10254 1 896 . 1 1 79 79 TRP NE1 N 15 128.047 0.300 . 1 . . . . 79 TRP NE1 . 10254 1 897 . 1 1 80 80 ALA H H 1 9.181 0.030 . 1 . . . . 80 ALA H . 10254 1 898 . 1 1 80 80 ALA HA H 1 3.933 0.030 . 1 . . . . 80 ALA HA . 10254 1 899 . 1 1 80 80 ALA HB1 H 1 1.352 0.030 . 1 . . . . 80 ALA HB . 10254 1 900 . 1 1 80 80 ALA HB2 H 1 1.352 0.030 . 1 . . . . 80 ALA HB . 10254 1 901 . 1 1 80 80 ALA HB3 H 1 1.352 0.030 . 1 . . . . 80 ALA HB . 10254 1 902 . 1 1 80 80 ALA C C 13 177.360 0.300 . 1 . . . . 80 ALA C . 10254 1 903 . 1 1 80 80 ALA CA C 13 54.222 0.300 . 1 . . . . 80 ALA CA . 10254 1 904 . 1 1 80 80 ALA CB C 13 17.329 0.300 . 1 . . . . 80 ALA CB . 10254 1 905 . 1 1 80 80 ALA N N 15 126.348 0.300 . 1 . . . . 80 ALA N . 10254 1 906 . 1 1 81 81 LYS H H 1 8.163 0.030 . 1 . . . . 81 LYS H . 10254 1 907 . 1 1 81 81 LYS HA H 1 4.290 0.030 . 1 . . . . 81 LYS HA . 10254 1 908 . 1 1 81 81 LYS HB2 H 1 1.993 0.030 . 2 . . . . 81 LYS HB2 . 10254 1 909 . 1 1 81 81 LYS HB3 H 1 1.671 0.030 . 2 . . . . 81 LYS HB3 . 10254 1 910 . 1 1 81 81 LYS HD2 H 1 1.602 0.030 . 1 . . . . 81 LYS HD2 . 10254 1 911 . 1 1 81 81 LYS HD3 H 1 1.602 0.030 . 1 . . . . 81 LYS HD3 . 10254 1 912 . 1 1 81 81 LYS HE2 H 1 2.932 0.030 . 1 . . . . 81 LYS HE2 . 10254 1 913 . 1 1 81 81 LYS HE3 H 1 2.932 0.030 . 1 . . . . 81 LYS HE3 . 10254 1 914 . 1 1 81 81 LYS HG2 H 1 1.391 0.030 . 2 . . . . 81 LYS HG2 . 10254 1 915 . 1 1 81 81 LYS HG3 H 1 1.302 0.030 . 2 . . . . 81 LYS HG3 . 10254 1 916 . 1 1 81 81 LYS C C 13 176.068 0.300 . 1 . . . . 81 LYS C . 10254 1 917 . 1 1 81 81 LYS CA C 13 56.305 0.300 . 1 . . . . 81 LYS CA . 10254 1 918 . 1 1 81 81 LYS CB C 13 31.312 0.300 . 1 . . . . 81 LYS CB . 10254 1 919 . 1 1 81 81 LYS CD C 13 28.794 0.300 . 1 . . . . 81 LYS CD . 10254 1 920 . 1 1 81 81 LYS CE C 13 42.128 0.300 . 1 . . . . 81 LYS CE . 10254 1 921 . 1 1 81 81 LYS CG C 13 25.102 0.300 . 1 . . . . 81 LYS CG . 10254 1 922 . 1 1 81 81 LYS N N 15 120.289 0.300 . 1 . . . . 81 LYS N . 10254 1 923 . 1 1 82 82 GLN H H 1 8.423 0.030 . 1 . . . . 82 GLN H . 10254 1 924 . 1 1 82 82 GLN HA H 1 4.255 0.030 . 1 . . . . 82 GLN HA . 10254 1 925 . 1 1 82 82 GLN HB2 H 1 0.914 0.030 . 2 . . . . 82 GLN HB2 . 10254 1 926 . 1 1 82 82 GLN HB3 H 1 1.261 0.030 . 2 . . . . 82 GLN HB3 . 10254 1 927 . 1 1 82 82 GLN HE21 H 1 7.238 0.030 . 2 . . . . 82 GLN HE21 . 10254 1 928 . 1 1 82 82 GLN HE22 H 1 6.837 0.030 . 2 . . . . 82 GLN HE22 . 10254 1 929 . 1 1 82 82 GLN HG2 H 1 1.793 0.030 . 2 . . . . 82 GLN HG2 . 10254 1 930 . 1 1 82 82 GLN HG3 H 1 1.912 0.030 . 2 . . . . 82 GLN HG3 . 10254 1 931 . 1 1 82 82 GLN C C 13 174.996 0.300 . 1 . . . . 82 GLN C . 10254 1 932 . 1 1 82 82 GLN CA C 13 54.805 0.300 . 1 . . . . 82 GLN CA . 10254 1 933 . 1 1 82 82 GLN CB C 13 30.942 0.300 . 1 . . . . 82 GLN CB . 10254 1 934 . 1 1 82 82 GLN CG C 13 33.409 0.300 . 1 . . . . 82 GLN CG . 10254 1 935 . 1 1 82 82 GLN N N 15 119.918 0.300 . 1 . . . . 82 GLN N . 10254 1 936 . 1 1 82 82 GLN NE2 N 15 112.819 0.300 . 1 . . . . 82 GLN NE2 . 10254 1 937 . 1 1 83 83 SER H H 1 7.683 0.030 . 1 . . . . 83 SER H . 10254 1 938 . 1 1 83 83 SER HA H 1 4.991 0.030 . 1 . . . . 83 SER HA . 10254 1 939 . 1 1 83 83 SER HB2 H 1 3.399 0.030 . 2 . . . . 83 SER HB2 . 10254 1 940 . 1 1 83 83 SER HB3 H 1 3.341 0.030 . 2 . . . . 83 SER HB3 . 10254 1 941 . 1 1 83 83 SER C C 13 171.947 0.300 . 1 . . . . 83 SER C . 10254 1 942 . 1 1 83 83 SER CA C 13 57.629 0.300 . 1 . . . . 83 SER CA . 10254 1 943 . 1 1 83 83 SER CB C 13 64.664 0.300 . 1 . . . . 83 SER CB . 10254 1 944 . 1 1 83 83 SER N N 15 115.649 0.300 . 1 . . . . 83 SER N . 10254 1 945 . 1 1 84 84 TRP H H 1 8.665 0.030 . 1 . . . . 84 TRP H . 10254 1 946 . 1 1 84 84 TRP HA H 1 4.714 0.030 . 1 . . . . 84 TRP HA . 10254 1 947 . 1 1 84 84 TRP HB2 H 1 3.131 0.030 . 2 . . . . 84 TRP HB2 . 10254 1 948 . 1 1 84 84 TRP HB3 H 1 2.663 0.030 . 2 . . . . 84 TRP HB3 . 10254 1 949 . 1 1 84 84 TRP HD1 H 1 6.902 0.030 . 1 . . . . 84 TRP HD1 . 10254 1 950 . 1 1 84 84 TRP HE1 H 1 10.349 0.030 . 1 . . . . 84 TRP HE1 . 10254 1 951 . 1 1 84 84 TRP HE3 H 1 7.296 0.030 . 1 . . . . 84 TRP HE3 . 10254 1 952 . 1 1 84 84 TRP HH2 H 1 7.112 0.030 . 1 . . . . 84 TRP HH2 . 10254 1 953 . 1 1 84 84 TRP HZ2 H 1 7.398 0.030 . 1 . . . . 84 TRP HZ2 . 10254 1 954 . 1 1 84 84 TRP HZ3 H 1 6.932 0.030 . 1 . . . . 84 TRP HZ3 . 10254 1 955 . 1 1 84 84 TRP C C 13 174.105 0.300 . 1 . . . . 84 TRP C . 10254 1 956 . 1 1 84 84 TRP CA C 13 56.834 0.300 . 1 . . . . 84 TRP CA . 10254 1 957 . 1 1 84 84 TRP CB C 13 33.368 0.300 . 1 . . . . 84 TRP CB . 10254 1 958 . 1 1 84 84 TRP CD1 C 13 126.218 0.300 . 1 . . . . 84 TRP CD1 . 10254 1 959 . 1 1 84 84 TRP CE3 C 13 120.191 0.300 . 1 . . . . 84 TRP CE3 . 10254 1 960 . 1 1 84 84 TRP CH2 C 13 124.307 0.300 . 1 . . . . 84 TRP CH2 . 10254 1 961 . 1 1 84 84 TRP CZ2 C 13 114.707 0.300 . 1 . . . . 84 TRP CZ2 . 10254 1 962 . 1 1 84 84 TRP CZ3 C 13 121.439 0.300 . 1 . . . . 84 TRP CZ3 . 10254 1 963 . 1 1 84 84 TRP N N 15 122.334 0.300 . 1 . . . . 84 TRP N . 10254 1 964 . 1 1 84 84 TRP NE1 N 15 128.462 0.300 . 1 . . . . 84 TRP NE1 . 10254 1 965 . 1 1 85 85 TYR H H 1 9.220 0.030 . 1 . . . . 85 TYR H . 10254 1 966 . 1 1 85 85 TYR HA H 1 5.209 0.030 . 1 . . . . 85 TYR HA . 10254 1 967 . 1 1 85 85 TYR HB2 H 1 2.860 0.030 . 2 . . . . 85 TYR HB2 . 10254 1 968 . 1 1 85 85 TYR HB3 H 1 2.633 0.030 . 2 . . . . 85 TYR HB3 . 10254 1 969 . 1 1 85 85 TYR HD1 H 1 6.648 0.030 . 1 . . . . 85 TYR HD1 . 10254 1 970 . 1 1 85 85 TYR HD2 H 1 6.648 0.030 . 1 . . . . 85 TYR HD2 . 10254 1 971 . 1 1 85 85 TYR HE1 H 1 6.482 0.030 . 1 . . . . 85 TYR HE1 . 10254 1 972 . 1 1 85 85 TYR HE2 H 1 6.482 0.030 . 1 . . . . 85 TYR HE2 . 10254 1 973 . 1 1 85 85 TYR C C 13 175.136 0.300 . 1 . . . . 85 TYR C . 10254 1 974 . 1 1 85 85 TYR CA C 13 56.993 0.300 . 1 . . . . 85 TYR CA . 10254 1 975 . 1 1 85 85 TYR CB C 13 41.058 0.300 . 1 . . . . 85 TYR CB . 10254 1 976 . 1 1 85 85 TYR CD1 C 13 132.525 0.300 . 1 . . . . 85 TYR CD1 . 10254 1 977 . 1 1 85 85 TYR CD2 C 13 132.525 0.300 . 1 . . . . 85 TYR CD2 . 10254 1 978 . 1 1 85 85 TYR CE1 C 13 117.899 0.300 . 1 . . . . 85 TYR CE1 . 10254 1 979 . 1 1 85 85 TYR CE2 C 13 117.899 0.300 . 1 . . . . 85 TYR CE2 . 10254 1 980 . 1 1 85 85 TYR N N 15 117.934 0.300 . 1 . . . . 85 TYR N . 10254 1 981 . 1 1 86 86 LEU H H 1 8.662 0.030 . 1 . . . . 86 LEU H . 10254 1 982 . 1 1 86 86 LEU HA H 1 5.172 0.030 . 1 . . . . 86 LEU HA . 10254 1 983 . 1 1 86 86 LEU HB2 H 1 0.173 0.030 . 2 . . . . 86 LEU HB2 . 10254 1 984 . 1 1 86 86 LEU HB3 H 1 -0.557 0.030 . 2 . . . . 86 LEU HB3 . 10254 1 985 . 1 1 86 86 LEU HD11 H 1 1.232 0.030 . 1 . . . . 86 LEU HD1 . 10254 1 986 . 1 1 86 86 LEU HD12 H 1 1.232 0.030 . 1 . . . . 86 LEU HD1 . 10254 1 987 . 1 1 86 86 LEU HD13 H 1 1.232 0.030 . 1 . . . . 86 LEU HD1 . 10254 1 988 . 1 1 86 86 LEU HD21 H 1 0.477 0.030 . 1 . . . . 86 LEU HD2 . 10254 1 989 . 1 1 86 86 LEU HD22 H 1 0.477 0.030 . 1 . . . . 86 LEU HD2 . 10254 1 990 . 1 1 86 86 LEU HD23 H 1 0.477 0.030 . 1 . . . . 86 LEU HD2 . 10254 1 991 . 1 1 86 86 LEU HG H 1 1.722 0.030 . 1 . . . . 86 LEU HG . 10254 1 992 . 1 1 86 86 LEU C C 13 174.454 0.300 . 1 . . . . 86 LEU C . 10254 1 993 . 1 1 86 86 LEU CA C 13 53.587 0.300 . 1 . . . . 86 LEU CA . 10254 1 994 . 1 1 86 86 LEU CB C 13 43.773 0.300 . 1 . . . . 86 LEU CB . 10254 1 995 . 1 1 86 86 LEU CD1 C 13 28.474 0.300 . 2 . . . . 86 LEU CD1 . 10254 1 996 . 1 1 86 86 LEU CD2 C 13 25.571 0.300 . 2 . . . . 86 LEU CD2 . 10254 1 997 . 1 1 86 86 LEU CG C 13 27.634 0.300 . 1 . . . . 86 LEU CG . 10254 1 998 . 1 1 86 86 LEU N N 15 121.945 0.300 . 1 . . . . 86 LEU N . 10254 1 999 . 1 1 87 87 SER H H 1 8.642 0.030 . 1 . . . . 87 SER H . 10254 1 1000 . 1 1 87 87 SER HA H 1 4.995 0.030 . 1 . . . . 87 SER HA . 10254 1 1001 . 1 1 87 87 SER HB2 H 1 3.181 0.030 . 1 . . . . 87 SER HB2 . 10254 1 1002 . 1 1 87 87 SER HB3 H 1 3.181 0.030 . 1 . . . . 87 SER HB3 . 10254 1 1003 . 1 1 87 87 SER C C 13 173.683 0.300 . 1 . . . . 87 SER C . 10254 1 1004 . 1 1 87 87 SER CA C 13 55.052 0.300 . 1 . . . . 87 SER CA . 10254 1 1005 . 1 1 87 87 SER CB C 13 65.487 0.300 . 1 . . . . 87 SER CB . 10254 1 1006 . 1 1 87 87 SER N N 15 111.719 0.300 . 1 . . . . 87 SER N . 10254 1 1007 . 1 1 88 88 ALA H H 1 8.472 0.030 . 1 . . . . 88 ALA H . 10254 1 1008 . 1 1 88 88 ALA HA H 1 5.184 0.030 . 1 . . . . 88 ALA HA . 10254 1 1009 . 1 1 88 88 ALA HB1 H 1 1.721 0.030 . 1 . . . . 88 ALA HB . 10254 1 1010 . 1 1 88 88 ALA HB2 H 1 1.721 0.030 . 1 . . . . 88 ALA HB . 10254 1 1011 . 1 1 88 88 ALA HB3 H 1 1.721 0.030 . 1 . . . . 88 ALA HB . 10254 1 1012 . 1 1 88 88 ALA C C 13 178.012 0.300 . 1 . . . . 88 ALA C . 10254 1 1013 . 1 1 88 88 ALA CA C 13 49.423 0.300 . 1 . . . . 88 ALA CA . 10254 1 1014 . 1 1 88 88 ALA CB C 13 22.919 0.300 . 1 . . . . 88 ALA CB . 10254 1 1015 . 1 1 88 88 ALA N N 15 126.939 0.300 . 1 . . . . 88 ALA N . 10254 1 1016 . 1 1 89 89 SER H H 1 8.182 0.030 . 1 . . . . 89 SER H . 10254 1 1017 . 1 1 89 89 SER HA H 1 4.274 0.030 . 1 . . . . 89 SER HA . 10254 1 1018 . 1 1 89 89 SER HB2 H 1 3.842 0.030 . 2 . . . . 89 SER HB2 . 10254 1 1019 . 1 1 89 89 SER HB3 H 1 4.132 0.030 . 2 . . . . 89 SER HB3 . 10254 1 1020 . 1 1 89 89 SER C C 13 174.039 0.300 . 1 . . . . 89 SER C . 10254 1 1021 . 1 1 89 89 SER CA C 13 60.135 0.300 . 1 . . . . 89 SER CA . 10254 1 1022 . 1 1 89 89 SER CB C 13 63.571 0.300 . 1 . . . . 89 SER CB . 10254 1 1023 . 1 1 89 89 SER N N 15 111.359 0.300 . 1 . . . . 89 SER N . 10254 1 1024 . 1 1 90 90 SER H H 1 7.392 0.030 . 1 . . . . 90 SER H . 10254 1 1025 . 1 1 90 90 SER HA H 1 4.383 0.030 . 1 . . . . 90 SER HA . 10254 1 1026 . 1 1 90 90 SER HB2 H 1 3.884 0.030 . 2 . . . . 90 SER HB2 . 10254 1 1027 . 1 1 90 90 SER HB3 H 1 4.172 0.030 . 2 . . . . 90 SER HB3 . 10254 1 1028 . 1 1 90 90 SER C C 13 173.114 0.300 . 1 . . . . 90 SER C . 10254 1 1029 . 1 1 90 90 SER CA C 13 56.023 0.300 . 1 . . . . 90 SER CA . 10254 1 1030 . 1 1 90 90 SER CB C 13 67.108 0.300 . 1 . . . . 90 SER CB . 10254 1 1031 . 1 1 90 90 SER N N 15 113.112 0.300 . 1 . . . . 90 SER N . 10254 1 1032 . 1 1 91 91 ALA H H 1 8.532 0.030 . 1 . . . . 91 ALA H . 10254 1 1033 . 1 1 91 91 ALA HA H 1 3.763 0.030 . 1 . . . . 91 ALA HA . 10254 1 1034 . 1 1 91 91 ALA HB1 H 1 1.347 0.030 . 1 . . . . 91 ALA HB . 10254 1 1035 . 1 1 91 91 ALA HB2 H 1 1.347 0.030 . 1 . . . . 91 ALA HB . 10254 1 1036 . 1 1 91 91 ALA HB3 H 1 1.347 0.030 . 1 . . . . 91 ALA HB . 10254 1 1037 . 1 1 91 91 ALA C C 13 179.816 0.300 . 1 . . . . 91 ALA C . 10254 1 1038 . 1 1 91 91 ALA CA C 13 54.699 0.300 . 1 . . . . 91 ALA CA . 10254 1 1039 . 1 1 91 91 ALA CB C 13 18.111 0.300 . 1 . . . . 91 ALA CB . 10254 1 1040 . 1 1 91 91 ALA N N 15 123.767 0.300 . 1 . . . . 91 ALA N . 10254 1 1041 . 1 1 92 92 GLU H H 1 8.766 0.030 . 1 . . . . 92 GLU H . 10254 1 1042 . 1 1 92 92 GLU HA H 1 3.942 0.030 . 1 . . . . 92 GLU HA . 10254 1 1043 . 1 1 92 92 GLU HB2 H 1 2.022 0.030 . 2 . . . . 92 GLU HB2 . 10254 1 1044 . 1 1 92 92 GLU HB3 H 1 1.871 0.030 . 2 . . . . 92 GLU HB3 . 10254 1 1045 . 1 1 92 92 GLU HG2 H 1 2.351 0.030 . 2 . . . . 92 GLU HG2 . 10254 1 1046 . 1 1 92 92 GLU HG3 H 1 2.212 0.030 . 2 . . . . 92 GLU HG3 . 10254 1 1047 . 1 1 92 92 GLU C C 13 179.568 0.300 . 1 . . . . 92 GLU C . 10254 1 1048 . 1 1 92 92 GLU CA C 13 60.206 0.300 . 1 . . . . 92 GLU CA . 10254 1 1049 . 1 1 92 92 GLU CB C 13 28.721 0.300 . 1 . . . . 92 GLU CB . 10254 1 1050 . 1 1 92 92 GLU CG C 13 36.781 0.300 . 1 . . . . 92 GLU CG . 10254 1 1051 . 1 1 92 92 GLU N N 15 118.712 0.300 . 1 . . . . 92 GLU N . 10254 1 1052 . 1 1 93 93 LEU H H 1 7.852 0.030 . 1 . . . . 93 LEU H . 10254 1 1053 . 1 1 93 93 LEU HA H 1 4.274 0.030 . 1 . . . . 93 LEU HA . 10254 1 1054 . 1 1 93 93 LEU HB2 H 1 1.863 0.030 . 2 . . . . 93 LEU HB2 . 10254 1 1055 . 1 1 93 93 LEU HB3 H 1 1.624 0.030 . 2 . . . . 93 LEU HB3 . 10254 1 1056 . 1 1 93 93 LEU HD11 H 1 1.126 0.030 . 1 . . . . 93 LEU HD1 . 10254 1 1057 . 1 1 93 93 LEU HD12 H 1 1.126 0.030 . 1 . . . . 93 LEU HD1 . 10254 1 1058 . 1 1 93 93 LEU HD13 H 1 1.126 0.030 . 1 . . . . 93 LEU HD1 . 10254 1 1059 . 1 1 93 93 LEU HD21 H 1 1.086 0.030 . 1 . . . . 93 LEU HD2 . 10254 1 1060 . 1 1 93 93 LEU HD22 H 1 1.086 0.030 . 1 . . . . 93 LEU HD2 . 10254 1 1061 . 1 1 93 93 LEU HD23 H 1 1.086 0.030 . 1 . . . . 93 LEU HD2 . 10254 1 1062 . 1 1 93 93 LEU HG H 1 1.682 0.030 . 1 . . . . 93 LEU HG . 10254 1 1063 . 1 1 93 93 LEU C C 13 178.805 0.300 . 1 . . . . 93 LEU C . 10254 1 1064 . 1 1 93 93 LEU CA C 13 57.382 0.300 . 1 . . . . 93 LEU CA . 10254 1 1065 . 1 1 93 93 LEU CB C 13 43.115 0.300 . 1 . . . . 93 LEU CB . 10254 1 1066 . 1 1 93 93 LEU CD1 C 13 24.744 0.300 . 2 . . . . 93 LEU CD1 . 10254 1 1067 . 1 1 93 93 LEU CD2 C 13 23.734 0.300 . 2 . . . . 93 LEU CD2 . 10254 1 1068 . 1 1 93 93 LEU CG C 13 27.734 0.300 . 1 . . . . 93 LEU CG . 10254 1 1069 . 1 1 93 93 LEU N N 15 121.212 0.300 . 1 . . . . 93 LEU N . 10254 1 1070 . 1 1 94 94 GLN H H 1 8.080 0.030 . 1 . . . . 94 GLN H . 10254 1 1071 . 1 1 94 94 GLN HA H 1 3.843 0.030 . 1 . . . . 94 GLN HA . 10254 1 1072 . 1 1 94 94 GLN HB2 H 1 2.672 0.030 . 2 . . . . 94 GLN HB2 . 10254 1 1073 . 1 1 94 94 GLN HB3 H 1 2.192 0.030 . 2 . . . . 94 GLN HB3 . 10254 1 1074 . 1 1 94 94 GLN HE21 H 1 6.202 0.030 . 2 . . . . 94 GLN HE21 . 10254 1 1075 . 1 1 94 94 GLN HE22 H 1 7.273 0.030 . 2 . . . . 94 GLN HE22 . 10254 1 1076 . 1 1 94 94 GLN HG2 H 1 2.073 0.030 . 2 . . . . 94 GLN HG2 . 10254 1 1077 . 1 1 94 94 GLN HG3 H 1 2.472 0.030 . 2 . . . . 94 GLN HG3 . 10254 1 1078 . 1 1 94 94 GLN C C 13 176.960 0.300 . 1 . . . . 94 GLN C . 10254 1 1079 . 1 1 94 94 GLN CA C 13 59.694 0.300 . 1 . . . . 94 GLN CA . 10254 1 1080 . 1 1 94 94 GLN CB C 13 28.063 0.300 . 1 . . . . 94 GLN CB . 10254 1 1081 . 1 1 94 94 GLN CG C 13 33.054 0.300 . 1 . . . . 94 GLN CG . 10254 1 1082 . 1 1 94 94 GLN N N 15 120.439 0.300 . 1 . . . . 94 GLN N . 10254 1 1083 . 1 1 94 94 GLN NE2 N 15 108.917 0.300 . 1 . . . . 94 GLN NE2 . 10254 1 1084 . 1 1 95 95 GLN H H 1 8.293 0.030 . 1 . . . . 95 GLN H . 10254 1 1085 . 1 1 95 95 GLN HA H 1 3.779 0.030 . 1 . . . . 95 GLN HA . 10254 1 1086 . 1 1 95 95 GLN HB2 H 1 2.123 0.030 . 2 . . . . 95 GLN HB2 . 10254 1 1087 . 1 1 95 95 GLN HB3 H 1 2.072 0.030 . 2 . . . . 95 GLN HB3 . 10254 1 1088 . 1 1 95 95 GLN HE21 H 1 6.751 0.030 . 2 . . . . 95 GLN HE21 . 10254 1 1089 . 1 1 95 95 GLN HE22 H 1 7.550 0.030 . 2 . . . . 95 GLN HE22 . 10254 1 1090 . 1 1 95 95 GLN HG2 H 1 2.412 0.030 . 1 . . . . 95 GLN HG2 . 10254 1 1091 . 1 1 95 95 GLN HG3 H 1 2.412 0.030 . 1 . . . . 95 GLN HG3 . 10254 1 1092 . 1 1 95 95 GLN C C 13 177.938 0.300 . 1 . . . . 95 GLN C . 10254 1 1093 . 1 1 95 95 GLN CA C 13 59.005 0.300 . 1 . . . . 95 GLN CA . 10254 1 1094 . 1 1 95 95 GLN CB C 13 27.610 0.300 . 1 . . . . 95 GLN CB . 10254 1 1095 . 1 1 95 95 GLN CG C 13 33.374 0.300 . 1 . . . . 95 GLN CG . 10254 1 1096 . 1 1 95 95 GLN N N 15 117.408 0.300 . 1 . . . . 95 GLN N . 10254 1 1097 . 1 1 95 95 GLN NE2 N 15 112.144 0.300 . 1 . . . . 95 GLN NE2 . 10254 1 1098 . 1 1 96 96 GLN H H 1 7.731 0.030 . 1 . . . . 96 GLN H . 10254 1 1099 . 1 1 96 96 GLN HA H 1 3.966 0.030 . 1 . . . . 96 GLN HA . 10254 1 1100 . 1 1 96 96 GLN HB2 H 1 1.992 0.030 . 1 . . . . 96 GLN HB2 . 10254 1 1101 . 1 1 96 96 GLN HB3 H 1 1.992 0.030 . 1 . . . . 96 GLN HB3 . 10254 1 1102 . 1 1 96 96 GLN HE21 H 1 7.214 0.030 . 2 . . . . 96 GLN HE21 . 10254 1 1103 . 1 1 96 96 GLN HE22 H 1 6.581 0.030 . 2 . . . . 96 GLN HE22 . 10254 1 1104 . 1 1 96 96 GLN HG2 H 1 2.310 0.030 . 2 . . . . 96 GLN HG2 . 10254 1 1105 . 1 1 96 96 GLN HG3 H 1 1.987 0.030 . 2 . . . . 96 GLN HG3 . 10254 1 1106 . 1 1 96 96 GLN C C 13 179.685 0.300 . 1 . . . . 96 GLN C . 10254 1 1107 . 1 1 96 96 GLN CA C 13 58.987 0.300 . 1 . . . . 96 GLN CA . 10254 1 1108 . 1 1 96 96 GLN CB C 13 28.433 0.300 . 1 . . . . 96 GLN CB . 10254 1 1109 . 1 1 96 96 GLN CG C 13 33.738 0.300 . 1 . . . . 96 GLN CG . 10254 1 1110 . 1 1 96 96 GLN N N 15 119.621 0.300 . 1 . . . . 96 GLN N . 10254 1 1111 . 1 1 96 96 GLN NE2 N 15 111.021 0.300 . 1 . . . . 96 GLN NE2 . 10254 1 1112 . 1 1 97 97 TRP H H 1 8.410 0.030 . 1 . . . . 97 TRP H . 10254 1 1113 . 1 1 97 97 TRP HA H 1 3.792 0.030 . 1 . . . . 97 TRP HA . 10254 1 1114 . 1 1 97 97 TRP HB2 H 1 2.741 0.030 . 2 . . . . 97 TRP HB2 . 10254 1 1115 . 1 1 97 97 TRP HB3 H 1 2.613 0.030 . 2 . . . . 97 TRP HB3 . 10254 1 1116 . 1 1 97 97 TRP HD1 H 1 7.177 0.030 . 1 . . . . 97 TRP HD1 . 10254 1 1117 . 1 1 97 97 TRP HE1 H 1 10.833 0.030 . 1 . . . . 97 TRP HE1 . 10254 1 1118 . 1 1 97 97 TRP HE3 H 1 7.227 0.030 . 1 . . . . 97 TRP HE3 . 10254 1 1119 . 1 1 97 97 TRP HH2 H 1 6.461 0.030 . 1 . . . . 97 TRP HH2 . 10254 1 1120 . 1 1 97 97 TRP HZ2 H 1 6.789 0.030 . 1 . . . . 97 TRP HZ2 . 10254 1 1121 . 1 1 97 97 TRP HZ3 H 1 6.661 0.030 . 1 . . . . 97 TRP HZ3 . 10254 1 1122 . 1 1 97 97 TRP C C 13 178.515 0.300 . 1 . . . . 97 TRP C . 10254 1 1123 . 1 1 97 97 TRP CA C 13 61.670 0.300 . 1 . . . . 97 TRP CA . 10254 1 1124 . 1 1 97 97 TRP CB C 13 29.972 0.300 . 1 . . . . 97 TRP CB . 10254 1 1125 . 1 1 97 97 TRP CD1 C 13 126.685 0.300 . 1 . . . . 97 TRP CD1 . 10254 1 1126 . 1 1 97 97 TRP CE3 C 13 118.700 0.300 . 1 . . . . 97 TRP CE3 . 10254 1 1127 . 1 1 97 97 TRP CH2 C 13 123.666 0.300 . 1 . . . . 97 TRP CH2 . 10254 1 1128 . 1 1 97 97 TRP CZ2 C 13 114.067 0.300 . 1 . . . . 97 TRP CZ2 . 10254 1 1129 . 1 1 97 97 TRP CZ3 C 13 120.672 0.300 . 1 . . . . 97 TRP CZ3 . 10254 1 1130 . 1 1 97 97 TRP N N 15 121.370 0.300 . 1 . . . . 97 TRP N . 10254 1 1131 . 1 1 97 97 TRP NE1 N 15 130.062 0.300 . 1 . . . . 97 TRP NE1 . 10254 1 1132 . 1 1 98 98 LEU H H 1 8.505 0.030 . 1 . . . . 98 LEU H . 10254 1 1133 . 1 1 98 98 LEU HA H 1 3.485 0.030 . 1 . . . . 98 LEU HA . 10254 1 1134 . 1 1 98 98 LEU HB2 H 1 1.562 0.030 . 2 . . . . 98 LEU HB2 . 10254 1 1135 . 1 1 98 98 LEU HB3 H 1 1.230 0.030 . 2 . . . . 98 LEU HB3 . 10254 1 1136 . 1 1 98 98 LEU HD11 H 1 0.572 0.030 . 1 . . . . 98 LEU HD1 . 10254 1 1137 . 1 1 98 98 LEU HD12 H 1 0.572 0.030 . 1 . . . . 98 LEU HD1 . 10254 1 1138 . 1 1 98 98 LEU HD13 H 1 0.572 0.030 . 1 . . . . 98 LEU HD1 . 10254 1 1139 . 1 1 98 98 LEU HD21 H 1 0.272 0.030 . 1 . . . . 98 LEU HD2 . 10254 1 1140 . 1 1 98 98 LEU HD22 H 1 0.272 0.030 . 1 . . . . 98 LEU HD2 . 10254 1 1141 . 1 1 98 98 LEU HD23 H 1 0.272 0.030 . 1 . . . . 98 LEU HD2 . 10254 1 1142 . 1 1 98 98 LEU HG H 1 1.062 0.030 . 1 . . . . 98 LEU HG . 10254 1 1143 . 1 1 98 98 LEU C C 13 180.194 0.300 . 1 . . . . 98 LEU C . 10254 1 1144 . 1 1 98 98 LEU CA C 13 58.706 0.300 . 1 . . . . 98 LEU CA . 10254 1 1145 . 1 1 98 98 LEU CB C 13 41.141 0.300 . 1 . . . . 98 LEU CB . 10254 1 1146 . 1 1 98 98 LEU CD1 C 13 25.334 0.300 . 2 . . . . 98 LEU CD1 . 10254 1 1147 . 1 1 98 98 LEU CD2 C 13 22.767 0.300 . 2 . . . . 98 LEU CD2 . 10254 1 1148 . 1 1 98 98 LEU CG C 13 26.911 0.300 . 1 . . . . 98 LEU CG . 10254 1 1149 . 1 1 98 98 LEU N N 15 119.038 0.300 . 1 . . . . 98 LEU N . 10254 1 1150 . 1 1 99 99 GLU H H 1 8.241 0.030 . 1 . . . . 99 GLU H . 10254 1 1151 . 1 1 99 99 GLU HA H 1 3.927 0.030 . 1 . . . . 99 GLU HA . 10254 1 1152 . 1 1 99 99 GLU HB2 H 1 2.044 0.030 . 2 . . . . 99 GLU HB2 . 10254 1 1153 . 1 1 99 99 GLU HB3 H 1 1.952 0.030 . 2 . . . . 99 GLU HB3 . 10254 1 1154 . 1 1 99 99 GLU HG2 H 1 2.313 0.030 . 2 . . . . 99 GLU HG2 . 10254 1 1155 . 1 1 99 99 GLU HG3 H 1 2.182 0.030 . 2 . . . . 99 GLU HG3 . 10254 1 1156 . 1 1 99 99 GLU C C 13 179.082 0.300 . 1 . . . . 99 GLU C . 10254 1 1157 . 1 1 99 99 GLU CA C 13 59.587 0.300 . 1 . . . . 99 GLU CA . 10254 1 1158 . 1 1 99 99 GLU CB C 13 29.296 0.300 . 1 . . . . 99 GLU CB . 10254 1 1159 . 1 1 99 99 GLU CG C 13 36.288 0.300 . 1 . . . . 99 GLU CG . 10254 1 1160 . 1 1 99 99 GLU N N 15 119.886 0.300 . 1 . . . . 99 GLU N . 10254 1 1161 . 1 1 100 100 THR H H 1 7.780 0.030 . 1 . . . . 100 THR H . 10254 1 1162 . 1 1 100 100 THR HA H 1 3.862 0.030 . 1 . . . . 100 THR HA . 10254 1 1163 . 1 1 100 100 THR HB H 1 3.812 0.030 . 1 . . . . 100 THR HB . 10254 1 1164 . 1 1 100 100 THR HG21 H 1 0.982 0.030 . 1 . . . . 100 THR HG2 . 10254 1 1165 . 1 1 100 100 THR HG22 H 1 0.982 0.030 . 1 . . . . 100 THR HG2 . 10254 1 1166 . 1 1 100 100 THR HG23 H 1 0.982 0.030 . 1 . . . . 100 THR HG2 . 10254 1 1167 . 1 1 100 100 THR C C 13 176.899 0.300 . 1 . . . . 100 THR C . 10254 1 1168 . 1 1 100 100 THR CA C 13 67.088 0.300 . 1 . . . . 100 THR CA . 10254 1 1169 . 1 1 100 100 THR CB C 13 68.178 0.300 . 1 . . . . 100 THR CB . 10254 1 1170 . 1 1 100 100 THR CG2 C 13 21.501 0.300 . 1 . . . . 100 THR CG2 . 10254 1 1171 . 1 1 100 100 THR N N 15 116.913 0.300 . 1 . . . . 100 THR N . 10254 1 1172 . 1 1 101 101 LEU H H 1 9.159 0.030 . 1 . . . . 101 LEU H . 10254 1 1173 . 1 1 101 101 LEU HA H 1 3.993 0.030 . 1 . . . . 101 LEU HA . 10254 1 1174 . 1 1 101 101 LEU HB2 H 1 1.921 0.030 . 2 . . . . 101 LEU HB2 . 10254 1 1175 . 1 1 101 101 LEU HB3 H 1 1.342 0.030 . 2 . . . . 101 LEU HB3 . 10254 1 1176 . 1 1 101 101 LEU HD11 H 1 1.003 0.030 . 1 . . . . 101 LEU HD1 . 10254 1 1177 . 1 1 101 101 LEU HD12 H 1 1.003 0.030 . 1 . . . . 101 LEU HD1 . 10254 1 1178 . 1 1 101 101 LEU HD13 H 1 1.003 0.030 . 1 . . . . 101 LEU HD1 . 10254 1 1179 . 1 1 101 101 LEU HD21 H 1 1.083 0.030 . 1 . . . . 101 LEU HD2 . 10254 1 1180 . 1 1 101 101 LEU HD22 H 1 1.083 0.030 . 1 . . . . 101 LEU HD2 . 10254 1 1181 . 1 1 101 101 LEU HD23 H 1 1.083 0.030 . 1 . . . . 101 LEU HD2 . 10254 1 1182 . 1 1 101 101 LEU HG H 1 2.362 0.030 . 1 . . . . 101 LEU HG . 10254 1 1183 . 1 1 101 101 LEU C C 13 178.416 0.300 . 1 . . . . 101 LEU C . 10254 1 1184 . 1 1 101 101 LEU CA C 13 58.017 0.300 . 1 . . . . 101 LEU CA . 10254 1 1185 . 1 1 101 101 LEU CB C 13 42.004 0.300 . 1 . . . . 101 LEU CB . 10254 1 1186 . 1 1 101 101 LEU CD1 C 13 27.204 0.300 . 2 . . . . 101 LEU CD1 . 10254 1 1187 . 1 1 101 101 LEU CD2 C 13 25.074 0.300 . 2 . . . . 101 LEU CD2 . 10254 1 1188 . 1 1 101 101 LEU CG C 13 27.264 0.300 . 1 . . . . 101 LEU CG . 10254 1 1189 . 1 1 101 101 LEU N N 15 121.065 0.300 . 1 . . . . 101 LEU N . 10254 1 1190 . 1 1 102 102 SER H H 1 7.978 0.030 . 1 . . . . 102 SER H . 10254 1 1191 . 1 1 102 102 SER HA H 1 4.094 0.030 . 1 . . . . 102 SER HA . 10254 1 1192 . 1 1 102 102 SER HB2 H 1 3.992 0.030 . 2 . . . . 102 SER HB2 . 10254 1 1193 . 1 1 102 102 SER HB3 H 1 3.903 0.030 . 2 . . . . 102 SER HB3 . 10254 1 1194 . 1 1 102 102 SER C C 13 176.370 0.300 . 1 . . . . 102 SER C . 10254 1 1195 . 1 1 102 102 SER CA C 13 61.794 0.300 . 1 . . . . 102 SER CA . 10254 1 1196 . 1 1 102 102 SER CB C 13 62.855 0.300 . 1 . . . . 102 SER CB . 10254 1 1197 . 1 1 102 102 SER N N 15 112.923 0.300 . 1 . . . . 102 SER N . 10254 1 1198 . 1 1 103 103 THR H H 1 7.683 0.030 . 1 . . . . 103 THR H . 10254 1 1199 . 1 1 103 103 THR HA H 1 4.020 0.030 . 1 . . . . 103 THR HA . 10254 1 1200 . 1 1 103 103 THR HB H 1 4.262 0.030 . 1 . . . . 103 THR HB . 10254 1 1201 . 1 1 103 103 THR HG21 H 1 1.244 0.030 . 1 . . . . 103 THR HG2 . 10254 1 1202 . 1 1 103 103 THR HG22 H 1 1.244 0.030 . 1 . . . . 103 THR HG2 . 10254 1 1203 . 1 1 103 103 THR HG23 H 1 1.244 0.030 . 1 . . . . 103 THR HG2 . 10254 1 1204 . 1 1 103 103 THR C C 13 176.061 0.300 . 1 . . . . 103 THR C . 10254 1 1205 . 1 1 103 103 THR CA C 13 65.412 0.300 . 1 . . . . 103 THR CA . 10254 1 1206 . 1 1 103 103 THR CB C 13 68.918 0.300 . 1 . . . . 103 THR CB . 10254 1 1207 . 1 1 103 103 THR CG2 C 13 21.647 0.300 . 1 . . . . 103 THR CG2 . 10254 1 1208 . 1 1 103 103 THR N N 15 116.420 0.300 . 1 . . . . 103 THR N . 10254 1 1209 . 1 1 104 104 ALA H H 1 7.760 0.030 . 1 . . . . 104 ALA H . 10254 1 1210 . 1 1 104 104 ALA HA H 1 4.272 0.030 . 1 . . . . 104 ALA HA . 10254 1 1211 . 1 1 104 104 ALA HB1 H 1 1.472 0.030 . 1 . . . . 104 ALA HB . 10254 1 1212 . 1 1 104 104 ALA HB2 H 1 1.472 0.030 . 1 . . . . 104 ALA HB . 10254 1 1213 . 1 1 104 104 ALA HB3 H 1 1.472 0.030 . 1 . . . . 104 ALA HB . 10254 1 1214 . 1 1 104 104 ALA C C 13 178.160 0.300 . 1 . . . . 104 ALA C . 10254 1 1215 . 1 1 104 104 ALA CA C 13 54.011 0.300 . 1 . . . . 104 ALA CA . 10254 1 1216 . 1 1 104 104 ALA CB C 13 20.155 0.300 . 1 . . . . 104 ALA CB . 10254 1 1217 . 1 1 104 104 ALA N N 15 123.981 0.300 . 1 . . . . 104 ALA N . 10254 1 1218 . 1 1 105 105 ALA H H 1 7.824 0.030 . 1 . . . . 105 ALA H . 10254 1 1219 . 1 1 105 105 ALA HA H 1 4.092 0.030 . 1 . . . . 105 ALA HA . 10254 1 1220 . 1 1 105 105 ALA HB1 H 1 1.304 0.030 . 1 . . . . 105 ALA HB . 10254 1 1221 . 1 1 105 105 ALA HB2 H 1 1.304 0.030 . 1 . . . . 105 ALA HB . 10254 1 1222 . 1 1 105 105 ALA HB3 H 1 1.304 0.030 . 1 . . . . 105 ALA HB . 10254 1 1223 . 1 1 105 105 ALA C C 13 177.657 0.300 . 1 . . . . 105 ALA C . 10254 1 1224 . 1 1 105 105 ALA CA C 13 53.058 0.300 . 1 . . . . 105 ALA CA . 10254 1 1225 . 1 1 105 105 ALA CB C 13 19.067 0.300 . 1 . . . . 105 ALA CB . 10254 1 1226 . 1 1 105 105 ALA N N 15 118.227 0.300 . 1 . . . . 105 ALA N . 10254 1 1227 . 1 1 106 106 HIS H H 1 7.675 0.030 . 1 . . . . 106 HIS H . 10254 1 1228 . 1 1 106 106 HIS HA H 1 4.703 0.030 . 1 . . . . 106 HIS HA . 10254 1 1229 . 1 1 106 106 HIS HB2 H 1 3.298 0.030 . 2 . . . . 106 HIS HB2 . 10254 1 1230 . 1 1 106 106 HIS HB3 H 1 3.161 0.030 . 2 . . . . 106 HIS HB3 . 10254 1 1231 . 1 1 106 106 HIS HD2 H 1 7.153 0.030 . 1 . . . . 106 HIS HD2 . 10254 1 1232 . 1 1 106 106 HIS HE1 H 1 8.024 0.030 . 1 . . . . 106 HIS HE1 . 10254 1 1233 . 1 1 106 106 HIS C C 13 175.296 0.300 . 1 . . . . 106 HIS C . 10254 1 1234 . 1 1 106 106 HIS CA C 13 56.287 0.300 . 1 . . . . 106 HIS CA . 10254 1 1235 . 1 1 106 106 HIS CB C 13 30.407 0.300 . 1 . . . . 106 HIS CB . 10254 1 1236 . 1 1 106 106 HIS CD2 C 13 120.781 0.300 . 1 . . . . 106 HIS CD2 . 10254 1 1237 . 1 1 106 106 HIS CE1 C 13 137.748 0.300 . 1 . . . . 106 HIS CE1 . 10254 1 1238 . 1 1 106 106 HIS N N 15 115.860 0.300 . 1 . . . . 106 HIS N . 10254 1 1239 . 1 1 107 107 SER H H 1 8.015 0.030 . 1 . . . . 107 SER H . 10254 1 1240 . 1 1 107 107 SER HA H 1 4.560 0.030 . 1 . . . . 107 SER HA . 10254 1 1241 . 1 1 107 107 SER HB2 H 1 3.912 0.030 . 2 . . . . 107 SER HB2 . 10254 1 1242 . 1 1 107 107 SER HB3 H 1 3.989 0.030 . 2 . . . . 107 SER HB3 . 10254 1 1243 . 1 1 107 107 SER C C 13 174.345 0.300 . 1 . . . . 107 SER C . 10254 1 1244 . 1 1 107 107 SER CA C 13 58.546 0.300 . 1 . . . . 107 SER CA . 10254 1 1245 . 1 1 107 107 SER CB C 13 64.130 0.300 . 1 . . . . 107 SER CB . 10254 1 1246 . 1 1 107 107 SER N N 15 116.310 0.300 . 1 . . . . 107 SER N . 10254 1 1247 . 1 1 108 108 GLY H H 1 8.282 0.030 . 1 . . . . 108 GLY H . 10254 1 1248 . 1 1 108 108 GLY HA2 H 1 4.213 0.030 . 2 . . . . 108 GLY HA2 . 10254 1 1249 . 1 1 108 108 GLY HA3 H 1 4.042 0.030 . 2 . . . . 108 GLY HA3 . 10254 1 1250 . 1 1 108 108 GLY C C 13 171.750 0.300 . 1 . . . . 108 GLY C . 10254 1 1251 . 1 1 108 108 GLY CA C 13 44.640 0.300 . 1 . . . . 108 GLY CA . 10254 1 1252 . 1 1 108 108 GLY N N 15 110.511 0.300 . 1 . . . . 108 GLY N . 10254 1 1253 . 1 1 109 109 PRO HA H 1 4.497 0.030 . 1 . . . . 109 PRO HA . 10254 1 1254 . 1 1 109 109 PRO HB2 H 1 2.300 0.030 . 2 . . . . 109 PRO HB2 . 10254 1 1255 . 1 1 109 109 PRO HB3 H 1 1.992 0.030 . 2 . . . . 109 PRO HB3 . 10254 1 1256 . 1 1 109 109 PRO HD2 H 1 3.632 0.030 . 1 . . . . 109 PRO HD2 . 10254 1 1257 . 1 1 109 109 PRO HD3 H 1 3.632 0.030 . 1 . . . . 109 PRO HD3 . 10254 1 1258 . 1 1 109 109 PRO HG2 H 1 2.022 0.030 . 1 . . . . 109 PRO HG2 . 10254 1 1259 . 1 1 109 109 PRO HG3 H 1 2.022 0.030 . 1 . . . . 109 PRO HG3 . 10254 1 1260 . 1 1 109 109 PRO C C 13 177.419 0.300 . 1 . . . . 109 PRO C . 10254 1 1261 . 1 1 109 109 PRO CA C 13 63.241 0.300 . 1 . . . . 109 PRO CA . 10254 1 1262 . 1 1 109 109 PRO CB C 13 32.264 0.300 . 1 . . . . 109 PRO CB . 10254 1 1263 . 1 1 109 109 PRO CD C 13 49.777 0.300 . 1 . . . . 109 PRO CD . 10254 1 1264 . 1 1 109 109 PRO CG C 13 27.158 0.300 . 1 . . . . 109 PRO CG . 10254 1 1265 . 1 1 110 110 SER H H 1 8.558 0.030 . 1 . . . . 110 SER H . 10254 1 1266 . 1 1 110 110 SER C C 13 174.715 0.300 . 1 . . . . 110 SER C . 10254 1 1267 . 1 1 110 110 SER CA C 13 58.335 0.300 . 1 . . . . 110 SER CA . 10254 1 1268 . 1 1 110 110 SER CB C 13 63.759 0.300 . 1 . . . . 110 SER CB . 10254 1 1269 . 1 1 110 110 SER N N 15 116.470 0.300 . 1 . . . . 110 SER N . 10254 1 1270 . 1 1 111 111 SER H H 1 8.357 0.030 . 1 . . . . 111 SER H . 10254 1 1271 . 1 1 111 111 SER C C 13 173.931 0.300 . 1 . . . . 111 SER C . 10254 1 1272 . 1 1 111 111 SER CA C 13 58.335 0.300 . 1 . . . . 111 SER CA . 10254 1 1273 . 1 1 111 111 SER N N 15 117.961 0.300 . 1 . . . . 111 SER N . 10254 1 stop_ save_