data_10327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10327 _Entry.Title ; Solution structure of the filamin domain from human tripartite motif protein 45 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-02 _Entry.Accession_date 2009-04-02 _Entry.Last_release_date 2010-04-07 _Entry.Original_release_date 2010-04-07 _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 T. Tomizawa . . . 10327 2 S. Koshiba . . . 10327 3 S. Watanabe . . . 10327 4 T. Harada . . . 10327 5 T. Kigawa . . . 10327 6 S. Yokoyama . . . 10327 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' 10327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 10327 '15N chemical shifts' 113 10327 '1H chemical shifts' 765 10327 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 . . 2010-04-07 2009-04-02 original author . 10327 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DS4 'BMRB Entry Tracking System' 10327 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10327 _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 filamin domain from human tripartite motif protein 45' _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 T. Tomizawa . . . 10327 1 2 S. Koshiba . . . 10327 1 3 S. Watanabe . . . 10327 1 4 T. Harada . . . 10327 1 5 T. Kigawa . . . 10327 1 6 S. Yokoyama . . . 10327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10327 _Assembly.ID 1 _Assembly.Name 'Tripartite motif protein 45' _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 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10327 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 2DS4 . . . . . . 10327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin 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 ; GSSGSSGEVDPAKCVLQGED LHRAREKQTASFTLLCKDAA GEIMGRGGDNVQVAVVPKDK KDSPVRTMVQDNKDGTYYIS YTPKEPGVYTVWVCIKEQHV QGSPFTVTVRRKH ; _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 113 _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 2DS4 . "Solution Structure Of The Filamin Domain From Human Tripartite Motif Protein 45" . . . . . 100.00 113 100.00 100.00 6.05e-77 . . . . 10327 1 2 no DBJ BAB14484 . "unnamed protein product [Homo sapiens]" . . . . . 96.46 580 97.25 99.08 6.40e-67 . . . . 10327 1 3 no DBJ BAD96621 . "tripartite motif-containing 45 variant [Homo sapiens]" . . . . . 96.46 580 97.25 99.08 7.19e-67 . . . . 10327 1 4 no GB AAH34943 . "TRIM45 protein [Homo sapiens]" . . . . . 83.19 562 100.00 100.00 8.85e-58 . . . . 10327 1 5 no GB AAT76864 . "tripartite motif-containing 45 [Homo sapiens]" . . . . . 96.46 580 97.25 99.08 6.40e-67 . . . . 10327 1 6 no GB ABZ92546 . "tripartite motif-containing 45 [synthetic construct]" . . . . . 83.19 562 100.00 100.00 8.85e-58 . . . . 10327 1 7 no GB EAW56668 . "tripartite motif-containing 45, isoform CRA_a [Homo sapiens]" . . . . . 83.19 562 98.94 98.94 4.69e-57 . . . . 10327 1 8 no REF NP_001139107 . "tripartite motif-containing protein 45 isoform 2 [Homo sapiens]" . . . . . 83.19 562 98.94 98.94 4.69e-57 . . . . 10327 1 9 no REF XP_003806334 . "PREDICTED: tripartite motif-containing protein 45 isoform X1 [Pan paniscus]" . . . . . 96.46 580 97.25 99.08 8.33e-67 . . . . 10327 1 10 no REF XP_004026476 . "PREDICTED: tripartite motif-containing protein 45 isoform 2 [Gorilla gorilla gorilla]" . . . . . 83.19 562 97.87 100.00 6.47e-57 . . . . 10327 1 11 no REF XP_008950245 . "PREDICTED: tripartite motif-containing protein 45 isoform X2 [Pan paniscus]" . . . . . 96.46 523 97.25 99.08 3.57e-67 . . . . 10327 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10327 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 . 10327 1 2 . SER . 10327 1 3 . SER . 10327 1 4 . GLY . 10327 1 5 . SER . 10327 1 6 . SER . 10327 1 7 . GLY . 10327 1 8 . GLU . 10327 1 9 . VAL . 10327 1 10 . ASP . 10327 1 11 . PRO . 10327 1 12 . ALA . 10327 1 13 . LYS . 10327 1 14 . CYS . 10327 1 15 . VAL . 10327 1 16 . LEU . 10327 1 17 . GLN . 10327 1 18 . GLY . 10327 1 19 . GLU . 10327 1 20 . ASP . 10327 1 21 . LEU . 10327 1 22 . HIS . 10327 1 23 . ARG . 10327 1 24 . ALA . 10327 1 25 . ARG . 10327 1 26 . GLU . 10327 1 27 . LYS . 10327 1 28 . GLN . 10327 1 29 . THR . 10327 1 30 . ALA . 10327 1 31 . SER . 10327 1 32 . PHE . 10327 1 33 . THR . 10327 1 34 . LEU . 10327 1 35 . LEU . 10327 1 36 . CYS . 10327 1 37 . LYS . 10327 1 38 . ASP . 10327 1 39 . ALA . 10327 1 40 . ALA . 10327 1 41 . GLY . 10327 1 42 . GLU . 10327 1 43 . ILE . 10327 1 44 . MET . 10327 1 45 . GLY . 10327 1 46 . ARG . 10327 1 47 . GLY . 10327 1 48 . GLY . 10327 1 49 . ASP . 10327 1 50 . ASN . 10327 1 51 . VAL . 10327 1 52 . GLN . 10327 1 53 . VAL . 10327 1 54 . ALA . 10327 1 55 . VAL . 10327 1 56 . VAL . 10327 1 57 . PRO . 10327 1 58 . LYS . 10327 1 59 . ASP . 10327 1 60 . LYS . 10327 1 61 . LYS . 10327 1 62 . ASP . 10327 1 63 . SER . 10327 1 64 . PRO . 10327 1 65 . VAL . 10327 1 66 . ARG . 10327 1 67 . THR . 10327 1 68 . MET . 10327 1 69 . VAL . 10327 1 70 . GLN . 10327 1 71 . ASP . 10327 1 72 . ASN . 10327 1 73 . LYS . 10327 1 74 . ASP . 10327 1 75 . GLY . 10327 1 76 . THR . 10327 1 77 . TYR . 10327 1 78 . TYR . 10327 1 79 . ILE . 10327 1 80 . SER . 10327 1 81 . TYR . 10327 1 82 . THR . 10327 1 83 . PRO . 10327 1 84 . LYS . 10327 1 85 . GLU . 10327 1 86 . PRO . 10327 1 87 . GLY . 10327 1 88 . VAL . 10327 1 89 . TYR . 10327 1 90 . THR . 10327 1 91 . VAL . 10327 1 92 . TRP . 10327 1 93 . VAL . 10327 1 94 . CYS . 10327 1 95 . ILE . 10327 1 96 . LYS . 10327 1 97 . GLU . 10327 1 98 . GLN . 10327 1 99 . HIS . 10327 1 100 . VAL . 10327 1 101 . GLN . 10327 1 102 . GLY . 10327 1 103 . SER . 10327 1 104 . PRO . 10327 1 105 . PHE . 10327 1 106 . THR . 10327 1 107 . VAL . 10327 1 108 . THR . 10327 1 109 . VAL . 10327 1 110 . ARG . 10327 1 111 . ARG . 10327 1 112 . LYS . 10327 1 113 . HIS . 10327 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 10327 1 . SER 2 2 10327 1 . SER 3 3 10327 1 . GLY 4 4 10327 1 . SER 5 5 10327 1 . SER 6 6 10327 1 . GLY 7 7 10327 1 . GLU 8 8 10327 1 . VAL 9 9 10327 1 . ASP 10 10 10327 1 . PRO 11 11 10327 1 . ALA 12 12 10327 1 . LYS 13 13 10327 1 . CYS 14 14 10327 1 . VAL 15 15 10327 1 . LEU 16 16 10327 1 . GLN 17 17 10327 1 . GLY 18 18 10327 1 . GLU 19 19 10327 1 . ASP 20 20 10327 1 . LEU 21 21 10327 1 . HIS 22 22 10327 1 . ARG 23 23 10327 1 . ALA 24 24 10327 1 . ARG 25 25 10327 1 . GLU 26 26 10327 1 . LYS 27 27 10327 1 . GLN 28 28 10327 1 . THR 29 29 10327 1 . ALA 30 30 10327 1 . SER 31 31 10327 1 . PHE 32 32 10327 1 . THR 33 33 10327 1 . LEU 34 34 10327 1 . LEU 35 35 10327 1 . CYS 36 36 10327 1 . LYS 37 37 10327 1 . ASP 38 38 10327 1 . ALA 39 39 10327 1 . ALA 40 40 10327 1 . GLY 41 41 10327 1 . GLU 42 42 10327 1 . ILE 43 43 10327 1 . MET 44 44 10327 1 . GLY 45 45 10327 1 . ARG 46 46 10327 1 . GLY 47 47 10327 1 . GLY 48 48 10327 1 . ASP 49 49 10327 1 . ASN 50 50 10327 1 . VAL 51 51 10327 1 . GLN 52 52 10327 1 . VAL 53 53 10327 1 . ALA 54 54 10327 1 . VAL 55 55 10327 1 . VAL 56 56 10327 1 . PRO 57 57 10327 1 . LYS 58 58 10327 1 . ASP 59 59 10327 1 . LYS 60 60 10327 1 . LYS 61 61 10327 1 . ASP 62 62 10327 1 . SER 63 63 10327 1 . PRO 64 64 10327 1 . VAL 65 65 10327 1 . ARG 66 66 10327 1 . THR 67 67 10327 1 . MET 68 68 10327 1 . VAL 69 69 10327 1 . GLN 70 70 10327 1 . ASP 71 71 10327 1 . ASN 72 72 10327 1 . LYS 73 73 10327 1 . ASP 74 74 10327 1 . GLY 75 75 10327 1 . THR 76 76 10327 1 . TYR 77 77 10327 1 . TYR 78 78 10327 1 . ILE 79 79 10327 1 . SER 80 80 10327 1 . TYR 81 81 10327 1 . THR 82 82 10327 1 . PRO 83 83 10327 1 . LYS 84 84 10327 1 . GLU 85 85 10327 1 . PRO 86 86 10327 1 . GLY 87 87 10327 1 . VAL 88 88 10327 1 . TYR 89 89 10327 1 . THR 90 90 10327 1 . VAL 91 91 10327 1 . TRP 92 92 10327 1 . VAL 93 93 10327 1 . CYS 94 94 10327 1 . ILE 95 95 10327 1 . LYS 96 96 10327 1 . GLU 97 97 10327 1 . GLN 98 98 10327 1 . HIS 99 99 10327 1 . VAL 100 100 10327 1 . GLN 101 101 10327 1 . GLY 102 102 10327 1 . SER 103 103 10327 1 . PRO 104 104 10327 1 . PHE 105 105 10327 1 . THR 106 106 10327 1 . VAL 107 107 10327 1 . THR 108 108 10327 1 . VAL 109 109 10327 1 . ARG 110 110 10327 1 . ARG 111 111 10327 1 . LYS 112 112 10327 1 . HIS 113 113 10327 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 10327 _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 . . . . . . . . . . . . . . . . . . . . . 10327 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 10327 _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 . . P060227-22 . . . . . . 10327 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10327 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.15 . . mM . . . . 10327 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10327 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10327 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10327 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10327 1 6 H2O . . . . . . solvent 90 . . % . . . . 10327 1 7 D2O . . . . . . solvent 10 . . % . . . . 10327 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 10327 _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 10327 1 pH 7.0 0.05 pH 10327 1 pressure 1 0.001 atm 10327 1 temperature 296 0.1 K 10327 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10327 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10327 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10327 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10327 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10327 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10327 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10327 _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.' . . 10327 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10327 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10327 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10327 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10327 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10327 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10327 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10327 5 'structure solution' 10327 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 10327 _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 10327 _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 . . . 10327 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 10327 _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 . . . . . . . . . . . . . . . . 10327 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10327 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 10327 _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 . . . . . . . . . 10327 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10327 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10327 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 10327 _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 10327 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10327 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.876 0.030 . 1 . . . . 1 GLY HA2 . 10327 1 2 . 1 1 1 1 GLY HA3 H 1 3.876 0.030 . 1 . . . . 1 GLY HA3 . 10327 1 3 . 1 1 1 1 GLY CA C 13 43.623 0.300 . 1 . . . . 1 GLY CA . 10327 1 4 . 1 1 3 3 SER HA H 1 4.506 0.030 . 1 . . . . 3 SER HA . 10327 1 5 . 1 1 3 3 SER HB2 H 1 3.906 0.030 . 2 . . . . 3 SER HB2 . 10327 1 6 . 1 1 3 3 SER C C 13 174.860 0.300 . 1 . . . . 3 SER C . 10327 1 7 . 1 1 3 3 SER CA C 13 58.585 0.300 . 1 . . . . 3 SER CA . 10327 1 8 . 1 1 3 3 SER CB C 13 63.699 0.300 . 1 . . . . 3 SER CB . 10327 1 9 . 1 1 4 4 GLY H H 1 8.407 0.030 . 1 . . . . 4 GLY H . 10327 1 10 . 1 1 4 4 GLY HA2 H 1 4.044 0.030 . 2 . . . . 4 GLY HA2 . 10327 1 11 . 1 1 4 4 GLY HA3 H 1 3.980 0.030 . 2 . . . . 4 GLY HA3 . 10327 1 12 . 1 1 4 4 GLY C C 13 174.089 0.300 . 1 . . . . 4 GLY C . 10327 1 13 . 1 1 4 4 GLY CA C 13 45.196 0.300 . 1 . . . . 4 GLY CA . 10327 1 14 . 1 1 4 4 GLY N N 15 110.667 0.300 . 1 . . . . 4 GLY N . 10327 1 15 . 1 1 5 5 SER H H 1 8.260 0.030 . 1 . . . . 5 SER H . 10327 1 16 . 1 1 5 5 SER HA H 1 4.491 0.030 . 1 . . . . 5 SER HA . 10327 1 17 . 1 1 5 5 SER HB2 H 1 3.892 0.030 . 2 . . . . 5 SER HB2 . 10327 1 18 . 1 1 5 5 SER HB3 H 1 3.818 0.030 . 2 . . . . 5 SER HB3 . 10327 1 19 . 1 1 5 5 SER C C 13 175.171 0.300 . 1 . . . . 5 SER C . 10327 1 20 . 1 1 5 5 SER CA C 13 58.248 0.300 . 1 . . . . 5 SER CA . 10327 1 21 . 1 1 5 5 SER CB C 13 64.004 0.300 . 1 . . . . 5 SER CB . 10327 1 22 . 1 1 5 5 SER N N 15 115.656 0.300 . 1 . . . . 5 SER N . 10327 1 23 . 1 1 6 6 SER H H 1 8.635 0.030 . 1 . . . . 6 SER H . 10327 1 24 . 1 1 6 6 SER HA H 1 4.506 0.030 . 1 . . . . 6 SER HA . 10327 1 25 . 1 1 6 6 SER HB2 H 1 3.944 0.030 . 2 . . . . 6 SER HB2 . 10327 1 26 . 1 1 6 6 SER HB3 H 1 3.891 0.030 . 2 . . . . 6 SER HB3 . 10327 1 27 . 1 1 6 6 SER C C 13 175.138 0.300 . 1 . . . . 6 SER C . 10327 1 28 . 1 1 6 6 SER CA C 13 58.650 0.300 . 1 . . . . 6 SER CA . 10327 1 29 . 1 1 6 6 SER CB C 13 63.813 0.300 . 1 . . . . 6 SER CB . 10327 1 30 . 1 1 6 6 SER N N 15 118.905 0.300 . 1 . . . . 6 SER N . 10327 1 31 . 1 1 7 7 GLY H H 1 8.900 0.030 . 1 . . . . 7 GLY H . 10327 1 32 . 1 1 7 7 GLY HA2 H 1 3.915 0.030 . 2 . . . . 7 GLY HA2 . 10327 1 33 . 1 1 7 7 GLY HA3 H 1 4.137 0.030 . 2 . . . . 7 GLY HA3 . 10327 1 34 . 1 1 7 7 GLY C C 13 172.914 0.300 . 1 . . . . 7 GLY C . 10327 1 35 . 1 1 7 7 GLY CA C 13 45.047 0.300 . 1 . . . . 7 GLY CA . 10327 1 36 . 1 1 7 7 GLY N N 15 111.610 0.300 . 1 . . . . 7 GLY N . 10327 1 37 . 1 1 8 8 GLU H H 1 7.975 0.030 . 1 . . . . 8 GLU H . 10327 1 38 . 1 1 8 8 GLU HA H 1 4.414 0.030 . 1 . . . . 8 GLU HA . 10327 1 39 . 1 1 8 8 GLU HB2 H 1 2.020 0.030 . 2 . . . . 8 GLU HB2 . 10327 1 40 . 1 1 8 8 GLU HB3 H 1 1.849 0.030 . 2 . . . . 8 GLU HB3 . 10327 1 41 . 1 1 8 8 GLU HG2 H 1 2.289 0.030 . 2 . . . . 8 GLU HG2 . 10327 1 42 . 1 1 8 8 GLU HG3 H 1 2.234 0.030 . 2 . . . . 8 GLU HG3 . 10327 1 43 . 1 1 8 8 GLU C C 13 175.898 0.300 . 1 . . . . 8 GLU C . 10327 1 44 . 1 1 8 8 GLU CA C 13 54.860 0.300 . 1 . . . . 8 GLU CA . 10327 1 45 . 1 1 8 8 GLU CB C 13 31.871 0.300 . 1 . . . . 8 GLU CB . 10327 1 46 . 1 1 8 8 GLU CG C 13 36.180 0.300 . 1 . . . . 8 GLU CG . 10327 1 47 . 1 1 8 8 GLU N N 15 118.833 0.300 . 1 . . . . 8 GLU N . 10327 1 48 . 1 1 9 9 VAL H H 1 8.615 0.030 . 1 . . . . 9 VAL H . 10327 1 49 . 1 1 9 9 VAL HA H 1 3.987 0.030 . 1 . . . . 9 VAL HA . 10327 1 50 . 1 1 9 9 VAL HB H 1 1.988 0.030 . 1 . . . . 9 VAL HB . 10327 1 51 . 1 1 9 9 VAL HG11 H 1 0.821 0.030 . 1 . . . . 9 VAL HG1 . 10327 1 52 . 1 1 9 9 VAL HG12 H 1 0.821 0.030 . 1 . . . . 9 VAL HG1 . 10327 1 53 . 1 1 9 9 VAL HG13 H 1 0.821 0.030 . 1 . . . . 9 VAL HG1 . 10327 1 54 . 1 1 9 9 VAL HG21 H 1 0.909 0.030 . 1 . . . . 9 VAL HG2 . 10327 1 55 . 1 1 9 9 VAL HG22 H 1 0.909 0.030 . 1 . . . . 9 VAL HG2 . 10327 1 56 . 1 1 9 9 VAL HG23 H 1 0.909 0.030 . 1 . . . . 9 VAL HG2 . 10327 1 57 . 1 1 9 9 VAL C C 13 174.336 0.300 . 1 . . . . 9 VAL C . 10327 1 58 . 1 1 9 9 VAL CA C 13 62.838 0.300 . 1 . . . . 9 VAL CA . 10327 1 59 . 1 1 9 9 VAL CB C 13 32.250 0.300 . 1 . . . . 9 VAL CB . 10327 1 60 . 1 1 9 9 VAL CG1 C 13 21.491 0.300 . 2 . . . . 9 VAL CG1 . 10327 1 61 . 1 1 9 9 VAL CG2 C 13 23.636 0.300 . 2 . . . . 9 VAL CG2 . 10327 1 62 . 1 1 9 9 VAL N N 15 123.193 0.300 . 1 . . . . 9 VAL N . 10327 1 63 . 1 1 10 10 ASP H H 1 8.898 0.030 . 1 . . . . 10 ASP H . 10327 1 64 . 1 1 10 10 ASP HA H 1 5.238 0.030 . 1 . . . . 10 ASP HA . 10327 1 65 . 1 1 10 10 ASP HB2 H 1 2.713 0.030 . 2 . . . . 10 ASP HB2 . 10327 1 66 . 1 1 10 10 ASP HB3 H 1 2.214 0.030 . 2 . . . . 10 ASP HB3 . 10327 1 67 . 1 1 10 10 ASP C C 13 176.049 0.300 . 1 . . . . 10 ASP C . 10327 1 68 . 1 1 10 10 ASP CA C 13 49.786 0.300 . 1 . . . . 10 ASP CA . 10327 1 69 . 1 1 10 10 ASP CB C 13 41.821 0.300 . 1 . . . . 10 ASP CB . 10327 1 70 . 1 1 10 10 ASP N N 15 126.119 0.300 . 1 . . . . 10 ASP N . 10327 1 71 . 1 1 11 11 PRO HA H 1 4.499 0.030 . 1 . . . . 11 PRO HA . 10327 1 72 . 1 1 11 11 PRO HB2 H 1 2.161 0.030 . 2 . . . . 11 PRO HB2 . 10327 1 73 . 1 1 11 11 PRO HB3 H 1 1.924 0.030 . 2 . . . . 11 PRO HB3 . 10327 1 74 . 1 1 11 11 PRO HD2 H 1 3.923 0.030 . 1 . . . . 11 PRO HD2 . 10327 1 75 . 1 1 11 11 PRO HD3 H 1 3.923 0.030 . 1 . . . . 11 PRO HD3 . 10327 1 76 . 1 1 11 11 PRO HG2 H 1 1.685 0.030 . 2 . . . . 11 PRO HG2 . 10327 1 77 . 1 1 11 11 PRO HG3 H 1 2.145 0.030 . 2 . . . . 11 PRO HG3 . 10327 1 78 . 1 1 11 11 PRO C C 13 177.514 0.300 . 1 . . . . 11 PRO C . 10327 1 79 . 1 1 11 11 PRO CA C 13 65.923 0.300 . 1 . . . . 11 PRO CA . 10327 1 80 . 1 1 11 11 PRO CB C 13 32.646 0.300 . 1 . . . . 11 PRO CB . 10327 1 81 . 1 1 11 11 PRO CD C 13 51.081 0.300 . 1 . . . . 11 PRO CD . 10327 1 82 . 1 1 11 11 PRO CG C 13 28.223 0.300 . 1 . . . . 11 PRO CG . 10327 1 83 . 1 1 12 12 ALA H H 1 7.753 0.030 . 1 . . . . 12 ALA H . 10327 1 84 . 1 1 12 12 ALA HA H 1 4.280 0.030 . 1 . . . . 12 ALA HA . 10327 1 85 . 1 1 12 12 ALA HB1 H 1 1.502 0.030 . 1 . . . . 12 ALA HB . 10327 1 86 . 1 1 12 12 ALA HB2 H 1 1.502 0.030 . 1 . . . . 12 ALA HB . 10327 1 87 . 1 1 12 12 ALA HB3 H 1 1.502 0.030 . 1 . . . . 12 ALA HB . 10327 1 88 . 1 1 12 12 ALA C C 13 178.664 0.300 . 1 . . . . 12 ALA C . 10327 1 89 . 1 1 12 12 ALA CA C 13 54.146 0.300 . 1 . . . . 12 ALA CA . 10327 1 90 . 1 1 12 12 ALA CB C 13 18.888 0.300 . 1 . . . . 12 ALA CB . 10327 1 91 . 1 1 12 12 ALA N N 15 115.092 0.300 . 1 . . . . 12 ALA N . 10327 1 92 . 1 1 13 13 LYS H H 1 8.068 0.030 . 1 . . . . 13 LYS H . 10327 1 93 . 1 1 13 13 LYS HA H 1 4.411 0.030 . 1 . . . . 13 LYS HA . 10327 1 94 . 1 1 13 13 LYS HB2 H 1 1.942 0.030 . 2 . . . . 13 LYS HB2 . 10327 1 95 . 1 1 13 13 LYS HB3 H 1 1.780 0.030 . 2 . . . . 13 LYS HB3 . 10327 1 96 . 1 1 13 13 LYS HD2 H 1 1.577 0.030 . 2 . . . . 13 LYS HD2 . 10327 1 97 . 1 1 13 13 LYS HD3 H 1 1.672 0.030 . 2 . . . . 13 LYS HD3 . 10327 1 98 . 1 1 13 13 LYS HE2 H 1 2.953 0.030 . 1 . . . . 13 LYS HE2 . 10327 1 99 . 1 1 13 13 LYS HE3 H 1 2.953 0.030 . 1 . . . . 13 LYS HE3 . 10327 1 100 . 1 1 13 13 LYS HG2 H 1 1.213 0.030 . 2 . . . . 13 LYS HG2 . 10327 1 101 . 1 1 13 13 LYS HG3 H 1 1.576 0.030 . 2 . . . . 13 LYS HG3 . 10327 1 102 . 1 1 13 13 LYS C C 13 176.989 0.300 . 1 . . . . 13 LYS C . 10327 1 103 . 1 1 13 13 LYS CA C 13 54.976 0.300 . 1 . . . . 13 LYS CA . 10327 1 104 . 1 1 13 13 LYS CB C 13 34.366 0.300 . 1 . . . . 13 LYS CB . 10327 1 105 . 1 1 13 13 LYS CD C 13 28.615 0.300 . 1 . . . . 13 LYS CD . 10327 1 106 . 1 1 13 13 LYS CE C 13 42.580 0.300 . 1 . . . . 13 LYS CE . 10327 1 107 . 1 1 13 13 LYS CG C 13 25.730 0.300 . 1 . . . . 13 LYS CG . 10327 1 108 . 1 1 13 13 LYS N N 15 115.129 0.300 . 1 . . . . 13 LYS N . 10327 1 109 . 1 1 14 14 CYS H H 1 7.241 0.030 . 1 . . . . 14 CYS H . 10327 1 110 . 1 1 14 14 CYS HA H 1 4.638 0.030 . 1 . . . . 14 CYS HA . 10327 1 111 . 1 1 14 14 CYS HB2 H 1 3.275 0.030 . 2 . . . . 14 CYS HB2 . 10327 1 112 . 1 1 14 14 CYS HB3 H 1 2.765 0.030 . 2 . . . . 14 CYS HB3 . 10327 1 113 . 1 1 14 14 CYS C C 13 173.098 0.300 . 1 . . . . 14 CYS C . 10327 1 114 . 1 1 14 14 CYS CA C 13 60.364 0.300 . 1 . . . . 14 CYS CA . 10327 1 115 . 1 1 14 14 CYS CB C 13 28.753 0.300 . 1 . . . . 14 CYS CB . 10327 1 116 . 1 1 14 14 CYS N N 15 118.915 0.300 . 1 . . . . 14 CYS N . 10327 1 117 . 1 1 15 15 VAL H H 1 8.539 0.030 . 1 . . . . 15 VAL H . 10327 1 118 . 1 1 15 15 VAL HA H 1 4.718 0.030 . 1 . . . . 15 VAL HA . 10327 1 119 . 1 1 15 15 VAL HB H 1 2.035 0.030 . 1 . . . . 15 VAL HB . 10327 1 120 . 1 1 15 15 VAL HG11 H 1 0.894 0.030 . 1 . . . . 15 VAL HG1 . 10327 1 121 . 1 1 15 15 VAL HG12 H 1 0.894 0.030 . 1 . . . . 15 VAL HG1 . 10327 1 122 . 1 1 15 15 VAL HG13 H 1 0.894 0.030 . 1 . . . . 15 VAL HG1 . 10327 1 123 . 1 1 15 15 VAL HG21 H 1 0.936 0.030 . 1 . . . . 15 VAL HG2 . 10327 1 124 . 1 1 15 15 VAL HG22 H 1 0.936 0.030 . 1 . . . . 15 VAL HG2 . 10327 1 125 . 1 1 15 15 VAL HG23 H 1 0.936 0.030 . 1 . . . . 15 VAL HG2 . 10327 1 126 . 1 1 15 15 VAL C C 13 174.262 0.300 . 1 . . . . 15 VAL C . 10327 1 127 . 1 1 15 15 VAL CA C 13 60.488 0.300 . 1 . . . . 15 VAL CA . 10327 1 128 . 1 1 15 15 VAL CB C 13 36.533 0.300 . 1 . . . . 15 VAL CB . 10327 1 129 . 1 1 15 15 VAL CG1 C 13 21.269 0.300 . 2 . . . . 15 VAL CG1 . 10327 1 130 . 1 1 15 15 VAL CG2 C 13 20.562 0.300 . 2 . . . . 15 VAL CG2 . 10327 1 131 . 1 1 15 15 VAL N N 15 115.322 0.300 . 1 . . . . 15 VAL N . 10327 1 132 . 1 1 16 16 LEU H H 1 8.618 0.030 . 1 . . . . 16 LEU H . 10327 1 133 . 1 1 16 16 LEU HA H 1 5.208 0.030 . 1 . . . . 16 LEU HA . 10327 1 134 . 1 1 16 16 LEU HB2 H 1 1.681 0.030 . 2 . . . . 16 LEU HB2 . 10327 1 135 . 1 1 16 16 LEU HB3 H 1 0.914 0.030 . 2 . . . . 16 LEU HB3 . 10327 1 136 . 1 1 16 16 LEU HD11 H 1 0.593 0.030 . 1 . . . . 16 LEU HD1 . 10327 1 137 . 1 1 16 16 LEU HD12 H 1 0.593 0.030 . 1 . . . . 16 LEU HD1 . 10327 1 138 . 1 1 16 16 LEU HD13 H 1 0.593 0.030 . 1 . . . . 16 LEU HD1 . 10327 1 139 . 1 1 16 16 LEU HD21 H 1 0.962 0.030 . 1 . . . . 16 LEU HD2 . 10327 1 140 . 1 1 16 16 LEU HD22 H 1 0.962 0.030 . 1 . . . . 16 LEU HD2 . 10327 1 141 . 1 1 16 16 LEU HD23 H 1 0.962 0.030 . 1 . . . . 16 LEU HD2 . 10327 1 142 . 1 1 16 16 LEU HG H 1 1.718 0.030 . 1 . . . . 16 LEU HG . 10327 1 143 . 1 1 16 16 LEU C C 13 176.780 0.300 . 1 . . . . 16 LEU C . 10327 1 144 . 1 1 16 16 LEU CA C 13 53.240 0.300 . 1 . . . . 16 LEU CA . 10327 1 145 . 1 1 16 16 LEU CB C 13 43.203 0.300 . 1 . . . . 16 LEU CB . 10327 1 146 . 1 1 16 16 LEU CD1 C 13 26.140 0.300 . 2 . . . . 16 LEU CD1 . 10327 1 147 . 1 1 16 16 LEU CD2 C 13 24.926 0.300 . 2 . . . . 16 LEU CD2 . 10327 1 148 . 1 1 16 16 LEU CG C 13 26.181 0.300 . 1 . . . . 16 LEU CG . 10327 1 149 . 1 1 16 16 LEU N N 15 124.272 0.300 . 1 . . . . 16 LEU N . 10327 1 150 . 1 1 17 17 GLN H H 1 9.592 0.030 . 1 . . . . 17 GLN H . 10327 1 151 . 1 1 17 17 GLN HA H 1 4.768 0.030 . 1 . . . . 17 GLN HA . 10327 1 152 . 1 1 17 17 GLN HB2 H 1 1.954 0.030 . 2 . . . . 17 GLN HB2 . 10327 1 153 . 1 1 17 17 GLN HB3 H 1 2.028 0.030 . 2 . . . . 17 GLN HB3 . 10327 1 154 . 1 1 17 17 GLN HE21 H 1 6.753 0.030 . 2 . . . . 17 GLN HE21 . 10327 1 155 . 1 1 17 17 GLN HE22 H 1 7.372 0.030 . 2 . . . . 17 GLN HE22 . 10327 1 156 . 1 1 17 17 GLN HG2 H 1 2.218 0.030 . 1 . . . . 17 GLN HG2 . 10327 1 157 . 1 1 17 17 GLN HG3 H 1 2.218 0.030 . 1 . . . . 17 GLN HG3 . 10327 1 158 . 1 1 17 17 GLN C C 13 174.485 0.300 . 1 . . . . 17 GLN C . 10327 1 159 . 1 1 17 17 GLN CA C 13 54.569 0.300 . 1 . . . . 17 GLN CA . 10327 1 160 . 1 1 17 17 GLN CB C 13 32.382 0.300 . 1 . . . . 17 GLN CB . 10327 1 161 . 1 1 17 17 GLN CG C 13 34.055 0.300 . 1 . . . . 17 GLN CG . 10327 1 162 . 1 1 17 17 GLN N N 15 122.299 0.300 . 1 . . . . 17 GLN N . 10327 1 163 . 1 1 17 17 GLN NE2 N 15 110.751 0.300 . 1 . . . . 17 GLN NE2 . 10327 1 164 . 1 1 18 18 GLY H H 1 8.376 0.030 . 1 . . . . 18 GLY H . 10327 1 165 . 1 1 18 18 GLY HA2 H 1 4.170 0.030 . 2 . . . . 18 GLY HA2 . 10327 1 166 . 1 1 18 18 GLY HA3 H 1 4.234 0.030 . 2 . . . . 18 GLY HA3 . 10327 1 167 . 1 1 18 18 GLY C C 13 172.494 0.300 . 1 . . . . 18 GLY C . 10327 1 168 . 1 1 18 18 GLY CA C 13 45.230 0.300 . 1 . . . . 18 GLY CA . 10327 1 169 . 1 1 18 18 GLY N N 15 111.544 0.300 . 1 . . . . 18 GLY N . 10327 1 170 . 1 1 19 19 GLU H H 1 8.700 0.030 . 1 . . . . 19 GLU H . 10327 1 171 . 1 1 19 19 GLU HA H 1 4.279 0.030 . 1 . . . . 19 GLU HA . 10327 1 172 . 1 1 19 19 GLU HB2 H 1 1.985 0.030 . 2 . . . . 19 GLU HB2 . 10327 1 173 . 1 1 19 19 GLU HB3 H 1 2.027 0.030 . 2 . . . . 19 GLU HB3 . 10327 1 174 . 1 1 19 19 GLU HG2 H 1 2.291 0.030 . 1 . . . . 19 GLU HG2 . 10327 1 175 . 1 1 19 19 GLU HG3 H 1 2.291 0.030 . 1 . . . . 19 GLU HG3 . 10327 1 176 . 1 1 19 19 GLU C C 13 176.644 0.300 . 1 . . . . 19 GLU C . 10327 1 177 . 1 1 19 19 GLU CA C 13 57.361 0.300 . 1 . . . . 19 GLU CA . 10327 1 178 . 1 1 19 19 GLU CB C 13 30.286 0.300 . 1 . . . . 19 GLU CB . 10327 1 179 . 1 1 19 19 GLU CG C 13 36.363 0.300 . 1 . . . . 19 GLU CG . 10327 1 180 . 1 1 19 19 GLU N N 15 122.515 0.300 . 1 . . . . 19 GLU N . 10327 1 181 . 1 1 20 20 ASP H H 1 8.792 0.030 . 1 . . . . 20 ASP H . 10327 1 182 . 1 1 20 20 ASP HA H 1 4.604 0.030 . 1 . . . . 20 ASP HA . 10327 1 183 . 1 1 20 20 ASP HB2 H 1 3.066 0.030 . 2 . . . . 20 ASP HB2 . 10327 1 184 . 1 1 20 20 ASP HB3 H 1 2.521 0.030 . 2 . . . . 20 ASP HB3 . 10327 1 185 . 1 1 20 20 ASP C C 13 175.641 0.300 . 1 . . . . 20 ASP C . 10327 1 186 . 1 1 20 20 ASP CA C 13 53.904 0.300 . 1 . . . . 20 ASP CA . 10327 1 187 . 1 1 20 20 ASP CB C 13 40.316 0.300 . 1 . . . . 20 ASP CB . 10327 1 188 . 1 1 20 20 ASP N N 15 121.645 0.300 . 1 . . . . 20 ASP N . 10327 1 189 . 1 1 21 21 LEU H H 1 7.880 0.030 . 1 . . . . 21 LEU H . 10327 1 190 . 1 1 21 21 LEU HA H 1 3.840 0.030 . 1 . . . . 21 LEU HA . 10327 1 191 . 1 1 21 21 LEU HB2 H 1 0.827 0.030 . 2 . . . . 21 LEU HB2 . 10327 1 192 . 1 1 21 21 LEU HB3 H 1 0.755 0.030 . 2 . . . . 21 LEU HB3 . 10327 1 193 . 1 1 21 21 LEU HD11 H 1 0.123 0.030 . 1 . . . . 21 LEU HD1 . 10327 1 194 . 1 1 21 21 LEU HD12 H 1 0.123 0.030 . 1 . . . . 21 LEU HD1 . 10327 1 195 . 1 1 21 21 LEU HD13 H 1 0.123 0.030 . 1 . . . . 21 LEU HD1 . 10327 1 196 . 1 1 21 21 LEU HD21 H 1 0.070 0.030 . 1 . . . . 21 LEU HD2 . 10327 1 197 . 1 1 21 21 LEU HD22 H 1 0.070 0.030 . 1 . . . . 21 LEU HD2 . 10327 1 198 . 1 1 21 21 LEU HD23 H 1 0.070 0.030 . 1 . . . . 21 LEU HD2 . 10327 1 199 . 1 1 21 21 LEU HG H 1 0.969 0.030 . 1 . . . . 21 LEU HG . 10327 1 200 . 1 1 21 21 LEU C C 13 176.691 0.300 . 1 . . . . 21 LEU C . 10327 1 201 . 1 1 21 21 LEU CA C 13 57.520 0.300 . 1 . . . . 21 LEU CA . 10327 1 202 . 1 1 21 21 LEU CB C 13 42.242 0.300 . 1 . . . . 21 LEU CB . 10327 1 203 . 1 1 21 21 LEU CD1 C 13 24.286 0.300 . 2 . . . . 21 LEU CD1 . 10327 1 204 . 1 1 21 21 LEU CD2 C 13 24.211 0.300 . 2 . . . . 21 LEU CD2 . 10327 1 205 . 1 1 21 21 LEU CG C 13 26.857 0.300 . 1 . . . . 21 LEU CG . 10327 1 206 . 1 1 21 21 LEU N N 15 119.542 0.300 . 1 . . . . 21 LEU N . 10327 1 207 . 1 1 22 22 HIS H H 1 7.951 0.030 . 1 . . . . 22 HIS H . 10327 1 208 . 1 1 22 22 HIS HA H 1 4.998 0.030 . 1 . . . . 22 HIS HA . 10327 1 209 . 1 1 22 22 HIS HB2 H 1 3.590 0.030 . 2 . . . . 22 HIS HB2 . 10327 1 210 . 1 1 22 22 HIS HB3 H 1 3.140 0.030 . 2 . . . . 22 HIS HB3 . 10327 1 211 . 1 1 22 22 HIS HD2 H 1 7.073 0.030 . 1 . . . . 22 HIS HD2 . 10327 1 212 . 1 1 22 22 HIS HE1 H 1 7.905 0.030 . 1 . . . . 22 HIS HE1 . 10327 1 213 . 1 1 22 22 HIS C C 13 175.434 0.300 . 1 . . . . 22 HIS C . 10327 1 214 . 1 1 22 22 HIS CA C 13 56.022 0.300 . 1 . . . . 22 HIS CA . 10327 1 215 . 1 1 22 22 HIS CB C 13 29.733 0.300 . 1 . . . . 22 HIS CB . 10327 1 216 . 1 1 22 22 HIS CD2 C 13 121.972 0.300 . 1 . . . . 22 HIS CD2 . 10327 1 217 . 1 1 22 22 HIS CE1 C 13 138.033 0.300 . 1 . . . . 22 HIS CE1 . 10327 1 218 . 1 1 22 22 HIS N N 15 108.677 0.300 . 1 . . . . 22 HIS N . 10327 1 219 . 1 1 23 23 ARG H H 1 7.808 0.030 . 1 . . . . 23 ARG H . 10327 1 220 . 1 1 23 23 ARG HA H 1 5.238 0.030 . 1 . . . . 23 ARG HA . 10327 1 221 . 1 1 23 23 ARG HB2 H 1 1.749 0.030 . 2 . . . . 23 ARG HB2 . 10327 1 222 . 1 1 23 23 ARG HB3 H 1 1.811 0.030 . 2 . . . . 23 ARG HB3 . 10327 1 223 . 1 1 23 23 ARG HD2 H 1 3.259 0.030 . 2 . . . . 23 ARG HD2 . 10327 1 224 . 1 1 23 23 ARG HD3 H 1 3.143 0.030 . 2 . . . . 23 ARG HD3 . 10327 1 225 . 1 1 23 23 ARG HG2 H 1 1.555 0.030 . 1 . . . . 23 ARG HG2 . 10327 1 226 . 1 1 23 23 ARG HG3 H 1 1.555 0.030 . 1 . . . . 23 ARG HG3 . 10327 1 227 . 1 1 23 23 ARG C C 13 173.276 0.300 . 1 . . . . 23 ARG C . 10327 1 228 . 1 1 23 23 ARG CA C 13 55.444 0.300 . 1 . . . . 23 ARG CA . 10327 1 229 . 1 1 23 23 ARG CB C 13 34.417 0.300 . 1 . . . . 23 ARG CB . 10327 1 230 . 1 1 23 23 ARG CD C 13 43.716 0.300 . 1 . . . . 23 ARG CD . 10327 1 231 . 1 1 23 23 ARG CG C 13 27.273 0.300 . 1 . . . . 23 ARG CG . 10327 1 232 . 1 1 23 23 ARG N N 15 122.203 0.300 . 1 . . . . 23 ARG N . 10327 1 233 . 1 1 24 24 ALA H H 1 8.193 0.030 . 1 . . . . 24 ALA H . 10327 1 234 . 1 1 24 24 ALA HA H 1 4.656 0.030 . 1 . . . . 24 ALA HA . 10327 1 235 . 1 1 24 24 ALA HB1 H 1 1.400 0.030 . 1 . . . . 24 ALA HB . 10327 1 236 . 1 1 24 24 ALA HB2 H 1 1.400 0.030 . 1 . . . . 24 ALA HB . 10327 1 237 . 1 1 24 24 ALA HB3 H 1 1.400 0.030 . 1 . . . . 24 ALA HB . 10327 1 238 . 1 1 24 24 ALA C C 13 175.767 0.300 . 1 . . . . 24 ALA C . 10327 1 239 . 1 1 24 24 ALA CA C 13 51.083 0.300 . 1 . . . . 24 ALA CA . 10327 1 240 . 1 1 24 24 ALA CB C 13 22.312 0.300 . 1 . . . . 24 ALA CB . 10327 1 241 . 1 1 24 24 ALA N N 15 122.295 0.300 . 1 . . . . 24 ALA N . 10327 1 242 . 1 1 25 25 ARG H H 1 9.368 0.030 . 1 . . . . 25 ARG H . 10327 1 243 . 1 1 25 25 ARG HA H 1 4.753 0.030 . 1 . . . . 25 ARG HA . 10327 1 244 . 1 1 25 25 ARG HB2 H 1 1.523 0.030 . 2 . . . . 25 ARG HB2 . 10327 1 245 . 1 1 25 25 ARG HB3 H 1 1.633 0.030 . 2 . . . . 25 ARG HB3 . 10327 1 246 . 1 1 25 25 ARG HD2 H 1 3.099 0.030 . 1 . . . . 25 ARG HD2 . 10327 1 247 . 1 1 25 25 ARG HD3 H 1 3.099 0.030 . 1 . . . . 25 ARG HD3 . 10327 1 248 . 1 1 25 25 ARG HG2 H 1 1.542 0.030 . 1 . . . . 25 ARG HG2 . 10327 1 249 . 1 1 25 25 ARG HG3 H 1 1.542 0.030 . 1 . . . . 25 ARG HG3 . 10327 1 250 . 1 1 25 25 ARG C C 13 174.409 0.300 . 1 . . . . 25 ARG C . 10327 1 251 . 1 1 25 25 ARG CA C 13 55.003 0.300 . 1 . . . . 25 ARG CA . 10327 1 252 . 1 1 25 25 ARG CB C 13 33.243 0.300 . 1 . . . . 25 ARG CB . 10327 1 253 . 1 1 25 25 ARG CD C 13 43.535 0.300 . 1 . . . . 25 ARG CD . 10327 1 254 . 1 1 25 25 ARG CG C 13 27.296 0.300 . 1 . . . . 25 ARG CG . 10327 1 255 . 1 1 25 25 ARG N N 15 122.501 0.300 . 1 . . . . 25 ARG N . 10327 1 256 . 1 1 26 26 GLU H H 1 8.115 0.030 . 1 . . . . 26 GLU H . 10327 1 257 . 1 1 26 26 GLU HA H 1 3.409 0.030 . 1 . . . . 26 GLU HA . 10327 1 258 . 1 1 26 26 GLU HB2 H 1 1.906 0.030 . 2 . . . . 26 GLU HB2 . 10327 1 259 . 1 1 26 26 GLU HB3 H 1 1.652 0.030 . 2 . . . . 26 GLU HB3 . 10327 1 260 . 1 1 26 26 GLU HG2 H 1 2.169 0.030 . 1 . . . . 26 GLU HG2 . 10327 1 261 . 1 1 26 26 GLU HG3 H 1 2.169 0.030 . 1 . . . . 26 GLU HG3 . 10327 1 262 . 1 1 26 26 GLU C C 13 174.445 0.300 . 1 . . . . 26 GLU C . 10327 1 263 . 1 1 26 26 GLU CA C 13 57.184 0.300 . 1 . . . . 26 GLU CA . 10327 1 264 . 1 1 26 26 GLU CB C 13 29.979 0.300 . 1 . . . . 26 GLU CB . 10327 1 265 . 1 1 26 26 GLU CG C 13 34.586 0.300 . 1 . . . . 26 GLU CG . 10327 1 266 . 1 1 26 26 GLU N N 15 122.818 0.300 . 1 . . . . 26 GLU N . 10327 1 267 . 1 1 27 27 LYS H H 1 8.791 0.030 . 1 . . . . 27 LYS H . 10327 1 268 . 1 1 27 27 LYS HA H 1 3.430 0.030 . 1 . . . . 27 LYS HA . 10327 1 269 . 1 1 27 27 LYS HB2 H 1 2.112 0.030 . 2 . . . . 27 LYS HB2 . 10327 1 270 . 1 1 27 27 LYS HB3 H 1 1.908 0.030 . 2 . . . . 27 LYS HB3 . 10327 1 271 . 1 1 27 27 LYS HD2 H 1 1.515 0.030 . 2 . . . . 27 LYS HD2 . 10327 1 272 . 1 1 27 27 LYS HD3 H 1 1.807 0.030 . 2 . . . . 27 LYS HD3 . 10327 1 273 . 1 1 27 27 LYS HE2 H 1 3.014 0.030 . 2 . . . . 27 LYS HE2 . 10327 1 274 . 1 1 27 27 LYS HE3 H 1 3.125 0.030 . 2 . . . . 27 LYS HE3 . 10327 1 275 . 1 1 27 27 LYS HG2 H 1 1.420 0.030 . 2 . . . . 27 LYS HG2 . 10327 1 276 . 1 1 27 27 LYS HG3 H 1 1.582 0.030 . 2 . . . . 27 LYS HG3 . 10327 1 277 . 1 1 27 27 LYS C C 13 174.176 0.300 . 1 . . . . 27 LYS C . 10327 1 278 . 1 1 27 27 LYS CA C 13 58.485 0.300 . 1 . . . . 27 LYS CA . 10327 1 279 . 1 1 27 27 LYS CB C 13 29.727 0.300 . 1 . . . . 27 LYS CB . 10327 1 280 . 1 1 27 27 LYS CD C 13 29.832 0.300 . 1 . . . . 27 LYS CD . 10327 1 281 . 1 1 27 27 LYS CE C 13 42.558 0.300 . 1 . . . . 27 LYS CE . 10327 1 282 . 1 1 27 27 LYS CG C 13 26.744 0.300 . 1 . . . . 27 LYS CG . 10327 1 283 . 1 1 27 27 LYS N N 15 115.216 0.300 . 1 . . . . 27 LYS N . 10327 1 284 . 1 1 28 28 GLN H H 1 7.815 0.030 . 1 . . . . 28 GLN H . 10327 1 285 . 1 1 28 28 GLN HA H 1 4.637 0.030 . 1 . . . . 28 GLN HA . 10327 1 286 . 1 1 28 28 GLN HB2 H 1 2.068 0.030 . 2 . . . . 28 GLN HB2 . 10327 1 287 . 1 1 28 28 GLN HB3 H 1 1.766 0.030 . 2 . . . . 28 GLN HB3 . 10327 1 288 . 1 1 28 28 GLN HE21 H 1 6.881 0.030 . 2 . . . . 28 GLN HE21 . 10327 1 289 . 1 1 28 28 GLN HE22 H 1 7.571 0.030 . 2 . . . . 28 GLN HE22 . 10327 1 290 . 1 1 28 28 GLN HG2 H 1 2.223 0.030 . 1 . . . . 28 GLN HG2 . 10327 1 291 . 1 1 28 28 GLN HG3 H 1 2.223 0.030 . 1 . . . . 28 GLN HG3 . 10327 1 292 . 1 1 28 28 GLN C C 13 175.188 0.300 . 1 . . . . 28 GLN C . 10327 1 293 . 1 1 28 28 GLN CA C 13 53.970 0.300 . 1 . . . . 28 GLN CA . 10327 1 294 . 1 1 28 28 GLN CB C 13 31.025 0.300 . 1 . . . . 28 GLN CB . 10327 1 295 . 1 1 28 28 GLN CG C 13 33.726 0.300 . 1 . . . . 28 GLN CG . 10327 1 296 . 1 1 28 28 GLN N N 15 118.736 0.300 . 1 . . . . 28 GLN N . 10327 1 297 . 1 1 28 28 GLN NE2 N 15 112.346 0.300 . 1 . . . . 28 GLN NE2 . 10327 1 298 . 1 1 29 29 THR H H 1 8.673 0.030 . 1 . . . . 29 THR H . 10327 1 299 . 1 1 29 29 THR HA H 1 4.191 0.030 . 1 . . . . 29 THR HA . 10327 1 300 . 1 1 29 29 THR HB H 1 3.768 0.030 . 1 . . . . 29 THR HB . 10327 1 301 . 1 1 29 29 THR HG21 H 1 0.998 0.030 . 1 . . . . 29 THR HG2 . 10327 1 302 . 1 1 29 29 THR HG22 H 1 0.998 0.030 . 1 . . . . 29 THR HG2 . 10327 1 303 . 1 1 29 29 THR HG23 H 1 0.998 0.030 . 1 . . . . 29 THR HG2 . 10327 1 304 . 1 1 29 29 THR C C 13 173.300 0.300 . 1 . . . . 29 THR C . 10327 1 305 . 1 1 29 29 THR CA C 13 64.249 0.300 . 1 . . . . 29 THR CA . 10327 1 306 . 1 1 29 29 THR CB C 13 69.348 0.300 . 1 . . . . 29 THR CB . 10327 1 307 . 1 1 29 29 THR CG2 C 13 22.475 0.300 . 1 . . . . 29 THR CG2 . 10327 1 308 . 1 1 29 29 THR N N 15 122.946 0.300 . 1 . . . . 29 THR N . 10327 1 309 . 1 1 30 30 ALA H H 1 9.006 0.030 . 1 . . . . 30 ALA H . 10327 1 310 . 1 1 30 30 ALA HA H 1 4.608 0.030 . 1 . . . . 30 ALA HA . 10327 1 311 . 1 1 30 30 ALA HB1 H 1 0.876 0.030 . 1 . . . . 30 ALA HB . 10327 1 312 . 1 1 30 30 ALA HB2 H 1 0.876 0.030 . 1 . . . . 30 ALA HB . 10327 1 313 . 1 1 30 30 ALA HB3 H 1 0.876 0.030 . 1 . . . . 30 ALA HB . 10327 1 314 . 1 1 30 30 ALA C C 13 175.392 0.300 . 1 . . . . 30 ALA C . 10327 1 315 . 1 1 30 30 ALA CA C 13 50.682 0.300 . 1 . . . . 30 ALA CA . 10327 1 316 . 1 1 30 30 ALA CB C 13 20.593 0.300 . 1 . . . . 30 ALA CB . 10327 1 317 . 1 1 30 30 ALA N N 15 135.312 0.300 . 1 . . . . 30 ALA N . 10327 1 318 . 1 1 31 31 SER H H 1 8.164 0.030 . 1 . . . . 31 SER H . 10327 1 319 . 1 1 31 31 SER HA H 1 5.686 0.030 . 1 . . . . 31 SER HA . 10327 1 320 . 1 1 31 31 SER HB2 H 1 3.461 0.030 . 1 . . . . 31 SER HB2 . 10327 1 321 . 1 1 31 31 SER HB3 H 1 3.461 0.030 . 1 . . . . 31 SER HB3 . 10327 1 322 . 1 1 31 31 SER C C 13 173.773 0.300 . 1 . . . . 31 SER C . 10327 1 323 . 1 1 31 31 SER CA C 13 56.763 0.300 . 1 . . . . 31 SER CA . 10327 1 324 . 1 1 31 31 SER CB C 13 67.193 0.300 . 1 . . . . 31 SER CB . 10327 1 325 . 1 1 31 31 SER N N 15 111.062 0.300 . 1 . . . . 31 SER N . 10327 1 326 . 1 1 32 32 PHE H H 1 8.802 0.030 . 1 . . . . 32 PHE H . 10327 1 327 . 1 1 32 32 PHE HA H 1 5.029 0.030 . 1 . . . . 32 PHE HA . 10327 1 328 . 1 1 32 32 PHE HB2 H 1 3.388 0.030 . 2 . . . . 32 PHE HB2 . 10327 1 329 . 1 1 32 32 PHE HB3 H 1 3.206 0.030 . 2 . . . . 32 PHE HB3 . 10327 1 330 . 1 1 32 32 PHE HD1 H 1 7.075 0.030 . 1 . . . . 32 PHE HD1 . 10327 1 331 . 1 1 32 32 PHE HD2 H 1 7.075 0.030 . 1 . . . . 32 PHE HD2 . 10327 1 332 . 1 1 32 32 PHE HE1 H 1 7.202 0.030 . 1 . . . . 32 PHE HE1 . 10327 1 333 . 1 1 32 32 PHE HE2 H 1 7.202 0.030 . 1 . . . . 32 PHE HE2 . 10327 1 334 . 1 1 32 32 PHE HZ H 1 6.931 0.030 . 1 . . . . 32 PHE HZ . 10327 1 335 . 1 1 32 32 PHE C C 13 172.313 0.300 . 1 . . . . 32 PHE C . 10327 1 336 . 1 1 32 32 PHE CA C 13 56.893 0.300 . 1 . . . . 32 PHE CA . 10327 1 337 . 1 1 32 32 PHE CB C 13 40.149 0.300 . 1 . . . . 32 PHE CB . 10327 1 338 . 1 1 32 32 PHE CD1 C 13 132.726 0.300 . 1 . . . . 32 PHE CD1 . 10327 1 339 . 1 1 32 32 PHE CD2 C 13 132.726 0.300 . 1 . . . . 32 PHE CD2 . 10327 1 340 . 1 1 32 32 PHE CE1 C 13 130.705 0.300 . 1 . . . . 32 PHE CE1 . 10327 1 341 . 1 1 32 32 PHE CE2 C 13 130.705 0.300 . 1 . . . . 32 PHE CE2 . 10327 1 342 . 1 1 32 32 PHE CZ C 13 128.418 0.300 . 1 . . . . 32 PHE CZ . 10327 1 343 . 1 1 32 32 PHE N N 15 117.583 0.300 . 1 . . . . 32 PHE N . 10327 1 344 . 1 1 33 33 THR H H 1 9.023 0.030 . 1 . . . . 33 THR H . 10327 1 345 . 1 1 33 33 THR HA H 1 5.584 0.030 . 1 . . . . 33 THR HA . 10327 1 346 . 1 1 33 33 THR HB H 1 4.153 0.030 . 1 . . . . 33 THR HB . 10327 1 347 . 1 1 33 33 THR HG21 H 1 1.313 0.030 . 1 . . . . 33 THR HG2 . 10327 1 348 . 1 1 33 33 THR HG22 H 1 1.313 0.030 . 1 . . . . 33 THR HG2 . 10327 1 349 . 1 1 33 33 THR HG23 H 1 1.313 0.030 . 1 . . . . 33 THR HG2 . 10327 1 350 . 1 1 33 33 THR C C 13 172.666 0.300 . 1 . . . . 33 THR C . 10327 1 351 . 1 1 33 33 THR CA C 13 61.849 0.300 . 1 . . . . 33 THR CA . 10327 1 352 . 1 1 33 33 THR CB C 13 72.037 0.300 . 1 . . . . 33 THR CB . 10327 1 353 . 1 1 33 33 THR CG2 C 13 21.857 0.300 . 1 . . . . 33 THR CG2 . 10327 1 354 . 1 1 33 33 THR N N 15 115.382 0.300 . 1 . . . . 33 THR N . 10327 1 355 . 1 1 34 34 LEU H H 1 9.415 0.030 . 1 . . . . 34 LEU H . 10327 1 356 . 1 1 34 34 LEU HA H 1 5.316 0.030 . 1 . . . . 34 LEU HA . 10327 1 357 . 1 1 34 34 LEU HB2 H 1 2.014 0.030 . 2 . . . . 34 LEU HB2 . 10327 1 358 . 1 1 34 34 LEU HB3 H 1 1.315 0.030 . 2 . . . . 34 LEU HB3 . 10327 1 359 . 1 1 34 34 LEU HD11 H 1 0.874 0.030 . 1 . . . . 34 LEU HD1 . 10327 1 360 . 1 1 34 34 LEU HD12 H 1 0.874 0.030 . 1 . . . . 34 LEU HD1 . 10327 1 361 . 1 1 34 34 LEU HD13 H 1 0.874 0.030 . 1 . . . . 34 LEU HD1 . 10327 1 362 . 1 1 34 34 LEU HD21 H 1 0.516 0.030 . 1 . . . . 34 LEU HD2 . 10327 1 363 . 1 1 34 34 LEU HD22 H 1 0.516 0.030 . 1 . . . . 34 LEU HD2 . 10327 1 364 . 1 1 34 34 LEU HD23 H 1 0.516 0.030 . 1 . . . . 34 LEU HD2 . 10327 1 365 . 1 1 34 34 LEU HG H 1 1.663 0.030 . 1 . . . . 34 LEU HG . 10327 1 366 . 1 1 34 34 LEU C C 13 174.119 0.300 . 1 . . . . 34 LEU C . 10327 1 367 . 1 1 34 34 LEU CA C 13 53.416 0.300 . 1 . . . . 34 LEU CA . 10327 1 368 . 1 1 34 34 LEU CB C 13 46.132 0.300 . 1 . . . . 34 LEU CB . 10327 1 369 . 1 1 34 34 LEU CD1 C 13 24.353 0.300 . 2 . . . . 34 LEU CD1 . 10327 1 370 . 1 1 34 34 LEU CD2 C 13 28.145 0.300 . 2 . . . . 34 LEU CD2 . 10327 1 371 . 1 1 34 34 LEU CG C 13 27.577 0.300 . 1 . . . . 34 LEU CG . 10327 1 372 . 1 1 34 34 LEU N N 15 127.691 0.300 . 1 . . . . 34 LEU N . 10327 1 373 . 1 1 35 35 LEU H H 1 9.534 0.030 . 1 . . . . 35 LEU H . 10327 1 374 . 1 1 35 35 LEU HA H 1 4.866 0.030 . 1 . . . . 35 LEU HA . 10327 1 375 . 1 1 35 35 LEU HB2 H 1 1.612 0.030 . 1 . . . . 35 LEU HB2 . 10327 1 376 . 1 1 35 35 LEU HB3 H 1 1.612 0.030 . 1 . . . . 35 LEU HB3 . 10327 1 377 . 1 1 35 35 LEU HD11 H 1 0.845 0.030 . 1 . . . . 35 LEU HD1 . 10327 1 378 . 1 1 35 35 LEU HD12 H 1 0.845 0.030 . 1 . . . . 35 LEU HD1 . 10327 1 379 . 1 1 35 35 LEU HD13 H 1 0.845 0.030 . 1 . . . . 35 LEU HD1 . 10327 1 380 . 1 1 35 35 LEU HD21 H 1 0.901 0.030 . 1 . . . . 35 LEU HD2 . 10327 1 381 . 1 1 35 35 LEU HD22 H 1 0.901 0.030 . 1 . . . . 35 LEU HD2 . 10327 1 382 . 1 1 35 35 LEU HD23 H 1 0.901 0.030 . 1 . . . . 35 LEU HD2 . 10327 1 383 . 1 1 35 35 LEU HG H 1 1.484 0.030 . 1 . . . . 35 LEU HG . 10327 1 384 . 1 1 35 35 LEU C C 13 175.869 0.300 . 1 . . . . 35 LEU C . 10327 1 385 . 1 1 35 35 LEU CA C 13 54.458 0.300 . 1 . . . . 35 LEU CA . 10327 1 386 . 1 1 35 35 LEU CB C 13 42.917 0.300 . 1 . . . . 35 LEU CB . 10327 1 387 . 1 1 35 35 LEU CD1 C 13 25.790 0.300 . 2 . . . . 35 LEU CD1 . 10327 1 388 . 1 1 35 35 LEU CD2 C 13 25.128 0.300 . 2 . . . . 35 LEU CD2 . 10327 1 389 . 1 1 35 35 LEU CG C 13 27.925 0.300 . 1 . . . . 35 LEU CG . 10327 1 390 . 1 1 35 35 LEU N N 15 129.202 0.300 . 1 . . . . 35 LEU N . 10327 1 391 . 1 1 36 36 CYS H H 1 8.943 0.030 . 1 . . . . 36 CYS H . 10327 1 392 . 1 1 36 36 CYS HA H 1 5.171 0.030 . 1 . . . . 36 CYS HA . 10327 1 393 . 1 1 36 36 CYS HB2 H 1 3.389 0.030 . 2 . . . . 36 CYS HB2 . 10327 1 394 . 1 1 36 36 CYS HB3 H 1 2.756 0.030 . 2 . . . . 36 CYS HB3 . 10327 1 395 . 1 1 36 36 CYS C C 13 174.389 0.300 . 1 . . . . 36 CYS C . 10327 1 396 . 1 1 36 36 CYS CA C 13 59.637 0.300 . 1 . . . . 36 CYS CA . 10327 1 397 . 1 1 36 36 CYS CB C 13 28.485 0.300 . 1 . . . . 36 CYS CB . 10327 1 398 . 1 1 36 36 CYS N N 15 122.359 0.300 . 1 . . . . 36 CYS N . 10327 1 399 . 1 1 37 37 LYS H H 1 7.544 0.030 . 1 . . . . 37 LYS H . 10327 1 400 . 1 1 37 37 LYS HA H 1 5.102 0.030 . 1 . . . . 37 LYS HA . 10327 1 401 . 1 1 37 37 LYS HB2 H 1 1.435 0.030 . 1 . . . . 37 LYS HB2 . 10327 1 402 . 1 1 37 37 LYS HB3 H 1 1.435 0.030 . 1 . . . . 37 LYS HB3 . 10327 1 403 . 1 1 37 37 LYS HD2 H 1 1.726 0.030 . 2 . . . . 37 LYS HD2 . 10327 1 404 . 1 1 37 37 LYS HD3 H 1 1.489 0.030 . 2 . . . . 37 LYS HD3 . 10327 1 405 . 1 1 37 37 LYS HE2 H 1 2.717 0.030 . 1 . . . . 37 LYS HE2 . 10327 1 406 . 1 1 37 37 LYS HE3 H 1 2.717 0.030 . 1 . . . . 37 LYS HE3 . 10327 1 407 . 1 1 37 37 LYS HG2 H 1 0.952 0.030 . 2 . . . . 37 LYS HG2 . 10327 1 408 . 1 1 37 37 LYS HG3 H 1 1.213 0.030 . 2 . . . . 37 LYS HG3 . 10327 1 409 . 1 1 37 37 LYS C C 13 173.820 0.300 . 1 . . . . 37 LYS C . 10327 1 410 . 1 1 37 37 LYS CA C 13 54.256 0.300 . 1 . . . . 37 LYS CA . 10327 1 411 . 1 1 37 37 LYS CB C 13 38.390 0.300 . 1 . . . . 37 LYS CB . 10327 1 412 . 1 1 37 37 LYS CD C 13 29.190 0.300 . 1 . . . . 37 LYS CD . 10327 1 413 . 1 1 37 37 LYS CE C 13 42.748 0.300 . 1 . . . . 37 LYS CE . 10327 1 414 . 1 1 37 37 LYS CG C 13 26.307 0.300 . 1 . . . . 37 LYS CG . 10327 1 415 . 1 1 37 37 LYS N N 15 123.005 0.300 . 1 . . . . 37 LYS N . 10327 1 416 . 1 1 38 38 ASP H H 1 8.423 0.030 . 1 . . . . 38 ASP H . 10327 1 417 . 1 1 38 38 ASP HA H 1 4.755 0.030 . 1 . . . . 38 ASP HA . 10327 1 418 . 1 1 38 38 ASP HB2 H 1 3.164 0.030 . 2 . . . . 38 ASP HB2 . 10327 1 419 . 1 1 38 38 ASP HB3 H 1 2.701 0.030 . 2 . . . . 38 ASP HB3 . 10327 1 420 . 1 1 38 38 ASP C C 13 177.570 0.300 . 1 . . . . 38 ASP C . 10327 1 421 . 1 1 38 38 ASP CA C 13 52.314 0.300 . 1 . . . . 38 ASP CA . 10327 1 422 . 1 1 38 38 ASP CB C 13 42.211 0.300 . 1 . . . . 38 ASP CB . 10327 1 423 . 1 1 38 38 ASP N N 15 119.113 0.300 . 1 . . . . 38 ASP N . 10327 1 424 . 1 1 39 39 ALA H H 1 8.216 0.030 . 1 . . . . 39 ALA H . 10327 1 425 . 1 1 39 39 ALA HA H 1 4.397 0.030 . 1 . . . . 39 ALA HA . 10327 1 426 . 1 1 39 39 ALA HB1 H 1 1.484 0.030 . 1 . . . . 39 ALA HB . 10327 1 427 . 1 1 39 39 ALA HB2 H 1 1.484 0.030 . 1 . . . . 39 ALA HB . 10327 1 428 . 1 1 39 39 ALA HB3 H 1 1.484 0.030 . 1 . . . . 39 ALA HB . 10327 1 429 . 1 1 39 39 ALA C C 13 179.034 0.300 . 1 . . . . 39 ALA C . 10327 1 430 . 1 1 39 39 ALA CA C 13 54.581 0.300 . 1 . . . . 39 ALA CA . 10327 1 431 . 1 1 39 39 ALA CB C 13 18.830 0.300 . 1 . . . . 39 ALA CB . 10327 1 432 . 1 1 39 39 ALA N N 15 117.293 0.300 . 1 . . . . 39 ALA N . 10327 1 433 . 1 1 40 40 ALA H H 1 7.976 0.030 . 1 . . . . 40 ALA H . 10327 1 434 . 1 1 40 40 ALA HA H 1 4.447 0.030 . 1 . . . . 40 ALA HA . 10327 1 435 . 1 1 40 40 ALA HB1 H 1 1.505 0.030 . 1 . . . . 40 ALA HB . 10327 1 436 . 1 1 40 40 ALA HB2 H 1 1.505 0.030 . 1 . . . . 40 ALA HB . 10327 1 437 . 1 1 40 40 ALA HB3 H 1 1.505 0.030 . 1 . . . . 40 ALA HB . 10327 1 438 . 1 1 40 40 ALA C C 13 178.212 0.300 . 1 . . . . 40 ALA C . 10327 1 439 . 1 1 40 40 ALA CA C 13 51.647 0.300 . 1 . . . . 40 ALA CA . 10327 1 440 . 1 1 40 40 ALA CB C 13 18.914 0.300 . 1 . . . . 40 ALA CB . 10327 1 441 . 1 1 40 40 ALA N N 15 120.086 0.300 . 1 . . . . 40 ALA N . 10327 1 442 . 1 1 41 41 GLY H H 1 8.509 0.030 . 1 . . . . 41 GLY H . 10327 1 443 . 1 1 41 41 GLY HA2 H 1 4.238 0.030 . 2 . . . . 41 GLY HA2 . 10327 1 444 . 1 1 41 41 GLY HA3 H 1 3.400 0.030 . 2 . . . . 41 GLY HA3 . 10327 1 445 . 1 1 41 41 GLY C C 13 173.707 0.300 . 1 . . . . 41 GLY C . 10327 1 446 . 1 1 41 41 GLY CA C 13 45.699 0.300 . 1 . . . . 41 GLY CA . 10327 1 447 . 1 1 41 41 GLY N N 15 108.436 0.300 . 1 . . . . 41 GLY N . 10327 1 448 . 1 1 42 42 GLU H H 1 8.555 0.030 . 1 . . . . 42 GLU H . 10327 1 449 . 1 1 42 42 GLU HA H 1 4.466 0.030 . 1 . . . . 42 GLU HA . 10327 1 450 . 1 1 42 42 GLU HB2 H 1 2.051 0.030 . 2 . . . . 42 GLU HB2 . 10327 1 451 . 1 1 42 42 GLU HB3 H 1 1.977 0.030 . 2 . . . . 42 GLU HB3 . 10327 1 452 . 1 1 42 42 GLU HG2 H 1 2.111 0.030 . 2 . . . . 42 GLU HG2 . 10327 1 453 . 1 1 42 42 GLU HG3 H 1 2.347 0.030 . 2 . . . . 42 GLU HG3 . 10327 1 454 . 1 1 42 42 GLU C C 13 176.344 0.300 . 1 . . . . 42 GLU C . 10327 1 455 . 1 1 42 42 GLU CA C 13 54.729 0.300 . 1 . . . . 42 GLU CA . 10327 1 456 . 1 1 42 42 GLU CB C 13 30.041 0.300 . 1 . . . . 42 GLU CB . 10327 1 457 . 1 1 42 42 GLU CG C 13 35.833 0.300 . 1 . . . . 42 GLU CG . 10327 1 458 . 1 1 42 42 GLU N N 15 122.308 0.300 . 1 . . . . 42 GLU N . 10327 1 459 . 1 1 43 43 ILE H H 1 8.626 0.030 . 1 . . . . 43 ILE H . 10327 1 460 . 1 1 43 43 ILE HA H 1 4.172 0.030 . 1 . . . . 43 ILE HA . 10327 1 461 . 1 1 43 43 ILE HB H 1 1.880 0.030 . 1 . . . . 43 ILE HB . 10327 1 462 . 1 1 43 43 ILE HD11 H 1 0.926 0.030 . 1 . . . . 43 ILE HD1 . 10327 1 463 . 1 1 43 43 ILE HD12 H 1 0.926 0.030 . 1 . . . . 43 ILE HD1 . 10327 1 464 . 1 1 43 43 ILE HD13 H 1 0.926 0.030 . 1 . . . . 43 ILE HD1 . 10327 1 465 . 1 1 43 43 ILE HG12 H 1 1.254 0.030 . 2 . . . . 43 ILE HG12 . 10327 1 466 . 1 1 43 43 ILE HG13 H 1 1.702 0.030 . 2 . . . . 43 ILE HG13 . 10327 1 467 . 1 1 43 43 ILE HG21 H 1 1.046 0.030 . 1 . . . . 43 ILE HG2 . 10327 1 468 . 1 1 43 43 ILE HG22 H 1 1.046 0.030 . 1 . . . . 43 ILE HG2 . 10327 1 469 . 1 1 43 43 ILE HG23 H 1 1.046 0.030 . 1 . . . . 43 ILE HG2 . 10327 1 470 . 1 1 43 43 ILE C C 13 177.668 0.300 . 1 . . . . 43 ILE C . 10327 1 471 . 1 1 43 43 ILE CA C 13 61.861 0.300 . 1 . . . . 43 ILE CA . 10327 1 472 . 1 1 43 43 ILE CB C 13 38.172 0.300 . 1 . . . . 43 ILE CB . 10327 1 473 . 1 1 43 43 ILE CD1 C 13 13.613 0.300 . 1 . . . . 43 ILE CD1 . 10327 1 474 . 1 1 43 43 ILE CG1 C 13 28.737 0.300 . 1 . . . . 43 ILE CG1 . 10327 1 475 . 1 1 43 43 ILE CG2 C 13 18.147 0.300 . 1 . . . . 43 ILE CG2 . 10327 1 476 . 1 1 43 43 ILE N N 15 122.448 0.300 . 1 . . . . 43 ILE N . 10327 1 477 . 1 1 44 44 MET H H 1 8.229 0.030 . 1 . . . . 44 MET H . 10327 1 478 . 1 1 44 44 MET HA H 1 4.447 0.030 . 1 . . . . 44 MET HA . 10327 1 479 . 1 1 44 44 MET HB2 H 1 1.977 0.030 . 1 . . . . 44 MET HB2 . 10327 1 480 . 1 1 44 44 MET HB3 H 1 1.977 0.030 . 1 . . . . 44 MET HB3 . 10327 1 481 . 1 1 44 44 MET HE1 H 1 1.975 0.030 . 1 . . . . 44 MET HE . 10327 1 482 . 1 1 44 44 MET HE2 H 1 1.975 0.030 . 1 . . . . 44 MET HE . 10327 1 483 . 1 1 44 44 MET HE3 H 1 1.975 0.030 . 1 . . . . 44 MET HE . 10327 1 484 . 1 1 44 44 MET HG2 H 1 2.592 0.030 . 2 . . . . 44 MET HG2 . 10327 1 485 . 1 1 44 44 MET HG3 H 1 2.150 0.030 . 2 . . . . 44 MET HG3 . 10327 1 486 . 1 1 44 44 MET C C 13 177.895 0.300 . 1 . . . . 44 MET C . 10327 1 487 . 1 1 44 44 MET CA C 13 55.727 0.300 . 1 . . . . 44 MET CA . 10327 1 488 . 1 1 44 44 MET CB C 13 31.855 0.300 . 1 . . . . 44 MET CB . 10327 1 489 . 1 1 44 44 MET CE C 13 15.910 0.300 . 1 . . . . 44 MET CE . 10327 1 490 . 1 1 44 44 MET CG C 13 31.907 0.300 . 1 . . . . 44 MET CG . 10327 1 491 . 1 1 44 44 MET N N 15 123.934 0.300 . 1 . . . . 44 MET N . 10327 1 492 . 1 1 45 45 GLY H H 1 7.606 0.030 . 1 . . . . 45 GLY H . 10327 1 493 . 1 1 45 45 GLY HA2 H 1 3.827 0.030 . 1 . . . . 45 GLY HA2 . 10327 1 494 . 1 1 45 45 GLY HA3 H 1 3.827 0.030 . 1 . . . . 45 GLY HA3 . 10327 1 495 . 1 1 45 45 GLY C C 13 172.207 0.300 . 1 . . . . 45 GLY C . 10327 1 496 . 1 1 45 45 GLY CA C 13 45.733 0.300 . 1 . . . . 45 GLY CA . 10327 1 497 . 1 1 45 45 GLY N N 15 103.076 0.300 . 1 . . . . 45 GLY N . 10327 1 498 . 1 1 46 46 ARG H H 1 7.085 0.030 . 1 . . . . 46 ARG H . 10327 1 499 . 1 1 46 46 ARG HA H 1 4.437 0.030 . 1 . . . . 46 ARG HA . 10327 1 500 . 1 1 46 46 ARG HB2 H 1 1.942 0.030 . 2 . . . . 46 ARG HB2 . 10327 1 501 . 1 1 46 46 ARG HB3 H 1 1.634 0.030 . 2 . . . . 46 ARG HB3 . 10327 1 502 . 1 1 46 46 ARG HD2 H 1 3.105 0.030 . 2 . . . . 46 ARG HD2 . 10327 1 503 . 1 1 46 46 ARG HD3 H 1 3.149 0.030 . 2 . . . . 46 ARG HD3 . 10327 1 504 . 1 1 46 46 ARG HG2 H 1 1.522 0.030 . 1 . . . . 46 ARG HG2 . 10327 1 505 . 1 1 46 46 ARG HG3 H 1 1.522 0.030 . 1 . . . . 46 ARG HG3 . 10327 1 506 . 1 1 46 46 ARG C C 13 174.552 0.300 . 1 . . . . 46 ARG C . 10327 1 507 . 1 1 46 46 ARG CA C 13 53.868 0.300 . 1 . . . . 46 ARG CA . 10327 1 508 . 1 1 46 46 ARG CB C 13 31.313 0.300 . 1 . . . . 46 ARG CB . 10327 1 509 . 1 1 46 46 ARG CD C 13 43.452 0.300 . 1 . . . . 46 ARG CD . 10327 1 510 . 1 1 46 46 ARG CG C 13 25.170 0.300 . 1 . . . . 46 ARG CG . 10327 1 511 . 1 1 46 46 ARG N N 15 114.076 0.300 . 1 . . . . 46 ARG N . 10327 1 512 . 1 1 47 47 GLY H H 1 8.383 0.030 . 1 . . . . 47 GLY H . 10327 1 513 . 1 1 47 47 GLY HA2 H 1 4.292 0.030 . 2 . . . . 47 GLY HA2 . 10327 1 514 . 1 1 47 47 GLY HA3 H 1 4.731 0.030 . 2 . . . . 47 GLY HA3 . 10327 1 515 . 1 1 47 47 GLY C C 13 175.093 0.300 . 1 . . . . 47 GLY C . 10327 1 516 . 1 1 47 47 GLY CA C 13 44.596 0.300 . 1 . . . . 47 GLY CA . 10327 1 517 . 1 1 47 47 GLY N N 15 108.753 0.300 . 1 . . . . 47 GLY N . 10327 1 518 . 1 1 48 48 GLY H H 1 9.884 0.030 . 1 . . . . 48 GLY H . 10327 1 519 . 1 1 48 48 GLY HA2 H 1 4.206 0.030 . 2 . . . . 48 GLY HA2 . 10327 1 520 . 1 1 48 48 GLY HA3 H 1 3.711 0.030 . 2 . . . . 48 GLY HA3 . 10327 1 521 . 1 1 48 48 GLY C C 13 175.317 0.300 . 1 . . . . 48 GLY C . 10327 1 522 . 1 1 48 48 GLY CA C 13 45.301 0.300 . 1 . . . . 48 GLY CA . 10327 1 523 . 1 1 48 48 GLY N N 15 110.011 0.300 . 1 . . . . 48 GLY N . 10327 1 524 . 1 1 49 49 ASP H H 1 8.162 0.030 . 1 . . . . 49 ASP H . 10327 1 525 . 1 1 49 49 ASP HA H 1 4.817 0.030 . 1 . . . . 49 ASP HA . 10327 1 526 . 1 1 49 49 ASP HB2 H 1 2.352 0.030 . 2 . . . . 49 ASP HB2 . 10327 1 527 . 1 1 49 49 ASP HB3 H 1 2.217 0.030 . 2 . . . . 49 ASP HB3 . 10327 1 528 . 1 1 49 49 ASP C C 13 175.541 0.300 . 1 . . . . 49 ASP C . 10327 1 529 . 1 1 49 49 ASP CA C 13 55.199 0.300 . 1 . . . . 49 ASP CA . 10327 1 530 . 1 1 49 49 ASP CB C 13 42.319 0.300 . 1 . . . . 49 ASP CB . 10327 1 531 . 1 1 49 49 ASP N N 15 118.961 0.300 . 1 . . . . 49 ASP N . 10327 1 532 . 1 1 50 50 ASN H H 1 8.943 0.030 . 1 . . . . 50 ASN H . 10327 1 533 . 1 1 50 50 ASN HA H 1 4.701 0.030 . 1 . . . . 50 ASN HA . 10327 1 534 . 1 1 50 50 ASN HB2 H 1 2.837 0.030 . 2 . . . . 50 ASN HB2 . 10327 1 535 . 1 1 50 50 ASN HB3 H 1 2.698 0.030 . 2 . . . . 50 ASN HB3 . 10327 1 536 . 1 1 50 50 ASN HD21 H 1 6.866 0.030 . 2 . . . . 50 ASN HD21 . 10327 1 537 . 1 1 50 50 ASN HD22 H 1 7.475 0.030 . 2 . . . . 50 ASN HD22 . 10327 1 538 . 1 1 50 50 ASN C C 13 173.771 0.300 . 1 . . . . 50 ASN C . 10327 1 539 . 1 1 50 50 ASN CA C 13 52.481 0.300 . 1 . . . . 50 ASN CA . 10327 1 540 . 1 1 50 50 ASN CB C 13 37.527 0.300 . 1 . . . . 50 ASN CB . 10327 1 541 . 1 1 50 50 ASN N N 15 119.770 0.300 . 1 . . . . 50 ASN N . 10327 1 542 . 1 1 50 50 ASN ND2 N 15 110.295 0.300 . 1 . . . . 50 ASN ND2 . 10327 1 543 . 1 1 51 51 VAL H H 1 7.534 0.030 . 1 . . . . 51 VAL H . 10327 1 544 . 1 1 51 51 VAL HA H 1 3.921 0.030 . 1 . . . . 51 VAL HA . 10327 1 545 . 1 1 51 51 VAL HB H 1 1.487 0.030 . 1 . . . . 51 VAL HB . 10327 1 546 . 1 1 51 51 VAL HG11 H 1 0.409 0.030 . 1 . . . . 51 VAL HG1 . 10327 1 547 . 1 1 51 51 VAL HG12 H 1 0.409 0.030 . 1 . . . . 51 VAL HG1 . 10327 1 548 . 1 1 51 51 VAL HG13 H 1 0.409 0.030 . 1 . . . . 51 VAL HG1 . 10327 1 549 . 1 1 51 51 VAL HG21 H 1 -0.259 0.030 . 1 . . . . 51 VAL HG2 . 10327 1 550 . 1 1 51 51 VAL HG22 H 1 -0.259 0.030 . 1 . . . . 51 VAL HG2 . 10327 1 551 . 1 1 51 51 VAL HG23 H 1 -0.259 0.030 . 1 . . . . 51 VAL HG2 . 10327 1 552 . 1 1 51 51 VAL C C 13 175.313 0.300 . 1 . . . . 51 VAL C . 10327 1 553 . 1 1 51 51 VAL CA C 13 62.667 0.300 . 1 . . . . 51 VAL CA . 10327 1 554 . 1 1 51 51 VAL CB C 13 32.284 0.300 . 1 . . . . 51 VAL CB . 10327 1 555 . 1 1 51 51 VAL CG1 C 13 21.224 0.300 . 2 . . . . 51 VAL CG1 . 10327 1 556 . 1 1 51 51 VAL CG2 C 13 19.826 0.300 . 2 . . . . 51 VAL CG2 . 10327 1 557 . 1 1 51 51 VAL N N 15 125.928 0.300 . 1 . . . . 51 VAL N . 10327 1 558 . 1 1 52 52 GLN H H 1 8.982 0.030 . 1 . . . . 52 GLN H . 10327 1 559 . 1 1 52 52 GLN HA H 1 4.530 0.030 . 1 . . . . 52 GLN HA . 10327 1 560 . 1 1 52 52 GLN HB2 H 1 1.907 0.030 . 2 . . . . 52 GLN HB2 . 10327 1 561 . 1 1 52 52 GLN HB3 H 1 1.785 0.030 . 2 . . . . 52 GLN HB3 . 10327 1 562 . 1 1 52 52 GLN HE21 H 1 7.370 0.030 . 2 . . . . 52 GLN HE21 . 10327 1 563 . 1 1 52 52 GLN HE22 H 1 6.829 0.030 . 2 . . . . 52 GLN HE22 . 10327 1 564 . 1 1 52 52 GLN HG2 H 1 2.122 0.030 . 2 . . . . 52 GLN HG2 . 10327 1 565 . 1 1 52 52 GLN HG3 H 1 2.221 0.030 . 2 . . . . 52 GLN HG3 . 10327 1 566 . 1 1 52 52 GLN C C 13 174.408 0.300 . 1 . . . . 52 GLN C . 10327 1 567 . 1 1 52 52 GLN CA C 13 54.385 0.300 . 1 . . . . 52 GLN CA . 10327 1 568 . 1 1 52 52 GLN CB C 13 31.085 0.300 . 1 . . . . 52 GLN CB . 10327 1 569 . 1 1 52 52 GLN CG C 13 33.305 0.300 . 1 . . . . 52 GLN CG . 10327 1 570 . 1 1 52 52 GLN N N 15 128.267 0.300 . 1 . . . . 52 GLN N . 10327 1 571 . 1 1 52 52 GLN NE2 N 15 112.582 0.300 . 1 . . . . 52 GLN NE2 . 10327 1 572 . 1 1 53 53 VAL H H 1 8.536 0.030 . 1 . . . . 53 VAL H . 10327 1 573 . 1 1 53 53 VAL HA H 1 5.407 0.030 . 1 . . . . 53 VAL HA . 10327 1 574 . 1 1 53 53 VAL HB H 1 1.730 0.030 . 1 . . . . 53 VAL HB . 10327 1 575 . 1 1 53 53 VAL HG11 H 1 0.859 0.030 . 1 . . . . 53 VAL HG1 . 10327 1 576 . 1 1 53 53 VAL HG12 H 1 0.859 0.030 . 1 . . . . 53 VAL HG1 . 10327 1 577 . 1 1 53 53 VAL HG13 H 1 0.859 0.030 . 1 . . . . 53 VAL HG1 . 10327 1 578 . 1 1 53 53 VAL HG21 H 1 0.897 0.030 . 1 . . . . 53 VAL HG2 . 10327 1 579 . 1 1 53 53 VAL HG22 H 1 0.897 0.030 . 1 . . . . 53 VAL HG2 . 10327 1 580 . 1 1 53 53 VAL HG23 H 1 0.897 0.030 . 1 . . . . 53 VAL HG2 . 10327 1 581 . 1 1 53 53 VAL C C 13 174.437 0.300 . 1 . . . . 53 VAL C . 10327 1 582 . 1 1 53 53 VAL CA C 13 59.384 0.300 . 1 . . . . 53 VAL CA . 10327 1 583 . 1 1 53 53 VAL CB C 13 34.761 0.300 . 1 . . . . 53 VAL CB . 10327 1 584 . 1 1 53 53 VAL CG1 C 13 20.620 0.300 . 2 . . . . 53 VAL CG1 . 10327 1 585 . 1 1 53 53 VAL CG2 C 13 22.103 0.300 . 2 . . . . 53 VAL CG2 . 10327 1 586 . 1 1 53 53 VAL N N 15 123.535 0.300 . 1 . . . . 53 VAL N . 10327 1 587 . 1 1 54 54 ALA H H 1 8.763 0.030 . 1 . . . . 54 ALA H . 10327 1 588 . 1 1 54 54 ALA HA H 1 4.608 0.030 . 1 . . . . 54 ALA HA . 10327 1 589 . 1 1 54 54 ALA HB1 H 1 0.903 0.030 . 1 . . . . 54 ALA HB . 10327 1 590 . 1 1 54 54 ALA HB2 H 1 0.903 0.030 . 1 . . . . 54 ALA HB . 10327 1 591 . 1 1 54 54 ALA HB3 H 1 0.903 0.030 . 1 . . . . 54 ALA HB . 10327 1 592 . 1 1 54 54 ALA C C 13 174.685 0.300 . 1 . . . . 54 ALA C . 10327 1 593 . 1 1 54 54 ALA CA C 13 50.831 0.300 . 1 . . . . 54 ALA CA . 10327 1 594 . 1 1 54 54 ALA CB C 13 21.992 0.300 . 1 . . . . 54 ALA CB . 10327 1 595 . 1 1 54 54 ALA N N 15 130.320 0.300 . 1 . . . . 54 ALA N . 10327 1 596 . 1 1 55 55 VAL H H 1 8.586 0.030 . 1 . . . . 55 VAL H . 10327 1 597 . 1 1 55 55 VAL HA H 1 4.447 0.030 . 1 . . . . 55 VAL HA . 10327 1 598 . 1 1 55 55 VAL HB H 1 1.534 0.030 . 1 . . . . 55 VAL HB . 10327 1 599 . 1 1 55 55 VAL HG11 H 1 0.253 0.030 . 1 . . . . 55 VAL HG1 . 10327 1 600 . 1 1 55 55 VAL HG12 H 1 0.253 0.030 . 1 . . . . 55 VAL HG1 . 10327 1 601 . 1 1 55 55 VAL HG13 H 1 0.253 0.030 . 1 . . . . 55 VAL HG1 . 10327 1 602 . 1 1 55 55 VAL HG21 H 1 0.106 0.030 . 1 . . . . 55 VAL HG2 . 10327 1 603 . 1 1 55 55 VAL HG22 H 1 0.106 0.030 . 1 . . . . 55 VAL HG2 . 10327 1 604 . 1 1 55 55 VAL HG23 H 1 0.106 0.030 . 1 . . . . 55 VAL HG2 . 10327 1 605 . 1 1 55 55 VAL C C 13 174.765 0.300 . 1 . . . . 55 VAL C . 10327 1 606 . 1 1 55 55 VAL CA C 13 61.909 0.300 . 1 . . . . 55 VAL CA . 10327 1 607 . 1 1 55 55 VAL CB C 13 32.832 0.300 . 1 . . . . 55 VAL CB . 10327 1 608 . 1 1 55 55 VAL CG1 C 13 20.660 0.300 . 2 . . . . 55 VAL CG1 . 10327 1 609 . 1 1 55 55 VAL CG2 C 13 19.655 0.300 . 2 . . . . 55 VAL CG2 . 10327 1 610 . 1 1 55 55 VAL N N 15 122.792 0.300 . 1 . . . . 55 VAL N . 10327 1 611 . 1 1 56 56 VAL H H 1 8.980 0.030 . 1 . . . . 56 VAL H . 10327 1 612 . 1 1 56 56 VAL HA H 1 4.670 0.030 . 1 . . . . 56 VAL HA . 10327 1 613 . 1 1 56 56 VAL HB H 1 1.941 0.030 . 1 . . . . 56 VAL HB . 10327 1 614 . 1 1 56 56 VAL HG11 H 1 0.822 0.030 . 1 . . . . 56 VAL HG1 . 10327 1 615 . 1 1 56 56 VAL HG12 H 1 0.822 0.030 . 1 . . . . 56 VAL HG1 . 10327 1 616 . 1 1 56 56 VAL HG13 H 1 0.822 0.030 . 1 . . . . 56 VAL HG1 . 10327 1 617 . 1 1 56 56 VAL HG21 H 1 0.532 0.030 . 1 . . . . 56 VAL HG2 . 10327 1 618 . 1 1 56 56 VAL HG22 H 1 0.532 0.030 . 1 . . . . 56 VAL HG2 . 10327 1 619 . 1 1 56 56 VAL HG23 H 1 0.532 0.030 . 1 . . . . 56 VAL HG2 . 10327 1 620 . 1 1 56 56 VAL C C 13 174.321 0.300 . 1 . . . . 56 VAL C . 10327 1 621 . 1 1 56 56 VAL CA C 13 58.943 0.300 . 1 . . . . 56 VAL CA . 10327 1 622 . 1 1 56 56 VAL CB C 13 35.070 0.300 . 1 . . . . 56 VAL CB . 10327 1 623 . 1 1 56 56 VAL CG1 C 13 20.942 0.300 . 2 . . . . 56 VAL CG1 . 10327 1 624 . 1 1 56 56 VAL CG2 C 13 20.096 0.300 . 2 . . . . 56 VAL CG2 . 10327 1 625 . 1 1 56 56 VAL N N 15 125.545 0.300 . 1 . . . . 56 VAL N . 10327 1 626 . 1 1 57 57 PRO HA H 1 3.916 0.030 . 1 . . . . 57 PRO HA . 10327 1 627 . 1 1 57 57 PRO HB2 H 1 1.779 0.030 . 2 . . . . 57 PRO HB2 . 10327 1 628 . 1 1 57 57 PRO HB3 H 1 1.887 0.030 . 2 . . . . 57 PRO HB3 . 10327 1 629 . 1 1 57 57 PRO HD2 H 1 3.837 0.030 . 1 . . . . 57 PRO HD2 . 10327 1 630 . 1 1 57 57 PRO HD3 H 1 3.837 0.030 . 1 . . . . 57 PRO HD3 . 10327 1 631 . 1 1 57 57 PRO HG2 H 1 2.076 0.030 . 2 . . . . 57 PRO HG2 . 10327 1 632 . 1 1 57 57 PRO HG3 H 1 1.893 0.030 . 2 . . . . 57 PRO HG3 . 10327 1 633 . 1 1 57 57 PRO C C 13 176.724 0.300 . 1 . . . . 57 PRO C . 10327 1 634 . 1 1 57 57 PRO CA C 13 62.760 0.300 . 1 . . . . 57 PRO CA . 10327 1 635 . 1 1 57 57 PRO CB C 13 31.508 0.300 . 1 . . . . 57 PRO CB . 10327 1 636 . 1 1 57 57 PRO CD C 13 51.615 0.300 . 1 . . . . 57 PRO CD . 10327 1 637 . 1 1 57 57 PRO CG C 13 27.413 0.300 . 1 . . . . 57 PRO CG . 10327 1 638 . 1 1 58 58 LYS H H 1 8.299 0.030 . 1 . . . . 58 LYS H . 10327 1 639 . 1 1 58 58 LYS HA H 1 3.947 0.030 . 1 . . . . 58 LYS HA . 10327 1 640 . 1 1 58 58 LYS HB2 H 1 1.588 0.030 . 1 . . . . 58 LYS HB2 . 10327 1 641 . 1 1 58 58 LYS HB3 H 1 1.588 0.030 . 1 . . . . 58 LYS HB3 . 10327 1 642 . 1 1 58 58 LYS HD2 H 1 1.559 0.030 . 1 . . . . 58 LYS HD2 . 10327 1 643 . 1 1 58 58 LYS HD3 H 1 1.559 0.030 . 1 . . . . 58 LYS HD3 . 10327 1 644 . 1 1 58 58 LYS HE2 H 1 2.889 0.030 . 1 . . . . 58 LYS HE2 . 10327 1 645 . 1 1 58 58 LYS HE3 H 1 2.889 0.030 . 1 . . . . 58 LYS HE3 . 10327 1 646 . 1 1 58 58 LYS HG2 H 1 1.283 0.030 . 1 . . . . 58 LYS HG2 . 10327 1 647 . 1 1 58 58 LYS HG3 H 1 1.283 0.030 . 1 . . . . 58 LYS HG3 . 10327 1 648 . 1 1 58 58 LYS C C 13 177.058 0.300 . 1 . . . . 58 LYS C . 10327 1 649 . 1 1 58 58 LYS CA C 13 58.303 0.300 . 1 . . . . 58 LYS CA . 10327 1 650 . 1 1 58 58 LYS CB C 13 32.818 0.300 . 1 . . . . 58 LYS CB . 10327 1 651 . 1 1 58 58 LYS CD C 13 29.192 0.300 . 1 . . . . 58 LYS CD . 10327 1 652 . 1 1 58 58 LYS CE C 13 41.996 0.300 . 1 . . . . 58 LYS CE . 10327 1 653 . 1 1 58 58 LYS CG C 13 25.070 0.300 . 1 . . . . 58 LYS CG . 10327 1 654 . 1 1 58 58 LYS N N 15 123.085 0.300 . 1 . . . . 58 LYS N . 10327 1 655 . 1 1 59 59 ASP H H 1 8.284 0.030 . 1 . . . . 59 ASP H . 10327 1 656 . 1 1 59 59 ASP HA H 1 4.579 0.030 . 1 . . . . 59 ASP HA . 10327 1 657 . 1 1 59 59 ASP HB2 H 1 2.749 0.030 . 2 . . . . 59 ASP HB2 . 10327 1 658 . 1 1 59 59 ASP HB3 H 1 2.502 0.030 . 2 . . . . 59 ASP HB3 . 10327 1 659 . 1 1 59 59 ASP C C 13 175.635 0.300 . 1 . . . . 59 ASP C . 10327 1 660 . 1 1 59 59 ASP CA C 13 53.869 0.300 . 1 . . . . 59 ASP CA . 10327 1 661 . 1 1 59 59 ASP CB C 13 41.399 0.300 . 1 . . . . 59 ASP CB . 10327 1 662 . 1 1 59 59 ASP N N 15 116.993 0.300 . 1 . . . . 59 ASP N . 10327 1 663 . 1 1 60 60 LYS H H 1 7.768 0.030 . 1 . . . . 60 LYS H . 10327 1 664 . 1 1 60 60 LYS HA H 1 4.255 0.030 . 1 . . . . 60 LYS HA . 10327 1 665 . 1 1 60 60 LYS HB2 H 1 1.807 0.030 . 2 . . . . 60 LYS HB2 . 10327 1 666 . 1 1 60 60 LYS HB3 H 1 1.655 0.030 . 2 . . . . 60 LYS HB3 . 10327 1 667 . 1 1 60 60 LYS HD2 H 1 1.641 0.030 . 1 . . . . 60 LYS HD2 . 10327 1 668 . 1 1 60 60 LYS HD3 H 1 1.641 0.030 . 1 . . . . 60 LYS HD3 . 10327 1 669 . 1 1 60 60 LYS HE2 H 1 2.955 0.030 . 1 . . . . 60 LYS HE2 . 10327 1 670 . 1 1 60 60 LYS HE3 H 1 2.955 0.030 . 1 . . . . 60 LYS HE3 . 10327 1 671 . 1 1 60 60 LYS HG2 H 1 1.374 0.030 . 1 . . . . 60 LYS HG2 . 10327 1 672 . 1 1 60 60 LYS HG3 H 1 1.374 0.030 . 1 . . . . 60 LYS HG3 . 10327 1 673 . 1 1 60 60 LYS C C 13 176.117 0.300 . 1 . . . . 60 LYS C . 10327 1 674 . 1 1 60 60 LYS CA C 13 56.474 0.300 . 1 . . . . 60 LYS CA . 10327 1 675 . 1 1 60 60 LYS CB C 13 32.696 0.300 . 1 . . . . 60 LYS CB . 10327 1 676 . 1 1 60 60 LYS CD C 13 29.027 0.300 . 1 . . . . 60 LYS CD . 10327 1 677 . 1 1 60 60 LYS CE C 13 42.133 0.300 . 1 . . . . 60 LYS CE . 10327 1 678 . 1 1 60 60 LYS CG C 13 24.656 0.300 . 1 . . . . 60 LYS CG . 10327 1 679 . 1 1 60 60 LYS N N 15 120.921 0.300 . 1 . . . . 60 LYS N . 10327 1 680 . 1 1 61 61 LYS H H 1 8.308 0.030 . 1 . . . . 61 LYS H . 10327 1 681 . 1 1 61 61 LYS HA H 1 4.239 0.030 . 1 . . . . 61 LYS HA . 10327 1 682 . 1 1 61 61 LYS HB2 H 1 1.783 0.030 . 2 . . . . 61 LYS HB2 . 10327 1 683 . 1 1 61 61 LYS HB3 H 1 1.744 0.030 . 2 . . . . 61 LYS HB3 . 10327 1 684 . 1 1 61 61 LYS HD2 H 1 1.641 0.030 . 1 . . . . 61 LYS HD2 . 10327 1 685 . 1 1 61 61 LYS HD3 H 1 1.641 0.030 . 1 . . . . 61 LYS HD3 . 10327 1 686 . 1 1 61 61 LYS HE2 H 1 2.955 0.030 . 1 . . . . 61 LYS HE2 . 10327 1 687 . 1 1 61 61 LYS HE3 H 1 2.955 0.030 . 1 . . . . 61 LYS HE3 . 10327 1 688 . 1 1 61 61 LYS HG2 H 1 1.358 0.030 . 1 . . . . 61 LYS HG2 . 10327 1 689 . 1 1 61 61 LYS HG3 H 1 1.358 0.030 . 1 . . . . 61 LYS HG3 . 10327 1 690 . 1 1 61 61 LYS C C 13 176.411 0.300 . 1 . . . . 61 LYS C . 10327 1 691 . 1 1 61 61 LYS CA C 13 56.573 0.300 . 1 . . . . 61 LYS CA . 10327 1 692 . 1 1 61 61 LYS CB C 13 32.796 0.300 . 1 . . . . 61 LYS CB . 10327 1 693 . 1 1 61 61 LYS CD C 13 29.027 0.300 . 1 . . . . 61 LYS CD . 10327 1 694 . 1 1 61 61 LYS CE C 13 42.051 0.300 . 1 . . . . 61 LYS CE . 10327 1 695 . 1 1 61 61 LYS CG C 13 24.650 0.300 . 1 . . . . 61 LYS CG . 10327 1 696 . 1 1 61 61 LYS N N 15 121.096 0.300 . 1 . . . . 61 LYS N . 10327 1 697 . 1 1 62 62 ASP H H 1 8.149 0.030 . 1 . . . . 62 ASP H . 10327 1 698 . 1 1 62 62 ASP HA H 1 4.637 0.030 . 1 . . . . 62 ASP HA . 10327 1 699 . 1 1 62 62 ASP HB2 H 1 2.709 0.030 . 2 . . . . 62 ASP HB2 . 10327 1 700 . 1 1 62 62 ASP HB3 H 1 2.638 0.030 . 2 . . . . 62 ASP HB3 . 10327 1 701 . 1 1 62 62 ASP C C 13 175.576 0.300 . 1 . . . . 62 ASP C . 10327 1 702 . 1 1 62 62 ASP CA C 13 54.149 0.300 . 1 . . . . 62 ASP CA . 10327 1 703 . 1 1 62 62 ASP CB C 13 41.397 0.300 . 1 . . . . 62 ASP CB . 10327 1 704 . 1 1 62 62 ASP N N 15 119.355 0.300 . 1 . . . . 62 ASP N . 10327 1 705 . 1 1 63 63 SER H H 1 8.169 0.030 . 1 . . . . 63 SER H . 10327 1 706 . 1 1 63 63 SER HA H 1 4.847 0.030 . 1 . . . . 63 SER HA . 10327 1 707 . 1 1 63 63 SER HB2 H 1 3.739 0.030 . 2 . . . . 63 SER HB2 . 10327 1 708 . 1 1 63 63 SER HB3 H 1 3.943 0.030 . 2 . . . . 63 SER HB3 . 10327 1 709 . 1 1 63 63 SER C C 13 171.815 0.300 . 1 . . . . 63 SER C . 10327 1 710 . 1 1 63 63 SER CA C 13 56.279 0.300 . 1 . . . . 63 SER CA . 10327 1 711 . 1 1 63 63 SER CB C 13 63.742 0.300 . 1 . . . . 63 SER CB . 10327 1 712 . 1 1 63 63 SER N N 15 115.528 0.300 . 1 . . . . 63 SER N . 10327 1 713 . 1 1 64 64 PRO HA H 1 4.591 0.030 . 1 . . . . 64 PRO HA . 10327 1 714 . 1 1 64 64 PRO HB2 H 1 2.298 0.030 . 2 . . . . 64 PRO HB2 . 10327 1 715 . 1 1 64 64 PRO HB3 H 1 1.879 0.030 . 2 . . . . 64 PRO HB3 . 10327 1 716 . 1 1 64 64 PRO HD2 H 1 3.663 0.030 . 2 . . . . 64 PRO HD2 . 10327 1 717 . 1 1 64 64 PRO HD3 H 1 3.771 0.030 . 2 . . . . 64 PRO HD3 . 10327 1 718 . 1 1 64 64 PRO HG2 H 1 2.012 0.030 . 1 . . . . 64 PRO HG2 . 10327 1 719 . 1 1 64 64 PRO HG3 H 1 2.012 0.030 . 1 . . . . 64 PRO HG3 . 10327 1 720 . 1 1 64 64 PRO C C 13 176.689 0.300 . 1 . . . . 64 PRO C . 10327 1 721 . 1 1 64 64 PRO CA C 13 63.016 0.300 . 1 . . . . 64 PRO CA . 10327 1 722 . 1 1 64 64 PRO CB C 13 32.534 0.300 . 1 . . . . 64 PRO CB . 10327 1 723 . 1 1 64 64 PRO CD C 13 50.694 0.300 . 1 . . . . 64 PRO CD . 10327 1 724 . 1 1 64 64 PRO CG C 13 27.462 0.300 . 1 . . . . 64 PRO CG . 10327 1 725 . 1 1 65 65 VAL H H 1 8.585 0.030 . 1 . . . . 65 VAL H . 10327 1 726 . 1 1 65 65 VAL HA H 1 4.075 0.030 . 1 . . . . 65 VAL HA . 10327 1 727 . 1 1 65 65 VAL HB H 1 1.938 0.030 . 1 . . . . 65 VAL HB . 10327 1 728 . 1 1 65 65 VAL HG11 H 1 0.900 0.030 . 1 . . . . 65 VAL HG1 . 10327 1 729 . 1 1 65 65 VAL HG12 H 1 0.900 0.030 . 1 . . . . 65 VAL HG1 . 10327 1 730 . 1 1 65 65 VAL HG13 H 1 0.900 0.030 . 1 . . . . 65 VAL HG1 . 10327 1 731 . 1 1 65 65 VAL HG21 H 1 1.002 0.030 . 1 . . . . 65 VAL HG2 . 10327 1 732 . 1 1 65 65 VAL HG22 H 1 1.002 0.030 . 1 . . . . 65 VAL HG2 . 10327 1 733 . 1 1 65 65 VAL HG23 H 1 1.002 0.030 . 1 . . . . 65 VAL HG2 . 10327 1 734 . 1 1 65 65 VAL C C 13 175.715 0.300 . 1 . . . . 65 VAL C . 10327 1 735 . 1 1 65 65 VAL CA C 13 61.728 0.300 . 1 . . . . 65 VAL CA . 10327 1 736 . 1 1 65 65 VAL CB C 13 33.281 0.300 . 1 . . . . 65 VAL CB . 10327 1 737 . 1 1 65 65 VAL CG1 C 13 22.110 0.300 . 2 . . . . 65 VAL CG1 . 10327 1 738 . 1 1 65 65 VAL CG2 C 13 22.717 0.300 . 2 . . . . 65 VAL CG2 . 10327 1 739 . 1 1 65 65 VAL N N 15 123.239 0.300 . 1 . . . . 65 VAL N . 10327 1 740 . 1 1 66 66 ARG H H 1 8.629 0.030 . 1 . . . . 66 ARG H . 10327 1 741 . 1 1 66 66 ARG HA H 1 4.382 0.030 . 1 . . . . 66 ARG HA . 10327 1 742 . 1 1 66 66 ARG HB2 H 1 1.838 0.030 . 1 . . . . 66 ARG HB2 . 10327 1 743 . 1 1 66 66 ARG HB3 H 1 1.838 0.030 . 1 . . . . 66 ARG HB3 . 10327 1 744 . 1 1 66 66 ARG HD2 H 1 3.232 0.030 . 1 . . . . 66 ARG HD2 . 10327 1 745 . 1 1 66 66 ARG HD3 H 1 3.232 0.030 . 1 . . . . 66 ARG HD3 . 10327 1 746 . 1 1 66 66 ARG HG2 H 1 1.772 0.030 . 2 . . . . 66 ARG HG2 . 10327 1 747 . 1 1 66 66 ARG HG3 H 1 1.621 0.030 . 2 . . . . 66 ARG HG3 . 10327 1 748 . 1 1 66 66 ARG C C 13 176.309 0.300 . 1 . . . . 66 ARG C . 10327 1 749 . 1 1 66 66 ARG CA C 13 56.859 0.300 . 1 . . . . 66 ARG CA . 10327 1 750 . 1 1 66 66 ARG CB C 13 30.409 0.300 . 1 . . . . 66 ARG CB . 10327 1 751 . 1 1 66 66 ARG CD C 13 43.455 0.300 . 1 . . . . 66 ARG CD . 10327 1 752 . 1 1 66 66 ARG CG C 13 27.337 0.300 . 1 . . . . 66 ARG CG . 10327 1 753 . 1 1 66 66 ARG N N 15 128.393 0.300 . 1 . . . . 66 ARG N . 10327 1 754 . 1 1 67 67 THR H H 1 8.468 0.030 . 1 . . . . 67 THR H . 10327 1 755 . 1 1 67 67 THR HA H 1 5.099 0.030 . 1 . . . . 67 THR HA . 10327 1 756 . 1 1 67 67 THR HB H 1 3.940 0.030 . 1 . . . . 67 THR HB . 10327 1 757 . 1 1 67 67 THR HG21 H 1 1.016 0.030 . 1 . . . . 67 THR HG2 . 10327 1 758 . 1 1 67 67 THR HG22 H 1 1.016 0.030 . 1 . . . . 67 THR HG2 . 10327 1 759 . 1 1 67 67 THR HG23 H 1 1.016 0.030 . 1 . . . . 67 THR HG2 . 10327 1 760 . 1 1 67 67 THR C C 13 173.614 0.300 . 1 . . . . 67 THR C . 10327 1 761 . 1 1 67 67 THR CA C 13 59.865 0.300 . 1 . . . . 67 THR CA . 10327 1 762 . 1 1 67 67 THR CB C 13 71.955 0.300 . 1 . . . . 67 THR CB . 10327 1 763 . 1 1 67 67 THR CG2 C 13 22.333 0.300 . 1 . . . . 67 THR CG2 . 10327 1 764 . 1 1 67 67 THR N N 15 116.723 0.300 . 1 . . . . 67 THR N . 10327 1 765 . 1 1 68 68 MET H H 1 8.924 0.030 . 1 . . . . 68 MET H . 10327 1 766 . 1 1 68 68 MET HA H 1 4.755 0.030 . 1 . . . . 68 MET HA . 10327 1 767 . 1 1 68 68 MET HB2 H 1 1.941 0.030 . 2 . . . . 68 MET HB2 . 10327 1 768 . 1 1 68 68 MET HB3 H 1 2.038 0.030 . 2 . . . . 68 MET HB3 . 10327 1 769 . 1 1 68 68 MET HE1 H 1 2.034 0.030 . 1 . . . . 68 MET HE . 10327 1 770 . 1 1 68 68 MET HE2 H 1 2.034 0.030 . 1 . . . . 68 MET HE . 10327 1 771 . 1 1 68 68 MET HE3 H 1 2.034 0.030 . 1 . . . . 68 MET HE . 10327 1 772 . 1 1 68 68 MET HG2 H 1 2.482 0.030 . 1 . . . . 68 MET HG2 . 10327 1 773 . 1 1 68 68 MET HG3 H 1 2.482 0.030 . 1 . . . . 68 MET HG3 . 10327 1 774 . 1 1 68 68 MET C C 13 173.880 0.300 . 1 . . . . 68 MET C . 10327 1 775 . 1 1 68 68 MET CA C 13 54.983 0.300 . 1 . . . . 68 MET CA . 10327 1 776 . 1 1 68 68 MET CB C 13 35.238 0.300 . 1 . . . . 68 MET CB . 10327 1 777 . 1 1 68 68 MET CE C 13 17.047 0.300 . 1 . . . . 68 MET CE . 10327 1 778 . 1 1 68 68 MET CG C 13 32.381 0.300 . 1 . . . . 68 MET CG . 10327 1 779 . 1 1 68 68 MET N N 15 121.632 0.300 . 1 . . . . 68 MET N . 10327 1 780 . 1 1 69 69 VAL H H 1 8.516 0.030 . 1 . . . . 69 VAL H . 10327 1 781 . 1 1 69 69 VAL HA H 1 4.505 0.030 . 1 . . . . 69 VAL HA . 10327 1 782 . 1 1 69 69 VAL HB H 1 2.093 0.030 . 1 . . . . 69 VAL HB . 10327 1 783 . 1 1 69 69 VAL HG11 H 1 0.905 0.030 . 1 . . . . 69 VAL HG1 . 10327 1 784 . 1 1 69 69 VAL HG12 H 1 0.905 0.030 . 1 . . . . 69 VAL HG1 . 10327 1 785 . 1 1 69 69 VAL HG13 H 1 0.905 0.030 . 1 . . . . 69 VAL HG1 . 10327 1 786 . 1 1 69 69 VAL HG21 H 1 0.905 0.030 . 1 . . . . 69 VAL HG2 . 10327 1 787 . 1 1 69 69 VAL HG22 H 1 0.905 0.030 . 1 . . . . 69 VAL HG2 . 10327 1 788 . 1 1 69 69 VAL HG23 H 1 0.905 0.030 . 1 . . . . 69 VAL HG2 . 10327 1 789 . 1 1 69 69 VAL C C 13 174.985 0.300 . 1 . . . . 69 VAL C . 10327 1 790 . 1 1 69 69 VAL CA C 13 61.691 0.300 . 1 . . . . 69 VAL CA . 10327 1 791 . 1 1 69 69 VAL CB C 13 34.120 0.300 . 1 . . . . 69 VAL CB . 10327 1 792 . 1 1 69 69 VAL CG1 C 13 21.553 0.300 . 1 . . . . 69 VAL CG1 . 10327 1 793 . 1 1 69 69 VAL CG2 C 13 21.553 0.300 . 1 . . . . 69 VAL CG2 . 10327 1 794 . 1 1 69 69 VAL N N 15 123.375 0.300 . 1 . . . . 69 VAL N . 10327 1 795 . 1 1 70 70 GLN H H 1 9.389 0.030 . 1 . . . . 70 GLN H . 10327 1 796 . 1 1 70 70 GLN HA H 1 4.768 0.030 . 1 . . . . 70 GLN HA . 10327 1 797 . 1 1 70 70 GLN HB2 H 1 2.346 0.030 . 2 . . . . 70 GLN HB2 . 10327 1 798 . 1 1 70 70 GLN HB3 H 1 2.138 0.030 . 2 . . . . 70 GLN HB3 . 10327 1 799 . 1 1 70 70 GLN HE21 H 1 7.803 0.030 . 2 . . . . 70 GLN HE21 . 10327 1 800 . 1 1 70 70 GLN HE22 H 1 6.869 0.030 . 2 . . . . 70 GLN HE22 . 10327 1 801 . 1 1 70 70 GLN HG2 H 1 2.164 0.030 . 1 . . . . 70 GLN HG2 . 10327 1 802 . 1 1 70 70 GLN HG3 H 1 2.164 0.030 . 1 . . . . 70 GLN HG3 . 10327 1 803 . 1 1 70 70 GLN C C 13 173.915 0.300 . 1 . . . . 70 GLN C . 10327 1 804 . 1 1 70 70 GLN CA C 13 54.298 0.300 . 1 . . . . 70 GLN CA . 10327 1 805 . 1 1 70 70 GLN CB C 13 31.700 0.300 . 1 . . . . 70 GLN CB . 10327 1 806 . 1 1 70 70 GLN CG C 13 33.808 0.300 . 1 . . . . 70 GLN CG . 10327 1 807 . 1 1 70 70 GLN N N 15 129.617 0.300 . 1 . . . . 70 GLN N . 10327 1 808 . 1 1 70 70 GLN NE2 N 15 113.051 0.300 . 1 . . . . 70 GLN NE2 . 10327 1 809 . 1 1 71 71 ASP H H 1 8.912 0.030 . 1 . . . . 71 ASP H . 10327 1 810 . 1 1 71 71 ASP HA H 1 4.380 0.030 . 1 . . . . 71 ASP HA . 10327 1 811 . 1 1 71 71 ASP HB2 H 1 3.069 0.030 . 2 . . . . 71 ASP HB2 . 10327 1 812 . 1 1 71 71 ASP HB3 H 1 2.809 0.030 . 2 . . . . 71 ASP HB3 . 10327 1 813 . 1 1 71 71 ASP C C 13 176.399 0.300 . 1 . . . . 71 ASP C . 10327 1 814 . 1 1 71 71 ASP CA C 13 53.113 0.300 . 1 . . . . 71 ASP CA . 10327 1 815 . 1 1 71 71 ASP CB C 13 41.578 0.300 . 1 . . . . 71 ASP CB . 10327 1 816 . 1 1 71 71 ASP N N 15 127.151 0.300 . 1 . . . . 71 ASP N . 10327 1 817 . 1 1 72 72 ASN H H 1 7.430 0.030 . 1 . . . . 72 ASN H . 10327 1 818 . 1 1 72 72 ASN HA H 1 4.575 0.030 . 1 . . . . 72 ASN HA . 10327 1 819 . 1 1 72 72 ASN HB2 H 1 2.825 0.030 . 2 . . . . 72 ASN HB2 . 10327 1 820 . 1 1 72 72 ASN HB3 H 1 2.639 0.030 . 2 . . . . 72 ASN HB3 . 10327 1 821 . 1 1 72 72 ASN HD21 H 1 7.284 0.030 . 1 . . . . 72 ASN HD21 . 10327 1 822 . 1 1 72 72 ASN HD22 H 1 7.284 0.030 . 1 . . . . 72 ASN HD22 . 10327 1 823 . 1 1 72 72 ASN C C 13 174.366 0.300 . 1 . . . . 72 ASN C . 10327 1 824 . 1 1 72 72 ASN CA C 13 54.272 0.300 . 1 . . . . 72 ASN CA . 10327 1 825 . 1 1 72 72 ASN CB C 13 37.725 0.300 . 1 . . . . 72 ASN CB . 10327 1 826 . 1 1 72 72 ASN N N 15 124.568 0.300 . 1 . . . . 72 ASN N . 10327 1 827 . 1 1 72 72 ASN ND2 N 15 110.870 0.300 . 1 . . . . 72 ASN ND2 . 10327 1 828 . 1 1 73 73 LYS H H 1 9.148 0.030 . 1 . . . . 73 LYS H . 10327 1 829 . 1 1 73 73 LYS HA H 1 3.539 0.030 . 1 . . . . 73 LYS HA . 10327 1 830 . 1 1 73 73 LYS HB2 H 1 2.107 0.030 . 2 . . . . 73 LYS HB2 . 10327 1 831 . 1 1 73 73 LYS HB3 H 1 1.954 0.030 . 2 . . . . 73 LYS HB3 . 10327 1 832 . 1 1 73 73 LYS HD2 H 1 1.559 0.030 . 2 . . . . 73 LYS HD2 . 10327 1 833 . 1 1 73 73 LYS HD3 H 1 1.625 0.030 . 2 . . . . 73 LYS HD3 . 10327 1 834 . 1 1 73 73 LYS HE2 H 1 2.983 0.030 . 1 . . . . 73 LYS HE2 . 10327 1 835 . 1 1 73 73 LYS HE3 H 1 2.983 0.030 . 1 . . . . 73 LYS HE3 . 10327 1 836 . 1 1 73 73 LYS HG2 H 1 1.167 0.030 . 2 . . . . 73 LYS HG2 . 10327 1 837 . 1 1 73 73 LYS HG3 H 1 1.278 0.030 . 2 . . . . 73 LYS HG3 . 10327 1 838 . 1 1 73 73 LYS C C 13 174.352 0.300 . 1 . . . . 73 LYS C . 10327 1 839 . 1 1 73 73 LYS CA C 13 57.482 0.300 . 1 . . . . 73 LYS CA . 10327 1 840 . 1 1 73 73 LYS CB C 13 28.458 0.300 . 1 . . . . 73 LYS CB . 10327 1 841 . 1 1 73 73 LYS CD C 13 28.684 0.300 . 1 . . . . 73 LYS CD . 10327 1 842 . 1 1 73 73 LYS CE C 13 42.298 0.300 . 1 . . . . 73 LYS CE . 10327 1 843 . 1 1 73 73 LYS CG C 13 24.763 0.300 . 1 . . . . 73 LYS CG . 10327 1 844 . 1 1 73 73 LYS N N 15 114.998 0.300 . 1 . . . . 73 LYS N . 10327 1 845 . 1 1 74 74 ASP H H 1 7.814 0.030 . 1 . . . . 74 ASP H . 10327 1 846 . 1 1 74 74 ASP HA H 1 4.381 0.030 . 1 . . . . 74 ASP HA . 10327 1 847 . 1 1 74 74 ASP HB2 H 1 2.952 0.030 . 2 . . . . 74 ASP HB2 . 10327 1 848 . 1 1 74 74 ASP HB3 H 1 2.312 0.030 . 2 . . . . 74 ASP HB3 . 10327 1 849 . 1 1 74 74 ASP C C 13 176.009 0.300 . 1 . . . . 74 ASP C . 10327 1 850 . 1 1 74 74 ASP CA C 13 52.416 0.300 . 1 . . . . 74 ASP CA . 10327 1 851 . 1 1 74 74 ASP CB C 13 41.358 0.300 . 1 . . . . 74 ASP CB . 10327 1 852 . 1 1 74 74 ASP N N 15 116.437 0.300 . 1 . . . . 74 ASP N . 10327 1 853 . 1 1 75 75 GLY H H 1 8.589 0.030 . 1 . . . . 75 GLY H . 10327 1 854 . 1 1 75 75 GLY HA2 H 1 4.534 0.030 . 2 . . . . 75 GLY HA2 . 10327 1 855 . 1 1 75 75 GLY HA3 H 1 3.635 0.030 . 2 . . . . 75 GLY HA3 . 10327 1 856 . 1 1 75 75 GLY C C 13 172.494 0.300 . 1 . . . . 75 GLY C . 10327 1 857 . 1 1 75 75 GLY CA C 13 45.484 0.300 . 1 . . . . 75 GLY CA . 10327 1 858 . 1 1 75 75 GLY N N 15 111.320 0.300 . 1 . . . . 75 GLY N . 10327 1 859 . 1 1 76 76 THR H H 1 8.297 0.030 . 1 . . . . 76 THR H . 10327 1 860 . 1 1 76 76 THR HA H 1 5.950 0.030 . 1 . . . . 76 THR HA . 10327 1 861 . 1 1 76 76 THR HB H 1 4.069 0.030 . 1 . . . . 76 THR HB . 10327 1 862 . 1 1 76 76 THR HG21 H 1 1.138 0.030 . 1 . . . . 76 THR HG2 . 10327 1 863 . 1 1 76 76 THR HG22 H 1 1.138 0.030 . 1 . . . . 76 THR HG2 . 10327 1 864 . 1 1 76 76 THR HG23 H 1 1.138 0.030 . 1 . . . . 76 THR HG2 . 10327 1 865 . 1 1 76 76 THR C C 13 175.058 0.300 . 1 . . . . 76 THR C . 10327 1 866 . 1 1 76 76 THR CA C 13 59.807 0.300 . 1 . . . . 76 THR CA . 10327 1 867 . 1 1 76 76 THR CB C 13 73.012 0.300 . 1 . . . . 76 THR CB . 10327 1 868 . 1 1 76 76 THR CG2 C 13 22.172 0.300 . 1 . . . . 76 THR CG2 . 10327 1 869 . 1 1 76 76 THR N N 15 109.767 0.300 . 1 . . . . 76 THR N . 10327 1 870 . 1 1 77 77 TYR H H 1 9.194 0.030 . 1 . . . . 77 TYR H . 10327 1 871 . 1 1 77 77 TYR HA H 1 5.292 0.030 . 1 . . . . 77 TYR HA . 10327 1 872 . 1 1 77 77 TYR HB2 H 1 2.798 0.030 . 2 . . . . 77 TYR HB2 . 10327 1 873 . 1 1 77 77 TYR HB3 H 1 2.612 0.030 . 2 . . . . 77 TYR HB3 . 10327 1 874 . 1 1 77 77 TYR HD1 H 1 6.809 0.030 . 1 . . . . 77 TYR HD1 . 10327 1 875 . 1 1 77 77 TYR HD2 H 1 6.809 0.030 . 1 . . . . 77 TYR HD2 . 10327 1 876 . 1 1 77 77 TYR HE1 H 1 6.882 0.030 . 1 . . . . 77 TYR HE1 . 10327 1 877 . 1 1 77 77 TYR HE2 H 1 6.882 0.030 . 1 . . . . 77 TYR HE2 . 10327 1 878 . 1 1 77 77 TYR C C 13 174.656 0.300 . 1 . . . . 77 TYR C . 10327 1 879 . 1 1 77 77 TYR CA C 13 56.589 0.300 . 1 . . . . 77 TYR CA . 10327 1 880 . 1 1 77 77 TYR CB C 13 41.257 0.300 . 1 . . . . 77 TYR CB . 10327 1 881 . 1 1 77 77 TYR CD1 C 13 132.021 0.300 . 1 . . . . 77 TYR CD1 . 10327 1 882 . 1 1 77 77 TYR CD2 C 13 132.021 0.300 . 1 . . . . 77 TYR CD2 . 10327 1 883 . 1 1 77 77 TYR CE1 C 13 118.947 0.300 . 1 . . . . 77 TYR CE1 . 10327 1 884 . 1 1 77 77 TYR CE2 C 13 118.947 0.300 . 1 . . . . 77 TYR CE2 . 10327 1 885 . 1 1 77 77 TYR N N 15 120.506 0.300 . 1 . . . . 77 TYR N . 10327 1 886 . 1 1 78 78 TYR H H 1 9.146 0.030 . 1 . . . . 78 TYR H . 10327 1 887 . 1 1 78 78 TYR HA H 1 5.288 0.030 . 1 . . . . 78 TYR HA . 10327 1 888 . 1 1 78 78 TYR HB2 H 1 3.044 0.030 . 1 . . . . 78 TYR HB2 . 10327 1 889 . 1 1 78 78 TYR HB3 H 1 3.044 0.030 . 1 . . . . 78 TYR HB3 . 10327 1 890 . 1 1 78 78 TYR HD1 H 1 7.093 0.030 . 1 . . . . 78 TYR HD1 . 10327 1 891 . 1 1 78 78 TYR HD2 H 1 7.093 0.030 . 1 . . . . 78 TYR HD2 . 10327 1 892 . 1 1 78 78 TYR HE1 H 1 6.712 0.030 . 1 . . . . 78 TYR HE1 . 10327 1 893 . 1 1 78 78 TYR HE2 H 1 6.712 0.030 . 1 . . . . 78 TYR HE2 . 10327 1 894 . 1 1 78 78 TYR C C 13 174.772 0.300 . 1 . . . . 78 TYR C . 10327 1 895 . 1 1 78 78 TYR CA C 13 55.912 0.300 . 1 . . . . 78 TYR CA . 10327 1 896 . 1 1 78 78 TYR CB C 13 39.802 0.300 . 1 . . . . 78 TYR CB . 10327 1 897 . 1 1 78 78 TYR CD1 C 13 132.889 0.300 . 1 . . . . 78 TYR CD1 . 10327 1 898 . 1 1 78 78 TYR CD2 C 13 132.889 0.300 . 1 . . . . 78 TYR CD2 . 10327 1 899 . 1 1 78 78 TYR CE1 C 13 118.167 0.300 . 1 . . . . 78 TYR CE1 . 10327 1 900 . 1 1 78 78 TYR CE2 C 13 118.167 0.300 . 1 . . . . 78 TYR CE2 . 10327 1 901 . 1 1 78 78 TYR N N 15 124.430 0.300 . 1 . . . . 78 TYR N . 10327 1 902 . 1 1 79 79 ILE H H 1 8.977 0.030 . 1 . . . . 79 ILE H . 10327 1 903 . 1 1 79 79 ILE HA H 1 4.743 0.030 . 1 . . . . 79 ILE HA . 10327 1 904 . 1 1 79 79 ILE HB H 1 0.488 0.030 . 1 . . . . 79 ILE HB . 10327 1 905 . 1 1 79 79 ILE HD11 H 1 0.738 0.030 . 1 . . . . 79 ILE HD1 . 10327 1 906 . 1 1 79 79 ILE HD12 H 1 0.738 0.030 . 1 . . . . 79 ILE HD1 . 10327 1 907 . 1 1 79 79 ILE HD13 H 1 0.738 0.030 . 1 . . . . 79 ILE HD1 . 10327 1 908 . 1 1 79 79 ILE HG12 H 1 0.966 0.030 . 2 . . . . 79 ILE HG12 . 10327 1 909 . 1 1 79 79 ILE HG13 H 1 1.384 0.030 . 2 . . . . 79 ILE HG13 . 10327 1 910 . 1 1 79 79 ILE HG21 H 1 0.521 0.030 . 1 . . . . 79 ILE HG2 . 10327 1 911 . 1 1 79 79 ILE HG22 H 1 0.521 0.030 . 1 . . . . 79 ILE HG2 . 10327 1 912 . 1 1 79 79 ILE HG23 H 1 0.521 0.030 . 1 . . . . 79 ILE HG2 . 10327 1 913 . 1 1 79 79 ILE C C 13 173.441 0.300 . 1 . . . . 79 ILE C . 10327 1 914 . 1 1 79 79 ILE CA C 13 60.131 0.300 . 1 . . . . 79 ILE CA . 10327 1 915 . 1 1 79 79 ILE CB C 13 38.930 0.300 . 1 . . . . 79 ILE CB . 10327 1 916 . 1 1 79 79 ILE CD1 C 13 15.515 0.300 . 1 . . . . 79 ILE CD1 . 10327 1 917 . 1 1 79 79 ILE CG1 C 13 29.171 0.300 . 1 . . . . 79 ILE CG1 . 10327 1 918 . 1 1 79 79 ILE CG2 C 13 19.519 0.300 . 1 . . . . 79 ILE CG2 . 10327 1 919 . 1 1 79 79 ILE N N 15 132.138 0.300 . 1 . . . . 79 ILE N . 10327 1 920 . 1 1 80 80 SER H H 1 8.742 0.030 . 1 . . . . 80 SER H . 10327 1 921 . 1 1 80 80 SER HA H 1 5.614 0.030 . 1 . . . . 80 SER HA . 10327 1 922 . 1 1 80 80 SER HB2 H 1 3.466 0.030 . 2 . . . . 80 SER HB2 . 10327 1 923 . 1 1 80 80 SER HB3 H 1 3.511 0.030 . 2 . . . . 80 SER HB3 . 10327 1 924 . 1 1 80 80 SER C C 13 172.598 0.300 . 1 . . . . 80 SER C . 10327 1 925 . 1 1 80 80 SER CA C 13 56.128 0.300 . 1 . . . . 80 SER CA . 10327 1 926 . 1 1 80 80 SER CB C 13 66.990 0.300 . 1 . . . . 80 SER CB . 10327 1 927 . 1 1 80 80 SER N N 15 117.735 0.300 . 1 . . . . 80 SER N . 10327 1 928 . 1 1 81 81 TYR H H 1 8.752 0.030 . 1 . . . . 81 TYR H . 10327 1 929 . 1 1 81 81 TYR HA H 1 5.014 0.030 . 1 . . . . 81 TYR HA . 10327 1 930 . 1 1 81 81 TYR HB2 H 1 2.968 0.030 . 2 . . . . 81 TYR HB2 . 10327 1 931 . 1 1 81 81 TYR HB3 H 1 2.560 0.030 . 2 . . . . 81 TYR HB3 . 10327 1 932 . 1 1 81 81 TYR HD1 H 1 6.394 0.030 . 1 . . . . 81 TYR HD1 . 10327 1 933 . 1 1 81 81 TYR HD2 H 1 6.394 0.030 . 1 . . . . 81 TYR HD2 . 10327 1 934 . 1 1 81 81 TYR HE1 H 1 6.321 0.030 . 1 . . . . 81 TYR HE1 . 10327 1 935 . 1 1 81 81 TYR HE2 H 1 6.321 0.030 . 1 . . . . 81 TYR HE2 . 10327 1 936 . 1 1 81 81 TYR C C 13 172.730 0.300 . 1 . . . . 81 TYR C . 10327 1 937 . 1 1 81 81 TYR CA C 13 56.899 0.300 . 1 . . . . 81 TYR CA . 10327 1 938 . 1 1 81 81 TYR CB C 13 40.443 0.300 . 1 . . . . 81 TYR CB . 10327 1 939 . 1 1 81 81 TYR CD1 C 13 132.481 0.300 . 1 . . . . 81 TYR CD1 . 10327 1 940 . 1 1 81 81 TYR CD2 C 13 132.481 0.300 . 1 . . . . 81 TYR CD2 . 10327 1 941 . 1 1 81 81 TYR CE1 C 13 116.758 0.300 . 1 . . . . 81 TYR CE1 . 10327 1 942 . 1 1 81 81 TYR CE2 C 13 116.758 0.300 . 1 . . . . 81 TYR CE2 . 10327 1 943 . 1 1 81 81 TYR N N 15 116.762 0.300 . 1 . . . . 81 TYR N . 10327 1 944 . 1 1 82 82 THR H H 1 8.399 0.030 . 1 . . . . 82 THR H . 10327 1 945 . 1 1 82 82 THR HA H 1 4.855 0.030 . 1 . . . . 82 THR HA . 10327 1 946 . 1 1 82 82 THR HB H 1 3.894 0.030 . 1 . . . . 82 THR HB . 10327 1 947 . 1 1 82 82 THR HG21 H 1 0.758 0.030 . 1 . . . . 82 THR HG2 . 10327 1 948 . 1 1 82 82 THR HG22 H 1 0.758 0.030 . 1 . . . . 82 THR HG2 . 10327 1 949 . 1 1 82 82 THR HG23 H 1 0.758 0.030 . 1 . . . . 82 THR HG2 . 10327 1 950 . 1 1 82 82 THR C C 13 172.106 0.300 . 1 . . . . 82 THR C . 10327 1 951 . 1 1 82 82 THR CA C 13 58.720 0.300 . 1 . . . . 82 THR CA . 10327 1 952 . 1 1 82 82 THR CB C 13 69.841 0.300 . 1 . . . . 82 THR CB . 10327 1 953 . 1 1 82 82 THR CG2 C 13 20.496 0.300 . 1 . . . . 82 THR CG2 . 10327 1 954 . 1 1 82 82 THR N N 15 116.822 0.300 . 1 . . . . 82 THR N . 10327 1 955 . 1 1 83 83 PRO HA H 1 4.445 0.030 . 1 . . . . 83 PRO HA . 10327 1 956 . 1 1 83 83 PRO HB2 H 1 1.733 0.030 . 2 . . . . 83 PRO HB2 . 10327 1 957 . 1 1 83 83 PRO HB3 H 1 1.448 0.030 . 2 . . . . 83 PRO HB3 . 10327 1 958 . 1 1 83 83 PRO HD2 H 1 3.497 0.030 . 2 . . . . 83 PRO HD2 . 10327 1 959 . 1 1 83 83 PRO HD3 H 1 4.236 0.030 . 2 . . . . 83 PRO HD3 . 10327 1 960 . 1 1 83 83 PRO HG2 H 1 1.587 0.030 . 2 . . . . 83 PRO HG2 . 10327 1 961 . 1 1 83 83 PRO HG3 H 1 2.208 0.030 . 2 . . . . 83 PRO HG3 . 10327 1 962 . 1 1 83 83 PRO C C 13 176.358 0.300 . 1 . . . . 83 PRO C . 10327 1 963 . 1 1 83 83 PRO CA C 13 61.903 0.300 . 1 . . . . 83 PRO CA . 10327 1 964 . 1 1 83 83 PRO CB C 13 31.938 0.300 . 1 . . . . 83 PRO CB . 10327 1 965 . 1 1 83 83 PRO CD C 13 49.828 0.300 . 1 . . . . 83 PRO CD . 10327 1 966 . 1 1 83 83 PRO CG C 13 27.214 0.300 . 1 . . . . 83 PRO CG . 10327 1 967 . 1 1 84 84 LYS H H 1 8.923 0.030 . 1 . . . . 84 LYS H . 10327 1 968 . 1 1 84 84 LYS HA H 1 4.171 0.030 . 1 . . . . 84 LYS HA . 10327 1 969 . 1 1 84 84 LYS HB2 H 1 1.947 0.030 . 1 . . . . 84 LYS HB2 . 10327 1 970 . 1 1 84 84 LYS HB3 H 1 1.947 0.030 . 1 . . . . 84 LYS HB3 . 10327 1 971 . 1 1 84 84 LYS HD2 H 1 1.728 0.030 . 1 . . . . 84 LYS HD2 . 10327 1 972 . 1 1 84 84 LYS HD3 H 1 1.728 0.030 . 1 . . . . 84 LYS HD3 . 10327 1 973 . 1 1 84 84 LYS HE2 H 1 3.037 0.030 . 1 . . . . 84 LYS HE2 . 10327 1 974 . 1 1 84 84 LYS HE3 H 1 3.037 0.030 . 1 . . . . 84 LYS HE3 . 10327 1 975 . 1 1 84 84 LYS HG2 H 1 1.420 0.030 . 2 . . . . 84 LYS HG2 . 10327 1 976 . 1 1 84 84 LYS HG3 H 1 1.573 0.030 . 2 . . . . 84 LYS HG3 . 10327 1 977 . 1 1 84 84 LYS C C 13 175.426 0.300 . 1 . . . . 84 LYS C . 10327 1 978 . 1 1 84 84 LYS CA C 13 57.958 0.300 . 1 . . . . 84 LYS CA . 10327 1 979 . 1 1 84 84 LYS CB C 13 33.775 0.300 . 1 . . . . 84 LYS CB . 10327 1 980 . 1 1 84 84 LYS CD C 13 29.439 0.300 . 1 . . . . 84 LYS CD . 10327 1 981 . 1 1 84 84 LYS CE C 13 42.159 0.300 . 1 . . . . 84 LYS CE . 10327 1 982 . 1 1 84 84 LYS CG C 13 25.514 0.300 . 1 . . . . 84 LYS CG . 10327 1 983 . 1 1 84 84 LYS N N 15 124.174 0.300 . 1 . . . . 84 LYS N . 10327 1 984 . 1 1 85 85 GLU H H 1 7.536 0.030 . 1 . . . . 85 GLU H . 10327 1 985 . 1 1 85 85 GLU HA H 1 5.083 0.030 . 1 . . . . 85 GLU HA . 10327 1 986 . 1 1 85 85 GLU HB2 H 1 1.766 0.030 . 2 . . . . 85 GLU HB2 . 10327 1 987 . 1 1 85 85 GLU HB3 H 1 2.151 0.030 . 2 . . . . 85 GLU HB3 . 10327 1 988 . 1 1 85 85 GLU HG2 H 1 2.247 0.030 . 2 . . . . 85 GLU HG2 . 10327 1 989 . 1 1 85 85 GLU HG3 H 1 2.355 0.030 . 2 . . . . 85 GLU HG3 . 10327 1 990 . 1 1 85 85 GLU C C 13 174.903 0.300 . 1 . . . . 85 GLU C . 10327 1 991 . 1 1 85 85 GLU CA C 13 52.635 0.300 . 1 . . . . 85 GLU CA . 10327 1 992 . 1 1 85 85 GLU CB C 13 31.114 0.300 . 1 . . . . 85 GLU CB . 10327 1 993 . 1 1 85 85 GLU CG C 13 35.301 0.300 . 1 . . . . 85 GLU CG . 10327 1 994 . 1 1 85 85 GLU N N 15 114.190 0.300 . 1 . . . . 85 GLU N . 10327 1 995 . 1 1 86 86 PRO HA H 1 4.329 0.030 . 1 . . . . 86 PRO HA . 10327 1 996 . 1 1 86 86 PRO HB2 H 1 2.071 0.030 . 1 . . . . 86 PRO HB2 . 10327 1 997 . 1 1 86 86 PRO HB3 H 1 2.071 0.030 . 1 . . . . 86 PRO HB3 . 10327 1 998 . 1 1 86 86 PRO HD2 H 1 3.823 0.030 . 1 . . . . 86 PRO HD2 . 10327 1 999 . 1 1 86 86 PRO HD3 H 1 3.823 0.030 . 1 . . . . 86 PRO HD3 . 10327 1 1000 . 1 1 86 86 PRO HG2 H 1 1.783 0.030 . 2 . . . . 86 PRO HG2 . 10327 1 1001 . 1 1 86 86 PRO HG3 H 1 2.077 0.030 . 2 . . . . 86 PRO HG3 . 10327 1 1002 . 1 1 86 86 PRO C C 13 175.072 0.300 . 1 . . . . 86 PRO C . 10327 1 1003 . 1 1 86 86 PRO CA C 13 62.593 0.300 . 1 . . . . 86 PRO CA . 10327 1 1004 . 1 1 86 86 PRO CB C 13 32.589 0.300 . 1 . . . . 86 PRO CB . 10327 1 1005 . 1 1 86 86 PRO CD C 13 50.730 0.300 . 1 . . . . 86 PRO CD . 10327 1 1006 . 1 1 86 86 PRO CG C 13 27.587 0.300 . 1 . . . . 86 PRO CG . 10327 1 1007 . 1 1 87 87 GLY H H 1 8.709 0.030 . 1 . . . . 87 GLY H . 10327 1 1008 . 1 1 87 87 GLY HA2 H 1 4.519 0.030 . 2 . . . . 87 GLY HA2 . 10327 1 1009 . 1 1 87 87 GLY HA3 H 1 3.943 0.030 . 2 . . . . 87 GLY HA3 . 10327 1 1010 . 1 1 87 87 GLY C C 13 171.501 0.300 . 1 . . . . 87 GLY C . 10327 1 1011 . 1 1 87 87 GLY CA C 13 44.237 0.300 . 1 . . . . 87 GLY CA . 10327 1 1012 . 1 1 87 87 GLY N N 15 107.888 0.300 . 1 . . . . 87 GLY N . 10327 1 1013 . 1 1 88 88 VAL H H 1 8.373 0.030 . 1 . . . . 88 VAL H . 10327 1 1014 . 1 1 88 88 VAL HA H 1 4.959 0.030 . 1 . . . . 88 VAL HA . 10327 1 1015 . 1 1 88 88 VAL HB H 1 1.790 0.030 . 1 . . . . 88 VAL HB . 10327 1 1016 . 1 1 88 88 VAL HG11 H 1 1.015 0.030 . 1 . . . . 88 VAL HG1 . 10327 1 1017 . 1 1 88 88 VAL HG12 H 1 1.015 0.030 . 1 . . . . 88 VAL HG1 . 10327 1 1018 . 1 1 88 88 VAL HG13 H 1 1.015 0.030 . 1 . . . . 88 VAL HG1 . 10327 1 1019 . 1 1 88 88 VAL HG21 H 1 0.911 0.030 . 1 . . . . 88 VAL HG2 . 10327 1 1020 . 1 1 88 88 VAL HG22 H 1 0.911 0.030 . 1 . . . . 88 VAL HG2 . 10327 1 1021 . 1 1 88 88 VAL HG23 H 1 0.911 0.030 . 1 . . . . 88 VAL HG2 . 10327 1 1022 . 1 1 88 88 VAL C C 13 175.831 0.300 . 1 . . . . 88 VAL C . 10327 1 1023 . 1 1 88 88 VAL CA C 13 62.346 0.300 . 1 . . . . 88 VAL CA . 10327 1 1024 . 1 1 88 88 VAL CB C 13 32.822 0.300 . 1 . . . . 88 VAL CB . 10327 1 1025 . 1 1 88 88 VAL CG1 C 13 21.801 0.300 . 2 . . . . 88 VAL CG1 . 10327 1 1026 . 1 1 88 88 VAL CG2 C 13 22.154 0.300 . 2 . . . . 88 VAL CG2 . 10327 1 1027 . 1 1 88 88 VAL N N 15 120.931 0.300 . 1 . . . . 88 VAL N . 10327 1 1028 . 1 1 89 89 TYR H H 1 9.463 0.030 . 1 . . . . 89 TYR H . 10327 1 1029 . 1 1 89 89 TYR HA H 1 5.001 0.030 . 1 . . . . 89 TYR HA . 10327 1 1030 . 1 1 89 89 TYR HB2 H 1 2.563 0.030 . 2 . . . . 89 TYR HB2 . 10327 1 1031 . 1 1 89 89 TYR HB3 H 1 2.344 0.030 . 2 . . . . 89 TYR HB3 . 10327 1 1032 . 1 1 89 89 TYR HD1 H 1 6.762 0.030 . 1 . . . . 89 TYR HD1 . 10327 1 1033 . 1 1 89 89 TYR HD2 H 1 6.762 0.030 . 1 . . . . 89 TYR HD2 . 10327 1 1034 . 1 1 89 89 TYR HE1 H 1 6.569 0.030 . 1 . . . . 89 TYR HE1 . 10327 1 1035 . 1 1 89 89 TYR HE2 H 1 6.569 0.030 . 1 . . . . 89 TYR HE2 . 10327 1 1036 . 1 1 89 89 TYR C C 13 174.237 0.300 . 1 . . . . 89 TYR C . 10327 1 1037 . 1 1 89 89 TYR CA C 13 56.016 0.300 . 1 . . . . 89 TYR CA . 10327 1 1038 . 1 1 89 89 TYR CB C 13 41.342 0.300 . 1 . . . . 89 TYR CB . 10327 1 1039 . 1 1 89 89 TYR CD1 C 13 133.099 0.300 . 1 . . . . 89 TYR CD1 . 10327 1 1040 . 1 1 89 89 TYR CD2 C 13 133.099 0.300 . 1 . . . . 89 TYR CD2 . 10327 1 1041 . 1 1 89 89 TYR CE1 C 13 117.129 0.300 . 1 . . . . 89 TYR CE1 . 10327 1 1042 . 1 1 89 89 TYR CE2 C 13 117.129 0.300 . 1 . . . . 89 TYR CE2 . 10327 1 1043 . 1 1 89 89 TYR N N 15 126.968 0.300 . 1 . . . . 89 TYR N . 10327 1 1044 . 1 1 90 90 THR H H 1 9.013 0.030 . 1 . . . . 90 THR H . 10327 1 1045 . 1 1 90 90 THR HA H 1 4.768 0.030 . 1 . . . . 90 THR HA . 10327 1 1046 . 1 1 90 90 THR HB H 1 3.832 0.030 . 1 . . . . 90 THR HB . 10327 1 1047 . 1 1 90 90 THR HG21 H 1 1.124 0.030 . 1 . . . . 90 THR HG2 . 10327 1 1048 . 1 1 90 90 THR HG22 H 1 1.124 0.030 . 1 . . . . 90 THR HG2 . 10327 1 1049 . 1 1 90 90 THR HG23 H 1 1.124 0.030 . 1 . . . . 90 THR HG2 . 10327 1 1050 . 1 1 90 90 THR C C 13 172.906 0.300 . 1 . . . . 90 THR C . 10327 1 1051 . 1 1 90 90 THR CA C 13 61.675 0.300 . 1 . . . . 90 THR CA . 10327 1 1052 . 1 1 90 90 THR CB C 13 69.918 0.300 . 1 . . . . 90 THR CB . 10327 1 1053 . 1 1 90 90 THR CG2 C 13 22.433 0.300 . 1 . . . . 90 THR CG2 . 10327 1 1054 . 1 1 90 90 THR N N 15 117.511 0.300 . 1 . . . . 90 THR N . 10327 1 1055 . 1 1 91 91 VAL H H 1 9.248 0.030 . 1 . . . . 91 VAL H . 10327 1 1056 . 1 1 91 91 VAL HA H 1 4.626 0.030 . 1 . . . . 91 VAL HA . 10327 1 1057 . 1 1 91 91 VAL HB H 1 -0.022 0.030 . 1 . . . . 91 VAL HB . 10327 1 1058 . 1 1 91 91 VAL HG11 H 1 0.438 0.030 . 1 . . . . 91 VAL HG1 . 10327 1 1059 . 1 1 91 91 VAL HG12 H 1 0.438 0.030 . 1 . . . . 91 VAL HG1 . 10327 1 1060 . 1 1 91 91 VAL HG13 H 1 0.438 0.030 . 1 . . . . 91 VAL HG1 . 10327 1 1061 . 1 1 91 91 VAL HG21 H 1 0.222 0.030 . 1 . . . . 91 VAL HG2 . 10327 1 1062 . 1 1 91 91 VAL HG22 H 1 0.222 0.030 . 1 . . . . 91 VAL HG2 . 10327 1 1063 . 1 1 91 91 VAL HG23 H 1 0.222 0.030 . 1 . . . . 91 VAL HG2 . 10327 1 1064 . 1 1 91 91 VAL C C 13 174.642 0.300 . 1 . . . . 91 VAL C . 10327 1 1065 . 1 1 91 91 VAL CA C 13 60.961 0.300 . 1 . . . . 91 VAL CA . 10327 1 1066 . 1 1 91 91 VAL CB C 13 31.715 0.300 . 1 . . . . 91 VAL CB . 10327 1 1067 . 1 1 91 91 VAL CG1 C 13 21.774 0.300 . 2 . . . . 91 VAL CG1 . 10327 1 1068 . 1 1 91 91 VAL CG2 C 13 21.574 0.300 . 2 . . . . 91 VAL CG2 . 10327 1 1069 . 1 1 91 91 VAL N N 15 128.751 0.300 . 1 . . . . 91 VAL N . 10327 1 1070 . 1 1 92 92 TRP H H 1 9.137 0.030 . 1 . . . . 92 TRP H . 10327 1 1071 . 1 1 92 92 TRP HA H 1 5.251 0.030 . 1 . . . . 92 TRP HA . 10327 1 1072 . 1 1 92 92 TRP HB2 H 1 3.267 0.030 . 2 . . . . 92 TRP HB2 . 10327 1 1073 . 1 1 92 92 TRP HB3 H 1 3.106 0.030 . 2 . . . . 92 TRP HB3 . 10327 1 1074 . 1 1 92 92 TRP HD1 H 1 7.075 0.030 . 1 . . . . 92 TRP HD1 . 10327 1 1075 . 1 1 92 92 TRP HE1 H 1 10.202 0.030 . 1 . . . . 92 TRP HE1 . 10327 1 1076 . 1 1 92 92 TRP HE3 H 1 7.399 0.030 . 1 . . . . 92 TRP HE3 . 10327 1 1077 . 1 1 92 92 TRP HH2 H 1 7.199 0.030 . 1 . . . . 92 TRP HH2 . 10327 1 1078 . 1 1 92 92 TRP HZ2 H 1 7.415 0.030 . 1 . . . . 92 TRP HZ2 . 10327 1 1079 . 1 1 92 92 TRP HZ3 H 1 7.029 0.030 . 1 . . . . 92 TRP HZ3 . 10327 1 1080 . 1 1 92 92 TRP C C 13 175.387 0.300 . 1 . . . . 92 TRP C . 10327 1 1081 . 1 1 92 92 TRP CA C 13 54.126 0.300 . 1 . . . . 92 TRP CA . 10327 1 1082 . 1 1 92 92 TRP CB C 13 31.938 0.300 . 1 . . . . 92 TRP CB . 10327 1 1083 . 1 1 92 92 TRP CD1 C 13 124.487 0.300 . 1 . . . . 92 TRP CD1 . 10327 1 1084 . 1 1 92 92 TRP CE3 C 13 121.158 0.300 . 1 . . . . 92 TRP CE3 . 10327 1 1085 . 1 1 92 92 TRP CH2 C 13 124.955 0.300 . 1 . . . . 92 TRP CH2 . 10327 1 1086 . 1 1 92 92 TRP CZ2 C 13 114.385 0.300 . 1 . . . . 92 TRP CZ2 . 10327 1 1087 . 1 1 92 92 TRP CZ3 C 13 121.898 0.300 . 1 . . . . 92 TRP CZ3 . 10327 1 1088 . 1 1 92 92 TRP N N 15 125.193 0.300 . 1 . . . . 92 TRP N . 10327 1 1089 . 1 1 92 92 TRP NE1 N 15 128.214 0.300 . 1 . . . . 92 TRP NE1 . 10327 1 1090 . 1 1 93 93 VAL H H 1 9.805 0.030 . 1 . . . . 93 VAL H . 10327 1 1091 . 1 1 93 93 VAL HA H 1 4.620 0.030 . 1 . . . . 93 VAL HA . 10327 1 1092 . 1 1 93 93 VAL HB H 1 2.128 0.030 . 1 . . . . 93 VAL HB . 10327 1 1093 . 1 1 93 93 VAL HG11 H 1 0.840 0.030 . 1 . . . . 93 VAL HG1 . 10327 1 1094 . 1 1 93 93 VAL HG12 H 1 0.840 0.030 . 1 . . . . 93 VAL HG1 . 10327 1 1095 . 1 1 93 93 VAL HG13 H 1 0.840 0.030 . 1 . . . . 93 VAL HG1 . 10327 1 1096 . 1 1 93 93 VAL HG21 H 1 1.191 0.030 . 1 . . . . 93 VAL HG2 . 10327 1 1097 . 1 1 93 93 VAL HG22 H 1 1.191 0.030 . 1 . . . . 93 VAL HG2 . 10327 1 1098 . 1 1 93 93 VAL HG23 H 1 1.191 0.030 . 1 . . . . 93 VAL HG2 . 10327 1 1099 . 1 1 93 93 VAL C C 13 174.117 0.300 . 1 . . . . 93 VAL C . 10327 1 1100 . 1 1 93 93 VAL CA C 13 62.202 0.300 . 1 . . . . 93 VAL CA . 10327 1 1101 . 1 1 93 93 VAL CB C 13 33.304 0.300 . 1 . . . . 93 VAL CB . 10327 1 1102 . 1 1 93 93 VAL CG1 C 13 22.125 0.300 . 2 . . . . 93 VAL CG1 . 10327 1 1103 . 1 1 93 93 VAL CG2 C 13 21.363 0.300 . 2 . . . . 93 VAL CG2 . 10327 1 1104 . 1 1 93 93 VAL N N 15 123.434 0.300 . 1 . . . . 93 VAL N . 10327 1 1105 . 1 1 94 94 CYS H H 1 8.874 0.030 . 1 . . . . 94 CYS H . 10327 1 1106 . 1 1 94 94 CYS HA H 1 5.270 0.030 . 1 . . . . 94 CYS HA . 10327 1 1107 . 1 1 94 94 CYS HB2 H 1 2.403 0.030 . 2 . . . . 94 CYS HB2 . 10327 1 1108 . 1 1 94 94 CYS HB3 H 1 2.253 0.030 . 2 . . . . 94 CYS HB3 . 10327 1 1109 . 1 1 94 94 CYS C C 13 173.497 0.300 . 1 . . . . 94 CYS C . 10327 1 1110 . 1 1 94 94 CYS CA C 13 55.915 0.300 . 1 . . . . 94 CYS CA . 10327 1 1111 . 1 1 94 94 CYS CB C 13 33.101 0.300 . 1 . . . . 94 CYS CB . 10327 1 1112 . 1 1 94 94 CYS N N 15 122.116 0.300 . 1 . . . . 94 CYS N . 10327 1 1113 . 1 1 95 95 ILE H H 1 8.653 0.030 . 1 . . . . 95 ILE H . 10327 1 1114 . 1 1 95 95 ILE HA H 1 4.380 0.030 . 1 . . . . 95 ILE HA . 10327 1 1115 . 1 1 95 95 ILE HB H 1 1.460 0.030 . 1 . . . . 95 ILE HB . 10327 1 1116 . 1 1 95 95 ILE HD11 H 1 0.673 0.030 . 1 . . . . 95 ILE HD1 . 10327 1 1117 . 1 1 95 95 ILE HD12 H 1 0.673 0.030 . 1 . . . . 95 ILE HD1 . 10327 1 1118 . 1 1 95 95 ILE HD13 H 1 0.673 0.030 . 1 . . . . 95 ILE HD1 . 10327 1 1119 . 1 1 95 95 ILE HG12 H 1 1.286 0.030 . 2 . . . . 95 ILE HG12 . 10327 1 1120 . 1 1 95 95 ILE HG13 H 1 0.880 0.030 . 2 . . . . 95 ILE HG13 . 10327 1 1121 . 1 1 95 95 ILE HG21 H 1 0.764 0.030 . 1 . . . . 95 ILE HG2 . 10327 1 1122 . 1 1 95 95 ILE HG22 H 1 0.764 0.030 . 1 . . . . 95 ILE HG2 . 10327 1 1123 . 1 1 95 95 ILE HG23 H 1 0.764 0.030 . 1 . . . . 95 ILE HG2 . 10327 1 1124 . 1 1 95 95 ILE C C 13 176.378 0.300 . 1 . . . . 95 ILE C . 10327 1 1125 . 1 1 95 95 ILE CA C 13 60.041 0.300 . 1 . . . . 95 ILE CA . 10327 1 1126 . 1 1 95 95 ILE CB C 13 40.085 0.300 . 1 . . . . 95 ILE CB . 10327 1 1127 . 1 1 95 95 ILE CD1 C 13 14.588 0.300 . 1 . . . . 95 ILE CD1 . 10327 1 1128 . 1 1 95 95 ILE CG1 C 13 27.378 0.300 . 1 . . . . 95 ILE CG1 . 10327 1 1129 . 1 1 95 95 ILE CG2 C 13 17.496 0.300 . 1 . . . . 95 ILE CG2 . 10327 1 1130 . 1 1 95 95 ILE N N 15 120.211 0.300 . 1 . . . . 95 ILE N . 10327 1 1131 . 1 1 96 96 LYS H H 1 9.053 0.030 . 1 . . . . 96 LYS H . 10327 1 1132 . 1 1 96 96 LYS HA H 1 3.751 0.030 . 1 . . . . 96 LYS HA . 10327 1 1133 . 1 1 96 96 LYS HB2 H 1 2.018 0.030 . 2 . . . . 96 LYS HB2 . 10327 1 1134 . 1 1 96 96 LYS HB3 H 1 1.881 0.030 . 2 . . . . 96 LYS HB3 . 10327 1 1135 . 1 1 96 96 LYS HD2 H 1 1.730 0.030 . 1 . . . . 96 LYS HD2 . 10327 1 1136 . 1 1 96 96 LYS HD3 H 1 1.730 0.030 . 1 . . . . 96 LYS HD3 . 10327 1 1137 . 1 1 96 96 LYS HE2 H 1 2.981 0.030 . 1 . . . . 96 LYS HE2 . 10327 1 1138 . 1 1 96 96 LYS HE3 H 1 2.981 0.030 . 1 . . . . 96 LYS HE3 . 10327 1 1139 . 1 1 96 96 LYS HG2 H 1 1.458 0.030 . 1 . . . . 96 LYS HG2 . 10327 1 1140 . 1 1 96 96 LYS HG3 H 1 1.458 0.030 . 1 . . . . 96 LYS HG3 . 10327 1 1141 . 1 1 96 96 LYS C C 13 175.361 0.300 . 1 . . . . 96 LYS C . 10327 1 1142 . 1 1 96 96 LYS CA C 13 58.507 0.300 . 1 . . . . 96 LYS CA . 10327 1 1143 . 1 1 96 96 LYS CB C 13 30.156 0.300 . 1 . . . . 96 LYS CB . 10327 1 1144 . 1 1 96 96 LYS CD C 13 29.644 0.300 . 1 . . . . 96 LYS CD . 10327 1 1145 . 1 1 96 96 LYS CE C 13 42.131 0.300 . 1 . . . . 96 LYS CE . 10327 1 1146 . 1 1 96 96 LYS CG C 13 25.836 0.300 . 1 . . . . 96 LYS CG . 10327 1 1147 . 1 1 96 96 LYS N N 15 126.627 0.300 . 1 . . . . 96 LYS N . 10327 1 1148 . 1 1 97 97 GLU H H 1 8.707 0.030 . 1 . . . . 97 GLU H . 10327 1 1149 . 1 1 97 97 GLU HA H 1 3.733 0.030 . 1 . . . . 97 GLU HA . 10327 1 1150 . 1 1 97 97 GLU HB2 H 1 2.206 0.030 . 1 . . . . 97 GLU HB2 . 10327 1 1151 . 1 1 97 97 GLU HB3 H 1 2.206 0.030 . 1 . . . . 97 GLU HB3 . 10327 1 1152 . 1 1 97 97 GLU HG2 H 1 2.127 0.030 . 1 . . . . 97 GLU HG2 . 10327 1 1153 . 1 1 97 97 GLU HG3 H 1 2.127 0.030 . 1 . . . . 97 GLU HG3 . 10327 1 1154 . 1 1 97 97 GLU C C 13 175.310 0.300 . 1 . . . . 97 GLU C . 10327 1 1155 . 1 1 97 97 GLU CA C 13 57.542 0.300 . 1 . . . . 97 GLU CA . 10327 1 1156 . 1 1 97 97 GLU CB C 13 27.838 0.300 . 1 . . . . 97 GLU CB . 10327 1 1157 . 1 1 97 97 GLU CG C 13 37.035 0.300 . 1 . . . . 97 GLU CG . 10327 1 1158 . 1 1 97 97 GLU N N 15 110.992 0.300 . 1 . . . . 97 GLU N . 10327 1 1159 . 1 1 98 98 GLN H H 1 7.845 0.030 . 1 . . . . 98 GLN H . 10327 1 1160 . 1 1 98 98 GLN HA H 1 4.552 0.030 . 1 . . . . 98 GLN HA . 10327 1 1161 . 1 1 98 98 GLN HB2 H 1 2.014 0.030 . 2 . . . . 98 GLN HB2 . 10327 1 1162 . 1 1 98 98 GLN HB3 H 1 2.069 0.030 . 2 . . . . 98 GLN HB3 . 10327 1 1163 . 1 1 98 98 GLN HE21 H 1 7.072 0.030 . 2 . . . . 98 GLN HE21 . 10327 1 1164 . 1 1 98 98 GLN HE22 H 1 7.570 0.030 . 2 . . . . 98 GLN HE22 . 10327 1 1165 . 1 1 98 98 GLN HG2 H 1 2.345 0.030 . 2 . . . . 98 GLN HG2 . 10327 1 1166 . 1 1 98 98 GLN HG3 H 1 2.434 0.030 . 2 . . . . 98 GLN HG3 . 10327 1 1167 . 1 1 98 98 GLN C C 13 175.220 0.300 . 1 . . . . 98 GLN C . 10327 1 1168 . 1 1 98 98 GLN CA C 13 54.303 0.300 . 1 . . . . 98 GLN CA . 10327 1 1169 . 1 1 98 98 GLN CB C 13 30.844 0.300 . 1 . . . . 98 GLN CB . 10327 1 1170 . 1 1 98 98 GLN CG C 13 33.642 0.300 . 1 . . . . 98 GLN CG . 10327 1 1171 . 1 1 98 98 GLN N N 15 119.931 0.300 . 1 . . . . 98 GLN N . 10327 1 1172 . 1 1 98 98 GLN NE2 N 15 112.262 0.300 . 1 . . . . 98 GLN NE2 . 10327 1 1173 . 1 1 99 99 HIS H H 1 8.447 0.030 . 1 . . . . 99 HIS H . 10327 1 1174 . 1 1 99 99 HIS HA H 1 4.497 0.030 . 1 . . . . 99 HIS HA . 10327 1 1175 . 1 1 99 99 HIS HB2 H 1 3.204 0.030 . 2 . . . . 99 HIS HB2 . 10327 1 1176 . 1 1 99 99 HIS HB3 H 1 2.776 0.030 . 2 . . . . 99 HIS HB3 . 10327 1 1177 . 1 1 99 99 HIS HD2 H 1 6.909 0.030 . 1 . . . . 99 HIS HD2 . 10327 1 1178 . 1 1 99 99 HIS HE1 H 1 6.191 0.030 . 1 . . . . 99 HIS HE1 . 10327 1 1179 . 1 1 99 99 HIS C C 13 177.342 0.300 . 1 . . . . 99 HIS C . 10327 1 1180 . 1 1 99 99 HIS CA C 13 58.473 0.300 . 1 . . . . 99 HIS CA . 10327 1 1181 . 1 1 99 99 HIS CB C 13 32.588 0.300 . 1 . . . . 99 HIS CB . 10327 1 1182 . 1 1 99 99 HIS CD2 C 13 117.516 0.300 . 1 . . . . 99 HIS CD2 . 10327 1 1183 . 1 1 99 99 HIS CE1 C 13 136.014 0.300 . 1 . . . . 99 HIS CE1 . 10327 1 1184 . 1 1 99 99 HIS N N 15 123.787 0.300 . 1 . . . . 99 HIS N . 10327 1 1185 . 1 1 100 100 VAL H H 1 7.983 0.030 . 1 . . . . 100 VAL H . 10327 1 1186 . 1 1 100 100 VAL HA H 1 4.658 0.030 . 1 . . . . 100 VAL HA . 10327 1 1187 . 1 1 100 100 VAL HB H 1 2.224 0.030 . 1 . . . . 100 VAL HB . 10327 1 1188 . 1 1 100 100 VAL HG11 H 1 0.923 0.030 . 1 . . . . 100 VAL HG1 . 10327 1 1189 . 1 1 100 100 VAL HG12 H 1 0.923 0.030 . 1 . . . . 100 VAL HG1 . 10327 1 1190 . 1 1 100 100 VAL HG13 H 1 0.923 0.030 . 1 . . . . 100 VAL HG1 . 10327 1 1191 . 1 1 100 100 VAL HG21 H 1 0.845 0.030 . 1 . . . . 100 VAL HG2 . 10327 1 1192 . 1 1 100 100 VAL HG22 H 1 0.845 0.030 . 1 . . . . 100 VAL HG2 . 10327 1 1193 . 1 1 100 100 VAL HG23 H 1 0.845 0.030 . 1 . . . . 100 VAL HG2 . 10327 1 1194 . 1 1 100 100 VAL C C 13 175.979 0.300 . 1 . . . . 100 VAL C . 10327 1 1195 . 1 1 100 100 VAL CA C 13 59.270 0.300 . 1 . . . . 100 VAL CA . 10327 1 1196 . 1 1 100 100 VAL CB C 13 32.210 0.300 . 1 . . . . 100 VAL CB . 10327 1 1197 . 1 1 100 100 VAL CG1 C 13 21.369 0.300 . 2 . . . . 100 VAL CG1 . 10327 1 1198 . 1 1 100 100 VAL CG2 C 13 17.590 0.300 . 2 . . . . 100 VAL CG2 . 10327 1 1199 . 1 1 100 100 VAL N N 15 114.754 0.300 . 1 . . . . 100 VAL N . 10327 1 1200 . 1 1 101 101 GLN H H 1 7.480 0.030 . 1 . . . . 101 GLN H . 10327 1 1201 . 1 1 101 101 GLN HA H 1 4.082 0.030 . 1 . . . . 101 GLN HA . 10327 1 1202 . 1 1 101 101 GLN HB2 H 1 2.301 0.030 . 2 . . . . 101 GLN HB2 . 10327 1 1203 . 1 1 101 101 GLN HB3 H 1 2.165 0.030 . 2 . . . . 101 GLN HB3 . 10327 1 1204 . 1 1 101 101 GLN HE21 H 1 6.875 0.030 . 2 . . . . 101 GLN HE21 . 10327 1 1205 . 1 1 101 101 GLN HE22 H 1 7.646 0.030 . 2 . . . . 101 GLN HE22 . 10327 1 1206 . 1 1 101 101 GLN HG2 H 1 2.362 0.030 . 1 . . . . 101 GLN HG2 . 10327 1 1207 . 1 1 101 101 GLN HG3 H 1 2.362 0.030 . 1 . . . . 101 GLN HG3 . 10327 1 1208 . 1 1 101 101 GLN C C 13 176.807 0.300 . 1 . . . . 101 GLN C . 10327 1 1209 . 1 1 101 101 GLN CA C 13 58.263 0.300 . 1 . . . . 101 GLN CA . 10327 1 1210 . 1 1 101 101 GLN CB C 13 28.305 0.300 . 1 . . . . 101 GLN CB . 10327 1 1211 . 1 1 101 101 GLN CG C 13 34.274 0.300 . 1 . . . . 101 GLN CG . 10327 1 1212 . 1 1 101 101 GLN N N 15 120.218 0.300 . 1 . . . . 101 GLN N . 10327 1 1213 . 1 1 101 101 GLN NE2 N 15 110.891 0.300 . 1 . . . . 101 GLN NE2 . 10327 1 1214 . 1 1 102 102 GLY H H 1 8.680 0.030 . 1 . . . . 102 GLY H . 10327 1 1215 . 1 1 102 102 GLY HA2 H 1 4.242 0.030 . 2 . . . . 102 GLY HA2 . 10327 1 1216 . 1 1 102 102 GLY HA3 H 1 3.559 0.030 . 2 . . . . 102 GLY HA3 . 10327 1 1217 . 1 1 102 102 GLY C C 13 172.828 0.300 . 1 . . . . 102 GLY C . 10327 1 1218 . 1 1 102 102 GLY CA C 13 44.799 0.300 . 1 . . . . 102 GLY CA . 10327 1 1219 . 1 1 102 102 GLY N N 15 114.363 0.300 . 1 . . . . 102 GLY N . 10327 1 1220 . 1 1 103 103 SER H H 1 8.063 0.030 . 1 . . . . 103 SER H . 10327 1 1221 . 1 1 103 103 SER HA H 1 5.036 0.030 . 1 . . . . 103 SER HA . 10327 1 1222 . 1 1 103 103 SER HB2 H 1 3.584 0.030 . 2 . . . . 103 SER HB2 . 10327 1 1223 . 1 1 103 103 SER HB3 H 1 4.490 0.030 . 2 . . . . 103 SER HB3 . 10327 1 1224 . 1 1 103 103 SER C C 13 173.292 0.300 . 1 . . . . 103 SER C . 10327 1 1225 . 1 1 103 103 SER CA C 13 54.008 0.300 . 1 . . . . 103 SER CA . 10327 1 1226 . 1 1 103 103 SER CB C 13 63.654 0.300 . 1 . . . . 103 SER CB . 10327 1 1227 . 1 1 103 103 SER N N 15 112.886 0.300 . 1 . . . . 103 SER N . 10327 1 1228 . 1 1 104 104 PRO HA H 1 5.770 0.030 . 1 . . . . 104 PRO HA . 10327 1 1229 . 1 1 104 104 PRO HB2 H 1 1.805 0.030 . 1 . . . . 104 PRO HB2 . 10327 1 1230 . 1 1 104 104 PRO HB3 H 1 1.805 0.030 . 1 . . . . 104 PRO HB3 . 10327 1 1231 . 1 1 104 104 PRO HD2 H 1 3.160 0.030 . 2 . . . . 104 PRO HD2 . 10327 1 1232 . 1 1 104 104 PRO HD3 H 1 1.938 0.030 . 2 . . . . 104 PRO HD3 . 10327 1 1233 . 1 1 104 104 PRO HG2 H 1 1.550 0.030 . 2 . . . . 104 PRO HG2 . 10327 1 1234 . 1 1 104 104 PRO HG3 H 1 1.293 0.030 . 2 . . . . 104 PRO HG3 . 10327 1 1235 . 1 1 104 104 PRO C C 13 176.564 0.300 . 1 . . . . 104 PRO C . 10327 1 1236 . 1 1 104 104 PRO CA C 13 62.876 0.300 . 1 . . . . 104 PRO CA . 10327 1 1237 . 1 1 104 104 PRO CB C 13 35.681 0.300 . 1 . . . . 104 PRO CB . 10327 1 1238 . 1 1 104 104 PRO CD C 13 49.631 0.300 . 1 . . . . 104 PRO CD . 10327 1 1239 . 1 1 104 104 PRO CG C 13 24.284 0.300 . 1 . . . . 104 PRO CG . 10327 1 1240 . 1 1 105 105 PHE H H 1 8.917 0.030 . 1 . . . . 105 PHE H . 10327 1 1241 . 1 1 105 105 PHE HA H 1 5.214 0.030 . 1 . . . . 105 PHE HA . 10327 1 1242 . 1 1 105 105 PHE HB2 H 1 3.471 0.030 . 2 . . . . 105 PHE HB2 . 10327 1 1243 . 1 1 105 105 PHE HB3 H 1 3.081 0.030 . 2 . . . . 105 PHE HB3 . 10327 1 1244 . 1 1 105 105 PHE HD1 H 1 6.978 0.030 . 1 . . . . 105 PHE HD1 . 10327 1 1245 . 1 1 105 105 PHE HD2 H 1 6.978 0.030 . 1 . . . . 105 PHE HD2 . 10327 1 1246 . 1 1 105 105 PHE HE1 H 1 6.755 0.030 . 1 . . . . 105 PHE HE1 . 10327 1 1247 . 1 1 105 105 PHE HE2 H 1 6.755 0.030 . 1 . . . . 105 PHE HE2 . 10327 1 1248 . 1 1 105 105 PHE HZ H 1 6.250 0.030 . 1 . . . . 105 PHE HZ . 10327 1 1249 . 1 1 105 105 PHE C C 13 173.021 0.300 . 1 . . . . 105 PHE C . 10327 1 1250 . 1 1 105 105 PHE CA C 13 55.867 0.300 . 1 . . . . 105 PHE CA . 10327 1 1251 . 1 1 105 105 PHE CB C 13 41.035 0.300 . 1 . . . . 105 PHE CB . 10327 1 1252 . 1 1 105 105 PHE CD1 C 13 132.233 0.300 . 1 . . . . 105 PHE CD1 . 10327 1 1253 . 1 1 105 105 PHE CD2 C 13 132.233 0.300 . 1 . . . . 105 PHE CD2 . 10327 1 1254 . 1 1 105 105 PHE CE1 C 13 131.001 0.300 . 1 . . . . 105 PHE CE1 . 10327 1 1255 . 1 1 105 105 PHE CE2 C 13 131.001 0.300 . 1 . . . . 105 PHE CE2 . 10327 1 1256 . 1 1 105 105 PHE CZ C 13 129.108 0.300 . 1 . . . . 105 PHE CZ . 10327 1 1257 . 1 1 105 105 PHE N N 15 116.363 0.300 . 1 . . . . 105 PHE N . 10327 1 1258 . 1 1 106 106 THR H H 1 8.697 0.030 . 1 . . . . 106 THR H . 10327 1 1259 . 1 1 106 106 THR HA H 1 5.186 0.030 . 1 . . . . 106 THR HA . 10327 1 1260 . 1 1 106 106 THR HB H 1 4.038 0.030 . 1 . . . . 106 THR HB . 10327 1 1261 . 1 1 106 106 THR HG21 H 1 1.196 0.030 . 1 . . . . 106 THR HG2 . 10327 1 1262 . 1 1 106 106 THR HG22 H 1 1.196 0.030 . 1 . . . . 106 THR HG2 . 10327 1 1263 . 1 1 106 106 THR HG23 H 1 1.196 0.030 . 1 . . . . 106 THR HG2 . 10327 1 1264 . 1 1 106 106 THR C C 13 173.901 0.300 . 1 . . . . 106 THR C . 10327 1 1265 . 1 1 106 106 THR CA C 13 61.548 0.300 . 1 . . . . 106 THR CA . 10327 1 1266 . 1 1 106 106 THR CB C 13 70.960 0.300 . 1 . . . . 106 THR CB . 10327 1 1267 . 1 1 106 106 THR CG2 C 13 22.278 0.300 . 1 . . . . 106 THR CG2 . 10327 1 1268 . 1 1 106 106 THR N N 15 114.964 0.300 . 1 . . . . 106 THR N . 10327 1 1269 . 1 1 107 107 VAL H H 1 9.173 0.030 . 1 . . . . 107 VAL H . 10327 1 1270 . 1 1 107 107 VAL HA H 1 4.694 0.030 . 1 . . . . 107 VAL HA . 10327 1 1271 . 1 1 107 107 VAL HB H 1 1.763 0.030 . 1 . . . . 107 VAL HB . 10327 1 1272 . 1 1 107 107 VAL HG11 H 1 0.798 0.030 . 1 . . . . 107 VAL HG1 . 10327 1 1273 . 1 1 107 107 VAL HG12 H 1 0.798 0.030 . 1 . . . . 107 VAL HG1 . 10327 1 1274 . 1 1 107 107 VAL HG13 H 1 0.798 0.030 . 1 . . . . 107 VAL HG1 . 10327 1 1275 . 1 1 107 107 VAL HG21 H 1 0.985 0.030 . 1 . . . . 107 VAL HG2 . 10327 1 1276 . 1 1 107 107 VAL HG22 H 1 0.985 0.030 . 1 . . . . 107 VAL HG2 . 10327 1 1277 . 1 1 107 107 VAL HG23 H 1 0.985 0.030 . 1 . . . . 107 VAL HG2 . 10327 1 1278 . 1 1 107 107 VAL C C 13 174.702 0.300 . 1 . . . . 107 VAL C . 10327 1 1279 . 1 1 107 107 VAL CA C 13 60.150 0.300 . 1 . . . . 107 VAL CA . 10327 1 1280 . 1 1 107 107 VAL CB C 13 36.310 0.300 . 1 . . . . 107 VAL CB . 10327 1 1281 . 1 1 107 107 VAL CG1 C 13 20.316 0.300 . 2 . . . . 107 VAL CG1 . 10327 1 1282 . 1 1 107 107 VAL CG2 C 13 22.187 0.300 . 2 . . . . 107 VAL CG2 . 10327 1 1283 . 1 1 107 107 VAL N N 15 125.035 0.300 . 1 . . . . 107 VAL N . 10327 1 1284 . 1 1 108 108 THR H H 1 8.286 0.030 . 1 . . . . 108 THR H . 10327 1 1285 . 1 1 108 108 THR HA H 1 4.731 0.030 . 1 . . . . 108 THR HA . 10327 1 1286 . 1 1 108 108 THR HB H 1 4.131 0.030 . 1 . . . . 108 THR HB . 10327 1 1287 . 1 1 108 108 THR HG21 H 1 1.148 0.030 . 1 . . . . 108 THR HG2 . 10327 1 1288 . 1 1 108 108 THR HG22 H 1 1.148 0.030 . 1 . . . . 108 THR HG2 . 10327 1 1289 . 1 1 108 108 THR HG23 H 1 1.148 0.030 . 1 . . . . 108 THR HG2 . 10327 1 1290 . 1 1 108 108 THR C C 13 173.882 0.300 . 1 . . . . 108 THR C . 10327 1 1291 . 1 1 108 108 THR CA C 13 62.719 0.300 . 1 . . . . 108 THR CA . 10327 1 1292 . 1 1 108 108 THR CB C 13 69.312 0.300 . 1 . . . . 108 THR CB . 10327 1 1293 . 1 1 108 108 THR CG2 C 13 21.200 0.300 . 1 . . . . 108 THR CG2 . 10327 1 1294 . 1 1 108 108 THR N N 15 123.057 0.300 . 1 . . . . 108 THR N . 10327 1 1295 . 1 1 109 109 VAL H H 1 9.656 0.030 . 1 . . . . 109 VAL H . 10327 1 1296 . 1 1 109 109 VAL HA H 1 4.303 0.030 . 1 . . . . 109 VAL HA . 10327 1 1297 . 1 1 109 109 VAL HB H 1 2.551 0.030 . 1 . . . . 109 VAL HB . 10327 1 1298 . 1 1 109 109 VAL HG11 H 1 0.654 0.030 . 1 . . . . 109 VAL HG1 . 10327 1 1299 . 1 1 109 109 VAL HG12 H 1 0.654 0.030 . 1 . . . . 109 VAL HG1 . 10327 1 1300 . 1 1 109 109 VAL HG13 H 1 0.654 0.030 . 1 . . . . 109 VAL HG1 . 10327 1 1301 . 1 1 109 109 VAL HG21 H 1 0.726 0.030 . 1 . . . . 109 VAL HG2 . 10327 1 1302 . 1 1 109 109 VAL HG22 H 1 0.726 0.030 . 1 . . . . 109 VAL HG2 . 10327 1 1303 . 1 1 109 109 VAL HG23 H 1 0.726 0.030 . 1 . . . . 109 VAL HG2 . 10327 1 1304 . 1 1 109 109 VAL C C 13 176.241 0.300 . 1 . . . . 109 VAL C . 10327 1 1305 . 1 1 109 109 VAL CA C 13 61.318 0.300 . 1 . . . . 109 VAL CA . 10327 1 1306 . 1 1 109 109 VAL CB C 13 31.331 0.300 . 1 . . . . 109 VAL CB . 10327 1 1307 . 1 1 109 109 VAL CG1 C 13 21.365 0.300 . 2 . . . . 109 VAL CG1 . 10327 1 1308 . 1 1 109 109 VAL CG2 C 13 22.572 0.300 . 2 . . . . 109 VAL CG2 . 10327 1 1309 . 1 1 109 109 VAL N N 15 130.099 0.300 . 1 . . . . 109 VAL N . 10327 1 1310 . 1 1 110 110 ARG H H 1 8.665 0.030 . 1 . . . . 110 ARG H . 10327 1 1311 . 1 1 110 110 ARG HA H 1 4.669 0.030 . 1 . . . . 110 ARG HA . 10327 1 1312 . 1 1 110 110 ARG HB2 H 1 1.910 0.030 . 2 . . . . 110 ARG HB2 . 10327 1 1313 . 1 1 110 110 ARG HB3 H 1 2.013 0.030 . 2 . . . . 110 ARG HB3 . 10327 1 1314 . 1 1 110 110 ARG HD2 H 1 3.235 0.030 . 1 . . . . 110 ARG HD2 . 10327 1 1315 . 1 1 110 110 ARG HD3 H 1 3.235 0.030 . 1 . . . . 110 ARG HD3 . 10327 1 1316 . 1 1 110 110 ARG HG2 H 1 1.699 0.030 . 2 . . . . 110 ARG HG2 . 10327 1 1317 . 1 1 110 110 ARG HG3 H 1 1.906 0.030 . 2 . . . . 110 ARG HG3 . 10327 1 1318 . 1 1 110 110 ARG C C 13 175.529 0.300 . 1 . . . . 110 ARG C . 10327 1 1319 . 1 1 110 110 ARG CA C 13 55.178 0.300 . 1 . . . . 110 ARG CA . 10327 1 1320 . 1 1 110 110 ARG CB C 13 32.090 0.300 . 1 . . . . 110 ARG CB . 10327 1 1321 . 1 1 110 110 ARG CD C 13 43.473 0.300 . 1 . . . . 110 ARG CD . 10327 1 1322 . 1 1 110 110 ARG CG C 13 27.097 0.300 . 1 . . . . 110 ARG CG . 10327 1 1323 . 1 1 110 110 ARG N N 15 128.616 0.300 . 1 . . . . 110 ARG N . 10327 1 1324 . 1 1 111 111 ARG H H 1 8.647 0.030 . 1 . . . . 111 ARG H . 10327 1 1325 . 1 1 111 111 ARG HA H 1 4.350 0.030 . 1 . . . . 111 ARG HA . 10327 1 1326 . 1 1 111 111 ARG HB2 H 1 1.823 0.030 . 1 . . . . 111 ARG HB2 . 10327 1 1327 . 1 1 111 111 ARG HB3 H 1 1.823 0.030 . 1 . . . . 111 ARG HB3 . 10327 1 1328 . 1 1 111 111 ARG HD2 H 1 3.233 0.030 . 1 . . . . 111 ARG HD2 . 10327 1 1329 . 1 1 111 111 ARG HD3 H 1 3.233 0.030 . 1 . . . . 111 ARG HD3 . 10327 1 1330 . 1 1 111 111 ARG HG2 H 1 1.708 0.030 . 2 . . . . 111 ARG HG2 . 10327 1 1331 . 1 1 111 111 ARG HG3 H 1 1.658 0.030 . 2 . . . . 111 ARG HG3 . 10327 1 1332 . 1 1 111 111 ARG C C 13 176.272 0.300 . 1 . . . . 111 ARG C . 10327 1 1333 . 1 1 111 111 ARG CA C 13 56.529 0.300 . 1 . . . . 111 ARG CA . 10327 1 1334 . 1 1 111 111 ARG CB C 13 31.309 0.300 . 1 . . . . 111 ARG CB . 10327 1 1335 . 1 1 111 111 ARG CD C 13 43.494 0.300 . 1 . . . . 111 ARG CD . 10327 1 1336 . 1 1 111 111 ARG CG C 13 27.549 0.300 . 1 . . . . 111 ARG CG . 10327 1 1337 . 1 1 111 111 ARG N N 15 120.931 0.300 . 1 . . . . 111 ARG N . 10327 1 1338 . 1 1 112 112 LYS H H 1 9.267 0.030 . 1 . . . . 112 LYS H . 10327 1 1339 . 1 1 112 112 LYS HA H 1 4.145 0.030 . 1 . . . . 112 LYS HA . 10327 1 1340 . 1 1 112 112 LYS HB2 H 1 1.695 0.030 . 2 . . . . 112 LYS HB2 . 10327 1 1341 . 1 1 112 112 LYS HB3 H 1 1.751 0.030 . 2 . . . . 112 LYS HB3 . 10327 1 1342 . 1 1 112 112 LYS HD2 H 1 1.747 0.030 . 1 . . . . 112 LYS HD2 . 10327 1 1343 . 1 1 112 112 LYS HD3 H 1 1.747 0.030 . 1 . . . . 112 LYS HD3 . 10327 1 1344 . 1 1 112 112 LYS HE2 H 1 2.969 0.030 . 1 . . . . 112 LYS HE2 . 10327 1 1345 . 1 1 112 112 LYS HE3 H 1 2.969 0.030 . 1 . . . . 112 LYS HE3 . 10327 1 1346 . 1 1 112 112 LYS HG2 H 1 1.313 0.030 . 1 . . . . 112 LYS HG2 . 10327 1 1347 . 1 1 112 112 LYS HG3 H 1 1.313 0.030 . 1 . . . . 112 LYS HG3 . 10327 1 1348 . 1 1 112 112 LYS C C 13 175.187 0.300 . 1 . . . . 112 LYS C . 10327 1 1349 . 1 1 112 112 LYS CA C 13 57.285 0.300 . 1 . . . . 112 LYS CA . 10327 1 1350 . 1 1 112 112 LYS CB C 13 33.228 0.300 . 1 . . . . 112 LYS CB . 10327 1 1351 . 1 1 112 112 LYS CD C 13 29.604 0.300 . 1 . . . . 112 LYS CD . 10327 1 1352 . 1 1 112 112 LYS CE C 13 42.051 0.300 . 1 . . . . 112 LYS CE . 10327 1 1353 . 1 1 112 112 LYS CG C 13 24.420 0.300 . 1 . . . . 112 LYS CG . 10327 1 1354 . 1 1 112 112 LYS N N 15 123.947 0.300 . 1 . . . . 112 LYS N . 10327 1 1355 . 1 1 113 113 HIS H H 1 7.951 0.030 . 1 . . . . 113 HIS H . 10327 1 1356 . 1 1 113 113 HIS HA H 1 4.384 0.030 . 1 . . . . 113 HIS HA . 10327 1 1357 . 1 1 113 113 HIS HB2 H 1 3.105 0.030 . 2 . . . . 113 HIS HB2 . 10327 1 1358 . 1 1 113 113 HIS HB3 H 1 2.990 0.030 . 2 . . . . 113 HIS HB3 . 10327 1 1359 . 1 1 113 113 HIS HD2 H 1 6.992 0.030 . 1 . . . . 113 HIS HD2 . 10327 1 1360 . 1 1 113 113 HIS HE1 H 1 7.886 0.030 . 1 . . . . 113 HIS HE1 . 10327 1 1361 . 1 1 113 113 HIS C C 13 179.928 0.300 . 1 . . . . 113 HIS C . 10327 1 1362 . 1 1 113 113 HIS CA C 13 57.844 0.300 . 1 . . . . 113 HIS CA . 10327 1 1363 . 1 1 113 113 HIS CB C 13 31.307 0.300 . 1 . . . . 113 HIS CB . 10327 1 1364 . 1 1 113 113 HIS CD2 C 13 120.572 0.300 . 1 . . . . 113 HIS CD2 . 10327 1 1365 . 1 1 113 113 HIS CE1 C 13 137.768 0.300 . 1 . . . . 113 HIS CE1 . 10327 1 1366 . 1 1 113 113 HIS N N 15 126.098 0.300 . 1 . . . . 113 HIS N . 10327 1 stop_ save_