data_11132 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11132 _Entry.Title ; Solution structure of the HMG box like domain from human hypothetical protein FLJ14904 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 . . . 11132 2 T. Kigawa . . . 11132 3 M. Sato . . . 11132 4 S. Koshiba . . . 11132 5 M. Inoue . . . 11132 6 Y. Kamatari . . . 11132 7 S. Yokoyama . . . 11132 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11132 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11132 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 11132 '15N chemical shifts' 80 11132 '1H chemical shifts' 592 11132 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 . . 2011-04-01 2010-03-31 original author . 11132 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CTO 'BMRB Entry Tracking System' 11132 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11132 _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 HMG box like domain from human hypothetical protein FLJ14904 ; _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 . . . 11132 1 2 T. Kigawa . . . 11132 1 3 M. Sato . . . 11132 1 4 S. Koshiba . . . 11132 1 5 M. Inoue . . . 11132 1 6 Y. Kamatari . . . 11132 1 7 S. Yokoyama . . . 11132 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11132 _Assembly.ID 1 _Assembly.Name 'novel protein' _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 'HMG box like domain' 1 $entity_1 A . yes native no no . . . 11132 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2cto . . . . . . 11132 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11132 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HMG box like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMPNRKASRNAYYF FVQEKIPELRRRGLPVARVA DAIPYCSSDWALLREEEKEK YAEMAREWRAAQGKDPGPSE KQKPVFTSGPSSG ; _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 93 _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 2CTO . "Solution Structure Of The Hmg Box Like Domain From Human Hypothetical Protein Flj14904" . . . . . 100.00 93 100.00 100.00 1.95e-59 . . . . 11132 1 2 no DBJ BAB55385 . "unnamed protein product [Homo sapiens]" . . . . . 86.02 434 100.00 100.00 6.79e-48 . . . . 11132 1 3 no DBJ BAE01036 . "unnamed protein product [Macaca fascicularis]" . . . . . 86.02 434 97.50 98.75 1.81e-46 . . . . 11132 1 4 no DBJ BAJ20777 . "maelstrom homolog [synthetic construct]" . . . . . 86.02 434 100.00 100.00 6.94e-48 . . . . 11132 1 5 no GB AAH28595 . "Maelstrom homolog (Drosophila) [Homo sapiens]" . . . . . 86.02 434 100.00 100.00 6.79e-48 . . . . 11132 1 6 no GB AAY82463 . "maelstrom [Homo sapiens]" . . . . . 86.02 434 100.00 100.00 6.79e-48 . . . . 11132 1 7 no GB ADQ32386 . "maelstrom homolog (Drosophila) [synthetic construct]" . . . . . 86.02 434 100.00 100.00 6.79e-48 . . . . 11132 1 8 no GB AIC52639 . "MAEL, partial [synthetic construct]" . . . . . 86.02 434 100.00 100.00 6.79e-48 . . . . 11132 1 9 no GB EAW90780 . "maelstrom homolog (Drosophila), isoform CRA_a [Homo sapiens]" . . . . . 86.02 423 100.00 100.00 7.40e-48 . . . . 11132 1 10 no REF NP_001247890 . "protein maelstrom homolog [Macaca mulatta]" . . . . . 86.02 434 97.50 98.75 1.81e-46 . . . . 11132 1 11 no REF NP_116247 . "protein maelstrom homolog isoform 1 [Homo sapiens]" . . . . . 86.02 434 100.00 100.00 6.79e-48 . . . . 11132 1 12 no REF XP_002809887 . "PREDICTED: protein maelstrom homolog [Pongo abelii]" . . . . . 86.02 434 97.50 98.75 2.61e-46 . . . . 11132 1 13 no REF XP_003785786 . "PREDICTED: protein maelstrom homolog isoform X1 [Otolemur garnettii]" . . . . . 83.87 434 97.44 98.72 2.05e-44 . . . . 11132 1 14 no REF XP_003893548 . "PREDICTED: protein maelstrom homolog isoform X1 [Papio anubis]" . . . . . 86.02 434 97.50 98.75 1.85e-46 . . . . 11132 1 15 no SP Q4R786 . "RecName: Full=Protein maelstrom homolog" . . . . . 86.02 434 97.50 98.75 1.81e-46 . . . . 11132 1 16 no SP Q96JY0 . "RecName: Full=Protein maelstrom homolog" . . . . . 86.02 434 100.00 100.00 6.79e-48 . . . . 11132 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HMG box like domain' . 11132 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 . 11132 1 2 . SER . 11132 1 3 . SER . 11132 1 4 . GLY . 11132 1 5 . SER . 11132 1 6 . SER . 11132 1 7 . GLY . 11132 1 8 . MET . 11132 1 9 . PRO . 11132 1 10 . ASN . 11132 1 11 . ARG . 11132 1 12 . LYS . 11132 1 13 . ALA . 11132 1 14 . SER . 11132 1 15 . ARG . 11132 1 16 . ASN . 11132 1 17 . ALA . 11132 1 18 . TYR . 11132 1 19 . TYR . 11132 1 20 . PHE . 11132 1 21 . PHE . 11132 1 22 . VAL . 11132 1 23 . GLN . 11132 1 24 . GLU . 11132 1 25 . LYS . 11132 1 26 . ILE . 11132 1 27 . PRO . 11132 1 28 . GLU . 11132 1 29 . LEU . 11132 1 30 . ARG . 11132 1 31 . ARG . 11132 1 32 . ARG . 11132 1 33 . GLY . 11132 1 34 . LEU . 11132 1 35 . PRO . 11132 1 36 . VAL . 11132 1 37 . ALA . 11132 1 38 . ARG . 11132 1 39 . VAL . 11132 1 40 . ALA . 11132 1 41 . ASP . 11132 1 42 . ALA . 11132 1 43 . ILE . 11132 1 44 . PRO . 11132 1 45 . TYR . 11132 1 46 . CYS . 11132 1 47 . SER . 11132 1 48 . SER . 11132 1 49 . ASP . 11132 1 50 . TRP . 11132 1 51 . ALA . 11132 1 52 . LEU . 11132 1 53 . LEU . 11132 1 54 . ARG . 11132 1 55 . GLU . 11132 1 56 . GLU . 11132 1 57 . GLU . 11132 1 58 . LYS . 11132 1 59 . GLU . 11132 1 60 . LYS . 11132 1 61 . TYR . 11132 1 62 . ALA . 11132 1 63 . GLU . 11132 1 64 . MET . 11132 1 65 . ALA . 11132 1 66 . ARG . 11132 1 67 . GLU . 11132 1 68 . TRP . 11132 1 69 . ARG . 11132 1 70 . ALA . 11132 1 71 . ALA . 11132 1 72 . GLN . 11132 1 73 . GLY . 11132 1 74 . LYS . 11132 1 75 . ASP . 11132 1 76 . PRO . 11132 1 77 . GLY . 11132 1 78 . PRO . 11132 1 79 . SER . 11132 1 80 . GLU . 11132 1 81 . LYS . 11132 1 82 . GLN . 11132 1 83 . LYS . 11132 1 84 . PRO . 11132 1 85 . VAL . 11132 1 86 . PHE . 11132 1 87 . THR . 11132 1 88 . SER . 11132 1 89 . GLY . 11132 1 90 . PRO . 11132 1 91 . SER . 11132 1 92 . SER . 11132 1 93 . GLY . 11132 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 11132 1 . SER 2 2 11132 1 . SER 3 3 11132 1 . GLY 4 4 11132 1 . SER 5 5 11132 1 . SER 6 6 11132 1 . GLY 7 7 11132 1 . MET 8 8 11132 1 . PRO 9 9 11132 1 . ASN 10 10 11132 1 . ARG 11 11 11132 1 . LYS 12 12 11132 1 . ALA 13 13 11132 1 . SER 14 14 11132 1 . ARG 15 15 11132 1 . ASN 16 16 11132 1 . ALA 17 17 11132 1 . TYR 18 18 11132 1 . TYR 19 19 11132 1 . PHE 20 20 11132 1 . PHE 21 21 11132 1 . VAL 22 22 11132 1 . GLN 23 23 11132 1 . GLU 24 24 11132 1 . LYS 25 25 11132 1 . ILE 26 26 11132 1 . PRO 27 27 11132 1 . GLU 28 28 11132 1 . LEU 29 29 11132 1 . ARG 30 30 11132 1 . ARG 31 31 11132 1 . ARG 32 32 11132 1 . GLY 33 33 11132 1 . LEU 34 34 11132 1 . PRO 35 35 11132 1 . VAL 36 36 11132 1 . ALA 37 37 11132 1 . ARG 38 38 11132 1 . VAL 39 39 11132 1 . ALA 40 40 11132 1 . ASP 41 41 11132 1 . ALA 42 42 11132 1 . ILE 43 43 11132 1 . PRO 44 44 11132 1 . TYR 45 45 11132 1 . CYS 46 46 11132 1 . SER 47 47 11132 1 . SER 48 48 11132 1 . ASP 49 49 11132 1 . TRP 50 50 11132 1 . ALA 51 51 11132 1 . LEU 52 52 11132 1 . LEU 53 53 11132 1 . ARG 54 54 11132 1 . GLU 55 55 11132 1 . GLU 56 56 11132 1 . GLU 57 57 11132 1 . LYS 58 58 11132 1 . GLU 59 59 11132 1 . LYS 60 60 11132 1 . TYR 61 61 11132 1 . ALA 62 62 11132 1 . GLU 63 63 11132 1 . MET 64 64 11132 1 . ALA 65 65 11132 1 . ARG 66 66 11132 1 . GLU 67 67 11132 1 . TRP 68 68 11132 1 . ARG 69 69 11132 1 . ALA 70 70 11132 1 . ALA 71 71 11132 1 . GLN 72 72 11132 1 . GLY 73 73 11132 1 . LYS 74 74 11132 1 . ASP 75 75 11132 1 . PRO 76 76 11132 1 . GLY 77 77 11132 1 . PRO 78 78 11132 1 . SER 79 79 11132 1 . GLU 80 80 11132 1 . LYS 81 81 11132 1 . GLN 82 82 11132 1 . LYS 83 83 11132 1 . PRO 84 84 11132 1 . VAL 85 85 11132 1 . PHE 86 86 11132 1 . THR 87 87 11132 1 . SER 88 88 11132 1 . GLY 89 89 11132 1 . PRO 90 90 11132 1 . SER 91 91 11132 1 . SER 92 92 11132 1 . GLY 93 93 11132 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 11132 _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 . . . . . . . . . . . . . . . . . . . . . 11132 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 11132 _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' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050125-12 . . . . . . 11132 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11132 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.06mM HMG box like domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG box like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.06 . . mM . . . . 11132 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11132 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11132 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11132 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11132 1 6 H2O . . . . . . solvent 90 . . % . . . . 11132 1 7 D2O . . . . . . solvent 10 . . % . . . . 11132 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 11132 _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 11132 1 pH 7.0 0.05 pH 11132 1 pressure 1 0.001 atm 11132 1 temperature 296 0.1 K 11132 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11132 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11132 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11132 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11132 _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.' . . 11132 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11132 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11132 _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.' . . 11132 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11132 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11132 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11132 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11132 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11132 _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.' . . 11132 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11132 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 11132 _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 11132 _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 . . . 11132 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 11132 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11132 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11132 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 11132 _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 . . . . . . . . . 11132 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11132 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11132 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 11132 _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 15N-separated NOESY' 1 $sample_1 isotropic 11132 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11132 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11132 1 2 $NMRPipe . . 11132 1 3 $NMRview . . 11132 1 4 $Kujira . . 11132 1 5 $CYANA . . 11132 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 3.769 0.030 . 1 . . . . 1 GLY HA2 . 11132 1 2 . 1 1 1 1 GLY HA3 H 1 3.769 0.030 . 1 . . . . 1 GLY HA3 . 11132 1 3 . 1 1 1 1 GLY CA C 13 41.527 0.300 . 1 . . . . 1 GLY CA . 11132 1 4 . 1 1 7 7 GLY HA2 H 1 3.873 0.030 . 1 . . . . 7 GLY HA2 . 11132 1 5 . 1 1 7 7 GLY HA3 H 1 3.873 0.030 . 1 . . . . 7 GLY HA3 . 11132 1 6 . 1 1 7 7 GLY C C 13 171.480 0.300 . 1 . . . . 7 GLY C . 11132 1 7 . 1 1 7 7 GLY CA C 13 42.842 0.300 . 1 . . . . 7 GLY CA . 11132 1 8 . 1 1 8 8 MET H H 1 8.081 0.030 . 1 . . . . 8 MET H . 11132 1 9 . 1 1 8 8 MET HA H 1 4.700 0.030 . 1 . . . . 8 MET HA . 11132 1 10 . 1 1 8 8 MET HB2 H 1 1.978 0.030 . 2 . . . . 8 MET HB2 . 11132 1 11 . 1 1 8 8 MET HB3 H 1 1.882 0.030 . 2 . . . . 8 MET HB3 . 11132 1 12 . 1 1 8 8 MET HE1 H 1 2.026 0.030 . 1 . . . . 8 MET HE . 11132 1 13 . 1 1 8 8 MET HE2 H 1 2.026 0.030 . 1 . . . . 8 MET HE . 11132 1 14 . 1 1 8 8 MET HE3 H 1 2.026 0.030 . 1 . . . . 8 MET HE . 11132 1 15 . 1 1 8 8 MET HG2 H 1 2.467 0.030 . 2 . . . . 8 MET HG2 . 11132 1 16 . 1 1 8 8 MET HG3 H 1 2.551 0.030 . 2 . . . . 8 MET HG3 . 11132 1 17 . 1 1 8 8 MET C C 13 172.083 0.300 . 1 . . . . 8 MET C . 11132 1 18 . 1 1 8 8 MET CA C 13 51.148 0.300 . 1 . . . . 8 MET CA . 11132 1 19 . 1 1 8 8 MET CB C 13 29.939 0.300 . 1 . . . . 8 MET CB . 11132 1 20 . 1 1 8 8 MET CE C 13 14.807 0.300 . 1 . . . . 8 MET CE . 11132 1 21 . 1 1 8 8 MET CG C 13 29.758 0.300 . 1 . . . . 8 MET CG . 11132 1 22 . 1 1 8 8 MET N N 15 120.459 0.300 . 1 . . . . 8 MET N . 11132 1 23 . 1 1 9 9 PRO HA H 1 4.339 0.030 . 1 . . . . 9 PRO HA . 11132 1 24 . 1 1 9 9 PRO HB2 H 1 2.201 0.030 . 2 . . . . 9 PRO HB2 . 11132 1 25 . 1 1 9 9 PRO HB3 H 1 1.795 0.030 . 2 . . . . 9 PRO HB3 . 11132 1 26 . 1 1 9 9 PRO HD2 H 1 3.599 0.030 . 2 . . . . 9 PRO HD2 . 11132 1 27 . 1 1 9 9 PRO HD3 H 1 3.744 0.030 . 2 . . . . 9 PRO HD3 . 11132 1 28 . 1 1 9 9 PRO HG2 H 1 1.914 0.030 . 1 . . . . 9 PRO HG2 . 11132 1 29 . 1 1 9 9 PRO HG3 H 1 1.914 0.030 . 1 . . . . 9 PRO HG3 . 11132 1 30 . 1 1 9 9 PRO CA C 13 60.959 0.300 . 1 . . . . 9 PRO CA . 11132 1 31 . 1 1 9 9 PRO CB C 13 29.715 0.300 . 1 . . . . 9 PRO CB . 11132 1 32 . 1 1 9 9 PRO CD C 13 48.337 0.300 . 1 . . . . 9 PRO CD . 11132 1 33 . 1 1 9 9 PRO CG C 13 25.107 0.300 . 1 . . . . 9 PRO CG . 11132 1 34 . 1 1 10 10 ASN H H 1 8.435 0.030 . 1 . . . . 10 ASN H . 11132 1 35 . 1 1 10 10 ASN HA H 1 4.577 0.030 . 1 . . . . 10 ASN HA . 11132 1 36 . 1 1 10 10 ASN HB2 H 1 2.757 0.030 . 2 . . . . 10 ASN HB2 . 11132 1 37 . 1 1 10 10 ASN HB3 H 1 2.711 0.030 . 2 . . . . 10 ASN HB3 . 11132 1 38 . 1 1 10 10 ASN HD21 H 1 7.543 0.030 . 2 . . . . 10 ASN HD21 . 11132 1 39 . 1 1 10 10 ASN HD22 H 1 6.849 0.030 . 2 . . . . 10 ASN HD22 . 11132 1 40 . 1 1 10 10 ASN CA C 13 50.956 0.300 . 1 . . . . 10 ASN CA . 11132 1 41 . 1 1 10 10 ASN CB C 13 36.374 0.300 . 1 . . . . 10 ASN CB . 11132 1 42 . 1 1 10 10 ASN N N 15 118.341 0.300 . 1 . . . . 10 ASN N . 11132 1 43 . 1 1 10 10 ASN ND2 N 15 112.501 0.300 . 1 . . . . 10 ASN ND2 . 11132 1 44 . 1 1 11 11 ARG HA H 1 4.249 0.030 . 1 . . . . 11 ARG HA . 11132 1 45 . 1 1 11 11 ARG HB2 H 1 1.690 0.030 . 2 . . . . 11 ARG HB2 . 11132 1 46 . 1 1 11 11 ARG HB3 H 1 1.800 0.030 . 2 . . . . 11 ARG HB3 . 11132 1 47 . 1 1 11 11 ARG HD2 H 1 3.120 0.030 . 1 . . . . 11 ARG HD2 . 11132 1 48 . 1 1 11 11 ARG HD3 H 1 3.120 0.030 . 1 . . . . 11 ARG HD3 . 11132 1 49 . 1 1 11 11 ARG HG2 H 1 1.548 0.030 . 1 . . . . 11 ARG HG2 . 11132 1 50 . 1 1 11 11 ARG HG3 H 1 1.548 0.030 . 1 . . . . 11 ARG HG3 . 11132 1 51 . 1 1 11 11 ARG CA C 13 54.013 0.300 . 1 . . . . 11 ARG CA . 11132 1 52 . 1 1 11 11 ARG CB C 13 28.393 0.300 . 1 . . . . 11 ARG CB . 11132 1 53 . 1 1 11 11 ARG CD C 13 41.062 0.300 . 1 . . . . 11 ARG CD . 11132 1 54 . 1 1 11 11 ARG CG C 13 24.872 0.300 . 1 . . . . 11 ARG CG . 11132 1 55 . 1 1 12 12 LYS HA H 1 4.194 0.030 . 1 . . . . 12 LYS HA . 11132 1 56 . 1 1 12 12 LYS HB2 H 1 1.713 0.030 . 1 . . . . 12 LYS HB2 . 11132 1 57 . 1 1 12 12 LYS HB3 H 1 1.713 0.030 . 1 . . . . 12 LYS HB3 . 11132 1 58 . 1 1 12 12 LYS HD2 H 1 1.591 0.030 . 1 . . . . 12 LYS HD2 . 11132 1 59 . 1 1 12 12 LYS HD3 H 1 1.591 0.030 . 1 . . . . 12 LYS HD3 . 11132 1 60 . 1 1 12 12 LYS HE2 H 1 2.905 0.030 . 1 . . . . 12 LYS HE2 . 11132 1 61 . 1 1 12 12 LYS HE3 H 1 2.905 0.030 . 1 . . . . 12 LYS HE3 . 11132 1 62 . 1 1 12 12 LYS HG2 H 1 1.326 0.030 . 1 . . . . 12 LYS HG2 . 11132 1 63 . 1 1 12 12 LYS HG3 H 1 1.326 0.030 . 1 . . . . 12 LYS HG3 . 11132 1 64 . 1 1 12 12 LYS C C 13 174.013 0.300 . 1 . . . . 12 LYS C . 11132 1 65 . 1 1 12 12 LYS CA C 13 54.251 0.300 . 1 . . . . 12 LYS CA . 11132 1 66 . 1 1 12 12 LYS CB C 13 30.711 0.300 . 1 . . . . 12 LYS CB . 11132 1 67 . 1 1 12 12 LYS CD C 13 26.838 0.300 . 1 . . . . 12 LYS CD . 11132 1 68 . 1 1 12 12 LYS CE C 13 39.860 0.300 . 1 . . . . 12 LYS CE . 11132 1 69 . 1 1 12 12 LYS CG C 13 22.717 0.300 . 1 . . . . 12 LYS CG . 11132 1 70 . 1 1 13 13 ALA H H 1 8.194 0.030 . 1 . . . . 13 ALA H . 11132 1 71 . 1 1 13 13 ALA HA H 1 4.279 0.030 . 1 . . . . 13 ALA HA . 11132 1 72 . 1 1 13 13 ALA HB1 H 1 1.322 0.030 . 1 . . . . 13 ALA HB . 11132 1 73 . 1 1 13 13 ALA HB2 H 1 1.322 0.030 . 1 . . . . 13 ALA HB . 11132 1 74 . 1 1 13 13 ALA HB3 H 1 1.322 0.030 . 1 . . . . 13 ALA HB . 11132 1 75 . 1 1 13 13 ALA C C 13 175.095 0.300 . 1 . . . . 13 ALA C . 11132 1 76 . 1 1 13 13 ALA CA C 13 50.020 0.300 . 1 . . . . 13 ALA CA . 11132 1 77 . 1 1 13 13 ALA CB C 13 17.032 0.300 . 1 . . . . 13 ALA CB . 11132 1 78 . 1 1 13 13 ALA N N 15 124.534 0.300 . 1 . . . . 13 ALA N . 11132 1 79 . 1 1 14 14 SER H H 1 8.193 0.030 . 1 . . . . 14 SER H . 11132 1 80 . 1 1 14 14 SER HA H 1 4.363 0.030 . 1 . . . . 14 SER HA . 11132 1 81 . 1 1 14 14 SER HB2 H 1 3.759 0.030 . 1 . . . . 14 SER HB2 . 11132 1 82 . 1 1 14 14 SER HB3 H 1 3.759 0.030 . 1 . . . . 14 SER HB3 . 11132 1 83 . 1 1 14 14 SER C C 13 171.928 0.300 . 1 . . . . 14 SER C . 11132 1 84 . 1 1 14 14 SER CA C 13 55.944 0.300 . 1 . . . . 14 SER CA . 11132 1 85 . 1 1 14 14 SER CB C 13 61.770 0.300 . 1 . . . . 14 SER CB . 11132 1 86 . 1 1 14 14 SER N N 15 115.426 0.300 . 1 . . . . 14 SER N . 11132 1 87 . 1 1 15 15 ARG H H 1 7.640 0.030 . 1 . . . . 15 ARG H . 11132 1 88 . 1 1 15 15 ARG HA H 1 3.755 0.030 . 1 . . . . 15 ARG HA . 11132 1 89 . 1 1 15 15 ARG HB2 H 1 0.792 0.030 . 2 . . . . 15 ARG HB2 . 11132 1 90 . 1 1 15 15 ARG HB3 H 1 0.959 0.030 . 2 . . . . 15 ARG HB3 . 11132 1 91 . 1 1 15 15 ARG HD2 H 1 1.290 0.030 . 2 . . . . 15 ARG HD2 . 11132 1 92 . 1 1 15 15 ARG HD3 H 1 0.902 0.030 . 2 . . . . 15 ARG HD3 . 11132 1 93 . 1 1 15 15 ARG HG2 H 1 -0.040 0.030 . 2 . . . . 15 ARG HG2 . 11132 1 94 . 1 1 15 15 ARG HG3 H 1 0.403 0.030 . 2 . . . . 15 ARG HG3 . 11132 1 95 . 1 1 15 15 ARG C C 13 172.101 0.300 . 1 . . . . 15 ARG C . 11132 1 96 . 1 1 15 15 ARG CA C 13 53.244 0.300 . 1 . . . . 15 ARG CA . 11132 1 97 . 1 1 15 15 ARG CB C 13 28.657 0.300 . 1 . . . . 15 ARG CB . 11132 1 98 . 1 1 15 15 ARG CD C 13 40.172 0.300 . 1 . . . . 15 ARG CD . 11132 1 99 . 1 1 15 15 ARG CG C 13 23.781 0.300 . 1 . . . . 15 ARG CG . 11132 1 100 . 1 1 15 15 ARG N N 15 122.498 0.300 . 1 . . . . 15 ARG N . 11132 1 101 . 1 1 16 16 ASN H H 1 7.380 0.030 . 1 . . . . 16 ASN H . 11132 1 102 . 1 1 16 16 ASN HA H 1 4.720 0.030 . 1 . . . . 16 ASN HA . 11132 1 103 . 1 1 16 16 ASN HB2 H 1 3.300 0.030 . 2 . . . . 16 ASN HB2 . 11132 1 104 . 1 1 16 16 ASN HB3 H 1 2.924 0.030 . 2 . . . . 16 ASN HB3 . 11132 1 105 . 1 1 16 16 ASN HD21 H 1 6.765 0.030 . 2 . . . . 16 ASN HD21 . 11132 1 106 . 1 1 16 16 ASN HD22 H 1 7.496 0.030 . 2 . . . . 16 ASN HD22 . 11132 1 107 . 1 1 16 16 ASN C C 13 172.228 0.300 . 1 . . . . 16 ASN C . 11132 1 108 . 1 1 16 16 ASN CA C 13 48.662 0.300 . 1 . . . . 16 ASN CA . 11132 1 109 . 1 1 16 16 ASN CB C 13 37.090 0.300 . 1 . . . . 16 ASN CB . 11132 1 110 . 1 1 16 16 ASN N N 15 119.449 0.300 . 1 . . . . 16 ASN N . 11132 1 111 . 1 1 16 16 ASN ND2 N 15 110.448 0.300 . 1 . . . . 16 ASN ND2 . 11132 1 112 . 1 1 17 17 ALA H H 1 8.420 0.030 . 1 . . . . 17 ALA H . 11132 1 113 . 1 1 17 17 ALA HA H 1 4.108 0.030 . 1 . . . . 17 ALA HA . 11132 1 114 . 1 1 17 17 ALA HB1 H 1 1.629 0.030 . 1 . . . . 17 ALA HB . 11132 1 115 . 1 1 17 17 ALA HB2 H 1 1.629 0.030 . 1 . . . . 17 ALA HB . 11132 1 116 . 1 1 17 17 ALA HB3 H 1 1.629 0.030 . 1 . . . . 17 ALA HB . 11132 1 117 . 1 1 17 17 ALA C C 13 175.928 0.300 . 1 . . . . 17 ALA C . 11132 1 118 . 1 1 17 17 ALA CA C 13 54.022 0.300 . 1 . . . . 17 ALA CA . 11132 1 119 . 1 1 17 17 ALA CB C 13 16.571 0.300 . 1 . . . . 17 ALA CB . 11132 1 120 . 1 1 17 17 ALA N N 15 120.797 0.300 . 1 . . . . 17 ALA N . 11132 1 121 . 1 1 18 18 TYR H H 1 7.723 0.030 . 1 . . . . 18 TYR H . 11132 1 122 . 1 1 18 18 TYR HA H 1 2.824 0.030 . 1 . . . . 18 TYR HA . 11132 1 123 . 1 1 18 18 TYR HB2 H 1 2.073 0.030 . 2 . . . . 18 TYR HB2 . 11132 1 124 . 1 1 18 18 TYR HB3 H 1 2.313 0.030 . 2 . . . . 18 TYR HB3 . 11132 1 125 . 1 1 18 18 TYR HD1 H 1 5.992 0.030 . 1 . . . . 18 TYR HD1 . 11132 1 126 . 1 1 18 18 TYR HD2 H 1 5.992 0.030 . 1 . . . . 18 TYR HD2 . 11132 1 127 . 1 1 18 18 TYR HE1 H 1 6.386 0.030 . 1 . . . . 18 TYR HE1 . 11132 1 128 . 1 1 18 18 TYR HE2 H 1 6.386 0.030 . 1 . . . . 18 TYR HE2 . 11132 1 129 . 1 1 18 18 TYR C C 13 173.480 0.300 . 1 . . . . 18 TYR C . 11132 1 130 . 1 1 18 18 TYR CA C 13 57.108 0.300 . 1 . . . . 18 TYR CA . 11132 1 131 . 1 1 18 18 TYR CB C 13 35.244 0.300 . 1 . . . . 18 TYR CB . 11132 1 132 . 1 1 18 18 TYR CD1 C 13 130.116 0.300 . 1 . . . . 18 TYR CD1 . 11132 1 133 . 1 1 18 18 TYR CD2 C 13 130.116 0.300 . 1 . . . . 18 TYR CD2 . 11132 1 134 . 1 1 18 18 TYR CE1 C 13 115.241 0.300 . 1 . . . . 18 TYR CE1 . 11132 1 135 . 1 1 18 18 TYR CE2 C 13 115.241 0.300 . 1 . . . . 18 TYR CE2 . 11132 1 136 . 1 1 18 18 TYR N N 15 115.609 0.300 . 1 . . . . 18 TYR N . 11132 1 137 . 1 1 19 19 TYR H H 1 7.567 0.030 . 1 . . . . 19 TYR H . 11132 1 138 . 1 1 19 19 TYR HA H 1 3.212 0.030 . 1 . . . . 19 TYR HA . 11132 1 139 . 1 1 19 19 TYR HB2 H 1 3.034 0.030 . 2 . . . . 19 TYR HB2 . 11132 1 140 . 1 1 19 19 TYR HB3 H 1 2.856 0.030 . 2 . . . . 19 TYR HB3 . 11132 1 141 . 1 1 19 19 TYR HD1 H 1 5.921 0.030 . 1 . . . . 19 TYR HD1 . 11132 1 142 . 1 1 19 19 TYR HD2 H 1 5.921 0.030 . 1 . . . . 19 TYR HD2 . 11132 1 143 . 1 1 19 19 TYR HE1 H 1 6.162 0.030 . 1 . . . . 19 TYR HE1 . 11132 1 144 . 1 1 19 19 TYR HE2 H 1 6.162 0.030 . 1 . . . . 19 TYR HE2 . 11132 1 145 . 1 1 19 19 TYR C C 13 174.317 0.300 . 1 . . . . 19 TYR C . 11132 1 146 . 1 1 19 19 TYR CA C 13 59.546 0.300 . 1 . . . . 19 TYR CA . 11132 1 147 . 1 1 19 19 TYR CB C 13 35.712 0.300 . 1 . . . . 19 TYR CB . 11132 1 148 . 1 1 19 19 TYR CD1 C 13 130.654 0.300 . 1 . . . . 19 TYR CD1 . 11132 1 149 . 1 1 19 19 TYR CD2 C 13 130.654 0.300 . 1 . . . . 19 TYR CD2 . 11132 1 150 . 1 1 19 19 TYR CE1 C 13 114.837 0.300 . 1 . . . . 19 TYR CE1 . 11132 1 151 . 1 1 19 19 TYR CE2 C 13 114.837 0.300 . 1 . . . . 19 TYR CE2 . 11132 1 152 . 1 1 19 19 TYR N N 15 117.722 0.300 . 1 . . . . 19 TYR N . 11132 1 153 . 1 1 20 20 PHE H H 1 7.322 0.030 . 1 . . . . 20 PHE H . 11132 1 154 . 1 1 20 20 PHE HA H 1 3.822 0.030 . 1 . . . . 20 PHE HA . 11132 1 155 . 1 1 20 20 PHE HB2 H 1 3.226 0.030 . 2 . . . . 20 PHE HB2 . 11132 1 156 . 1 1 20 20 PHE HB3 H 1 3.670 0.030 . 2 . . . . 20 PHE HB3 . 11132 1 157 . 1 1 20 20 PHE HD1 H 1 7.493 0.030 . 1 . . . . 20 PHE HD1 . 11132 1 158 . 1 1 20 20 PHE HD2 H 1 7.493 0.030 . 1 . . . . 20 PHE HD2 . 11132 1 159 . 1 1 20 20 PHE HE1 H 1 7.002 0.030 . 1 . . . . 20 PHE HE1 . 11132 1 160 . 1 1 20 20 PHE HE2 H 1 7.002 0.030 . 1 . . . . 20 PHE HE2 . 11132 1 161 . 1 1 20 20 PHE HZ H 1 6.583 0.030 . 1 . . . . 20 PHE HZ . 11132 1 162 . 1 1 20 20 PHE C C 13 175.471 0.300 . 1 . . . . 20 PHE C . 11132 1 163 . 1 1 20 20 PHE CA C 13 60.422 0.300 . 1 . . . . 20 PHE CA . 11132 1 164 . 1 1 20 20 PHE CB C 13 37.403 0.300 . 1 . . . . 20 PHE CB . 11132 1 165 . 1 1 20 20 PHE CD1 C 13 129.818 0.300 . 1 . . . . 20 PHE CD1 . 11132 1 166 . 1 1 20 20 PHE CD2 C 13 129.818 0.300 . 1 . . . . 20 PHE CD2 . 11132 1 167 . 1 1 20 20 PHE CE1 C 13 128.707 0.300 . 1 . . . . 20 PHE CE1 . 11132 1 168 . 1 1 20 20 PHE CE2 C 13 128.707 0.300 . 1 . . . . 20 PHE CE2 . 11132 1 169 . 1 1 20 20 PHE CZ C 13 126.692 0.300 . 1 . . . . 20 PHE CZ . 11132 1 170 . 1 1 20 20 PHE N N 15 114.669 0.300 . 1 . . . . 20 PHE N . 11132 1 171 . 1 1 21 21 PHE H H 1 7.571 0.030 . 1 . . . . 21 PHE H . 11132 1 172 . 1 1 21 21 PHE HA H 1 3.657 0.030 . 1 . . . . 21 PHE HA . 11132 1 173 . 1 1 21 21 PHE HB2 H 1 2.081 0.030 . 2 . . . . 21 PHE HB2 . 11132 1 174 . 1 1 21 21 PHE HB3 H 1 2.571 0.030 . 2 . . . . 21 PHE HB3 . 11132 1 175 . 1 1 21 21 PHE HD1 H 1 6.668 0.030 . 1 . . . . 21 PHE HD1 . 11132 1 176 . 1 1 21 21 PHE HD2 H 1 6.668 0.030 . 1 . . . . 21 PHE HD2 . 11132 1 177 . 1 1 21 21 PHE HE1 H 1 7.489 0.030 . 1 . . . . 21 PHE HE1 . 11132 1 178 . 1 1 21 21 PHE HE2 H 1 7.489 0.030 . 1 . . . . 21 PHE HE2 . 11132 1 179 . 1 1 21 21 PHE HZ H 1 7.172 0.030 . 1 . . . . 21 PHE HZ . 11132 1 180 . 1 1 21 21 PHE C C 13 173.621 0.300 . 1 . . . . 21 PHE C . 11132 1 181 . 1 1 21 21 PHE CA C 13 58.606 0.300 . 1 . . . . 21 PHE CA . 11132 1 182 . 1 1 21 21 PHE CB C 13 37.068 0.300 . 1 . . . . 21 PHE CB . 11132 1 183 . 1 1 21 21 PHE CD1 C 13 130.263 0.300 . 1 . . . . 21 PHE CD1 . 11132 1 184 . 1 1 21 21 PHE CD2 C 13 130.263 0.300 . 1 . . . . 21 PHE CD2 . 11132 1 185 . 1 1 21 21 PHE CE1 C 13 129.009 0.300 . 1 . . . . 21 PHE CE1 . 11132 1 186 . 1 1 21 21 PHE CE2 C 13 129.009 0.300 . 1 . . . . 21 PHE CE2 . 11132 1 187 . 1 1 21 21 PHE CZ C 13 126.727 0.300 . 1 . . . . 21 PHE CZ . 11132 1 188 . 1 1 21 21 PHE N N 15 123.075 0.300 . 1 . . . . 21 PHE N . 11132 1 189 . 1 1 22 22 VAL H H 1 7.934 0.030 . 1 . . . . 22 VAL H . 11132 1 190 . 1 1 22 22 VAL HA H 1 2.965 0.030 . 1 . . . . 22 VAL HA . 11132 1 191 . 1 1 22 22 VAL HB H 1 1.392 0.030 . 1 . . . . 22 VAL HB . 11132 1 192 . 1 1 22 22 VAL HG11 H 1 0.459 0.030 . 1 . . . . 22 VAL HG1 . 11132 1 193 . 1 1 22 22 VAL HG12 H 1 0.459 0.030 . 1 . . . . 22 VAL HG1 . 11132 1 194 . 1 1 22 22 VAL HG13 H 1 0.459 0.030 . 1 . . . . 22 VAL HG1 . 11132 1 195 . 1 1 22 22 VAL HG21 H 1 0.048 0.030 . 1 . . . . 22 VAL HG2 . 11132 1 196 . 1 1 22 22 VAL HG22 H 1 0.048 0.030 . 1 . . . . 22 VAL HG2 . 11132 1 197 . 1 1 22 22 VAL HG23 H 1 0.048 0.030 . 1 . . . . 22 VAL HG2 . 11132 1 198 . 1 1 22 22 VAL C C 13 175.725 0.300 . 1 . . . . 22 VAL C . 11132 1 199 . 1 1 22 22 VAL CA C 13 63.507 0.300 . 1 . . . . 22 VAL CA . 11132 1 200 . 1 1 22 22 VAL CB C 13 27.830 0.300 . 1 . . . . 22 VAL CB . 11132 1 201 . 1 1 22 22 VAL CG1 C 13 21.914 0.300 . 2 . . . . 22 VAL CG1 . 11132 1 202 . 1 1 22 22 VAL CG2 C 13 20.499 0.300 . 2 . . . . 22 VAL CG2 . 11132 1 203 . 1 1 22 22 VAL N N 15 118.518 0.300 . 1 . . . . 22 VAL N . 11132 1 204 . 1 1 23 23 GLN H H 1 7.918 0.030 . 1 . . . . 23 GLN H . 11132 1 205 . 1 1 23 23 GLN HA H 1 3.385 0.030 . 1 . . . . 23 GLN HA . 11132 1 206 . 1 1 23 23 GLN HB2 H 1 1.944 0.030 . 2 . . . . 23 GLN HB2 . 11132 1 207 . 1 1 23 23 GLN HB3 H 1 1.581 0.030 . 2 . . . . 23 GLN HB3 . 11132 1 208 . 1 1 23 23 GLN HE21 H 1 7.575 0.030 . 2 . . . . 23 GLN HE21 . 11132 1 209 . 1 1 23 23 GLN HE22 H 1 6.721 0.030 . 2 . . . . 23 GLN HE22 . 11132 1 210 . 1 1 23 23 GLN HG2 H 1 2.077 0.030 . 2 . . . . 23 GLN HG2 . 11132 1 211 . 1 1 23 23 GLN HG3 H 1 1.893 0.030 . 2 . . . . 23 GLN HG3 . 11132 1 212 . 1 1 23 23 GLN C C 13 176.127 0.300 . 1 . . . . 23 GLN C . 11132 1 213 . 1 1 23 23 GLN CA C 13 57.028 0.300 . 1 . . . . 23 GLN CA . 11132 1 214 . 1 1 23 23 GLN CB C 13 27.077 0.300 . 1 . . . . 23 GLN CB . 11132 1 215 . 1 1 23 23 GLN CG C 13 32.295 0.300 . 1 . . . . 23 GLN CG . 11132 1 216 . 1 1 23 23 GLN N N 15 116.004 0.300 . 1 . . . . 23 GLN N . 11132 1 217 . 1 1 23 23 GLN NE2 N 15 110.618 0.300 . 1 . . . . 23 GLN NE2 . 11132 1 218 . 1 1 24 24 GLU H H 1 7.364 0.030 . 1 . . . . 24 GLU H . 11132 1 219 . 1 1 24 24 GLU HA H 1 3.948 0.030 . 1 . . . . 24 GLU HA . 11132 1 220 . 1 1 24 24 GLU HB2 H 1 2.207 0.030 . 1 . . . . 24 GLU HB2 . 11132 1 221 . 1 1 24 24 GLU HB3 H 1 2.207 0.030 . 1 . . . . 24 GLU HB3 . 11132 1 222 . 1 1 24 24 GLU HG2 H 1 2.397 0.030 . 2 . . . . 24 GLU HG2 . 11132 1 223 . 1 1 24 24 GLU HG3 H 1 2.256 0.030 . 2 . . . . 24 GLU HG3 . 11132 1 224 . 1 1 24 24 GLU C C 13 175.451 0.300 . 1 . . . . 24 GLU C . 11132 1 225 . 1 1 24 24 GLU CA C 13 56.102 0.300 . 1 . . . . 24 GLU CA . 11132 1 226 . 1 1 24 24 GLU CB C 13 27.862 0.300 . 1 . . . . 24 GLU CB . 11132 1 227 . 1 1 24 24 GLU CG C 13 34.999 0.300 . 1 . . . . 24 GLU CG . 11132 1 228 . 1 1 24 24 GLU N N 15 117.428 0.300 . 1 . . . . 24 GLU N . 11132 1 229 . 1 1 25 25 LYS H H 1 7.408 0.030 . 1 . . . . 25 LYS H . 11132 1 230 . 1 1 25 25 LYS HA H 1 3.959 0.030 . 1 . . . . 25 LYS HA . 11132 1 231 . 1 1 25 25 LYS HB2 H 1 1.432 0.030 . 2 . . . . 25 LYS HB2 . 11132 1 232 . 1 1 25 25 LYS HB3 H 1 1.648 0.030 . 2 . . . . 25 LYS HB3 . 11132 1 233 . 1 1 25 25 LYS HD2 H 1 1.212 0.030 . 1 . . . . 25 LYS HD2 . 11132 1 234 . 1 1 25 25 LYS HD3 H 1 1.212 0.030 . 1 . . . . 25 LYS HD3 . 11132 1 235 . 1 1 25 25 LYS HE2 H 1 2.442 0.030 . 2 . . . . 25 LYS HE2 . 11132 1 236 . 1 1 25 25 LYS HE3 H 1 2.606 0.030 . 2 . . . . 25 LYS HE3 . 11132 1 237 . 1 1 25 25 LYS HG2 H 1 0.912 0.030 . 2 . . . . 25 LYS HG2 . 11132 1 238 . 1 1 25 25 LYS HG3 H 1 0.702 0.030 . 2 . . . . 25 LYS HG3 . 11132 1 239 . 1 1 25 25 LYS C C 13 174.983 0.300 . 1 . . . . 25 LYS C . 11132 1 240 . 1 1 25 25 LYS CA C 13 53.336 0.300 . 1 . . . . 25 LYS CA . 11132 1 241 . 1 1 25 25 LYS CB C 13 29.970 0.300 . 1 . . . . 25 LYS CB . 11132 1 242 . 1 1 25 25 LYS CD C 13 25.456 0.300 . 1 . . . . 25 LYS CD . 11132 1 243 . 1 1 25 25 LYS CE C 13 39.958 0.300 . 1 . . . . 25 LYS CE . 11132 1 244 . 1 1 25 25 LYS CG C 13 20.990 0.300 . 1 . . . . 25 LYS CG . 11132 1 245 . 1 1 25 25 LYS N N 15 117.209 0.300 . 1 . . . . 25 LYS N . 11132 1 246 . 1 1 26 26 ILE H H 1 7.218 0.030 . 1 . . . . 26 ILE H . 11132 1 247 . 1 1 26 26 ILE HA H 1 3.374 0.030 . 1 . . . . 26 ILE HA . 11132 1 248 . 1 1 26 26 ILE HB H 1 1.828 0.030 . 1 . . . . 26 ILE HB . 11132 1 249 . 1 1 26 26 ILE HD11 H 1 0.425 0.030 . 1 . . . . 26 ILE HD1 . 11132 1 250 . 1 1 26 26 ILE HD12 H 1 0.425 0.030 . 1 . . . . 26 ILE HD1 . 11132 1 251 . 1 1 26 26 ILE HD13 H 1 0.425 0.030 . 1 . . . . 26 ILE HD1 . 11132 1 252 . 1 1 26 26 ILE HG12 H 1 1.719 0.030 . 2 . . . . 26 ILE HG12 . 11132 1 253 . 1 1 26 26 ILE HG13 H 1 0.502 0.030 . 2 . . . . 26 ILE HG13 . 11132 1 254 . 1 1 26 26 ILE HG21 H 1 0.593 0.030 . 1 . . . . 26 ILE HG2 . 11132 1 255 . 1 1 26 26 ILE HG22 H 1 0.593 0.030 . 1 . . . . 26 ILE HG2 . 11132 1 256 . 1 1 26 26 ILE HG23 H 1 0.593 0.030 . 1 . . . . 26 ILE HG2 . 11132 1 257 . 1 1 26 26 ILE C C 13 171.743 0.300 . 1 . . . . 26 ILE C . 11132 1 258 . 1 1 26 26 ILE CA C 13 65.955 0.300 . 1 . . . . 26 ILE CA . 11132 1 259 . 1 1 26 26 ILE CB C 13 33.296 0.300 . 1 . . . . 26 ILE CB . 11132 1 260 . 1 1 26 26 ILE CD1 C 13 10.960 0.300 . 1 . . . . 26 ILE CD1 . 11132 1 261 . 1 1 26 26 ILE CG1 C 13 27.980 0.300 . 1 . . . . 26 ILE CG1 . 11132 1 262 . 1 1 26 26 ILE CG2 C 13 14.177 0.300 . 1 . . . . 26 ILE CG2 . 11132 1 263 . 1 1 26 26 ILE N N 15 119.041 0.300 . 1 . . . . 26 ILE N . 11132 1 264 . 1 1 27 27 PRO HA H 1 4.068 0.030 . 1 . . . . 27 PRO HA . 11132 1 265 . 1 1 27 27 PRO HB2 H 1 1.795 0.030 . 2 . . . . 27 PRO HB2 . 11132 1 266 . 1 1 27 27 PRO HB3 H 1 2.236 0.030 . 2 . . . . 27 PRO HB3 . 11132 1 267 . 1 1 27 27 PRO HD2 H 1 3.452 0.030 . 2 . . . . 27 PRO HD2 . 11132 1 268 . 1 1 27 27 PRO HD3 H 1 3.581 0.030 . 2 . . . . 27 PRO HD3 . 11132 1 269 . 1 1 27 27 PRO HG2 H 1 1.837 0.030 . 2 . . . . 27 PRO HG2 . 11132 1 270 . 1 1 27 27 PRO HG3 H 1 2.060 0.030 . 2 . . . . 27 PRO HG3 . 11132 1 271 . 1 1 27 27 PRO C C 13 177.172 0.300 . 1 . . . . 27 PRO C . 11132 1 272 . 1 1 27 27 PRO CA C 13 64.137 0.300 . 1 . . . . 27 PRO CA . 11132 1 273 . 1 1 27 27 PRO CB C 13 28.587 0.300 . 1 . . . . 27 PRO CB . 11132 1 274 . 1 1 27 27 PRO CD C 13 47.079 0.300 . 1 . . . . 27 PRO CD . 11132 1 275 . 1 1 27 27 PRO CG C 13 26.104 0.300 . 1 . . . . 27 PRO CG . 11132 1 276 . 1 1 28 28 GLU H H 1 7.380 0.030 . 1 . . . . 28 GLU H . 11132 1 277 . 1 1 28 28 GLU HA H 1 3.959 0.030 . 1 . . . . 28 GLU HA . 11132 1 278 . 1 1 28 28 GLU HB2 H 1 2.010 0.030 . 1 . . . . 28 GLU HB2 . 11132 1 279 . 1 1 28 28 GLU HB3 H 1 2.010 0.030 . 1 . . . . 28 GLU HB3 . 11132 1 280 . 1 1 28 28 GLU HG2 H 1 2.162 0.030 . 1 . . . . 28 GLU HG2 . 11132 1 281 . 1 1 28 28 GLU HG3 H 1 2.162 0.030 . 1 . . . . 28 GLU HG3 . 11132 1 282 . 1 1 28 28 GLU C C 13 176.308 0.300 . 1 . . . . 28 GLU C . 11132 1 283 . 1 1 28 28 GLU CA C 13 56.333 0.300 . 1 . . . . 28 GLU CA . 11132 1 284 . 1 1 28 28 GLU CB C 13 26.920 0.300 . 1 . . . . 28 GLU CB . 11132 1 285 . 1 1 28 28 GLU CG C 13 33.556 0.300 . 1 . . . . 28 GLU CG . 11132 1 286 . 1 1 28 28 GLU N N 15 118.219 0.300 . 1 . . . . 28 GLU N . 11132 1 287 . 1 1 29 29 LEU H H 1 7.984 0.030 . 1 . . . . 29 LEU H . 11132 1 288 . 1 1 29 29 LEU HA H 1 3.752 0.030 . 1 . . . . 29 LEU HA . 11132 1 289 . 1 1 29 29 LEU HB2 H 1 1.058 0.030 . 2 . . . . 29 LEU HB2 . 11132 1 290 . 1 1 29 29 LEU HB3 H 1 1.784 0.030 . 2 . . . . 29 LEU HB3 . 11132 1 291 . 1 1 29 29 LEU HD11 H 1 0.618 0.030 . 1 . . . . 29 LEU HD1 . 11132 1 292 . 1 1 29 29 LEU HD12 H 1 0.618 0.030 . 1 . . . . 29 LEU HD1 . 11132 1 293 . 1 1 29 29 LEU HD13 H 1 0.618 0.030 . 1 . . . . 29 LEU HD1 . 11132 1 294 . 1 1 29 29 LEU HD21 H 1 0.593 0.030 . 1 . . . . 29 LEU HD2 . 11132 1 295 . 1 1 29 29 LEU HD22 H 1 0.593 0.030 . 1 . . . . 29 LEU HD2 . 11132 1 296 . 1 1 29 29 LEU HD23 H 1 0.593 0.030 . 1 . . . . 29 LEU HD2 . 11132 1 297 . 1 1 29 29 LEU HG H 1 1.638 0.030 . 1 . . . . 29 LEU HG . 11132 1 298 . 1 1 29 29 LEU C C 13 177.162 0.300 . 1 . . . . 29 LEU C . 11132 1 299 . 1 1 29 29 LEU CA C 13 55.506 0.300 . 1 . . . . 29 LEU CA . 11132 1 300 . 1 1 29 29 LEU CB C 13 38.410 0.300 . 1 . . . . 29 LEU CB . 11132 1 301 . 1 1 29 29 LEU CD1 C 13 24.549 0.300 . 2 . . . . 29 LEU CD1 . 11132 1 302 . 1 1 29 29 LEU CD2 C 13 19.456 0.300 . 2 . . . . 29 LEU CD2 . 11132 1 303 . 1 1 29 29 LEU CG C 13 24.176 0.300 . 1 . . . . 29 LEU CG . 11132 1 304 . 1 1 29 29 LEU N N 15 119.851 0.300 . 1 . . . . 29 LEU N . 11132 1 305 . 1 1 30 30 ARG H H 1 8.352 0.030 . 1 . . . . 30 ARG H . 11132 1 306 . 1 1 30 30 ARG HA H 1 4.208 0.030 . 1 . . . . 30 ARG HA . 11132 1 307 . 1 1 30 30 ARG HB2 H 1 1.800 0.030 . 2 . . . . 30 ARG HB2 . 11132 1 308 . 1 1 30 30 ARG HB3 H 1 1.692 0.030 . 2 . . . . 30 ARG HB3 . 11132 1 309 . 1 1 30 30 ARG HD2 H 1 3.175 0.030 . 2 . . . . 30 ARG HD2 . 11132 1 310 . 1 1 30 30 ARG HD3 H 1 3.004 0.030 . 2 . . . . 30 ARG HD3 . 11132 1 311 . 1 1 30 30 ARG HG2 H 1 1.683 0.030 . 2 . . . . 30 ARG HG2 . 11132 1 312 . 1 1 30 30 ARG HG3 H 1 1.599 0.030 . 2 . . . . 30 ARG HG3 . 11132 1 313 . 1 1 30 30 ARG C C 13 179.199 0.300 . 1 . . . . 30 ARG C . 11132 1 314 . 1 1 30 30 ARG CA C 13 57.038 0.300 . 1 . . . . 30 ARG CA . 11132 1 315 . 1 1 30 30 ARG CB C 13 27.622 0.300 . 1 . . . . 30 ARG CB . 11132 1 316 . 1 1 30 30 ARG CD C 13 41.354 0.300 . 1 . . . . 30 ARG CD . 11132 1 317 . 1 1 30 30 ARG CG C 13 26.096 0.300 . 1 . . . . 30 ARG CG . 11132 1 318 . 1 1 30 30 ARG N N 15 117.862 0.300 . 1 . . . . 30 ARG N . 11132 1 319 . 1 1 31 31 ARG H H 1 7.861 0.030 . 1 . . . . 31 ARG H . 11132 1 320 . 1 1 31 31 ARG HA H 1 4.002 0.030 . 1 . . . . 31 ARG HA . 11132 1 321 . 1 1 31 31 ARG HB2 H 1 2.020 0.030 . 2 . . . . 31 ARG HB2 . 11132 1 322 . 1 1 31 31 ARG HB3 H 1 1.889 0.030 . 2 . . . . 31 ARG HB3 . 11132 1 323 . 1 1 31 31 ARG HD2 H 1 3.154 0.030 . 1 . . . . 31 ARG HD2 . 11132 1 324 . 1 1 31 31 ARG HD3 H 1 3.154 0.030 . 1 . . . . 31 ARG HD3 . 11132 1 325 . 1 1 31 31 ARG HG2 H 1 1.559 0.030 . 2 . . . . 31 ARG HG2 . 11132 1 326 . 1 1 31 31 ARG HG3 H 1 1.746 0.030 . 2 . . . . 31 ARG HG3 . 11132 1 327 . 1 1 31 31 ARG C C 13 175.831 0.300 . 1 . . . . 31 ARG C . 11132 1 328 . 1 1 31 31 ARG CA C 13 57.037 0.300 . 1 . . . . 31 ARG CA . 11132 1 329 . 1 1 31 31 ARG CB C 13 27.964 0.300 . 1 . . . . 31 ARG CB . 11132 1 330 . 1 1 31 31 ARG CD C 13 41.254 0.300 . 1 . . . . 31 ARG CD . 11132 1 331 . 1 1 31 31 ARG CG C 13 25.684 0.300 . 1 . . . . 31 ARG CG . 11132 1 332 . 1 1 31 31 ARG N N 15 121.690 0.300 . 1 . . . . 31 ARG N . 11132 1 333 . 1 1 32 32 ARG H H 1 7.436 0.030 . 1 . . . . 32 ARG H . 11132 1 334 . 1 1 32 32 ARG HA H 1 4.210 0.030 . 1 . . . . 32 ARG HA . 11132 1 335 . 1 1 32 32 ARG HB2 H 1 1.967 0.030 . 2 . . . . 32 ARG HB2 . 11132 1 336 . 1 1 32 32 ARG HB3 H 1 1.848 0.030 . 2 . . . . 32 ARG HB3 . 11132 1 337 . 1 1 32 32 ARG HD2 H 1 3.047 0.030 . 2 . . . . 32 ARG HD2 . 11132 1 338 . 1 1 32 32 ARG HD3 H 1 3.019 0.030 . 2 . . . . 32 ARG HD3 . 11132 1 339 . 1 1 32 32 ARG HG2 H 1 1.690 0.030 . 2 . . . . 32 ARG HG2 . 11132 1 340 . 1 1 32 32 ARG HG3 H 1 1.798 0.030 . 2 . . . . 32 ARG HG3 . 11132 1 341 . 1 1 32 32 ARG C C 13 173.922 0.300 . 1 . . . . 32 ARG C . 11132 1 342 . 1 1 32 32 ARG CA C 13 54.304 0.300 . 1 . . . . 32 ARG CA . 11132 1 343 . 1 1 32 32 ARG CB C 13 28.431 0.300 . 1 . . . . 32 ARG CB . 11132 1 344 . 1 1 32 32 ARG CD C 13 42.100 0.300 . 1 . . . . 32 ARG CD . 11132 1 345 . 1 1 32 32 ARG CG C 13 24.846 0.300 . 1 . . . . 32 ARG CG . 11132 1 346 . 1 1 32 32 ARG N N 15 116.556 0.300 . 1 . . . . 32 ARG N . 11132 1 347 . 1 1 33 33 GLY H H 1 7.746 0.030 . 1 . . . . 33 GLY H . 11132 1 348 . 1 1 33 33 GLY HA2 H 1 3.585 0.030 . 2 . . . . 33 GLY HA2 . 11132 1 349 . 1 1 33 33 GLY HA3 H 1 4.147 0.030 . 2 . . . . 33 GLY HA3 . 11132 1 350 . 1 1 33 33 GLY C C 13 172.055 0.300 . 1 . . . . 33 GLY C . 11132 1 351 . 1 1 33 33 GLY CA C 13 42.665 0.300 . 1 . . . . 33 GLY CA . 11132 1 352 . 1 1 33 33 GLY N N 15 106.158 0.300 . 1 . . . . 33 GLY N . 11132 1 353 . 1 1 34 34 LEU H H 1 7.474 0.030 . 1 . . . . 34 LEU H . 11132 1 354 . 1 1 34 34 LEU HA H 1 4.442 0.030 . 1 . . . . 34 LEU HA . 11132 1 355 . 1 1 34 34 LEU HB2 H 1 0.730 0.030 . 2 . . . . 34 LEU HB2 . 11132 1 356 . 1 1 34 34 LEU HB3 H 1 1.206 0.030 . 2 . . . . 34 LEU HB3 . 11132 1 357 . 1 1 34 34 LEU HD11 H 1 0.301 0.030 . 1 . . . . 34 LEU HD1 . 11132 1 358 . 1 1 34 34 LEU HD12 H 1 0.301 0.030 . 1 . . . . 34 LEU HD1 . 11132 1 359 . 1 1 34 34 LEU HD13 H 1 0.301 0.030 . 1 . . . . 34 LEU HD1 . 11132 1 360 . 1 1 34 34 LEU HD21 H 1 0.496 0.030 . 1 . . . . 34 LEU HD2 . 11132 1 361 . 1 1 34 34 LEU HD22 H 1 0.496 0.030 . 1 . . . . 34 LEU HD2 . 11132 1 362 . 1 1 34 34 LEU HD23 H 1 0.496 0.030 . 1 . . . . 34 LEU HD2 . 11132 1 363 . 1 1 34 34 LEU HG H 1 1.247 0.030 . 1 . . . . 34 LEU HG . 11132 1 364 . 1 1 34 34 LEU C C 13 173.686 0.300 . 1 . . . . 34 LEU C . 11132 1 365 . 1 1 34 34 LEU CA C 13 50.055 0.300 . 1 . . . . 34 LEU CA . 11132 1 366 . 1 1 34 34 LEU CB C 13 39.118 0.300 . 1 . . . . 34 LEU CB . 11132 1 367 . 1 1 34 34 LEU CD1 C 13 22.692 0.300 . 2 . . . . 34 LEU CD1 . 11132 1 368 . 1 1 34 34 LEU CD2 C 13 20.531 0.300 . 2 . . . . 34 LEU CD2 . 11132 1 369 . 1 1 34 34 LEU CG C 13 24.740 0.300 . 1 . . . . 34 LEU CG . 11132 1 370 . 1 1 34 34 LEU N N 15 121.887 0.300 . 1 . . . . 34 LEU N . 11132 1 371 . 1 1 35 35 PRO HA H 1 4.528 0.030 . 1 . . . . 35 PRO HA . 11132 1 372 . 1 1 35 35 PRO HB2 H 1 1.791 0.030 . 2 . . . . 35 PRO HB2 . 11132 1 373 . 1 1 35 35 PRO HB3 H 1 2.148 0.030 . 2 . . . . 35 PRO HB3 . 11132 1 374 . 1 1 35 35 PRO HD2 H 1 3.424 0.030 . 2 . . . . 35 PRO HD2 . 11132 1 375 . 1 1 35 35 PRO HD3 H 1 3.705 0.030 . 2 . . . . 35 PRO HD3 . 11132 1 376 . 1 1 35 35 PRO HG2 H 1 2.015 0.030 . 2 . . . . 35 PRO HG2 . 11132 1 377 . 1 1 35 35 PRO HG3 H 1 1.960 0.030 . 2 . . . . 35 PRO HG3 . 11132 1 378 . 1 1 35 35 PRO C C 13 173.302 0.300 . 1 . . . . 35 PRO C . 11132 1 379 . 1 1 35 35 PRO CA C 13 60.098 0.300 . 1 . . . . 35 PRO CA . 11132 1 380 . 1 1 35 35 PRO CB C 13 26.266 0.300 . 1 . . . . 35 PRO CB . 11132 1 381 . 1 1 35 35 PRO CD C 13 47.658 0.300 . 1 . . . . 35 PRO CD . 11132 1 382 . 1 1 35 35 PRO CG C 13 25.128 0.300 . 1 . . . . 35 PRO CG . 11132 1 383 . 1 1 36 36 VAL H H 1 7.760 0.030 . 1 . . . . 36 VAL H . 11132 1 384 . 1 1 36 36 VAL HA H 1 4.158 0.030 . 1 . . . . 36 VAL HA . 11132 1 385 . 1 1 36 36 VAL HB H 1 1.662 0.030 . 1 . . . . 36 VAL HB . 11132 1 386 . 1 1 36 36 VAL HG11 H 1 0.608 0.030 . 1 . . . . 36 VAL HG1 . 11132 1 387 . 1 1 36 36 VAL HG12 H 1 0.608 0.030 . 1 . . . . 36 VAL HG1 . 11132 1 388 . 1 1 36 36 VAL HG13 H 1 0.608 0.030 . 1 . . . . 36 VAL HG1 . 11132 1 389 . 1 1 36 36 VAL HG21 H 1 0.606 0.030 . 1 . . . . 36 VAL HG2 . 11132 1 390 . 1 1 36 36 VAL HG22 H 1 0.606 0.030 . 1 . . . . 36 VAL HG2 . 11132 1 391 . 1 1 36 36 VAL HG23 H 1 0.606 0.030 . 1 . . . . 36 VAL HG2 . 11132 1 392 . 1 1 36 36 VAL C C 13 172.094 0.300 . 1 . . . . 36 VAL C . 11132 1 393 . 1 1 36 36 VAL CA C 13 57.816 0.300 . 1 . . . . 36 VAL CA . 11132 1 394 . 1 1 36 36 VAL CB C 13 31.709 0.300 . 1 . . . . 36 VAL CB . 11132 1 395 . 1 1 36 36 VAL CG1 C 13 20.633 0.300 . 2 . . . . 36 VAL CG1 . 11132 1 396 . 1 1 36 36 VAL CG2 C 13 18.076 0.300 . 2 . . . . 36 VAL CG2 . 11132 1 397 . 1 1 36 36 VAL N N 15 118.382 0.300 . 1 . . . . 36 VAL N . 11132 1 398 . 1 1 37 37 ALA H H 1 9.140 0.030 . 1 . . . . 37 ALA H . 11132 1 399 . 1 1 37 37 ALA HA H 1 4.331 0.030 . 1 . . . . 37 ALA HA . 11132 1 400 . 1 1 37 37 ALA HB1 H 1 1.302 0.030 . 1 . . . . 37 ALA HB . 11132 1 401 . 1 1 37 37 ALA HB2 H 1 1.302 0.030 . 1 . . . . 37 ALA HB . 11132 1 402 . 1 1 37 37 ALA HB3 H 1 1.302 0.030 . 1 . . . . 37 ALA HB . 11132 1 403 . 1 1 37 37 ALA C C 13 174.331 0.300 . 1 . . . . 37 ALA C . 11132 1 404 . 1 1 37 37 ALA CA C 13 50.652 0.300 . 1 . . . . 37 ALA CA . 11132 1 405 . 1 1 37 37 ALA CB C 13 18.663 0.300 . 1 . . . . 37 ALA CB . 11132 1 406 . 1 1 37 37 ALA N N 15 126.379 0.300 . 1 . . . . 37 ALA N . 11132 1 407 . 1 1 38 38 ARG H H 1 7.949 0.030 . 1 . . . . 38 ARG H . 11132 1 408 . 1 1 38 38 ARG HA H 1 4.579 0.030 . 1 . . . . 38 ARG HA . 11132 1 409 . 1 1 38 38 ARG HB2 H 1 1.976 0.030 . 2 . . . . 38 ARG HB2 . 11132 1 410 . 1 1 38 38 ARG HB3 H 1 1.673 0.030 . 2 . . . . 38 ARG HB3 . 11132 1 411 . 1 1 38 38 ARG HD2 H 1 3.156 0.030 . 1 . . . . 38 ARG HD2 . 11132 1 412 . 1 1 38 38 ARG HD3 H 1 3.156 0.030 . 1 . . . . 38 ARG HD3 . 11132 1 413 . 1 1 38 38 ARG HG2 H 1 1.375 0.030 . 2 . . . . 38 ARG HG2 . 11132 1 414 . 1 1 38 38 ARG HG3 H 1 1.604 0.030 . 2 . . . . 38 ARG HG3 . 11132 1 415 . 1 1 38 38 ARG C C 13 174.180 0.300 . 1 . . . . 38 ARG C . 11132 1 416 . 1 1 38 38 ARG CA C 13 51.341 0.300 . 1 . . . . 38 ARG CA . 11132 1 417 . 1 1 38 38 ARG CB C 13 30.340 0.300 . 1 . . . . 38 ARG CB . 11132 1 418 . 1 1 38 38 ARG CD C 13 41.085 0.300 . 1 . . . . 38 ARG CD . 11132 1 419 . 1 1 38 38 ARG CG C 13 24.164 0.300 . 1 . . . . 38 ARG CG . 11132 1 420 . 1 1 38 38 ARG N N 15 115.445 0.300 . 1 . . . . 38 ARG N . 11132 1 421 . 1 1 39 39 VAL H H 1 8.463 0.030 . 1 . . . . 39 VAL H . 11132 1 422 . 1 1 39 39 VAL HA H 1 3.056 0.030 . 1 . . . . 39 VAL HA . 11132 1 423 . 1 1 39 39 VAL HB H 1 1.590 0.030 . 1 . . . . 39 VAL HB . 11132 1 424 . 1 1 39 39 VAL HG11 H 1 0.147 0.030 . 1 . . . . 39 VAL HG1 . 11132 1 425 . 1 1 39 39 VAL HG12 H 1 0.147 0.030 . 1 . . . . 39 VAL HG1 . 11132 1 426 . 1 1 39 39 VAL HG13 H 1 0.147 0.030 . 1 . . . . 39 VAL HG1 . 11132 1 427 . 1 1 39 39 VAL HG21 H 1 0.342 0.030 . 1 . . . . 39 VAL HG2 . 11132 1 428 . 1 1 39 39 VAL HG22 H 1 0.342 0.030 . 1 . . . . 39 VAL HG2 . 11132 1 429 . 1 1 39 39 VAL HG23 H 1 0.342 0.030 . 1 . . . . 39 VAL HG2 . 11132 1 430 . 1 1 39 39 VAL C C 13 175.517 0.300 . 1 . . . . 39 VAL C . 11132 1 431 . 1 1 39 39 VAL CA C 13 65.156 0.300 . 1 . . . . 39 VAL CA . 11132 1 432 . 1 1 39 39 VAL CB C 13 28.659 0.300 . 1 . . . . 39 VAL CB . 11132 1 433 . 1 1 39 39 VAL CG1 C 13 17.963 0.300 . 2 . . . . 39 VAL CG1 . 11132 1 434 . 1 1 39 39 VAL CG2 C 13 20.210 0.300 . 2 . . . . 39 VAL CG2 . 11132 1 435 . 1 1 39 39 VAL N N 15 122.750 0.300 . 1 . . . . 39 VAL N . 11132 1 436 . 1 1 40 40 ALA H H 1 8.441 0.030 . 1 . . . . 40 ALA H . 11132 1 437 . 1 1 40 40 ALA HA H 1 3.856 0.030 . 1 . . . . 40 ALA HA . 11132 1 438 . 1 1 40 40 ALA HB1 H 1 1.273 0.030 . 1 . . . . 40 ALA HB . 11132 1 439 . 1 1 40 40 ALA HB2 H 1 1.273 0.030 . 1 . . . . 40 ALA HB . 11132 1 440 . 1 1 40 40 ALA HB3 H 1 1.273 0.030 . 1 . . . . 40 ALA HB . 11132 1 441 . 1 1 40 40 ALA C C 13 176.983 0.300 . 1 . . . . 40 ALA C . 11132 1 442 . 1 1 40 40 ALA CA C 13 52.788 0.300 . 1 . . . . 40 ALA CA . 11132 1 443 . 1 1 40 40 ALA CB C 13 16.271 0.300 . 1 . . . . 40 ALA CB . 11132 1 444 . 1 1 40 40 ALA N N 15 117.451 0.300 . 1 . . . . 40 ALA N . 11132 1 445 . 1 1 41 41 ASP H H 1 7.050 0.030 . 1 . . . . 41 ASP H . 11132 1 446 . 1 1 41 41 ASP HA H 1 4.378 0.030 . 1 . . . . 41 ASP HA . 11132 1 447 . 1 1 41 41 ASP HB2 H 1 2.778 0.030 . 2 . . . . 41 ASP HB2 . 11132 1 448 . 1 1 41 41 ASP HB3 H 1 2.936 0.030 . 2 . . . . 41 ASP HB3 . 11132 1 449 . 1 1 41 41 ASP C C 13 174.125 0.300 . 1 . . . . 41 ASP C . 11132 1 450 . 1 1 41 41 ASP CA C 13 53.246 0.300 . 1 . . . . 41 ASP CA . 11132 1 451 . 1 1 41 41 ASP CB C 13 39.722 0.300 . 1 . . . . 41 ASP CB . 11132 1 452 . 1 1 41 41 ASP N N 15 112.484 0.300 . 1 . . . . 41 ASP N . 11132 1 453 . 1 1 42 42 ALA H H 1 7.483 0.030 . 1 . . . . 42 ALA H . 11132 1 454 . 1 1 42 42 ALA HA H 1 4.341 0.030 . 1 . . . . 42 ALA HA . 11132 1 455 . 1 1 42 42 ALA HB1 H 1 1.057 0.030 . 1 . . . . 42 ALA HB . 11132 1 456 . 1 1 42 42 ALA HB2 H 1 1.057 0.030 . 1 . . . . 42 ALA HB . 11132 1 457 . 1 1 42 42 ALA HB3 H 1 1.057 0.030 . 1 . . . . 42 ALA HB . 11132 1 458 . 1 1 42 42 ALA C C 13 175.349 0.300 . 1 . . . . 42 ALA C . 11132 1 459 . 1 1 42 42 ALA CA C 13 50.138 0.300 . 1 . . . . 42 ALA CA . 11132 1 460 . 1 1 42 42 ALA CB C 13 18.513 0.300 . 1 . . . . 42 ALA CB . 11132 1 461 . 1 1 42 42 ALA N N 15 118.267 0.300 . 1 . . . . 42 ALA N . 11132 1 462 . 1 1 43 43 ILE H H 1 7.317 0.030 . 1 . . . . 43 ILE H . 11132 1 463 . 1 1 43 43 ILE HA H 1 3.626 0.030 . 1 . . . . 43 ILE HA . 11132 1 464 . 1 1 43 43 ILE HB H 1 1.935 0.030 . 1 . . . . 43 ILE HB . 11132 1 465 . 1 1 43 43 ILE HD11 H 1 0.755 0.030 . 1 . . . . 43 ILE HD1 . 11132 1 466 . 1 1 43 43 ILE HD12 H 1 0.755 0.030 . 1 . . . . 43 ILE HD1 . 11132 1 467 . 1 1 43 43 ILE HD13 H 1 0.755 0.030 . 1 . . . . 43 ILE HD1 . 11132 1 468 . 1 1 43 43 ILE HG12 H 1 1.086 0.030 . 2 . . . . 43 ILE HG12 . 11132 1 469 . 1 1 43 43 ILE HG13 H 1 1.659 0.030 . 2 . . . . 43 ILE HG13 . 11132 1 470 . 1 1 43 43 ILE HG21 H 1 0.929 0.030 . 1 . . . . 43 ILE HG2 . 11132 1 471 . 1 1 43 43 ILE HG22 H 1 0.929 0.030 . 1 . . . . 43 ILE HG2 . 11132 1 472 . 1 1 43 43 ILE HG23 H 1 0.929 0.030 . 1 . . . . 43 ILE HG2 . 11132 1 473 . 1 1 43 43 ILE C C 13 172.982 0.300 . 1 . . . . 43 ILE C . 11132 1 474 . 1 1 43 43 ILE CA C 13 64.619 0.300 . 1 . . . . 43 ILE CA . 11132 1 475 . 1 1 43 43 ILE CB C 13 34.566 0.300 . 1 . . . . 43 ILE CB . 11132 1 476 . 1 1 43 43 ILE CD1 C 13 10.545 0.300 . 1 . . . . 43 ILE CD1 . 11132 1 477 . 1 1 43 43 ILE CG1 C 13 27.542 0.300 . 1 . . . . 43 ILE CG1 . 11132 1 478 . 1 1 43 43 ILE CG2 C 13 14.462 0.300 . 1 . . . . 43 ILE CG2 . 11132 1 479 . 1 1 43 43 ILE N N 15 119.932 0.300 . 1 . . . . 43 ILE N . 11132 1 480 . 1 1 44 44 PRO HA H 1 4.356 0.030 . 1 . . . . 44 PRO HA . 11132 1 481 . 1 1 44 44 PRO HB2 H 1 1.082 0.030 . 2 . . . . 44 PRO HB2 . 11132 1 482 . 1 1 44 44 PRO HB3 H 1 2.094 0.030 . 2 . . . . 44 PRO HB3 . 11132 1 483 . 1 1 44 44 PRO HD2 H 1 3.369 0.030 . 2 . . . . 44 PRO HD2 . 11132 1 484 . 1 1 44 44 PRO HD3 H 1 3.458 0.030 . 2 . . . . 44 PRO HD3 . 11132 1 485 . 1 1 44 44 PRO HG2 H 1 1.764 0.030 . 2 . . . . 44 PRO HG2 . 11132 1 486 . 1 1 44 44 PRO HG3 H 1 1.624 0.030 . 2 . . . . 44 PRO HG3 . 11132 1 487 . 1 1 44 44 PRO C C 13 175.621 0.300 . 1 . . . . 44 PRO C . 11132 1 488 . 1 1 44 44 PRO CA C 13 62.897 0.300 . 1 . . . . 44 PRO CA . 11132 1 489 . 1 1 44 44 PRO CB C 13 28.854 0.300 . 1 . . . . 44 PRO CB . 11132 1 490 . 1 1 44 44 PRO CD C 13 48.020 0.300 . 1 . . . . 44 PRO CD . 11132 1 491 . 1 1 44 44 PRO CG C 13 25.448 0.300 . 1 . . . . 44 PRO CG . 11132 1 492 . 1 1 45 45 TYR H H 1 7.321 0.030 . 1 . . . . 45 TYR H . 11132 1 493 . 1 1 45 45 TYR HA H 1 4.525 0.030 . 1 . . . . 45 TYR HA . 11132 1 494 . 1 1 45 45 TYR HB2 H 1 2.791 0.030 . 2 . . . . 45 TYR HB2 . 11132 1 495 . 1 1 45 45 TYR HB3 H 1 3.229 0.030 . 2 . . . . 45 TYR HB3 . 11132 1 496 . 1 1 45 45 TYR HD1 H 1 7.091 0.030 . 1 . . . . 45 TYR HD1 . 11132 1 497 . 1 1 45 45 TYR HD2 H 1 7.091 0.030 . 1 . . . . 45 TYR HD2 . 11132 1 498 . 1 1 45 45 TYR HE1 H 1 6.756 0.030 . 1 . . . . 45 TYR HE1 . 11132 1 499 . 1 1 45 45 TYR HE2 H 1 6.756 0.030 . 1 . . . . 45 TYR HE2 . 11132 1 500 . 1 1 45 45 TYR C C 13 175.194 0.300 . 1 . . . . 45 TYR C . 11132 1 501 . 1 1 45 45 TYR CA C 13 56.877 0.300 . 1 . . . . 45 TYR CA . 11132 1 502 . 1 1 45 45 TYR CB C 13 37.566 0.300 . 1 . . . . 45 TYR CB . 11132 1 503 . 1 1 45 45 TYR CD1 C 13 130.437 0.300 . 1 . . . . 45 TYR CD1 . 11132 1 504 . 1 1 45 45 TYR CD2 C 13 130.437 0.300 . 1 . . . . 45 TYR CD2 . 11132 1 505 . 1 1 45 45 TYR CE1 C 13 116.221 0.300 . 1 . . . . 45 TYR CE1 . 11132 1 506 . 1 1 45 45 TYR CE2 C 13 116.221 0.300 . 1 . . . . 45 TYR CE2 . 11132 1 507 . 1 1 45 45 TYR N N 15 112.510 0.300 . 1 . . . . 45 TYR N . 11132 1 508 . 1 1 46 46 CYS H H 1 7.169 0.030 . 1 . . . . 46 CYS H . 11132 1 509 . 1 1 46 46 CYS HA H 1 4.961 0.030 . 1 . . . . 46 CYS HA . 11132 1 510 . 1 1 46 46 CYS HB2 H 1 2.951 0.030 . 2 . . . . 46 CYS HB2 . 11132 1 511 . 1 1 46 46 CYS HB3 H 1 3.170 0.030 . 2 . . . . 46 CYS HB3 . 11132 1 512 . 1 1 46 46 CYS C C 13 173.053 0.300 . 1 . . . . 46 CYS C . 11132 1 513 . 1 1 46 46 CYS CA C 13 57.766 0.300 . 1 . . . . 46 CYS CA . 11132 1 514 . 1 1 46 46 CYS CB C 13 27.538 0.300 . 1 . . . . 46 CYS CB . 11132 1 515 . 1 1 46 46 CYS N N 15 113.716 0.300 . 1 . . . . 46 CYS N . 11132 1 516 . 1 1 47 47 SER H H 1 7.608 0.030 . 1 . . . . 47 SER H . 11132 1 517 . 1 1 47 47 SER HA H 1 4.114 0.030 . 1 . . . . 47 SER HA . 11132 1 518 . 1 1 47 47 SER HB2 H 1 3.850 0.030 . 1 . . . . 47 SER HB2 . 11132 1 519 . 1 1 47 47 SER HB3 H 1 3.850 0.030 . 1 . . . . 47 SER HB3 . 11132 1 520 . 1 1 47 47 SER C C 13 173.055 0.300 . 1 . . . . 47 SER C . 11132 1 521 . 1 1 47 47 SER CA C 13 59.926 0.300 . 1 . . . . 47 SER CA . 11132 1 522 . 1 1 47 47 SER CB C 13 60.280 0.300 . 1 . . . . 47 SER CB . 11132 1 523 . 1 1 47 47 SER N N 15 116.665 0.300 . 1 . . . . 47 SER N . 11132 1 524 . 1 1 48 48 SER H H 1 7.455 0.030 . 1 . . . . 48 SER H . 11132 1 525 . 1 1 48 48 SER HA H 1 4.256 0.030 . 1 . . . . 48 SER HA . 11132 1 526 . 1 1 48 48 SER HB2 H 1 3.906 0.030 . 2 . . . . 48 SER HB2 . 11132 1 527 . 1 1 48 48 SER HB3 H 1 3.860 0.030 . 2 . . . . 48 SER HB3 . 11132 1 528 . 1 1 48 48 SER C C 13 174.109 0.300 . 1 . . . . 48 SER C . 11132 1 529 . 1 1 48 48 SER CA C 13 59.329 0.300 . 1 . . . . 48 SER CA . 11132 1 530 . 1 1 48 48 SER CB C 13 59.744 0.300 . 1 . . . . 48 SER CB . 11132 1 531 . 1 1 49 49 ASP H H 1 8.139 0.030 . 1 . . . . 49 ASP H . 11132 1 532 . 1 1 49 49 ASP HA H 1 4.408 0.030 . 1 . . . . 49 ASP HA . 11132 1 533 . 1 1 49 49 ASP HB2 H 1 2.863 0.030 . 2 . . . . 49 ASP HB2 . 11132 1 534 . 1 1 49 49 ASP HB3 H 1 2.833 0.030 . 2 . . . . 49 ASP HB3 . 11132 1 535 . 1 1 49 49 ASP C C 13 176.701 0.300 . 1 . . . . 49 ASP C . 11132 1 536 . 1 1 49 49 ASP CA C 13 54.868 0.300 . 1 . . . . 49 ASP CA . 11132 1 537 . 1 1 49 49 ASP CB C 13 38.187 0.300 . 1 . . . . 49 ASP CB . 11132 1 538 . 1 1 49 49 ASP N N 15 120.923 0.300 . 1 . . . . 49 ASP N . 11132 1 539 . 1 1 50 50 TRP H H 1 8.009 0.030 . 1 . . . . 50 TRP H . 11132 1 540 . 1 1 50 50 TRP HA H 1 3.782 0.030 . 1 . . . . 50 TRP HA . 11132 1 541 . 1 1 50 50 TRP HB2 H 1 3.132 0.030 . 2 . . . . 50 TRP HB2 . 11132 1 542 . 1 1 50 50 TRP HB3 H 1 3.198 0.030 . 2 . . . . 50 TRP HB3 . 11132 1 543 . 1 1 50 50 TRP HD1 H 1 6.877 0.030 . 1 . . . . 50 TRP HD1 . 11132 1 544 . 1 1 50 50 TRP HE1 H 1 9.850 0.030 . 1 . . . . 50 TRP HE1 . 11132 1 545 . 1 1 50 50 TRP HE3 H 1 5.800 0.030 . 1 . . . . 50 TRP HE3 . 11132 1 546 . 1 1 50 50 TRP HH2 H 1 7.026 0.030 . 1 . . . . 50 TRP HH2 . 11132 1 547 . 1 1 50 50 TRP HZ2 H 1 7.402 0.030 . 1 . . . . 50 TRP HZ2 . 11132 1 548 . 1 1 50 50 TRP HZ3 H 1 6.399 0.030 . 1 . . . . 50 TRP HZ3 . 11132 1 549 . 1 1 50 50 TRP C C 13 174.820 0.300 . 1 . . . . 50 TRP C . 11132 1 550 . 1 1 50 50 TRP CA C 13 56.913 0.300 . 1 . . . . 50 TRP CA . 11132 1 551 . 1 1 50 50 TRP CB C 13 28.502 0.300 . 1 . . . . 50 TRP CB . 11132 1 552 . 1 1 50 50 TRP CD1 C 13 125.289 0.300 . 1 . . . . 50 TRP CD1 . 11132 1 553 . 1 1 50 50 TRP CE3 C 13 119.189 0.300 . 1 . . . . 50 TRP CE3 . 11132 1 554 . 1 1 50 50 TRP CH2 C 13 121.358 0.300 . 1 . . . . 50 TRP CH2 . 11132 1 555 . 1 1 50 50 TRP CZ2 C 13 111.251 0.300 . 1 . . . . 50 TRP CZ2 . 11132 1 556 . 1 1 50 50 TRP CZ3 C 13 119.456 0.300 . 1 . . . . 50 TRP CZ3 . 11132 1 557 . 1 1 50 50 TRP N N 15 120.095 0.300 . 1 . . . . 50 TRP N . 11132 1 558 . 1 1 50 50 TRP NE1 N 15 127.565 0.300 . 1 . . . . 50 TRP NE1 . 11132 1 559 . 1 1 51 51 ALA H H 1 7.409 0.030 . 1 . . . . 51 ALA H . 11132 1 560 . 1 1 51 51 ALA HA H 1 3.847 0.030 . 1 . . . . 51 ALA HA . 11132 1 561 . 1 1 51 51 ALA HB1 H 1 1.434 0.030 . 1 . . . . 51 ALA HB . 11132 1 562 . 1 1 51 51 ALA HB2 H 1 1.434 0.030 . 1 . . . . 51 ALA HB . 11132 1 563 . 1 1 51 51 ALA HB3 H 1 1.434 0.030 . 1 . . . . 51 ALA HB . 11132 1 564 . 1 1 51 51 ALA C C 13 176.677 0.300 . 1 . . . . 51 ALA C . 11132 1 565 . 1 1 51 51 ALA CA C 13 51.795 0.300 . 1 . . . . 51 ALA CA . 11132 1 566 . 1 1 51 51 ALA CB C 13 15.850 0.300 . 1 . . . . 51 ALA CB . 11132 1 567 . 1 1 51 51 ALA N N 15 117.610 0.300 . 1 . . . . 51 ALA N . 11132 1 568 . 1 1 52 52 LEU H H 1 7.044 0.030 . 1 . . . . 52 LEU H . 11132 1 569 . 1 1 52 52 LEU HA H 1 4.103 0.030 . 1 . . . . 52 LEU HA . 11132 1 570 . 1 1 52 52 LEU HB2 H 1 1.562 0.030 . 2 . . . . 52 LEU HB2 . 11132 1 571 . 1 1 52 52 LEU HB3 H 1 1.697 0.030 . 2 . . . . 52 LEU HB3 . 11132 1 572 . 1 1 52 52 LEU HD11 H 1 0.850 0.030 . 1 . . . . 52 LEU HD1 . 11132 1 573 . 1 1 52 52 LEU HD12 H 1 0.850 0.030 . 1 . . . . 52 LEU HD1 . 11132 1 574 . 1 1 52 52 LEU HD13 H 1 0.850 0.030 . 1 . . . . 52 LEU HD1 . 11132 1 575 . 1 1 52 52 LEU HD21 H 1 0.781 0.030 . 1 . . . . 52 LEU HD2 . 11132 1 576 . 1 1 52 52 LEU HD22 H 1 0.781 0.030 . 1 . . . . 52 LEU HD2 . 11132 1 577 . 1 1 52 52 LEU HD23 H 1 0.781 0.030 . 1 . . . . 52 LEU HD2 . 11132 1 578 . 1 1 52 52 LEU HG H 1 1.759 0.030 . 1 . . . . 52 LEU HG . 11132 1 579 . 1 1 52 52 LEU C C 13 175.405 0.300 . 1 . . . . 52 LEU C . 11132 1 580 . 1 1 52 52 LEU CA C 13 52.576 0.300 . 1 . . . . 52 LEU CA . 11132 1 581 . 1 1 52 52 LEU CB C 13 40.660 0.300 . 1 . . . . 52 LEU CB . 11132 1 582 . 1 1 52 52 LEU CD1 C 13 22.960 0.300 . 2 . . . . 52 LEU CD1 . 11132 1 583 . 1 1 52 52 LEU CD2 C 13 20.402 0.300 . 2 . . . . 52 LEU CD2 . 11132 1 584 . 1 1 52 52 LEU CG C 13 24.332 0.300 . 1 . . . . 52 LEU CG . 11132 1 585 . 1 1 52 52 LEU N N 15 115.008 0.300 . 1 . . . . 52 LEU N . 11132 1 586 . 1 1 53 53 LEU H H 1 6.970 0.030 . 1 . . . . 53 LEU H . 11132 1 587 . 1 1 53 53 LEU HA H 1 4.029 0.030 . 1 . . . . 53 LEU HA . 11132 1 588 . 1 1 53 53 LEU HB2 H 1 1.195 0.030 . 2 . . . . 53 LEU HB2 . 11132 1 589 . 1 1 53 53 LEU HB3 H 1 1.126 0.030 . 2 . . . . 53 LEU HB3 . 11132 1 590 . 1 1 53 53 LEU HD11 H 1 0.571 0.030 . 1 . . . . 53 LEU HD1 . 11132 1 591 . 1 1 53 53 LEU HD12 H 1 0.571 0.030 . 1 . . . . 53 LEU HD1 . 11132 1 592 . 1 1 53 53 LEU HD13 H 1 0.571 0.030 . 1 . . . . 53 LEU HD1 . 11132 1 593 . 1 1 53 53 LEU HD21 H 1 0.738 0.030 . 1 . . . . 53 LEU HD2 . 11132 1 594 . 1 1 53 53 LEU HD22 H 1 0.738 0.030 . 1 . . . . 53 LEU HD2 . 11132 1 595 . 1 1 53 53 LEU HD23 H 1 0.738 0.030 . 1 . . . . 53 LEU HD2 . 11132 1 596 . 1 1 53 53 LEU HG H 1 1.690 0.030 . 1 . . . . 53 LEU HG . 11132 1 597 . 1 1 53 53 LEU C C 13 175.546 0.300 . 1 . . . . 53 LEU C . 11132 1 598 . 1 1 53 53 LEU CA C 13 52.985 0.300 . 1 . . . . 53 LEU CA . 11132 1 599 . 1 1 53 53 LEU CB C 13 40.248 0.300 . 1 . . . . 53 LEU CB . 11132 1 600 . 1 1 53 53 LEU CD1 C 13 23.708 0.300 . 2 . . . . 53 LEU CD1 . 11132 1 601 . 1 1 53 53 LEU CD2 C 13 21.552 0.300 . 2 . . . . 53 LEU CD2 . 11132 1 602 . 1 1 53 53 LEU CG C 13 24.439 0.300 . 1 . . . . 53 LEU CG . 11132 1 603 . 1 1 53 53 LEU N N 15 121.104 0.300 . 1 . . . . 53 LEU N . 11132 1 604 . 1 1 54 54 ARG H H 1 8.913 0.030 . 1 . . . . 54 ARG H . 11132 1 605 . 1 1 54 54 ARG HA H 1 4.187 0.030 . 1 . . . . 54 ARG HA . 11132 1 606 . 1 1 54 54 ARG HB2 H 1 1.662 0.030 . 2 . . . . 54 ARG HB2 . 11132 1 607 . 1 1 54 54 ARG HB3 H 1 2.097 0.030 . 2 . . . . 54 ARG HB3 . 11132 1 608 . 1 1 54 54 ARG HD2 H 1 3.221 0.030 . 1 . . . . 54 ARG HD2 . 11132 1 609 . 1 1 54 54 ARG HD3 H 1 3.221 0.030 . 1 . . . . 54 ARG HD3 . 11132 1 610 . 1 1 54 54 ARG HG2 H 1 1.710 0.030 . 2 . . . . 54 ARG HG2 . 11132 1 611 . 1 1 54 54 ARG HG3 H 1 1.783 0.030 . 2 . . . . 54 ARG HG3 . 11132 1 612 . 1 1 54 54 ARG C C 13 176.133 0.300 . 1 . . . . 54 ARG C . 11132 1 613 . 1 1 54 54 ARG CA C 13 53.616 0.300 . 1 . . . . 54 ARG CA . 11132 1 614 . 1 1 54 54 ARG CB C 13 28.816 0.300 . 1 . . . . 54 ARG CB . 11132 1 615 . 1 1 54 54 ARG CD C 13 40.960 0.300 . 1 . . . . 54 ARG CD . 11132 1 616 . 1 1 54 54 ARG CG C 13 25.743 0.300 . 1 . . . . 54 ARG CG . 11132 1 617 . 1 1 54 54 ARG N N 15 122.291 0.300 . 1 . . . . 54 ARG N . 11132 1 618 . 1 1 55 55 GLU H H 1 9.036 0.030 . 1 . . . . 55 GLU H . 11132 1 619 . 1 1 55 55 GLU HA H 1 3.642 0.030 . 1 . . . . 55 GLU HA . 11132 1 620 . 1 1 55 55 GLU HB2 H 1 1.944 0.030 . 1 . . . . 55 GLU HB2 . 11132 1 621 . 1 1 55 55 GLU HB3 H 1 1.944 0.030 . 1 . . . . 55 GLU HB3 . 11132 1 622 . 1 1 55 55 GLU HG2 H 1 2.269 0.030 . 1 . . . . 55 GLU HG2 . 11132 1 623 . 1 1 55 55 GLU HG3 H 1 2.269 0.030 . 1 . . . . 55 GLU HG3 . 11132 1 624 . 1 1 55 55 GLU C C 13 176.923 0.300 . 1 . . . . 55 GLU C . 11132 1 625 . 1 1 55 55 GLU CA C 13 58.171 0.300 . 1 . . . . 55 GLU CA . 11132 1 626 . 1 1 55 55 GLU CB C 13 26.729 0.300 . 1 . . . . 55 GLU CB . 11132 1 627 . 1 1 55 55 GLU CG C 13 33.734 0.300 . 1 . . . . 55 GLU CG . 11132 1 628 . 1 1 55 55 GLU N N 15 123.495 0.300 . 1 . . . . 55 GLU N . 11132 1 629 . 1 1 56 56 GLU H H 1 9.602 0.030 . 1 . . . . 56 GLU H . 11132 1 630 . 1 1 56 56 GLU HA H 1 4.083 0.030 . 1 . . . . 56 GLU HA . 11132 1 631 . 1 1 56 56 GLU HB2 H 1 1.940 0.030 . 1 . . . . 56 GLU HB2 . 11132 1 632 . 1 1 56 56 GLU HB3 H 1 1.940 0.030 . 1 . . . . 56 GLU HB3 . 11132 1 633 . 1 1 56 56 GLU HG2 H 1 2.265 0.030 . 1 . . . . 56 GLU HG2 . 11132 1 634 . 1 1 56 56 GLU HG3 H 1 2.265 0.030 . 1 . . . . 56 GLU HG3 . 11132 1 635 . 1 1 56 56 GLU C C 13 176.570 0.300 . 1 . . . . 56 GLU C . 11132 1 636 . 1 1 56 56 GLU CA C 13 57.195 0.300 . 1 . . . . 56 GLU CA . 11132 1 637 . 1 1 56 56 GLU CB C 13 26.376 0.300 . 1 . . . . 56 GLU CB . 11132 1 638 . 1 1 56 56 GLU CG C 13 33.742 0.300 . 1 . . . . 56 GLU CG . 11132 1 639 . 1 1 56 56 GLU N N 15 116.697 0.300 . 1 . . . . 56 GLU N . 11132 1 640 . 1 1 57 57 GLU H H 1 7.160 0.030 . 1 . . . . 57 GLU H . 11132 1 641 . 1 1 57 57 GLU HA H 1 4.186 0.030 . 1 . . . . 57 GLU HA . 11132 1 642 . 1 1 57 57 GLU HB2 H 1 2.159 0.030 . 2 . . . . 57 GLU HB2 . 11132 1 643 . 1 1 57 57 GLU HB3 H 1 2.262 0.030 . 2 . . . . 57 GLU HB3 . 11132 1 644 . 1 1 57 57 GLU HG2 H 1 2.239 0.030 . 1 . . . . 57 GLU HG2 . 11132 1 645 . 1 1 57 57 GLU HG3 H 1 2.239 0.030 . 1 . . . . 57 GLU HG3 . 11132 1 646 . 1 1 57 57 GLU C C 13 176.129 0.300 . 1 . . . . 57 GLU C . 11132 1 647 . 1 1 57 57 GLU CA C 13 55.943 0.300 . 1 . . . . 57 GLU CA . 11132 1 648 . 1 1 57 57 GLU CB C 13 28.384 0.300 . 1 . . . . 57 GLU CB . 11132 1 649 . 1 1 57 57 GLU CG C 13 35.368 0.300 . 1 . . . . 57 GLU CG . 11132 1 650 . 1 1 57 57 GLU N N 15 118.324 0.300 . 1 . . . . 57 GLU N . 11132 1 651 . 1 1 58 58 LYS H H 1 7.748 0.030 . 1 . . . . 58 LYS H . 11132 1 652 . 1 1 58 58 LYS HA H 1 3.992 0.030 . 1 . . . . 58 LYS HA . 11132 1 653 . 1 1 58 58 LYS HB2 H 1 1.693 0.030 . 1 . . . . 58 LYS HB2 . 11132 1 654 . 1 1 58 58 LYS HB3 H 1 1.693 0.030 . 1 . . . . 58 LYS HB3 . 11132 1 655 . 1 1 58 58 LYS HD2 H 1 0.900 0.030 . 2 . . . . 58 LYS HD2 . 11132 1 656 . 1 1 58 58 LYS HD3 H 1 1.016 0.030 . 2 . . . . 58 LYS HD3 . 11132 1 657 . 1 1 58 58 LYS HE2 H 1 1.773 0.030 . 2 . . . . 58 LYS HE2 . 11132 1 658 . 1 1 58 58 LYS HE3 H 1 1.626 0.030 . 2 . . . . 58 LYS HE3 . 11132 1 659 . 1 1 58 58 LYS HG2 H 1 0.884 0.030 . 2 . . . . 58 LYS HG2 . 11132 1 660 . 1 1 58 58 LYS HG3 H 1 -0.313 0.030 . 2 . . . . 58 LYS HG3 . 11132 1 661 . 1 1 58 58 LYS C C 13 177.151 0.300 . 1 . . . . 58 LYS C . 11132 1 662 . 1 1 58 58 LYS CA C 13 57.879 0.300 . 1 . . . . 58 LYS CA . 11132 1 663 . 1 1 58 58 LYS CB C 13 30.599 0.300 . 1 . . . . 58 LYS CB . 11132 1 664 . 1 1 58 58 LYS CD C 13 27.360 0.300 . 1 . . . . 58 LYS CD . 11132 1 665 . 1 1 58 58 LYS CE C 13 39.658 0.300 . 1 . . . . 58 LYS CE . 11132 1 666 . 1 1 58 58 LYS CG C 13 24.215 0.300 . 1 . . . . 58 LYS CG . 11132 1 667 . 1 1 58 58 LYS N N 15 118.255 0.300 . 1 . . . . 58 LYS N . 11132 1 668 . 1 1 59 59 GLU H H 1 7.693 0.030 . 1 . . . . 59 GLU H . 11132 1 669 . 1 1 59 59 GLU HA H 1 4.131 0.030 . 1 . . . . 59 GLU HA . 11132 1 670 . 1 1 59 59 GLU HB2 H 1 2.049 0.030 . 2 . . . . 59 GLU HB2 . 11132 1 671 . 1 1 59 59 GLU HB3 H 1 1.932 0.030 . 2 . . . . 59 GLU HB3 . 11132 1 672 . 1 1 59 59 GLU HG2 H 1 2.312 0.030 . 1 . . . . 59 GLU HG2 . 11132 1 673 . 1 1 59 59 GLU HG3 H 1 2.312 0.030 . 1 . . . . 59 GLU HG3 . 11132 1 674 . 1 1 59 59 GLU C C 13 175.767 0.300 . 1 . . . . 59 GLU C . 11132 1 675 . 1 1 59 59 GLU CA C 13 56.345 0.300 . 1 . . . . 59 GLU CA . 11132 1 676 . 1 1 59 59 GLU CB C 13 26.837 0.300 . 1 . . . . 59 GLU CB . 11132 1 677 . 1 1 59 59 GLU CG C 13 33.271 0.300 . 1 . . . . 59 GLU CG . 11132 1 678 . 1 1 59 59 GLU N N 15 118.264 0.300 . 1 . . . . 59 GLU N . 11132 1 679 . 1 1 60 60 LYS H H 1 7.491 0.030 . 1 . . . . 60 LYS H . 11132 1 680 . 1 1 60 60 LYS HA H 1 3.975 0.030 . 1 . . . . 60 LYS HA . 11132 1 681 . 1 1 60 60 LYS HB2 H 1 1.495 0.030 . 2 . . . . 60 LYS HB2 . 11132 1 682 . 1 1 60 60 LYS HB3 H 1 1.718 0.030 . 2 . . . . 60 LYS HB3 . 11132 1 683 . 1 1 60 60 LYS HD2 H 1 1.507 0.030 . 2 . . . . 60 LYS HD2 . 11132 1 684 . 1 1 60 60 LYS HD3 H 1 1.440 0.030 . 2 . . . . 60 LYS HD3 . 11132 1 685 . 1 1 60 60 LYS HE2 H 1 2.722 0.030 . 1 . . . . 60 LYS HE2 . 11132 1 686 . 1 1 60 60 LYS HE3 H 1 2.722 0.030 . 1 . . . . 60 LYS HE3 . 11132 1 687 . 1 1 60 60 LYS HG2 H 1 0.905 0.030 . 2 . . . . 60 LYS HG2 . 11132 1 688 . 1 1 60 60 LYS HG3 H 1 1.108 0.030 . 2 . . . . 60 LYS HG3 . 11132 1 689 . 1 1 60 60 LYS C C 13 176.862 0.300 . 1 . . . . 60 LYS C . 11132 1 690 . 1 1 60 60 LYS CA C 13 56.861 0.300 . 1 . . . . 60 LYS CA . 11132 1 691 . 1 1 60 60 LYS CB C 13 29.300 0.300 . 1 . . . . 60 LYS CB . 11132 1 692 . 1 1 60 60 LYS CD C 13 26.813 0.300 . 1 . . . . 60 LYS CD . 11132 1 693 . 1 1 60 60 LYS CE C 13 39.700 0.300 . 1 . . . . 60 LYS CE . 11132 1 694 . 1 1 60 60 LYS CG C 13 21.850 0.300 . 1 . . . . 60 LYS CG . 11132 1 695 . 1 1 60 60 LYS N N 15 118.776 0.300 . 1 . . . . 60 LYS N . 11132 1 696 . 1 1 61 61 TYR H H 1 7.222 0.030 . 1 . . . . 61 TYR H . 11132 1 697 . 1 1 61 61 TYR HA H 1 4.352 0.030 . 1 . . . . 61 TYR HA . 11132 1 698 . 1 1 61 61 TYR HB2 H 1 3.192 0.030 . 2 . . . . 61 TYR HB2 . 11132 1 699 . 1 1 61 61 TYR HB3 H 1 4.027 0.030 . 2 . . . . 61 TYR HB3 . 11132 1 700 . 1 1 61 61 TYR HD1 H 1 7.378 0.030 . 1 . . . . 61 TYR HD1 . 11132 1 701 . 1 1 61 61 TYR HD2 H 1 7.378 0.030 . 1 . . . . 61 TYR HD2 . 11132 1 702 . 1 1 61 61 TYR HE1 H 1 6.934 0.030 . 1 . . . . 61 TYR HE1 . 11132 1 703 . 1 1 61 61 TYR HE2 H 1 6.934 0.030 . 1 . . . . 61 TYR HE2 . 11132 1 704 . 1 1 61 61 TYR C C 13 175.755 0.300 . 1 . . . . 61 TYR C . 11132 1 705 . 1 1 61 61 TYR CA C 13 59.098 0.300 . 1 . . . . 61 TYR CA . 11132 1 706 . 1 1 61 61 TYR CB C 13 35.660 0.300 . 1 . . . . 61 TYR CB . 11132 1 707 . 1 1 61 61 TYR CD1 C 13 131.277 0.300 . 1 . . . . 61 TYR CD1 . 11132 1 708 . 1 1 61 61 TYR CD2 C 13 131.277 0.300 . 1 . . . . 61 TYR CD2 . 11132 1 709 . 1 1 61 61 TYR CE1 C 13 116.378 0.300 . 1 . . . . 61 TYR CE1 . 11132 1 710 . 1 1 61 61 TYR CE2 C 13 116.378 0.300 . 1 . . . . 61 TYR CE2 . 11132 1 711 . 1 1 61 61 TYR N N 15 119.178 0.300 . 1 . . . . 61 TYR N . 11132 1 712 . 1 1 62 62 ALA H H 1 8.169 0.030 . 1 . . . . 62 ALA H . 11132 1 713 . 1 1 62 62 ALA HA H 1 4.139 0.030 . 1 . . . . 62 ALA HA . 11132 1 714 . 1 1 62 62 ALA HB1 H 1 1.619 0.030 . 1 . . . . 62 ALA HB . 11132 1 715 . 1 1 62 62 ALA HB2 H 1 1.619 0.030 . 1 . . . . 62 ALA HB . 11132 1 716 . 1 1 62 62 ALA HB3 H 1 1.619 0.030 . 1 . . . . 62 ALA HB . 11132 1 717 . 1 1 62 62 ALA C C 13 178.639 0.300 . 1 . . . . 62 ALA C . 11132 1 718 . 1 1 62 62 ALA CA C 13 53.282 0.300 . 1 . . . . 62 ALA CA . 11132 1 719 . 1 1 62 62 ALA CB C 13 15.454 0.300 . 1 . . . . 62 ALA CB . 11132 1 720 . 1 1 62 62 ALA N N 15 123.862 0.300 . 1 . . . . 62 ALA N . 11132 1 721 . 1 1 63 63 GLU H H 1 8.408 0.030 . 1 . . . . 63 GLU H . 11132 1 722 . 1 1 63 63 GLU HA H 1 4.058 0.030 . 1 . . . . 63 GLU HA . 11132 1 723 . 1 1 63 63 GLU HB2 H 1 2.005 0.030 . 2 . . . . 63 GLU HB2 . 11132 1 724 . 1 1 63 63 GLU HB3 H 1 2.097 0.030 . 2 . . . . 63 GLU HB3 . 11132 1 725 . 1 1 63 63 GLU HG2 H 1 2.248 0.030 . 1 . . . . 63 GLU HG2 . 11132 1 726 . 1 1 63 63 GLU HG3 H 1 2.248 0.030 . 1 . . . . 63 GLU HG3 . 11132 1 727 . 1 1 63 63 GLU C C 13 176.202 0.300 . 1 . . . . 63 GLU C . 11132 1 728 . 1 1 63 63 GLU CA C 13 56.831 0.300 . 1 . . . . 63 GLU CA . 11132 1 729 . 1 1 63 63 GLU CB C 13 26.704 0.300 . 1 . . . . 63 GLU CB . 11132 1 730 . 1 1 63 63 GLU CG C 13 33.337 0.300 . 1 . . . . 63 GLU CG . 11132 1 731 . 1 1 63 63 GLU N N 15 120.207 0.300 . 1 . . . . 63 GLU N . 11132 1 732 . 1 1 64 64 MET H H 1 7.349 0.030 . 1 . . . . 64 MET H . 11132 1 733 . 1 1 64 64 MET HA H 1 3.820 0.030 . 1 . . . . 64 MET HA . 11132 1 734 . 1 1 64 64 MET HB2 H 1 2.356 0.030 . 2 . . . . 64 MET HB2 . 11132 1 735 . 1 1 64 64 MET HB3 H 1 2.655 0.030 . 2 . . . . 64 MET HB3 . 11132 1 736 . 1 1 64 64 MET HE1 H 1 1.999 0.030 . 1 . . . . 64 MET HE . 11132 1 737 . 1 1 64 64 MET HE2 H 1 1.999 0.030 . 1 . . . . 64 MET HE . 11132 1 738 . 1 1 64 64 MET HE3 H 1 1.999 0.030 . 1 . . . . 64 MET HE . 11132 1 739 . 1 1 64 64 MET HG2 H 1 1.879 0.030 . 2 . . . . 64 MET HG2 . 11132 1 740 . 1 1 64 64 MET HG3 H 1 1.239 0.030 . 2 . . . . 64 MET HG3 . 11132 1 741 . 1 1 64 64 MET C C 13 176.563 0.300 . 1 . . . . 64 MET C . 11132 1 742 . 1 1 64 64 MET CA C 13 57.072 0.300 . 1 . . . . 64 MET CA . 11132 1 743 . 1 1 64 64 MET CB C 13 30.075 0.300 . 1 . . . . 64 MET CB . 11132 1 744 . 1 1 64 64 MET CE C 13 15.519 0.300 . 1 . . . . 64 MET CE . 11132 1 745 . 1 1 64 64 MET CG C 13 30.096 0.300 . 1 . . . . 64 MET CG . 11132 1 746 . 1 1 64 64 MET N N 15 118.631 0.300 . 1 . . . . 64 MET N . 11132 1 747 . 1 1 65 65 ALA H H 1 7.633 0.030 . 1 . . . . 65 ALA H . 11132 1 748 . 1 1 65 65 ALA HA H 1 3.956 0.030 . 1 . . . . 65 ALA HA . 11132 1 749 . 1 1 65 65 ALA HB1 H 1 1.510 0.030 . 1 . . . . 65 ALA HB . 11132 1 750 . 1 1 65 65 ALA HB2 H 1 1.510 0.030 . 1 . . . . 65 ALA HB . 11132 1 751 . 1 1 65 65 ALA HB3 H 1 1.510 0.030 . 1 . . . . 65 ALA HB . 11132 1 752 . 1 1 65 65 ALA C C 13 177.339 0.300 . 1 . . . . 65 ALA C . 11132 1 753 . 1 1 65 65 ALA CA C 13 52.813 0.300 . 1 . . . . 65 ALA CA . 11132 1 754 . 1 1 65 65 ALA CB C 13 15.177 0.300 . 1 . . . . 65 ALA CB . 11132 1 755 . 1 1 65 65 ALA N N 15 121.235 0.300 . 1 . . . . 65 ALA N . 11132 1 756 . 1 1 66 66 ARG H H 1 8.126 0.030 . 1 . . . . 66 ARG H . 11132 1 757 . 1 1 66 66 ARG HA H 1 3.974 0.030 . 1 . . . . 66 ARG HA . 11132 1 758 . 1 1 66 66 ARG HB2 H 1 1.989 0.030 . 2 . . . . 66 ARG HB2 . 11132 1 759 . 1 1 66 66 ARG HB3 H 1 1.888 0.030 . 2 . . . . 66 ARG HB3 . 11132 1 760 . 1 1 66 66 ARG HD2 H 1 3.203 0.030 . 1 . . . . 66 ARG HD2 . 11132 1 761 . 1 1 66 66 ARG HD3 H 1 3.203 0.030 . 1 . . . . 66 ARG HD3 . 11132 1 762 . 1 1 66 66 ARG HG2 H 1 1.795 0.030 . 2 . . . . 66 ARG HG2 . 11132 1 763 . 1 1 66 66 ARG HG3 H 1 1.536 0.030 . 2 . . . . 66 ARG HG3 . 11132 1 764 . 1 1 66 66 ARG C C 13 177.329 0.300 . 1 . . . . 66 ARG C . 11132 1 765 . 1 1 66 66 ARG CA C 13 57.901 0.300 . 1 . . . . 66 ARG CA . 11132 1 766 . 1 1 66 66 ARG CB C 13 28.074 0.300 . 1 . . . . 66 ARG CB . 11132 1 767 . 1 1 66 66 ARG CD C 13 41.254 0.300 . 1 . . . . 66 ARG CD . 11132 1 768 . 1 1 66 66 ARG CG C 13 25.882 0.300 . 1 . . . . 66 ARG CG . 11132 1 769 . 1 1 66 66 ARG N N 15 120.506 0.300 . 1 . . . . 66 ARG N . 11132 1 770 . 1 1 67 67 GLU H H 1 8.327 0.030 . 1 . . . . 67 GLU H . 11132 1 771 . 1 1 67 67 GLU HA H 1 3.957 0.030 . 1 . . . . 67 GLU HA . 11132 1 772 . 1 1 67 67 GLU HB2 H 1 1.992 0.030 . 1 . . . . 67 GLU HB2 . 11132 1 773 . 1 1 67 67 GLU HB3 H 1 1.992 0.030 . 1 . . . . 67 GLU HB3 . 11132 1 774 . 1 1 67 67 GLU HG2 H 1 2.335 0.030 . 2 . . . . 67 GLU HG2 . 11132 1 775 . 1 1 67 67 GLU HG3 H 1 2.160 0.030 . 2 . . . . 67 GLU HG3 . 11132 1 776 . 1 1 67 67 GLU C C 13 176.628 0.300 . 1 . . . . 67 GLU C . 11132 1 777 . 1 1 67 67 GLU CA C 13 56.825 0.300 . 1 . . . . 67 GLU CA . 11132 1 778 . 1 1 67 67 GLU CB C 13 27.046 0.300 . 1 . . . . 67 GLU CB . 11132 1 779 . 1 1 67 67 GLU CG C 13 34.077 0.300 . 1 . . . . 67 GLU CG . 11132 1 780 . 1 1 67 67 GLU N N 15 120.183 0.300 . 1 . . . . 67 GLU N . 11132 1 781 . 1 1 68 68 TRP H H 1 8.062 0.030 . 1 . . . . 68 TRP H . 11132 1 782 . 1 1 68 68 TRP HA H 1 4.175 0.030 . 1 . . . . 68 TRP HA . 11132 1 783 . 1 1 68 68 TRP HB2 H 1 3.331 0.030 . 2 . . . . 68 TRP HB2 . 11132 1 784 . 1 1 68 68 TRP HB3 H 1 3.454 0.030 . 2 . . . . 68 TRP HB3 . 11132 1 785 . 1 1 68 68 TRP HD1 H 1 7.395 0.030 . 1 . . . . 68 TRP HD1 . 11132 1 786 . 1 1 68 68 TRP HE1 H 1 10.169 0.030 . 1 . . . . 68 TRP HE1 . 11132 1 787 . 1 1 68 68 TRP HE3 H 1 7.618 0.030 . 1 . . . . 68 TRP HE3 . 11132 1 788 . 1 1 68 68 TRP HH2 H 1 7.075 0.030 . 1 . . . . 68 TRP HH2 . 11132 1 789 . 1 1 68 68 TRP HZ2 H 1 7.289 0.030 . 1 . . . . 68 TRP HZ2 . 11132 1 790 . 1 1 68 68 TRP HZ3 H 1 7.084 0.030 . 1 . . . . 68 TRP HZ3 . 11132 1 791 . 1 1 68 68 TRP C C 13 176.202 0.300 . 1 . . . . 68 TRP C . 11132 1 792 . 1 1 68 68 TRP CA C 13 59.262 0.300 . 1 . . . . 68 TRP CA . 11132 1 793 . 1 1 68 68 TRP CB C 13 26.920 0.300 . 1 . . . . 68 TRP CB . 11132 1 794 . 1 1 68 68 TRP CD1 C 13 124.992 0.300 . 1 . . . . 68 TRP CD1 . 11132 1 795 . 1 1 68 68 TRP CE3 C 13 118.182 0.300 . 1 . . . . 68 TRP CE3 . 11132 1 796 . 1 1 68 68 TRP CH2 C 13 122.281 0.300 . 1 . . . . 68 TRP CH2 . 11132 1 797 . 1 1 68 68 TRP CZ2 C 13 112.242 0.300 . 1 . . . . 68 TRP CZ2 . 11132 1 798 . 1 1 68 68 TRP CZ3 C 13 119.606 0.300 . 1 . . . . 68 TRP CZ3 . 11132 1 799 . 1 1 68 68 TRP N N 15 121.061 0.300 . 1 . . . . 68 TRP N . 11132 1 800 . 1 1 68 68 TRP NE1 N 15 130.041 0.300 . 1 . . . . 68 TRP NE1 . 11132 1 801 . 1 1 69 69 ARG H H 1 8.219 0.030 . 1 . . . . 69 ARG H . 11132 1 802 . 1 1 69 69 ARG HA H 1 3.637 0.030 . 1 . . . . 69 ARG HA . 11132 1 803 . 1 1 69 69 ARG HB2 H 1 1.881 0.030 . 2 . . . . 69 ARG HB2 . 11132 1 804 . 1 1 69 69 ARG HB3 H 1 2.021 0.030 . 2 . . . . 69 ARG HB3 . 11132 1 805 . 1 1 69 69 ARG HD2 H 1 3.289 0.030 . 2 . . . . 69 ARG HD2 . 11132 1 806 . 1 1 69 69 ARG HD3 H 1 3.210 0.030 . 2 . . . . 69 ARG HD3 . 11132 1 807 . 1 1 69 69 ARG HG2 H 1 1.686 0.030 . 2 . . . . 69 ARG HG2 . 11132 1 808 . 1 1 69 69 ARG HG3 H 1 1.911 0.030 . 2 . . . . 69 ARG HG3 . 11132 1 809 . 1 1 69 69 ARG C C 13 176.602 0.300 . 1 . . . . 69 ARG C . 11132 1 810 . 1 1 69 69 ARG CA C 13 56.871 0.300 . 1 . . . . 69 ARG CA . 11132 1 811 . 1 1 69 69 ARG CB C 13 27.909 0.300 . 1 . . . . 69 ARG CB . 11132 1 812 . 1 1 69 69 ARG CD C 13 41.254 0.300 . 1 . . . . 69 ARG CD . 11132 1 813 . 1 1 69 69 ARG CG C 13 25.519 0.300 . 1 . . . . 69 ARG CG . 11132 1 814 . 1 1 69 69 ARG N N 15 118.683 0.300 . 1 . . . . 69 ARG N . 11132 1 815 . 1 1 70 70 ALA H H 1 7.872 0.030 . 1 . . . . 70 ALA H . 11132 1 816 . 1 1 70 70 ALA HA H 1 4.035 0.030 . 1 . . . . 70 ALA HA . 11132 1 817 . 1 1 70 70 ALA HB1 H 1 1.383 0.030 . 1 . . . . 70 ALA HB . 11132 1 818 . 1 1 70 70 ALA HB2 H 1 1.383 0.030 . 1 . . . . 70 ALA HB . 11132 1 819 . 1 1 70 70 ALA HB3 H 1 1.383 0.030 . 1 . . . . 70 ALA HB . 11132 1 820 . 1 1 70 70 ALA C C 13 176.648 0.300 . 1 . . . . 70 ALA C . 11132 1 821 . 1 1 70 70 ALA CA C 13 51.800 0.300 . 1 . . . . 70 ALA CA . 11132 1 822 . 1 1 70 70 ALA CB C 13 15.846 0.300 . 1 . . . . 70 ALA CB . 11132 1 823 . 1 1 70 70 ALA N N 15 121.009 0.300 . 1 . . . . 70 ALA N . 11132 1 824 . 1 1 71 71 ALA H H 1 7.523 0.030 . 1 . . . . 71 ALA H . 11132 1 825 . 1 1 71 71 ALA HA H 1 4.106 0.030 . 1 . . . . 71 ALA HA . 11132 1 826 . 1 1 71 71 ALA HB1 H 1 1.271 0.030 . 1 . . . . 71 ALA HB . 11132 1 827 . 1 1 71 71 ALA HB2 H 1 1.271 0.030 . 1 . . . . 71 ALA HB . 11132 1 828 . 1 1 71 71 ALA HB3 H 1 1.271 0.030 . 1 . . . . 71 ALA HB . 11132 1 829 . 1 1 71 71 ALA C C 13 176.223 0.300 . 1 . . . . 71 ALA C . 11132 1 830 . 1 1 71 71 ALA CA C 13 50.779 0.300 . 1 . . . . 71 ALA CA . 11132 1 831 . 1 1 71 71 ALA CB C 13 16.123 0.300 . 1 . . . . 71 ALA CB . 11132 1 832 . 1 1 71 71 ALA N N 15 119.591 0.300 . 1 . . . . 71 ALA N . 11132 1 833 . 1 1 72 72 GLN H H 1 7.430 0.030 . 1 . . . . 72 GLN H . 11132 1 834 . 1 1 72 72 GLN HA H 1 3.874 0.030 . 1 . . . . 72 GLN HA . 11132 1 835 . 1 1 72 72 GLN HB2 H 1 1.616 0.030 . 2 . . . . 72 GLN HB2 . 11132 1 836 . 1 1 72 72 GLN HB3 H 1 1.865 0.030 . 2 . . . . 72 GLN HB3 . 11132 1 837 . 1 1 72 72 GLN HE21 H 1 6.592 0.030 . 2 . . . . 72 GLN HE21 . 11132 1 838 . 1 1 72 72 GLN HE22 H 1 6.366 0.030 . 2 . . . . 72 GLN HE22 . 11132 1 839 . 1 1 72 72 GLN HG2 H 1 1.813 0.030 . 2 . . . . 72 GLN HG2 . 11132 1 840 . 1 1 72 72 GLN HG3 H 1 1.547 0.030 . 2 . . . . 72 GLN HG3 . 11132 1 841 . 1 1 72 72 GLN C C 13 174.514 0.300 . 1 . . . . 72 GLN C . 11132 1 842 . 1 1 72 72 GLN CA C 13 53.449 0.300 . 1 . . . . 72 GLN CA . 11132 1 843 . 1 1 72 72 GLN CB C 13 26.137 0.300 . 1 . . . . 72 GLN CB . 11132 1 844 . 1 1 72 72 GLN CG C 13 30.422 0.300 . 1 . . . . 72 GLN CG . 11132 1 845 . 1 1 72 72 GLN N N 15 116.078 0.300 . 1 . . . . 72 GLN N . 11132 1 846 . 1 1 72 72 GLN NE2 N 15 113.264 0.300 . 1 . . . . 72 GLN NE2 . 11132 1 847 . 1 1 73 73 GLY H H 1 7.840 0.030 . 1 . . . . 73 GLY H . 11132 1 848 . 1 1 73 73 GLY HA2 H 1 3.766 0.030 . 2 . . . . 73 GLY HA2 . 11132 1 849 . 1 1 73 73 GLY HA3 H 1 3.809 0.030 . 2 . . . . 73 GLY HA3 . 11132 1 850 . 1 1 73 73 GLY C C 13 171.532 0.300 . 1 . . . . 73 GLY C . 11132 1 851 . 1 1 73 73 GLY CA C 13 43.020 0.300 . 1 . . . . 73 GLY CA . 11132 1 852 . 1 1 73 73 GLY N N 15 107.344 0.300 . 1 . . . . 73 GLY N . 11132 1 853 . 1 1 74 74 LYS H H 1 7.765 0.030 . 1 . . . . 74 LYS H . 11132 1 854 . 1 1 74 74 LYS HA H 1 4.222 0.030 . 1 . . . . 74 LYS HA . 11132 1 855 . 1 1 74 74 LYS HB2 H 1 1.617 0.030 . 2 . . . . 74 LYS HB2 . 11132 1 856 . 1 1 74 74 LYS HB3 H 1 1.714 0.030 . 2 . . . . 74 LYS HB3 . 11132 1 857 . 1 1 74 74 LYS HD2 H 1 1.557 0.030 . 1 . . . . 74 LYS HD2 . 11132 1 858 . 1 1 74 74 LYS HD3 H 1 1.557 0.030 . 1 . . . . 74 LYS HD3 . 11132 1 859 . 1 1 74 74 LYS HE2 H 1 2.882 0.030 . 1 . . . . 74 LYS HE2 . 11132 1 860 . 1 1 74 74 LYS HE3 H 1 2.882 0.030 . 1 . . . . 74 LYS HE3 . 11132 1 861 . 1 1 74 74 LYS HG2 H 1 1.270 0.030 . 2 . . . . 74 LYS HG2 . 11132 1 862 . 1 1 74 74 LYS HG3 H 1 1.326 0.030 . 2 . . . . 74 LYS HG3 . 11132 1 863 . 1 1 74 74 LYS C C 13 173.724 0.300 . 1 . . . . 74 LYS C . 11132 1 864 . 1 1 74 74 LYS CA C 13 53.475 0.300 . 1 . . . . 74 LYS CA . 11132 1 865 . 1 1 74 74 LYS CB C 13 30.917 0.300 . 1 . . . . 74 LYS CB . 11132 1 866 . 1 1 74 74 LYS CD C 13 26.799 0.300 . 1 . . . . 74 LYS CD . 11132 1 867 . 1 1 74 74 LYS CE C 13 39.644 0.300 . 1 . . . . 74 LYS CE . 11132 1 868 . 1 1 74 74 LYS CG C 13 22.222 0.300 . 1 . . . . 74 LYS CG . 11132 1 869 . 1 1 74 74 LYS N N 15 119.667 0.300 . 1 . . . . 74 LYS N . 11132 1 870 . 1 1 75 75 ASP H H 1 8.280 0.030 . 1 . . . . 75 ASP H . 11132 1 871 . 1 1 75 75 ASP HA H 1 4.754 0.030 . 1 . . . . 75 ASP HA . 11132 1 872 . 1 1 75 75 ASP HB2 H 1 2.445 0.030 . 2 . . . . 75 ASP HB2 . 11132 1 873 . 1 1 75 75 ASP HB3 H 1 2.641 0.030 . 2 . . . . 75 ASP HB3 . 11132 1 874 . 1 1 75 75 ASP C C 13 172.253 0.300 . 1 . . . . 75 ASP C . 11132 1 875 . 1 1 75 75 ASP CA C 13 50.160 0.300 . 1 . . . . 75 ASP CA . 11132 1 876 . 1 1 75 75 ASP CB C 13 38.778 0.300 . 1 . . . . 75 ASP CB . 11132 1 877 . 1 1 75 75 ASP N N 15 122.738 0.300 . 1 . . . . 75 ASP N . 11132 1 878 . 1 1 76 76 PRO HA H 1 4.358 0.030 . 1 . . . . 76 PRO HA . 11132 1 879 . 1 1 76 76 PRO HB2 H 1 2.159 0.030 . 2 . . . . 76 PRO HB2 . 11132 1 880 . 1 1 76 76 PRO HB3 H 1 1.894 0.030 . 2 . . . . 76 PRO HB3 . 11132 1 881 . 1 1 76 76 PRO HD2 H 1 3.704 0.030 . 2 . . . . 76 PRO HD2 . 11132 1 882 . 1 1 76 76 PRO HD3 H 1 3.753 0.030 . 2 . . . . 76 PRO HD3 . 11132 1 883 . 1 1 76 76 PRO HG2 H 1 1.933 0.030 . 1 . . . . 76 PRO HG2 . 11132 1 884 . 1 1 76 76 PRO HG3 H 1 1.933 0.030 . 1 . . . . 76 PRO HG3 . 11132 1 885 . 1 1 76 76 PRO C C 13 174.914 0.300 . 1 . . . . 76 PRO C . 11132 1 886 . 1 1 76 76 PRO CA C 13 61.128 0.300 . 1 . . . . 76 PRO CA . 11132 1 887 . 1 1 76 76 PRO CB C 13 29.906 0.300 . 1 . . . . 76 PRO CB . 11132 1 888 . 1 1 76 76 PRO CD C 13 48.349 0.300 . 1 . . . . 76 PRO CD . 11132 1 889 . 1 1 76 76 PRO CG C 13 24.777 0.300 . 1 . . . . 76 PRO CG . 11132 1 890 . 1 1 77 77 GLY H H 1 8.264 0.030 . 1 . . . . 77 GLY H . 11132 1 891 . 1 1 77 77 GLY HA2 H 1 3.991 0.030 . 1 . . . . 77 GLY HA2 . 11132 1 892 . 1 1 77 77 GLY HA3 H 1 3.991 0.030 . 1 . . . . 77 GLY HA3 . 11132 1 893 . 1 1 77 77 GLY C C 13 169.655 0.300 . 1 . . . . 77 GLY C . 11132 1 894 . 1 1 77 77 GLY CA C 13 42.226 0.300 . 1 . . . . 77 GLY CA . 11132 1 895 . 1 1 77 77 GLY N N 15 108.737 0.300 . 1 . . . . 77 GLY N . 11132 1 896 . 1 1 78 78 PRO HA H 1 4.357 0.030 . 1 . . . . 78 PRO HA . 11132 1 897 . 1 1 78 78 PRO HB2 H 1 2.212 0.030 . 2 . . . . 78 PRO HB2 . 11132 1 898 . 1 1 78 78 PRO HB3 H 1 1.884 0.030 . 2 . . . . 78 PRO HB3 . 11132 1 899 . 1 1 78 78 PRO HD2 H 1 3.548 0.030 . 1 . . . . 78 PRO HD2 . 11132 1 900 . 1 1 78 78 PRO HD3 H 1 3.548 0.030 . 1 . . . . 78 PRO HD3 . 11132 1 901 . 1 1 78 78 PRO HG2 H 1 1.934 0.030 . 1 . . . . 78 PRO HG2 . 11132 1 902 . 1 1 78 78 PRO HG3 H 1 1.934 0.030 . 1 . . . . 78 PRO HG3 . 11132 1 903 . 1 1 78 78 PRO CA C 13 61.139 0.300 . 1 . . . . 78 PRO CA . 11132 1 904 . 1 1 78 78 PRO CB C 13 29.979 0.300 . 1 . . . . 78 PRO CB . 11132 1 905 . 1 1 78 78 PRO CD C 13 47.457 0.300 . 1 . . . . 78 PRO CD . 11132 1 906 . 1 1 78 78 PRO CG C 13 24.892 0.300 . 1 . . . . 78 PRO CG . 11132 1 907 . 1 1 79 79 SER H H 1 8.373 0.030 . 1 . . . . 79 SER H . 11132 1 908 . 1 1 79 79 SER HA H 1 4.333 0.030 . 1 . . . . 79 SER HA . 11132 1 909 . 1 1 79 79 SER HB2 H 1 3.790 0.030 . 1 . . . . 79 SER HB2 . 11132 1 910 . 1 1 79 79 SER HB3 H 1 3.790 0.030 . 1 . . . . 79 SER HB3 . 11132 1 911 . 1 1 79 79 SER C C 13 172.504 0.300 . 1 . . . . 79 SER C . 11132 1 912 . 1 1 79 79 SER CA C 13 56.391 0.300 . 1 . . . . 79 SER CA . 11132 1 913 . 1 1 79 79 SER CB C 13 61.206 0.300 . 1 . . . . 79 SER CB . 11132 1 914 . 1 1 79 79 SER N N 15 115.672 0.300 . 1 . . . . 79 SER N . 11132 1 915 . 1 1 80 80 GLU H H 1 8.309 0.030 . 1 . . . . 80 GLU H . 11132 1 916 . 1 1 80 80 GLU HA H 1 4.213 0.030 . 1 . . . . 80 GLU HA . 11132 1 917 . 1 1 80 80 GLU HB2 H 1 1.863 0.030 . 2 . . . . 80 GLU HB2 . 11132 1 918 . 1 1 80 80 GLU HB3 H 1 1.975 0.030 . 2 . . . . 80 GLU HB3 . 11132 1 919 . 1 1 80 80 GLU HG2 H 1 2.184 0.030 . 1 . . . . 80 GLU HG2 . 11132 1 920 . 1 1 80 80 GLU HG3 H 1 2.184 0.030 . 1 . . . . 80 GLU HG3 . 11132 1 921 . 1 1 80 80 GLU C C 13 174.146 0.300 . 1 . . . . 80 GLU C . 11132 1 922 . 1 1 80 80 GLU CA C 13 54.374 0.300 . 1 . . . . 80 GLU CA . 11132 1 923 . 1 1 80 80 GLU CB C 13 27.909 0.300 . 1 . . . . 80 GLU CB . 11132 1 924 . 1 1 80 80 GLU CG C 13 33.875 0.300 . 1 . . . . 80 GLU CG . 11132 1 925 . 1 1 80 80 GLU N N 15 122.342 0.300 . 1 . . . . 80 GLU N . 11132 1 926 . 1 1 81 81 LYS H H 1 8.167 0.030 . 1 . . . . 81 LYS H . 11132 1 927 . 1 1 81 81 LYS HA H 1 4.208 0.030 . 1 . . . . 81 LYS HA . 11132 1 928 . 1 1 81 81 LYS HB2 H 1 1.665 0.030 . 2 . . . . 81 LYS HB2 . 11132 1 929 . 1 1 81 81 LYS HB3 H 1 1.750 0.030 . 2 . . . . 81 LYS HB3 . 11132 1 930 . 1 1 81 81 LYS HD2 H 1 1.606 0.030 . 1 . . . . 81 LYS HD2 . 11132 1 931 . 1 1 81 81 LYS HD3 H 1 1.606 0.030 . 1 . . . . 81 LYS HD3 . 11132 1 932 . 1 1 81 81 LYS HE2 H 1 2.918 0.030 . 1 . . . . 81 LYS HE2 . 11132 1 933 . 1 1 81 81 LYS HE3 H 1 2.918 0.030 . 1 . . . . 81 LYS HE3 . 11132 1 934 . 1 1 81 81 LYS HG2 H 1 1.334 0.030 . 2 . . . . 81 LYS HG2 . 11132 1 935 . 1 1 81 81 LYS HG3 H 1 1.393 0.030 . 2 . . . . 81 LYS HG3 . 11132 1 936 . 1 1 81 81 LYS C C 13 174.161 0.300 . 1 . . . . 81 LYS C . 11132 1 937 . 1 1 81 81 LYS CA C 13 54.172 0.300 . 1 . . . . 81 LYS CA . 11132 1 938 . 1 1 81 81 LYS CB C 13 30.628 0.300 . 1 . . . . 81 LYS CB . 11132 1 939 . 1 1 81 81 LYS CD C 13 26.673 0.300 . 1 . . . . 81 LYS CD . 11132 1 940 . 1 1 81 81 LYS CE C 13 39.841 0.300 . 1 . . . . 81 LYS CE . 11132 1 941 . 1 1 81 81 LYS CG C 13 22.469 0.300 . 1 . . . . 81 LYS CG . 11132 1 942 . 1 1 81 81 LYS N N 15 121.453 0.300 . 1 . . . . 81 LYS N . 11132 1 943 . 1 1 82 82 GLN H H 1 8.217 0.030 . 1 . . . . 82 GLN H . 11132 1 944 . 1 1 82 82 GLN HA H 1 4.214 0.030 . 1 . . . . 82 GLN HA . 11132 1 945 . 1 1 82 82 GLN HB2 H 1 1.887 0.030 . 1 . . . . 82 GLN HB2 . 11132 1 946 . 1 1 82 82 GLN HB3 H 1 1.887 0.030 . 1 . . . . 82 GLN HB3 . 11132 1 947 . 1 1 82 82 GLN HE21 H 1 6.781 0.030 . 2 . . . . 82 GLN HE21 . 11132 1 948 . 1 1 82 82 GLN HE22 H 1 7.456 0.030 . 2 . . . . 82 GLN HE22 . 11132 1 949 . 1 1 82 82 GLN HG2 H 1 2.276 0.030 . 1 . . . . 82 GLN HG2 . 11132 1 950 . 1 1 82 82 GLN HG3 H 1 2.276 0.030 . 1 . . . . 82 GLN HG3 . 11132 1 951 . 1 1 82 82 GLN C C 13 173.366 0.300 . 1 . . . . 82 GLN C . 11132 1 952 . 1 1 82 82 GLN CA C 13 53.282 0.300 . 1 . . . . 82 GLN CA . 11132 1 953 . 1 1 82 82 GLN CB C 13 27.167 0.300 . 1 . . . . 82 GLN CB . 11132 1 954 . 1 1 82 82 GLN CG C 13 31.484 0.300 . 1 . . . . 82 GLN CG . 11132 1 955 . 1 1 82 82 GLN N N 15 120.867 0.300 . 1 . . . . 82 GLN N . 11132 1 956 . 1 1 82 82 GLN NE2 N 15 112.370 0.300 . 1 . . . . 82 GLN NE2 . 11132 1 957 . 1 1 83 83 LYS H H 1 8.263 0.030 . 1 . . . . 83 LYS H . 11132 1 958 . 1 1 83 83 LYS HA H 1 4.479 0.030 . 1 . . . . 83 LYS HA . 11132 1 959 . 1 1 83 83 LYS HB2 H 1 1.636 0.030 . 2 . . . . 83 LYS HB2 . 11132 1 960 . 1 1 83 83 LYS HB3 H 1 1.743 0.030 . 2 . . . . 83 LYS HB3 . 11132 1 961 . 1 1 83 83 LYS HD2 H 1 1.600 0.030 . 1 . . . . 83 LYS HD2 . 11132 1 962 . 1 1 83 83 LYS HD3 H 1 1.600 0.030 . 1 . . . . 83 LYS HD3 . 11132 1 963 . 1 1 83 83 LYS HE2 H 1 2.911 0.030 . 1 . . . . 83 LYS HE2 . 11132 1 964 . 1 1 83 83 LYS HE3 H 1 2.911 0.030 . 1 . . . . 83 LYS HE3 . 11132 1 965 . 1 1 83 83 LYS HG2 H 1 1.374 0.030 . 2 . . . . 83 LYS HG2 . 11132 1 966 . 1 1 83 83 LYS HG3 H 1 1.420 0.030 . 2 . . . . 83 LYS HG3 . 11132 1 967 . 1 1 83 83 LYS C C 13 172.059 0.300 . 1 . . . . 83 LYS C . 11132 1 968 . 1 1 83 83 LYS CA C 13 52.078 0.300 . 1 . . . . 83 LYS CA . 11132 1 969 . 1 1 83 83 LYS CB C 13 30.052 0.300 . 1 . . . . 83 LYS CB . 11132 1 970 . 1 1 83 83 LYS CD C 13 26.981 0.300 . 1 . . . . 83 LYS CD . 11132 1 971 . 1 1 83 83 LYS CE C 13 39.881 0.300 . 1 . . . . 83 LYS CE . 11132 1 972 . 1 1 83 83 LYS CG C 13 22.257 0.300 . 1 . . . . 83 LYS CG . 11132 1 973 . 1 1 83 83 LYS N N 15 124.097 0.300 . 1 . . . . 83 LYS N . 11132 1 974 . 1 1 84 84 PRO HA H 1 4.318 0.030 . 1 . . . . 84 PRO HA . 11132 1 975 . 1 1 84 84 PRO HB2 H 1 1.642 0.030 . 2 . . . . 84 PRO HB2 . 11132 1 976 . 1 1 84 84 PRO HB3 H 1 2.124 0.030 . 2 . . . . 84 PRO HB3 . 11132 1 977 . 1 1 84 84 PRO HD2 H 1 3.741 0.030 . 2 . . . . 84 PRO HD2 . 11132 1 978 . 1 1 84 84 PRO HD3 H 1 3.545 0.030 . 2 . . . . 84 PRO HD3 . 11132 1 979 . 1 1 84 84 PRO HG2 H 1 1.919 0.030 . 1 . . . . 84 PRO HG2 . 11132 1 980 . 1 1 84 84 PRO HG3 H 1 1.919 0.030 . 1 . . . . 84 PRO HG3 . 11132 1 981 . 1 1 84 84 PRO C C 13 174.111 0.300 . 1 . . . . 84 PRO C . 11132 1 982 . 1 1 84 84 PRO CA C 13 60.634 0.300 . 1 . . . . 84 PRO CA . 11132 1 983 . 1 1 84 84 PRO CB C 13 29.730 0.300 . 1 . . . . 84 PRO CB . 11132 1 984 . 1 1 84 84 PRO CD C 13 48.329 0.300 . 1 . . . . 84 PRO CD . 11132 1 985 . 1 1 84 84 PRO CG C 13 24.900 0.300 . 1 . . . . 84 PRO CG . 11132 1 986 . 1 1 85 85 VAL H H 1 8.054 0.030 . 1 . . . . 85 VAL H . 11132 1 987 . 1 1 85 85 VAL HA H 1 3.955 0.030 . 1 . . . . 85 VAL HA . 11132 1 988 . 1 1 85 85 VAL HB H 1 1.882 0.030 . 1 . . . . 85 VAL HB . 11132 1 989 . 1 1 85 85 VAL HG11 H 1 0.811 0.030 . 1 . . . . 85 VAL HG1 . 11132 1 990 . 1 1 85 85 VAL HG12 H 1 0.811 0.030 . 1 . . . . 85 VAL HG1 . 11132 1 991 . 1 1 85 85 VAL HG13 H 1 0.811 0.030 . 1 . . . . 85 VAL HG1 . 11132 1 992 . 1 1 85 85 VAL HG21 H 1 0.764 0.030 . 1 . . . . 85 VAL HG2 . 11132 1 993 . 1 1 85 85 VAL HG22 H 1 0.764 0.030 . 1 . . . . 85 VAL HG2 . 11132 1 994 . 1 1 85 85 VAL HG23 H 1 0.764 0.030 . 1 . . . . 85 VAL HG2 . 11132 1 995 . 1 1 85 85 VAL C C 13 173.513 0.300 . 1 . . . . 85 VAL C . 11132 1 996 . 1 1 85 85 VAL CA C 13 59.830 0.300 . 1 . . . . 85 VAL CA . 11132 1 997 . 1 1 85 85 VAL CB C 13 30.662 0.300 . 1 . . . . 85 VAL CB . 11132 1 998 . 1 1 85 85 VAL CG1 C 13 18.205 0.300 . 2 . . . . 85 VAL CG1 . 11132 1 999 . 1 1 85 85 VAL CG2 C 13 18.835 0.300 . 2 . . . . 85 VAL CG2 . 11132 1 1000 . 1 1 85 85 VAL N N 15 119.763 0.300 . 1 . . . . 85 VAL N . 11132 1 1001 . 1 1 86 86 PHE H H 1 8.276 0.030 . 1 . . . . 86 PHE H . 11132 1 1002 . 1 1 86 86 PHE HA H 1 4.664 0.030 . 1 . . . . 86 PHE HA . 11132 1 1003 . 1 1 86 86 PHE HB2 H 1 2.930 0.030 . 2 . . . . 86 PHE HB2 . 11132 1 1004 . 1 1 86 86 PHE HB3 H 1 3.065 0.030 . 2 . . . . 86 PHE HB3 . 11132 1 1005 . 1 1 86 86 PHE HD1 H 1 7.174 0.030 . 1 . . . . 86 PHE HD1 . 11132 1 1006 . 1 1 86 86 PHE HD2 H 1 7.174 0.030 . 1 . . . . 86 PHE HD2 . 11132 1 1007 . 1 1 86 86 PHE HE1 H 1 7.244 0.030 . 1 . . . . 86 PHE HE1 . 11132 1 1008 . 1 1 86 86 PHE HE2 H 1 7.244 0.030 . 1 . . . . 86 PHE HE2 . 11132 1 1009 . 1 1 86 86 PHE HZ H 1 7.176 0.030 . 1 . . . . 86 PHE HZ . 11132 1 1010 . 1 1 86 86 PHE C C 13 173.379 0.300 . 1 . . . . 86 PHE C . 11132 1 1011 . 1 1 86 86 PHE CA C 13 55.062 0.300 . 1 . . . . 86 PHE CA . 11132 1 1012 . 1 1 86 86 PHE CB C 13 37.555 0.300 . 1 . . . . 86 PHE CB . 11132 1 1013 . 1 1 86 86 PHE CD1 C 13 129.304 0.300 . 1 . . . . 86 PHE CD1 . 11132 1 1014 . 1 1 86 86 PHE CD2 C 13 129.304 0.300 . 1 . . . . 86 PHE CD2 . 11132 1 1015 . 1 1 86 86 PHE CE1 C 13 129.304 0.300 . 1 . . . . 86 PHE CE1 . 11132 1 1016 . 1 1 86 86 PHE CE2 C 13 129.304 0.300 . 1 . . . . 86 PHE CE2 . 11132 1 1017 . 1 1 86 86 PHE CZ C 13 127.408 0.300 . 1 . . . . 86 PHE CZ . 11132 1 1018 . 1 1 86 86 PHE N N 15 123.672 0.300 . 1 . . . . 86 PHE N . 11132 1 1019 . 1 1 87 87 THR H H 1 8.040 0.030 . 1 . . . . 87 THR H . 11132 1 1020 . 1 1 87 87 THR HA H 1 4.283 0.030 . 1 . . . . 87 THR HA . 11132 1 1021 . 1 1 87 87 THR HB H 1 4.114 0.030 . 1 . . . . 87 THR HB . 11132 1 1022 . 1 1 87 87 THR HG21 H 1 1.077 0.030 . 1 . . . . 87 THR HG2 . 11132 1 1023 . 1 1 87 87 THR HG22 H 1 1.077 0.030 . 1 . . . . 87 THR HG2 . 11132 1 1024 . 1 1 87 87 THR HG23 H 1 1.077 0.030 . 1 . . . . 87 THR HG2 . 11132 1 1025 . 1 1 87 87 THR C C 13 171.649 0.300 . 1 . . . . 87 THR C . 11132 1 1026 . 1 1 87 87 THR CA C 13 59.065 0.300 . 1 . . . . 87 THR CA . 11132 1 1027 . 1 1 87 87 THR CB C 13 67.656 0.300 . 1 . . . . 87 THR CB . 11132 1 1028 . 1 1 87 87 THR CG2 C 13 19.086 0.300 . 1 . . . . 87 THR CG2 . 11132 1 1029 . 1 1 87 87 THR N N 15 116.035 0.300 . 1 . . . . 87 THR N . 11132 1 1030 . 1 1 88 88 SER H H 1 8.176 0.030 . 1 . . . . 88 SER H . 11132 1 1031 . 1 1 88 88 SER HA H 1 4.377 0.030 . 1 . . . . 88 SER HA . 11132 1 1032 . 1 1 88 88 SER HB2 H 1 3.783 0.030 . 1 . . . . 88 SER HB2 . 11132 1 1033 . 1 1 88 88 SER HB3 H 1 3.783 0.030 . 1 . . . . 88 SER HB3 . 11132 1 1034 . 1 1 88 88 SER C C 13 172.132 0.300 . 1 . . . . 88 SER C . 11132 1 1035 . 1 1 88 88 SER CA C 13 55.944 0.300 . 1 . . . . 88 SER CA . 11132 1 1036 . 1 1 88 88 SER CB C 13 61.371 0.300 . 1 . . . . 88 SER CB . 11132 1 1037 . 1 1 88 88 SER N N 15 117.609 0.300 . 1 . . . . 88 SER N . 11132 1 1038 . 1 1 89 89 GLY H H 1 8.165 0.030 . 1 . . . . 89 GLY H . 11132 1 1039 . 1 1 89 89 GLY HA2 H 1 4.057 0.030 . 1 . . . . 89 GLY HA2 . 11132 1 1040 . 1 1 89 89 GLY HA3 H 1 4.057 0.030 . 1 . . . . 89 GLY HA3 . 11132 1 1041 . 1 1 89 89 GLY C C 13 169.363 0.300 . 1 . . . . 89 GLY C . 11132 1 1042 . 1 1 89 89 GLY CA C 13 42.261 0.300 . 1 . . . . 89 GLY CA . 11132 1 1043 . 1 1 89 89 GLY N N 15 110.330 0.300 . 1 . . . . 89 GLY N . 11132 1 1044 . 1 1 92 92 SER HA H 1 4.377 0.030 . 1 . . . . 92 SER HA . 11132 1 1045 . 1 1 92 92 SER HB2 H 1 3.794 0.030 . 1 . . . . 92 SER HB2 . 11132 1 1046 . 1 1 92 92 SER HB3 H 1 3.794 0.030 . 1 . . . . 92 SER HB3 . 11132 1 1047 . 1 1 92 92 SER C C 13 171.589 0.300 . 1 . . . . 92 SER C . 11132 1 1048 . 1 1 92 92 SER CA C 13 55.979 0.300 . 1 . . . . 92 SER CA . 11132 1 1049 . 1 1 92 92 SER CB C 13 61.453 0.300 . 1 . . . . 92 SER CB . 11132 1 1050 . 1 1 93 93 GLY H H 1 7.956 0.030 . 1 . . . . 93 GLY H . 11132 1 1051 . 1 1 93 93 GLY HA2 H 1 3.674 0.030 . 2 . . . . 93 GLY HA2 . 11132 1 1052 . 1 1 93 93 GLY HA3 H 1 3.714 0.030 . 2 . . . . 93 GLY HA3 . 11132 1 1053 . 1 1 93 93 GLY C C 13 176.697 0.300 . 1 . . . . 93 GLY C . 11132 1 1054 . 1 1 93 93 GLY CA C 13 43.918 0.300 . 1 . . . . 93 GLY CA . 11132 1 1055 . 1 1 93 93 GLY N N 15 116.476 0.300 . 1 . . . . 93 GLY N . 11132 1 stop_ save_