data_11389 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11389 _Entry.Title ; Solution structure of the ARID domain of JARID1D protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-08 _Entry.Accession_date 2010-09-08 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _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 W. Tanabe . . . 11389 2 S. Suzuki . . . 11389 3 Y. Muto . . . 11389 4 M. Inoue . . . 11389 5 T. Kigawa . . . 11389 6 T. Terada . . . 11389 7 M. Shirouzu . . . 11389 8 S. Yokoyama . . . 11389 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)' . 11389 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11389 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 11389 '15N chemical shifts' 95 11389 '1H chemical shifts' 702 11389 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 . . 2011-09-07 2010-09-08 original author . 11389 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11389 _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 ARID domain of JARID1D protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. Tanabe . . . 11389 1 2 S. Suzuki . . . 11389 1 3 Y. Muto . . . 11389 1 4 M. Inoue . . . 11389 1 5 T. Kigawa . . . 11389 1 6 T. Terada . . . 11389 1 7 M. Shirouzu . . . 11389 1 8 S. Yokoyama . . . 11389 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11389 _Assembly.ID 1 _Assembly.Name 'Jumonji/ARID domain-containing protein 1D' _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 'ARID domain' 1 $entity_1 A . yes native no no . . . 11389 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 2yqe . . . . . . 11389 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11389 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ARID 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 ; GSSGSSGTRVKLNYLDQIAK FWEIQGSSLKIPNVERKILD LYSLSKIVIEEGGYEAICKD RRWARVAQRLHYPPGKNIGS LLRSHYERIIYPYEMFQSGA ; _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 100 _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 2YQE . "Solution Structure Of The Arid Domain Of Jarid1d Protein" . . . . . 100.00 100 100.00 100.00 1.79e-65 . . . . 11389 1 2 no DBJ BAG64942 . "unnamed protein product [Homo sapiens]" . . . . . 93.00 888 100.00 100.00 9.97e-58 . . . . 11389 1 3 no EMBL CAH90475 . "hypothetical protein [Pongo abelii]" . . . . . 93.00 1088 100.00 100.00 4.81e-57 . . . . 11389 1 4 no GB AAC48699 . "SMCY, partial [Equus caballus]" . . . . . 93.00 345 97.85 100.00 4.46e-57 . . . . 11389 1 5 no GB AAC50806 . "SMCY [Homo sapiens]" . . . . . 93.00 1539 100.00 100.00 1.49e-56 . . . . 11389 1 6 no GB AAC51135 . "SMCY, partial [Homo sapiens]" . . . . . 93.00 457 100.00 100.00 1.55e-57 . . . . 11389 1 7 no GB AAG00951 . "SMCY [Homo sapiens]" . . . . . 93.00 1539 100.00 100.00 1.38e-56 . . . . 11389 1 8 no GB AAI32722 . "Jumonji, AT rich interactive domain 1D [Homo sapiens]" . . . . . 93.00 1539 100.00 100.00 1.38e-56 . . . . 11389 1 9 no REF NP_001008975 . "lysine-specific demethylase 5D [Pan troglodytes]" . . . . . 93.00 1535 100.00 100.00 1.57e-56 . . . . 11389 1 10 no REF NP_001140177 . "lysine-specific demethylase 5D isoform 1 [Homo sapiens]" . . . . . 93.00 1570 100.00 100.00 1.63e-56 . . . . 11389 1 11 no REF NP_004644 . "lysine-specific demethylase 5D isoform 2 [Homo sapiens]" . . . . . 93.00 1539 100.00 100.00 1.38e-56 . . . . 11389 1 12 no REF XP_005262617 . "PREDICTED: lysine-specific demethylase 5D isoform X2 [Homo sapiens]" . . . . . 93.00 1494 100.00 100.00 1.16e-56 . . . . 11389 1 13 no REF XP_005262618 . "PREDICTED: lysine-specific demethylase 5D isoform X3 [Homo sapiens]" . . . . . 93.00 1462 100.00 100.00 1.11e-56 . . . . 11389 1 14 no SP Q5XUN4 . "RecName: Full=Lysine-specific demethylase 5D; AltName: Full=Histone demethylase JARID1D; AltName: Full=Jumonji/ARID domain-cont" . . . . . 93.00 1535 100.00 100.00 1.57e-56 . . . . 11389 1 15 no SP Q9BY66 . "RecName: Full=Lysine-specific demethylase 5D; AltName: Full=Histocompatibility Y antigen; Short=H-Y; AltName: Full=Histone deme" . . . . . 93.00 1539 100.00 100.00 1.38e-56 . . . . 11389 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ARID domain' . 11389 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 . 11389 1 2 . SER . 11389 1 3 . SER . 11389 1 4 . GLY . 11389 1 5 . SER . 11389 1 6 . SER . 11389 1 7 . GLY . 11389 1 8 . THR . 11389 1 9 . ARG . 11389 1 10 . VAL . 11389 1 11 . LYS . 11389 1 12 . LEU . 11389 1 13 . ASN . 11389 1 14 . TYR . 11389 1 15 . LEU . 11389 1 16 . ASP . 11389 1 17 . GLN . 11389 1 18 . ILE . 11389 1 19 . ALA . 11389 1 20 . LYS . 11389 1 21 . PHE . 11389 1 22 . TRP . 11389 1 23 . GLU . 11389 1 24 . ILE . 11389 1 25 . GLN . 11389 1 26 . GLY . 11389 1 27 . SER . 11389 1 28 . SER . 11389 1 29 . LEU . 11389 1 30 . LYS . 11389 1 31 . ILE . 11389 1 32 . PRO . 11389 1 33 . ASN . 11389 1 34 . VAL . 11389 1 35 . GLU . 11389 1 36 . ARG . 11389 1 37 . LYS . 11389 1 38 . ILE . 11389 1 39 . LEU . 11389 1 40 . ASP . 11389 1 41 . LEU . 11389 1 42 . TYR . 11389 1 43 . SER . 11389 1 44 . LEU . 11389 1 45 . SER . 11389 1 46 . LYS . 11389 1 47 . ILE . 11389 1 48 . VAL . 11389 1 49 . ILE . 11389 1 50 . GLU . 11389 1 51 . GLU . 11389 1 52 . GLY . 11389 1 53 . GLY . 11389 1 54 . TYR . 11389 1 55 . GLU . 11389 1 56 . ALA . 11389 1 57 . ILE . 11389 1 58 . CYS . 11389 1 59 . LYS . 11389 1 60 . ASP . 11389 1 61 . ARG . 11389 1 62 . ARG . 11389 1 63 . TRP . 11389 1 64 . ALA . 11389 1 65 . ARG . 11389 1 66 . VAL . 11389 1 67 . ALA . 11389 1 68 . GLN . 11389 1 69 . ARG . 11389 1 70 . LEU . 11389 1 71 . HIS . 11389 1 72 . TYR . 11389 1 73 . PRO . 11389 1 74 . PRO . 11389 1 75 . GLY . 11389 1 76 . LYS . 11389 1 77 . ASN . 11389 1 78 . ILE . 11389 1 79 . GLY . 11389 1 80 . SER . 11389 1 81 . LEU . 11389 1 82 . LEU . 11389 1 83 . ARG . 11389 1 84 . SER . 11389 1 85 . HIS . 11389 1 86 . TYR . 11389 1 87 . GLU . 11389 1 88 . ARG . 11389 1 89 . ILE . 11389 1 90 . ILE . 11389 1 91 . TYR . 11389 1 92 . PRO . 11389 1 93 . TYR . 11389 1 94 . GLU . 11389 1 95 . MET . 11389 1 96 . PHE . 11389 1 97 . GLN . 11389 1 98 . SER . 11389 1 99 . GLY . 11389 1 100 . ALA . 11389 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 11389 1 . SER 2 2 11389 1 . SER 3 3 11389 1 . GLY 4 4 11389 1 . SER 5 5 11389 1 . SER 6 6 11389 1 . GLY 7 7 11389 1 . THR 8 8 11389 1 . ARG 9 9 11389 1 . VAL 10 10 11389 1 . LYS 11 11 11389 1 . LEU 12 12 11389 1 . ASN 13 13 11389 1 . TYR 14 14 11389 1 . LEU 15 15 11389 1 . ASP 16 16 11389 1 . GLN 17 17 11389 1 . ILE 18 18 11389 1 . ALA 19 19 11389 1 . LYS 20 20 11389 1 . PHE 21 21 11389 1 . TRP 22 22 11389 1 . GLU 23 23 11389 1 . ILE 24 24 11389 1 . GLN 25 25 11389 1 . GLY 26 26 11389 1 . SER 27 27 11389 1 . SER 28 28 11389 1 . LEU 29 29 11389 1 . LYS 30 30 11389 1 . ILE 31 31 11389 1 . PRO 32 32 11389 1 . ASN 33 33 11389 1 . VAL 34 34 11389 1 . GLU 35 35 11389 1 . ARG 36 36 11389 1 . LYS 37 37 11389 1 . ILE 38 38 11389 1 . LEU 39 39 11389 1 . ASP 40 40 11389 1 . LEU 41 41 11389 1 . TYR 42 42 11389 1 . SER 43 43 11389 1 . LEU 44 44 11389 1 . SER 45 45 11389 1 . LYS 46 46 11389 1 . ILE 47 47 11389 1 . VAL 48 48 11389 1 . ILE 49 49 11389 1 . GLU 50 50 11389 1 . GLU 51 51 11389 1 . GLY 52 52 11389 1 . GLY 53 53 11389 1 . TYR 54 54 11389 1 . GLU 55 55 11389 1 . ALA 56 56 11389 1 . ILE 57 57 11389 1 . CYS 58 58 11389 1 . LYS 59 59 11389 1 . ASP 60 60 11389 1 . ARG 61 61 11389 1 . ARG 62 62 11389 1 . TRP 63 63 11389 1 . ALA 64 64 11389 1 . ARG 65 65 11389 1 . VAL 66 66 11389 1 . ALA 67 67 11389 1 . GLN 68 68 11389 1 . ARG 69 69 11389 1 . LEU 70 70 11389 1 . HIS 71 71 11389 1 . TYR 72 72 11389 1 . PRO 73 73 11389 1 . PRO 74 74 11389 1 . GLY 75 75 11389 1 . LYS 76 76 11389 1 . ASN 77 77 11389 1 . ILE 78 78 11389 1 . GLY 79 79 11389 1 . SER 80 80 11389 1 . LEU 81 81 11389 1 . LEU 82 82 11389 1 . ARG 83 83 11389 1 . SER 84 84 11389 1 . HIS 85 85 11389 1 . TYR 86 86 11389 1 . GLU 87 87 11389 1 . ARG 88 88 11389 1 . ILE 89 89 11389 1 . ILE 90 90 11389 1 . TYR 91 91 11389 1 . PRO 92 92 11389 1 . TYR 93 93 11389 1 . GLU 94 94 11389 1 . MET 95 95 11389 1 . PHE 96 96 11389 1 . GLN 97 97 11389 1 . SER 98 98 11389 1 . GLY 99 99 11389 1 . ALA 100 100 11389 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 11389 _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 . . . . . . . . . . . . . . . . . . . . . 11389 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 11389 _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 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . plasmid . . P060731-15 . . . . . . 11389 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11389 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 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 'ARID domain' . . . 1 $entity_1 . protein . . . mM . . . . 11389 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11389 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11389 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11389 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11389 1 6 H2O . . . . . . solvent 90 . . % . . . . 11389 1 7 D2O . . . . . . solvent 10 . . % . . . . 11389 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 11389 _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 11389 1 pH 7.0 0.05 pH 11389 1 pressure 1 0.001 atm 11389 1 temperature 298 0.1 K 11389 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11389 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11389 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11389 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11389 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11389 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11389 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11389 _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' . . 11389 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11389 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11389 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11389 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11389 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11389 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11389 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11389 5 'structure solution' 11389 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 11389 _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 11389 _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 . . . 11389 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 11389 _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 . . . . . . . . . . . . . . . . 11389 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11389 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 11389 _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 . . . . . . . . . 11389 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11389 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11389 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 11389 _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 11389 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11389 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 . . 11389 1 2 $NMRPipe . . 11389 1 3 $NMRView . . 11389 1 4 $Kujira . . 11389 1 5 $CYANA . . 11389 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 THR HA H 1 4.200 0.030 . 1 . . . . 8 THR HA . 11389 1 2 . 1 1 8 8 THR HB H 1 4.265 0.030 . 1 . . . . 8 THR HB . 11389 1 3 . 1 1 8 8 THR HG21 H 1 1.242 0.030 . 1 . . . . 8 THR HG2 . 11389 1 4 . 1 1 8 8 THR HG22 H 1 1.242 0.030 . 1 . . . . 8 THR HG2 . 11389 1 5 . 1 1 8 8 THR HG23 H 1 1.242 0.030 . 1 . . . . 8 THR HG2 . 11389 1 6 . 1 1 8 8 THR CA C 13 63.321 0.300 . 1 . . . . 8 THR CA . 11389 1 7 . 1 1 8 8 THR CB C 13 69.512 0.300 . 1 . . . . 8 THR CB . 11389 1 8 . 1 1 8 8 THR CG2 C 13 21.959 0.300 . 1 . . . . 8 THR CG2 . 11389 1 9 . 1 1 9 9 ARG HA H 1 4.185 0.030 . 1 . . . . 9 ARG HA . 11389 1 10 . 1 1 9 9 ARG HB2 H 1 1.863 0.030 . 2 . . . . 9 ARG HB2 . 11389 1 11 . 1 1 9 9 ARG HB3 H 1 1.929 0.030 . 2 . . . . 9 ARG HB3 . 11389 1 12 . 1 1 9 9 ARG HD2 H 1 3.219 0.030 . 1 . . . . 9 ARG HD2 . 11389 1 13 . 1 1 9 9 ARG HD3 H 1 3.219 0.030 . 1 . . . . 9 ARG HD3 . 11389 1 14 . 1 1 9 9 ARG HG2 H 1 1.689 0.030 . 1 . . . . 9 ARG HG2 . 11389 1 15 . 1 1 9 9 ARG HG3 H 1 1.689 0.030 . 1 . . . . 9 ARG HG3 . 11389 1 16 . 1 1 9 9 ARG C C 13 177.304 0.300 . 1 . . . . 9 ARG C . 11389 1 17 . 1 1 9 9 ARG CA C 13 57.800 0.300 . 1 . . . . 9 ARG CA . 11389 1 18 . 1 1 9 9 ARG CB C 13 30.023 0.300 . 1 . . . . 9 ARG CB . 11389 1 19 . 1 1 9 9 ARG CD C 13 43.148 0.300 . 1 . . . . 9 ARG CD . 11389 1 20 . 1 1 9 9 ARG CG C 13 27.243 0.300 . 1 . . . . 9 ARG CG . 11389 1 21 . 1 1 10 10 VAL H H 1 7.832 0.030 . 1 . . . . 10 VAL H . 11389 1 22 . 1 1 10 10 VAL HA H 1 3.834 0.030 . 1 . . . . 10 VAL HA . 11389 1 23 . 1 1 10 10 VAL HB H 1 2.011 0.030 . 1 . . . . 10 VAL HB . 11389 1 24 . 1 1 10 10 VAL HG11 H 1 0.984 0.030 . 1 . . . . 10 VAL HG1 . 11389 1 25 . 1 1 10 10 VAL HG12 H 1 0.984 0.030 . 1 . . . . 10 VAL HG1 . 11389 1 26 . 1 1 10 10 VAL HG13 H 1 0.984 0.030 . 1 . . . . 10 VAL HG1 . 11389 1 27 . 1 1 10 10 VAL HG21 H 1 0.918 0.030 . 1 . . . . 10 VAL HG2 . 11389 1 28 . 1 1 10 10 VAL HG22 H 1 0.918 0.030 . 1 . . . . 10 VAL HG2 . 11389 1 29 . 1 1 10 10 VAL HG23 H 1 0.918 0.030 . 1 . . . . 10 VAL HG2 . 11389 1 30 . 1 1 10 10 VAL C C 13 177.459 0.300 . 1 . . . . 10 VAL C . 11389 1 31 . 1 1 10 10 VAL CA C 13 65.081 0.300 . 1 . . . . 10 VAL CA . 11389 1 32 . 1 1 10 10 VAL CB C 13 31.919 0.300 . 1 . . . . 10 VAL CB . 11389 1 33 . 1 1 10 10 VAL CG1 C 13 21.384 0.300 . 2 . . . . 10 VAL CG1 . 11389 1 34 . 1 1 10 10 VAL CG2 C 13 21.096 0.300 . 2 . . . . 10 VAL CG2 . 11389 1 35 . 1 1 10 10 VAL N N 15 118.928 0.300 . 1 . . . . 10 VAL N . 11389 1 36 . 1 1 11 11 LYS H H 1 7.627 0.030 . 1 . . . . 11 LYS H . 11389 1 37 . 1 1 11 11 LYS HA H 1 3.447 0.030 . 1 . . . . 11 LYS HA . 11389 1 38 . 1 1 11 11 LYS HB2 H 1 1.722 0.030 . 2 . . . . 11 LYS HB2 . 11389 1 39 . 1 1 11 11 LYS HB3 H 1 1.514 0.030 . 2 . . . . 11 LYS HB3 . 11389 1 40 . 1 1 11 11 LYS HD2 H 1 1.696 0.030 . 1 . . . . 11 LYS HD2 . 11389 1 41 . 1 1 11 11 LYS HD3 H 1 1.696 0.030 . 1 . . . . 11 LYS HD3 . 11389 1 42 . 1 1 11 11 LYS HE2 H 1 3.067 0.030 . 2 . . . . 11 LYS HE2 . 11389 1 43 . 1 1 11 11 LYS HE3 H 1 2.997 0.030 . 2 . . . . 11 LYS HE3 . 11389 1 44 . 1 1 11 11 LYS HG2 H 1 1.040 0.030 . 2 . . . . 11 LYS HG2 . 11389 1 45 . 1 1 11 11 LYS HG3 H 1 1.258 0.030 . 2 . . . . 11 LYS HG3 . 11389 1 46 . 1 1 11 11 LYS C C 13 177.498 0.300 . 1 . . . . 11 LYS C . 11389 1 47 . 1 1 11 11 LYS CA C 13 58.886 0.300 . 1 . . . . 11 LYS CA . 11389 1 48 . 1 1 11 11 LYS CB C 13 32.337 0.300 . 1 . . . . 11 LYS CB . 11389 1 49 . 1 1 11 11 LYS CD C 13 29.801 0.300 . 1 . . . . 11 LYS CD . 11389 1 50 . 1 1 11 11 LYS CE C 13 42.378 0.300 . 1 . . . . 11 LYS CE . 11389 1 51 . 1 1 11 11 LYS CG C 13 25.036 0.300 . 1 . . . . 11 LYS CG . 11389 1 52 . 1 1 11 11 LYS N N 15 122.628 0.300 . 1 . . . . 11 LYS N . 11389 1 53 . 1 1 12 12 LEU H H 1 7.976 0.030 . 1 . . . . 12 LEU H . 11389 1 54 . 1 1 12 12 LEU HA H 1 4.104 0.030 . 1 . . . . 12 LEU HA . 11389 1 55 . 1 1 12 12 LEU HB2 H 1 1.725 0.030 . 2 . . . . 12 LEU HB2 . 11389 1 56 . 1 1 12 12 LEU HB3 H 1 1.563 0.030 . 2 . . . . 12 LEU HB3 . 11389 1 57 . 1 1 12 12 LEU HD11 H 1 0.885 0.030 . 1 . . . . 12 LEU HD1 . 11389 1 58 . 1 1 12 12 LEU HD12 H 1 0.885 0.030 . 1 . . . . 12 LEU HD1 . 11389 1 59 . 1 1 12 12 LEU HD13 H 1 0.885 0.030 . 1 . . . . 12 LEU HD1 . 11389 1 60 . 1 1 12 12 LEU HD21 H 1 0.866 0.030 . 1 . . . . 12 LEU HD2 . 11389 1 61 . 1 1 12 12 LEU HD22 H 1 0.866 0.030 . 1 . . . . 12 LEU HD2 . 11389 1 62 . 1 1 12 12 LEU HD23 H 1 0.866 0.030 . 1 . . . . 12 LEU HD2 . 11389 1 63 . 1 1 12 12 LEU HG H 1 1.736 0.030 . 1 . . . . 12 LEU HG . 11389 1 64 . 1 1 12 12 LEU C C 13 179.233 0.300 . 1 . . . . 12 LEU C . 11389 1 65 . 1 1 12 12 LEU CA C 13 57.297 0.300 . 1 . . . . 12 LEU CA . 11389 1 66 . 1 1 12 12 LEU CB C 13 41.534 0.300 . 1 . . . . 12 LEU CB . 11389 1 67 . 1 1 12 12 LEU CD1 C 13 25.233 0.300 . 2 . . . . 12 LEU CD1 . 11389 1 68 . 1 1 12 12 LEU CD2 C 13 23.020 0.300 . 2 . . . . 12 LEU CD2 . 11389 1 69 . 1 1 12 12 LEU CG C 13 27.052 0.300 . 1 . . . . 12 LEU CG . 11389 1 70 . 1 1 12 12 LEU N N 15 119.392 0.300 . 1 . . . . 12 LEU N . 11389 1 71 . 1 1 13 13 ASN H H 1 8.467 0.030 . 1 . . . . 13 ASN H . 11389 1 72 . 1 1 13 13 ASN HA H 1 4.559 0.030 . 1 . . . . 13 ASN HA . 11389 1 73 . 1 1 13 13 ASN HB2 H 1 2.920 0.030 . 2 . . . . 13 ASN HB2 . 11389 1 74 . 1 1 13 13 ASN HB3 H 1 2.880 0.030 . 2 . . . . 13 ASN HB3 . 11389 1 75 . 1 1 13 13 ASN HD21 H 1 7.759 0.030 . 2 . . . . 13 ASN HD21 . 11389 1 76 . 1 1 13 13 ASN HD22 H 1 6.953 0.030 . 2 . . . . 13 ASN HD22 . 11389 1 77 . 1 1 13 13 ASN C C 13 176.702 0.300 . 1 . . . . 13 ASN C . 11389 1 78 . 1 1 13 13 ASN CA C 13 55.355 0.300 . 1 . . . . 13 ASN CA . 11389 1 79 . 1 1 13 13 ASN CB C 13 38.395 0.300 . 1 . . . . 13 ASN CB . 11389 1 80 . 1 1 13 13 ASN N N 15 118.367 0.300 . 1 . . . . 13 ASN N . 11389 1 81 . 1 1 13 13 ASN ND2 N 15 112.169 0.300 . 1 . . . . 13 ASN ND2 . 11389 1 82 . 1 1 14 14 TYR H H 1 7.959 0.030 . 1 . . . . 14 TYR H . 11389 1 83 . 1 1 14 14 TYR HA H 1 4.170 0.030 . 1 . . . . 14 TYR HA . 11389 1 84 . 1 1 14 14 TYR HB2 H 1 3.261 0.030 . 2 . . . . 14 TYR HB2 . 11389 1 85 . 1 1 14 14 TYR HB3 H 1 3.173 0.030 . 2 . . . . 14 TYR HB3 . 11389 1 86 . 1 1 14 14 TYR HD1 H 1 7.123 0.030 . 1 . . . . 14 TYR HD1 . 11389 1 87 . 1 1 14 14 TYR HD2 H 1 7.123 0.030 . 1 . . . . 14 TYR HD2 . 11389 1 88 . 1 1 14 14 TYR HE1 H 1 6.798 0.030 . 1 . . . . 14 TYR HE1 . 11389 1 89 . 1 1 14 14 TYR HE2 H 1 6.798 0.030 . 1 . . . . 14 TYR HE2 . 11389 1 90 . 1 1 14 14 TYR C C 13 177.008 0.300 . 1 . . . . 14 TYR C . 11389 1 91 . 1 1 14 14 TYR CA C 13 62.448 0.300 . 1 . . . . 14 TYR CA . 11389 1 92 . 1 1 14 14 TYR CB C 13 39.502 0.300 . 1 . . . . 14 TYR CB . 11389 1 93 . 1 1 14 14 TYR CD1 C 13 132.671 0.300 . 1 . . . . 14 TYR CD1 . 11389 1 94 . 1 1 14 14 TYR CD2 C 13 132.671 0.300 . 1 . . . . 14 TYR CD2 . 11389 1 95 . 1 1 14 14 TYR CE1 C 13 118.245 0.300 . 1 . . . . 14 TYR CE1 . 11389 1 96 . 1 1 14 14 TYR CE2 C 13 118.245 0.300 . 1 . . . . 14 TYR CE2 . 11389 1 97 . 1 1 14 14 TYR N N 15 122.145 0.300 . 1 . . . . 14 TYR N . 11389 1 98 . 1 1 15 15 LEU H H 1 8.181 0.030 . 1 . . . . 15 LEU H . 11389 1 99 . 1 1 15 15 LEU HA H 1 4.028 0.030 . 1 . . . . 15 LEU HA . 11389 1 100 . 1 1 15 15 LEU HB2 H 1 1.958 0.030 . 2 . . . . 15 LEU HB2 . 11389 1 101 . 1 1 15 15 LEU HB3 H 1 1.596 0.030 . 2 . . . . 15 LEU HB3 . 11389 1 102 . 1 1 15 15 LEU HD11 H 1 1.046 0.030 . 1 . . . . 15 LEU HD1 . 11389 1 103 . 1 1 15 15 LEU HD12 H 1 1.046 0.030 . 1 . . . . 15 LEU HD1 . 11389 1 104 . 1 1 15 15 LEU HD13 H 1 1.046 0.030 . 1 . . . . 15 LEU HD1 . 11389 1 105 . 1 1 15 15 LEU HD21 H 1 1.098 0.030 . 1 . . . . 15 LEU HD2 . 11389 1 106 . 1 1 15 15 LEU HD22 H 1 1.098 0.030 . 1 . . . . 15 LEU HD2 . 11389 1 107 . 1 1 15 15 LEU HD23 H 1 1.098 0.030 . 1 . . . . 15 LEU HD2 . 11389 1 108 . 1 1 15 15 LEU HG H 1 2.051 0.030 . 1 . . . . 15 LEU HG . 11389 1 109 . 1 1 15 15 LEU C C 13 179.541 0.300 . 1 . . . . 15 LEU C . 11389 1 110 . 1 1 15 15 LEU CA C 13 57.394 0.300 . 1 . . . . 15 LEU CA . 11389 1 111 . 1 1 15 15 LEU CB C 13 41.273 0.300 . 1 . . . . 15 LEU CB . 11389 1 112 . 1 1 15 15 LEU CD1 C 13 25.442 0.300 . 2 . . . . 15 LEU CD1 . 11389 1 113 . 1 1 15 15 LEU CD2 C 13 23.337 0.300 . 2 . . . . 15 LEU CD2 . 11389 1 114 . 1 1 15 15 LEU CG C 13 27.332 0.300 . 1 . . . . 15 LEU CG . 11389 1 115 . 1 1 15 15 LEU N N 15 117.343 0.300 . 1 . . . . 15 LEU N . 11389 1 116 . 1 1 16 16 ASP H H 1 8.049 0.030 . 1 . . . . 16 ASP H . 11389 1 117 . 1 1 16 16 ASP HA H 1 4.428 0.030 . 1 . . . . 16 ASP HA . 11389 1 118 . 1 1 16 16 ASP HB2 H 1 2.723 0.030 . 2 . . . . 16 ASP HB2 . 11389 1 119 . 1 1 16 16 ASP HB3 H 1 2.849 0.030 . 2 . . . . 16 ASP HB3 . 11389 1 120 . 1 1 16 16 ASP C C 13 178.827 0.300 . 1 . . . . 16 ASP C . 11389 1 121 . 1 1 16 16 ASP CA C 13 57.378 0.300 . 1 . . . . 16 ASP CA . 11389 1 122 . 1 1 16 16 ASP CB C 13 41.265 0.300 . 1 . . . . 16 ASP CB . 11389 1 123 . 1 1 16 16 ASP N N 15 119.304 0.300 . 1 . . . . 16 ASP N . 11389 1 124 . 1 1 17 17 GLN H H 1 8.046 0.030 . 1 . . . . 17 GLN H . 11389 1 125 . 1 1 17 17 GLN HA H 1 3.956 0.030 . 1 . . . . 17 GLN HA . 11389 1 126 . 1 1 17 17 GLN HB2 H 1 2.141 0.030 . 1 . . . . 17 GLN HB2 . 11389 1 127 . 1 1 17 17 GLN HB3 H 1 2.141 0.030 . 1 . . . . 17 GLN HB3 . 11389 1 128 . 1 1 17 17 GLN HE21 H 1 7.385 0.030 . 2 . . . . 17 GLN HE21 . 11389 1 129 . 1 1 17 17 GLN HE22 H 1 6.965 0.030 . 2 . . . . 17 GLN HE22 . 11389 1 130 . 1 1 17 17 GLN HG2 H 1 2.557 0.030 . 2 . . . . 17 GLN HG2 . 11389 1 131 . 1 1 17 17 GLN HG3 H 1 2.510 0.030 . 2 . . . . 17 GLN HG3 . 11389 1 132 . 1 1 17 17 GLN C C 13 179.382 0.300 . 1 . . . . 17 GLN C . 11389 1 133 . 1 1 17 17 GLN CA C 13 59.037 0.300 . 1 . . . . 17 GLN CA . 11389 1 134 . 1 1 17 17 GLN CB C 13 28.567 0.300 . 1 . . . . 17 GLN CB . 11389 1 135 . 1 1 17 17 GLN CG C 13 34.610 0.300 . 1 . . . . 17 GLN CG . 11389 1 136 . 1 1 17 17 GLN N N 15 118.846 0.300 . 1 . . . . 17 GLN N . 11389 1 137 . 1 1 17 17 GLN NE2 N 15 112.379 0.300 . 1 . . . . 17 GLN NE2 . 11389 1 138 . 1 1 18 18 ILE H H 1 8.340 0.030 . 1 . . . . 18 ILE H . 11389 1 139 . 1 1 18 18 ILE HA H 1 3.269 0.030 . 1 . . . . 18 ILE HA . 11389 1 140 . 1 1 18 18 ILE HB H 1 1.051 0.030 . 1 . . . . 18 ILE HB . 11389 1 141 . 1 1 18 18 ILE HD11 H 1 0.778 0.030 . 1 . . . . 18 ILE HD1 . 11389 1 142 . 1 1 18 18 ILE HD12 H 1 0.778 0.030 . 1 . . . . 18 ILE HD1 . 11389 1 143 . 1 1 18 18 ILE HD13 H 1 0.778 0.030 . 1 . . . . 18 ILE HD1 . 11389 1 144 . 1 1 18 18 ILE HG12 H 1 0.923 0.030 . 1 . . . . 18 ILE HG12 . 11389 1 145 . 1 1 18 18 ILE HG13 H 1 0.923 0.030 . 1 . . . . 18 ILE HG13 . 11389 1 146 . 1 1 18 18 ILE HG21 H 1 0.914 0.030 . 1 . . . . 18 ILE HG2 . 11389 1 147 . 1 1 18 18 ILE HG22 H 1 0.914 0.030 . 1 . . . . 18 ILE HG2 . 11389 1 148 . 1 1 18 18 ILE HG23 H 1 0.914 0.030 . 1 . . . . 18 ILE HG2 . 11389 1 149 . 1 1 18 18 ILE C C 13 177.167 0.300 . 1 . . . . 18 ILE C . 11389 1 150 . 1 1 18 18 ILE CA C 13 64.438 0.300 . 1 . . . . 18 ILE CA . 11389 1 151 . 1 1 18 18 ILE CB C 13 37.120 0.300 . 1 . . . . 18 ILE CB . 11389 1 152 . 1 1 18 18 ILE CD1 C 13 13.913 0.300 . 1 . . . . 18 ILE CD1 . 11389 1 153 . 1 1 18 18 ILE CG1 C 13 29.761 0.300 . 1 . . . . 18 ILE CG1 . 11389 1 154 . 1 1 18 18 ILE CG2 C 13 17.613 0.300 . 1 . . . . 18 ILE CG2 . 11389 1 155 . 1 1 18 18 ILE N N 15 121.416 0.300 . 1 . . . . 18 ILE N . 11389 1 156 . 1 1 19 19 ALA H H 1 7.997 0.030 . 1 . . . . 19 ALA H . 11389 1 157 . 1 1 19 19 ALA HA H 1 4.217 0.030 . 1 . . . . 19 ALA HA . 11389 1 158 . 1 1 19 19 ALA HB1 H 1 1.624 0.030 . 1 . . . . 19 ALA HB . 11389 1 159 . 1 1 19 19 ALA HB2 H 1 1.624 0.030 . 1 . . . . 19 ALA HB . 11389 1 160 . 1 1 19 19 ALA HB3 H 1 1.624 0.030 . 1 . . . . 19 ALA HB . 11389 1 161 . 1 1 19 19 ALA C C 13 180.813 0.300 . 1 . . . . 19 ALA C . 11389 1 162 . 1 1 19 19 ALA CA C 13 55.983 0.300 . 1 . . . . 19 ALA CA . 11389 1 163 . 1 1 19 19 ALA CB C 13 18.130 0.300 . 1 . . . . 19 ALA CB . 11389 1 164 . 1 1 19 19 ALA N N 15 124.373 0.300 . 1 . . . . 19 ALA N . 11389 1 165 . 1 1 20 20 LYS H H 1 8.031 0.030 . 1 . . . . 20 LYS H . 11389 1 166 . 1 1 20 20 LYS HA H 1 4.072 0.030 . 1 . . . . 20 LYS HA . 11389 1 167 . 1 1 20 20 LYS HB2 H 1 1.930 0.030 . 1 . . . . 20 LYS HB2 . 11389 1 168 . 1 1 20 20 LYS HB3 H 1 1.930 0.030 . 1 . . . . 20 LYS HB3 . 11389 1 169 . 1 1 20 20 LYS HD2 H 1 1.675 0.030 . 1 . . . . 20 LYS HD2 . 11389 1 170 . 1 1 20 20 LYS HD3 H 1 1.675 0.030 . 1 . . . . 20 LYS HD3 . 11389 1 171 . 1 1 20 20 LYS HE2 H 1 2.960 0.030 . 1 . . . . 20 LYS HE2 . 11389 1 172 . 1 1 20 20 LYS HE3 H 1 2.960 0.030 . 1 . . . . 20 LYS HE3 . 11389 1 173 . 1 1 20 20 LYS HG2 H 1 1.588 0.030 . 2 . . . . 20 LYS HG2 . 11389 1 174 . 1 1 20 20 LYS HG3 H 1 1.509 0.030 . 2 . . . . 20 LYS HG3 . 11389 1 175 . 1 1 20 20 LYS C C 13 178.178 0.300 . 1 . . . . 20 LYS C . 11389 1 176 . 1 1 20 20 LYS CA C 13 58.990 0.300 . 1 . . . . 20 LYS CA . 11389 1 177 . 1 1 20 20 LYS CB C 13 31.883 0.300 . 1 . . . . 20 LYS CB . 11389 1 178 . 1 1 20 20 LYS CD C 13 28.592 0.300 . 1 . . . . 20 LYS CD . 11389 1 179 . 1 1 20 20 LYS CE C 13 42.028 0.300 . 1 . . . . 20 LYS CE . 11389 1 180 . 1 1 20 20 LYS CG C 13 25.176 0.300 . 1 . . . . 20 LYS CG . 11389 1 181 . 1 1 20 20 LYS N N 15 119.728 0.300 . 1 . . . . 20 LYS N . 11389 1 182 . 1 1 21 21 PHE H H 1 7.812 0.030 . 1 . . . . 21 PHE H . 11389 1 183 . 1 1 21 21 PHE HA H 1 3.951 0.030 . 1 . . . . 21 PHE HA . 11389 1 184 . 1 1 21 21 PHE HB2 H 1 2.976 0.030 . 2 . . . . 21 PHE HB2 . 11389 1 185 . 1 1 21 21 PHE HB3 H 1 3.073 0.030 . 2 . . . . 21 PHE HB3 . 11389 1 186 . 1 1 21 21 PHE HD1 H 1 6.082 0.030 . 1 . . . . 21 PHE HD1 . 11389 1 187 . 1 1 21 21 PHE HD2 H 1 6.082 0.030 . 1 . . . . 21 PHE HD2 . 11389 1 188 . 1 1 21 21 PHE HE1 H 1 5.880 0.030 . 1 . . . . 21 PHE HE1 . 11389 1 189 . 1 1 21 21 PHE HE2 H 1 5.880 0.030 . 1 . . . . 21 PHE HE2 . 11389 1 190 . 1 1 21 21 PHE HZ H 1 6.482 0.030 . 1 . . . . 21 PHE HZ . 11389 1 191 . 1 1 21 21 PHE C C 13 177.233 0.300 . 1 . . . . 21 PHE C . 11389 1 192 . 1 1 21 21 PHE CA C 13 61.103 0.300 . 1 . . . . 21 PHE CA . 11389 1 193 . 1 1 21 21 PHE CB C 13 38.896 0.300 . 1 . . . . 21 PHE CB . 11389 1 194 . 1 1 21 21 PHE CD1 C 13 131.602 0.300 . 1 . . . . 21 PHE CD1 . 11389 1 195 . 1 1 21 21 PHE CD2 C 13 131.602 0.300 . 1 . . . . 21 PHE CD2 . 11389 1 196 . 1 1 21 21 PHE CE1 C 13 130.830 0.300 . 1 . . . . 21 PHE CE1 . 11389 1 197 . 1 1 21 21 PHE CE2 C 13 130.830 0.300 . 1 . . . . 21 PHE CE2 . 11389 1 198 . 1 1 21 21 PHE CZ C 13 129.254 0.300 . 1 . . . . 21 PHE CZ . 11389 1 199 . 1 1 21 21 PHE N N 15 119.517 0.300 . 1 . . . . 21 PHE N . 11389 1 200 . 1 1 22 22 TRP H H 1 7.801 0.030 . 1 . . . . 22 TRP H . 11389 1 201 . 1 1 22 22 TRP HA H 1 4.127 0.030 . 1 . . . . 22 TRP HA . 11389 1 202 . 1 1 22 22 TRP HB2 H 1 3.546 0.030 . 2 . . . . 22 TRP HB2 . 11389 1 203 . 1 1 22 22 TRP HB3 H 1 2.941 0.030 . 2 . . . . 22 TRP HB3 . 11389 1 204 . 1 1 22 22 TRP HD1 H 1 7.354 0.030 . 1 . . . . 22 TRP HD1 . 11389 1 205 . 1 1 22 22 TRP HE1 H 1 10.355 0.030 . 1 . . . . 22 TRP HE1 . 11389 1 206 . 1 1 22 22 TRP HE3 H 1 7.588 0.030 . 1 . . . . 22 TRP HE3 . 11389 1 207 . 1 1 22 22 TRP HH2 H 1 7.411 0.030 . 1 . . . . 22 TRP HH2 . 11389 1 208 . 1 1 22 22 TRP HZ2 H 1 7.756 0.030 . 1 . . . . 22 TRP HZ2 . 11389 1 209 . 1 1 22 22 TRP HZ3 H 1 7.181 0.030 . 1 . . . . 22 TRP HZ3 . 11389 1 210 . 1 1 22 22 TRP C C 13 178.114 0.300 . 1 . . . . 22 TRP C . 11389 1 211 . 1 1 22 22 TRP CA C 13 60.507 0.300 . 1 . . . . 22 TRP CA . 11389 1 212 . 1 1 22 22 TRP CB C 13 28.637 0.300 . 1 . . . . 22 TRP CB . 11389 1 213 . 1 1 22 22 TRP CD1 C 13 126.773 0.300 . 1 . . . . 22 TRP CD1 . 11389 1 214 . 1 1 22 22 TRP CE3 C 13 120.795 0.300 . 1 . . . . 22 TRP CE3 . 11389 1 215 . 1 1 22 22 TRP CH2 C 13 124.642 0.300 . 1 . . . . 22 TRP CH2 . 11389 1 216 . 1 1 22 22 TRP CZ2 C 13 115.508 0.300 . 1 . . . . 22 TRP CZ2 . 11389 1 217 . 1 1 22 22 TRP CZ3 C 13 122.318 0.300 . 1 . . . . 22 TRP CZ3 . 11389 1 218 . 1 1 22 22 TRP N N 15 119.341 0.300 . 1 . . . . 22 TRP N . 11389 1 219 . 1 1 22 22 TRP NE1 N 15 125.312 0.300 . 1 . . . . 22 TRP NE1 . 11389 1 220 . 1 1 23 23 GLU H H 1 8.225 0.030 . 1 . . . . 23 GLU H . 11389 1 221 . 1 1 23 23 GLU HA H 1 4.129 0.030 . 1 . . . . 23 GLU HA . 11389 1 222 . 1 1 23 23 GLU HB2 H 1 2.196 0.030 . 1 . . . . 23 GLU HB2 . 11389 1 223 . 1 1 23 23 GLU HB3 H 1 2.196 0.030 . 1 . . . . 23 GLU HB3 . 11389 1 224 . 1 1 23 23 GLU HG2 H 1 2.398 0.030 . 2 . . . . 23 GLU HG2 . 11389 1 225 . 1 1 23 23 GLU HG3 H 1 2.231 0.030 . 2 . . . . 23 GLU HG3 . 11389 1 226 . 1 1 23 23 GLU C C 13 181.204 0.300 . 1 . . . . 23 GLU C . 11389 1 227 . 1 1 23 23 GLU CA C 13 59.410 0.300 . 1 . . . . 23 GLU CA . 11389 1 228 . 1 1 23 23 GLU CB C 13 29.649 0.300 . 1 . . . . 23 GLU CB . 11389 1 229 . 1 1 23 23 GLU CG C 13 36.175 0.300 . 1 . . . . 23 GLU CG . 11389 1 230 . 1 1 23 23 GLU N N 15 121.243 0.300 . 1 . . . . 23 GLU N . 11389 1 231 . 1 1 24 24 ILE H H 1 8.060 0.030 . 1 . . . . 24 ILE H . 11389 1 232 . 1 1 24 24 ILE HA H 1 3.763 0.030 . 1 . . . . 24 ILE HA . 11389 1 233 . 1 1 24 24 ILE HB H 1 1.854 0.030 . 1 . . . . 24 ILE HB . 11389 1 234 . 1 1 24 24 ILE HD11 H 1 0.790 0.030 . 1 . . . . 24 ILE HD1 . 11389 1 235 . 1 1 24 24 ILE HD12 H 1 0.790 0.030 . 1 . . . . 24 ILE HD1 . 11389 1 236 . 1 1 24 24 ILE HD13 H 1 0.790 0.030 . 1 . . . . 24 ILE HD1 . 11389 1 237 . 1 1 24 24 ILE HG12 H 1 1.581 0.030 . 2 . . . . 24 ILE HG12 . 11389 1 238 . 1 1 24 24 ILE HG13 H 1 1.186 0.030 . 2 . . . . 24 ILE HG13 . 11389 1 239 . 1 1 24 24 ILE HG21 H 1 0.773 0.030 . 1 . . . . 24 ILE HG2 . 11389 1 240 . 1 1 24 24 ILE HG22 H 1 0.773 0.030 . 1 . . . . 24 ILE HG2 . 11389 1 241 . 1 1 24 24 ILE HG23 H 1 0.773 0.030 . 1 . . . . 24 ILE HG2 . 11389 1 242 . 1 1 24 24 ILE C C 13 178.029 0.300 . 1 . . . . 24 ILE C . 11389 1 243 . 1 1 24 24 ILE CA C 13 64.279 0.300 . 1 . . . . 24 ILE CA . 11389 1 244 . 1 1 24 24 ILE CB C 13 37.370 0.300 . 1 . . . . 24 ILE CB . 11389 1 245 . 1 1 24 24 ILE CD1 C 13 13.307 0.300 . 1 . . . . 24 ILE CD1 . 11389 1 246 . 1 1 24 24 ILE CG1 C 13 29.055 0.300 . 1 . . . . 24 ILE CG1 . 11389 1 247 . 1 1 24 24 ILE CG2 C 13 17.296 0.300 . 1 . . . . 24 ILE CG2 . 11389 1 248 . 1 1 24 24 ILE N N 15 121.643 0.300 . 1 . . . . 24 ILE N . 11389 1 249 . 1 1 25 25 GLN H H 1 7.357 0.030 . 1 . . . . 25 GLN H . 11389 1 250 . 1 1 25 25 GLN HA H 1 3.994 0.030 . 1 . . . . 25 GLN HA . 11389 1 251 . 1 1 25 25 GLN HB2 H 1 2.223 0.030 . 2 . . . . 25 GLN HB2 . 11389 1 252 . 1 1 25 25 GLN HB3 H 1 1.839 0.030 . 2 . . . . 25 GLN HB3 . 11389 1 253 . 1 1 25 25 GLN HE21 H 1 5.832 0.030 . 2 . . . . 25 GLN HE21 . 11389 1 254 . 1 1 25 25 GLN HE22 H 1 6.221 0.030 . 2 . . . . 25 GLN HE22 . 11389 1 255 . 1 1 25 25 GLN HG2 H 1 1.461 0.030 . 2 . . . . 25 GLN HG2 . 11389 1 256 . 1 1 25 25 GLN HG3 H 1 1.278 0.030 . 2 . . . . 25 GLN HG3 . 11389 1 257 . 1 1 25 25 GLN C C 13 176.512 0.300 . 1 . . . . 25 GLN C . 11389 1 258 . 1 1 25 25 GLN CA C 13 55.600 0.300 . 1 . . . . 25 GLN CA . 11389 1 259 . 1 1 25 25 GLN CB C 13 28.422 0.300 . 1 . . . . 25 GLN CB . 11389 1 260 . 1 1 25 25 GLN CG C 13 32.846 0.300 . 1 . . . . 25 GLN CG . 11389 1 261 . 1 1 25 25 GLN N N 15 116.630 0.300 . 1 . . . . 25 GLN N . 11389 1 262 . 1 1 25 25 GLN NE2 N 15 113.317 0.300 . 1 . . . . 25 GLN NE2 . 11389 1 263 . 1 1 26 26 GLY H H 1 7.820 0.030 . 1 . . . . 26 GLY H . 11389 1 264 . 1 1 26 26 GLY HA2 H 1 4.272 0.030 . 2 . . . . 26 GLY HA2 . 11389 1 265 . 1 1 26 26 GLY HA3 H 1 3.795 0.030 . 2 . . . . 26 GLY HA3 . 11389 1 266 . 1 1 26 26 GLY C C 13 174.240 0.300 . 1 . . . . 26 GLY C . 11389 1 267 . 1 1 26 26 GLY CA C 13 45.433 0.300 . 1 . . . . 26 GLY CA . 11389 1 268 . 1 1 26 26 GLY N N 15 106.710 0.300 . 1 . . . . 26 GLY N . 11389 1 269 . 1 1 27 27 SER H H 1 8.025 0.030 . 1 . . . . 27 SER H . 11389 1 270 . 1 1 27 27 SER HA H 1 4.742 0.030 . 1 . . . . 27 SER HA . 11389 1 271 . 1 1 27 27 SER HB2 H 1 3.854 0.030 . 2 . . . . 27 SER HB2 . 11389 1 272 . 1 1 27 27 SER HB3 H 1 3.762 0.030 . 2 . . . . 27 SER HB3 . 11389 1 273 . 1 1 27 27 SER C C 13 172.782 0.300 . 1 . . . . 27 SER C . 11389 1 274 . 1 1 27 27 SER CA C 13 55.806 0.300 . 1 . . . . 27 SER CA . 11389 1 275 . 1 1 27 27 SER CB C 13 64.517 0.300 . 1 . . . . 27 SER CB . 11389 1 276 . 1 1 27 27 SER N N 15 116.059 0.300 . 1 . . . . 27 SER N . 11389 1 277 . 1 1 28 28 SER H H 1 8.354 0.030 . 1 . . . . 28 SER H . 11389 1 278 . 1 1 28 28 SER HA H 1 4.317 0.030 . 1 . . . . 28 SER HA . 11389 1 279 . 1 1 28 28 SER HB2 H 1 3.813 0.030 . 2 . . . . 28 SER HB2 . 11389 1 280 . 1 1 28 28 SER HB3 H 1 3.693 0.030 . 2 . . . . 28 SER HB3 . 11389 1 281 . 1 1 28 28 SER C C 13 173.791 0.300 . 1 . . . . 28 SER C . 11389 1 282 . 1 1 28 28 SER CA C 13 58.409 0.300 . 1 . . . . 28 SER CA . 11389 1 283 . 1 1 28 28 SER CB C 13 63.862 0.300 . 1 . . . . 28 SER CB . 11389 1 284 . 1 1 28 28 SER N N 15 116.635 0.300 . 1 . . . . 28 SER N . 11389 1 285 . 1 1 29 29 LEU H H 1 9.023 0.030 . 1 . . . . 29 LEU H . 11389 1 286 . 1 1 29 29 LEU HA H 1 3.994 0.030 . 1 . . . . 29 LEU HA . 11389 1 287 . 1 1 29 29 LEU HB2 H 1 1.946 0.030 . 2 . . . . 29 LEU HB2 . 11389 1 288 . 1 1 29 29 LEU HB3 H 1 1.315 0.030 . 2 . . . . 29 LEU HB3 . 11389 1 289 . 1 1 29 29 LEU HD11 H 1 0.846 0.030 . 1 . . . . 29 LEU HD1 . 11389 1 290 . 1 1 29 29 LEU HD12 H 1 0.846 0.030 . 1 . . . . 29 LEU HD1 . 11389 1 291 . 1 1 29 29 LEU HD13 H 1 0.846 0.030 . 1 . . . . 29 LEU HD1 . 11389 1 292 . 1 1 29 29 LEU HD21 H 1 0.667 0.030 . 1 . . . . 29 LEU HD2 . 11389 1 293 . 1 1 29 29 LEU HD22 H 1 0.667 0.030 . 1 . . . . 29 LEU HD2 . 11389 1 294 . 1 1 29 29 LEU HD23 H 1 0.667 0.030 . 1 . . . . 29 LEU HD2 . 11389 1 295 . 1 1 29 29 LEU HG H 1 1.287 0.030 . 1 . . . . 29 LEU HG . 11389 1 296 . 1 1 29 29 LEU C C 13 175.403 0.300 . 1 . . . . 29 LEU C . 11389 1 297 . 1 1 29 29 LEU CA C 13 55.426 0.300 . 1 . . . . 29 LEU CA . 11389 1 298 . 1 1 29 29 LEU CB C 13 42.833 0.300 . 1 . . . . 29 LEU CB . 11389 1 299 . 1 1 29 29 LEU CD1 C 13 26.608 0.300 . 2 . . . . 29 LEU CD1 . 11389 1 300 . 1 1 29 29 LEU CD2 C 13 23.846 0.300 . 2 . . . . 29 LEU CD2 . 11389 1 301 . 1 1 29 29 LEU CG C 13 27.187 0.300 . 1 . . . . 29 LEU CG . 11389 1 302 . 1 1 29 29 LEU N N 15 125.858 0.300 . 1 . . . . 29 LEU N . 11389 1 303 . 1 1 30 30 LYS H H 1 8.329 0.030 . 1 . . . . 30 LYS H . 11389 1 304 . 1 1 30 30 LYS HA H 1 4.479 0.030 . 1 . . . . 30 LYS HA . 11389 1 305 . 1 1 30 30 LYS HB2 H 1 1.559 0.030 . 2 . . . . 30 LYS HB2 . 11389 1 306 . 1 1 30 30 LYS HB3 H 1 1.594 0.030 . 2 . . . . 30 LYS HB3 . 11389 1 307 . 1 1 30 30 LYS HD2 H 1 1.566 0.030 . 1 . . . . 30 LYS HD2 . 11389 1 308 . 1 1 30 30 LYS HD3 H 1 1.566 0.030 . 1 . . . . 30 LYS HD3 . 11389 1 309 . 1 1 30 30 LYS HE2 H 1 2.898 0.030 . 1 . . . . 30 LYS HE2 . 11389 1 310 . 1 1 30 30 LYS HE3 H 1 2.898 0.030 . 1 . . . . 30 LYS HE3 . 11389 1 311 . 1 1 30 30 LYS HG2 H 1 1.196 0.030 . 2 . . . . 30 LYS HG2 . 11389 1 312 . 1 1 30 30 LYS HG3 H 1 1.283 0.030 . 2 . . . . 30 LYS HG3 . 11389 1 313 . 1 1 30 30 LYS C C 13 175.156 0.300 . 1 . . . . 30 LYS C . 11389 1 314 . 1 1 30 30 LYS CA C 13 54.337 0.300 . 1 . . . . 30 LYS CA . 11389 1 315 . 1 1 30 30 LYS CB C 13 32.617 0.300 . 1 . . . . 30 LYS CB . 11389 1 316 . 1 1 30 30 LYS CD C 13 28.802 0.300 . 1 . . . . 30 LYS CD . 11389 1 317 . 1 1 30 30 LYS CE C 13 42.168 0.300 . 1 . . . . 30 LYS CE . 11389 1 318 . 1 1 30 30 LYS CG C 13 24.393 0.300 . 1 . . . . 30 LYS CG . 11389 1 319 . 1 1 30 30 LYS N N 15 130.242 0.300 . 1 . . . . 30 LYS N . 11389 1 320 . 1 1 31 31 ILE H H 1 8.738 0.030 . 1 . . . . 31 ILE H . 11389 1 321 . 1 1 31 31 ILE HA H 1 3.959 0.030 . 1 . . . . 31 ILE HA . 11389 1 322 . 1 1 31 31 ILE HB H 1 1.819 0.030 . 1 . . . . 31 ILE HB . 11389 1 323 . 1 1 31 31 ILE HD11 H 1 0.993 0.030 . 1 . . . . 31 ILE HD1 . 11389 1 324 . 1 1 31 31 ILE HD12 H 1 0.993 0.030 . 1 . . . . 31 ILE HD1 . 11389 1 325 . 1 1 31 31 ILE HD13 H 1 0.993 0.030 . 1 . . . . 31 ILE HD1 . 11389 1 326 . 1 1 31 31 ILE HG12 H 1 1.724 0.030 . 2 . . . . 31 ILE HG12 . 11389 1 327 . 1 1 31 31 ILE HG13 H 1 0.930 0.030 . 2 . . . . 31 ILE HG13 . 11389 1 328 . 1 1 31 31 ILE HG21 H 1 1.166 0.030 . 1 . . . . 31 ILE HG2 . 11389 1 329 . 1 1 31 31 ILE HG22 H 1 1.166 0.030 . 1 . . . . 31 ILE HG2 . 11389 1 330 . 1 1 31 31 ILE HG23 H 1 1.166 0.030 . 1 . . . . 31 ILE HG2 . 11389 1 331 . 1 1 31 31 ILE C C 13 174.604 0.300 . 1 . . . . 31 ILE C . 11389 1 332 . 1 1 31 31 ILE CA C 13 60.090 0.300 . 1 . . . . 31 ILE CA . 11389 1 333 . 1 1 31 31 ILE CB C 13 38.222 0.300 . 1 . . . . 31 ILE CB . 11389 1 334 . 1 1 31 31 ILE CD1 C 13 13.188 0.300 . 1 . . . . 31 ILE CD1 . 11389 1 335 . 1 1 31 31 ILE CG1 C 13 28.634 0.300 . 1 . . . . 31 ILE CG1 . 11389 1 336 . 1 1 31 31 ILE CG2 C 13 18.852 0.300 . 1 . . . . 31 ILE CG2 . 11389 1 337 . 1 1 31 31 ILE N N 15 127.148 0.300 . 1 . . . . 31 ILE N . 11389 1 338 . 1 1 32 32 PRO HA H 1 4.396 0.030 . 1 . . . . 32 PRO HA . 11389 1 339 . 1 1 32 32 PRO HB2 H 1 1.895 0.030 . 2 . . . . 32 PRO HB2 . 11389 1 340 . 1 1 32 32 PRO HB3 H 1 1.308 0.030 . 2 . . . . 32 PRO HB3 . 11389 1 341 . 1 1 32 32 PRO HD2 H 1 3.254 0.030 . 2 . . . . 32 PRO HD2 . 11389 1 342 . 1 1 32 32 PRO HD3 H 1 3.872 0.030 . 2 . . . . 32 PRO HD3 . 11389 1 343 . 1 1 32 32 PRO HG2 H 1 1.024 0.030 . 1 . . . . 32 PRO HG2 . 11389 1 344 . 1 1 32 32 PRO HG3 H 1 1.024 0.030 . 1 . . . . 32 PRO HG3 . 11389 1 345 . 1 1 32 32 PRO C C 13 174.262 0.300 . 1 . . . . 32 PRO C . 11389 1 346 . 1 1 32 32 PRO CA C 13 62.522 0.300 . 1 . . . . 32 PRO CA . 11389 1 347 . 1 1 32 32 PRO CB C 13 32.752 0.300 . 1 . . . . 32 PRO CB . 11389 1 348 . 1 1 32 32 PRO CD C 13 50.467 0.300 . 1 . . . . 32 PRO CD . 11389 1 349 . 1 1 32 32 PRO CG C 13 26.093 0.300 . 1 . . . . 32 PRO CG . 11389 1 350 . 1 1 33 33 ASN H H 1 8.272 0.030 . 1 . . . . 33 ASN H . 11389 1 351 . 1 1 33 33 ASN HA H 1 5.113 0.030 . 1 . . . . 33 ASN HA . 11389 1 352 . 1 1 33 33 ASN HB2 H 1 2.535 0.030 . 2 . . . . 33 ASN HB2 . 11389 1 353 . 1 1 33 33 ASN HB3 H 1 2.202 0.030 . 2 . . . . 33 ASN HB3 . 11389 1 354 . 1 1 33 33 ASN HD21 H 1 7.223 0.030 . 2 . . . . 33 ASN HD21 . 11389 1 355 . 1 1 33 33 ASN HD22 H 1 6.562 0.030 . 2 . . . . 33 ASN HD22 . 11389 1 356 . 1 1 33 33 ASN C C 13 175.712 0.300 . 1 . . . . 33 ASN C . 11389 1 357 . 1 1 33 33 ASN CA C 13 52.093 0.300 . 1 . . . . 33 ASN CA . 11389 1 358 . 1 1 33 33 ASN CB C 13 40.401 0.300 . 1 . . . . 33 ASN CB . 11389 1 359 . 1 1 33 33 ASN N N 15 116.107 0.300 . 1 . . . . 33 ASN N . 11389 1 360 . 1 1 33 33 ASN ND2 N 15 111.057 0.300 . 1 . . . . 33 ASN ND2 . 11389 1 361 . 1 1 34 34 VAL H H 1 8.928 0.030 . 1 . . . . 34 VAL H . 11389 1 362 . 1 1 34 34 VAL HA H 1 4.139 0.030 . 1 . . . . 34 VAL HA . 11389 1 363 . 1 1 34 34 VAL HB H 1 1.977 0.030 . 1 . . . . 34 VAL HB . 11389 1 364 . 1 1 34 34 VAL HG11 H 1 0.841 0.030 . 1 . . . . 34 VAL HG1 . 11389 1 365 . 1 1 34 34 VAL HG12 H 1 0.841 0.030 . 1 . . . . 34 VAL HG1 . 11389 1 366 . 1 1 34 34 VAL HG13 H 1 0.841 0.030 . 1 . . . . 34 VAL HG1 . 11389 1 367 . 1 1 34 34 VAL HG21 H 1 0.562 0.030 . 1 . . . . 34 VAL HG2 . 11389 1 368 . 1 1 34 34 VAL HG22 H 1 0.562 0.030 . 1 . . . . 34 VAL HG2 . 11389 1 369 . 1 1 34 34 VAL HG23 H 1 0.562 0.030 . 1 . . . . 34 VAL HG2 . 11389 1 370 . 1 1 34 34 VAL C C 13 175.563 0.300 . 1 . . . . 34 VAL C . 11389 1 371 . 1 1 34 34 VAL CA C 13 62.029 0.300 . 1 . . . . 34 VAL CA . 11389 1 372 . 1 1 34 34 VAL CB C 13 34.781 0.300 . 1 . . . . 34 VAL CB . 11389 1 373 . 1 1 34 34 VAL CG1 C 13 22.378 0.300 . 2 . . . . 34 VAL CG1 . 11389 1 374 . 1 1 34 34 VAL CG2 C 13 21.778 0.300 . 2 . . . . 34 VAL CG2 . 11389 1 375 . 1 1 34 34 VAL N N 15 122.065 0.300 . 1 . . . . 34 VAL N . 11389 1 376 . 1 1 35 35 GLU H H 1 9.631 0.030 . 1 . . . . 35 GLU H . 11389 1 377 . 1 1 35 35 GLU HA H 1 3.793 0.030 . 1 . . . . 35 GLU HA . 11389 1 378 . 1 1 35 35 GLU HB2 H 1 2.479 0.030 . 2 . . . . 35 GLU HB2 . 11389 1 379 . 1 1 35 35 GLU HB3 H 1 2.145 0.030 . 2 . . . . 35 GLU HB3 . 11389 1 380 . 1 1 35 35 GLU HG2 H 1 2.365 0.030 . 2 . . . . 35 GLU HG2 . 11389 1 381 . 1 1 35 35 GLU HG3 H 1 2.138 0.030 . 2 . . . . 35 GLU HG3 . 11389 1 382 . 1 1 35 35 GLU C C 13 175.346 0.300 . 1 . . . . 35 GLU C . 11389 1 383 . 1 1 35 35 GLU CA C 13 57.249 0.300 . 1 . . . . 35 GLU CA . 11389 1 384 . 1 1 35 35 GLU CB C 13 27.416 0.300 . 1 . . . . 35 GLU CB . 11389 1 385 . 1 1 35 35 GLU CG C 13 36.895 0.300 . 1 . . . . 35 GLU CG . 11389 1 386 . 1 1 35 35 GLU N N 15 127.107 0.300 . 1 . . . . 35 GLU N . 11389 1 387 . 1 1 36 36 ARG H H 1 8.601 0.030 . 1 . . . . 36 ARG H . 11389 1 388 . 1 1 36 36 ARG HA H 1 3.755 0.030 . 1 . . . . 36 ARG HA . 11389 1 389 . 1 1 36 36 ARG HB2 H 1 2.052 0.030 . 2 . . . . 36 ARG HB2 . 11389 1 390 . 1 1 36 36 ARG HB3 H 1 2.188 0.030 . 2 . . . . 36 ARG HB3 . 11389 1 391 . 1 1 36 36 ARG HD2 H 1 3.239 0.030 . 2 . . . . 36 ARG HD2 . 11389 1 392 . 1 1 36 36 ARG HD3 H 1 3.176 0.030 . 2 . . . . 36 ARG HD3 . 11389 1 393 . 1 1 36 36 ARG HG2 H 1 1.539 0.030 . 1 . . . . 36 ARG HG2 . 11389 1 394 . 1 1 36 36 ARG HG3 H 1 1.539 0.030 . 1 . . . . 36 ARG HG3 . 11389 1 395 . 1 1 36 36 ARG C C 13 174.927 0.300 . 1 . . . . 36 ARG C . 11389 1 396 . 1 1 36 36 ARG CA C 13 57.958 0.300 . 1 . . . . 36 ARG CA . 11389 1 397 . 1 1 36 36 ARG CB C 13 27.494 0.300 . 1 . . . . 36 ARG CB . 11389 1 398 . 1 1 36 36 ARG CD C 13 43.288 0.300 . 1 . . . . 36 ARG CD . 11389 1 399 . 1 1 36 36 ARG CG C 13 27.730 0.300 . 1 . . . . 36 ARG CG . 11389 1 400 . 1 1 36 36 ARG N N 15 137.497 0.300 . 1 . . . . 36 ARG N . 11389 1 401 . 1 1 37 37 LYS H H 1 7.581 0.030 . 1 . . . . 37 LYS H . 11389 1 402 . 1 1 37 37 LYS HA H 1 4.702 0.030 . 1 . . . . 37 LYS HA . 11389 1 403 . 1 1 37 37 LYS HB2 H 1 1.923 0.030 . 2 . . . . 37 LYS HB2 . 11389 1 404 . 1 1 37 37 LYS HB3 H 1 1.802 0.030 . 2 . . . . 37 LYS HB3 . 11389 1 405 . 1 1 37 37 LYS HD2 H 1 1.738 0.030 . 1 . . . . 37 LYS HD2 . 11389 1 406 . 1 1 37 37 LYS HD3 H 1 1.738 0.030 . 1 . . . . 37 LYS HD3 . 11389 1 407 . 1 1 37 37 LYS HE2 H 1 3.028 0.030 . 1 . . . . 37 LYS HE2 . 11389 1 408 . 1 1 37 37 LYS HE3 H 1 3.028 0.030 . 1 . . . . 37 LYS HE3 . 11389 1 409 . 1 1 37 37 LYS HG2 H 1 1.527 0.030 . 1 . . . . 37 LYS HG2 . 11389 1 410 . 1 1 37 37 LYS HG3 H 1 1.527 0.030 . 1 . . . . 37 LYS HG3 . 11389 1 411 . 1 1 37 37 LYS C C 13 175.377 0.300 . 1 . . . . 37 LYS C . 11389 1 412 . 1 1 37 37 LYS CA C 13 54.583 0.300 . 1 . . . . 37 LYS CA . 11389 1 413 . 1 1 37 37 LYS CB C 13 36.386 0.300 . 1 . . . . 37 LYS CB . 11389 1 414 . 1 1 37 37 LYS CD C 13 29.222 0.300 . 1 . . . . 37 LYS CD . 11389 1 415 . 1 1 37 37 LYS CE C 13 42.267 0.300 . 1 . . . . 37 LYS CE . 11389 1 416 . 1 1 37 37 LYS CG C 13 24.771 0.300 . 1 . . . . 37 LYS CG . 11389 1 417 . 1 1 37 37 LYS N N 15 118.976 0.300 . 1 . . . . 37 LYS N . 11389 1 418 . 1 1 38 38 ILE H H 1 8.451 0.030 . 1 . . . . 38 ILE H . 11389 1 419 . 1 1 38 38 ILE HA H 1 4.204 0.030 . 1 . . . . 38 ILE HA . 11389 1 420 . 1 1 38 38 ILE HB H 1 1.752 0.030 . 1 . . . . 38 ILE HB . 11389 1 421 . 1 1 38 38 ILE HD11 H 1 0.870 0.030 . 1 . . . . 38 ILE HD1 . 11389 1 422 . 1 1 38 38 ILE HD12 H 1 0.870 0.030 . 1 . . . . 38 ILE HD1 . 11389 1 423 . 1 1 38 38 ILE HD13 H 1 0.870 0.030 . 1 . . . . 38 ILE HD1 . 11389 1 424 . 1 1 38 38 ILE HG12 H 1 1.507 0.030 . 2 . . . . 38 ILE HG12 . 11389 1 425 . 1 1 38 38 ILE HG13 H 1 1.288 0.030 . 2 . . . . 38 ILE HG13 . 11389 1 426 . 1 1 38 38 ILE HG21 H 1 0.880 0.030 . 1 . . . . 38 ILE HG2 . 11389 1 427 . 1 1 38 38 ILE HG22 H 1 0.880 0.030 . 1 . . . . 38 ILE HG2 . 11389 1 428 . 1 1 38 38 ILE HG23 H 1 0.880 0.030 . 1 . . . . 38 ILE HG2 . 11389 1 429 . 1 1 38 38 ILE C C 13 176.828 0.300 . 1 . . . . 38 ILE C . 11389 1 430 . 1 1 38 38 ILE CA C 13 62.078 0.300 . 1 . . . . 38 ILE CA . 11389 1 431 . 1 1 38 38 ILE CB C 13 39.052 0.300 . 1 . . . . 38 ILE CB . 11389 1 432 . 1 1 38 38 ILE CD1 C 13 13.836 0.300 . 1 . . . . 38 ILE CD1 . 11389 1 433 . 1 1 38 38 ILE CG1 C 13 28.426 0.300 . 1 . . . . 38 ILE CG1 . 11389 1 434 . 1 1 38 38 ILE CG2 C 13 17.535 0.300 . 1 . . . . 38 ILE CG2 . 11389 1 435 . 1 1 38 38 ILE N N 15 123.597 0.300 . 1 . . . . 38 ILE N . 11389 1 436 . 1 1 39 39 LEU H H 1 8.237 0.030 . 1 . . . . 39 LEU H . 11389 1 437 . 1 1 39 39 LEU HA H 1 4.240 0.030 . 1 . . . . 39 LEU HA . 11389 1 438 . 1 1 39 39 LEU HB2 H 1 1.728 0.030 . 2 . . . . 39 LEU HB2 . 11389 1 439 . 1 1 39 39 LEU HB3 H 1 1.115 0.030 . 2 . . . . 39 LEU HB3 . 11389 1 440 . 1 1 39 39 LEU HD11 H 1 1.024 0.030 . 1 . . . . 39 LEU HD1 . 11389 1 441 . 1 1 39 39 LEU HD12 H 1 1.024 0.030 . 1 . . . . 39 LEU HD1 . 11389 1 442 . 1 1 39 39 LEU HD13 H 1 1.024 0.030 . 1 . . . . 39 LEU HD1 . 11389 1 443 . 1 1 39 39 LEU HD21 H 1 0.684 0.030 . 1 . . . . 39 LEU HD2 . 11389 1 444 . 1 1 39 39 LEU HD22 H 1 0.684 0.030 . 1 . . . . 39 LEU HD2 . 11389 1 445 . 1 1 39 39 LEU HD23 H 1 0.684 0.030 . 1 . . . . 39 LEU HD2 . 11389 1 446 . 1 1 39 39 LEU HG H 1 1.291 0.030 . 1 . . . . 39 LEU HG . 11389 1 447 . 1 1 39 39 LEU C C 13 174.636 0.300 . 1 . . . . 39 LEU C . 11389 1 448 . 1 1 39 39 LEU CA C 13 55.155 0.300 . 1 . . . . 39 LEU CA . 11389 1 449 . 1 1 39 39 LEU CB C 13 43.299 0.300 . 1 . . . . 39 LEU CB . 11389 1 450 . 1 1 39 39 LEU CD1 C 13 23.363 0.300 . 2 . . . . 39 LEU CD1 . 11389 1 451 . 1 1 39 39 LEU CD2 C 13 26.459 0.300 . 2 . . . . 39 LEU CD2 . 11389 1 452 . 1 1 39 39 LEU CG C 13 27.183 0.300 . 1 . . . . 39 LEU CG . 11389 1 453 . 1 1 39 39 LEU N N 15 129.479 0.300 . 1 . . . . 39 LEU N . 11389 1 454 . 1 1 40 40 ASP H H 1 9.091 0.030 . 1 . . . . 40 ASP H . 11389 1 455 . 1 1 40 40 ASP HA H 1 4.758 0.030 . 1 . . . . 40 ASP HA . 11389 1 456 . 1 1 40 40 ASP HB2 H 1 3.206 0.030 . 2 . . . . 40 ASP HB2 . 11389 1 457 . 1 1 40 40 ASP HB3 H 1 2.729 0.030 . 2 . . . . 40 ASP HB3 . 11389 1 458 . 1 1 40 40 ASP C C 13 175.192 0.300 . 1 . . . . 40 ASP C . 11389 1 459 . 1 1 40 40 ASP CA C 13 52.227 0.300 . 1 . . . . 40 ASP CA . 11389 1 460 . 1 1 40 40 ASP CB C 13 39.284 0.300 . 1 . . . . 40 ASP CB . 11389 1 461 . 1 1 40 40 ASP N N 15 127.032 0.300 . 1 . . . . 40 ASP N . 11389 1 462 . 1 1 41 41 LEU H H 1 7.871 0.030 . 1 . . . . 41 LEU H . 11389 1 463 . 1 1 41 41 LEU HA H 1 3.958 0.030 . 1 . . . . 41 LEU HA . 11389 1 464 . 1 1 41 41 LEU HB2 H 1 1.971 0.030 . 2 . . . . 41 LEU HB2 . 11389 1 465 . 1 1 41 41 LEU HB3 H 1 1.663 0.030 . 2 . . . . 41 LEU HB3 . 11389 1 466 . 1 1 41 41 LEU HD11 H 1 0.890 0.030 . 1 . . . . 41 LEU HD1 . 11389 1 467 . 1 1 41 41 LEU HD12 H 1 0.890 0.030 . 1 . . . . 41 LEU HD1 . 11389 1 468 . 1 1 41 41 LEU HD13 H 1 0.890 0.030 . 1 . . . . 41 LEU HD1 . 11389 1 469 . 1 1 41 41 LEU HD21 H 1 1.099 0.030 . 1 . . . . 41 LEU HD2 . 11389 1 470 . 1 1 41 41 LEU HD22 H 1 1.099 0.030 . 1 . . . . 41 LEU HD2 . 11389 1 471 . 1 1 41 41 LEU HD23 H 1 1.099 0.030 . 1 . . . . 41 LEU HD2 . 11389 1 472 . 1 1 41 41 LEU HG H 1 1.072 0.030 . 1 . . . . 41 LEU HG . 11389 1 473 . 1 1 41 41 LEU C C 13 177.815 0.300 . 1 . . . . 41 LEU C . 11389 1 474 . 1 1 41 41 LEU CA C 13 57.925 0.300 . 1 . . . . 41 LEU CA . 11389 1 475 . 1 1 41 41 LEU CB C 13 42.926 0.300 . 1 . . . . 41 LEU CB . 11389 1 476 . 1 1 41 41 LEU CD1 C 13 23.203 0.300 . 2 . . . . 41 LEU CD1 . 11389 1 477 . 1 1 41 41 LEU CD2 C 13 23.351 0.300 . 2 . . . . 41 LEU CD2 . 11389 1 478 . 1 1 41 41 LEU CG C 13 27.043 0.300 . 1 . . . . 41 LEU CG . 11389 1 479 . 1 1 41 41 LEU N N 15 124.944 0.300 . 1 . . . . 41 LEU N . 11389 1 480 . 1 1 42 42 TYR H H 1 8.600 0.030 . 1 . . . . 42 TYR H . 11389 1 481 . 1 1 42 42 TYR HA H 1 3.725 0.030 . 1 . . . . 42 TYR HA . 11389 1 482 . 1 1 42 42 TYR HB2 H 1 3.061 0.030 . 1 . . . . 42 TYR HB2 . 11389 1 483 . 1 1 42 42 TYR HB3 H 1 3.061 0.030 . 1 . . . . 42 TYR HB3 . 11389 1 484 . 1 1 42 42 TYR HD1 H 1 6.818 0.030 . 1 . . . . 42 TYR HD1 . 11389 1 485 . 1 1 42 42 TYR HD2 H 1 6.818 0.030 . 1 . . . . 42 TYR HD2 . 11389 1 486 . 1 1 42 42 TYR HE1 H 1 6.682 0.030 . 1 . . . . 42 TYR HE1 . 11389 1 487 . 1 1 42 42 TYR HE2 H 1 6.682 0.030 . 1 . . . . 42 TYR HE2 . 11389 1 488 . 1 1 42 42 TYR C C 13 177.351 0.300 . 1 . . . . 42 TYR C . 11389 1 489 . 1 1 42 42 TYR CA C 13 61.186 0.300 . 1 . . . . 42 TYR CA . 11389 1 490 . 1 1 42 42 TYR CB C 13 38.201 0.300 . 1 . . . . 42 TYR CB . 11389 1 491 . 1 1 42 42 TYR CD1 C 13 133.058 0.300 . 1 . . . . 42 TYR CD1 . 11389 1 492 . 1 1 42 42 TYR CD2 C 13 133.058 0.300 . 1 . . . . 42 TYR CD2 . 11389 1 493 . 1 1 42 42 TYR CE1 C 13 117.983 0.300 . 1 . . . . 42 TYR CE1 . 11389 1 494 . 1 1 42 42 TYR CE2 C 13 117.983 0.300 . 1 . . . . 42 TYR CE2 . 11389 1 495 . 1 1 42 42 TYR N N 15 117.447 0.300 . 1 . . . . 42 TYR N . 11389 1 496 . 1 1 43 43 SER H H 1 8.029 0.030 . 1 . . . . 43 SER H . 11389 1 497 . 1 1 43 43 SER HA H 1 3.823 0.030 . 1 . . . . 43 SER HA . 11389 1 498 . 1 1 43 43 SER HB2 H 1 3.703 0.030 . 2 . . . . 43 SER HB2 . 11389 1 499 . 1 1 43 43 SER HB3 H 1 3.628 0.030 . 2 . . . . 43 SER HB3 . 11389 1 500 . 1 1 43 43 SER C C 13 175.649 0.300 . 1 . . . . 43 SER C . 11389 1 501 . 1 1 43 43 SER CA C 13 62.266 0.300 . 1 . . . . 43 SER CA . 11389 1 502 . 1 1 43 43 SER CB C 13 61.992 0.300 . 1 . . . . 43 SER CB . 11389 1 503 . 1 1 43 43 SER N N 15 116.315 0.300 . 1 . . . . 43 SER N . 11389 1 504 . 1 1 44 44 LEU H H 1 8.300 0.030 . 1 . . . . 44 LEU H . 11389 1 505 . 1 1 44 44 LEU HA H 1 4.106 0.030 . 1 . . . . 44 LEU HA . 11389 1 506 . 1 1 44 44 LEU HB2 H 1 2.217 0.030 . 2 . . . . 44 LEU HB2 . 11389 1 507 . 1 1 44 44 LEU HB3 H 1 1.559 0.030 . 2 . . . . 44 LEU HB3 . 11389 1 508 . 1 1 44 44 LEU HD11 H 1 1.216 0.030 . 1 . . . . 44 LEU HD1 . 11389 1 509 . 1 1 44 44 LEU HD12 H 1 1.216 0.030 . 1 . . . . 44 LEU HD1 . 11389 1 510 . 1 1 44 44 LEU HD13 H 1 1.216 0.030 . 1 . . . . 44 LEU HD1 . 11389 1 511 . 1 1 44 44 LEU HD21 H 1 1.175 0.030 . 1 . . . . 44 LEU HD2 . 11389 1 512 . 1 1 44 44 LEU HD22 H 1 1.175 0.030 . 1 . . . . 44 LEU HD2 . 11389 1 513 . 1 1 44 44 LEU HD23 H 1 1.175 0.030 . 1 . . . . 44 LEU HD2 . 11389 1 514 . 1 1 44 44 LEU HG H 1 1.882 0.030 . 1 . . . . 44 LEU HG . 11389 1 515 . 1 1 44 44 LEU C C 13 176.694 0.300 . 1 . . . . 44 LEU C . 11389 1 516 . 1 1 44 44 LEU CA C 13 58.874 0.300 . 1 . . . . 44 LEU CA . 11389 1 517 . 1 1 44 44 LEU CB C 13 41.194 0.300 . 1 . . . . 44 LEU CB . 11389 1 518 . 1 1 44 44 LEU CD1 C 13 26.858 0.300 . 2 . . . . 44 LEU CD1 . 11389 1 519 . 1 1 44 44 LEU CD2 C 13 24.393 0.300 . 2 . . . . 44 LEU CD2 . 11389 1 520 . 1 1 44 44 LEU CG C 13 27.890 0.300 . 1 . . . . 44 LEU CG . 11389 1 521 . 1 1 44 44 LEU N N 15 120.724 0.300 . 1 . . . . 44 LEU N . 11389 1 522 . 1 1 45 45 SER H H 1 8.078 0.030 . 1 . . . . 45 SER H . 11389 1 523 . 1 1 45 45 SER HA H 1 4.350 0.030 . 1 . . . . 45 SER HA . 11389 1 524 . 1 1 45 45 SER HB2 H 1 4.030 0.030 . 2 . . . . 45 SER HB2 . 11389 1 525 . 1 1 45 45 SER HB3 H 1 4.203 0.030 . 2 . . . . 45 SER HB3 . 11389 1 526 . 1 1 45 45 SER C C 13 176.660 0.300 . 1 . . . . 45 SER C . 11389 1 527 . 1 1 45 45 SER CA C 13 61.854 0.300 . 1 . . . . 45 SER CA . 11389 1 528 . 1 1 45 45 SER CB C 13 62.476 0.300 . 1 . . . . 45 SER CB . 11389 1 529 . 1 1 45 45 SER N N 15 112.808 0.300 . 1 . . . . 45 SER N . 11389 1 530 . 1 1 46 46 LYS H H 1 7.751 0.030 . 1 . . . . 46 LYS H . 11389 1 531 . 1 1 46 46 LYS HA H 1 3.856 0.030 . 1 . . . . 46 LYS HA . 11389 1 532 . 1 1 46 46 LYS HB2 H 1 1.622 0.030 . 2 . . . . 46 LYS HB2 . 11389 1 533 . 1 1 46 46 LYS HB3 H 1 1.451 0.030 . 2 . . . . 46 LYS HB3 . 11389 1 534 . 1 1 46 46 LYS HD2 H 1 1.414 0.030 . 2 . . . . 46 LYS HD2 . 11389 1 535 . 1 1 46 46 LYS HD3 H 1 1.468 0.030 . 2 . . . . 46 LYS HD3 . 11389 1 536 . 1 1 46 46 LYS HE2 H 1 2.875 0.030 . 2 . . . . 46 LYS HE2 . 11389 1 537 . 1 1 46 46 LYS HE3 H 1 2.719 0.030 . 2 . . . . 46 LYS HE3 . 11389 1 538 . 1 1 46 46 LYS HG2 H 1 1.160 0.030 . 2 . . . . 46 LYS HG2 . 11389 1 539 . 1 1 46 46 LYS HG3 H 1 1.070 0.030 . 2 . . . . 46 LYS HG3 . 11389 1 540 . 1 1 46 46 LYS C C 13 179.173 0.300 . 1 . . . . 46 LYS C . 11389 1 541 . 1 1 46 46 LYS CA C 13 58.721 0.300 . 1 . . . . 46 LYS CA . 11389 1 542 . 1 1 46 46 LYS CB C 13 32.442 0.300 . 1 . . . . 46 LYS CB . 11389 1 543 . 1 1 46 46 LYS CD C 13 28.815 0.300 . 1 . . . . 46 LYS CD . 11389 1 544 . 1 1 46 46 LYS CE C 13 41.949 0.300 . 1 . . . . 46 LYS CE . 11389 1 545 . 1 1 46 46 LYS CG C 13 24.028 0.300 . 1 . . . . 46 LYS CG . 11389 1 546 . 1 1 46 46 LYS N N 15 120.148 0.300 . 1 . . . . 46 LYS N . 11389 1 547 . 1 1 47 47 ILE H H 1 8.653 0.030 . 1 . . . . 47 ILE H . 11389 1 548 . 1 1 47 47 ILE HA H 1 3.618 0.030 . 1 . . . . 47 ILE HA . 11389 1 549 . 1 1 47 47 ILE HB H 1 1.910 0.030 . 1 . . . . 47 ILE HB . 11389 1 550 . 1 1 47 47 ILE HD11 H 1 0.679 0.030 . 1 . . . . 47 ILE HD1 . 11389 1 551 . 1 1 47 47 ILE HD12 H 1 0.679 0.030 . 1 . . . . 47 ILE HD1 . 11389 1 552 . 1 1 47 47 ILE HD13 H 1 0.679 0.030 . 1 . . . . 47 ILE HD1 . 11389 1 553 . 1 1 47 47 ILE HG12 H 1 1.511 0.030 . 2 . . . . 47 ILE HG12 . 11389 1 554 . 1 1 47 47 ILE HG13 H 1 1.161 0.030 . 2 . . . . 47 ILE HG13 . 11389 1 555 . 1 1 47 47 ILE HG21 H 1 0.865 0.030 . 1 . . . . 47 ILE HG2 . 11389 1 556 . 1 1 47 47 ILE HG22 H 1 0.865 0.030 . 1 . . . . 47 ILE HG2 . 11389 1 557 . 1 1 47 47 ILE HG23 H 1 0.865 0.030 . 1 . . . . 47 ILE HG2 . 11389 1 558 . 1 1 47 47 ILE C C 13 177.410 0.300 . 1 . . . . 47 ILE C . 11389 1 559 . 1 1 47 47 ILE CA C 13 64.021 0.300 . 1 . . . . 47 ILE CA . 11389 1 560 . 1 1 47 47 ILE CB C 13 37.072 0.300 . 1 . . . . 47 ILE CB . 11389 1 561 . 1 1 47 47 ILE CD1 C 13 12.703 0.300 . 1 . . . . 47 ILE CD1 . 11389 1 562 . 1 1 47 47 ILE CG1 C 13 29.877 0.300 . 1 . . . . 47 ILE CG1 . 11389 1 563 . 1 1 47 47 ILE CG2 C 13 19.718 0.300 . 1 . . . . 47 ILE CG2 . 11389 1 564 . 1 1 47 47 ILE N N 15 120.627 0.300 . 1 . . . . 47 ILE N . 11389 1 565 . 1 1 48 48 VAL H H 1 8.012 0.030 . 1 . . . . 48 VAL H . 11389 1 566 . 1 1 48 48 VAL HA H 1 3.166 0.030 . 1 . . . . 48 VAL HA . 11389 1 567 . 1 1 48 48 VAL HB H 1 2.138 0.030 . 1 . . . . 48 VAL HB . 11389 1 568 . 1 1 48 48 VAL HG11 H 1 0.762 0.030 . 1 . . . . 48 VAL HG1 . 11389 1 569 . 1 1 48 48 VAL HG12 H 1 0.762 0.030 . 1 . . . . 48 VAL HG1 . 11389 1 570 . 1 1 48 48 VAL HG13 H 1 0.762 0.030 . 1 . . . . 48 VAL HG1 . 11389 1 571 . 1 1 48 48 VAL HG21 H 1 0.545 0.030 . 1 . . . . 48 VAL HG2 . 11389 1 572 . 1 1 48 48 VAL HG22 H 1 0.545 0.030 . 1 . . . . 48 VAL HG2 . 11389 1 573 . 1 1 48 48 VAL HG23 H 1 0.545 0.030 . 1 . . . . 48 VAL HG2 . 11389 1 574 . 1 1 48 48 VAL C C 13 178.151 0.300 . 1 . . . . 48 VAL C . 11389 1 575 . 1 1 48 48 VAL CA C 13 66.801 0.300 . 1 . . . . 48 VAL CA . 11389 1 576 . 1 1 48 48 VAL CB C 13 30.827 0.300 . 1 . . . . 48 VAL CB . 11389 1 577 . 1 1 48 48 VAL CG1 C 13 24.757 0.300 . 2 . . . . 48 VAL CG1 . 11389 1 578 . 1 1 48 48 VAL CG2 C 13 19.843 0.300 . 2 . . . . 48 VAL CG2 . 11389 1 579 . 1 1 48 48 VAL N N 15 119.498 0.300 . 1 . . . . 48 VAL N . 11389 1 580 . 1 1 49 49 ILE H H 1 7.443 0.030 . 1 . . . . 49 ILE H . 11389 1 581 . 1 1 49 49 ILE HA H 1 3.551 0.030 . 1 . . . . 49 ILE HA . 11389 1 582 . 1 1 49 49 ILE HB H 1 2.007 0.030 . 1 . . . . 49 ILE HB . 11389 1 583 . 1 1 49 49 ILE HD11 H 1 0.886 0.030 . 1 . . . . 49 ILE HD1 . 11389 1 584 . 1 1 49 49 ILE HD12 H 1 0.886 0.030 . 1 . . . . 49 ILE HD1 . 11389 1 585 . 1 1 49 49 ILE HD13 H 1 0.886 0.030 . 1 . . . . 49 ILE HD1 . 11389 1 586 . 1 1 49 49 ILE HG12 H 1 1.803 0.030 . 2 . . . . 49 ILE HG12 . 11389 1 587 . 1 1 49 49 ILE HG13 H 1 1.348 0.030 . 2 . . . . 49 ILE HG13 . 11389 1 588 . 1 1 49 49 ILE HG21 H 1 0.905 0.030 . 1 . . . . 49 ILE HG2 . 11389 1 589 . 1 1 49 49 ILE HG22 H 1 0.905 0.030 . 1 . . . . 49 ILE HG2 . 11389 1 590 . 1 1 49 49 ILE HG23 H 1 0.905 0.030 . 1 . . . . 49 ILE HG2 . 11389 1 591 . 1 1 49 49 ILE C C 13 180.485 0.300 . 1 . . . . 49 ILE C . 11389 1 592 . 1 1 49 49 ILE CA C 13 65.107 0.300 . 1 . . . . 49 ILE CA . 11389 1 593 . 1 1 49 49 ILE CB C 13 37.553 0.300 . 1 . . . . 49 ILE CB . 11389 1 594 . 1 1 49 49 ILE CD1 C 13 12.587 0.300 . 1 . . . . 49 ILE CD1 . 11389 1 595 . 1 1 49 49 ILE CG1 C 13 29.008 0.300 . 1 . . . . 49 ILE CG1 . 11389 1 596 . 1 1 49 49 ILE CG2 C 13 17.254 0.300 . 1 . . . . 49 ILE CG2 . 11389 1 597 . 1 1 49 49 ILE N N 15 118.990 0.300 . 1 . . . . 49 ILE N . 11389 1 598 . 1 1 50 50 GLU H H 1 8.349 0.030 . 1 . . . . 50 GLU H . 11389 1 599 . 1 1 50 50 GLU HA H 1 3.927 0.030 . 1 . . . . 50 GLU HA . 11389 1 600 . 1 1 50 50 GLU HB2 H 1 2.059 0.030 . 2 . . . . 50 GLU HB2 . 11389 1 601 . 1 1 50 50 GLU HB3 H 1 2.153 0.030 . 2 . . . . 50 GLU HB3 . 11389 1 602 . 1 1 50 50 GLU HG2 H 1 2.534 0.030 . 2 . . . . 50 GLU HG2 . 11389 1 603 . 1 1 50 50 GLU HG3 H 1 2.227 0.030 . 2 . . . . 50 GLU HG3 . 11389 1 604 . 1 1 50 50 GLU C C 13 178.877 0.300 . 1 . . . . 50 GLU C . 11389 1 605 . 1 1 50 50 GLU CA C 13 59.650 0.300 . 1 . . . . 50 GLU CA . 11389 1 606 . 1 1 50 50 GLU CB C 13 30.208 0.300 . 1 . . . . 50 GLU CB . 11389 1 607 . 1 1 50 50 GLU CG C 13 36.634 0.300 . 1 . . . . 50 GLU CG . 11389 1 608 . 1 1 50 50 GLU N N 15 122.241 0.300 . 1 . . . . 50 GLU N . 11389 1 609 . 1 1 51 51 GLU H H 1 8.050 0.030 . 1 . . . . 51 GLU H . 11389 1 610 . 1 1 51 51 GLU HA H 1 4.194 0.030 . 1 . . . . 51 GLU HA . 11389 1 611 . 1 1 51 51 GLU HB2 H 1 2.084 0.030 . 2 . . . . 51 GLU HB2 . 11389 1 612 . 1 1 51 51 GLU HB3 H 1 1.604 0.030 . 2 . . . . 51 GLU HB3 . 11389 1 613 . 1 1 51 51 GLU HG2 H 1 2.327 0.030 . 2 . . . . 51 GLU HG2 . 11389 1 614 . 1 1 51 51 GLU HG3 H 1 1.736 0.030 . 2 . . . . 51 GLU HG3 . 11389 1 615 . 1 1 51 51 GLU C C 13 175.066 0.300 . 1 . . . . 51 GLU C . 11389 1 616 . 1 1 51 51 GLU CA C 13 55.611 0.300 . 1 . . . . 51 GLU CA . 11389 1 617 . 1 1 51 51 GLU CB C 13 28.686 0.300 . 1 . . . . 51 GLU CB . 11389 1 618 . 1 1 51 51 GLU CG C 13 35.991 0.300 . 1 . . . . 51 GLU CG . 11389 1 619 . 1 1 51 51 GLU N N 15 115.083 0.300 . 1 . . . . 51 GLU N . 11389 1 620 . 1 1 52 52 GLY H H 1 7.432 0.030 . 1 . . . . 52 GLY H . 11389 1 621 . 1 1 52 52 GLY HA2 H 1 4.450 0.030 . 2 . . . . 52 GLY HA2 . 11389 1 622 . 1 1 52 52 GLY HA3 H 1 3.613 0.030 . 2 . . . . 52 GLY HA3 . 11389 1 623 . 1 1 52 52 GLY C C 13 174.844 0.300 . 1 . . . . 52 GLY C . 11389 1 624 . 1 1 52 52 GLY CA C 13 44.790 0.300 . 1 . . . . 52 GLY CA . 11389 1 625 . 1 1 52 52 GLY N N 15 104.871 0.300 . 1 . . . . 52 GLY N . 11389 1 626 . 1 1 53 53 GLY H H 1 8.550 0.030 . 1 . . . . 53 GLY H . 11389 1 627 . 1 1 53 53 GLY HA2 H 1 4.500 0.030 . 2 . . . . 53 GLY HA2 . 11389 1 628 . 1 1 53 53 GLY HA3 H 1 3.502 0.030 . 2 . . . . 53 GLY HA3 . 11389 1 629 . 1 1 53 53 GLY C C 13 171.438 0.300 . 1 . . . . 53 GLY C . 11389 1 630 . 1 1 53 53 GLY CA C 13 43.810 0.300 . 1 . . . . 53 GLY CA . 11389 1 631 . 1 1 53 53 GLY N N 15 110.594 0.300 . 1 . . . . 53 GLY N . 11389 1 632 . 1 1 54 54 TYR H H 1 8.756 0.030 . 1 . . . . 54 TYR H . 11389 1 633 . 1 1 54 54 TYR HA H 1 3.542 0.030 . 1 . . . . 54 TYR HA . 11389 1 634 . 1 1 54 54 TYR HB2 H 1 3.112 0.030 . 2 . . . . 54 TYR HB2 . 11389 1 635 . 1 1 54 54 TYR HB3 H 1 2.916 0.030 . 2 . . . . 54 TYR HB3 . 11389 1 636 . 1 1 54 54 TYR HD1 H 1 6.966 0.030 . 1 . . . . 54 TYR HD1 . 11389 1 637 . 1 1 54 54 TYR HD2 H 1 6.966 0.030 . 1 . . . . 54 TYR HD2 . 11389 1 638 . 1 1 54 54 TYR HE1 H 1 6.702 0.030 . 1 . . . . 54 TYR HE1 . 11389 1 639 . 1 1 54 54 TYR HE2 H 1 6.702 0.030 . 1 . . . . 54 TYR HE2 . 11389 1 640 . 1 1 54 54 TYR C C 13 176.448 0.300 . 1 . . . . 54 TYR C . 11389 1 641 . 1 1 54 54 TYR CA C 13 62.612 0.300 . 1 . . . . 54 TYR CA . 11389 1 642 . 1 1 54 54 TYR CB C 13 39.596 0.300 . 1 . . . . 54 TYR CB . 11389 1 643 . 1 1 54 54 TYR CD1 C 13 133.392 0.300 . 1 . . . . 54 TYR CD1 . 11389 1 644 . 1 1 54 54 TYR CD2 C 13 133.392 0.300 . 1 . . . . 54 TYR CD2 . 11389 1 645 . 1 1 54 54 TYR CE1 C 13 118.067 0.300 . 1 . . . . 54 TYR CE1 . 11389 1 646 . 1 1 54 54 TYR CE2 C 13 118.067 0.300 . 1 . . . . 54 TYR CE2 . 11389 1 647 . 1 1 54 54 TYR N N 15 119.275 0.300 . 1 . . . . 54 TYR N . 11389 1 648 . 1 1 55 55 GLU H H 1 8.990 0.030 . 1 . . . . 55 GLU H . 11389 1 649 . 1 1 55 55 GLU HA H 1 3.632 0.030 . 1 . . . . 55 GLU HA . 11389 1 650 . 1 1 55 55 GLU HB2 H 1 2.008 0.030 . 2 . . . . 55 GLU HB2 . 11389 1 651 . 1 1 55 55 GLU HB3 H 1 2.077 0.030 . 2 . . . . 55 GLU HB3 . 11389 1 652 . 1 1 55 55 GLU HG2 H 1 2.524 0.030 . 2 . . . . 55 GLU HG2 . 11389 1 653 . 1 1 55 55 GLU HG3 H 1 2.434 0.030 . 2 . . . . 55 GLU HG3 . 11389 1 654 . 1 1 55 55 GLU C C 13 179.064 0.300 . 1 . . . . 55 GLU C . 11389 1 655 . 1 1 55 55 GLU CA C 13 60.462 0.300 . 1 . . . . 55 GLU CA . 11389 1 656 . 1 1 55 55 GLU CB C 13 29.020 0.300 . 1 . . . . 55 GLU CB . 11389 1 657 . 1 1 55 55 GLU CG C 13 36.916 0.300 . 1 . . . . 55 GLU CG . 11389 1 658 . 1 1 55 55 GLU N N 15 118.959 0.300 . 1 . . . . 55 GLU N . 11389 1 659 . 1 1 56 56 ALA H H 1 8.248 0.030 . 1 . . . . 56 ALA H . 11389 1 660 . 1 1 56 56 ALA HA H 1 3.949 0.030 . 1 . . . . 56 ALA HA . 11389 1 661 . 1 1 56 56 ALA HB1 H 1 1.256 0.030 . 1 . . . . 56 ALA HB . 11389 1 662 . 1 1 56 56 ALA HB2 H 1 1.256 0.030 . 1 . . . . 56 ALA HB . 11389 1 663 . 1 1 56 56 ALA HB3 H 1 1.256 0.030 . 1 . . . . 56 ALA HB . 11389 1 664 . 1 1 56 56 ALA C C 13 179.189 0.300 . 1 . . . . 56 ALA C . 11389 1 665 . 1 1 56 56 ALA CA C 13 55.048 0.300 . 1 . . . . 56 ALA CA . 11389 1 666 . 1 1 56 56 ALA CB C 13 18.221 0.300 . 1 . . . . 56 ALA CB . 11389 1 667 . 1 1 56 56 ALA N N 15 122.925 0.300 . 1 . . . . 56 ALA N . 11389 1 668 . 1 1 57 57 ILE H H 1 7.790 0.030 . 1 . . . . 57 ILE H . 11389 1 669 . 1 1 57 57 ILE HA H 1 3.149 0.030 . 1 . . . . 57 ILE HA . 11389 1 670 . 1 1 57 57 ILE HB H 1 0.803 0.030 . 1 . . . . 57 ILE HB . 11389 1 671 . 1 1 57 57 ILE HD11 H 1 -1.007 0.030 . 1 . . . . 57 ILE HD1 . 11389 1 672 . 1 1 57 57 ILE HD12 H 1 -1.007 0.030 . 1 . . . . 57 ILE HD1 . 11389 1 673 . 1 1 57 57 ILE HD13 H 1 -1.007 0.030 . 1 . . . . 57 ILE HD1 . 11389 1 674 . 1 1 57 57 ILE HG12 H 1 1.359 0.030 . 2 . . . . 57 ILE HG12 . 11389 1 675 . 1 1 57 57 ILE HG13 H 1 0.234 0.030 . 2 . . . . 57 ILE HG13 . 11389 1 676 . 1 1 57 57 ILE HG21 H 1 0.102 0.030 . 1 . . . . 57 ILE HG2 . 11389 1 677 . 1 1 57 57 ILE HG22 H 1 0.102 0.030 . 1 . . . . 57 ILE HG2 . 11389 1 678 . 1 1 57 57 ILE HG23 H 1 0.102 0.030 . 1 . . . . 57 ILE HG2 . 11389 1 679 . 1 1 57 57 ILE C C 13 179.392 0.300 . 1 . . . . 57 ILE C . 11389 1 680 . 1 1 57 57 ILE CA C 13 65.064 0.300 . 1 . . . . 57 ILE CA . 11389 1 681 . 1 1 57 57 ILE CB C 13 38.212 0.300 . 1 . . . . 57 ILE CB . 11389 1 682 . 1 1 57 57 ILE CD1 C 13 14.861 0.300 . 1 . . . . 57 ILE CD1 . 11389 1 683 . 1 1 57 57 ILE CG1 C 13 28.514 0.300 . 1 . . . . 57 ILE CG1 . 11389 1 684 . 1 1 57 57 ILE CG2 C 13 16.256 0.300 . 1 . . . . 57 ILE CG2 . 11389 1 685 . 1 1 57 57 ILE N N 15 117.467 0.300 . 1 . . . . 57 ILE N . 11389 1 686 . 1 1 58 58 CYS H H 1 7.753 0.030 . 1 . . . . 58 CYS H . 11389 1 687 . 1 1 58 58 CYS HA H 1 4.178 0.030 . 1 . . . . 58 CYS HA . 11389 1 688 . 1 1 58 58 CYS HB2 H 1 2.931 0.030 . 2 . . . . 58 CYS HB2 . 11389 1 689 . 1 1 58 58 CYS HB3 H 1 2.702 0.030 . 2 . . . . 58 CYS HB3 . 11389 1 690 . 1 1 58 58 CYS C C 13 177.900 0.300 . 1 . . . . 58 CYS C . 11389 1 691 . 1 1 58 58 CYS CA C 13 63.842 0.300 . 1 . . . . 58 CYS CA . 11389 1 692 . 1 1 58 58 CYS CB C 13 27.276 0.300 . 1 . . . . 58 CYS CB . 11389 1 693 . 1 1 58 58 CYS N N 15 115.280 0.300 . 1 . . . . 58 CYS N . 11389 1 694 . 1 1 59 59 LYS H H 1 8.317 0.030 . 1 . . . . 59 LYS H . 11389 1 695 . 1 1 59 59 LYS HA H 1 3.941 0.030 . 1 . . . . 59 LYS HA . 11389 1 696 . 1 1 59 59 LYS HB2 H 1 1.843 0.030 . 1 . . . . 59 LYS HB2 . 11389 1 697 . 1 1 59 59 LYS HB3 H 1 1.843 0.030 . 1 . . . . 59 LYS HB3 . 11389 1 698 . 1 1 59 59 LYS HD2 H 1 1.649 0.030 . 1 . . . . 59 LYS HD2 . 11389 1 699 . 1 1 59 59 LYS HD3 H 1 1.649 0.030 . 1 . . . . 59 LYS HD3 . 11389 1 700 . 1 1 59 59 LYS HE2 H 1 2.960 0.030 . 1 . . . . 59 LYS HE2 . 11389 1 701 . 1 1 59 59 LYS HE3 H 1 2.960 0.030 . 1 . . . . 59 LYS HE3 . 11389 1 702 . 1 1 59 59 LYS HG2 H 1 1.422 0.030 . 2 . . . . 59 LYS HG2 . 11389 1 703 . 1 1 59 59 LYS HG3 H 1 1.492 0.030 . 2 . . . . 59 LYS HG3 . 11389 1 704 . 1 1 59 59 LYS C C 13 177.992 0.300 . 1 . . . . 59 LYS C . 11389 1 705 . 1 1 59 59 LYS CA C 13 59.647 0.300 . 1 . . . . 59 LYS CA . 11389 1 706 . 1 1 59 59 LYS CB C 13 32.296 0.300 . 1 . . . . 59 LYS CB . 11389 1 707 . 1 1 59 59 LYS CD C 13 29.223 0.300 . 1 . . . . 59 LYS CD . 11389 1 708 . 1 1 59 59 LYS CE C 13 41.958 0.300 . 1 . . . . 59 LYS CE . 11389 1 709 . 1 1 59 59 LYS CG C 13 24.777 0.300 . 1 . . . . 59 LYS CG . 11389 1 710 . 1 1 59 59 LYS N N 15 122.316 0.300 . 1 . . . . 59 LYS N . 11389 1 711 . 1 1 60 60 ASP H H 1 8.146 0.030 . 1 . . . . 60 ASP H . 11389 1 712 . 1 1 60 60 ASP HA H 1 4.593 0.030 . 1 . . . . 60 ASP HA . 11389 1 713 . 1 1 60 60 ASP HB2 H 1 2.723 0.030 . 2 . . . . 60 ASP HB2 . 11389 1 714 . 1 1 60 60 ASP HB3 H 1 2.451 0.030 . 2 . . . . 60 ASP HB3 . 11389 1 715 . 1 1 60 60 ASP C C 13 174.803 0.300 . 1 . . . . 60 ASP C . 11389 1 716 . 1 1 60 60 ASP CA C 13 54.216 0.300 . 1 . . . . 60 ASP CA . 11389 1 717 . 1 1 60 60 ASP CB C 13 41.026 0.300 . 1 . . . . 60 ASP CB . 11389 1 718 . 1 1 60 60 ASP N N 15 116.117 0.300 . 1 . . . . 60 ASP N . 11389 1 719 . 1 1 61 61 ARG H H 1 7.634 0.030 . 1 . . . . 61 ARG H . 11389 1 720 . 1 1 61 61 ARG HA H 1 4.152 0.030 . 1 . . . . 61 ARG HA . 11389 1 721 . 1 1 61 61 ARG HB2 H 1 2.197 0.030 . 2 . . . . 61 ARG HB2 . 11389 1 722 . 1 1 61 61 ARG HB3 H 1 1.959 0.030 . 2 . . . . 61 ARG HB3 . 11389 1 723 . 1 1 61 61 ARG HD2 H 1 3.284 0.030 . 1 . . . . 61 ARG HD2 . 11389 1 724 . 1 1 61 61 ARG HD3 H 1 3.284 0.030 . 1 . . . . 61 ARG HD3 . 11389 1 725 . 1 1 61 61 ARG HG2 H 1 1.652 0.030 . 2 . . . . 61 ARG HG2 . 11389 1 726 . 1 1 61 61 ARG HG3 H 1 1.693 0.030 . 2 . . . . 61 ARG HG3 . 11389 1 727 . 1 1 61 61 ARG C C 13 177.412 0.300 . 1 . . . . 61 ARG C . 11389 1 728 . 1 1 61 61 ARG CA C 13 57.374 0.300 . 1 . . . . 61 ARG CA . 11389 1 729 . 1 1 61 61 ARG CB C 13 26.505 0.300 . 1 . . . . 61 ARG CB . 11389 1 730 . 1 1 61 61 ARG CD C 13 43.847 0.300 . 1 . . . . 61 ARG CD . 11389 1 731 . 1 1 61 61 ARG CG C 13 27.489 0.300 . 1 . . . . 61 ARG CG . 11389 1 732 . 1 1 61 61 ARG N N 15 117.231 0.300 . 1 . . . . 61 ARG N . 11389 1 733 . 1 1 62 62 ARG H H 1 8.229 0.030 . 1 . . . . 62 ARG H . 11389 1 734 . 1 1 62 62 ARG HA H 1 4.834 0.030 . 1 . . . . 62 ARG HA . 11389 1 735 . 1 1 62 62 ARG HB2 H 1 2.103 0.030 . 2 . . . . 62 ARG HB2 . 11389 1 736 . 1 1 62 62 ARG HB3 H 1 1.282 0.030 . 2 . . . . 62 ARG HB3 . 11389 1 737 . 1 1 62 62 ARG HD2 H 1 3.183 0.030 . 1 . . . . 62 ARG HD2 . 11389 1 738 . 1 1 62 62 ARG HD3 H 1 3.183 0.030 . 1 . . . . 62 ARG HD3 . 11389 1 739 . 1 1 62 62 ARG HG2 H 1 1.542 0.030 . 2 . . . . 62 ARG HG2 . 11389 1 740 . 1 1 62 62 ARG HG3 H 1 1.447 0.030 . 2 . . . . 62 ARG HG3 . 11389 1 741 . 1 1 62 62 ARG C C 13 177.376 0.300 . 1 . . . . 62 ARG C . 11389 1 742 . 1 1 62 62 ARG CA C 13 55.588 0.300 . 1 . . . . 62 ARG CA . 11389 1 743 . 1 1 62 62 ARG CB C 13 31.408 0.300 . 1 . . . . 62 ARG CB . 11389 1 744 . 1 1 62 62 ARG CD C 13 43.428 0.300 . 1 . . . . 62 ARG CD . 11389 1 745 . 1 1 62 62 ARG CG C 13 29.239 0.300 . 1 . . . . 62 ARG CG . 11389 1 746 . 1 1 62 62 ARG N N 15 116.143 0.300 . 1 . . . . 62 ARG N . 11389 1 747 . 1 1 63 63 TRP H H 1 8.177 0.030 . 1 . . . . 63 TRP H . 11389 1 748 . 1 1 63 63 TRP HA H 1 3.799 0.030 . 1 . . . . 63 TRP HA . 11389 1 749 . 1 1 63 63 TRP HB2 H 1 3.165 0.030 . 2 . . . . 63 TRP HB2 . 11389 1 750 . 1 1 63 63 TRP HB3 H 1 3.254 0.030 . 2 . . . . 63 TRP HB3 . 11389 1 751 . 1 1 63 63 TRP HD1 H 1 7.462 0.030 . 1 . . . . 63 TRP HD1 . 11389 1 752 . 1 1 63 63 TRP HE1 H 1 9.419 0.030 . 1 . . . . 63 TRP HE1 . 11389 1 753 . 1 1 63 63 TRP HE3 H 1 7.387 0.030 . 1 . . . . 63 TRP HE3 . 11389 1 754 . 1 1 63 63 TRP HH2 H 1 6.535 0.030 . 1 . . . . 63 TRP HH2 . 11389 1 755 . 1 1 63 63 TRP HZ2 H 1 7.217 0.030 . 1 . . . . 63 TRP HZ2 . 11389 1 756 . 1 1 63 63 TRP HZ3 H 1 6.632 0.030 . 1 . . . . 63 TRP HZ3 . 11389 1 757 . 1 1 63 63 TRP C C 13 178.490 0.300 . 1 . . . . 63 TRP C . 11389 1 758 . 1 1 63 63 TRP CA C 13 62.134 0.300 . 1 . . . . 63 TRP CA . 11389 1 759 . 1 1 63 63 TRP CB C 13 26.845 0.300 . 1 . . . . 63 TRP CB . 11389 1 760 . 1 1 63 63 TRP CD1 C 13 125.949 0.300 . 1 . . . . 63 TRP CD1 . 11389 1 761 . 1 1 63 63 TRP CE3 C 13 120.333 0.300 . 1 . . . . 63 TRP CE3 . 11389 1 762 . 1 1 63 63 TRP CH2 C 13 123.532 0.300 . 1 . . . . 63 TRP CH2 . 11389 1 763 . 1 1 63 63 TRP CZ2 C 13 113.425 0.300 . 1 . . . . 63 TRP CZ2 . 11389 1 764 . 1 1 63 63 TRP CZ3 C 13 120.867 0.300 . 1 . . . . 63 TRP CZ3 . 11389 1 765 . 1 1 63 63 TRP N N 15 121.497 0.300 . 1 . . . . 63 TRP N . 11389 1 766 . 1 1 63 63 TRP NE1 N 15 128.823 0.300 . 1 . . . . 63 TRP NE1 . 11389 1 767 . 1 1 64 64 ALA H H 1 8.968 0.030 . 1 . . . . 64 ALA H . 11389 1 768 . 1 1 64 64 ALA HA H 1 4.303 0.030 . 1 . . . . 64 ALA HA . 11389 1 769 . 1 1 64 64 ALA HB1 H 1 1.515 0.030 . 1 . . . . 64 ALA HB . 11389 1 770 . 1 1 64 64 ALA HB2 H 1 1.515 0.030 . 1 . . . . 64 ALA HB . 11389 1 771 . 1 1 64 64 ALA HB3 H 1 1.515 0.030 . 1 . . . . 64 ALA HB . 11389 1 772 . 1 1 64 64 ALA C C 13 180.719 0.300 . 1 . . . . 64 ALA C . 11389 1 773 . 1 1 64 64 ALA CA C 13 55.294 0.300 . 1 . . . . 64 ALA CA . 11389 1 774 . 1 1 64 64 ALA CB C 13 18.130 0.300 . 1 . . . . 64 ALA CB . 11389 1 775 . 1 1 64 64 ALA N N 15 121.605 0.300 . 1 . . . . 64 ALA N . 11389 1 776 . 1 1 65 65 ARG H H 1 7.449 0.030 . 1 . . . . 65 ARG H . 11389 1 777 . 1 1 65 65 ARG HA H 1 4.164 0.030 . 1 . . . . 65 ARG HA . 11389 1 778 . 1 1 65 65 ARG HB2 H 1 1.925 0.030 . 2 . . . . 65 ARG HB2 . 11389 1 779 . 1 1 65 65 ARG HB3 H 1 2.007 0.030 . 2 . . . . 65 ARG HB3 . 11389 1 780 . 1 1 65 65 ARG HD2 H 1 3.063 0.030 . 2 . . . . 65 ARG HD2 . 11389 1 781 . 1 1 65 65 ARG HD3 H 1 3.333 0.030 . 2 . . . . 65 ARG HD3 . 11389 1 782 . 1 1 65 65 ARG HG2 H 1 1.656 0.030 . 2 . . . . 65 ARG HG2 . 11389 1 783 . 1 1 65 65 ARG HG3 H 1 1.398 0.030 . 2 . . . . 65 ARG HG3 . 11389 1 784 . 1 1 65 65 ARG C C 13 178.214 0.300 . 1 . . . . 65 ARG C . 11389 1 785 . 1 1 65 65 ARG CA C 13 57.668 0.300 . 1 . . . . 65 ARG CA . 11389 1 786 . 1 1 65 65 ARG CB C 13 28.931 0.300 . 1 . . . . 65 ARG CB . 11389 1 787 . 1 1 65 65 ARG CD C 13 42.868 0.300 . 1 . . . . 65 ARG CD . 11389 1 788 . 1 1 65 65 ARG CG C 13 26.702 0.300 . 1 . . . . 65 ARG CG . 11389 1 789 . 1 1 65 65 ARG N N 15 119.983 0.300 . 1 . . . . 65 ARG N . 11389 1 790 . 1 1 66 66 VAL H H 1 7.097 0.030 . 1 . . . . 66 VAL H . 11389 1 791 . 1 1 66 66 VAL HA H 1 3.246 0.030 . 1 . . . . 66 VAL HA . 11389 1 792 . 1 1 66 66 VAL HB H 1 2.540 0.030 . 1 . . . . 66 VAL HB . 11389 1 793 . 1 1 66 66 VAL HG11 H 1 0.933 0.030 . 1 . . . . 66 VAL HG1 . 11389 1 794 . 1 1 66 66 VAL HG12 H 1 0.933 0.030 . 1 . . . . 66 VAL HG1 . 11389 1 795 . 1 1 66 66 VAL HG13 H 1 0.933 0.030 . 1 . . . . 66 VAL HG1 . 11389 1 796 . 1 1 66 66 VAL HG21 H 1 0.497 0.030 . 1 . . . . 66 VAL HG2 . 11389 1 797 . 1 1 66 66 VAL HG22 H 1 0.497 0.030 . 1 . . . . 66 VAL HG2 . 11389 1 798 . 1 1 66 66 VAL HG23 H 1 0.497 0.030 . 1 . . . . 66 VAL HG2 . 11389 1 799 . 1 1 66 66 VAL C C 13 176.904 0.300 . 1 . . . . 66 VAL C . 11389 1 800 . 1 1 66 66 VAL CA C 13 66.744 0.300 . 1 . . . . 66 VAL CA . 11389 1 801 . 1 1 66 66 VAL CB C 13 31.137 0.300 . 1 . . . . 66 VAL CB . 11389 1 802 . 1 1 66 66 VAL CG1 C 13 21.209 0.300 . 2 . . . . 66 VAL CG1 . 11389 1 803 . 1 1 66 66 VAL CG2 C 13 22.366 0.300 . 2 . . . . 66 VAL CG2 . 11389 1 804 . 1 1 66 66 VAL N N 15 119.975 0.300 . 1 . . . . 66 VAL N . 11389 1 805 . 1 1 67 67 ALA H H 1 7.751 0.030 . 1 . . . . 67 ALA H . 11389 1 806 . 1 1 67 67 ALA HA H 1 4.054 0.030 . 1 . . . . 67 ALA HA . 11389 1 807 . 1 1 67 67 ALA HB1 H 1 1.420 0.030 . 1 . . . . 67 ALA HB . 11389 1 808 . 1 1 67 67 ALA HB2 H 1 1.420 0.030 . 1 . . . . 67 ALA HB . 11389 1 809 . 1 1 67 67 ALA HB3 H 1 1.420 0.030 . 1 . . . . 67 ALA HB . 11389 1 810 . 1 1 67 67 ALA C C 13 178.909 0.300 . 1 . . . . 67 ALA C . 11389 1 811 . 1 1 67 67 ALA CA C 13 55.597 0.300 . 1 . . . . 67 ALA CA . 11389 1 812 . 1 1 67 67 ALA CB C 13 18.055 0.300 . 1 . . . . 67 ALA CB . 11389 1 813 . 1 1 67 67 ALA N N 15 118.119 0.300 . 1 . . . . 67 ALA N . 11389 1 814 . 1 1 68 68 GLN H H 1 7.952 0.030 . 1 . . . . 68 GLN H . 11389 1 815 . 1 1 68 68 GLN HA H 1 4.198 0.030 . 1 . . . . 68 GLN HA . 11389 1 816 . 1 1 68 68 GLN HB2 H 1 2.290 0.030 . 2 . . . . 68 GLN HB2 . 11389 1 817 . 1 1 68 68 GLN HB3 H 1 2.187 0.030 . 2 . . . . 68 GLN HB3 . 11389 1 818 . 1 1 68 68 GLN HE21 H 1 6.825 0.030 . 2 . . . . 68 GLN HE21 . 11389 1 819 . 1 1 68 68 GLN HE22 H 1 7.597 0.030 . 2 . . . . 68 GLN HE22 . 11389 1 820 . 1 1 68 68 GLN HG2 H 1 2.540 0.030 . 2 . . . . 68 GLN HG2 . 11389 1 821 . 1 1 68 68 GLN HG3 H 1 2.271 0.030 . 2 . . . . 68 GLN HG3 . 11389 1 822 . 1 1 68 68 GLN C C 13 180.990 0.300 . 1 . . . . 68 GLN C . 11389 1 823 . 1 1 68 68 GLN CA C 13 59.155 0.300 . 1 . . . . 68 GLN CA . 11389 1 824 . 1 1 68 68 GLN CB C 13 29.125 0.300 . 1 . . . . 68 GLN CB . 11389 1 825 . 1 1 68 68 GLN CG C 13 33.770 0.300 . 1 . . . . 68 GLN CG . 11389 1 826 . 1 1 68 68 GLN N N 15 118.353 0.300 . 1 . . . . 68 GLN N . 11389 1 827 . 1 1 68 68 GLN NE2 N 15 112.259 0.300 . 1 . . . . 68 GLN NE2 . 11389 1 828 . 1 1 69 69 ARG H H 1 8.324 0.030 . 1 . . . . 69 ARG H . 11389 1 829 . 1 1 69 69 ARG HA H 1 3.935 0.030 . 1 . . . . 69 ARG HA . 11389 1 830 . 1 1 69 69 ARG HB2 H 1 1.890 0.030 . 1 . . . . 69 ARG HB2 . 11389 1 831 . 1 1 69 69 ARG HB3 H 1 1.890 0.030 . 1 . . . . 69 ARG HB3 . 11389 1 832 . 1 1 69 69 ARG HD2 H 1 3.201 0.030 . 2 . . . . 69 ARG HD2 . 11389 1 833 . 1 1 69 69 ARG HD3 H 1 2.926 0.030 . 2 . . . . 69 ARG HD3 . 11389 1 834 . 1 1 69 69 ARG HG2 H 1 1.530 0.030 . 2 . . . . 69 ARG HG2 . 11389 1 835 . 1 1 69 69 ARG HG3 H 1 1.964 0.030 . 2 . . . . 69 ARG HG3 . 11389 1 836 . 1 1 69 69 ARG C C 13 177.088 0.300 . 1 . . . . 69 ARG C . 11389 1 837 . 1 1 69 69 ARG CA C 13 58.662 0.300 . 1 . . . . 69 ARG CA . 11389 1 838 . 1 1 69 69 ARG CB C 13 29.789 0.300 . 1 . . . . 69 ARG CB . 11389 1 839 . 1 1 69 69 ARG CD C 13 42.833 0.300 . 1 . . . . 69 ARG CD . 11389 1 840 . 1 1 69 69 ARG CG C 13 27.767 0.300 . 1 . . . . 69 ARG CG . 11389 1 841 . 1 1 69 69 ARG N N 15 120.486 0.300 . 1 . . . . 69 ARG N . 11389 1 842 . 1 1 70 70 LEU H H 1 7.218 0.030 . 1 . . . . 70 LEU H . 11389 1 843 . 1 1 70 70 LEU HA H 1 4.093 0.030 . 1 . . . . 70 LEU HA . 11389 1 844 . 1 1 70 70 LEU HB2 H 1 1.816 0.030 . 2 . . . . 70 LEU HB2 . 11389 1 845 . 1 1 70 70 LEU HB3 H 1 1.750 0.030 . 2 . . . . 70 LEU HB3 . 11389 1 846 . 1 1 70 70 LEU HD11 H 1 1.016 0.030 . 1 . . . . 70 LEU HD1 . 11389 1 847 . 1 1 70 70 LEU HD12 H 1 1.016 0.030 . 1 . . . . 70 LEU HD1 . 11389 1 848 . 1 1 70 70 LEU HD13 H 1 1.016 0.030 . 1 . . . . 70 LEU HD1 . 11389 1 849 . 1 1 70 70 LEU HD21 H 1 0.869 0.030 . 1 . . . . 70 LEU HD2 . 11389 1 850 . 1 1 70 70 LEU HD22 H 1 0.869 0.030 . 1 . . . . 70 LEU HD2 . 11389 1 851 . 1 1 70 70 LEU HD23 H 1 0.869 0.030 . 1 . . . . 70 LEU HD2 . 11389 1 852 . 1 1 70 70 LEU HG H 1 1.669 0.030 . 1 . . . . 70 LEU HG . 11389 1 853 . 1 1 70 70 LEU C C 13 174.696 0.300 . 1 . . . . 70 LEU C . 11389 1 854 . 1 1 70 70 LEU CA C 13 54.712 0.300 . 1 . . . . 70 LEU CA . 11389 1 855 . 1 1 70 70 LEU CB C 13 42.739 0.300 . 1 . . . . 70 LEU CB . 11389 1 856 . 1 1 70 70 LEU CD1 C 13 27.369 0.300 . 2 . . . . 70 LEU CD1 . 11389 1 857 . 1 1 70 70 LEU CD2 C 13 23.807 0.300 . 2 . . . . 70 LEU CD2 . 11389 1 858 . 1 1 70 70 LEU CG C 13 27.392 0.300 . 1 . . . . 70 LEU CG . 11389 1 859 . 1 1 70 70 LEU N N 15 118.288 0.300 . 1 . . . . 70 LEU N . 11389 1 860 . 1 1 71 71 HIS H H 1 7.662 0.030 . 1 . . . . 71 HIS H . 11389 1 861 . 1 1 71 71 HIS HA H 1 4.204 0.030 . 1 . . . . 71 HIS HA . 11389 1 862 . 1 1 71 71 HIS HB2 H 1 3.333 0.030 . 2 . . . . 71 HIS HB2 . 11389 1 863 . 1 1 71 71 HIS HB3 H 1 3.233 0.030 . 2 . . . . 71 HIS HB3 . 11389 1 864 . 1 1 71 71 HIS HD2 H 1 6.897 0.030 . 1 . . . . 71 HIS HD2 . 11389 1 865 . 1 1 71 71 HIS HE1 H 1 7.982 0.030 . 1 . . . . 71 HIS HE1 . 11389 1 866 . 1 1 71 71 HIS C C 13 174.815 0.300 . 1 . . . . 71 HIS C . 11389 1 867 . 1 1 71 71 HIS CA C 13 57.081 0.300 . 1 . . . . 71 HIS CA . 11389 1 868 . 1 1 71 71 HIS CB C 13 26.123 0.300 . 1 . . . . 71 HIS CB . 11389 1 869 . 1 1 71 71 HIS CD2 C 13 119.901 0.300 . 1 . . . . 71 HIS CD2 . 11389 1 870 . 1 1 71 71 HIS CE1 C 13 137.782 0.300 . 1 . . . . 71 HIS CE1 . 11389 1 871 . 1 1 71 71 HIS N N 15 111.170 0.300 . 1 . . . . 71 HIS N . 11389 1 872 . 1 1 72 72 TYR H H 1 7.848 0.030 . 1 . . . . 72 TYR H . 11389 1 873 . 1 1 72 72 TYR HA H 1 4.836 0.030 . 1 . . . . 72 TYR HA . 11389 1 874 . 1 1 72 72 TYR HB2 H 1 3.047 0.030 . 2 . . . . 72 TYR HB2 . 11389 1 875 . 1 1 72 72 TYR HB3 H 1 2.522 0.030 . 2 . . . . 72 TYR HB3 . 11389 1 876 . 1 1 72 72 TYR HD1 H 1 7.216 0.030 . 1 . . . . 72 TYR HD1 . 11389 1 877 . 1 1 72 72 TYR HD2 H 1 7.216 0.030 . 1 . . . . 72 TYR HD2 . 11389 1 878 . 1 1 72 72 TYR HE1 H 1 6.750 0.030 . 1 . . . . 72 TYR HE1 . 11389 1 879 . 1 1 72 72 TYR HE2 H 1 6.750 0.030 . 1 . . . . 72 TYR HE2 . 11389 1 880 . 1 1 72 72 TYR C C 13 173.809 0.300 . 1 . . . . 72 TYR C . 11389 1 881 . 1 1 72 72 TYR CA C 13 57.173 0.300 . 1 . . . . 72 TYR CA . 11389 1 882 . 1 1 72 72 TYR CB C 13 37.535 0.300 . 1 . . . . 72 TYR CB . 11389 1 883 . 1 1 72 72 TYR CD1 C 13 132.687 0.300 . 1 . . . . 72 TYR CD1 . 11389 1 884 . 1 1 72 72 TYR CD2 C 13 132.687 0.300 . 1 . . . . 72 TYR CD2 . 11389 1 885 . 1 1 72 72 TYR CE1 C 13 118.503 0.300 . 1 . . . . 72 TYR CE1 . 11389 1 886 . 1 1 72 72 TYR CE2 C 13 118.503 0.300 . 1 . . . . 72 TYR CE2 . 11389 1 887 . 1 1 72 72 TYR N N 15 118.340 0.300 . 1 . . . . 72 TYR N . 11389 1 888 . 1 1 73 73 PRO HA H 1 4.813 0.030 . 1 . . . . 73 PRO HA . 11389 1 889 . 1 1 73 73 PRO HB2 H 1 1.956 0.030 . 2 . . . . 73 PRO HB2 . 11389 1 890 . 1 1 73 73 PRO HB3 H 1 2.434 0.030 . 2 . . . . 73 PRO HB3 . 11389 1 891 . 1 1 73 73 PRO HD2 H 1 4.110 0.030 . 2 . . . . 73 PRO HD2 . 11389 1 892 . 1 1 73 73 PRO HD3 H 1 3.710 0.030 . 2 . . . . 73 PRO HD3 . 11389 1 893 . 1 1 73 73 PRO HG2 H 1 2.194 0.030 . 2 . . . . 73 PRO HG2 . 11389 1 894 . 1 1 73 73 PRO HG3 H 1 2.066 0.030 . 2 . . . . 73 PRO HG3 . 11389 1 895 . 1 1 73 73 PRO CA C 13 61.130 0.300 . 1 . . . . 73 PRO CA . 11389 1 896 . 1 1 73 73 PRO CB C 13 31.162 0.300 . 1 . . . . 73 PRO CB . 11389 1 897 . 1 1 73 73 PRO CD C 13 50.661 0.300 . 1 . . . . 73 PRO CD . 11389 1 898 . 1 1 73 73 PRO CG C 13 27.424 0.300 . 1 . . . . 73 PRO CG . 11389 1 899 . 1 1 74 74 PRO HA H 1 4.626 0.030 . 1 . . . . 74 PRO HA . 11389 1 900 . 1 1 74 74 PRO HB2 H 1 2.241 0.030 . 2 . . . . 74 PRO HB2 . 11389 1 901 . 1 1 74 74 PRO HB3 H 1 2.053 0.030 . 2 . . . . 74 PRO HB3 . 11389 1 902 . 1 1 74 74 PRO HD2 H 1 3.739 0.030 . 1 . . . . 74 PRO HD2 . 11389 1 903 . 1 1 74 74 PRO HD3 H 1 3.739 0.030 . 1 . . . . 74 PRO HD3 . 11389 1 904 . 1 1 74 74 PRO HG2 H 1 1.960 0.030 . 2 . . . . 74 PRO HG2 . 11389 1 905 . 1 1 74 74 PRO HG3 H 1 2.085 0.030 . 2 . . . . 74 PRO HG3 . 11389 1 906 . 1 1 74 74 PRO C C 13 177.381 0.300 . 1 . . . . 74 PRO C . 11389 1 907 . 1 1 74 74 PRO CA C 13 62.372 0.300 . 1 . . . . 74 PRO CA . 11389 1 908 . 1 1 74 74 PRO CB C 13 32.348 0.300 . 1 . . . . 74 PRO CB . 11389 1 909 . 1 1 74 74 PRO CD C 13 50.244 0.300 . 1 . . . . 74 PRO CD . 11389 1 910 . 1 1 74 74 PRO CG C 13 26.706 0.300 . 1 . . . . 74 PRO CG . 11389 1 911 . 1 1 75 75 GLY H H 1 8.407 0.030 . 1 . . . . 75 GLY H . 11389 1 912 . 1 1 75 75 GLY HA2 H 1 4.061 0.030 . 2 . . . . 75 GLY HA2 . 11389 1 913 . 1 1 75 75 GLY HA3 H 1 3.922 0.030 . 2 . . . . 75 GLY HA3 . 11389 1 914 . 1 1 75 75 GLY C C 13 175.022 0.300 . 1 . . . . 75 GLY C . 11389 1 915 . 1 1 75 75 GLY CA C 13 46.287 0.300 . 1 . . . . 75 GLY CA . 11389 1 916 . 1 1 75 75 GLY N N 15 105.751 0.300 . 1 . . . . 75 GLY N . 11389 1 917 . 1 1 76 76 LYS H H 1 8.647 0.030 . 1 . . . . 76 LYS H . 11389 1 918 . 1 1 76 76 LYS HA H 1 4.484 0.030 . 1 . . . . 76 LYS HA . 11389 1 919 . 1 1 76 76 LYS HB2 H 1 2.012 0.030 . 2 . . . . 76 LYS HB2 . 11389 1 920 . 1 1 76 76 LYS HB3 H 1 1.477 0.030 . 2 . . . . 76 LYS HB3 . 11389 1 921 . 1 1 76 76 LYS HD2 H 1 1.636 0.030 . 1 . . . . 76 LYS HD2 . 11389 1 922 . 1 1 76 76 LYS HD3 H 1 1.636 0.030 . 1 . . . . 76 LYS HD3 . 11389 1 923 . 1 1 76 76 LYS HE2 H 1 2.964 0.030 . 1 . . . . 76 LYS HE2 . 11389 1 924 . 1 1 76 76 LYS HE3 H 1 2.964 0.030 . 1 . . . . 76 LYS HE3 . 11389 1 925 . 1 1 76 76 LYS HG2 H 1 1.297 0.030 . 2 . . . . 76 LYS HG2 . 11389 1 926 . 1 1 76 76 LYS HG3 H 1 1.417 0.030 . 2 . . . . 76 LYS HG3 . 11389 1 927 . 1 1 76 76 LYS C C 13 176.243 0.300 . 1 . . . . 76 LYS C . 11389 1 928 . 1 1 76 76 LYS CA C 13 55.750 0.300 . 1 . . . . 76 LYS CA . 11389 1 929 . 1 1 76 76 LYS CB C 13 33.333 0.300 . 1 . . . . 76 LYS CB . 11389 1 930 . 1 1 76 76 LYS CD C 13 29.299 0.300 . 1 . . . . 76 LYS CD . 11389 1 931 . 1 1 76 76 LYS CE C 13 42.064 0.300 . 1 . . . . 76 LYS CE . 11389 1 932 . 1 1 76 76 LYS CG C 13 24.793 0.300 . 1 . . . . 76 LYS CG . 11389 1 933 . 1 1 76 76 LYS N N 15 119.386 0.300 . 1 . . . . 76 LYS N . 11389 1 934 . 1 1 77 77 ASN HA H 1 4.618 0.030 . 1 . . . . 77 ASN HA . 11389 1 935 . 1 1 77 77 ASN HB2 H 1 3.074 0.030 . 2 . . . . 77 ASN HB2 . 11389 1 936 . 1 1 77 77 ASN HB3 H 1 2.710 0.030 . 2 . . . . 77 ASN HB3 . 11389 1 937 . 1 1 77 77 ASN HD21 H 1 7.603 0.030 . 2 . . . . 77 ASN HD21 . 11389 1 938 . 1 1 77 77 ASN HD22 H 1 6.943 0.030 . 2 . . . . 77 ASN HD22 . 11389 1 939 . 1 1 77 77 ASN C C 13 176.290 0.300 . 1 . . . . 77 ASN C . 11389 1 940 . 1 1 77 77 ASN CA C 13 54.154 0.300 . 1 . . . . 77 ASN CA . 11389 1 941 . 1 1 77 77 ASN CB C 13 37.722 0.300 . 1 . . . . 77 ASN CB . 11389 1 942 . 1 1 77 77 ASN ND2 N 15 113.314 0.300 . 1 . . . . 77 ASN ND2 . 11389 1 943 . 1 1 78 78 ILE H H 1 8.045 0.030 . 1 . . . . 78 ILE H . 11389 1 944 . 1 1 78 78 ILE HA H 1 3.651 0.030 . 1 . . . . 78 ILE HA . 11389 1 945 . 1 1 78 78 ILE HB H 1 1.693 0.030 . 1 . . . . 78 ILE HB . 11389 1 946 . 1 1 78 78 ILE HD11 H 1 0.784 0.030 . 1 . . . . 78 ILE HD1 . 11389 1 947 . 1 1 78 78 ILE HD12 H 1 0.784 0.030 . 1 . . . . 78 ILE HD1 . 11389 1 948 . 1 1 78 78 ILE HD13 H 1 0.784 0.030 . 1 . . . . 78 ILE HD1 . 11389 1 949 . 1 1 78 78 ILE HG12 H 1 1.416 0.030 . 2 . . . . 78 ILE HG12 . 11389 1 950 . 1 1 78 78 ILE HG13 H 1 1.011 0.030 . 2 . . . . 78 ILE HG13 . 11389 1 951 . 1 1 78 78 ILE HG21 H 1 0.443 0.030 . 1 . . . . 78 ILE HG2 . 11389 1 952 . 1 1 78 78 ILE HG22 H 1 0.443 0.030 . 1 . . . . 78 ILE HG2 . 11389 1 953 . 1 1 78 78 ILE HG23 H 1 0.443 0.030 . 1 . . . . 78 ILE HG2 . 11389 1 954 . 1 1 78 78 ILE C C 13 177.605 0.300 . 1 . . . . 78 ILE C . 11389 1 955 . 1 1 78 78 ILE CA C 13 63.888 0.300 . 1 . . . . 78 ILE CA . 11389 1 956 . 1 1 78 78 ILE CB C 13 37.225 0.300 . 1 . . . . 78 ILE CB . 11389 1 957 . 1 1 78 78 ILE CD1 C 13 13.306 0.300 . 1 . . . . 78 ILE CD1 . 11389 1 958 . 1 1 78 78 ILE CG1 C 13 30.231 0.300 . 1 . . . . 78 ILE CG1 . 11389 1 959 . 1 1 78 78 ILE CG2 C 13 17.955 0.300 . 1 . . . . 78 ILE CG2 . 11389 1 960 . 1 1 78 78 ILE N N 15 119.592 0.300 . 1 . . . . 78 ILE N . 11389 1 961 . 1 1 79 79 GLY H H 1 9.133 0.030 . 1 . . . . 79 GLY H . 11389 1 962 . 1 1 79 79 GLY HA2 H 1 3.714 0.030 . 2 . . . . 79 GLY HA2 . 11389 1 963 . 1 1 79 79 GLY HA3 H 1 3.558 0.030 . 2 . . . . 79 GLY HA3 . 11389 1 964 . 1 1 79 79 GLY C C 13 174.742 0.300 . 1 . . . . 79 GLY C . 11389 1 965 . 1 1 79 79 GLY CA C 13 48.261 0.300 . 1 . . . . 79 GLY CA . 11389 1 966 . 1 1 79 79 GLY N N 15 110.849 0.300 . 1 . . . . 79 GLY N . 11389 1 967 . 1 1 80 80 SER H H 1 7.371 0.030 . 1 . . . . 80 SER H . 11389 1 968 . 1 1 80 80 SER HA H 1 3.875 0.030 . 1 . . . . 80 SER HA . 11389 1 969 . 1 1 80 80 SER HB2 H 1 3.768 0.030 . 1 . . . . 80 SER HB2 . 11389 1 970 . 1 1 80 80 SER HB3 H 1 3.768 0.030 . 1 . . . . 80 SER HB3 . 11389 1 971 . 1 1 80 80 SER C C 13 176.562 0.300 . 1 . . . . 80 SER C . 11389 1 972 . 1 1 80 80 SER CA C 13 61.266 0.300 . 1 . . . . 80 SER CA . 11389 1 973 . 1 1 80 80 SER CB C 13 62.609 0.300 . 1 . . . . 80 SER CB . 11389 1 974 . 1 1 80 80 SER N N 15 115.208 0.300 . 1 . . . . 80 SER N . 11389 1 975 . 1 1 81 81 LEU H H 1 7.259 0.030 . 1 . . . . 81 LEU H . 11389 1 976 . 1 1 81 81 LEU HA H 1 3.924 0.030 . 1 . . . . 81 LEU HA . 11389 1 977 . 1 1 81 81 LEU HB2 H 1 1.764 0.030 . 2 . . . . 81 LEU HB2 . 11389 1 978 . 1 1 81 81 LEU HB3 H 1 1.611 0.030 . 2 . . . . 81 LEU HB3 . 11389 1 979 . 1 1 81 81 LEU HD11 H 1 0.927 0.030 . 1 . . . . 81 LEU HD1 . 11389 1 980 . 1 1 81 81 LEU HD12 H 1 0.927 0.030 . 1 . . . . 81 LEU HD1 . 11389 1 981 . 1 1 81 81 LEU HD13 H 1 0.927 0.030 . 1 . . . . 81 LEU HD1 . 11389 1 982 . 1 1 81 81 LEU HD21 H 1 0.855 0.030 . 1 . . . . 81 LEU HD2 . 11389 1 983 . 1 1 81 81 LEU HD22 H 1 0.855 0.030 . 1 . . . . 81 LEU HD2 . 11389 1 984 . 1 1 81 81 LEU HD23 H 1 0.855 0.030 . 1 . . . . 81 LEU HD2 . 11389 1 985 . 1 1 81 81 LEU HG H 1 1.504 0.030 . 1 . . . . 81 LEU HG . 11389 1 986 . 1 1 81 81 LEU C C 13 178.571 0.300 . 1 . . . . 81 LEU C . 11389 1 987 . 1 1 81 81 LEU CA C 13 57.390 0.300 . 1 . . . . 81 LEU CA . 11389 1 988 . 1 1 81 81 LEU CB C 13 42.140 0.300 . 1 . . . . 81 LEU CB . 11389 1 989 . 1 1 81 81 LEU CD1 C 13 24.727 0.300 . 2 . . . . 81 LEU CD1 . 11389 1 990 . 1 1 81 81 LEU CD2 C 13 24.256 0.300 . 2 . . . . 81 LEU CD2 . 11389 1 991 . 1 1 81 81 LEU CG C 13 26.765 0.300 . 1 . . . . 81 LEU CG . 11389 1 992 . 1 1 81 81 LEU N N 15 124.325 0.300 . 1 . . . . 81 LEU N . 11389 1 993 . 1 1 82 82 LEU H H 1 8.386 0.030 . 1 . . . . 82 LEU H . 11389 1 994 . 1 1 82 82 LEU HA H 1 3.898 0.030 . 1 . . . . 82 LEU HA . 11389 1 995 . 1 1 82 82 LEU HB2 H 1 2.190 0.030 . 2 . . . . 82 LEU HB2 . 11389 1 996 . 1 1 82 82 LEU HB3 H 1 1.402 0.030 . 2 . . . . 82 LEU HB3 . 11389 1 997 . 1 1 82 82 LEU HD11 H 1 0.996 0.030 . 1 . . . . 82 LEU HD1 . 11389 1 998 . 1 1 82 82 LEU HD12 H 1 0.996 0.030 . 1 . . . . 82 LEU HD1 . 11389 1 999 . 1 1 82 82 LEU HD13 H 1 0.996 0.030 . 1 . . . . 82 LEU HD1 . 11389 1 1000 . 1 1 82 82 LEU HD21 H 1 0.874 0.030 . 1 . . . . 82 LEU HD2 . 11389 1 1001 . 1 1 82 82 LEU HD22 H 1 0.874 0.030 . 1 . . . . 82 LEU HD2 . 11389 1 1002 . 1 1 82 82 LEU HD23 H 1 0.874 0.030 . 1 . . . . 82 LEU HD2 . 11389 1 1003 . 1 1 82 82 LEU HG H 1 1.975 0.030 . 1 . . . . 82 LEU HG . 11389 1 1004 . 1 1 82 82 LEU C C 13 177.899 0.300 . 1 . . . . 82 LEU C . 11389 1 1005 . 1 1 82 82 LEU CA C 13 57.869 0.300 . 1 . . . . 82 LEU CA . 11389 1 1006 . 1 1 82 82 LEU CB C 13 40.948 0.300 . 1 . . . . 82 LEU CB . 11389 1 1007 . 1 1 82 82 LEU CD1 C 13 26.912 0.300 . 2 . . . . 82 LEU CD1 . 11389 1 1008 . 1 1 82 82 LEU CD2 C 13 22.854 0.300 . 2 . . . . 82 LEU CD2 . 11389 1 1009 . 1 1 82 82 LEU CG C 13 26.111 0.300 . 1 . . . . 82 LEU CG . 11389 1 1010 . 1 1 82 82 LEU N N 15 117.334 0.300 . 1 . . . . 82 LEU N . 11389 1 1011 . 1 1 83 83 ARG H H 1 7.649 0.030 . 1 . . . . 83 ARG H . 11389 1 1012 . 1 1 83 83 ARG HA H 1 2.212 0.030 . 1 . . . . 83 ARG HA . 11389 1 1013 . 1 1 83 83 ARG HB2 H 1 1.184 0.030 . 2 . . . . 83 ARG HB2 . 11389 1 1014 . 1 1 83 83 ARG HB3 H 1 -0.336 0.030 . 2 . . . . 83 ARG HB3 . 11389 1 1015 . 1 1 83 83 ARG HD2 H 1 2.691 0.030 . 2 . . . . 83 ARG HD2 . 11389 1 1016 . 1 1 83 83 ARG HD3 H 1 2.630 0.030 . 2 . . . . 83 ARG HD3 . 11389 1 1017 . 1 1 83 83 ARG HG2 H 1 0.695 0.030 . 2 . . . . 83 ARG HG2 . 11389 1 1018 . 1 1 83 83 ARG HG3 H 1 1.037 0.030 . 2 . . . . 83 ARG HG3 . 11389 1 1019 . 1 1 83 83 ARG C C 13 177.481 0.300 . 1 . . . . 83 ARG C . 11389 1 1020 . 1 1 83 83 ARG CA C 13 59.126 0.300 . 1 . . . . 83 ARG CA . 11389 1 1021 . 1 1 83 83 ARG CB C 13 28.396 0.300 . 1 . . . . 83 ARG CB . 11389 1 1022 . 1 1 83 83 ARG CD C 13 43.987 0.300 . 1 . . . . 83 ARG CD . 11389 1 1023 . 1 1 83 83 ARG CG C 13 26.836 0.300 . 1 . . . . 83 ARG CG . 11389 1 1024 . 1 1 83 83 ARG N N 15 119.667 0.300 . 1 . . . . 83 ARG N . 11389 1 1025 . 1 1 84 84 SER H H 1 7.223 0.030 . 1 . . . . 84 SER H . 11389 1 1026 . 1 1 84 84 SER HA H 1 4.151 0.030 . 1 . . . . 84 SER HA . 11389 1 1027 . 1 1 84 84 SER HB2 H 1 3.736 0.030 . 1 . . . . 84 SER HB2 . 11389 1 1028 . 1 1 84 84 SER HB3 H 1 3.736 0.030 . 1 . . . . 84 SER HB3 . 11389 1 1029 . 1 1 84 84 SER C C 13 177.280 0.300 . 1 . . . . 84 SER C . 11389 1 1030 . 1 1 84 84 SER CA C 13 61.513 0.300 . 1 . . . . 84 SER CA . 11389 1 1031 . 1 1 84 84 SER CB C 13 62.570 0.300 . 1 . . . . 84 SER CB . 11389 1 1032 . 1 1 84 84 SER N N 15 112.947 0.300 . 1 . . . . 84 SER N . 11389 1 1033 . 1 1 85 85 HIS H H 1 8.128 0.030 . 1 . . . . 85 HIS H . 11389 1 1034 . 1 1 85 85 HIS HA H 1 4.740 0.030 . 1 . . . . 85 HIS HA . 11389 1 1035 . 1 1 85 85 HIS HB2 H 1 2.672 0.030 . 2 . . . . 85 HIS HB2 . 11389 1 1036 . 1 1 85 85 HIS HB3 H 1 2.898 0.030 . 2 . . . . 85 HIS HB3 . 11389 1 1037 . 1 1 85 85 HIS HD2 H 1 6.292 0.030 . 1 . . . . 85 HIS HD2 . 11389 1 1038 . 1 1 85 85 HIS HE1 H 1 7.711 0.030 . 1 . . . . 85 HIS HE1 . 11389 1 1039 . 1 1 85 85 HIS C C 13 178.261 0.300 . 1 . . . . 85 HIS C . 11389 1 1040 . 1 1 85 85 HIS CA C 13 58.871 0.300 . 1 . . . . 85 HIS CA . 11389 1 1041 . 1 1 85 85 HIS CB C 13 31.081 0.300 . 1 . . . . 85 HIS CB . 11389 1 1042 . 1 1 85 85 HIS CD2 C 13 116.505 0.300 . 1 . . . . 85 HIS CD2 . 11389 1 1043 . 1 1 85 85 HIS CE1 C 13 139.468 0.300 . 1 . . . . 85 HIS CE1 . 11389 1 1044 . 1 1 85 85 HIS N N 15 119.521 0.300 . 1 . . . . 85 HIS N . 11389 1 1045 . 1 1 86 86 TYR H H 1 9.198 0.030 . 1 . . . . 86 TYR H . 11389 1 1046 . 1 1 86 86 TYR HA H 1 3.859 0.030 . 1 . . . . 86 TYR HA . 11389 1 1047 . 1 1 86 86 TYR HB2 H 1 3.481 0.030 . 2 . . . . 86 TYR HB2 . 11389 1 1048 . 1 1 86 86 TYR HB3 H 1 3.205 0.030 . 2 . . . . 86 TYR HB3 . 11389 1 1049 . 1 1 86 86 TYR HD1 H 1 6.932 0.030 . 1 . . . . 86 TYR HD1 . 11389 1 1050 . 1 1 86 86 TYR HD2 H 1 6.932 0.030 . 1 . . . . 86 TYR HD2 . 11389 1 1051 . 1 1 86 86 TYR C C 13 178.674 0.300 . 1 . . . . 86 TYR C . 11389 1 1052 . 1 1 86 86 TYR CA C 13 63.495 0.300 . 1 . . . . 86 TYR CA . 11389 1 1053 . 1 1 86 86 TYR CB C 13 39.570 0.300 . 1 . . . . 86 TYR CB . 11389 1 1054 . 1 1 86 86 TYR CD1 C 13 133.143 0.300 . 1 . . . . 86 TYR CD1 . 11389 1 1055 . 1 1 86 86 TYR CD2 C 13 133.143 0.300 . 1 . . . . 86 TYR CD2 . 11389 1 1056 . 1 1 86 86 TYR N N 15 120.872 0.300 . 1 . . . . 86 TYR N . 11389 1 1057 . 1 1 87 87 GLU H H 1 8.978 0.030 . 1 . . . . 87 GLU H . 11389 1 1058 . 1 1 87 87 GLU HA H 1 3.679 0.030 . 1 . . . . 87 GLU HA . 11389 1 1059 . 1 1 87 87 GLU HB2 H 1 2.432 0.030 . 2 . . . . 87 GLU HB2 . 11389 1 1060 . 1 1 87 87 GLU HB3 H 1 1.972 0.030 . 2 . . . . 87 GLU HB3 . 11389 1 1061 . 1 1 87 87 GLU HG2 H 1 2.623 0.030 . 2 . . . . 87 GLU HG2 . 11389 1 1062 . 1 1 87 87 GLU HG3 H 1 2.261 0.030 . 2 . . . . 87 GLU HG3 . 11389 1 1063 . 1 1 87 87 GLU C C 13 177.452 0.300 . 1 . . . . 87 GLU C . 11389 1 1064 . 1 1 87 87 GLU CA C 13 59.484 0.300 . 1 . . . . 87 GLU CA . 11389 1 1065 . 1 1 87 87 GLU CB C 13 29.646 0.300 . 1 . . . . 87 GLU CB . 11389 1 1066 . 1 1 87 87 GLU CG C 13 37.485 0.300 . 1 . . . . 87 GLU CG . 11389 1 1067 . 1 1 87 87 GLU N N 15 119.474 0.300 . 1 . . . . 87 GLU N . 11389 1 1068 . 1 1 88 88 ARG H H 1 8.003 0.030 . 1 . . . . 88 ARG H . 11389 1 1069 . 1 1 88 88 ARG HA H 1 4.267 0.030 . 1 . . . . 88 ARG HA . 11389 1 1070 . 1 1 88 88 ARG HB2 H 1 1.971 0.030 . 2 . . . . 88 ARG HB2 . 11389 1 1071 . 1 1 88 88 ARG HB3 H 1 1.890 0.030 . 2 . . . . 88 ARG HB3 . 11389 1 1072 . 1 1 88 88 ARG HD2 H 1 3.169 0.030 . 1 . . . . 88 ARG HD2 . 11389 1 1073 . 1 1 88 88 ARG HD3 H 1 3.169 0.030 . 1 . . . . 88 ARG HD3 . 11389 1 1074 . 1 1 88 88 ARG HG2 H 1 1.794 0.030 . 2 . . . . 88 ARG HG2 . 11389 1 1075 . 1 1 88 88 ARG HG3 H 1 1.596 0.030 . 2 . . . . 88 ARG HG3 . 11389 1 1076 . 1 1 88 88 ARG C C 13 177.679 0.300 . 1 . . . . 88 ARG C . 11389 1 1077 . 1 1 88 88 ARG CA C 13 58.347 0.300 . 1 . . . . 88 ARG CA . 11389 1 1078 . 1 1 88 88 ARG CB C 13 31.801 0.300 . 1 . . . . 88 ARG CB . 11389 1 1079 . 1 1 88 88 ARG CD C 13 43.288 0.300 . 1 . . . . 88 ARG CD . 11389 1 1080 . 1 1 88 88 ARG CG C 13 28.101 0.300 . 1 . . . . 88 ARG CG . 11389 1 1081 . 1 1 88 88 ARG N N 15 115.022 0.300 . 1 . . . . 88 ARG N . 11389 1 1082 . 1 1 89 89 ILE H H 1 8.161 0.030 . 1 . . . . 89 ILE H . 11389 1 1083 . 1 1 89 89 ILE HA H 1 4.216 0.030 . 1 . . . . 89 ILE HA . 11389 1 1084 . 1 1 89 89 ILE HB H 1 1.784 0.030 . 1 . . . . 89 ILE HB . 11389 1 1085 . 1 1 89 89 ILE HD11 H 1 0.788 0.030 . 1 . . . . 89 ILE HD1 . 11389 1 1086 . 1 1 89 89 ILE HD12 H 1 0.788 0.030 . 1 . . . . 89 ILE HD1 . 11389 1 1087 . 1 1 89 89 ILE HD13 H 1 0.788 0.030 . 1 . . . . 89 ILE HD1 . 11389 1 1088 . 1 1 89 89 ILE HG12 H 1 0.751 0.030 . 2 . . . . 89 ILE HG12 . 11389 1 1089 . 1 1 89 89 ILE HG13 H 1 1.738 0.030 . 2 . . . . 89 ILE HG13 . 11389 1 1090 . 1 1 89 89 ILE HG21 H 1 0.893 0.030 . 1 . . . . 89 ILE HG2 . 11389 1 1091 . 1 1 89 89 ILE HG22 H 1 0.893 0.030 . 1 . . . . 89 ILE HG2 . 11389 1 1092 . 1 1 89 89 ILE HG23 H 1 0.893 0.030 . 1 . . . . 89 ILE HG2 . 11389 1 1093 . 1 1 89 89 ILE C C 13 176.077 0.300 . 1 . . . . 89 ILE C . 11389 1 1094 . 1 1 89 89 ILE CA C 13 63.859 0.300 . 1 . . . . 89 ILE CA . 11389 1 1095 . 1 1 89 89 ILE CB C 13 40.680 0.300 . 1 . . . . 89 ILE CB . 11389 1 1096 . 1 1 89 89 ILE CD1 C 13 14.344 0.300 . 1 . . . . 89 ILE CD1 . 11389 1 1097 . 1 1 89 89 ILE CG1 C 13 27.591 0.300 . 1 . . . . 89 ILE CG1 . 11389 1 1098 . 1 1 89 89 ILE CG2 C 13 18.910 0.300 . 1 . . . . 89 ILE CG2 . 11389 1 1099 . 1 1 89 89 ILE N N 15 113.866 0.300 . 1 . . . . 89 ILE N . 11389 1 1100 . 1 1 90 90 ILE H H 1 7.299 0.030 . 1 . . . . 90 ILE H . 11389 1 1101 . 1 1 90 90 ILE HA H 1 4.154 0.030 . 1 . . . . 90 ILE HA . 11389 1 1102 . 1 1 90 90 ILE HB H 1 1.086 0.030 . 1 . . . . 90 ILE HB . 11389 1 1103 . 1 1 90 90 ILE HD11 H 1 1.116 0.030 . 1 . . . . 90 ILE HD1 . 11389 1 1104 . 1 1 90 90 ILE HD12 H 1 1.116 0.030 . 1 . . . . 90 ILE HD1 . 11389 1 1105 . 1 1 90 90 ILE HD13 H 1 1.116 0.030 . 1 . . . . 90 ILE HD1 . 11389 1 1106 . 1 1 90 90 ILE HG12 H 1 1.599 0.030 . 2 . . . . 90 ILE HG12 . 11389 1 1107 . 1 1 90 90 ILE HG13 H 1 1.244 0.030 . 2 . . . . 90 ILE HG13 . 11389 1 1108 . 1 1 90 90 ILE HG21 H 1 0.911 0.030 . 1 . . . . 90 ILE HG2 . 11389 1 1109 . 1 1 90 90 ILE HG22 H 1 0.911 0.030 . 1 . . . . 90 ILE HG2 . 11389 1 1110 . 1 1 90 90 ILE HG23 H 1 0.911 0.030 . 1 . . . . 90 ILE HG2 . 11389 1 1111 . 1 1 90 90 ILE C C 13 177.074 0.300 . 1 . . . . 90 ILE C . 11389 1 1112 . 1 1 90 90 ILE CA C 13 63.675 0.300 . 1 . . . . 90 ILE CA . 11389 1 1113 . 1 1 90 90 ILE CB C 13 39.075 0.300 . 1 . . . . 90 ILE CB . 11389 1 1114 . 1 1 90 90 ILE CD1 C 13 14.701 0.300 . 1 . . . . 90 ILE CD1 . 11389 1 1115 . 1 1 90 90 ILE CG1 C 13 28.193 0.300 . 1 . . . . 90 ILE CG1 . 11389 1 1116 . 1 1 90 90 ILE CG2 C 13 19.288 0.300 . 1 . . . . 90 ILE CG2 . 11389 1 1117 . 1 1 90 90 ILE N N 15 117.619 0.300 . 1 . . . . 90 ILE N . 11389 1 1118 . 1 1 91 91 TYR H H 1 8.485 0.030 . 1 . . . . 91 TYR H . 11389 1 1119 . 1 1 91 91 TYR HA H 1 4.212 0.030 . 1 . . . . 91 TYR HA . 11389 1 1120 . 1 1 91 91 TYR HB2 H 1 2.711 0.030 . 2 . . . . 91 TYR HB2 . 11389 1 1121 . 1 1 91 91 TYR HB3 H 1 3.273 0.030 . 2 . . . . 91 TYR HB3 . 11389 1 1122 . 1 1 91 91 TYR HD1 H 1 6.931 0.030 . 1 . . . . 91 TYR HD1 . 11389 1 1123 . 1 1 91 91 TYR HD2 H 1 6.931 0.030 . 1 . . . . 91 TYR HD2 . 11389 1 1124 . 1 1 91 91 TYR HE1 H 1 6.830 0.030 . 1 . . . . 91 TYR HE1 . 11389 1 1125 . 1 1 91 91 TYR HE2 H 1 6.830 0.030 . 1 . . . . 91 TYR HE2 . 11389 1 1126 . 1 1 91 91 TYR C C 13 172.941 0.300 . 1 . . . . 91 TYR C . 11389 1 1127 . 1 1 91 91 TYR CA C 13 61.864 0.300 . 1 . . . . 91 TYR CA . 11389 1 1128 . 1 1 91 91 TYR CB C 13 36.910 0.300 . 1 . . . . 91 TYR CB . 11389 1 1129 . 1 1 91 91 TYR CD1 C 13 132.000 0.300 . 1 . . . . 91 TYR CD1 . 11389 1 1130 . 1 1 91 91 TYR CD2 C 13 132.000 0.300 . 1 . . . . 91 TYR CD2 . 11389 1 1131 . 1 1 91 91 TYR CE1 C 13 118.619 0.300 . 1 . . . . 91 TYR CE1 . 11389 1 1132 . 1 1 91 91 TYR CE2 C 13 118.619 0.300 . 1 . . . . 91 TYR CE2 . 11389 1 1133 . 1 1 91 91 TYR N N 15 121.374 0.300 . 1 . . . . 91 TYR N . 11389 1 1134 . 1 1 92 92 PRO HA H 1 4.153 0.030 . 1 . . . . 92 PRO HA . 11389 1 1135 . 1 1 92 92 PRO HB2 H 1 2.595 0.030 . 2 . . . . 92 PRO HB2 . 11389 1 1136 . 1 1 92 92 PRO HB3 H 1 1.746 0.030 . 2 . . . . 92 PRO HB3 . 11389 1 1137 . 1 1 92 92 PRO HD2 H 1 3.207 0.030 . 2 . . . . 92 PRO HD2 . 11389 1 1138 . 1 1 92 92 PRO HD3 H 1 4.294 0.030 . 2 . . . . 92 PRO HD3 . 11389 1 1139 . 1 1 92 92 PRO HG2 H 1 2.205 0.030 . 2 . . . . 92 PRO HG2 . 11389 1 1140 . 1 1 92 92 PRO HG3 H 1 2.472 0.030 . 2 . . . . 92 PRO HG3 . 11389 1 1141 . 1 1 92 92 PRO C C 13 178.670 0.300 . 1 . . . . 92 PRO C . 11389 1 1142 . 1 1 92 92 PRO CA C 13 65.854 0.300 . 1 . . . . 92 PRO CA . 11389 1 1143 . 1 1 92 92 PRO CB C 13 31.505 0.300 . 1 . . . . 92 PRO CB . 11389 1 1144 . 1 1 92 92 PRO CD C 13 50.821 0.300 . 1 . . . . 92 PRO CD . 11389 1 1145 . 1 1 92 92 PRO CG C 13 29.370 0.300 . 1 . . . . 92 PRO CG . 11389 1 1146 . 1 1 93 93 TYR H H 1 6.535 0.030 . 1 . . . . 93 TYR H . 11389 1 1147 . 1 1 93 93 TYR HA H 1 2.793 0.030 . 1 . . . . 93 TYR HA . 11389 1 1148 . 1 1 93 93 TYR HB2 H 1 2.273 0.030 . 2 . . . . 93 TYR HB2 . 11389 1 1149 . 1 1 93 93 TYR HB3 H 1 2.963 0.030 . 2 . . . . 93 TYR HB3 . 11389 1 1150 . 1 1 93 93 TYR HD1 H 1 6.516 0.030 . 1 . . . . 93 TYR HD1 . 11389 1 1151 . 1 1 93 93 TYR HD2 H 1 6.516 0.030 . 1 . . . . 93 TYR HD2 . 11389 1 1152 . 1 1 93 93 TYR HE1 H 1 6.560 0.030 . 1 . . . . 93 TYR HE1 . 11389 1 1153 . 1 1 93 93 TYR HE2 H 1 6.560 0.030 . 1 . . . . 93 TYR HE2 . 11389 1 1154 . 1 1 93 93 TYR C C 13 176.662 0.300 . 1 . . . . 93 TYR C . 11389 1 1155 . 1 1 93 93 TYR CA C 13 59.020 0.300 . 1 . . . . 93 TYR CA . 11389 1 1156 . 1 1 93 93 TYR CB C 13 37.839 0.300 . 1 . . . . 93 TYR CB . 11389 1 1157 . 1 1 93 93 TYR CD1 C 13 132.878 0.300 . 1 . . . . 93 TYR CD1 . 11389 1 1158 . 1 1 93 93 TYR CD2 C 13 132.878 0.300 . 1 . . . . 93 TYR CD2 . 11389 1 1159 . 1 1 93 93 TYR CE1 C 13 117.479 0.300 . 1 . . . . 93 TYR CE1 . 11389 1 1160 . 1 1 93 93 TYR CE2 C 13 117.479 0.300 . 1 . . . . 93 TYR CE2 . 11389 1 1161 . 1 1 93 93 TYR N N 15 115.862 0.300 . 1 . . . . 93 TYR N . 11389 1 1162 . 1 1 94 94 GLU H H 1 8.191 0.030 . 1 . . . . 94 GLU H . 11389 1 1163 . 1 1 94 94 GLU HA H 1 3.605 0.030 . 1 . . . . 94 GLU HA . 11389 1 1164 . 1 1 94 94 GLU HB2 H 1 2.055 0.030 . 2 . . . . 94 GLU HB2 . 11389 1 1165 . 1 1 94 94 GLU HB3 H 1 1.897 0.030 . 2 . . . . 94 GLU HB3 . 11389 1 1166 . 1 1 94 94 GLU HG2 H 1 2.500 0.030 . 2 . . . . 94 GLU HG2 . 11389 1 1167 . 1 1 94 94 GLU HG3 H 1 2.271 0.030 . 2 . . . . 94 GLU HG3 . 11389 1 1168 . 1 1 94 94 GLU C C 13 179.799 0.300 . 1 . . . . 94 GLU C . 11389 1 1169 . 1 1 94 94 GLU CA C 13 59.039 0.300 . 1 . . . . 94 GLU CA . 11389 1 1170 . 1 1 94 94 GLU CB C 13 28.986 0.300 . 1 . . . . 94 GLU CB . 11389 1 1171 . 1 1 94 94 GLU CG C 13 36.919 0.300 . 1 . . . . 94 GLU CG . 11389 1 1172 . 1 1 94 94 GLU N N 15 119.549 0.300 . 1 . . . . 94 GLU N . 11389 1 1173 . 1 1 95 95 MET H H 1 8.131 0.030 . 1 . . . . 95 MET H . 11389 1 1174 . 1 1 95 95 MET HA H 1 4.155 0.030 . 1 . . . . 95 MET HA . 11389 1 1175 . 1 1 95 95 MET HB2 H 1 1.933 0.030 . 2 . . . . 95 MET HB2 . 11389 1 1176 . 1 1 95 95 MET HB3 H 1 1.871 0.030 . 2 . . . . 95 MET HB3 . 11389 1 1177 . 1 1 95 95 MET HE1 H 1 1.861 0.030 . 1 . . . . 95 MET HE . 11389 1 1178 . 1 1 95 95 MET HE2 H 1 1.861 0.030 . 1 . . . . 95 MET HE . 11389 1 1179 . 1 1 95 95 MET HE3 H 1 1.861 0.030 . 1 . . . . 95 MET HE . 11389 1 1180 . 1 1 95 95 MET HG2 H 1 1.699 0.030 . 1 . . . . 95 MET HG2 . 11389 1 1181 . 1 1 95 95 MET HG3 H 1 1.699 0.030 . 1 . . . . 95 MET HG3 . 11389 1 1182 . 1 1 95 95 MET C C 13 178.214 0.300 . 1 . . . . 95 MET C . 11389 1 1183 . 1 1 95 95 MET CA C 13 56.776 0.300 . 1 . . . . 95 MET CA . 11389 1 1184 . 1 1 95 95 MET CB C 13 31.743 0.300 . 1 . . . . 95 MET CB . 11389 1 1185 . 1 1 95 95 MET CE C 13 16.957 0.300 . 1 . . . . 95 MET CE . 11389 1 1186 . 1 1 95 95 MET CG C 13 31.671 0.300 . 1 . . . . 95 MET CG . 11389 1 1187 . 1 1 95 95 MET N N 15 117.054 0.300 . 1 . . . . 95 MET N . 11389 1 1188 . 1 1 96 96 PHE H H 1 7.327 0.030 . 1 . . . . 96 PHE H . 11389 1 1189 . 1 1 96 96 PHE HA H 1 4.280 0.030 . 1 . . . . 96 PHE HA . 11389 1 1190 . 1 1 96 96 PHE HB2 H 1 3.186 0.030 . 2 . . . . 96 PHE HB2 . 11389 1 1191 . 1 1 96 96 PHE HB3 H 1 2.900 0.030 . 2 . . . . 96 PHE HB3 . 11389 1 1192 . 1 1 96 96 PHE HD1 H 1 7.210 0.030 . 1 . . . . 96 PHE HD1 . 11389 1 1193 . 1 1 96 96 PHE HD2 H 1 7.210 0.030 . 1 . . . . 96 PHE HD2 . 11389 1 1194 . 1 1 96 96 PHE HE1 H 1 7.387 0.030 . 1 . . . . 96 PHE HE1 . 11389 1 1195 . 1 1 96 96 PHE HE2 H 1 7.387 0.030 . 1 . . . . 96 PHE HE2 . 11389 1 1196 . 1 1 96 96 PHE HZ H 1 7.322 0.030 . 1 . . . . 96 PHE HZ . 11389 1 1197 . 1 1 96 96 PHE C C 13 177.196 0.300 . 1 . . . . 96 PHE C . 11389 1 1198 . 1 1 96 96 PHE CA C 13 59.919 0.300 . 1 . . . . 96 PHE CA . 11389 1 1199 . 1 1 96 96 PHE CB C 13 39.402 0.300 . 1 . . . . 96 PHE CB . 11389 1 1200 . 1 1 96 96 PHE CD1 C 13 132.248 0.300 . 1 . . . . 96 PHE CD1 . 11389 1 1201 . 1 1 96 96 PHE CD2 C 13 132.248 0.300 . 1 . . . . 96 PHE CD2 . 11389 1 1202 . 1 1 96 96 PHE CE1 C 13 131.432 0.300 . 1 . . . . 96 PHE CE1 . 11389 1 1203 . 1 1 96 96 PHE CE2 C 13 131.432 0.300 . 1 . . . . 96 PHE CE2 . 11389 1 1204 . 1 1 96 96 PHE CZ C 13 129.998 0.300 . 1 . . . . 96 PHE CZ . 11389 1 1205 . 1 1 96 96 PHE N N 15 121.534 0.300 . 1 . . . . 96 PHE N . 11389 1 1206 . 1 1 97 97 GLN H H 1 7.937 0.030 . 1 . . . . 97 GLN H . 11389 1 1207 . 1 1 97 97 GLN HA H 1 3.865 0.030 . 1 . . . . 97 GLN HA . 11389 1 1208 . 1 1 97 97 GLN HB2 H 1 1.768 0.030 . 2 . . . . 97 GLN HB2 . 11389 1 1209 . 1 1 97 97 GLN HB3 H 1 1.867 0.030 . 2 . . . . 97 GLN HB3 . 11389 1 1210 . 1 1 97 97 GLN HE21 H 1 6.789 0.030 . 2 . . . . 97 GLN HE21 . 11389 1 1211 . 1 1 97 97 GLN HE22 H 1 6.703 0.030 . 2 . . . . 97 GLN HE22 . 11389 1 1212 . 1 1 97 97 GLN HG2 H 1 1.964 0.030 . 1 . . . . 97 GLN HG2 . 11389 1 1213 . 1 1 97 97 GLN HG3 H 1 1.964 0.030 . 1 . . . . 97 GLN HG3 . 11389 1 1214 . 1 1 97 97 GLN C C 13 176.544 0.300 . 1 . . . . 97 GLN C . 11389 1 1215 . 1 1 97 97 GLN CA C 13 56.566 0.300 . 1 . . . . 97 GLN CA . 11389 1 1216 . 1 1 97 97 GLN CB C 13 29.015 0.300 . 1 . . . . 97 GLN CB . 11389 1 1217 . 1 1 97 97 GLN CG C 13 33.420 0.300 . 1 . . . . 97 GLN CG . 11389 1 1218 . 1 1 97 97 GLN N N 15 119.107 0.300 . 1 . . . . 97 GLN N . 11389 1 1219 . 1 1 97 97 GLN NE2 N 15 111.823 0.300 . 1 . . . . 97 GLN NE2 . 11389 1 1220 . 1 1 98 98 SER H H 1 7.789 0.030 . 1 . . . . 98 SER H . 11389 1 1221 . 1 1 98 98 SER HA H 1 4.281 0.030 . 1 . . . . 98 SER HA . 11389 1 1222 . 1 1 98 98 SER HB2 H 1 3.923 0.030 . 2 . . . . 98 SER HB2 . 11389 1 1223 . 1 1 98 98 SER HB3 H 1 3.881 0.030 . 2 . . . . 98 SER HB3 . 11389 1 1224 . 1 1 98 98 SER C C 13 175.025 0.300 . 1 . . . . 98 SER C . 11389 1 1225 . 1 1 98 98 SER CA C 13 59.200 0.300 . 1 . . . . 98 SER CA . 11389 1 1226 . 1 1 98 98 SER CB C 13 63.790 0.300 . 1 . . . . 98 SER CB . 11389 1 1227 . 1 1 98 98 SER N N 15 114.456 0.300 . 1 . . . . 98 SER N . 11389 1 1228 . 1 1 99 99 GLY H H 1 7.909 0.030 . 1 . . . . 99 GLY H . 11389 1 1229 . 1 1 99 99 GLY HA2 H 1 3.893 0.030 . 1 . . . . 99 GLY HA2 . 11389 1 1230 . 1 1 99 99 GLY HA3 H 1 3.893 0.030 . 1 . . . . 99 GLY HA3 . 11389 1 1231 . 1 1 99 99 GLY C C 13 172.952 0.300 . 1 . . . . 99 GLY C . 11389 1 1232 . 1 1 99 99 GLY CA C 13 45.461 0.300 . 1 . . . . 99 GLY CA . 11389 1 1233 . 1 1 99 99 GLY N N 15 110.672 0.300 . 1 . . . . 99 GLY N . 11389 1 1234 . 1 1 100 100 ALA H H 1 7.658 0.030 . 1 . . . . 100 ALA H . 11389 1 1235 . 1 1 100 100 ALA HA H 1 4.080 0.030 . 1 . . . . 100 ALA HA . 11389 1 1236 . 1 1 100 100 ALA HB1 H 1 1.258 0.030 . 1 . . . . 100 ALA HB . 11389 1 1237 . 1 1 100 100 ALA HB2 H 1 1.258 0.030 . 1 . . . . 100 ALA HB . 11389 1 1238 . 1 1 100 100 ALA HB3 H 1 1.258 0.030 . 1 . . . . 100 ALA HB . 11389 1 1239 . 1 1 100 100 ALA C C 13 182.449 0.300 . 1 . . . . 100 ALA C . 11389 1 1240 . 1 1 100 100 ALA CA C 13 53.703 0.300 . 1 . . . . 100 ALA CA . 11389 1 1241 . 1 1 100 100 ALA CB C 13 20.123 0.300 . 1 . . . . 100 ALA CB . 11389 1 1242 . 1 1 100 100 ALA N N 15 129.189 0.300 . 1 . . . . 100 ALA N . 11389 1 stop_ save_