data_11092 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11092 _Entry.Title ; Solution structure of the chromo domain of Mortality factor 4-like protein 1 from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-18 _Entry.Accession_date 2010-01-19 _Entry.Last_release_date 2011-01-19 _Entry.Original_release_date 2011-01-19 _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 H. Li . . . 11092 2 M. Sato . . . 11092 3 N. Tochio . . . 11092 4 T. Tomizawa . . . 11092 5 S. Koshiba . . . 11092 6 T. Harada . . . 11092 7 S. Watanabe . . . 11092 8 T. Kigawa . . . 11092 9 S. Yokoyama . . . 11092 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)' . 11092 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11092 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 11092 '15N chemical shifts' 98 11092 '1H chemical shifts' 692 11092 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 . . 2011-01-19 2010-01-18 original author . 11092 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EFI 'BMRB Entry Tracking System' 11092 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11092 _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 chromo domain of Mortality factor 4-like protein 1 from human ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 11092 1 2 M. Sato . . . 11092 1 3 N. Tochio . . . 11092 1 4 T. Tomizawa . . . 11092 1 5 S. Koshiba . . . 11092 1 6 T. Harada . . . 11092 1 7 S. Watanabe . . . 11092 1 8 T. Kigawa . . . 11092 1 9 S. Yokoyama . . . 11092 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11092 _Assembly.ID 1 _Assembly.Name 'Mortality factor 4-like protein 1' _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 'Chromo domain' 1 $entity_1 A . yes native no no . . . 11092 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 2efi . . . . . . 11092 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11092 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chromo 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 ; GSSGSSGMAPKQDPKPKFQE GERVLCFHGPLLYEAKCVKV AIKDKQVKYFIHYSGWNKNW DEWVPESRVLKYVDTNLQKQ RELQKANQEQYAEGKMRGAA ; _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 2EFI . "Solution Structure Of The Chromo Domain Of Mortality Factor 4-Like Protein 1 From Human" . . . . . 100.00 100 100.00 100.00 3.27e-67 . . . . 11092 1 2 no PDB 2F5K . "Crystal Structure Of The Chromo Domain Of Human Mrg15" . . . . . 90.00 102 100.00 100.00 6.75e-60 . . . . 11092 1 3 no DBJ BAB30219 . "unnamed protein product [Mus musculus]" . . . . . 93.00 323 100.00 100.00 1.79e-60 . . . . 11092 1 4 no DBJ BAB58904 . "MRG15 [Mus musculus]" . . . . . 93.00 323 100.00 100.00 1.79e-60 . . . . 11092 1 5 no DBJ BAE00783 . "unnamed protein product [Macaca fascicularis]" . . . . . 93.00 323 100.00 100.00 1.88e-60 . . . . 11092 1 6 no DBJ BAE26980 . "unnamed protein product [Mus musculus]" . . . . . 93.00 323 100.00 100.00 1.79e-60 . . . . 11092 1 7 no DBJ BAE27430 . "unnamed protein product [Mus musculus]" . . . . . 84.00 314 98.81 100.00 1.67e-52 . . . . 11092 1 8 no EMBL CAB70879 . "hypothetical protein [Homo sapiens]" . . . . . 93.00 324 100.00 100.00 2.00e-60 . . . . 11092 1 9 no EMBL CAI29614 . "hypothetical protein [Pongo abelii]" . . . . . 93.00 323 98.92 100.00 1.00e-59 . . . . 11092 1 10 no GB AAD20970 . "HSPC008 [Homo sapiens]" . . . . . 93.00 323 100.00 100.00 1.79e-60 . . . . 11092 1 11 no GB AAD29872 . "MRG15 protein [Homo sapiens]" . . . . . 93.00 323 100.00 100.00 1.79e-60 . . . . 11092 1 12 no GB AAF29033 . "HSPC061 [Homo sapiens]" . . . . . 93.00 323 100.00 100.00 1.79e-60 . . . . 11092 1 13 no GB AAF80854 . "MSL3-1 protein [Homo sapiens]" . . . . . 93.00 323 100.00 100.00 1.79e-60 . . . . 11092 1 14 no GB AAG17253 . "unknown [Homo sapiens]" . . . . . 93.00 311 100.00 100.00 1.28e-60 . . . . 11092 1 15 no REF NP_001011999 . "mortality factor 4-like protein 1 [Rattus norvegicus]" . . . . . 93.00 323 98.92 98.92 1.13e-59 . . . . 11092 1 16 no REF NP_001030525 . "mortality factor 4-like protein 1 [Bos taurus]" . . . . . 81.00 296 98.77 98.77 3.16e-50 . . . . 11092 1 17 no REF NP_001032250 . "mortality factor 4 like 1 isoform 1 [Gallus gallus]" . . . . . 93.00 344 98.92 100.00 1.35e-59 . . . . 11092 1 18 no REF NP_001032253 . "mortality factor 4 like 1 isoform 2 [Gallus gallus]" . . . . . 93.00 323 98.92 100.00 5.84e-60 . . . . 11092 1 19 no REF NP_001127679 . "mortality factor 4-like protein 1 [Pongo abelii]" . . . . . 93.00 323 98.92 100.00 1.00e-59 . . . . 11092 1 20 no SP Q5NVP9 . "RecName: Full=Mortality factor 4-like protein 1" . . . . . 93.00 323 98.92 100.00 1.00e-59 . . . . 11092 1 21 no SP Q6AYU1 . "RecName: Full=Mortality factor 4-like protein 1; AltName: Full=MORF-related gene 15 protein; AltName: Full=Transcription factor" . . . . . 93.00 323 98.92 98.92 1.13e-59 . . . . 11092 1 22 no TPG DAA17605 . "TPA: MORF-related gene 15 [Bos taurus]" . . . . . 81.00 296 100.00 100.00 1.30e-51 . . . . 11092 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 . 11092 1 2 . SER . 11092 1 3 . SER . 11092 1 4 . GLY . 11092 1 5 . SER . 11092 1 6 . SER . 11092 1 7 . GLY . 11092 1 8 . MET . 11092 1 9 . ALA . 11092 1 10 . PRO . 11092 1 11 . LYS . 11092 1 12 . GLN . 11092 1 13 . ASP . 11092 1 14 . PRO . 11092 1 15 . LYS . 11092 1 16 . PRO . 11092 1 17 . LYS . 11092 1 18 . PHE . 11092 1 19 . GLN . 11092 1 20 . GLU . 11092 1 21 . GLY . 11092 1 22 . GLU . 11092 1 23 . ARG . 11092 1 24 . VAL . 11092 1 25 . LEU . 11092 1 26 . CYS . 11092 1 27 . PHE . 11092 1 28 . HIS . 11092 1 29 . GLY . 11092 1 30 . PRO . 11092 1 31 . LEU . 11092 1 32 . LEU . 11092 1 33 . TYR . 11092 1 34 . GLU . 11092 1 35 . ALA . 11092 1 36 . LYS . 11092 1 37 . CYS . 11092 1 38 . VAL . 11092 1 39 . LYS . 11092 1 40 . VAL . 11092 1 41 . ALA . 11092 1 42 . ILE . 11092 1 43 . LYS . 11092 1 44 . ASP . 11092 1 45 . LYS . 11092 1 46 . GLN . 11092 1 47 . VAL . 11092 1 48 . LYS . 11092 1 49 . TYR . 11092 1 50 . PHE . 11092 1 51 . ILE . 11092 1 52 . HIS . 11092 1 53 . TYR . 11092 1 54 . SER . 11092 1 55 . GLY . 11092 1 56 . TRP . 11092 1 57 . ASN . 11092 1 58 . LYS . 11092 1 59 . ASN . 11092 1 60 . TRP . 11092 1 61 . ASP . 11092 1 62 . GLU . 11092 1 63 . TRP . 11092 1 64 . VAL . 11092 1 65 . PRO . 11092 1 66 . GLU . 11092 1 67 . SER . 11092 1 68 . ARG . 11092 1 69 . VAL . 11092 1 70 . LEU . 11092 1 71 . LYS . 11092 1 72 . TYR . 11092 1 73 . VAL . 11092 1 74 . ASP . 11092 1 75 . THR . 11092 1 76 . ASN . 11092 1 77 . LEU . 11092 1 78 . GLN . 11092 1 79 . LYS . 11092 1 80 . GLN . 11092 1 81 . ARG . 11092 1 82 . GLU . 11092 1 83 . LEU . 11092 1 84 . GLN . 11092 1 85 . LYS . 11092 1 86 . ALA . 11092 1 87 . ASN . 11092 1 88 . GLN . 11092 1 89 . GLU . 11092 1 90 . GLN . 11092 1 91 . TYR . 11092 1 92 . ALA . 11092 1 93 . GLU . 11092 1 94 . GLY . 11092 1 95 . LYS . 11092 1 96 . MET . 11092 1 97 . ARG . 11092 1 98 . GLY . 11092 1 99 . ALA . 11092 1 100 . ALA . 11092 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 11092 1 . SER 2 2 11092 1 . SER 3 3 11092 1 . GLY 4 4 11092 1 . SER 5 5 11092 1 . SER 6 6 11092 1 . GLY 7 7 11092 1 . MET 8 8 11092 1 . ALA 9 9 11092 1 . PRO 10 10 11092 1 . LYS 11 11 11092 1 . GLN 12 12 11092 1 . ASP 13 13 11092 1 . PRO 14 14 11092 1 . LYS 15 15 11092 1 . PRO 16 16 11092 1 . LYS 17 17 11092 1 . PHE 18 18 11092 1 . GLN 19 19 11092 1 . GLU 20 20 11092 1 . GLY 21 21 11092 1 . GLU 22 22 11092 1 . ARG 23 23 11092 1 . VAL 24 24 11092 1 . LEU 25 25 11092 1 . CYS 26 26 11092 1 . PHE 27 27 11092 1 . HIS 28 28 11092 1 . GLY 29 29 11092 1 . PRO 30 30 11092 1 . LEU 31 31 11092 1 . LEU 32 32 11092 1 . TYR 33 33 11092 1 . GLU 34 34 11092 1 . ALA 35 35 11092 1 . LYS 36 36 11092 1 . CYS 37 37 11092 1 . VAL 38 38 11092 1 . LYS 39 39 11092 1 . VAL 40 40 11092 1 . ALA 41 41 11092 1 . ILE 42 42 11092 1 . LYS 43 43 11092 1 . ASP 44 44 11092 1 . LYS 45 45 11092 1 . GLN 46 46 11092 1 . VAL 47 47 11092 1 . LYS 48 48 11092 1 . TYR 49 49 11092 1 . PHE 50 50 11092 1 . ILE 51 51 11092 1 . HIS 52 52 11092 1 . TYR 53 53 11092 1 . SER 54 54 11092 1 . GLY 55 55 11092 1 . TRP 56 56 11092 1 . ASN 57 57 11092 1 . LYS 58 58 11092 1 . ASN 59 59 11092 1 . TRP 60 60 11092 1 . ASP 61 61 11092 1 . GLU 62 62 11092 1 . TRP 63 63 11092 1 . VAL 64 64 11092 1 . PRO 65 65 11092 1 . GLU 66 66 11092 1 . SER 67 67 11092 1 . ARG 68 68 11092 1 . VAL 69 69 11092 1 . LEU 70 70 11092 1 . LYS 71 71 11092 1 . TYR 72 72 11092 1 . VAL 73 73 11092 1 . ASP 74 74 11092 1 . THR 75 75 11092 1 . ASN 76 76 11092 1 . LEU 77 77 11092 1 . GLN 78 78 11092 1 . LYS 79 79 11092 1 . GLN 80 80 11092 1 . ARG 81 81 11092 1 . GLU 82 82 11092 1 . LEU 83 83 11092 1 . GLN 84 84 11092 1 . LYS 85 85 11092 1 . ALA 86 86 11092 1 . ASN 87 87 11092 1 . GLN 88 88 11092 1 . GLU 89 89 11092 1 . GLN 90 90 11092 1 . TYR 91 91 11092 1 . ALA 92 92 11092 1 . GLU 93 93 11092 1 . GLY 94 94 11092 1 . LYS 95 95 11092 1 . MET 96 96 11092 1 . ARG 97 97 11092 1 . GLY 98 98 11092 1 . ALA 99 99 11092 1 . ALA 100 100 11092 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 11092 _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 . . . . . . . . . . . . . . . . . . . . . 11092 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 11092 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'Cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P060522-07 . . . . . . 11092 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11092 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM Chromo domain [U-15N, 13C], 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 'Chromo domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11092 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11092 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11092 1 4 DTT [U-2H] . . . . . salt 1 . . mM . . . . 11092 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11092 1 6 H2O . . . . . . solvent 90 . . % . . . . 11092 1 7 D2O . . . . . . solvent 10 . . % . . . . 11092 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 11092 _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 11092 1 pH 7.0 0.05 pH 11092 1 pressure 1 0.001 atm 11092 1 temperature 296 0.1 K 11092 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11092 _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 . . 11092 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11092 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11092 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11092 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11092 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11092 _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.' . . 11092 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11092 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11092 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9827 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11092 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11092 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11092 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11092 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11092 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 11092 _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 11092 _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 . . . 11092 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 11092 _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 . . . . . . . . . . . . . . . . 11092 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11092 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 11092 _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 . . . . . . . . . 11092 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11092 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11092 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 11092 _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 11092 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11092 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 . . 11092 1 2 $NMRPipe . . 11092 1 3 $NMRview . . 11092 1 4 $Kujira . . 11092 1 5 $CYANA . . 11092 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 7 7 GLY HA2 H 1 3.959 0.030 . 1 . . . . 7 GLY HA2 . 11092 1 2 . 1 1 7 7 GLY HA3 H 1 3.959 0.030 . 1 . . . . 7 GLY HA3 . 11092 1 3 . 1 1 7 7 GLY C C 13 174.017 0.300 . 1 . . . . 7 GLY C . 11092 1 4 . 1 1 7 7 GLY CA C 13 45.421 0.300 . 1 . . . . 7 GLY CA . 11092 1 5 . 1 1 8 8 MET H H 1 8.120 0.030 . 1 . . . . 8 MET H . 11092 1 6 . 1 1 8 8 MET HA H 1 4.473 0.030 . 1 . . . . 8 MET HA . 11092 1 7 . 1 1 8 8 MET HB2 H 1 2.058 0.030 . 2 . . . . 8 MET HB2 . 11092 1 8 . 1 1 8 8 MET HB3 H 1 1.955 0.030 . 2 . . . . 8 MET HB3 . 11092 1 9 . 1 1 8 8 MET HE1 H 1 2.090 0.030 . 1 . . . . 8 MET HE . 11092 1 10 . 1 1 8 8 MET HE2 H 1 2.090 0.030 . 1 . . . . 8 MET HE . 11092 1 11 . 1 1 8 8 MET HE3 H 1 2.090 0.030 . 1 . . . . 8 MET HE . 11092 1 12 . 1 1 8 8 MET HG2 H 1 2.515 0.030 . 2 . . . . 8 MET HG2 . 11092 1 13 . 1 1 8 8 MET HG3 H 1 2.571 0.030 . 2 . . . . 8 MET HG3 . 11092 1 14 . 1 1 8 8 MET C C 13 175.715 0.300 . 1 . . . . 8 MET C . 11092 1 15 . 1 1 8 8 MET CA C 13 55.097 0.300 . 1 . . . . 8 MET CA . 11092 1 16 . 1 1 8 8 MET CB C 13 33.003 0.300 . 1 . . . . 8 MET CB . 11092 1 17 . 1 1 8 8 MET CE C 13 16.950 0.300 . 1 . . . . 8 MET CE . 11092 1 18 . 1 1 8 8 MET CG C 13 32.017 0.300 . 1 . . . . 8 MET CG . 11092 1 19 . 1 1 8 8 MET N N 15 119.727 0.300 . 1 . . . . 8 MET N . 11092 1 20 . 1 1 9 9 ALA H H 1 8.336 0.030 . 1 . . . . 9 ALA H . 11092 1 21 . 1 1 9 9 ALA HA H 1 4.577 0.030 . 1 . . . . 9 ALA HA . 11092 1 22 . 1 1 9 9 ALA HB1 H 1 1.353 0.030 . 1 . . . . 9 ALA HB . 11092 1 23 . 1 1 9 9 ALA HB2 H 1 1.353 0.030 . 1 . . . . 9 ALA HB . 11092 1 24 . 1 1 9 9 ALA HB3 H 1 1.353 0.030 . 1 . . . . 9 ALA HB . 11092 1 25 . 1 1 9 9 ALA C C 13 175.462 0.300 . 1 . . . . 9 ALA C . 11092 1 26 . 1 1 9 9 ALA CA C 13 50.663 0.300 . 1 . . . . 9 ALA CA . 11092 1 27 . 1 1 9 9 ALA CB C 13 18.029 0.300 . 1 . . . . 9 ALA CB . 11092 1 28 . 1 1 9 9 ALA N N 15 127.090 0.300 . 1 . . . . 9 ALA N . 11092 1 29 . 1 1 10 10 PRO HA H 1 4.410 0.030 . 1 . . . . 10 PRO HA . 11092 1 30 . 1 1 10 10 PRO HB2 H 1 1.875 0.030 . 2 . . . . 10 PRO HB2 . 11092 1 31 . 1 1 10 10 PRO HB3 H 1 2.298 0.030 . 2 . . . . 10 PRO HB3 . 11092 1 32 . 1 1 10 10 PRO HD2 H 1 3.634 0.030 . 2 . . . . 10 PRO HD2 . 11092 1 33 . 1 1 10 10 PRO HD3 H 1 3.796 0.030 . 2 . . . . 10 PRO HD3 . 11092 1 34 . 1 1 10 10 PRO HG2 H 1 2.014 0.030 . 1 . . . . 10 PRO HG2 . 11092 1 35 . 1 1 10 10 PRO HG3 H 1 2.014 0.030 . 1 . . . . 10 PRO HG3 . 11092 1 36 . 1 1 10 10 PRO CA C 13 62.931 0.300 . 1 . . . . 10 PRO CA . 11092 1 37 . 1 1 10 10 PRO CB C 13 32.148 0.300 . 1 . . . . 10 PRO CB . 11092 1 38 . 1 1 10 10 PRO CD C 13 50.493 0.300 . 1 . . . . 10 PRO CD . 11092 1 39 . 1 1 10 10 PRO CG C 13 27.460 0.300 . 1 . . . . 10 PRO CG . 11092 1 40 . 1 1 11 11 LYS H H 1 8.436 0.030 . 1 . . . . 11 LYS H . 11092 1 41 . 1 1 11 11 LYS HA H 1 4.265 0.030 . 1 . . . . 11 LYS HA . 11092 1 42 . 1 1 11 11 LYS HB2 H 1 1.814 0.030 . 2 . . . . 11 LYS HB2 . 11092 1 43 . 1 1 11 11 LYS HB3 H 1 1.739 0.030 . 2 . . . . 11 LYS HB3 . 11092 1 44 . 1 1 11 11 LYS HD2 H 1 1.686 0.030 . 1 . . . . 11 LYS HD2 . 11092 1 45 . 1 1 11 11 LYS HD3 H 1 1.686 0.030 . 1 . . . . 11 LYS HD3 . 11092 1 46 . 1 1 11 11 LYS HE2 H 1 2.969 0.030 . 1 . . . . 11 LYS HE2 . 11092 1 47 . 1 1 11 11 LYS HE3 H 1 2.969 0.030 . 1 . . . . 11 LYS HE3 . 11092 1 48 . 1 1 11 11 LYS HG2 H 1 1.476 0.030 . 2 . . . . 11 LYS HG2 . 11092 1 49 . 1 1 11 11 LYS HG3 H 1 1.444 0.030 . 2 . . . . 11 LYS HG3 . 11092 1 50 . 1 1 11 11 LYS C C 13 176.528 0.300 . 1 . . . . 11 LYS C . 11092 1 51 . 1 1 11 11 LYS CA C 13 56.303 0.300 . 1 . . . . 11 LYS CA . 11092 1 52 . 1 1 11 11 LYS CB C 13 33.038 0.300 . 1 . . . . 11 LYS CB . 11092 1 53 . 1 1 11 11 LYS CD C 13 29.108 0.300 . 1 . . . . 11 LYS CD . 11092 1 54 . 1 1 11 11 LYS CE C 13 42.138 0.300 . 1 . . . . 11 LYS CE . 11092 1 55 . 1 1 11 11 LYS CG C 13 24.799 0.300 . 1 . . . . 11 LYS CG . 11092 1 56 . 1 1 11 11 LYS N N 15 121.786 0.300 . 1 . . . . 11 LYS N . 11092 1 57 . 1 1 12 12 GLN H H 1 8.394 0.030 . 1 . . . . 12 GLN H . 11092 1 58 . 1 1 12 12 GLN HA H 1 4.358 0.030 . 1 . . . . 12 GLN HA . 11092 1 59 . 1 1 12 12 GLN HB2 H 1 1.918 0.030 . 2 . . . . 12 GLN HB2 . 11092 1 60 . 1 1 12 12 GLN HB3 H 1 2.075 0.030 . 2 . . . . 12 GLN HB3 . 11092 1 61 . 1 1 12 12 GLN HE21 H 1 6.883 0.030 . 2 . . . . 12 GLN HE21 . 11092 1 62 . 1 1 12 12 GLN HE22 H 1 7.567 0.030 . 2 . . . . 12 GLN HE22 . 11092 1 63 . 1 1 12 12 GLN HG2 H 1 2.339 0.030 . 1 . . . . 12 GLN HG2 . 11092 1 64 . 1 1 12 12 GLN HG3 H 1 2.339 0.030 . 1 . . . . 12 GLN HG3 . 11092 1 65 . 1 1 12 12 GLN C C 13 175.416 0.300 . 1 . . . . 12 GLN C . 11092 1 66 . 1 1 12 12 GLN CA C 13 55.156 0.300 . 1 . . . . 12 GLN CA . 11092 1 67 . 1 1 12 12 GLN CB C 13 30.043 0.300 . 1 . . . . 12 GLN CB . 11092 1 68 . 1 1 12 12 GLN CG C 13 33.743 0.300 . 1 . . . . 12 GLN CG . 11092 1 69 . 1 1 12 12 GLN N N 15 121.448 0.300 . 1 . . . . 12 GLN N . 11092 1 70 . 1 1 12 12 GLN NE2 N 15 112.660 0.300 . 1 . . . . 12 GLN NE2 . 11092 1 71 . 1 1 13 13 ASP H H 1 8.446 0.030 . 1 . . . . 13 ASP H . 11092 1 72 . 1 1 13 13 ASP HA H 1 4.787 0.030 . 1 . . . . 13 ASP HA . 11092 1 73 . 1 1 13 13 ASP HB2 H 1 2.435 0.030 . 2 . . . . 13 ASP HB2 . 11092 1 74 . 1 1 13 13 ASP HB3 H 1 2.585 0.030 . 2 . . . . 13 ASP HB3 . 11092 1 75 . 1 1 13 13 ASP C C 13 174.129 0.300 . 1 . . . . 13 ASP C . 11092 1 76 . 1 1 13 13 ASP CA C 13 52.985 0.300 . 1 . . . . 13 ASP CA . 11092 1 77 . 1 1 13 13 ASP CB C 13 40.322 0.300 . 1 . . . . 13 ASP CB . 11092 1 78 . 1 1 13 13 ASP N N 15 123.418 0.300 . 1 . . . . 13 ASP N . 11092 1 79 . 1 1 14 14 PRO HA H 1 4.411 0.030 . 1 . . . . 14 PRO HA . 11092 1 80 . 1 1 14 14 PRO HB2 H 1 2.223 0.030 . 2 . . . . 14 PRO HB2 . 11092 1 81 . 1 1 14 14 PRO HB3 H 1 1.763 0.030 . 2 . . . . 14 PRO HB3 . 11092 1 82 . 1 1 14 14 PRO HD2 H 1 3.531 0.030 . 2 . . . . 14 PRO HD2 . 11092 1 83 . 1 1 14 14 PRO HD3 H 1 3.695 0.030 . 2 . . . . 14 PRO HD3 . 11092 1 84 . 1 1 14 14 PRO HG2 H 1 1.875 0.030 . 1 . . . . 14 PRO HG2 . 11092 1 85 . 1 1 14 14 PRO HG3 H 1 1.875 0.030 . 1 . . . . 14 PRO HG3 . 11092 1 86 . 1 1 14 14 PRO C C 13 175.462 0.300 . 1 . . . . 14 PRO C . 11092 1 87 . 1 1 14 14 PRO CA C 13 62.458 0.300 . 1 . . . . 14 PRO CA . 11092 1 88 . 1 1 14 14 PRO CB C 13 32.368 0.300 . 1 . . . . 14 PRO CB . 11092 1 89 . 1 1 14 14 PRO CD C 13 50.280 0.300 . 1 . . . . 14 PRO CD . 11092 1 90 . 1 1 14 14 PRO CG C 13 27.291 0.300 . 1 . . . . 14 PRO CG . 11092 1 91 . 1 1 15 15 LYS H H 1 8.394 0.030 . 1 . . . . 15 LYS H . 11092 1 92 . 1 1 15 15 LYS HA H 1 4.687 0.030 . 1 . . . . 15 LYS HA . 11092 1 93 . 1 1 15 15 LYS HB2 H 1 1.756 0.030 . 2 . . . . 15 LYS HB2 . 11092 1 94 . 1 1 15 15 LYS HB3 H 1 1.689 0.030 . 2 . . . . 15 LYS HB3 . 11092 1 95 . 1 1 15 15 LYS HD2 H 1 1.660 0.030 . 1 . . . . 15 LYS HD2 . 11092 1 96 . 1 1 15 15 LYS HD3 H 1 1.660 0.030 . 1 . . . . 15 LYS HD3 . 11092 1 97 . 1 1 15 15 LYS HE2 H 1 2.985 0.030 . 1 . . . . 15 LYS HE2 . 11092 1 98 . 1 1 15 15 LYS HE3 H 1 2.985 0.030 . 1 . . . . 15 LYS HE3 . 11092 1 99 . 1 1 15 15 LYS HG2 H 1 1.449 0.030 . 2 . . . . 15 LYS HG2 . 11092 1 100 . 1 1 15 15 LYS HG3 H 1 1.365 0.030 . 2 . . . . 15 LYS HG3 . 11092 1 101 . 1 1 15 15 LYS CA C 13 52.975 0.300 . 1 . . . . 15 LYS CA . 11092 1 102 . 1 1 15 15 LYS CB C 13 32.764 0.300 . 1 . . . . 15 LYS CB . 11092 1 103 . 1 1 15 15 LYS CD C 13 28.958 0.300 . 1 . . . . 15 LYS CD . 11092 1 104 . 1 1 15 15 LYS CE C 13 42.315 0.300 . 1 . . . . 15 LYS CE . 11092 1 105 . 1 1 15 15 LYS CG C 13 24.609 0.300 . 1 . . . . 15 LYS CG . 11092 1 106 . 1 1 15 15 LYS N N 15 121.450 0.300 . 1 . . . . 15 LYS N . 11092 1 107 . 1 1 16 16 PRO HA H 1 4.492 0.030 . 1 . . . . 16 PRO HA . 11092 1 108 . 1 1 16 16 PRO HB2 H 1 2.347 0.030 . 2 . . . . 16 PRO HB2 . 11092 1 109 . 1 1 16 16 PRO HB3 H 1 2.705 0.030 . 2 . . . . 16 PRO HB3 . 11092 1 110 . 1 1 16 16 PRO HD2 H 1 3.711 0.030 . 2 . . . . 16 PRO HD2 . 11092 1 111 . 1 1 16 16 PRO HD3 H 1 3.955 0.030 . 2 . . . . 16 PRO HD3 . 11092 1 112 . 1 1 16 16 PRO HG2 H 1 1.795 0.030 . 2 . . . . 16 PRO HG2 . 11092 1 113 . 1 1 16 16 PRO HG3 H 1 2.252 0.030 . 2 . . . . 16 PRO HG3 . 11092 1 114 . 1 1 16 16 PRO C C 13 177.389 0.300 . 1 . . . . 16 PRO C . 11092 1 115 . 1 1 16 16 PRO CA C 13 63.647 0.300 . 1 . . . . 16 PRO CA . 11092 1 116 . 1 1 16 16 PRO CB C 13 32.806 0.300 . 1 . . . . 16 PRO CB . 11092 1 117 . 1 1 16 16 PRO CD C 13 51.223 0.300 . 1 . . . . 16 PRO CD . 11092 1 118 . 1 1 16 16 PRO CG C 13 27.987 0.300 . 1 . . . . 16 PRO CG . 11092 1 119 . 1 1 17 17 LYS H H 1 8.817 0.030 . 1 . . . . 17 LYS H . 11092 1 120 . 1 1 17 17 LYS HA H 1 3.907 0.030 . 1 . . . . 17 LYS HA . 11092 1 121 . 1 1 17 17 LYS HB2 H 1 1.136 0.030 . 2 . . . . 17 LYS HB2 . 11092 1 122 . 1 1 17 17 LYS HB3 H 1 1.388 0.030 . 2 . . . . 17 LYS HB3 . 11092 1 123 . 1 1 17 17 LYS HD2 H 1 1.578 0.030 . 2 . . . . 17 LYS HD2 . 11092 1 124 . 1 1 17 17 LYS HD3 H 1 1.529 0.030 . 2 . . . . 17 LYS HD3 . 11092 1 125 . 1 1 17 17 LYS HE2 H 1 2.946 0.030 . 1 . . . . 17 LYS HE2 . 11092 1 126 . 1 1 17 17 LYS HE3 H 1 2.946 0.030 . 1 . . . . 17 LYS HE3 . 11092 1 127 . 1 1 17 17 LYS HG2 H 1 1.013 0.030 . 2 . . . . 17 LYS HG2 . 11092 1 128 . 1 1 17 17 LYS HG3 H 1 1.419 0.030 . 2 . . . . 17 LYS HG3 . 11092 1 129 . 1 1 17 17 LYS C C 13 175.464 0.300 . 1 . . . . 17 LYS C . 11092 1 130 . 1 1 17 17 LYS CA C 13 57.806 0.300 . 1 . . . . 17 LYS CA . 11092 1 131 . 1 1 17 17 LYS CB C 13 33.925 0.300 . 1 . . . . 17 LYS CB . 11092 1 132 . 1 1 17 17 LYS CD C 13 29.385 0.300 . 1 . . . . 17 LYS CD . 11092 1 133 . 1 1 17 17 LYS CE C 13 42.138 0.300 . 1 . . . . 17 LYS CE . 11092 1 134 . 1 1 17 17 LYS CG C 13 25.782 0.300 . 1 . . . . 17 LYS CG . 11092 1 135 . 1 1 17 17 LYS N N 15 123.173 0.300 . 1 . . . . 17 LYS N . 11092 1 136 . 1 1 18 18 PHE H H 1 7.906 0.030 . 1 . . . . 18 PHE H . 11092 1 137 . 1 1 18 18 PHE HA H 1 4.849 0.030 . 1 . . . . 18 PHE HA . 11092 1 138 . 1 1 18 18 PHE HB2 H 1 2.343 0.030 . 2 . . . . 18 PHE HB2 . 11092 1 139 . 1 1 18 18 PHE HB3 H 1 2.616 0.030 . 2 . . . . 18 PHE HB3 . 11092 1 140 . 1 1 18 18 PHE HD1 H 1 6.927 0.030 . 1 . . . . 18 PHE HD1 . 11092 1 141 . 1 1 18 18 PHE HD2 H 1 6.927 0.030 . 1 . . . . 18 PHE HD2 . 11092 1 142 . 1 1 18 18 PHE HE1 H 1 7.013 0.030 . 1 . . . . 18 PHE HE1 . 11092 1 143 . 1 1 18 18 PHE HE2 H 1 7.013 0.030 . 1 . . . . 18 PHE HE2 . 11092 1 144 . 1 1 18 18 PHE HZ H 1 7.044 0.030 . 1 . . . . 18 PHE HZ . 11092 1 145 . 1 1 18 18 PHE C C 13 173.850 0.300 . 1 . . . . 18 PHE C . 11092 1 146 . 1 1 18 18 PHE CA C 13 55.800 0.300 . 1 . . . . 18 PHE CA . 11092 1 147 . 1 1 18 18 PHE CB C 13 40.905 0.300 . 1 . . . . 18 PHE CB . 11092 1 148 . 1 1 18 18 PHE CD1 C 13 132.418 0.300 . 1 . . . . 18 PHE CD1 . 11092 1 149 . 1 1 18 18 PHE CD2 C 13 132.418 0.300 . 1 . . . . 18 PHE CD2 . 11092 1 150 . 1 1 18 18 PHE CE1 C 13 130.716 0.300 . 1 . . . . 18 PHE CE1 . 11092 1 151 . 1 1 18 18 PHE CE2 C 13 130.716 0.300 . 1 . . . . 18 PHE CE2 . 11092 1 152 . 1 1 18 18 PHE CZ C 13 129.525 0.300 . 1 . . . . 18 PHE CZ . 11092 1 153 . 1 1 18 18 PHE N N 15 117.013 0.300 . 1 . . . . 18 PHE N . 11092 1 154 . 1 1 19 19 GLN H H 1 8.585 0.030 . 1 . . . . 19 GLN H . 11092 1 155 . 1 1 19 19 GLN HA H 1 4.752 0.030 . 1 . . . . 19 GLN HA . 11092 1 156 . 1 1 19 19 GLN HB2 H 1 1.960 0.030 . 2 . . . . 19 GLN HB2 . 11092 1 157 . 1 1 19 19 GLN HB3 H 1 2.126 0.030 . 2 . . . . 19 GLN HB3 . 11092 1 158 . 1 1 19 19 GLN HE21 H 1 7.584 0.030 . 2 . . . . 19 GLN HE21 . 11092 1 159 . 1 1 19 19 GLN HE22 H 1 6.816 0.030 . 2 . . . . 19 GLN HE22 . 11092 1 160 . 1 1 19 19 GLN HG2 H 1 2.339 0.030 . 2 . . . . 19 GLN HG2 . 11092 1 161 . 1 1 19 19 GLN HG3 H 1 2.427 0.030 . 2 . . . . 19 GLN HG3 . 11092 1 162 . 1 1 19 19 GLN C C 13 175.580 0.300 . 1 . . . . 19 GLN C . 11092 1 163 . 1 1 19 19 GLN CA C 13 53.267 0.300 . 1 . . . . 19 GLN CA . 11092 1 164 . 1 1 19 19 GLN CB C 13 32.858 0.300 . 1 . . . . 19 GLN CB . 11092 1 165 . 1 1 19 19 GLN CG C 13 33.990 0.300 . 1 . . . . 19 GLN CG . 11092 1 166 . 1 1 19 19 GLN N N 15 116.856 0.300 . 1 . . . . 19 GLN N . 11092 1 167 . 1 1 19 19 GLN NE2 N 15 112.665 0.300 . 1 . . . . 19 GLN NE2 . 11092 1 168 . 1 1 20 20 GLU H H 1 8.839 0.030 . 1 . . . . 20 GLU H . 11092 1 169 . 1 1 20 20 GLU HA H 1 3.707 0.030 . 1 . . . . 20 GLU HA . 11092 1 170 . 1 1 20 20 GLU HB2 H 1 2.022 0.030 . 2 . . . . 20 GLU HB2 . 11092 1 171 . 1 1 20 20 GLU HB3 H 1 1.933 0.030 . 2 . . . . 20 GLU HB3 . 11092 1 172 . 1 1 20 20 GLU HG2 H 1 2.158 0.030 . 2 . . . . 20 GLU HG2 . 11092 1 173 . 1 1 20 20 GLU HG3 H 1 2.441 0.030 . 2 . . . . 20 GLU HG3 . 11092 1 174 . 1 1 20 20 GLU C C 13 177.705 0.300 . 1 . . . . 20 GLU C . 11092 1 175 . 1 1 20 20 GLU CA C 13 59.071 0.300 . 1 . . . . 20 GLU CA . 11092 1 176 . 1 1 20 20 GLU CB C 13 29.138 0.300 . 1 . . . . 20 GLU CB . 11092 1 177 . 1 1 20 20 GLU CG C 13 37.271 0.300 . 1 . . . . 20 GLU CG . 11092 1 178 . 1 1 20 20 GLU N N 15 120.665 0.300 . 1 . . . . 20 GLU N . 11092 1 179 . 1 1 21 21 GLY H H 1 9.374 0.030 . 1 . . . . 21 GLY H . 11092 1 180 . 1 1 21 21 GLY HA2 H 1 3.535 0.030 . 2 . . . . 21 GLY HA2 . 11092 1 181 . 1 1 21 21 GLY HA3 H 1 4.344 0.030 . 2 . . . . 21 GLY HA3 . 11092 1 182 . 1 1 21 21 GLY C C 13 173.565 0.300 . 1 . . . . 21 GLY C . 11092 1 183 . 1 1 21 21 GLY CA C 13 45.034 0.300 . 1 . . . . 21 GLY CA . 11092 1 184 . 1 1 21 21 GLY N N 15 114.917 0.300 . 1 . . . . 21 GLY N . 11092 1 185 . 1 1 22 22 GLU H H 1 8.057 0.030 . 1 . . . . 22 GLU H . 11092 1 186 . 1 1 22 22 GLU HA H 1 4.053 0.030 . 1 . . . . 22 GLU HA . 11092 1 187 . 1 1 22 22 GLU HB2 H 1 2.064 0.030 . 2 . . . . 22 GLU HB2 . 11092 1 188 . 1 1 22 22 GLU HB3 H 1 2.225 0.030 . 2 . . . . 22 GLU HB3 . 11092 1 189 . 1 1 22 22 GLU HG2 H 1 2.385 0.030 . 2 . . . . 22 GLU HG2 . 11092 1 190 . 1 1 22 22 GLU HG3 H 1 2.353 0.030 . 2 . . . . 22 GLU HG3 . 11092 1 191 . 1 1 22 22 GLU C C 13 175.647 0.300 . 1 . . . . 22 GLU C . 11092 1 192 . 1 1 22 22 GLU CA C 13 57.595 0.300 . 1 . . . . 22 GLU CA . 11092 1 193 . 1 1 22 22 GLU CB C 13 32.099 0.300 . 1 . . . . 22 GLU CB . 11092 1 194 . 1 1 22 22 GLU CG C 13 35.538 0.300 . 1 . . . . 22 GLU CG . 11092 1 195 . 1 1 22 22 GLU N N 15 123.458 0.300 . 1 . . . . 22 GLU N . 11092 1 196 . 1 1 23 23 ARG H H 1 8.505 0.030 . 1 . . . . 23 ARG H . 11092 1 197 . 1 1 23 23 ARG HA H 1 4.666 0.030 . 1 . . . . 23 ARG HA . 11092 1 198 . 1 1 23 23 ARG HB2 H 1 1.649 0.030 . 1 . . . . 23 ARG HB2 . 11092 1 199 . 1 1 23 23 ARG HB3 H 1 1.649 0.030 . 1 . . . . 23 ARG HB3 . 11092 1 200 . 1 1 23 23 ARG HD2 H 1 2.467 0.030 . 1 . . . . 23 ARG HD2 . 11092 1 201 . 1 1 23 23 ARG HD3 H 1 2.467 0.030 . 1 . . . . 23 ARG HD3 . 11092 1 202 . 1 1 23 23 ARG HG2 H 1 1.503 0.030 . 2 . . . . 23 ARG HG2 . 11092 1 203 . 1 1 23 23 ARG HG3 H 1 0.966 0.030 . 2 . . . . 23 ARG HG3 . 11092 1 204 . 1 1 23 23 ARG C C 13 174.904 0.300 . 1 . . . . 23 ARG C . 11092 1 205 . 1 1 23 23 ARG CA C 13 56.117 0.300 . 1 . . . . 23 ARG CA . 11092 1 206 . 1 1 23 23 ARG CB C 13 30.362 0.300 . 1 . . . . 23 ARG CB . 11092 1 207 . 1 1 23 23 ARG CD C 13 43.529 0.300 . 1 . . . . 23 ARG CD . 11092 1 208 . 1 1 23 23 ARG CG C 13 26.150 0.300 . 1 . . . . 23 ARG CG . 11092 1 209 . 1 1 23 23 ARG N N 15 127.958 0.300 . 1 . . . . 23 ARG N . 11092 1 210 . 1 1 24 24 VAL H H 1 8.741 0.030 . 1 . . . . 24 VAL H . 11092 1 211 . 1 1 24 24 VAL HA H 1 4.849 0.030 . 1 . . . . 24 VAL HA . 11092 1 212 . 1 1 24 24 VAL HB H 1 2.053 0.030 . 1 . . . . 24 VAL HB . 11092 1 213 . 1 1 24 24 VAL HG11 H 1 0.429 0.030 . 1 . . . . 24 VAL HG1 . 11092 1 214 . 1 1 24 24 VAL HG12 H 1 0.429 0.030 . 1 . . . . 24 VAL HG1 . 11092 1 215 . 1 1 24 24 VAL HG13 H 1 0.429 0.030 . 1 . . . . 24 VAL HG1 . 11092 1 216 . 1 1 24 24 VAL HG21 H 1 0.107 0.030 . 1 . . . . 24 VAL HG2 . 11092 1 217 . 1 1 24 24 VAL HG22 H 1 0.107 0.030 . 1 . . . . 24 VAL HG2 . 11092 1 218 . 1 1 24 24 VAL HG23 H 1 0.107 0.030 . 1 . . . . 24 VAL HG2 . 11092 1 219 . 1 1 24 24 VAL C C 13 174.354 0.300 . 1 . . . . 24 VAL C . 11092 1 220 . 1 1 24 24 VAL CA C 13 59.741 0.300 . 1 . . . . 24 VAL CA . 11092 1 221 . 1 1 24 24 VAL CB C 13 35.784 0.300 . 1 . . . . 24 VAL CB . 11092 1 222 . 1 1 24 24 VAL CG1 C 13 23.025 0.300 . 2 . . . . 24 VAL CG1 . 11092 1 223 . 1 1 24 24 VAL CG2 C 13 17.627 0.300 . 2 . . . . 24 VAL CG2 . 11092 1 224 . 1 1 24 24 VAL N N 15 120.486 0.300 . 1 . . . . 24 VAL N . 11092 1 225 . 1 1 25 25 LEU H H 1 8.357 0.030 . 1 . . . . 25 LEU H . 11092 1 226 . 1 1 25 25 LEU HA H 1 5.023 0.030 . 1 . . . . 25 LEU HA . 11092 1 227 . 1 1 25 25 LEU HB2 H 1 1.336 0.030 . 2 . . . . 25 LEU HB2 . 11092 1 228 . 1 1 25 25 LEU HB3 H 1 0.893 0.030 . 2 . . . . 25 LEU HB3 . 11092 1 229 . 1 1 25 25 LEU HD11 H 1 0.489 0.030 . 1 . . . . 25 LEU HD1 . 11092 1 230 . 1 1 25 25 LEU HD12 H 1 0.489 0.030 . 1 . . . . 25 LEU HD1 . 11092 1 231 . 1 1 25 25 LEU HD13 H 1 0.489 0.030 . 1 . . . . 25 LEU HD1 . 11092 1 232 . 1 1 25 25 LEU HD21 H 1 0.617 0.030 . 1 . . . . 25 LEU HD2 . 11092 1 233 . 1 1 25 25 LEU HD22 H 1 0.617 0.030 . 1 . . . . 25 LEU HD2 . 11092 1 234 . 1 1 25 25 LEU HD23 H 1 0.617 0.030 . 1 . . . . 25 LEU HD2 . 11092 1 235 . 1 1 25 25 LEU HG H 1 1.432 0.030 . 1 . . . . 25 LEU HG . 11092 1 236 . 1 1 25 25 LEU C C 13 174.643 0.300 . 1 . . . . 25 LEU C . 11092 1 237 . 1 1 25 25 LEU CA C 13 53.267 0.300 . 1 . . . . 25 LEU CA . 11092 1 238 . 1 1 25 25 LEU CB C 13 45.344 0.300 . 1 . . . . 25 LEU CB . 11092 1 239 . 1 1 25 25 LEU CD1 C 13 26.740 0.300 . 2 . . . . 25 LEU CD1 . 11092 1 240 . 1 1 25 25 LEU CD2 C 13 23.411 0.300 . 2 . . . . 25 LEU CD2 . 11092 1 241 . 1 1 25 25 LEU CG C 13 27.000 0.300 . 1 . . . . 25 LEU CG . 11092 1 242 . 1 1 25 25 LEU N N 15 118.085 0.300 . 1 . . . . 25 LEU N . 11092 1 243 . 1 1 26 26 CYS H H 1 9.164 0.030 . 1 . . . . 26 CYS H . 11092 1 244 . 1 1 26 26 CYS HA H 1 5.334 0.030 . 1 . . . . 26 CYS HA . 11092 1 245 . 1 1 26 26 CYS HB2 H 1 1.923 0.030 . 2 . . . . 26 CYS HB2 . 11092 1 246 . 1 1 26 26 CYS HB3 H 1 2.592 0.030 . 2 . . . . 26 CYS HB3 . 11092 1 247 . 1 1 26 26 CYS C C 13 174.953 0.300 . 1 . . . . 26 CYS C . 11092 1 248 . 1 1 26 26 CYS CA C 13 56.469 0.300 . 1 . . . . 26 CYS CA . 11092 1 249 . 1 1 26 26 CYS CB C 13 30.207 0.300 . 1 . . . . 26 CYS CB . 11092 1 250 . 1 1 26 26 CYS N N 15 121.070 0.300 . 1 . . . . 26 CYS N . 11092 1 251 . 1 1 27 27 PHE H H 1 9.157 0.030 . 1 . . . . 27 PHE H . 11092 1 252 . 1 1 27 27 PHE HA H 1 5.215 0.030 . 1 . . . . 27 PHE HA . 11092 1 253 . 1 1 27 27 PHE HB2 H 1 2.807 0.030 . 2 . . . . 27 PHE HB2 . 11092 1 254 . 1 1 27 27 PHE HB3 H 1 3.364 0.030 . 2 . . . . 27 PHE HB3 . 11092 1 255 . 1 1 27 27 PHE HD1 H 1 7.186 0.030 . 1 . . . . 27 PHE HD1 . 11092 1 256 . 1 1 27 27 PHE HD2 H 1 7.186 0.030 . 1 . . . . 27 PHE HD2 . 11092 1 257 . 1 1 27 27 PHE HE1 H 1 7.203 0.030 . 1 . . . . 27 PHE HE1 . 11092 1 258 . 1 1 27 27 PHE HE2 H 1 7.203 0.030 . 1 . . . . 27 PHE HE2 . 11092 1 259 . 1 1 27 27 PHE HZ H 1 7.163 0.030 . 1 . . . . 27 PHE HZ . 11092 1 260 . 1 1 27 27 PHE C C 13 177.122 0.300 . 1 . . . . 27 PHE C . 11092 1 261 . 1 1 27 27 PHE CA C 13 59.635 0.300 . 1 . . . . 27 PHE CA . 11092 1 262 . 1 1 27 27 PHE CB C 13 40.733 0.300 . 1 . . . . 27 PHE CB . 11092 1 263 . 1 1 27 27 PHE CD1 C 13 132.379 0.300 . 1 . . . . 27 PHE CD1 . 11092 1 264 . 1 1 27 27 PHE CD2 C 13 132.379 0.300 . 1 . . . . 27 PHE CD2 . 11092 1 265 . 1 1 27 27 PHE CE1 C 13 131.783 0.300 . 1 . . . . 27 PHE CE1 . 11092 1 266 . 1 1 27 27 PHE CE2 C 13 131.783 0.300 . 1 . . . . 27 PHE CE2 . 11092 1 267 . 1 1 27 27 PHE CZ C 13 129.270 0.300 . 1 . . . . 27 PHE CZ . 11092 1 268 . 1 1 27 27 PHE N N 15 129.689 0.300 . 1 . . . . 27 PHE N . 11092 1 269 . 1 1 28 28 HIS H H 1 9.070 0.030 . 1 . . . . 28 HIS H . 11092 1 270 . 1 1 28 28 HIS HA H 1 4.630 0.030 . 1 . . . . 28 HIS HA . 11092 1 271 . 1 1 28 28 HIS HB2 H 1 3.140 0.030 . 2 . . . . 28 HIS HB2 . 11092 1 272 . 1 1 28 28 HIS HB3 H 1 2.897 0.030 . 2 . . . . 28 HIS HB3 . 11092 1 273 . 1 1 28 28 HIS HD2 H 1 7.001 0.030 . 1 . . . . 28 HIS HD2 . 11092 1 274 . 1 1 28 28 HIS HE1 H 1 7.777 0.030 . 1 . . . . 28 HIS HE1 . 11092 1 275 . 1 1 28 28 HIS C C 13 175.874 0.300 . 1 . . . . 28 HIS C . 11092 1 276 . 1 1 28 28 HIS CA C 13 58.017 0.300 . 1 . . . . 28 HIS CA . 11092 1 277 . 1 1 28 28 HIS CB C 13 30.207 0.300 . 1 . . . . 28 HIS CB . 11092 1 278 . 1 1 28 28 HIS CE1 C 13 137.292 0.300 . 1 . . . . 28 HIS CE1 . 11092 1 279 . 1 1 28 28 HIS N N 15 123.869 0.300 . 1 . . . . 28 HIS N . 11092 1 280 . 1 1 29 29 GLY H H 1 8.895 0.030 . 1 . . . . 29 GLY H . 11092 1 281 . 1 1 29 29 GLY HA2 H 1 3.521 0.030 . 2 . . . . 29 GLY HA2 . 11092 1 282 . 1 1 29 29 GLY HA3 H 1 4.308 0.030 . 2 . . . . 29 GLY HA3 . 11092 1 283 . 1 1 29 29 GLY CA C 13 44.681 0.300 . 1 . . . . 29 GLY CA . 11092 1 284 . 1 1 29 29 GLY N N 15 118.993 0.300 . 1 . . . . 29 GLY N . 11092 1 285 . 1 1 30 30 PRO HA H 1 4.617 0.030 . 1 . . . . 30 PRO HA . 11092 1 286 . 1 1 30 30 PRO HB2 H 1 2.065 0.030 . 2 . . . . 30 PRO HB2 . 11092 1 287 . 1 1 30 30 PRO HB3 H 1 2.219 0.030 . 2 . . . . 30 PRO HB3 . 11092 1 288 . 1 1 30 30 PRO HD2 H 1 3.636 0.030 . 2 . . . . 30 PRO HD2 . 11092 1 289 . 1 1 30 30 PRO HD3 H 1 3.883 0.030 . 2 . . . . 30 PRO HD3 . 11092 1 290 . 1 1 30 30 PRO HG2 H 1 1.803 0.030 . 2 . . . . 30 PRO HG2 . 11092 1 291 . 1 1 30 30 PRO HG3 H 1 2.048 0.030 . 2 . . . . 30 PRO HG3 . 11092 1 292 . 1 1 30 30 PRO C C 13 175.556 0.300 . 1 . . . . 30 PRO C . 11092 1 293 . 1 1 30 30 PRO CA C 13 63.541 0.300 . 1 . . . . 30 PRO CA . 11092 1 294 . 1 1 30 30 PRO CB C 13 32.563 0.300 . 1 . . . . 30 PRO CB . 11092 1 295 . 1 1 30 30 PRO CD C 13 49.697 0.300 . 1 . . . . 30 PRO CD . 11092 1 296 . 1 1 30 30 PRO CG C 13 26.398 0.300 . 1 . . . . 30 PRO CG . 11092 1 297 . 1 1 31 31 LEU H H 1 7.009 0.030 . 1 . . . . 31 LEU H . 11092 1 298 . 1 1 31 31 LEU HA H 1 4.586 0.030 . 1 . . . . 31 LEU HA . 11092 1 299 . 1 1 31 31 LEU HB2 H 1 1.837 0.030 . 2 . . . . 31 LEU HB2 . 11092 1 300 . 1 1 31 31 LEU HB3 H 1 1.141 0.030 . 2 . . . . 31 LEU HB3 . 11092 1 301 . 1 1 31 31 LEU HD11 H 1 0.990 0.030 . 1 . . . . 31 LEU HD1 . 11092 1 302 . 1 1 31 31 LEU HD12 H 1 0.990 0.030 . 1 . . . . 31 LEU HD1 . 11092 1 303 . 1 1 31 31 LEU HD13 H 1 0.990 0.030 . 1 . . . . 31 LEU HD1 . 11092 1 304 . 1 1 31 31 LEU HD21 H 1 0.849 0.030 . 1 . . . . 31 LEU HD2 . 11092 1 305 . 1 1 31 31 LEU HD22 H 1 0.849 0.030 . 1 . . . . 31 LEU HD2 . 11092 1 306 . 1 1 31 31 LEU HD23 H 1 0.849 0.030 . 1 . . . . 31 LEU HD2 . 11092 1 307 . 1 1 31 31 LEU HG H 1 1.534 0.030 . 1 . . . . 31 LEU HG . 11092 1 308 . 1 1 31 31 LEU C C 13 174.285 0.300 . 1 . . . . 31 LEU C . 11092 1 309 . 1 1 31 31 LEU CA C 13 53.978 0.300 . 1 . . . . 31 LEU CA . 11092 1 310 . 1 1 31 31 LEU CB C 13 44.573 0.300 . 1 . . . . 31 LEU CB . 11092 1 311 . 1 1 31 31 LEU CD1 C 13 25.849 0.300 . 2 . . . . 31 LEU CD1 . 11092 1 312 . 1 1 31 31 LEU CD2 C 13 24.287 0.300 . 2 . . . . 31 LEU CD2 . 11092 1 313 . 1 1 31 31 LEU CG C 13 28.047 0.300 . 1 . . . . 31 LEU CG . 11092 1 314 . 1 1 31 31 LEU N N 15 116.908 0.300 . 1 . . . . 31 LEU N . 11092 1 315 . 1 1 32 32 LEU H H 1 7.590 0.030 . 1 . . . . 32 LEU H . 11092 1 316 . 1 1 32 32 LEU HA H 1 4.314 0.030 . 1 . . . . 32 LEU HA . 11092 1 317 . 1 1 32 32 LEU HB2 H 1 0.747 0.030 . 2 . . . . 32 LEU HB2 . 11092 1 318 . 1 1 32 32 LEU HB3 H 1 1.192 0.030 . 2 . . . . 32 LEU HB3 . 11092 1 319 . 1 1 32 32 LEU HD11 H 1 0.233 0.030 . 1 . . . . 32 LEU HD1 . 11092 1 320 . 1 1 32 32 LEU HD12 H 1 0.233 0.030 . 1 . . . . 32 LEU HD1 . 11092 1 321 . 1 1 32 32 LEU HD13 H 1 0.233 0.030 . 1 . . . . 32 LEU HD1 . 11092 1 322 . 1 1 32 32 LEU HD21 H 1 -0.397 0.030 . 1 . . . . 32 LEU HD2 . 11092 1 323 . 1 1 32 32 LEU HD22 H 1 -0.397 0.030 . 1 . . . . 32 LEU HD2 . 11092 1 324 . 1 1 32 32 LEU HD23 H 1 -0.397 0.030 . 1 . . . . 32 LEU HD2 . 11092 1 325 . 1 1 32 32 LEU HG H 1 0.698 0.030 . 1 . . . . 32 LEU HG . 11092 1 326 . 1 1 32 32 LEU C C 13 176.839 0.300 . 1 . . . . 32 LEU C . 11092 1 327 . 1 1 32 32 LEU CA C 13 53.232 0.300 . 1 . . . . 32 LEU CA . 11092 1 328 . 1 1 32 32 LEU CB C 13 46.490 0.300 . 1 . . . . 32 LEU CB . 11092 1 329 . 1 1 32 32 LEU CD1 C 13 24.780 0.300 . 2 . . . . 32 LEU CD1 . 11092 1 330 . 1 1 32 32 LEU CD2 C 13 22.512 0.300 . 2 . . . . 32 LEU CD2 . 11092 1 331 . 1 1 32 32 LEU CG C 13 26.758 0.300 . 1 . . . . 32 LEU CG . 11092 1 332 . 1 1 32 32 LEU N N 15 117.255 0.300 . 1 . . . . 32 LEU N . 11092 1 333 . 1 1 33 33 TYR H H 1 8.632 0.030 . 1 . . . . 33 TYR H . 11092 1 334 . 1 1 33 33 TYR HA H 1 4.580 0.030 . 1 . . . . 33 TYR HA . 11092 1 335 . 1 1 33 33 TYR HB2 H 1 2.593 0.030 . 2 . . . . 33 TYR HB2 . 11092 1 336 . 1 1 33 33 TYR HB3 H 1 3.214 0.030 . 2 . . . . 33 TYR HB3 . 11092 1 337 . 1 1 33 33 TYR HD1 H 1 7.187 0.030 . 1 . . . . 33 TYR HD1 . 11092 1 338 . 1 1 33 33 TYR HD2 H 1 7.187 0.030 . 1 . . . . 33 TYR HD2 . 11092 1 339 . 1 1 33 33 TYR HE1 H 1 7.014 0.030 . 1 . . . . 33 TYR HE1 . 11092 1 340 . 1 1 33 33 TYR HE2 H 1 7.014 0.030 . 1 . . . . 33 TYR HE2 . 11092 1 341 . 1 1 33 33 TYR C C 13 175.213 0.300 . 1 . . . . 33 TYR C . 11092 1 342 . 1 1 33 33 TYR CA C 13 57.309 0.300 . 1 . . . . 33 TYR CA . 11092 1 343 . 1 1 33 33 TYR CB C 13 42.422 0.300 . 1 . . . . 33 TYR CB . 11092 1 344 . 1 1 33 33 TYR CD1 C 13 133.692 0.300 . 1 . . . . 33 TYR CD1 . 11092 1 345 . 1 1 33 33 TYR CD2 C 13 133.692 0.300 . 1 . . . . 33 TYR CD2 . 11092 1 346 . 1 1 33 33 TYR CE1 C 13 118.424 0.300 . 1 . . . . 33 TYR CE1 . 11092 1 347 . 1 1 33 33 TYR CE2 C 13 118.424 0.300 . 1 . . . . 33 TYR CE2 . 11092 1 348 . 1 1 33 33 TYR N N 15 120.963 0.300 . 1 . . . . 33 TYR N . 11092 1 349 . 1 1 34 34 GLU H H 1 8.997 0.030 . 1 . . . . 34 GLU H . 11092 1 350 . 1 1 34 34 GLU HA H 1 4.461 0.030 . 1 . . . . 34 GLU HA . 11092 1 351 . 1 1 34 34 GLU HB2 H 1 2.017 0.030 . 2 . . . . 34 GLU HB2 . 11092 1 352 . 1 1 34 34 GLU HB3 H 1 2.221 0.030 . 2 . . . . 34 GLU HB3 . 11092 1 353 . 1 1 34 34 GLU HG2 H 1 2.323 0.030 . 1 . . . . 34 GLU HG2 . 11092 1 354 . 1 1 34 34 GLU HG3 H 1 2.323 0.030 . 1 . . . . 34 GLU HG3 . 11092 1 355 . 1 1 34 34 GLU C C 13 175.547 0.300 . 1 . . . . 34 GLU C . 11092 1 356 . 1 1 34 34 GLU CA C 13 57.911 0.300 . 1 . . . . 34 GLU CA . 11092 1 357 . 1 1 34 34 GLU CB C 13 29.385 0.300 . 1 . . . . 34 GLU CB . 11092 1 358 . 1 1 34 34 GLU CG C 13 36.951 0.300 . 1 . . . . 34 GLU CG . 11092 1 359 . 1 1 34 34 GLU N N 15 123.146 0.300 . 1 . . . . 34 GLU N . 11092 1 360 . 1 1 35 35 ALA H H 1 9.034 0.030 . 1 . . . . 35 ALA H . 11092 1 361 . 1 1 35 35 ALA HA H 1 4.788 0.030 . 1 . . . . 35 ALA HA . 11092 1 362 . 1 1 35 35 ALA HB1 H 1 0.783 0.030 . 1 . . . . 35 ALA HB . 11092 1 363 . 1 1 35 35 ALA HB2 H 1 0.783 0.030 . 1 . . . . 35 ALA HB . 11092 1 364 . 1 1 35 35 ALA HB3 H 1 0.783 0.030 . 1 . . . . 35 ALA HB . 11092 1 365 . 1 1 35 35 ALA C C 13 174.971 0.300 . 1 . . . . 35 ALA C . 11092 1 366 . 1 1 35 35 ALA CA C 13 51.121 0.300 . 1 . . . . 35 ALA CA . 11092 1 367 . 1 1 35 35 ALA CB C 13 24.108 0.300 . 1 . . . . 35 ALA CB . 11092 1 368 . 1 1 35 35 ALA N N 15 129.599 0.300 . 1 . . . . 35 ALA N . 11092 1 369 . 1 1 36 36 LYS H H 1 8.500 0.030 . 1 . . . . 36 LYS H . 11092 1 370 . 1 1 36 36 LYS HA H 1 5.042 0.030 . 1 . . . . 36 LYS HA . 11092 1 371 . 1 1 36 36 LYS HB2 H 1 1.607 0.030 . 2 . . . . 36 LYS HB2 . 11092 1 372 . 1 1 36 36 LYS HB3 H 1 1.484 0.030 . 2 . . . . 36 LYS HB3 . 11092 1 373 . 1 1 36 36 LYS HD2 H 1 1.553 0.030 . 1 . . . . 36 LYS HD2 . 11092 1 374 . 1 1 36 36 LYS HD3 H 1 1.553 0.030 . 1 . . . . 36 LYS HD3 . 11092 1 375 . 1 1 36 36 LYS HE2 H 1 2.852 0.030 . 1 . . . . 36 LYS HE2 . 11092 1 376 . 1 1 36 36 LYS HE3 H 1 2.852 0.030 . 1 . . . . 36 LYS HE3 . 11092 1 377 . 1 1 36 36 LYS HG2 H 1 1.147 0.030 . 2 . . . . 36 LYS HG2 . 11092 1 378 . 1 1 36 36 LYS HG3 H 1 1.080 0.030 . 2 . . . . 36 LYS HG3 . 11092 1 379 . 1 1 36 36 LYS C C 13 175.516 0.300 . 1 . . . . 36 LYS C . 11092 1 380 . 1 1 36 36 LYS CA C 13 54.358 0.300 . 1 . . . . 36 LYS CA . 11092 1 381 . 1 1 36 36 LYS CB C 13 36.423 0.300 . 1 . . . . 36 LYS CB . 11092 1 382 . 1 1 36 36 LYS CD C 13 29.221 0.300 . 1 . . . . 36 LYS CD . 11092 1 383 . 1 1 36 36 LYS CE C 13 41.802 0.300 . 1 . . . . 36 LYS CE . 11092 1 384 . 1 1 36 36 LYS CG C 13 24.698 0.300 . 1 . . . . 36 LYS CG . 11092 1 385 . 1 1 36 36 LYS N N 15 119.167 0.300 . 1 . . . . 36 LYS N . 11092 1 386 . 1 1 37 37 CYS H H 1 8.267 0.030 . 1 . . . . 37 CYS H . 11092 1 387 . 1 1 37 37 CYS HA H 1 4.297 0.030 . 1 . . . . 37 CYS HA . 11092 1 388 . 1 1 37 37 CYS HB2 H 1 2.794 0.030 . 2 . . . . 37 CYS HB2 . 11092 1 389 . 1 1 37 37 CYS HB3 H 1 2.700 0.030 . 2 . . . . 37 CYS HB3 . 11092 1 390 . 1 1 37 37 CYS C C 13 174.185 0.300 . 1 . . . . 37 CYS C . 11092 1 391 . 1 1 37 37 CYS CA C 13 58.721 0.300 . 1 . . . . 37 CYS CA . 11092 1 392 . 1 1 37 37 CYS CB C 13 26.342 0.300 . 1 . . . . 37 CYS CB . 11092 1 393 . 1 1 37 37 CYS N N 15 122.553 0.300 . 1 . . . . 37 CYS N . 11092 1 394 . 1 1 38 38 VAL H H 1 9.486 0.030 . 1 . . . . 38 VAL H . 11092 1 395 . 1 1 38 38 VAL HA H 1 3.994 0.030 . 1 . . . . 38 VAL HA . 11092 1 396 . 1 1 38 38 VAL HB H 1 2.042 0.030 . 1 . . . . 38 VAL HB . 11092 1 397 . 1 1 38 38 VAL HG11 H 1 0.968 0.030 . 1 . . . . 38 VAL HG1 . 11092 1 398 . 1 1 38 38 VAL HG12 H 1 0.968 0.030 . 1 . . . . 38 VAL HG1 . 11092 1 399 . 1 1 38 38 VAL HG13 H 1 0.968 0.030 . 1 . . . . 38 VAL HG1 . 11092 1 400 . 1 1 38 38 VAL HG21 H 1 0.875 0.030 . 1 . . . . 38 VAL HG2 . 11092 1 401 . 1 1 38 38 VAL HG22 H 1 0.875 0.030 . 1 . . . . 38 VAL HG2 . 11092 1 402 . 1 1 38 38 VAL HG23 H 1 0.875 0.030 . 1 . . . . 38 VAL HG2 . 11092 1 403 . 1 1 38 38 VAL C C 13 176.051 0.300 . 1 . . . . 38 VAL C . 11092 1 404 . 1 1 38 38 VAL CA C 13 64.737 0.300 . 1 . . . . 38 VAL CA . 11092 1 405 . 1 1 38 38 VAL CB C 13 33.166 0.300 . 1 . . . . 38 VAL CB . 11092 1 406 . 1 1 38 38 VAL CG1 C 13 21.266 0.300 . 2 . . . . 38 VAL CG1 . 11092 1 407 . 1 1 38 38 VAL CG2 C 13 22.307 0.300 . 2 . . . . 38 VAL CG2 . 11092 1 408 . 1 1 38 38 VAL N N 15 130.015 0.300 . 1 . . . . 38 VAL N . 11092 1 409 . 1 1 39 39 LYS H H 1 7.510 0.030 . 1 . . . . 39 LYS H . 11092 1 410 . 1 1 39 39 LYS HA H 1 4.887 0.030 . 1 . . . . 39 LYS HA . 11092 1 411 . 1 1 39 39 LYS HB2 H 1 1.570 0.030 . 2 . . . . 39 LYS HB2 . 11092 1 412 . 1 1 39 39 LYS HB3 H 1 1.937 0.030 . 2 . . . . 39 LYS HB3 . 11092 1 413 . 1 1 39 39 LYS HD2 H 1 1.763 0.030 . 2 . . . . 39 LYS HD2 . 11092 1 414 . 1 1 39 39 LYS HD3 H 1 1.550 0.030 . 2 . . . . 39 LYS HD3 . 11092 1 415 . 1 1 39 39 LYS HE2 H 1 2.867 0.030 . 1 . . . . 39 LYS HE2 . 11092 1 416 . 1 1 39 39 LYS HE3 H 1 2.867 0.030 . 1 . . . . 39 LYS HE3 . 11092 1 417 . 1 1 39 39 LYS HG2 H 1 1.394 0.030 . 2 . . . . 39 LYS HG2 . 11092 1 418 . 1 1 39 39 LYS HG3 H 1 1.505 0.030 . 2 . . . . 39 LYS HG3 . 11092 1 419 . 1 1 39 39 LYS C C 13 174.327 0.300 . 1 . . . . 39 LYS C . 11092 1 420 . 1 1 39 39 LYS CA C 13 54.604 0.300 . 1 . . . . 39 LYS CA . 11092 1 421 . 1 1 39 39 LYS CB C 13 37.678 0.300 . 1 . . . . 39 LYS CB . 11092 1 422 . 1 1 39 39 LYS CD C 13 29.056 0.300 . 1 . . . . 39 LYS CD . 11092 1 423 . 1 1 39 39 LYS CE C 13 42.131 0.300 . 1 . . . . 39 LYS CE . 11092 1 424 . 1 1 39 39 LYS CG C 13 25.196 0.300 . 1 . . . . 39 LYS CG . 11092 1 425 . 1 1 39 39 LYS N N 15 114.272 0.300 . 1 . . . . 39 LYS N . 11092 1 426 . 1 1 40 40 VAL H H 1 9.065 0.030 . 1 . . . . 40 VAL H . 11092 1 427 . 1 1 40 40 VAL HA H 1 4.760 0.030 . 1 . . . . 40 VAL HA . 11092 1 428 . 1 1 40 40 VAL HB H 1 2.051 0.030 . 1 . . . . 40 VAL HB . 11092 1 429 . 1 1 40 40 VAL HG11 H 1 0.914 0.030 . 1 . . . . 40 VAL HG1 . 11092 1 430 . 1 1 40 40 VAL HG12 H 1 0.914 0.030 . 1 . . . . 40 VAL HG1 . 11092 1 431 . 1 1 40 40 VAL HG13 H 1 0.914 0.030 . 1 . . . . 40 VAL HG1 . 11092 1 432 . 1 1 40 40 VAL HG21 H 1 1.061 0.030 . 1 . . . . 40 VAL HG2 . 11092 1 433 . 1 1 40 40 VAL HG22 H 1 1.061 0.030 . 1 . . . . 40 VAL HG2 . 11092 1 434 . 1 1 40 40 VAL HG23 H 1 1.061 0.030 . 1 . . . . 40 VAL HG2 . 11092 1 435 . 1 1 40 40 VAL C C 13 174.852 0.300 . 1 . . . . 40 VAL C . 11092 1 436 . 1 1 40 40 VAL CA C 13 61.465 0.300 . 1 . . . . 40 VAL CA . 11092 1 437 . 1 1 40 40 VAL CB C 13 34.638 0.300 . 1 . . . . 40 VAL CB . 11092 1 438 . 1 1 40 40 VAL CG1 C 13 20.846 0.300 . 2 . . . . 40 VAL CG1 . 11092 1 439 . 1 1 40 40 VAL CG2 C 13 21.228 0.300 . 2 . . . . 40 VAL CG2 . 11092 1 440 . 1 1 40 40 VAL N N 15 123.508 0.300 . 1 . . . . 40 VAL N . 11092 1 441 . 1 1 41 41 ALA H H 1 9.186 0.030 . 1 . . . . 41 ALA H . 11092 1 442 . 1 1 41 41 ALA HA H 1 4.754 0.030 . 1 . . . . 41 ALA HA . 11092 1 443 . 1 1 41 41 ALA HB1 H 1 1.144 0.030 . 1 . . . . 41 ALA HB . 11092 1 444 . 1 1 41 41 ALA HB2 H 1 1.144 0.030 . 1 . . . . 41 ALA HB . 11092 1 445 . 1 1 41 41 ALA HB3 H 1 1.144 0.030 . 1 . . . . 41 ALA HB . 11092 1 446 . 1 1 41 41 ALA C C 13 174.683 0.300 . 1 . . . . 41 ALA C . 11092 1 447 . 1 1 41 41 ALA CA C 13 51.578 0.300 . 1 . . . . 41 ALA CA . 11092 1 448 . 1 1 41 41 ALA CB C 13 23.471 0.300 . 1 . . . . 41 ALA CB . 11092 1 449 . 1 1 41 41 ALA N N 15 129.483 0.300 . 1 . . . . 41 ALA N . 11092 1 450 . 1 1 42 42 ILE H H 1 8.426 0.030 . 1 . . . . 42 ILE H . 11092 1 451 . 1 1 42 42 ILE HA H 1 4.683 0.030 . 1 . . . . 42 ILE HA . 11092 1 452 . 1 1 42 42 ILE HB H 1 1.714 0.030 . 1 . . . . 42 ILE HB . 11092 1 453 . 1 1 42 42 ILE HD11 H 1 0.801 0.030 . 1 . . . . 42 ILE HD1 . 11092 1 454 . 1 1 42 42 ILE HD12 H 1 0.801 0.030 . 1 . . . . 42 ILE HD1 . 11092 1 455 . 1 1 42 42 ILE HD13 H 1 0.801 0.030 . 1 . . . . 42 ILE HD1 . 11092 1 456 . 1 1 42 42 ILE HG12 H 1 1.479 0.030 . 2 . . . . 42 ILE HG12 . 11092 1 457 . 1 1 42 42 ILE HG13 H 1 0.967 0.030 . 2 . . . . 42 ILE HG13 . 11092 1 458 . 1 1 42 42 ILE HG21 H 1 0.645 0.030 . 1 . . . . 42 ILE HG2 . 11092 1 459 . 1 1 42 42 ILE HG22 H 1 0.645 0.030 . 1 . . . . 42 ILE HG2 . 11092 1 460 . 1 1 42 42 ILE HG23 H 1 0.645 0.030 . 1 . . . . 42 ILE HG2 . 11092 1 461 . 1 1 42 42 ILE C C 13 175.860 0.300 . 1 . . . . 42 ILE C . 11092 1 462 . 1 1 42 42 ILE CA C 13 60.093 0.300 . 1 . . . . 42 ILE CA . 11092 1 463 . 1 1 42 42 ILE CB C 13 38.546 0.300 . 1 . . . . 42 ILE CB . 11092 1 464 . 1 1 42 42 ILE CD1 C 13 13.394 0.300 . 1 . . . . 42 ILE CD1 . 11092 1 465 . 1 1 42 42 ILE CG1 C 13 27.865 0.300 . 1 . . . . 42 ILE CG1 . 11092 1 466 . 1 1 42 42 ILE CG2 C 13 17.461 0.300 . 1 . . . . 42 ILE CG2 . 11092 1 467 . 1 1 42 42 ILE N N 15 120.932 0.300 . 1 . . . . 42 ILE N . 11092 1 468 . 1 1 43 43 LYS H H 1 8.607 0.030 . 1 . . . . 43 LYS H . 11092 1 469 . 1 1 43 43 LYS HA H 1 4.463 0.030 . 1 . . . . 43 LYS HA . 11092 1 470 . 1 1 43 43 LYS HB2 H 1 1.567 0.030 . 2 . . . . 43 LYS HB2 . 11092 1 471 . 1 1 43 43 LYS HB3 H 1 1.430 0.030 . 2 . . . . 43 LYS HB3 . 11092 1 472 . 1 1 43 43 LYS HD2 H 1 1.380 0.030 . 1 . . . . 43 LYS HD2 . 11092 1 473 . 1 1 43 43 LYS HD3 H 1 1.380 0.030 . 1 . . . . 43 LYS HD3 . 11092 1 474 . 1 1 43 43 LYS HE2 H 1 2.639 0.030 . 1 . . . . 43 LYS HE2 . 11092 1 475 . 1 1 43 43 LYS HE3 H 1 2.639 0.030 . 1 . . . . 43 LYS HE3 . 11092 1 476 . 1 1 43 43 LYS HG2 H 1 1.149 0.030 . 1 . . . . 43 LYS HG2 . 11092 1 477 . 1 1 43 43 LYS HG3 H 1 1.149 0.030 . 1 . . . . 43 LYS HG3 . 11092 1 478 . 1 1 43 43 LYS C C 13 175.680 0.300 . 1 . . . . 43 LYS C . 11092 1 479 . 1 1 43 43 LYS CA C 13 54.991 0.300 . 1 . . . . 43 LYS CA . 11092 1 480 . 1 1 43 43 LYS CB C 13 34.977 0.300 . 1 . . . . 43 LYS CB . 11092 1 481 . 1 1 43 43 LYS CD C 13 28.859 0.300 . 1 . . . . 43 LYS CD . 11092 1 482 . 1 1 43 43 LYS CE C 13 42.074 0.300 . 1 . . . . 43 LYS CE . 11092 1 483 . 1 1 43 43 LYS CG C 13 24.449 0.300 . 1 . . . . 43 LYS CG . 11092 1 484 . 1 1 43 43 LYS N N 15 128.550 0.300 . 1 . . . . 43 LYS N . 11092 1 485 . 1 1 44 44 ASP H H 1 9.407 0.030 . 1 . . . . 44 ASP H . 11092 1 486 . 1 1 44 44 ASP HA H 1 4.226 0.030 . 1 . . . . 44 ASP HA . 11092 1 487 . 1 1 44 44 ASP HB2 H 1 2.620 0.030 . 2 . . . . 44 ASP HB2 . 11092 1 488 . 1 1 44 44 ASP HB3 H 1 2.826 0.030 . 2 . . . . 44 ASP HB3 . 11092 1 489 . 1 1 44 44 ASP C C 13 175.153 0.300 . 1 . . . . 44 ASP C . 11092 1 490 . 1 1 44 44 ASP CA C 13 55.930 0.300 . 1 . . . . 44 ASP CA . 11092 1 491 . 1 1 44 44 ASP CB C 13 39.368 0.300 . 1 . . . . 44 ASP CB . 11092 1 492 . 1 1 44 44 ASP N N 15 127.323 0.300 . 1 . . . . 44 ASP N . 11092 1 493 . 1 1 45 45 LYS H H 1 8.715 0.030 . 1 . . . . 45 LYS H . 11092 1 494 . 1 1 45 45 LYS HA H 1 3.564 0.030 . 1 . . . . 45 LYS HA . 11092 1 495 . 1 1 45 45 LYS HB2 H 1 2.098 0.030 . 2 . . . . 45 LYS HB2 . 11092 1 496 . 1 1 45 45 LYS HB3 H 1 1.989 0.030 . 2 . . . . 45 LYS HB3 . 11092 1 497 . 1 1 45 45 LYS HD2 H 1 1.582 0.030 . 2 . . . . 45 LYS HD2 . 11092 1 498 . 1 1 45 45 LYS HD3 H 1 1.661 0.030 . 2 . . . . 45 LYS HD3 . 11092 1 499 . 1 1 45 45 LYS HE2 H 1 2.962 0.030 . 1 . . . . 45 LYS HE2 . 11092 1 500 . 1 1 45 45 LYS HE3 H 1 2.962 0.030 . 1 . . . . 45 LYS HE3 . 11092 1 501 . 1 1 45 45 LYS HG2 H 1 1.381 0.030 . 2 . . . . 45 LYS HG2 . 11092 1 502 . 1 1 45 45 LYS HG3 H 1 1.353 0.030 . 2 . . . . 45 LYS HG3 . 11092 1 503 . 1 1 45 45 LYS C C 13 174.532 0.300 . 1 . . . . 45 LYS C . 11092 1 504 . 1 1 45 45 LYS CA C 13 57.612 0.300 . 1 . . . . 45 LYS CA . 11092 1 505 . 1 1 45 45 LYS CB C 13 30.158 0.300 . 1 . . . . 45 LYS CB . 11092 1 506 . 1 1 45 45 LYS CD C 13 29.115 0.300 . 1 . . . . 45 LYS CD . 11092 1 507 . 1 1 45 45 LYS CE C 13 42.368 0.300 . 1 . . . . 45 LYS CE . 11092 1 508 . 1 1 45 45 LYS CG C 13 25.405 0.300 . 1 . . . . 45 LYS CG . 11092 1 509 . 1 1 45 45 LYS N N 15 109.493 0.300 . 1 . . . . 45 LYS N . 11092 1 510 . 1 1 46 46 GLN H H 1 7.792 0.030 . 1 . . . . 46 GLN H . 11092 1 511 . 1 1 46 46 GLN HA H 1 4.663 0.030 . 1 . . . . 46 GLN HA . 11092 1 512 . 1 1 46 46 GLN HB2 H 1 2.154 0.030 . 2 . . . . 46 GLN HB2 . 11092 1 513 . 1 1 46 46 GLN HB3 H 1 2.019 0.030 . 2 . . . . 46 GLN HB3 . 11092 1 514 . 1 1 46 46 GLN HE21 H 1 6.965 0.030 . 2 . . . . 46 GLN HE21 . 11092 1 515 . 1 1 46 46 GLN HE22 H 1 7.542 0.030 . 2 . . . . 46 GLN HE22 . 11092 1 516 . 1 1 46 46 GLN HG2 H 1 2.361 0.030 . 1 . . . . 46 GLN HG2 . 11092 1 517 . 1 1 46 46 GLN HG3 H 1 2.361 0.030 . 1 . . . . 46 GLN HG3 . 11092 1 518 . 1 1 46 46 GLN C C 13 174.100 0.300 . 1 . . . . 46 GLN C . 11092 1 519 . 1 1 46 46 GLN CA C 13 54.322 0.300 . 1 . . . . 46 GLN CA . 11092 1 520 . 1 1 46 46 GLN CB C 13 31.852 0.300 . 1 . . . . 46 GLN CB . 11092 1 521 . 1 1 46 46 GLN CG C 13 33.588 0.300 . 1 . . . . 46 GLN CG . 11092 1 522 . 1 1 46 46 GLN N N 15 117.824 0.300 . 1 . . . . 46 GLN N . 11092 1 523 . 1 1 46 46 GLN NE2 N 15 112.349 0.300 . 1 . . . . 46 GLN NE2 . 11092 1 524 . 1 1 47 47 VAL H H 1 8.679 0.030 . 1 . . . . 47 VAL H . 11092 1 525 . 1 1 47 47 VAL HA H 1 4.339 0.030 . 1 . . . . 47 VAL HA . 11092 1 526 . 1 1 47 47 VAL HB H 1 1.874 0.030 . 1 . . . . 47 VAL HB . 11092 1 527 . 1 1 47 47 VAL HG11 H 1 0.675 0.030 . 1 . . . . 47 VAL HG1 . 11092 1 528 . 1 1 47 47 VAL HG12 H 1 0.675 0.030 . 1 . . . . 47 VAL HG1 . 11092 1 529 . 1 1 47 47 VAL HG13 H 1 0.675 0.030 . 1 . . . . 47 VAL HG1 . 11092 1 530 . 1 1 47 47 VAL HG21 H 1 0.792 0.030 . 1 . . . . 47 VAL HG2 . 11092 1 531 . 1 1 47 47 VAL HG22 H 1 0.792 0.030 . 1 . . . . 47 VAL HG2 . 11092 1 532 . 1 1 47 47 VAL HG23 H 1 0.792 0.030 . 1 . . . . 47 VAL HG2 . 11092 1 533 . 1 1 47 47 VAL C C 13 175.559 0.300 . 1 . . . . 47 VAL C . 11092 1 534 . 1 1 47 47 VAL CA C 13 62.542 0.300 . 1 . . . . 47 VAL CA . 11092 1 535 . 1 1 47 47 VAL CB C 13 32.256 0.300 . 1 . . . . 47 VAL CB . 11092 1 536 . 1 1 47 47 VAL CG1 C 13 21.634 0.300 . 2 . . . . 47 VAL CG1 . 11092 1 537 . 1 1 47 47 VAL CG2 C 13 21.903 0.300 . 2 . . . . 47 VAL CG2 . 11092 1 538 . 1 1 47 47 VAL N N 15 123.291 0.300 . 1 . . . . 47 VAL N . 11092 1 539 . 1 1 48 48 LYS H H 1 9.041 0.030 . 1 . . . . 48 LYS H . 11092 1 540 . 1 1 48 48 LYS HA H 1 5.169 0.030 . 1 . . . . 48 LYS HA . 11092 1 541 . 1 1 48 48 LYS HB2 H 1 1.638 0.030 . 2 . . . . 48 LYS HB2 . 11092 1 542 . 1 1 48 48 LYS HB3 H 1 1.880 0.030 . 2 . . . . 48 LYS HB3 . 11092 1 543 . 1 1 48 48 LYS HD2 H 1 1.452 0.030 . 2 . . . . 48 LYS HD2 . 11092 1 544 . 1 1 48 48 LYS HD3 H 1 1.394 0.030 . 2 . . . . 48 LYS HD3 . 11092 1 545 . 1 1 48 48 LYS HE2 H 1 2.631 0.030 . 1 . . . . 48 LYS HE2 . 11092 1 546 . 1 1 48 48 LYS HE3 H 1 2.631 0.030 . 1 . . . . 48 LYS HE3 . 11092 1 547 . 1 1 48 48 LYS HG2 H 1 1.392 0.030 . 2 . . . . 48 LYS HG2 . 11092 1 548 . 1 1 48 48 LYS HG3 H 1 1.254 0.030 . 2 . . . . 48 LYS HG3 . 11092 1 549 . 1 1 48 48 LYS C C 13 173.666 0.300 . 1 . . . . 48 LYS C . 11092 1 550 . 1 1 48 48 LYS CA C 13 54.326 0.300 . 1 . . . . 48 LYS CA . 11092 1 551 . 1 1 48 48 LYS CB C 13 37.475 0.300 . 1 . . . . 48 LYS CB . 11092 1 552 . 1 1 48 48 LYS CD C 13 29.498 0.300 . 1 . . . . 48 LYS CD . 11092 1 553 . 1 1 48 48 LYS CE C 13 41.967 0.300 . 1 . . . . 48 LYS CE . 11092 1 554 . 1 1 48 48 LYS CG C 13 25.294 0.300 . 1 . . . . 48 LYS CG . 11092 1 555 . 1 1 48 48 LYS N N 15 126.846 0.300 . 1 . . . . 48 LYS N . 11092 1 556 . 1 1 49 49 TYR H H 1 9.180 0.030 . 1 . . . . 49 TYR H . 11092 1 557 . 1 1 49 49 TYR HA H 1 5.493 0.030 . 1 . . . . 49 TYR HA . 11092 1 558 . 1 1 49 49 TYR HB2 H 1 2.502 0.030 . 2 . . . . 49 TYR HB2 . 11092 1 559 . 1 1 49 49 TYR HB3 H 1 2.800 0.030 . 2 . . . . 49 TYR HB3 . 11092 1 560 . 1 1 49 49 TYR HD1 H 1 7.014 0.030 . 1 . . . . 49 TYR HD1 . 11092 1 561 . 1 1 49 49 TYR HD2 H 1 7.014 0.030 . 1 . . . . 49 TYR HD2 . 11092 1 562 . 1 1 49 49 TYR HE1 H 1 6.879 0.030 . 1 . . . . 49 TYR HE1 . 11092 1 563 . 1 1 49 49 TYR HE2 H 1 6.879 0.030 . 1 . . . . 49 TYR HE2 . 11092 1 564 . 1 1 49 49 TYR C C 13 174.333 0.300 . 1 . . . . 49 TYR C . 11092 1 565 . 1 1 49 49 TYR CA C 13 56.328 0.300 . 1 . . . . 49 TYR CA . 11092 1 566 . 1 1 49 49 TYR CB C 13 42.444 0.300 . 1 . . . . 49 TYR CB . 11092 1 567 . 1 1 49 49 TYR CD1 C 13 133.200 0.300 . 1 . . . . 49 TYR CD1 . 11092 1 568 . 1 1 49 49 TYR CD2 C 13 133.200 0.300 . 1 . . . . 49 TYR CD2 . 11092 1 569 . 1 1 49 49 TYR CE1 C 13 118.472 0.300 . 1 . . . . 49 TYR CE1 . 11092 1 570 . 1 1 49 49 TYR CE2 C 13 118.472 0.300 . 1 . . . . 49 TYR CE2 . 11092 1 571 . 1 1 49 49 TYR N N 15 116.417 0.300 . 1 . . . . 49 TYR N . 11092 1 572 . 1 1 50 50 PHE H H 1 8.833 0.030 . 1 . . . . 50 PHE H . 11092 1 573 . 1 1 50 50 PHE HA H 1 4.241 0.030 . 1 . . . . 50 PHE HA . 11092 1 574 . 1 1 50 50 PHE HB2 H 1 2.087 0.030 . 2 . . . . 50 PHE HB2 . 11092 1 575 . 1 1 50 50 PHE HB3 H 1 0.300 0.030 . 2 . . . . 50 PHE HB3 . 11092 1 576 . 1 1 50 50 PHE HD1 H 1 5.690 0.030 . 1 . . . . 50 PHE HD1 . 11092 1 577 . 1 1 50 50 PHE HD2 H 1 5.690 0.030 . 1 . . . . 50 PHE HD2 . 11092 1 578 . 1 1 50 50 PHE HE1 H 1 7.102 0.030 . 1 . . . . 50 PHE HE1 . 11092 1 579 . 1 1 50 50 PHE HE2 H 1 7.102 0.030 . 1 . . . . 50 PHE HE2 . 11092 1 580 . 1 1 50 50 PHE HZ H 1 7.169 0.030 . 1 . . . . 50 PHE HZ . 11092 1 581 . 1 1 50 50 PHE C C 13 173.595 0.300 . 1 . . . . 50 PHE C . 11092 1 582 . 1 1 50 50 PHE CA C 13 57.032 0.300 . 1 . . . . 50 PHE CA . 11092 1 583 . 1 1 50 50 PHE CB C 13 38.513 0.300 . 1 . . . . 50 PHE CB . 11092 1 584 . 1 1 50 50 PHE CD1 C 13 130.505 0.300 . 1 . . . . 50 PHE CD1 . 11092 1 585 . 1 1 50 50 PHE CD2 C 13 130.505 0.300 . 1 . . . . 50 PHE CD2 . 11092 1 586 . 1 1 50 50 PHE CE1 C 13 130.623 0.300 . 1 . . . . 50 PHE CE1 . 11092 1 587 . 1 1 50 50 PHE CE2 C 13 130.623 0.300 . 1 . . . . 50 PHE CE2 . 11092 1 588 . 1 1 50 50 PHE CZ C 13 130.554 0.300 . 1 . . . . 50 PHE CZ . 11092 1 589 . 1 1 50 50 PHE N N 15 127.511 0.300 . 1 . . . . 50 PHE N . 11092 1 590 . 1 1 51 51 ILE H H 1 8.397 0.030 . 1 . . . . 51 ILE H . 11092 1 591 . 1 1 51 51 ILE HA H 1 4.344 0.030 . 1 . . . . 51 ILE HA . 11092 1 592 . 1 1 51 51 ILE HB H 1 1.589 0.030 . 1 . . . . 51 ILE HB . 11092 1 593 . 1 1 51 51 ILE HD11 H 1 0.219 0.030 . 1 . . . . 51 ILE HD1 . 11092 1 594 . 1 1 51 51 ILE HD12 H 1 0.219 0.030 . 1 . . . . 51 ILE HD1 . 11092 1 595 . 1 1 51 51 ILE HD13 H 1 0.219 0.030 . 1 . . . . 51 ILE HD1 . 11092 1 596 . 1 1 51 51 ILE HG12 H 1 1.294 0.030 . 2 . . . . 51 ILE HG12 . 11092 1 597 . 1 1 51 51 ILE HG13 H 1 1.326 0.030 . 2 . . . . 51 ILE HG13 . 11092 1 598 . 1 1 51 51 ILE HG21 H 1 -0.147 0.030 . 1 . . . . 51 ILE HG2 . 11092 1 599 . 1 1 51 51 ILE HG22 H 1 -0.147 0.030 . 1 . . . . 51 ILE HG2 . 11092 1 600 . 1 1 51 51 ILE HG23 H 1 -0.147 0.030 . 1 . . . . 51 ILE HG2 . 11092 1 601 . 1 1 51 51 ILE C C 13 173.689 0.300 . 1 . . . . 51 ILE C . 11092 1 602 . 1 1 51 51 ILE CA C 13 57.102 0.300 . 1 . . . . 51 ILE CA . 11092 1 603 . 1 1 51 51 ILE CB C 13 38.830 0.300 . 1 . . . . 51 ILE CB . 11092 1 604 . 1 1 51 51 ILE CD1 C 13 10.283 0.300 . 1 . . . . 51 ILE CD1 . 11092 1 605 . 1 1 51 51 ILE CG1 C 13 26.556 0.300 . 1 . . . . 51 ILE CG1 . 11092 1 606 . 1 1 51 51 ILE CG2 C 13 16.943 0.300 . 1 . . . . 51 ILE CG2 . 11092 1 607 . 1 1 51 51 ILE N N 15 130.287 0.300 . 1 . . . . 51 ILE N . 11092 1 608 . 1 1 52 52 HIS H H 1 7.713 0.030 . 1 . . . . 52 HIS H . 11092 1 609 . 1 1 52 52 HIS HA H 1 4.944 0.030 . 1 . . . . 52 HIS HA . 11092 1 610 . 1 1 52 52 HIS HB2 H 1 2.773 0.030 . 2 . . . . 52 HIS HB2 . 11092 1 611 . 1 1 52 52 HIS HB3 H 1 2.654 0.030 . 2 . . . . 52 HIS HB3 . 11092 1 612 . 1 1 52 52 HIS HD2 H 1 6.884 0.030 . 1 . . . . 52 HIS HD2 . 11092 1 613 . 1 1 52 52 HIS HE1 H 1 8.380 0.030 . 1 . . . . 52 HIS HE1 . 11092 1 614 . 1 1 52 52 HIS C C 13 174.658 0.300 . 1 . . . . 52 HIS C . 11092 1 615 . 1 1 52 52 HIS CA C 13 53.056 0.300 . 1 . . . . 52 HIS CA . 11092 1 616 . 1 1 52 52 HIS CB C 13 31.153 0.300 . 1 . . . . 52 HIS CB . 11092 1 617 . 1 1 52 52 HIS CD2 C 13 119.836 0.300 . 1 . . . . 52 HIS CD2 . 11092 1 618 . 1 1 52 52 HIS CE1 C 13 136.789 0.300 . 1 . . . . 52 HIS CE1 . 11092 1 619 . 1 1 52 52 HIS N N 15 119.645 0.300 . 1 . . . . 52 HIS N . 11092 1 620 . 1 1 53 53 TYR H H 1 8.134 0.030 . 1 . . . . 53 TYR H . 11092 1 621 . 1 1 53 53 TYR HA H 1 3.841 0.030 . 1 . . . . 53 TYR HA . 11092 1 622 . 1 1 53 53 TYR HB2 H 1 1.991 0.030 . 2 . . . . 53 TYR HB2 . 11092 1 623 . 1 1 53 53 TYR HB3 H 1 1.500 0.030 . 2 . . . . 53 TYR HB3 . 11092 1 624 . 1 1 53 53 TYR HD1 H 1 6.647 0.030 . 1 . . . . 53 TYR HD1 . 11092 1 625 . 1 1 53 53 TYR HD2 H 1 6.647 0.030 . 1 . . . . 53 TYR HD2 . 11092 1 626 . 1 1 53 53 TYR HE1 H 1 6.541 0.030 . 1 . . . . 53 TYR HE1 . 11092 1 627 . 1 1 53 53 TYR HE2 H 1 6.541 0.030 . 1 . . . . 53 TYR HE2 . 11092 1 628 . 1 1 53 53 TYR C C 13 175.411 0.300 . 1 . . . . 53 TYR C . 11092 1 629 . 1 1 53 53 TYR CA C 13 58.615 0.300 . 1 . . . . 53 TYR CA . 11092 1 630 . 1 1 53 53 TYR CB C 13 37.475 0.300 . 1 . . . . 53 TYR CB . 11092 1 631 . 1 1 53 53 TYR CD1 C 13 133.204 0.300 . 1 . . . . 53 TYR CD1 . 11092 1 632 . 1 1 53 53 TYR CD2 C 13 133.204 0.300 . 1 . . . . 53 TYR CD2 . 11092 1 633 . 1 1 53 53 TYR CE1 C 13 117.094 0.300 . 1 . . . . 53 TYR CE1 . 11092 1 634 . 1 1 53 53 TYR CE2 C 13 117.094 0.300 . 1 . . . . 53 TYR CE2 . 11092 1 635 . 1 1 53 53 TYR N N 15 129.353 0.300 . 1 . . . . 53 TYR N . 11092 1 636 . 1 1 54 54 SER H H 1 7.996 0.030 . 1 . . . . 54 SER H . 11092 1 637 . 1 1 54 54 SER HA H 1 4.026 0.030 . 1 . . . . 54 SER HA . 11092 1 638 . 1 1 54 54 SER HB2 H 1 3.747 0.030 . 2 . . . . 54 SER HB2 . 11092 1 639 . 1 1 54 54 SER HB3 H 1 3.475 0.030 . 2 . . . . 54 SER HB3 . 11092 1 640 . 1 1 54 54 SER C C 13 175.486 0.300 . 1 . . . . 54 SER C . 11092 1 641 . 1 1 54 54 SER CA C 13 59.741 0.300 . 1 . . . . 54 SER CA . 11092 1 642 . 1 1 54 54 SER CB C 13 62.835 0.300 . 1 . . . . 54 SER CB . 11092 1 643 . 1 1 54 54 SER N N 15 117.640 0.300 . 1 . . . . 54 SER N . 11092 1 644 . 1 1 55 55 GLY HA2 H 1 3.734 0.030 . 2 . . . . 55 GLY HA2 . 11092 1 645 . 1 1 55 55 GLY HA3 H 1 4.133 0.030 . 2 . . . . 55 GLY HA3 . 11092 1 646 . 1 1 55 55 GLY C C 13 174.299 0.300 . 1 . . . . 55 GLY C . 11092 1 647 . 1 1 55 55 GLY CA C 13 45.338 0.300 . 1 . . . . 55 GLY CA . 11092 1 648 . 1 1 56 56 TRP H H 1 7.978 0.030 . 1 . . . . 56 TRP H . 11092 1 649 . 1 1 56 56 TRP HA H 1 4.882 0.030 . 1 . . . . 56 TRP HA . 11092 1 650 . 1 1 56 56 TRP HB2 H 1 3.031 0.030 . 2 . . . . 56 TRP HB2 . 11092 1 651 . 1 1 56 56 TRP HB3 H 1 3.130 0.030 . 2 . . . . 56 TRP HB3 . 11092 1 652 . 1 1 56 56 TRP HD1 H 1 6.724 0.030 . 1 . . . . 56 TRP HD1 . 11092 1 653 . 1 1 56 56 TRP HE1 H 1 9.207 0.030 . 1 . . . . 56 TRP HE1 . 11092 1 654 . 1 1 56 56 TRP HE3 H 1 6.928 0.030 . 1 . . . . 56 TRP HE3 . 11092 1 655 . 1 1 56 56 TRP HH2 H 1 5.911 0.030 . 1 . . . . 56 TRP HH2 . 11092 1 656 . 1 1 56 56 TRP HZ2 H 1 6.175 0.030 . 1 . . . . 56 TRP HZ2 . 11092 1 657 . 1 1 56 56 TRP HZ3 H 1 5.675 0.030 . 1 . . . . 56 TRP HZ3 . 11092 1 658 . 1 1 56 56 TRP CA C 13 55.124 0.300 . 1 . . . . 56 TRP CA . 11092 1 659 . 1 1 56 56 TRP CB C 13 30.365 0.300 . 1 . . . . 56 TRP CB . 11092 1 660 . 1 1 56 56 TRP CD1 C 13 124.709 0.300 . 1 . . . . 56 TRP CD1 . 11092 1 661 . 1 1 56 56 TRP CE3 C 13 120.755 0.300 . 1 . . . . 56 TRP CE3 . 11092 1 662 . 1 1 56 56 TRP CH2 C 13 123.543 0.300 . 1 . . . . 56 TRP CH2 . 11092 1 663 . 1 1 56 56 TRP CZ2 C 13 113.144 0.300 . 1 . . . . 56 TRP CZ2 . 11092 1 664 . 1 1 56 56 TRP CZ3 C 13 120.550 0.300 . 1 . . . . 56 TRP CZ3 . 11092 1 665 . 1 1 56 56 TRP N N 15 121.406 0.300 . 1 . . . . 56 TRP N . 11092 1 666 . 1 1 56 56 TRP NE1 N 15 126.572 0.300 . 1 . . . . 56 TRP NE1 . 11092 1 667 . 1 1 57 57 ASN H H 1 7.155 0.030 . 1 . . . . 57 ASN H . 11092 1 668 . 1 1 57 57 ASN HA H 1 4.587 0.030 . 1 . . . . 57 ASN HA . 11092 1 669 . 1 1 57 57 ASN HB2 H 1 2.715 0.030 . 2 . . . . 57 ASN HB2 . 11092 1 670 . 1 1 57 57 ASN HB3 H 1 2.571 0.030 . 2 . . . . 57 ASN HB3 . 11092 1 671 . 1 1 57 57 ASN HD21 H 1 6.891 0.030 . 2 . . . . 57 ASN HD21 . 11092 1 672 . 1 1 57 57 ASN HD22 H 1 7.547 0.030 . 2 . . . . 57 ASN HD22 . 11092 1 673 . 1 1 57 57 ASN CA C 13 53.839 0.300 . 1 . . . . 57 ASN CA . 11092 1 674 . 1 1 57 57 ASN CB C 13 38.953 0.300 . 1 . . . . 57 ASN CB . 11092 1 675 . 1 1 57 57 ASN ND2 N 15 113.484 0.300 . 1 . . . . 57 ASN ND2 . 11092 1 676 . 1 1 58 58 LYS HA H 1 4.410 0.030 . 1 . . . . 58 LYS HA . 11092 1 677 . 1 1 58 58 LYS HB2 H 1 1.766 0.030 . 2 . . . . 58 LYS HB2 . 11092 1 678 . 1 1 58 58 LYS HB3 H 1 2.294 0.030 . 2 . . . . 58 LYS HB3 . 11092 1 679 . 1 1 58 58 LYS HD2 H 1 1.550 0.030 . 2 . . . . 58 LYS HD2 . 11092 1 680 . 1 1 58 58 LYS HE2 H 1 2.907 0.030 . 2 . . . . 58 LYS HE2 . 11092 1 681 . 1 1 58 58 LYS HG2 H 1 1.369 0.030 . 2 . . . . 58 LYS HG2 . 11092 1 682 . 1 1 58 58 LYS C C 13 177.271 0.300 . 1 . . . . 58 LYS C . 11092 1 683 . 1 1 58 58 LYS CA C 13 57.728 0.300 . 1 . . . . 58 LYS CA . 11092 1 684 . 1 1 58 58 LYS CB C 13 32.138 0.300 . 1 . . . . 58 LYS CB . 11092 1 685 . 1 1 58 58 LYS CD C 13 29.550 0.300 . 1 . . . . 58 LYS CD . 11092 1 686 . 1 1 58 58 LYS CE C 13 42.049 0.300 . 1 . . . . 58 LYS CE . 11092 1 687 . 1 1 58 58 LYS CG C 13 24.533 0.300 . 1 . . . . 58 LYS CG . 11092 1 688 . 1 1 59 59 ASN H H 1 8.873 0.030 . 1 . . . . 59 ASN H . 11092 1 689 . 1 1 59 59 ASN HA H 1 4.508 0.030 . 1 . . . . 59 ASN HA . 11092 1 690 . 1 1 59 59 ASN HB2 H 1 2.524 0.030 . 1 . . . . 59 ASN HB2 . 11092 1 691 . 1 1 59 59 ASN HB3 H 1 2.524 0.030 . 1 . . . . 59 ASN HB3 . 11092 1 692 . 1 1 59 59 ASN HD21 H 1 7.179 0.030 . 2 . . . . 59 ASN HD21 . 11092 1 693 . 1 1 59 59 ASN HD22 H 1 6.593 0.030 . 2 . . . . 59 ASN HD22 . 11092 1 694 . 1 1 59 59 ASN C C 13 176.005 0.300 . 1 . . . . 59 ASN C . 11092 1 695 . 1 1 59 59 ASN CA C 13 54.921 0.300 . 1 . . . . 59 ASN CA . 11092 1 696 . 1 1 59 59 ASN CB C 13 37.425 0.300 . 1 . . . . 59 ASN CB . 11092 1 697 . 1 1 59 59 ASN N N 15 119.063 0.300 . 1 . . . . 59 ASN N . 11092 1 698 . 1 1 59 59 ASN ND2 N 15 112.181 0.300 . 1 . . . . 59 ASN ND2 . 11092 1 699 . 1 1 60 60 TRP H H 1 7.943 0.030 . 1 . . . . 60 TRP H . 11092 1 700 . 1 1 60 60 TRP HA H 1 4.673 0.030 . 1 . . . . 60 TRP HA . 11092 1 701 . 1 1 60 60 TRP HB2 H 1 3.295 0.030 . 2 . . . . 60 TRP HB2 . 11092 1 702 . 1 1 60 60 TRP HB3 H 1 3.355 0.030 . 2 . . . . 60 TRP HB3 . 11092 1 703 . 1 1 60 60 TRP HD1 H 1 7.148 0.030 . 1 . . . . 60 TRP HD1 . 11092 1 704 . 1 1 60 60 TRP HE1 H 1 9.849 0.030 . 1 . . . . 60 TRP HE1 . 11092 1 705 . 1 1 60 60 TRP HE3 H 1 6.933 0.030 . 1 . . . . 60 TRP HE3 . 11092 1 706 . 1 1 60 60 TRP HH2 H 1 6.890 0.030 . 1 . . . . 60 TRP HH2 . 11092 1 707 . 1 1 60 60 TRP HZ2 H 1 7.172 0.030 . 1 . . . . 60 TRP HZ2 . 11092 1 708 . 1 1 60 60 TRP HZ3 H 1 6.355 0.030 . 1 . . . . 60 TRP HZ3 . 11092 1 709 . 1 1 60 60 TRP C C 13 175.239 0.300 . 1 . . . . 60 TRP C . 11092 1 710 . 1 1 60 60 TRP CA C 13 56.328 0.300 . 1 . . . . 60 TRP CA . 11092 1 711 . 1 1 60 60 TRP CB C 13 30.352 0.300 . 1 . . . . 60 TRP CB . 11092 1 712 . 1 1 60 60 TRP CD1 C 13 126.115 0.300 . 1 . . . . 60 TRP CD1 . 11092 1 713 . 1 1 60 60 TRP CE3 C 13 120.690 0.300 . 1 . . . . 60 TRP CE3 . 11092 1 714 . 1 1 60 60 TRP CH2 C 13 124.362 0.300 . 1 . . . . 60 TRP CH2 . 11092 1 715 . 1 1 60 60 TRP CZ2 C 13 114.003 0.300 . 1 . . . . 60 TRP CZ2 . 11092 1 716 . 1 1 60 60 TRP CZ3 C 13 121.351 0.300 . 1 . . . . 60 TRP CZ3 . 11092 1 717 . 1 1 60 60 TRP N N 15 119.094 0.300 . 1 . . . . 60 TRP N . 11092 1 718 . 1 1 60 60 TRP NE1 N 15 127.390 0.300 . 1 . . . . 60 TRP NE1 . 11092 1 719 . 1 1 61 61 ASP H H 1 7.715 0.030 . 1 . . . . 61 ASP H . 11092 1 720 . 1 1 61 61 ASP HA H 1 4.774 0.030 . 1 . . . . 61 ASP HA . 11092 1 721 . 1 1 61 61 ASP HB2 H 1 2.613 0.030 . 2 . . . . 61 ASP HB2 . 11092 1 722 . 1 1 61 61 ASP HB3 H 1 2.286 0.030 . 2 . . . . 61 ASP HB3 . 11092 1 723 . 1 1 61 61 ASP C C 13 176.825 0.300 . 1 . . . . 61 ASP C . 11092 1 724 . 1 1 61 61 ASP CA C 13 55.730 0.300 . 1 . . . . 61 ASP CA . 11092 1 725 . 1 1 61 61 ASP CB C 13 40.323 0.300 . 1 . . . . 61 ASP CB . 11092 1 726 . 1 1 61 61 ASP N N 15 121.384 0.300 . 1 . . . . 61 ASP N . 11092 1 727 . 1 1 62 62 GLU H H 1 7.521 0.030 . 1 . . . . 62 GLU H . 11092 1 728 . 1 1 62 62 GLU HA H 1 4.817 0.030 . 1 . . . . 62 GLU HA . 11092 1 729 . 1 1 62 62 GLU HB2 H 1 2.273 0.030 . 2 . . . . 62 GLU HB2 . 11092 1 730 . 1 1 62 62 GLU HB3 H 1 2.127 0.030 . 2 . . . . 62 GLU HB3 . 11092 1 731 . 1 1 62 62 GLU HG2 H 1 2.664 0.030 . 2 . . . . 62 GLU HG2 . 11092 1 732 . 1 1 62 62 GLU HG3 H 1 2.215 0.030 . 2 . . . . 62 GLU HG3 . 11092 1 733 . 1 1 62 62 GLU C C 13 174.458 0.300 . 1 . . . . 62 GLU C . 11092 1 734 . 1 1 62 62 GLU CA C 13 54.745 0.300 . 1 . . . . 62 GLU CA . 11092 1 735 . 1 1 62 62 GLU CB C 13 32.263 0.300 . 1 . . . . 62 GLU CB . 11092 1 736 . 1 1 62 62 GLU CG C 13 34.248 0.300 . 1 . . . . 62 GLU CG . 11092 1 737 . 1 1 62 62 GLU N N 15 117.205 0.300 . 1 . . . . 62 GLU N . 11092 1 738 . 1 1 63 63 TRP H H 1 8.874 0.030 . 1 . . . . 63 TRP H . 11092 1 739 . 1 1 63 63 TRP HA H 1 5.513 0.030 . 1 . . . . 63 TRP HA . 11092 1 740 . 1 1 63 63 TRP HB2 H 1 2.953 0.030 . 2 . . . . 63 TRP HB2 . 11092 1 741 . 1 1 63 63 TRP HB3 H 1 3.296 0.030 . 2 . . . . 63 TRP HB3 . 11092 1 742 . 1 1 63 63 TRP HD1 H 1 7.546 0.030 . 1 . . . . 63 TRP HD1 . 11092 1 743 . 1 1 63 63 TRP HE1 H 1 10.103 0.030 . 1 . . . . 63 TRP HE1 . 11092 1 744 . 1 1 63 63 TRP HE3 H 1 7.296 0.030 . 1 . . . . 63 TRP HE3 . 11092 1 745 . 1 1 63 63 TRP HH2 H 1 6.872 0.030 . 1 . . . . 63 TRP HH2 . 11092 1 746 . 1 1 63 63 TRP HZ2 H 1 7.244 0.030 . 1 . . . . 63 TRP HZ2 . 11092 1 747 . 1 1 63 63 TRP HZ3 H 1 6.803 0.030 . 1 . . . . 63 TRP HZ3 . 11092 1 748 . 1 1 63 63 TRP C C 13 177.683 0.300 . 1 . . . . 63 TRP C . 11092 1 749 . 1 1 63 63 TRP CA C 13 56.785 0.300 . 1 . . . . 63 TRP CA . 11092 1 750 . 1 1 63 63 TRP CB C 13 30.335 0.300 . 1 . . . . 63 TRP CB . 11092 1 751 . 1 1 63 63 TRP CD1 C 13 128.166 0.300 . 1 . . . . 63 TRP CD1 . 11092 1 752 . 1 1 63 63 TRP CE3 C 13 120.443 0.300 . 1 . . . . 63 TRP CE3 . 11092 1 753 . 1 1 63 63 TRP CH2 C 13 124.357 0.300 . 1 . . . . 63 TRP CH2 . 11092 1 754 . 1 1 63 63 TRP CZ2 C 13 114.837 0.300 . 1 . . . . 63 TRP CZ2 . 11092 1 755 . 1 1 63 63 TRP CZ3 C 13 122.828 0.300 . 1 . . . . 63 TRP CZ3 . 11092 1 756 . 1 1 63 63 TRP N N 15 121.410 0.300 . 1 . . . . 63 TRP N . 11092 1 757 . 1 1 63 63 TRP NE1 N 15 130.952 0.300 . 1 . . . . 63 TRP NE1 . 11092 1 758 . 1 1 64 64 VAL H H 1 10.066 0.030 . 1 . . . . 64 VAL H . 11092 1 759 . 1 1 64 64 VAL HA H 1 5.133 0.030 . 1 . . . . 64 VAL HA . 11092 1 760 . 1 1 64 64 VAL HB H 1 2.166 0.030 . 1 . . . . 64 VAL HB . 11092 1 761 . 1 1 64 64 VAL HG11 H 1 0.992 0.030 . 1 . . . . 64 VAL HG1 . 11092 1 762 . 1 1 64 64 VAL HG12 H 1 0.992 0.030 . 1 . . . . 64 VAL HG1 . 11092 1 763 . 1 1 64 64 VAL HG13 H 1 0.992 0.030 . 1 . . . . 64 VAL HG1 . 11092 1 764 . 1 1 64 64 VAL HG21 H 1 0.987 0.030 . 1 . . . . 64 VAL HG2 . 11092 1 765 . 1 1 64 64 VAL HG22 H 1 0.987 0.030 . 1 . . . . 64 VAL HG2 . 11092 1 766 . 1 1 64 64 VAL HG23 H 1 0.987 0.030 . 1 . . . . 64 VAL HG2 . 11092 1 767 . 1 1 64 64 VAL C C 13 173.184 0.300 . 1 . . . . 64 VAL C . 11092 1 768 . 1 1 64 64 VAL CA C 13 57.775 0.300 . 1 . . . . 64 VAL CA . 11092 1 769 . 1 1 64 64 VAL CB C 13 34.335 0.300 . 1 . . . . 64 VAL CB . 11092 1 770 . 1 1 64 64 VAL CG1 C 13 21.597 0.300 . 2 . . . . 64 VAL CG1 . 11092 1 771 . 1 1 64 64 VAL CG2 C 13 20.622 0.300 . 2 . . . . 64 VAL CG2 . 11092 1 772 . 1 1 64 64 VAL N N 15 119.495 0.300 . 1 . . . . 64 VAL N . 11092 1 773 . 1 1 65 65 PRO HA H 1 5.020 0.030 . 1 . . . . 65 PRO HA . 11092 1 774 . 1 1 65 65 PRO HB2 H 1 2.489 0.030 . 2 . . . . 65 PRO HB2 . 11092 1 775 . 1 1 65 65 PRO HB3 H 1 2.381 0.030 . 2 . . . . 65 PRO HB3 . 11092 1 776 . 1 1 65 65 PRO HD2 H 1 3.806 0.030 . 2 . . . . 65 PRO HD2 . 11092 1 777 . 1 1 65 65 PRO HD3 H 1 3.945 0.030 . 2 . . . . 65 PRO HD3 . 11092 1 778 . 1 1 65 65 PRO HG2 H 1 2.168 0.030 . 2 . . . . 65 PRO HG2 . 11092 1 779 . 1 1 65 65 PRO HG3 H 1 2.085 0.030 . 2 . . . . 65 PRO HG3 . 11092 1 780 . 1 1 65 65 PRO C C 13 177.197 0.300 . 1 . . . . 65 PRO C . 11092 1 781 . 1 1 65 65 PRO CA C 13 62.098 0.300 . 1 . . . . 65 PRO CA . 11092 1 782 . 1 1 65 65 PRO CB C 13 32.677 0.300 . 1 . . . . 65 PRO CB . 11092 1 783 . 1 1 65 65 PRO CD C 13 50.667 0.300 . 1 . . . . 65 PRO CD . 11092 1 784 . 1 1 65 65 PRO CG C 13 27.247 0.300 . 1 . . . . 65 PRO CG . 11092 1 785 . 1 1 66 66 GLU H H 1 8.260 0.030 . 1 . . . . 66 GLU H . 11092 1 786 . 1 1 66 66 GLU HA H 1 4.165 0.030 . 1 . . . . 66 GLU HA . 11092 1 787 . 1 1 66 66 GLU HB2 H 1 2.513 0.030 . 2 . . . . 66 GLU HB2 . 11092 1 788 . 1 1 66 66 GLU HB3 H 1 2.400 0.030 . 2 . . . . 66 GLU HB3 . 11092 1 789 . 1 1 66 66 GLU HG2 H 1 2.685 0.030 . 1 . . . . 66 GLU HG2 . 11092 1 790 . 1 1 66 66 GLU HG3 H 1 2.685 0.030 . 1 . . . . 66 GLU HG3 . 11092 1 791 . 1 1 66 66 GLU C C 13 176.360 0.300 . 1 . . . . 66 GLU C . 11092 1 792 . 1 1 66 66 GLU CA C 13 60.366 0.300 . 1 . . . . 66 GLU CA . 11092 1 793 . 1 1 66 66 GLU CB C 13 31.446 0.300 . 1 . . . . 66 GLU CB . 11092 1 794 . 1 1 66 66 GLU CG C 13 39.201 0.300 . 1 . . . . 66 GLU CG . 11092 1 795 . 1 1 66 66 GLU N N 15 120.440 0.300 . 1 . . . . 66 GLU N . 11092 1 796 . 1 1 67 67 SER H H 1 8.275 0.030 . 1 . . . . 67 SER H . 11092 1 797 . 1 1 67 67 SER HA H 1 4.384 0.030 . 1 . . . . 67 SER HA . 11092 1 798 . 1 1 67 67 SER HB2 H 1 4.069 0.030 . 1 . . . . 67 SER HB2 . 11092 1 799 . 1 1 67 67 SER HB3 H 1 4.069 0.030 . 1 . . . . 67 SER HB3 . 11092 1 800 . 1 1 67 67 SER C C 13 176.185 0.300 . 1 . . . . 67 SER C . 11092 1 801 . 1 1 67 67 SER CA C 13 60.339 0.300 . 1 . . . . 67 SER CA . 11092 1 802 . 1 1 67 67 SER CB C 13 62.525 0.300 . 1 . . . . 67 SER CB . 11092 1 803 . 1 1 67 67 SER N N 15 109.774 0.300 . 1 . . . . 67 SER N . 11092 1 804 . 1 1 68 68 ARG H H 1 7.942 0.030 . 1 . . . . 68 ARG H . 11092 1 805 . 1 1 68 68 ARG HA H 1 4.595 0.030 . 1 . . . . 68 ARG HA . 11092 1 806 . 1 1 68 68 ARG HB2 H 1 2.637 0.030 . 2 . . . . 68 ARG HB2 . 11092 1 807 . 1 1 68 68 ARG HB3 H 1 1.845 0.030 . 2 . . . . 68 ARG HB3 . 11092 1 808 . 1 1 68 68 ARG HD2 H 1 3.255 0.030 . 2 . . . . 68 ARG HD2 . 11092 1 809 . 1 1 68 68 ARG HD3 H 1 3.315 0.030 . 2 . . . . 68 ARG HD3 . 11092 1 810 . 1 1 68 68 ARG HG2 H 1 1.968 0.030 . 2 . . . . 68 ARG HG2 . 11092 1 811 . 1 1 68 68 ARG HG3 H 1 1.845 0.030 . 2 . . . . 68 ARG HG3 . 11092 1 812 . 1 1 68 68 ARG C C 13 172.771 0.300 . 1 . . . . 68 ARG C . 11092 1 813 . 1 1 68 68 ARG CA C 13 56.785 0.300 . 1 . . . . 68 ARG CA . 11092 1 814 . 1 1 68 68 ARG CB C 13 31.221 0.300 . 1 . . . . 68 ARG CB . 11092 1 815 . 1 1 68 68 ARG CD C 13 43.612 0.300 . 1 . . . . 68 ARG CD . 11092 1 816 . 1 1 68 68 ARG CG C 13 27.987 0.300 . 1 . . . . 68 ARG CG . 11092 1 817 . 1 1 68 68 ARG N N 15 121.521 0.300 . 1 . . . . 68 ARG N . 11092 1 818 . 1 1 69 69 VAL H H 1 7.788 0.030 . 1 . . . . 69 VAL H . 11092 1 819 . 1 1 69 69 VAL HA H 1 4.217 0.030 . 1 . . . . 69 VAL HA . 11092 1 820 . 1 1 69 69 VAL HB H 1 1.510 0.030 . 1 . . . . 69 VAL HB . 11092 1 821 . 1 1 69 69 VAL HG11 H 1 -0.495 0.030 . 1 . . . . 69 VAL HG1 . 11092 1 822 . 1 1 69 69 VAL HG12 H 1 -0.495 0.030 . 1 . . . . 69 VAL HG1 . 11092 1 823 . 1 1 69 69 VAL HG13 H 1 -0.495 0.030 . 1 . . . . 69 VAL HG1 . 11092 1 824 . 1 1 69 69 VAL HG21 H 1 0.563 0.030 . 1 . . . . 69 VAL HG2 . 11092 1 825 . 1 1 69 69 VAL HG22 H 1 0.563 0.030 . 1 . . . . 69 VAL HG2 . 11092 1 826 . 1 1 69 69 VAL HG23 H 1 0.563 0.030 . 1 . . . . 69 VAL HG2 . 11092 1 827 . 1 1 69 69 VAL C C 13 173.213 0.300 . 1 . . . . 69 VAL C . 11092 1 828 . 1 1 69 69 VAL CA C 13 62.025 0.300 . 1 . . . . 69 VAL CA . 11092 1 829 . 1 1 69 69 VAL CB C 13 32.672 0.300 . 1 . . . . 69 VAL CB . 11092 1 830 . 1 1 69 69 VAL CG1 C 13 21.251 0.300 . 2 . . . . 69 VAL CG1 . 11092 1 831 . 1 1 69 69 VAL CG2 C 13 22.699 0.300 . 2 . . . . 69 VAL CG2 . 11092 1 832 . 1 1 69 69 VAL N N 15 119.315 0.300 . 1 . . . . 69 VAL N . 11092 1 833 . 1 1 70 70 LEU H H 1 8.970 0.030 . 1 . . . . 70 LEU H . 11092 1 834 . 1 1 70 70 LEU HA H 1 4.952 0.030 . 1 . . . . 70 LEU HA . 11092 1 835 . 1 1 70 70 LEU HB2 H 1 1.609 0.030 . 2 . . . . 70 LEU HB2 . 11092 1 836 . 1 1 70 70 LEU HB3 H 1 1.303 0.030 . 2 . . . . 70 LEU HB3 . 11092 1 837 . 1 1 70 70 LEU HD11 H 1 0.702 0.030 . 1 . . . . 70 LEU HD1 . 11092 1 838 . 1 1 70 70 LEU HD12 H 1 0.702 0.030 . 1 . . . . 70 LEU HD1 . 11092 1 839 . 1 1 70 70 LEU HD13 H 1 0.702 0.030 . 1 . . . . 70 LEU HD1 . 11092 1 840 . 1 1 70 70 LEU HD21 H 1 0.928 0.030 . 1 . . . . 70 LEU HD2 . 11092 1 841 . 1 1 70 70 LEU HD22 H 1 0.928 0.030 . 1 . . . . 70 LEU HD2 . 11092 1 842 . 1 1 70 70 LEU HD23 H 1 0.928 0.030 . 1 . . . . 70 LEU HD2 . 11092 1 843 . 1 1 70 70 LEU HG H 1 1.518 0.030 . 1 . . . . 70 LEU HG . 11092 1 844 . 1 1 70 70 LEU C C 13 176.409 0.300 . 1 . . . . 70 LEU C . 11092 1 845 . 1 1 70 70 LEU CA C 13 53.056 0.300 . 1 . . . . 70 LEU CA . 11092 1 846 . 1 1 70 70 LEU CB C 13 46.126 0.300 . 1 . . . . 70 LEU CB . 11092 1 847 . 1 1 70 70 LEU CD1 C 13 25.931 0.300 . 2 . . . . 70 LEU CD1 . 11092 1 848 . 1 1 70 70 LEU CD2 C 13 23.802 0.300 . 2 . . . . 70 LEU CD2 . 11092 1 849 . 1 1 70 70 LEU CG C 13 27.411 0.300 . 1 . . . . 70 LEU CG . 11092 1 850 . 1 1 70 70 LEU N N 15 124.407 0.300 . 1 . . . . 70 LEU N . 11092 1 851 . 1 1 71 71 LYS H H 1 8.539 0.030 . 1 . . . . 71 LYS H . 11092 1 852 . 1 1 71 71 LYS HA H 1 4.613 0.030 . 1 . . . . 71 LYS HA . 11092 1 853 . 1 1 71 71 LYS HB2 H 1 1.663 0.030 . 2 . . . . 71 LYS HB2 . 11092 1 854 . 1 1 71 71 LYS HB3 H 1 1.913 0.030 . 2 . . . . 71 LYS HB3 . 11092 1 855 . 1 1 71 71 LYS HD2 H 1 1.929 0.030 . 2 . . . . 71 LYS HD2 . 11092 1 856 . 1 1 71 71 LYS HD3 H 1 1.716 0.030 . 2 . . . . 71 LYS HD3 . 11092 1 857 . 1 1 71 71 LYS HE2 H 1 2.135 0.030 . 2 . . . . 71 LYS HE2 . 11092 1 858 . 1 1 71 71 LYS HE3 H 1 2.725 0.030 . 2 . . . . 71 LYS HE3 . 11092 1 859 . 1 1 71 71 LYS HG2 H 1 1.416 0.030 . 2 . . . . 71 LYS HG2 . 11092 1 860 . 1 1 71 71 LYS HG3 H 1 1.625 0.030 . 2 . . . . 71 LYS HG3 . 11092 1 861 . 1 1 71 71 LYS C C 13 177.454 0.300 . 1 . . . . 71 LYS C . 11092 1 862 . 1 1 71 71 LYS CA C 13 55.132 0.300 . 1 . . . . 71 LYS CA . 11092 1 863 . 1 1 71 71 LYS CB C 13 33.941 0.300 . 1 . . . . 71 LYS CB . 11092 1 864 . 1 1 71 71 LYS CD C 13 29.138 0.300 . 1 . . . . 71 LYS CD . 11092 1 865 . 1 1 71 71 LYS CE C 13 41.636 0.300 . 1 . . . . 71 LYS CE . 11092 1 866 . 1 1 71 71 LYS CG C 13 24.451 0.300 . 1 . . . . 71 LYS CG . 11092 1 867 . 1 1 71 71 LYS N N 15 118.391 0.300 . 1 . . . . 71 LYS N . 11092 1 868 . 1 1 72 72 TYR H H 1 9.083 0.030 . 1 . . . . 72 TYR H . 11092 1 869 . 1 1 72 72 TYR HA H 1 4.064 0.030 . 1 . . . . 72 TYR HA . 11092 1 870 . 1 1 72 72 TYR HB2 H 1 3.444 0.030 . 2 . . . . 72 TYR HB2 . 11092 1 871 . 1 1 72 72 TYR HB3 H 1 2.425 0.030 . 2 . . . . 72 TYR HB3 . 11092 1 872 . 1 1 72 72 TYR HD1 H 1 6.846 0.030 . 1 . . . . 72 TYR HD1 . 11092 1 873 . 1 1 72 72 TYR HD2 H 1 6.846 0.030 . 1 . . . . 72 TYR HD2 . 11092 1 874 . 1 1 72 72 TYR HE1 H 1 6.615 0.030 . 1 . . . . 72 TYR HE1 . 11092 1 875 . 1 1 72 72 TYR HE2 H 1 6.615 0.030 . 1 . . . . 72 TYR HE2 . 11092 1 876 . 1 1 72 72 TYR C C 13 173.195 0.300 . 1 . . . . 72 TYR C . 11092 1 877 . 1 1 72 72 TYR CA C 13 58.932 0.300 . 1 . . . . 72 TYR CA . 11092 1 878 . 1 1 72 72 TYR CB C 13 37.526 0.300 . 1 . . . . 72 TYR CB . 11092 1 879 . 1 1 72 72 TYR CD1 C 13 132.859 0.300 . 1 . . . . 72 TYR CD1 . 11092 1 880 . 1 1 72 72 TYR CD2 C 13 132.859 0.300 . 1 . . . . 72 TYR CD2 . 11092 1 881 . 1 1 72 72 TYR CE1 C 13 118.293 0.300 . 1 . . . . 72 TYR CE1 . 11092 1 882 . 1 1 72 72 TYR CE2 C 13 118.293 0.300 . 1 . . . . 72 TYR CE2 . 11092 1 883 . 1 1 72 72 TYR N N 15 125.851 0.300 . 1 . . . . 72 TYR N . 11092 1 884 . 1 1 73 73 VAL H H 1 7.160 0.030 . 1 . . . . 73 VAL H . 11092 1 885 . 1 1 73 73 VAL HA H 1 4.749 0.030 . 1 . . . . 73 VAL HA . 11092 1 886 . 1 1 73 73 VAL HB H 1 2.379 0.030 . 1 . . . . 73 VAL HB . 11092 1 887 . 1 1 73 73 VAL HG11 H 1 0.943 0.030 . 1 . . . . 73 VAL HG1 . 11092 1 888 . 1 1 73 73 VAL HG12 H 1 0.943 0.030 . 1 . . . . 73 VAL HG1 . 11092 1 889 . 1 1 73 73 VAL HG13 H 1 0.943 0.030 . 1 . . . . 73 VAL HG1 . 11092 1 890 . 1 1 73 73 VAL HG21 H 1 0.841 0.030 . 1 . . . . 73 VAL HG2 . 11092 1 891 . 1 1 73 73 VAL HG22 H 1 0.841 0.030 . 1 . . . . 73 VAL HG2 . 11092 1 892 . 1 1 73 73 VAL HG23 H 1 0.841 0.030 . 1 . . . . 73 VAL HG2 . 11092 1 893 . 1 1 73 73 VAL C C 13 176.358 0.300 . 1 . . . . 73 VAL C . 11092 1 894 . 1 1 73 73 VAL CA C 13 58.932 0.300 . 1 . . . . 73 VAL CA . 11092 1 895 . 1 1 73 73 VAL CB C 13 35.922 0.300 . 1 . . . . 73 VAL CB . 11092 1 896 . 1 1 73 73 VAL CG1 C 13 22.122 0.300 . 2 . . . . 73 VAL CG1 . 11092 1 897 . 1 1 73 73 VAL CG2 C 13 19.071 0.300 . 2 . . . . 73 VAL CG2 . 11092 1 898 . 1 1 73 73 VAL N N 15 118.912 0.300 . 1 . . . . 73 VAL N . 11092 1 899 . 1 1 74 74 ASP HA H 1 4.234 0.030 . 1 . . . . 74 ASP HA . 11092 1 900 . 1 1 74 74 ASP HB2 H 1 2.705 0.030 . 1 . . . . 74 ASP HB2 . 11092 1 901 . 1 1 74 74 ASP HB3 H 1 2.705 0.030 . 1 . . . . 74 ASP HB3 . 11092 1 902 . 1 1 74 74 ASP CA C 13 58.708 0.300 . 1 . . . . 74 ASP CA . 11092 1 903 . 1 1 74 74 ASP CB C 13 40.238 0.300 . 1 . . . . 74 ASP CB . 11092 1 904 . 1 1 75 75 THR HA H 1 3.976 0.030 . 1 . . . . 75 THR HA . 11092 1 905 . 1 1 75 75 THR HB H 1 3.988 0.030 . 1 . . . . 75 THR HB . 11092 1 906 . 1 1 75 75 THR HG21 H 1 1.224 0.030 . 1 . . . . 75 THR HG2 . 11092 1 907 . 1 1 75 75 THR HG22 H 1 1.224 0.030 . 1 . . . . 75 THR HG2 . 11092 1 908 . 1 1 75 75 THR HG23 H 1 1.224 0.030 . 1 . . . . 75 THR HG2 . 11092 1 909 . 1 1 75 75 THR C C 13 176.848 0.300 . 1 . . . . 75 THR C . 11092 1 910 . 1 1 75 75 THR CA C 13 65.793 0.300 . 1 . . . . 75 THR CA . 11092 1 911 . 1 1 75 75 THR CB C 13 68.468 0.300 . 1 . . . . 75 THR CB . 11092 1 912 . 1 1 75 75 THR CG2 C 13 22.093 0.300 . 1 . . . . 75 THR CG2 . 11092 1 913 . 1 1 76 76 ASN H H 1 7.161 0.030 . 1 . . . . 76 ASN H . 11092 1 914 . 1 1 76 76 ASN HA H 1 4.775 0.030 . 1 . . . . 76 ASN HA . 11092 1 915 . 1 1 76 76 ASN HB2 H 1 2.444 0.030 . 2 . . . . 76 ASN HB2 . 11092 1 916 . 1 1 76 76 ASN HB3 H 1 2.782 0.030 . 2 . . . . 76 ASN HB3 . 11092 1 917 . 1 1 76 76 ASN HD21 H 1 7.292 0.030 . 2 . . . . 76 ASN HD21 . 11092 1 918 . 1 1 76 76 ASN HD22 H 1 8.935 0.030 . 2 . . . . 76 ASN HD22 . 11092 1 919 . 1 1 76 76 ASN C C 13 176.742 0.300 . 1 . . . . 76 ASN C . 11092 1 920 . 1 1 76 76 ASN CA C 13 54.428 0.300 . 1 . . . . 76 ASN CA . 11092 1 921 . 1 1 76 76 ASN CB C 13 38.595 0.300 . 1 . . . . 76 ASN CB . 11092 1 922 . 1 1 76 76 ASN N N 15 119.353 0.300 . 1 . . . . 76 ASN N . 11092 1 923 . 1 1 76 76 ASN ND2 N 15 116.825 0.300 . 1 . . . . 76 ASN ND2 . 11092 1 924 . 1 1 77 77 LEU H H 1 7.962 0.030 . 1 . . . . 77 LEU H . 11092 1 925 . 1 1 77 77 LEU HA H 1 3.935 0.030 . 1 . . . . 77 LEU HA . 11092 1 926 . 1 1 77 77 LEU HB2 H 1 1.362 0.030 . 2 . . . . 77 LEU HB2 . 11092 1 927 . 1 1 77 77 LEU HB3 H 1 1.786 0.030 . 2 . . . . 77 LEU HB3 . 11092 1 928 . 1 1 77 77 LEU HD11 H 1 0.482 0.030 . 1 . . . . 77 LEU HD1 . 11092 1 929 . 1 1 77 77 LEU HD12 H 1 0.482 0.030 . 1 . . . . 77 LEU HD1 . 11092 1 930 . 1 1 77 77 LEU HD13 H 1 0.482 0.030 . 1 . . . . 77 LEU HD1 . 11092 1 931 . 1 1 77 77 LEU HD21 H 1 0.445 0.030 . 1 . . . . 77 LEU HD2 . 11092 1 932 . 1 1 77 77 LEU HD22 H 1 0.445 0.030 . 1 . . . . 77 LEU HD2 . 11092 1 933 . 1 1 77 77 LEU HD23 H 1 0.445 0.030 . 1 . . . . 77 LEU HD2 . 11092 1 934 . 1 1 77 77 LEU HG H 1 1.022 0.030 . 1 . . . . 77 LEU HG . 11092 1 935 . 1 1 77 77 LEU C C 13 179.943 0.300 . 1 . . . . 77 LEU C . 11092 1 936 . 1 1 77 77 LEU CA C 13 57.771 0.300 . 1 . . . . 77 LEU CA . 11092 1 937 . 1 1 77 77 LEU CB C 13 40.973 0.300 . 1 . . . . 77 LEU CB . 11092 1 938 . 1 1 77 77 LEU CD1 C 13 24.533 0.300 . 2 . . . . 77 LEU CD1 . 11092 1 939 . 1 1 77 77 LEU CD2 C 13 22.446 0.300 . 2 . . . . 77 LEU CD2 . 11092 1 940 . 1 1 77 77 LEU CG C 13 27.247 0.300 . 1 . . . . 77 LEU CG . 11092 1 941 . 1 1 77 77 LEU N N 15 125.132 0.300 . 1 . . . . 77 LEU N . 11092 1 942 . 1 1 78 78 GLN H H 1 8.114 0.030 . 1 . . . . 78 GLN H . 11092 1 943 . 1 1 78 78 GLN HA H 1 3.985 0.030 . 1 . . . . 78 GLN HA . 11092 1 944 . 1 1 78 78 GLN HB2 H 1 2.093 0.030 . 1 . . . . 78 GLN HB2 . 11092 1 945 . 1 1 78 78 GLN HB3 H 1 2.093 0.030 . 1 . . . . 78 GLN HB3 . 11092 1 946 . 1 1 78 78 GLN HE21 H 1 7.684 0.030 . 2 . . . . 78 GLN HE21 . 11092 1 947 . 1 1 78 78 GLN HE22 H 1 6.816 0.030 . 2 . . . . 78 GLN HE22 . 11092 1 948 . 1 1 78 78 GLN HG2 H 1 2.374 0.030 . 1 . . . . 78 GLN HG2 . 11092 1 949 . 1 1 78 78 GLN HG3 H 1 2.374 0.030 . 1 . . . . 78 GLN HG3 . 11092 1 950 . 1 1 78 78 GLN C C 13 178.368 0.300 . 1 . . . . 78 GLN C . 11092 1 951 . 1 1 78 78 GLN CA C 13 59.002 0.300 . 1 . . . . 78 GLN CA . 11092 1 952 . 1 1 78 78 GLN CB C 13 27.247 0.300 . 1 . . . . 78 GLN CB . 11092 1 953 . 1 1 78 78 GLN CG C 13 33.250 0.300 . 1 . . . . 78 GLN CG . 11092 1 954 . 1 1 78 78 GLN N N 15 119.999 0.300 . 1 . . . . 78 GLN N . 11092 1 955 . 1 1 78 78 GLN NE2 N 15 112.485 0.300 . 1 . . . . 78 GLN NE2 . 11092 1 956 . 1 1 79 79 LYS H H 1 7.148 0.030 . 1 . . . . 79 LYS H . 11092 1 957 . 1 1 79 79 LYS HA H 1 4.085 0.030 . 1 . . . . 79 LYS HA . 11092 1 958 . 1 1 79 79 LYS HB2 H 1 1.945 0.030 . 2 . . . . 79 LYS HB2 . 11092 1 959 . 1 1 79 79 LYS HB3 H 1 1.895 0.030 . 2 . . . . 79 LYS HB3 . 11092 1 960 . 1 1 79 79 LYS HD2 H 1 1.705 0.030 . 2 . . . . 79 LYS HD2 . 11092 1 961 . 1 1 79 79 LYS HD3 H 1 1.736 0.030 . 2 . . . . 79 LYS HD3 . 11092 1 962 . 1 1 79 79 LYS HE2 H 1 2.954 0.030 . 2 . . . . 79 LYS HE2 . 11092 1 963 . 1 1 79 79 LYS HE3 H 1 3.057 0.030 . 2 . . . . 79 LYS HE3 . 11092 1 964 . 1 1 79 79 LYS HG2 H 1 1.433 0.030 . 2 . . . . 79 LYS HG2 . 11092 1 965 . 1 1 79 79 LYS HG3 H 1 1.561 0.030 . 2 . . . . 79 LYS HG3 . 11092 1 966 . 1 1 79 79 LYS C C 13 177.897 0.300 . 1 . . . . 79 LYS C . 11092 1 967 . 1 1 79 79 LYS CA C 13 58.932 0.300 . 1 . . . . 79 LYS CA . 11092 1 968 . 1 1 79 79 LYS CB C 13 31.441 0.300 . 1 . . . . 79 LYS CB . 11092 1 969 . 1 1 79 79 LYS CD C 13 28.645 0.300 . 1 . . . . 79 LYS CD . 11092 1 970 . 1 1 79 79 LYS CE C 13 41.866 0.300 . 1 . . . . 79 LYS CE . 11092 1 971 . 1 1 79 79 LYS CG C 13 24.287 0.300 . 1 . . . . 79 LYS CG . 11092 1 972 . 1 1 79 79 LYS N N 15 120.371 0.300 . 1 . . . . 79 LYS N . 11092 1 973 . 1 1 80 80 GLN H H 1 8.137 0.030 . 1 . . . . 80 GLN H . 11092 1 974 . 1 1 80 80 GLN HA H 1 3.773 0.030 . 1 . . . . 80 GLN HA . 11092 1 975 . 1 1 80 80 GLN HB2 H 1 2.615 0.030 . 2 . . . . 80 GLN HB2 . 11092 1 976 . 1 1 80 80 GLN HB3 H 1 1.595 0.030 . 2 . . . . 80 GLN HB3 . 11092 1 977 . 1 1 80 80 GLN HE21 H 1 6.708 0.030 . 2 . . . . 80 GLN HE21 . 11092 1 978 . 1 1 80 80 GLN HE22 H 1 7.301 0.030 . 2 . . . . 80 GLN HE22 . 11092 1 979 . 1 1 80 80 GLN HG2 H 1 1.904 0.030 . 2 . . . . 80 GLN HG2 . 11092 1 980 . 1 1 80 80 GLN HG3 H 1 2.347 0.030 . 2 . . . . 80 GLN HG3 . 11092 1 981 . 1 1 80 80 GLN C C 13 178.385 0.300 . 1 . . . . 80 GLN C . 11092 1 982 . 1 1 80 80 GLN CA C 13 59.389 0.300 . 1 . . . . 80 GLN CA . 11092 1 983 . 1 1 80 80 GLN CB C 13 27.911 0.300 . 1 . . . . 80 GLN CB . 11092 1 984 . 1 1 80 80 GLN CG C 13 32.757 0.300 . 1 . . . . 80 GLN CG . 11092 1 985 . 1 1 80 80 GLN N N 15 118.481 0.300 . 1 . . . . 80 GLN N . 11092 1 986 . 1 1 80 80 GLN NE2 N 15 109.701 0.300 . 1 . . . . 80 GLN NE2 . 11092 1 987 . 1 1 81 81 ARG H H 1 7.767 0.030 . 1 . . . . 81 ARG H . 11092 1 988 . 1 1 81 81 ARG HA H 1 3.985 0.030 . 1 . . . . 81 ARG HA . 11092 1 989 . 1 1 81 81 ARG HB2 H 1 1.885 0.030 . 2 . . . . 81 ARG HB2 . 11092 1 990 . 1 1 81 81 ARG HB3 H 1 1.954 0.030 . 2 . . . . 81 ARG HB3 . 11092 1 991 . 1 1 81 81 ARG HD2 H 1 3.155 0.030 . 2 . . . . 81 ARG HD2 . 11092 1 992 . 1 1 81 81 ARG HD3 H 1 3.238 0.030 . 2 . . . . 81 ARG HD3 . 11092 1 993 . 1 1 81 81 ARG HG2 H 1 1.795 0.030 . 2 . . . . 81 ARG HG2 . 11092 1 994 . 1 1 81 81 ARG HG3 H 1 1.594 0.030 . 2 . . . . 81 ARG HG3 . 11092 1 995 . 1 1 81 81 ARG C C 13 178.903 0.300 . 1 . . . . 81 ARG C . 11092 1 996 . 1 1 81 81 ARG CA C 13 59.319 0.300 . 1 . . . . 81 ARG CA . 11092 1 997 . 1 1 81 81 ARG CB C 13 30.058 0.300 . 1 . . . . 81 ARG CB . 11092 1 998 . 1 1 81 81 ARG CD C 13 43.447 0.300 . 1 . . . . 81 ARG CD . 11092 1 999 . 1 1 81 81 ARG CG C 13 27.823 0.300 . 1 . . . . 81 ARG CG . 11092 1 1000 . 1 1 81 81 ARG N N 15 119.858 0.300 . 1 . . . . 81 ARG N . 11092 1 1001 . 1 1 82 82 GLU H H 1 8.205 0.030 . 1 . . . . 82 GLU H . 11092 1 1002 . 1 1 82 82 GLU HA H 1 3.980 0.030 . 1 . . . . 82 GLU HA . 11092 1 1003 . 1 1 82 82 GLU HB2 H 1 2.197 0.030 . 2 . . . . 82 GLU HB2 . 11092 1 1004 . 1 1 82 82 GLU HB3 H 1 2.102 0.030 . 2 . . . . 82 GLU HB3 . 11092 1 1005 . 1 1 82 82 GLU HG2 H 1 2.442 0.030 . 2 . . . . 82 GLU HG2 . 11092 1 1006 . 1 1 82 82 GLU HG3 H 1 2.270 0.030 . 2 . . . . 82 GLU HG3 . 11092 1 1007 . 1 1 82 82 GLU C C 13 180.259 0.300 . 1 . . . . 82 GLU C . 11092 1 1008 . 1 1 82 82 GLU CA C 13 59.424 0.300 . 1 . . . . 82 GLU CA . 11092 1 1009 . 1 1 82 82 GLU CB C 13 29.385 0.300 . 1 . . . . 82 GLU CB . 11092 1 1010 . 1 1 82 82 GLU CG C 13 36.210 0.300 . 1 . . . . 82 GLU CG . 11092 1 1011 . 1 1 82 82 GLU N N 15 121.025 0.300 . 1 . . . . 82 GLU N . 11092 1 1012 . 1 1 83 83 LEU H H 1 8.497 0.030 . 1 . . . . 83 LEU H . 11092 1 1013 . 1 1 83 83 LEU HA H 1 4.101 0.030 . 1 . . . . 83 LEU HA . 11092 1 1014 . 1 1 83 83 LEU HB2 H 1 2.005 0.030 . 2 . . . . 83 LEU HB2 . 11092 1 1015 . 1 1 83 83 LEU HB3 H 1 1.549 0.030 . 2 . . . . 83 LEU HB3 . 11092 1 1016 . 1 1 83 83 LEU HD11 H 1 1.053 0.030 . 1 . . . . 83 LEU HD1 . 11092 1 1017 . 1 1 83 83 LEU HD12 H 1 1.053 0.030 . 1 . . . . 83 LEU HD1 . 11092 1 1018 . 1 1 83 83 LEU HD13 H 1 1.053 0.030 . 1 . . . . 83 LEU HD1 . 11092 1 1019 . 1 1 83 83 LEU HD21 H 1 0.985 0.030 . 1 . . . . 83 LEU HD2 . 11092 1 1020 . 1 1 83 83 LEU HD22 H 1 0.985 0.030 . 1 . . . . 83 LEU HD2 . 11092 1 1021 . 1 1 83 83 LEU HD23 H 1 0.985 0.030 . 1 . . . . 83 LEU HD2 . 11092 1 1022 . 1 1 83 83 LEU HG H 1 1.913 0.030 . 1 . . . . 83 LEU HG . 11092 1 1023 . 1 1 83 83 LEU C C 13 179.922 0.300 . 1 . . . . 83 LEU C . 11092 1 1024 . 1 1 83 83 LEU CA C 13 57.806 0.300 . 1 . . . . 83 LEU CA . 11092 1 1025 . 1 1 83 83 LEU CB C 13 42.171 0.300 . 1 . . . . 83 LEU CB . 11092 1 1026 . 1 1 83 83 LEU CD1 C 13 26.137 0.300 . 2 . . . . 83 LEU CD1 . 11092 1 1027 . 1 1 83 83 LEU CD2 C 13 22.313 0.300 . 2 . . . . 83 LEU CD2 . 11092 1 1028 . 1 1 83 83 LEU CG C 13 26.886 0.300 . 1 . . . . 83 LEU CG . 11092 1 1029 . 1 1 83 83 LEU N N 15 120.268 0.300 . 1 . . . . 83 LEU N . 11092 1 1030 . 1 1 84 84 GLN H H 1 7.698 0.030 . 1 . . . . 84 GLN H . 11092 1 1031 . 1 1 84 84 GLN HA H 1 3.790 0.030 . 1 . . . . 84 GLN HA . 11092 1 1032 . 1 1 84 84 GLN HB2 H 1 1.763 0.030 . 2 . . . . 84 GLN HB2 . 11092 1 1033 . 1 1 84 84 GLN HB3 H 1 2.159 0.030 . 2 . . . . 84 GLN HB3 . 11092 1 1034 . 1 1 84 84 GLN HE21 H 1 6.104 0.030 . 2 . . . . 84 GLN HE21 . 11092 1 1035 . 1 1 84 84 GLN HE22 H 1 6.985 0.030 . 2 . . . . 84 GLN HE22 . 11092 1 1036 . 1 1 84 84 GLN HG2 H 1 2.334 0.030 . 1 . . . . 84 GLN HG2 . 11092 1 1037 . 1 1 84 84 GLN HG3 H 1 2.334 0.030 . 1 . . . . 84 GLN HG3 . 11092 1 1038 . 1 1 84 84 GLN C C 13 178.161 0.300 . 1 . . . . 84 GLN C . 11092 1 1039 . 1 1 84 84 GLN CA C 13 58.861 0.300 . 1 . . . . 84 GLN CA . 11092 1 1040 . 1 1 84 84 GLN CB C 13 27.823 0.300 . 1 . . . . 84 GLN CB . 11092 1 1041 . 1 1 84 84 GLN CG C 13 33.358 0.300 . 1 . . . . 84 GLN CG . 11092 1 1042 . 1 1 84 84 GLN N N 15 119.059 0.300 . 1 . . . . 84 GLN N . 11092 1 1043 . 1 1 84 84 GLN NE2 N 15 108.611 0.300 . 1 . . . . 84 GLN NE2 . 11092 1 1044 . 1 1 85 85 LYS H H 1 7.604 0.030 . 1 . . . . 85 LYS H . 11092 1 1045 . 1 1 85 85 LYS HA H 1 4.052 0.030 . 1 . . . . 85 LYS HA . 11092 1 1046 . 1 1 85 85 LYS HB2 H 1 1.896 0.030 . 1 . . . . 85 LYS HB2 . 11092 1 1047 . 1 1 85 85 LYS HB3 H 1 1.896 0.030 . 1 . . . . 85 LYS HB3 . 11092 1 1048 . 1 1 85 85 LYS HD2 H 1 1.676 0.030 . 1 . . . . 85 LYS HD2 . 11092 1 1049 . 1 1 85 85 LYS HD3 H 1 1.676 0.030 . 1 . . . . 85 LYS HD3 . 11092 1 1050 . 1 1 85 85 LYS HE2 H 1 2.946 0.030 . 1 . . . . 85 LYS HE2 . 11092 1 1051 . 1 1 85 85 LYS HE3 H 1 2.946 0.030 . 1 . . . . 85 LYS HE3 . 11092 1 1052 . 1 1 85 85 LYS HG2 H 1 1.443 0.030 . 2 . . . . 85 LYS HG2 . 11092 1 1053 . 1 1 85 85 LYS HG3 H 1 1.550 0.030 . 2 . . . . 85 LYS HG3 . 11092 1 1054 . 1 1 85 85 LYS C C 13 178.171 0.300 . 1 . . . . 85 LYS C . 11092 1 1055 . 1 1 85 85 LYS CA C 13 58.685 0.300 . 1 . . . . 85 LYS CA . 11092 1 1056 . 1 1 85 85 LYS CB C 13 32.448 0.300 . 1 . . . . 85 LYS CB . 11092 1 1057 . 1 1 85 85 LYS CD C 13 29.221 0.300 . 1 . . . . 85 LYS CD . 11092 1 1058 . 1 1 85 85 LYS CE C 13 41.967 0.300 . 1 . . . . 85 LYS CE . 11092 1 1059 . 1 1 85 85 LYS CG C 13 24.944 0.300 . 1 . . . . 85 LYS CG . 11092 1 1060 . 1 1 85 85 LYS N N 15 118.087 0.300 . 1 . . . . 85 LYS N . 11092 1 1061 . 1 1 86 86 ALA H H 1 7.640 0.030 . 1 . . . . 86 ALA H . 11092 1 1062 . 1 1 86 86 ALA HA H 1 4.321 0.030 . 1 . . . . 86 ALA HA . 11092 1 1063 . 1 1 86 86 ALA HB1 H 1 1.488 0.030 . 1 . . . . 86 ALA HB . 11092 1 1064 . 1 1 86 86 ALA HB2 H 1 1.488 0.030 . 1 . . . . 86 ALA HB . 11092 1 1065 . 1 1 86 86 ALA HB3 H 1 1.488 0.030 . 1 . . . . 86 ALA HB . 11092 1 1066 . 1 1 86 86 ALA C C 13 178.109 0.300 . 1 . . . . 86 ALA C . 11092 1 1067 . 1 1 86 86 ALA CA C 13 53.445 0.300 . 1 . . . . 86 ALA CA . 11092 1 1068 . 1 1 86 86 ALA CB C 13 19.272 0.300 . 1 . . . . 86 ALA CB . 11092 1 1069 . 1 1 86 86 ALA N N 15 119.357 0.300 . 1 . . . . 86 ALA N . 11092 1 1070 . 1 1 87 87 ASN H H 1 7.656 0.030 . 1 . . . . 87 ASN H . 11092 1 1071 . 1 1 87 87 ASN HA H 1 4.966 0.030 . 1 . . . . 87 ASN HA . 11092 1 1072 . 1 1 87 87 ASN HB2 H 1 2.805 0.030 . 2 . . . . 87 ASN HB2 . 11092 1 1073 . 1 1 87 87 ASN HB3 H 1 2.779 0.030 . 2 . . . . 87 ASN HB3 . 11092 1 1074 . 1 1 87 87 ASN HD21 H 1 7.363 0.030 . 2 . . . . 87 ASN HD21 . 11092 1 1075 . 1 1 87 87 ASN HD22 H 1 7.826 0.030 . 2 . . . . 87 ASN HD22 . 11092 1 1076 . 1 1 87 87 ASN C C 13 175.223 0.300 . 1 . . . . 87 ASN C . 11092 1 1077 . 1 1 87 87 ASN CA C 13 53.443 0.300 . 1 . . . . 87 ASN CA . 11092 1 1078 . 1 1 87 87 ASN CB C 13 40.075 0.300 . 1 . . . . 87 ASN CB . 11092 1 1079 . 1 1 87 87 ASN N N 15 117.341 0.300 . 1 . . . . 87 ASN N . 11092 1 1080 . 1 1 87 87 ASN ND2 N 15 115.102 0.300 . 1 . . . . 87 ASN ND2 . 11092 1 1081 . 1 1 88 88 GLN H H 1 8.217 0.030 . 1 . . . . 88 GLN H . 11092 1 1082 . 1 1 88 88 GLN HA H 1 4.236 0.030 . 1 . . . . 88 GLN HA . 11092 1 1083 . 1 1 88 88 GLN HB2 H 1 2.172 0.030 . 1 . . . . 88 GLN HB2 . 11092 1 1084 . 1 1 88 88 GLN HB3 H 1 2.172 0.030 . 1 . . . . 88 GLN HB3 . 11092 1 1085 . 1 1 88 88 GLN HE21 H 1 7.588 0.030 . 2 . . . . 88 GLN HE21 . 11092 1 1086 . 1 1 88 88 GLN HE22 H 1 6.890 0.030 . 2 . . . . 88 GLN HE22 . 11092 1 1087 . 1 1 88 88 GLN HG2 H 1 2.510 0.030 . 1 . . . . 88 GLN HG2 . 11092 1 1088 . 1 1 88 88 GLN HG3 H 1 2.510 0.030 . 1 . . . . 88 GLN HG3 . 11092 1 1089 . 1 1 88 88 GLN C C 13 177.967 0.300 . 1 . . . . 88 GLN C . 11092 1 1090 . 1 1 88 88 GLN CA C 13 58.566 0.300 . 1 . . . . 88 GLN CA . 11092 1 1091 . 1 1 88 88 GLN CB C 13 29.052 0.300 . 1 . . . . 88 GLN CB . 11092 1 1092 . 1 1 88 88 GLN CG C 13 34.072 0.300 . 1 . . . . 88 GLN CG . 11092 1 1093 . 1 1 88 88 GLN N N 15 119.767 0.300 . 1 . . . . 88 GLN N . 11092 1 1094 . 1 1 88 88 GLN NE2 N 15 112.212 0.300 . 1 . . . . 88 GLN NE2 . 11092 1 1095 . 1 1 89 89 GLU H H 1 8.657 0.030 . 1 . . . . 89 GLU H . 11092 1 1096 . 1 1 89 89 GLU HA H 1 4.167 0.030 . 1 . . . . 89 GLU HA . 11092 1 1097 . 1 1 89 89 GLU HB2 H 1 2.039 0.030 . 1 . . . . 89 GLU HB2 . 11092 1 1098 . 1 1 89 89 GLU HB3 H 1 2.039 0.030 . 1 . . . . 89 GLU HB3 . 11092 1 1099 . 1 1 89 89 GLU HG2 H 1 2.345 0.030 . 2 . . . . 89 GLU HG2 . 11092 1 1100 . 1 1 89 89 GLU HG3 H 1 2.293 0.030 . 2 . . . . 89 GLU HG3 . 11092 1 1101 . 1 1 89 89 GLU C C 13 178.065 0.300 . 1 . . . . 89 GLU C . 11092 1 1102 . 1 1 89 89 GLU CA C 13 58.650 0.300 . 1 . . . . 89 GLU CA . 11092 1 1103 . 1 1 89 89 GLU CB C 13 29.438 0.300 . 1 . . . . 89 GLU CB . 11092 1 1104 . 1 1 89 89 GLU CG C 13 36.622 0.300 . 1 . . . . 89 GLU CG . 11092 1 1105 . 1 1 89 89 GLU N N 15 120.527 0.300 . 1 . . . . 89 GLU N . 11092 1 1106 . 1 1 90 90 GLN H H 1 8.254 0.030 . 1 . . . . 90 GLN H . 11092 1 1107 . 1 1 90 90 GLN HA H 1 4.190 0.030 . 1 . . . . 90 GLN HA . 11092 1 1108 . 1 1 90 90 GLN HB2 H 1 2.027 0.030 . 1 . . . . 90 GLN HB2 . 11092 1 1109 . 1 1 90 90 GLN HB3 H 1 2.027 0.030 . 1 . . . . 90 GLN HB3 . 11092 1 1110 . 1 1 90 90 GLN HE21 H 1 7.567 0.030 . 2 . . . . 90 GLN HE21 . 11092 1 1111 . 1 1 90 90 GLN HE22 H 1 6.875 0.030 . 2 . . . . 90 GLN HE22 . 11092 1 1112 . 1 1 90 90 GLN HG2 H 1 2.343 0.030 . 1 . . . . 90 GLN HG2 . 11092 1 1113 . 1 1 90 90 GLN HG3 H 1 2.343 0.030 . 1 . . . . 90 GLN HG3 . 11092 1 1114 . 1 1 90 90 GLN C C 13 177.441 0.300 . 1 . . . . 90 GLN C . 11092 1 1115 . 1 1 90 90 GLN CA C 13 57.665 0.300 . 1 . . . . 90 GLN CA . 11092 1 1116 . 1 1 90 90 GLN CB C 13 28.645 0.300 . 1 . . . . 90 GLN CB . 11092 1 1117 . 1 1 90 90 GLN CG C 13 34.072 0.300 . 1 . . . . 90 GLN CG . 11092 1 1118 . 1 1 90 90 GLN N N 15 119.642 0.300 . 1 . . . . 90 GLN N . 11092 1 1119 . 1 1 90 90 GLN NE2 N 15 112.303 0.300 . 1 . . . . 90 GLN NE2 . 11092 1 1120 . 1 1 91 91 TYR H H 1 8.285 0.030 . 1 . . . . 91 TYR H . 11092 1 1121 . 1 1 91 91 TYR HA H 1 4.554 0.030 . 1 . . . . 91 TYR HA . 11092 1 1122 . 1 1 91 91 TYR HB2 H 1 3.123 0.030 . 2 . . . . 91 TYR HB2 . 11092 1 1123 . 1 1 91 91 TYR HB3 H 1 3.035 0.030 . 2 . . . . 91 TYR HB3 . 11092 1 1124 . 1 1 91 91 TYR HD1 H 1 7.169 0.030 . 1 . . . . 91 TYR HD1 . 11092 1 1125 . 1 1 91 91 TYR HD2 H 1 7.169 0.030 . 1 . . . . 91 TYR HD2 . 11092 1 1126 . 1 1 91 91 TYR HE1 H 1 6.766 0.030 . 1 . . . . 91 TYR HE1 . 11092 1 1127 . 1 1 91 91 TYR HE2 H 1 6.766 0.030 . 1 . . . . 91 TYR HE2 . 11092 1 1128 . 1 1 91 91 TYR C C 13 176.595 0.300 . 1 . . . . 91 TYR C . 11092 1 1129 . 1 1 91 91 TYR CA C 13 58.791 0.300 . 1 . . . . 91 TYR CA . 11092 1 1130 . 1 1 91 91 TYR CB C 13 38.358 0.300 . 1 . . . . 91 TYR CB . 11092 1 1131 . 1 1 91 91 TYR CD1 C 13 133.085 0.300 . 1 . . . . 91 TYR CD1 . 11092 1 1132 . 1 1 91 91 TYR CD2 C 13 133.085 0.300 . 1 . . . . 91 TYR CD2 . 11092 1 1133 . 1 1 91 91 TYR CE1 C 13 118.281 0.300 . 1 . . . . 91 TYR CE1 . 11092 1 1134 . 1 1 91 91 TYR CE2 C 13 118.281 0.300 . 1 . . . . 91 TYR CE2 . 11092 1 1135 . 1 1 91 91 TYR N N 15 121.090 0.300 . 1 . . . . 91 TYR N . 11092 1 1136 . 1 1 92 92 ALA H H 1 8.117 0.030 . 1 . . . . 92 ALA H . 11092 1 1137 . 1 1 92 92 ALA HA H 1 4.077 0.030 . 1 . . . . 92 ALA HA . 11092 1 1138 . 1 1 92 92 ALA HB1 H 1 1.428 0.030 . 1 . . . . 92 ALA HB . 11092 1 1139 . 1 1 92 92 ALA HB2 H 1 1.428 0.030 . 1 . . . . 92 ALA HB . 11092 1 1140 . 1 1 92 92 ALA HB3 H 1 1.428 0.030 . 1 . . . . 92 ALA HB . 11092 1 1141 . 1 1 92 92 ALA C C 13 178.884 0.300 . 1 . . . . 92 ALA C . 11092 1 1142 . 1 1 92 92 ALA CA C 13 53.795 0.300 . 1 . . . . 92 ALA CA . 11092 1 1143 . 1 1 92 92 ALA CB C 13 18.668 0.300 . 1 . . . . 92 ALA CB . 11092 1 1144 . 1 1 92 92 ALA N N 15 123.804 0.300 . 1 . . . . 92 ALA N . 11092 1 1145 . 1 1 93 93 GLU H H 1 8.045 0.030 . 1 . . . . 93 GLU H . 11092 1 1146 . 1 1 93 93 GLU HA H 1 4.056 0.030 . 1 . . . . 93 GLU HA . 11092 1 1147 . 1 1 93 93 GLU HB2 H 1 2.018 0.030 . 1 . . . . 93 GLU HB2 . 11092 1 1148 . 1 1 93 93 GLU HB3 H 1 2.018 0.030 . 1 . . . . 93 GLU HB3 . 11092 1 1149 . 1 1 93 93 GLU HG2 H 1 2.200 0.030 . 2 . . . . 93 GLU HG2 . 11092 1 1150 . 1 1 93 93 GLU HG3 H 1 2.300 0.030 . 2 . . . . 93 GLU HG3 . 11092 1 1151 . 1 1 93 93 GLU C C 13 178.066 0.300 . 1 . . . . 93 GLU C . 11092 1 1152 . 1 1 93 93 GLU CA C 13 58.017 0.300 . 1 . . . . 93 GLU CA . 11092 1 1153 . 1 1 93 93 GLU CB C 13 29.683 0.300 . 1 . . . . 93 GLU CB . 11092 1 1154 . 1 1 93 93 GLU CG C 13 36.293 0.300 . 1 . . . . 93 GLU CG . 11092 1 1155 . 1 1 93 93 GLU N N 15 119.013 0.300 . 1 . . . . 93 GLU N . 11092 1 1156 . 1 1 94 94 GLY H H 1 8.155 0.030 . 1 . . . . 94 GLY H . 11092 1 1157 . 1 1 94 94 GLY HA2 H 1 3.622 0.030 . 2 . . . . 94 GLY HA2 . 11092 1 1158 . 1 1 94 94 GLY HA3 H 1 3.985 0.030 . 2 . . . . 94 GLY HA3 . 11092 1 1159 . 1 1 94 94 GLY C C 13 175.260 0.300 . 1 . . . . 94 GLY C . 11092 1 1160 . 1 1 94 94 GLY CA C 13 46.120 0.300 . 1 . . . . 94 GLY CA . 11092 1 1161 . 1 1 94 94 GLY N N 15 108.540 0.300 . 1 . . . . 94 GLY N . 11092 1 1162 . 1 1 95 95 LYS H H 1 7.934 0.030 . 1 . . . . 95 LYS H . 11092 1 1163 . 1 1 95 95 LYS HA H 1 4.178 0.030 . 1 . . . . 95 LYS HA . 11092 1 1164 . 1 1 95 95 LYS HB2 H 1 1.715 0.030 . 2 . . . . 95 LYS HB2 . 11092 1 1165 . 1 1 95 95 LYS HB3 H 1 1.665 0.030 . 2 . . . . 95 LYS HB3 . 11092 1 1166 . 1 1 95 95 LYS HD2 H 1 1.518 0.030 . 1 . . . . 95 LYS HD2 . 11092 1 1167 . 1 1 95 95 LYS HD3 H 1 1.518 0.030 . 1 . . . . 95 LYS HD3 . 11092 1 1168 . 1 1 95 95 LYS HE2 H 1 2.804 0.030 . 1 . . . . 95 LYS HE2 . 11092 1 1169 . 1 1 95 95 LYS HE3 H 1 2.804 0.030 . 1 . . . . 95 LYS HE3 . 11092 1 1170 . 1 1 95 95 LYS HG2 H 1 1.274 0.030 . 1 . . . . 95 LYS HG2 . 11092 1 1171 . 1 1 95 95 LYS HG3 H 1 1.274 0.030 . 1 . . . . 95 LYS HG3 . 11092 1 1172 . 1 1 95 95 LYS C C 13 177.811 0.300 . 1 . . . . 95 LYS C . 11092 1 1173 . 1 1 95 95 LYS CA C 13 57.313 0.300 . 1 . . . . 95 LYS CA . 11092 1 1174 . 1 1 95 95 LYS CB C 13 32.558 0.300 . 1 . . . . 95 LYS CB . 11092 1 1175 . 1 1 95 95 LYS CD C 13 29.056 0.300 . 1 . . . . 95 LYS CD . 11092 1 1176 . 1 1 95 95 LYS CE C 13 41.983 0.300 . 1 . . . . 95 LYS CE . 11092 1 1177 . 1 1 95 95 LYS CG C 13 24.734 0.300 . 1 . . . . 95 LYS CG . 11092 1 1178 . 1 1 95 95 LYS N N 15 120.556 0.300 . 1 . . . . 95 LYS N . 11092 1 1179 . 1 1 96 96 MET H H 1 7.946 0.030 . 1 . . . . 96 MET H . 11092 1 1180 . 1 1 96 96 MET HA H 1 4.296 0.030 . 1 . . . . 96 MET HA . 11092 1 1181 . 1 1 96 96 MET HB2 H 1 2.028 0.030 . 2 . . . . 96 MET HB2 . 11092 1 1182 . 1 1 96 96 MET HB3 H 1 1.968 0.030 . 2 . . . . 96 MET HB3 . 11092 1 1183 . 1 1 96 96 MET HE1 H 1 1.974 0.030 . 1 . . . . 96 MET HE . 11092 1 1184 . 1 1 96 96 MET HE2 H 1 1.974 0.030 . 1 . . . . 96 MET HE . 11092 1 1185 . 1 1 96 96 MET HE3 H 1 1.974 0.030 . 1 . . . . 96 MET HE . 11092 1 1186 . 1 1 96 96 MET HG2 H 1 2.520 0.030 . 2 . . . . 96 MET HG2 . 11092 1 1187 . 1 1 96 96 MET HG3 H 1 2.440 0.030 . 2 . . . . 96 MET HG3 . 11092 1 1188 . 1 1 96 96 MET C C 13 176.899 0.300 . 1 . . . . 96 MET C . 11092 1 1189 . 1 1 96 96 MET CA C 13 56.258 0.300 . 1 . . . . 96 MET CA . 11092 1 1190 . 1 1 96 96 MET CB C 13 32.241 0.300 . 1 . . . . 96 MET CB . 11092 1 1191 . 1 1 96 96 MET CE C 13 16.847 0.300 . 1 . . . . 96 MET CE . 11092 1 1192 . 1 1 96 96 MET CG C 13 32.017 0.300 . 1 . . . . 96 MET CG . 11092 1 1193 . 1 1 96 96 MET N N 15 119.634 0.300 . 1 . . . . 96 MET N . 11092 1 1194 . 1 1 97 97 ARG H H 1 7.860 0.030 . 1 . . . . 97 ARG H . 11092 1 1195 . 1 1 97 97 ARG HA H 1 4.090 0.030 . 1 . . . . 97 ARG HA . 11092 1 1196 . 1 1 97 97 ARG HB2 H 1 1.295 0.030 . 2 . . . . 97 ARG HB2 . 11092 1 1197 . 1 1 97 97 ARG HB3 H 1 1.259 0.030 . 2 . . . . 97 ARG HB3 . 11092 1 1198 . 1 1 97 97 ARG HG2 H 1 1.168 0.030 . 2 . . . . 97 ARG HG2 . 11092 1 1199 . 1 1 97 97 ARG HG3 H 1 1.297 0.030 . 2 . . . . 97 ARG HG3 . 11092 1 1200 . 1 1 97 97 ARG C C 13 176.585 0.300 . 1 . . . . 97 ARG C . 11092 1 1201 . 1 1 97 97 ARG CA C 13 56.926 0.300 . 1 . . . . 97 ARG CA . 11092 1 1202 . 1 1 97 97 ARG CB C 13 30.043 0.300 . 1 . . . . 97 ARG CB . 11092 1 1203 . 1 1 97 97 ARG CD C 13 42.789 0.300 . 1 . . . . 97 ARG CD . 11092 1 1204 . 1 1 97 97 ARG CG C 13 27.126 0.300 . 1 . . . . 97 ARG CG . 11092 1 1205 . 1 1 97 97 ARG N N 15 120.674 0.300 . 1 . . . . 97 ARG N . 11092 1 1206 . 1 1 98 98 GLY H H 1 7.954 0.030 . 1 . . . . 98 GLY H . 11092 1 1207 . 1 1 98 98 GLY HA2 H 1 3.866 0.030 . 1 . . . . 98 GLY HA2 . 11092 1 1208 . 1 1 98 98 GLY HA3 H 1 3.866 0.030 . 1 . . . . 98 GLY HA3 . 11092 1 1209 . 1 1 98 98 GLY C C 13 173.645 0.300 . 1 . . . . 98 GLY C . 11092 1 1210 . 1 1 98 98 GLY CA C 13 45.069 0.300 . 1 . . . . 98 GLY CA . 11092 1 1211 . 1 1 98 98 GLY N N 15 108.296 0.300 . 1 . . . . 98 GLY N . 11092 1 1212 . 1 1 99 99 ALA H H 1 7.927 0.030 . 1 . . . . 99 ALA H . 11092 1 1213 . 1 1 99 99 ALA HA H 1 4.326 0.030 . 1 . . . . 99 ALA HA . 11092 1 1214 . 1 1 99 99 ALA HB1 H 1 1.377 0.030 . 1 . . . . 99 ALA HB . 11092 1 1215 . 1 1 99 99 ALA HB2 H 1 1.377 0.030 . 1 . . . . 99 ALA HB . 11092 1 1216 . 1 1 99 99 ALA HB3 H 1 1.377 0.030 . 1 . . . . 99 ALA HB . 11092 1 1217 . 1 1 99 99 ALA C C 13 176.392 0.300 . 1 . . . . 99 ALA C . 11092 1 1218 . 1 1 99 99 ALA CA C 13 52.387 0.300 . 1 . . . . 99 ALA CA . 11092 1 1219 . 1 1 99 99 ALA CB C 13 19.645 0.300 . 1 . . . . 99 ALA CB . 11092 1 1220 . 1 1 99 99 ALA N N 15 123.703 0.300 . 1 . . . . 99 ALA N . 11092 1 1221 . 1 1 100 100 ALA H H 1 7.922 0.030 . 1 . . . . 100 ALA H . 11092 1 1222 . 1 1 100 100 ALA HA H 1 4.091 0.030 . 1 . . . . 100 ALA HA . 11092 1 1223 . 1 1 100 100 ALA HB1 H 1 1.330 0.030 . 1 . . . . 100 ALA HB . 11092 1 1224 . 1 1 100 100 ALA HB2 H 1 1.330 0.030 . 1 . . . . 100 ALA HB . 11092 1 1225 . 1 1 100 100 ALA HB3 H 1 1.330 0.030 . 1 . . . . 100 ALA HB . 11092 1 1226 . 1 1 100 100 ALA C C 13 182.706 0.300 . 1 . . . . 100 ALA C . 11092 1 1227 . 1 1 100 100 ALA CA C 13 53.900 0.300 . 1 . . . . 100 ALA CA . 11092 1 1228 . 1 1 100 100 ALA CB C 13 20.077 0.300 . 1 . . . . 100 ALA CB . 11092 1 1229 . 1 1 100 100 ALA N N 15 128.703 0.300 . 1 . . . . 100 ALA N . 11092 1 stop_ save_