data_10294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10294 _Entry.Title ; Solution structure of the homeobox domain of Homeobox protein OTX2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Ohnishi . . . 10294 2 K. Saito . . . 10294 3 S. Koshiba . . . 10294 4 M. Inoue . . . 10294 5 T. Kigawa . . . 10294 6 S. Yokoyama . . . 10294 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 10294 '15N chemical shifts' 66 10294 '1H chemical shifts' 436 10294 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-17 2008-12-17 original author . 10294 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMS 'BMRB Entry Tracking System' 10294 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10294 _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 homeobox domain of Homeobox protein OTX2' _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 S. Ohnishi . . . 10294 1 2 K. Saito . . . 10294 1 3 S. Koshiba . . . 10294 1 4 M. Inoue . . . 10294 1 5 T. Kigawa . . . 10294 1 6 S. Yokoyama . . . 10294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10294 _Assembly.ID 1 _Assembly.Name 'Homeobox protein OTX2' _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 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10294 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2DMS . . . . . . 10294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRRERTTFTRAQLD VLEALFAKTRYPDIFMREEV ALKINLPESRVQVWFKNRRA KCRQQQQQQQNGGQSGPSSG ; _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 80 _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 2DMS . "Solution Structure Of The Homeobox Domain Of Homeobox Protein Otx2" . . . . . 100.00 80 100.00 100.00 9.48e-50 . . . . 10294 1 2 no DBJ BAA05159 . "otx homeoprotein [Danio rerio]" . . . . . 83.75 289 100.00 100.00 1.08e-39 . . . . 10294 1 3 no DBJ BAB16104 . "orthodenticle [Apostichopus japonicus]" . . . . . 68.75 338 98.18 98.18 1.45e-26 . . . . 10294 1 4 no DBJ BAB62171 . "transcriptional factor [Leucopsarion petersii]" . . . . . 75.00 326 98.33 100.00 1.19e-34 . . . . 10294 1 5 no DBJ BAC02578 . "Otx2 [Labidochromis caeruleus]" . . . . . 83.75 245 100.00 100.00 1.79e-40 . . . . 10294 1 6 no DBJ BAC02579 . "Otx2, partial [Haplochromis brownae]" . . . . . 83.75 245 100.00 100.00 1.79e-40 . . . . 10294 1 7 no EMBL CAA04396 . "Otx2 [Oryzias latipes]" . . . . . 83.75 181 100.00 100.00 6.94e-41 . . . . 10294 1 8 no EMBL CAA87093 . "homeobox protein [Xenopus laevis]" . . . . . 83.75 288 98.51 100.00 1.68e-39 . . . . 10294 1 9 no EMBL CAD32962 . "homeobox protein OTX2 [Gallus gallus]" . . . . . 83.75 289 100.00 100.00 1.18e-39 . . . . 10294 1 10 no EMBL CAG00311 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 75.00 333 98.33 100.00 1.20e-34 . . . . 10294 1 11 no EMBL CAG10588 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 83.75 346 98.51 98.51 5.11e-33 . . . . 10294 1 12 no GB AAA78901 . "orthodenticle-related protein 2 [Danio rerio]" . . . . . 83.75 289 100.00 100.00 1.08e-39 . . . . 10294 1 13 no GB AAA85388 . "orthodenticle-A like protein, partial [Xenopus laevis]" . . . . . 78.75 102 98.41 100.00 8.75e-37 . . . . 10294 1 14 no GB AAB27580 . "Otx2=homeodomain containing [mice, embryos, Peptide, 289 aa]" . . . . . 83.75 289 100.00 100.00 1.19e-39 . . . . 10294 1 15 no GB AAB63527 . "orthodenticle 2 [Xenopus laevis]" . . . . . 83.75 289 98.51 100.00 1.44e-39 . . . . 10294 1 16 no GB AAD31385 . "homeodomain protein OTX2 [Homo sapiens]" . . . . . 83.75 289 100.00 100.00 1.28e-39 . . . . 10294 1 17 no PIR S39407 . "homeotic protein otx2 - human" . . . . . 83.75 225 100.00 100.00 5.36e-40 . . . . 10294 1 18 no REF NP_001016021 . "homeobox protein otx5 [Xenopus (Silurana) tropicalis]" . . . . . 70.00 290 98.21 100.00 1.26e-31 . . . . 10294 1 19 no REF NP_001016177 . "homeobox protein OTX2 [Xenopus (Silurana) tropicalis]" . . . . . 83.75 289 100.00 100.00 1.30e-39 . . . . 10294 1 20 no REF NP_001084160 . "homeobox protein OTX2-A [Xenopus laevis]" . . . . . 83.75 288 98.51 100.00 1.68e-39 . . . . 10294 1 21 no REF NP_001084955 . "homeobox protein OTX2-B [Xenopus laevis]" . . . . . 83.75 289 98.51 100.00 1.44e-39 . . . . 10294 1 22 no REF NP_001094036 . "homeobox protein OTX2 [Rattus norvegicus]" . . . . . 83.75 289 100.00 100.00 1.28e-39 . . . . 10294 1 23 no SP P32242 . "RecName: Full=Homeobox protein OTX1; AltName: Full=Orthodenticle homolog 1" . . . . . 75.00 354 98.33 100.00 1.65e-33 . . . . 10294 1 24 no SP P32243 . "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle homolog 2" . . . . . 83.75 289 100.00 100.00 1.28e-39 . . . . 10294 1 25 no SP P80206 . "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle homolog 2" . . . . . 83.75 289 100.00 100.00 1.19e-39 . . . . 10294 1 26 no SP Q28EM7 . "RecName: Full=Homeobox protein otx5; AltName: Full=Orthodenticle homolog 5" . . . . . 70.00 290 98.21 100.00 1.26e-31 . . . . 10294 1 27 no SP Q28FN6 . "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle 2" . . . . . 83.75 289 100.00 100.00 1.30e-39 . . . . 10294 1 28 no TPG DAA24647 . "TPA: orthodenticle homeobox 1-like [Bos taurus]" . . . . . 75.00 355 98.33 100.00 2.00e-33 . . . . 10294 1 29 no TPG DAA25273 . "TPA: orthodenticle homeobox 2-like isoform 1 [Bos taurus]" . . . . . 83.75 289 100.00 100.00 1.19e-39 . . . . 10294 1 30 no TPG DAA25274 . "TPA: orthodenticle homeobox 2-like isoform 2 [Bos taurus]" . . . . . 83.75 297 100.00 100.00 1.51e-39 . . . . 10294 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10294 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 . 10294 1 2 . SER . 10294 1 3 . SER . 10294 1 4 . GLY . 10294 1 5 . SER . 10294 1 6 . SER . 10294 1 7 . GLY . 10294 1 8 . ARG . 10294 1 9 . ARG . 10294 1 10 . GLU . 10294 1 11 . ARG . 10294 1 12 . THR . 10294 1 13 . THR . 10294 1 14 . PHE . 10294 1 15 . THR . 10294 1 16 . ARG . 10294 1 17 . ALA . 10294 1 18 . GLN . 10294 1 19 . LEU . 10294 1 20 . ASP . 10294 1 21 . VAL . 10294 1 22 . LEU . 10294 1 23 . GLU . 10294 1 24 . ALA . 10294 1 25 . LEU . 10294 1 26 . PHE . 10294 1 27 . ALA . 10294 1 28 . LYS . 10294 1 29 . THR . 10294 1 30 . ARG . 10294 1 31 . TYR . 10294 1 32 . PRO . 10294 1 33 . ASP . 10294 1 34 . ILE . 10294 1 35 . PHE . 10294 1 36 . MET . 10294 1 37 . ARG . 10294 1 38 . GLU . 10294 1 39 . GLU . 10294 1 40 . VAL . 10294 1 41 . ALA . 10294 1 42 . LEU . 10294 1 43 . LYS . 10294 1 44 . ILE . 10294 1 45 . ASN . 10294 1 46 . LEU . 10294 1 47 . PRO . 10294 1 48 . GLU . 10294 1 49 . SER . 10294 1 50 . ARG . 10294 1 51 . VAL . 10294 1 52 . GLN . 10294 1 53 . VAL . 10294 1 54 . TRP . 10294 1 55 . PHE . 10294 1 56 . LYS . 10294 1 57 . ASN . 10294 1 58 . ARG . 10294 1 59 . ARG . 10294 1 60 . ALA . 10294 1 61 . LYS . 10294 1 62 . CYS . 10294 1 63 . ARG . 10294 1 64 . GLN . 10294 1 65 . GLN . 10294 1 66 . GLN . 10294 1 67 . GLN . 10294 1 68 . GLN . 10294 1 69 . GLN . 10294 1 70 . GLN . 10294 1 71 . ASN . 10294 1 72 . GLY . 10294 1 73 . GLY . 10294 1 74 . GLN . 10294 1 75 . SER . 10294 1 76 . GLY . 10294 1 77 . PRO . 10294 1 78 . SER . 10294 1 79 . SER . 10294 1 80 . GLY . 10294 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 10294 1 . SER 2 2 10294 1 . SER 3 3 10294 1 . GLY 4 4 10294 1 . SER 5 5 10294 1 . SER 6 6 10294 1 . GLY 7 7 10294 1 . ARG 8 8 10294 1 . ARG 9 9 10294 1 . GLU 10 10 10294 1 . ARG 11 11 10294 1 . THR 12 12 10294 1 . THR 13 13 10294 1 . PHE 14 14 10294 1 . THR 15 15 10294 1 . ARG 16 16 10294 1 . ALA 17 17 10294 1 . GLN 18 18 10294 1 . LEU 19 19 10294 1 . ASP 20 20 10294 1 . VAL 21 21 10294 1 . LEU 22 22 10294 1 . GLU 23 23 10294 1 . ALA 24 24 10294 1 . LEU 25 25 10294 1 . PHE 26 26 10294 1 . ALA 27 27 10294 1 . LYS 28 28 10294 1 . THR 29 29 10294 1 . ARG 30 30 10294 1 . TYR 31 31 10294 1 . PRO 32 32 10294 1 . ASP 33 33 10294 1 . ILE 34 34 10294 1 . PHE 35 35 10294 1 . MET 36 36 10294 1 . ARG 37 37 10294 1 . GLU 38 38 10294 1 . GLU 39 39 10294 1 . VAL 40 40 10294 1 . ALA 41 41 10294 1 . LEU 42 42 10294 1 . LYS 43 43 10294 1 . ILE 44 44 10294 1 . ASN 45 45 10294 1 . LEU 46 46 10294 1 . PRO 47 47 10294 1 . GLU 48 48 10294 1 . SER 49 49 10294 1 . ARG 50 50 10294 1 . VAL 51 51 10294 1 . GLN 52 52 10294 1 . VAL 53 53 10294 1 . TRP 54 54 10294 1 . PHE 55 55 10294 1 . LYS 56 56 10294 1 . ASN 57 57 10294 1 . ARG 58 58 10294 1 . ARG 59 59 10294 1 . ALA 60 60 10294 1 . LYS 61 61 10294 1 . CYS 62 62 10294 1 . ARG 63 63 10294 1 . GLN 64 64 10294 1 . GLN 65 65 10294 1 . GLN 66 66 10294 1 . GLN 67 67 10294 1 . GLN 68 68 10294 1 . GLN 69 69 10294 1 . GLN 70 70 10294 1 . ASN 71 71 10294 1 . GLY 72 72 10294 1 . GLY 73 73 10294 1 . GLN 74 74 10294 1 . SER 75 75 10294 1 . GLY 76 76 10294 1 . PRO 77 77 10294 1 . SER 78 78 10294 1 . SER 79 79 10294 1 . GLY 80 80 10294 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 10294 _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 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10294 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 10294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050711-11 . . . . . . 10294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10294 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10294 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10294 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10294 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10294 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10294 1 6 H2O . . . . . . solvent 90 . . % . . . . 10294 1 7 D2O . . . . . . solvent 10 . . % . . . . 10294 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 10294 _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 10294 1 pH 7.0 0.05 pH 10294 1 pressure 1 0.001 atm 10294 1 temperature 298 0.1 K 10294 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10294 _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 . . 10294 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10294 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10294 _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.' . . 10294 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10294 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10294 _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.' . . 10294 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10294 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10294 _Software.ID 4 _Software.Name Kujira _Software.Version 0.965 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10294 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10294 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10294 _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.' . . 10294 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10294 5 'structure solution' 10294 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 10294 _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 10294 _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 . . . 10294 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 10294 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10294 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10294 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 10294 _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 . . . . . . . . . 10294 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10294 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10294 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 10294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10294 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10294 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 3.978 0.030 . 1 . . . . 7 GLY HA2 . 10294 1 2 . 1 1 7 7 GLY HA3 H 1 3.978 0.030 . 1 . . . . 7 GLY HA3 . 10294 1 3 . 1 1 7 7 GLY C C 13 174.149 0.300 . 1 . . . . 7 GLY C . 10294 1 4 . 1 1 7 7 GLY CA C 13 45.393 0.300 . 1 . . . . 7 GLY CA . 10294 1 5 . 1 1 8 8 ARG H H 1 8.135 0.030 . 1 . . . . 8 ARG H . 10294 1 6 . 1 1 8 8 ARG C C 13 176.480 0.300 . 1 . . . . 8 ARG C . 10294 1 7 . 1 1 8 8 ARG CA C 13 56.589 0.300 . 1 . . . . 8 ARG CA . 10294 1 8 . 1 1 8 8 ARG CB C 13 30.686 0.300 . 1 . . . . 8 ARG CB . 10294 1 9 . 1 1 8 8 ARG CD C 13 43.339 0.300 . 1 . . . . 8 ARG CD . 10294 1 10 . 1 1 8 8 ARG CG C 13 26.964 0.300 . 1 . . . . 8 ARG CG . 10294 1 11 . 1 1 8 8 ARG N N 15 120.720 0.300 . 1 . . . . 8 ARG N . 10294 1 12 . 1 1 9 9 ARG H H 1 8.471 0.030 . 1 . . . . 9 ARG H . 10294 1 13 . 1 1 9 9 ARG HA H 1 4.288 0.030 . 1 . . . . 9 ARG HA . 10294 1 14 . 1 1 9 9 ARG C C 13 176.504 0.300 . 1 . . . . 9 ARG C . 10294 1 15 . 1 1 9 9 ARG CA C 13 56.432 0.300 . 1 . . . . 9 ARG CA . 10294 1 16 . 1 1 9 9 ARG CB C 13 30.466 0.300 . 1 . . . . 9 ARG CB . 10294 1 17 . 1 1 9 9 ARG N N 15 122.487 0.300 . 1 . . . . 9 ARG N . 10294 1 18 . 1 1 13 13 THR HA H 1 4.365 0.030 . 1 . . . . 13 THR HA . 10294 1 19 . 1 1 13 13 THR HB H 1 4.147 0.030 . 1 . . . . 13 THR HB . 10294 1 20 . 1 1 13 13 THR HG21 H 1 1.128 0.030 . 1 . . . . 13 THR HG2 . 10294 1 21 . 1 1 13 13 THR HG22 H 1 1.128 0.030 . 1 . . . . 13 THR HG2 . 10294 1 22 . 1 1 13 13 THR HG23 H 1 1.128 0.030 . 1 . . . . 13 THR HG2 . 10294 1 23 . 1 1 13 13 THR C C 13 173.954 0.300 . 1 . . . . 13 THR C . 10294 1 24 . 1 1 13 13 THR CA C 13 61.440 0.300 . 1 . . . . 13 THR CA . 10294 1 25 . 1 1 13 13 THR CB C 13 70.210 0.300 . 1 . . . . 13 THR CB . 10294 1 26 . 1 1 13 13 THR CG2 C 13 21.519 0.300 . 1 . . . . 13 THR CG2 . 10294 1 27 . 1 1 14 14 PHE H H 1 8.297 0.030 . 1 . . . . 14 PHE H . 10294 1 28 . 1 1 14 14 PHE HA H 1 4.941 0.030 . 1 . . . . 14 PHE HA . 10294 1 29 . 1 1 14 14 PHE HB2 H 1 2.767 0.030 . 2 . . . . 14 PHE HB2 . 10294 1 30 . 1 1 14 14 PHE HB3 H 1 3.091 0.030 . 2 . . . . 14 PHE HB3 . 10294 1 31 . 1 1 14 14 PHE HD1 H 1 7.149 0.030 . 1 . . . . 14 PHE HD1 . 10294 1 32 . 1 1 14 14 PHE HD2 H 1 7.149 0.030 . 1 . . . . 14 PHE HD2 . 10294 1 33 . 1 1 14 14 PHE HE1 H 1 7.217 0.030 . 1 . . . . 14 PHE HE1 . 10294 1 34 . 1 1 14 14 PHE HE2 H 1 7.217 0.030 . 1 . . . . 14 PHE HE2 . 10294 1 35 . 1 1 14 14 PHE HZ H 1 7.307 0.030 . 1 . . . . 14 PHE HZ . 10294 1 36 . 1 1 14 14 PHE C C 13 176.650 0.300 . 1 . . . . 14 PHE C . 10294 1 37 . 1 1 14 14 PHE CA C 13 57.077 0.300 . 1 . . . . 14 PHE CA . 10294 1 38 . 1 1 14 14 PHE CB C 13 41.503 0.300 . 1 . . . . 14 PHE CB . 10294 1 39 . 1 1 14 14 PHE CD1 C 13 131.597 0.300 . 1 . . . . 14 PHE CD1 . 10294 1 40 . 1 1 14 14 PHE CD2 C 13 131.597 0.300 . 1 . . . . 14 PHE CD2 . 10294 1 41 . 1 1 14 14 PHE CE1 C 13 131.475 0.300 . 1 . . . . 14 PHE CE1 . 10294 1 42 . 1 1 14 14 PHE CE2 C 13 131.475 0.300 . 1 . . . . 14 PHE CE2 . 10294 1 43 . 1 1 14 14 PHE CZ C 13 128.997 0.300 . 1 . . . . 14 PHE CZ . 10294 1 44 . 1 1 14 14 PHE N N 15 121.677 0.300 . 1 . . . . 14 PHE N . 10294 1 45 . 1 1 15 15 THR H H 1 9.009 0.030 . 1 . . . . 15 THR H . 10294 1 46 . 1 1 15 15 THR HA H 1 4.493 0.030 . 1 . . . . 15 THR HA . 10294 1 47 . 1 1 15 15 THR HB H 1 4.748 0.030 . 1 . . . . 15 THR HB . 10294 1 48 . 1 1 15 15 THR HG21 H 1 1.296 0.030 . 1 . . . . 15 THR HG2 . 10294 1 49 . 1 1 15 15 THR HG22 H 1 1.296 0.030 . 1 . . . . 15 THR HG2 . 10294 1 50 . 1 1 15 15 THR HG23 H 1 1.296 0.030 . 1 . . . . 15 THR HG2 . 10294 1 51 . 1 1 15 15 THR C C 13 175.314 0.300 . 1 . . . . 15 THR C . 10294 1 52 . 1 1 15 15 THR CA C 13 60.359 0.300 . 1 . . . . 15 THR CA . 10294 1 53 . 1 1 15 15 THR CB C 13 70.902 0.300 . 1 . . . . 15 THR CB . 10294 1 54 . 1 1 15 15 THR CG2 C 13 21.837 0.300 . 1 . . . . 15 THR CG2 . 10294 1 55 . 1 1 15 15 THR N N 15 113.381 0.300 . 1 . . . . 15 THR N . 10294 1 56 . 1 1 16 16 ARG H H 1 8.882 0.030 . 1 . . . . 16 ARG H . 10294 1 57 . 1 1 16 16 ARG HA H 1 3.986 0.030 . 1 . . . . 16 ARG HA . 10294 1 58 . 1 1 16 16 ARG HB2 H 1 1.965 0.030 . 1 . . . . 16 ARG HB2 . 10294 1 59 . 1 1 16 16 ARG HB3 H 1 1.965 0.030 . 1 . . . . 16 ARG HB3 . 10294 1 60 . 1 1 16 16 ARG HD2 H 1 3.303 0.030 . 2 . . . . 16 ARG HD2 . 10294 1 61 . 1 1 16 16 ARG HD3 H 1 3.230 0.030 . 2 . . . . 16 ARG HD3 . 10294 1 62 . 1 1 16 16 ARG HG2 H 1 1.843 0.030 . 2 . . . . 16 ARG HG2 . 10294 1 63 . 1 1 16 16 ARG HG3 H 1 1.666 0.030 . 2 . . . . 16 ARG HG3 . 10294 1 64 . 1 1 16 16 ARG C C 13 177.670 0.300 . 1 . . . . 16 ARG C . 10294 1 65 . 1 1 16 16 ARG CA C 13 59.042 0.300 . 1 . . . . 16 ARG CA . 10294 1 66 . 1 1 16 16 ARG CB C 13 30.100 0.300 . 1 . . . . 16 ARG CB . 10294 1 67 . 1 1 16 16 ARG CD C 13 43.160 0.300 . 1 . . . . 16 ARG CD . 10294 1 68 . 1 1 16 16 ARG CG C 13 26.339 0.300 . 1 . . . . 16 ARG CG . 10294 1 69 . 1 1 16 16 ARG N N 15 122.206 0.300 . 1 . . . . 16 ARG N . 10294 1 70 . 1 1 17 17 ALA H H 1 8.251 0.030 . 1 . . . . 17 ALA H . 10294 1 71 . 1 1 17 17 ALA HA H 1 4.159 0.030 . 1 . . . . 17 ALA HA . 10294 1 72 . 1 1 17 17 ALA HB1 H 1 1.408 0.030 . 1 . . . . 17 ALA HB . 10294 1 73 . 1 1 17 17 ALA HB2 H 1 1.408 0.030 . 1 . . . . 17 ALA HB . 10294 1 74 . 1 1 17 17 ALA HB3 H 1 1.408 0.030 . 1 . . . . 17 ALA HB . 10294 1 75 . 1 1 17 17 ALA C C 13 181.386 0.300 . 1 . . . . 17 ALA C . 10294 1 76 . 1 1 17 17 ALA CA C 13 54.986 0.300 . 1 . . . . 17 ALA CA . 10294 1 77 . 1 1 17 17 ALA CB C 13 18.333 0.300 . 1 . . . . 17 ALA CB . 10294 1 78 . 1 1 17 17 ALA N N 15 119.149 0.300 . 1 . . . . 17 ALA N . 10294 1 79 . 1 1 18 18 GLN H H 1 7.533 0.030 . 1 . . . . 18 GLN H . 10294 1 80 . 1 1 18 18 GLN HA H 1 3.858 0.030 . 1 . . . . 18 GLN HA . 10294 1 81 . 1 1 18 18 GLN HB2 H 1 2.668 0.030 . 2 . . . . 18 GLN HB2 . 10294 1 82 . 1 1 18 18 GLN HB3 H 1 1.602 0.030 . 2 . . . . 18 GLN HB3 . 10294 1 83 . 1 1 18 18 GLN HE21 H 1 6.595 0.030 . 2 . . . . 18 GLN HE21 . 10294 1 84 . 1 1 18 18 GLN HE22 H 1 7.703 0.030 . 2 . . . . 18 GLN HE22 . 10294 1 85 . 1 1 18 18 GLN HG2 H 1 2.371 0.030 . 2 . . . . 18 GLN HG2 . 10294 1 86 . 1 1 18 18 GLN HG3 H 1 2.720 0.030 . 2 . . . . 18 GLN HG3 . 10294 1 87 . 1 1 18 18 GLN C C 13 177.986 0.300 . 1 . . . . 18 GLN C . 10294 1 88 . 1 1 18 18 GLN CA C 13 58.790 0.300 . 1 . . . . 18 GLN CA . 10294 1 89 . 1 1 18 18 GLN CB C 13 28.603 0.300 . 1 . . . . 18 GLN CB . 10294 1 90 . 1 1 18 18 GLN CG C 13 34.921 0.300 . 1 . . . . 18 GLN CG . 10294 1 91 . 1 1 18 18 GLN N N 15 116.295 0.300 . 1 . . . . 18 GLN N . 10294 1 92 . 1 1 18 18 GLN NE2 N 15 110.854 0.300 . 1 . . . . 18 GLN NE2 . 10294 1 93 . 1 1 19 19 LEU H H 1 8.417 0.030 . 1 . . . . 19 LEU H . 10294 1 94 . 1 1 19 19 LEU HA H 1 3.547 0.030 . 1 . . . . 19 LEU HA . 10294 1 95 . 1 1 19 19 LEU HB2 H 1 1.479 0.030 . 2 . . . . 19 LEU HB2 . 10294 1 96 . 1 1 19 19 LEU HB3 H 1 1.819 0.030 . 2 . . . . 19 LEU HB3 . 10294 1 97 . 1 1 19 19 LEU HD11 H 1 0.881 0.030 . 1 . . . . 19 LEU HD1 . 10294 1 98 . 1 1 19 19 LEU HD12 H 1 0.881 0.030 . 1 . . . . 19 LEU HD1 . 10294 1 99 . 1 1 19 19 LEU HD13 H 1 0.881 0.030 . 1 . . . . 19 LEU HD1 . 10294 1 100 . 1 1 19 19 LEU HD21 H 1 0.715 0.030 . 1 . . . . 19 LEU HD2 . 10294 1 101 . 1 1 19 19 LEU HD22 H 1 0.715 0.030 . 1 . . . . 19 LEU HD2 . 10294 1 102 . 1 1 19 19 LEU HD23 H 1 0.715 0.030 . 1 . . . . 19 LEU HD2 . 10294 1 103 . 1 1 19 19 LEU HG H 1 1.660 0.030 . 1 . . . . 19 LEU HG . 10294 1 104 . 1 1 19 19 LEU C C 13 178.617 0.300 . 1 . . . . 19 LEU C . 10294 1 105 . 1 1 19 19 LEU CA C 13 57.745 0.300 . 1 . . . . 19 LEU CA . 10294 1 106 . 1 1 19 19 LEU CB C 13 41.584 0.300 . 1 . . . . 19 LEU CB . 10294 1 107 . 1 1 19 19 LEU CD1 C 13 25.320 0.300 . 2 . . . . 19 LEU CD1 . 10294 1 108 . 1 1 19 19 LEU CD2 C 13 23.363 0.300 . 2 . . . . 19 LEU CD2 . 10294 1 109 . 1 1 19 19 LEU CG C 13 26.333 0.300 . 1 . . . . 19 LEU CG . 10294 1 110 . 1 1 19 19 LEU N N 15 118.955 0.300 . 1 . . . . 19 LEU N . 10294 1 111 . 1 1 20 20 ASP H H 1 8.537 0.030 . 1 . . . . 20 ASP H . 10294 1 112 . 1 1 20 20 ASP HA H 1 4.291 0.030 . 1 . . . . 20 ASP HA . 10294 1 113 . 1 1 20 20 ASP HB2 H 1 2.733 0.030 . 2 . . . . 20 ASP HB2 . 10294 1 114 . 1 1 20 20 ASP HB3 H 1 2.586 0.030 . 2 . . . . 20 ASP HB3 . 10294 1 115 . 1 1 20 20 ASP C C 13 179.783 0.300 . 1 . . . . 20 ASP C . 10294 1 116 . 1 1 20 20 ASP CA C 13 57.666 0.300 . 1 . . . . 20 ASP CA . 10294 1 117 . 1 1 20 20 ASP CB C 13 39.965 0.300 . 1 . . . . 20 ASP CB . 10294 1 118 . 1 1 20 20 ASP N N 15 118.356 0.300 . 1 . . . . 20 ASP N . 10294 1 119 . 1 1 21 21 VAL H H 1 7.006 0.030 . 1 . . . . 21 VAL H . 10294 1 120 . 1 1 21 21 VAL HA H 1 3.667 0.030 . 1 . . . . 21 VAL HA . 10294 1 121 . 1 1 21 21 VAL HB H 1 2.047 0.030 . 1 . . . . 21 VAL HB . 10294 1 122 . 1 1 21 21 VAL HG11 H 1 0.888 0.030 . 1 . . . . 21 VAL HG1 . 10294 1 123 . 1 1 21 21 VAL HG12 H 1 0.888 0.030 . 1 . . . . 21 VAL HG1 . 10294 1 124 . 1 1 21 21 VAL HG13 H 1 0.888 0.030 . 1 . . . . 21 VAL HG1 . 10294 1 125 . 1 1 21 21 VAL HG21 H 1 1.035 0.030 . 1 . . . . 21 VAL HG2 . 10294 1 126 . 1 1 21 21 VAL HG22 H 1 1.035 0.030 . 1 . . . . 21 VAL HG2 . 10294 1 127 . 1 1 21 21 VAL HG23 H 1 1.035 0.030 . 1 . . . . 21 VAL HG2 . 10294 1 128 . 1 1 21 21 VAL C C 13 178.836 0.300 . 1 . . . . 21 VAL C . 10294 1 129 . 1 1 21 21 VAL CA C 13 66.062 0.300 . 1 . . . . 21 VAL CA . 10294 1 130 . 1 1 21 21 VAL CB C 13 32.006 0.300 . 1 . . . . 21 VAL CB . 10294 1 131 . 1 1 21 21 VAL CG1 C 13 22.397 0.300 . 2 . . . . 21 VAL CG1 . 10294 1 132 . 1 1 21 21 VAL CG2 C 13 22.717 0.300 . 2 . . . . 21 VAL CG2 . 10294 1 133 . 1 1 21 21 VAL N N 15 120.507 0.300 . 1 . . . . 21 VAL N . 10294 1 134 . 1 1 22 22 LEU H H 1 7.638 0.030 . 1 . . . . 22 LEU H . 10294 1 135 . 1 1 22 22 LEU HA H 1 3.557 0.030 . 1 . . . . 22 LEU HA . 10294 1 136 . 1 1 22 22 LEU HB2 H 1 -0.890 0.030 . 2 . . . . 22 LEU HB2 . 10294 1 137 . 1 1 22 22 LEU HB3 H 1 0.540 0.030 . 2 . . . . 22 LEU HB3 . 10294 1 138 . 1 1 22 22 LEU HD11 H 1 -0.702 0.030 . 1 . . . . 22 LEU HD1 . 10294 1 139 . 1 1 22 22 LEU HD12 H 1 -0.702 0.030 . 1 . . . . 22 LEU HD1 . 10294 1 140 . 1 1 22 22 LEU HD13 H 1 -0.702 0.030 . 1 . . . . 22 LEU HD1 . 10294 1 141 . 1 1 22 22 LEU HD21 H 1 0.505 0.030 . 1 . . . . 22 LEU HD2 . 10294 1 142 . 1 1 22 22 LEU HD22 H 1 0.505 0.030 . 1 . . . . 22 LEU HD2 . 10294 1 143 . 1 1 22 22 LEU HD23 H 1 0.505 0.030 . 1 . . . . 22 LEU HD2 . 10294 1 144 . 1 1 22 22 LEU HG H 1 1.087 0.030 . 1 . . . . 22 LEU HG . 10294 1 145 . 1 1 22 22 LEU C C 13 178.277 0.300 . 1 . . . . 22 LEU C . 10294 1 146 . 1 1 22 22 LEU CA C 13 58.595 0.300 . 1 . . . . 22 LEU CA . 10294 1 147 . 1 1 22 22 LEU CB C 13 38.402 0.300 . 1 . . . . 22 LEU CB . 10294 1 148 . 1 1 22 22 LEU CD1 C 13 23.871 0.300 . 2 . . . . 22 LEU CD1 . 10294 1 149 . 1 1 22 22 LEU CD2 C 13 23.522 0.300 . 2 . . . . 22 LEU CD2 . 10294 1 150 . 1 1 22 22 LEU CG C 13 26.115 0.300 . 1 . . . . 22 LEU CG . 10294 1 151 . 1 1 22 22 LEU N N 15 122.874 0.300 . 1 . . . . 22 LEU N . 10294 1 152 . 1 1 23 23 GLU H H 1 8.880 0.030 . 1 . . . . 23 GLU H . 10294 1 153 . 1 1 23 23 GLU HA H 1 4.162 0.030 . 1 . . . . 23 GLU HA . 10294 1 154 . 1 1 23 23 GLU HB2 H 1 2.062 0.030 . 1 . . . . 23 GLU HB2 . 10294 1 155 . 1 1 23 23 GLU HB3 H 1 2.062 0.030 . 1 . . . . 23 GLU HB3 . 10294 1 156 . 1 1 23 23 GLU HG2 H 1 2.442 0.030 . 2 . . . . 23 GLU HG2 . 10294 1 157 . 1 1 23 23 GLU C C 13 180.123 0.300 . 1 . . . . 23 GLU C . 10294 1 158 . 1 1 23 23 GLU CA C 13 59.182 0.300 . 1 . . . . 23 GLU CA . 10294 1 159 . 1 1 23 23 GLU CB C 13 29.111 0.300 . 1 . . . . 23 GLU CB . 10294 1 160 . 1 1 23 23 GLU CG C 13 35.929 0.300 . 1 . . . . 23 GLU CG . 10294 1 161 . 1 1 23 23 GLU N N 15 117.314 0.300 . 1 . . . . 23 GLU N . 10294 1 162 . 1 1 24 24 ALA H H 1 7.614 0.030 . 1 . . . . 24 ALA H . 10294 1 163 . 1 1 24 24 ALA HA H 1 4.273 0.030 . 1 . . . . 24 ALA HA . 10294 1 164 . 1 1 24 24 ALA HB1 H 1 1.524 0.030 . 1 . . . . 24 ALA HB . 10294 1 165 . 1 1 24 24 ALA HB2 H 1 1.524 0.030 . 1 . . . . 24 ALA HB . 10294 1 166 . 1 1 24 24 ALA HB3 H 1 1.524 0.030 . 1 . . . . 24 ALA HB . 10294 1 167 . 1 1 24 24 ALA C C 13 180.560 0.300 . 1 . . . . 24 ALA C . 10294 1 168 . 1 1 24 24 ALA CA C 13 55.023 0.300 . 1 . . . . 24 ALA CA . 10294 1 169 . 1 1 24 24 ALA CB C 13 17.775 0.300 . 1 . . . . 24 ALA CB . 10294 1 170 . 1 1 24 24 ALA N N 15 122.032 0.300 . 1 . . . . 24 ALA N . 10294 1 171 . 1 1 25 25 LEU H H 1 7.673 0.030 . 1 . . . . 25 LEU H . 10294 1 172 . 1 1 25 25 LEU HA H 1 4.507 0.030 . 1 . . . . 25 LEU HA . 10294 1 173 . 1 1 25 25 LEU HB2 H 1 1.659 0.030 . 2 . . . . 25 LEU HB2 . 10294 1 174 . 1 1 25 25 LEU HB3 H 1 2.339 0.030 . 2 . . . . 25 LEU HB3 . 10294 1 175 . 1 1 25 25 LEU HD11 H 1 1.128 0.030 . 1 . . . . 25 LEU HD1 . 10294 1 176 . 1 1 25 25 LEU HD12 H 1 1.128 0.030 . 1 . . . . 25 LEU HD1 . 10294 1 177 . 1 1 25 25 LEU HD13 H 1 1.128 0.030 . 1 . . . . 25 LEU HD1 . 10294 1 178 . 1 1 25 25 LEU HD21 H 1 0.884 0.030 . 1 . . . . 25 LEU HD2 . 10294 1 179 . 1 1 25 25 LEU HD22 H 1 0.884 0.030 . 1 . . . . 25 LEU HD2 . 10294 1 180 . 1 1 25 25 LEU HD23 H 1 0.884 0.030 . 1 . . . . 25 LEU HD2 . 10294 1 181 . 1 1 25 25 LEU HG H 1 1.851 0.030 . 1 . . . . 25 LEU HG . 10294 1 182 . 1 1 25 25 LEU C C 13 177.694 0.300 . 1 . . . . 25 LEU C . 10294 1 183 . 1 1 25 25 LEU CA C 13 57.913 0.300 . 1 . . . . 25 LEU CA . 10294 1 184 . 1 1 25 25 LEU CB C 13 40.753 0.300 . 1 . . . . 25 LEU CB . 10294 1 185 . 1 1 25 25 LEU CD1 C 13 23.205 0.300 . 2 . . . . 25 LEU CD1 . 10294 1 186 . 1 1 25 25 LEU CD2 C 13 26.427 0.300 . 2 . . . . 25 LEU CD2 . 10294 1 187 . 1 1 25 25 LEU CG C 13 27.209 0.300 . 1 . . . . 25 LEU CG . 10294 1 188 . 1 1 25 25 LEU N N 15 120.067 0.300 . 1 . . . . 25 LEU N . 10294 1 189 . 1 1 26 26 PHE H H 1 8.839 0.030 . 1 . . . . 26 PHE H . 10294 1 190 . 1 1 26 26 PHE HA H 1 4.765 0.030 . 1 . . . . 26 PHE HA . 10294 1 191 . 1 1 26 26 PHE HB2 H 1 3.265 0.030 . 1 . . . . 26 PHE HB2 . 10294 1 192 . 1 1 26 26 PHE HB3 H 1 3.265 0.030 . 1 . . . . 26 PHE HB3 . 10294 1 193 . 1 1 26 26 PHE HD1 H 1 7.323 0.030 . 1 . . . . 26 PHE HD1 . 10294 1 194 . 1 1 26 26 PHE HD2 H 1 7.323 0.030 . 1 . . . . 26 PHE HD2 . 10294 1 195 . 1 1 26 26 PHE HE1 H 1 7.141 0.030 . 1 . . . . 26 PHE HE1 . 10294 1 196 . 1 1 26 26 PHE HE2 H 1 7.141 0.030 . 1 . . . . 26 PHE HE2 . 10294 1 197 . 1 1 26 26 PHE HZ H 1 6.981 0.030 . 1 . . . . 26 PHE HZ . 10294 1 198 . 1 1 26 26 PHE C C 13 175.800 0.300 . 1 . . . . 26 PHE C . 10294 1 199 . 1 1 26 26 PHE CA C 13 61.017 0.300 . 1 . . . . 26 PHE CA . 10294 1 200 . 1 1 26 26 PHE CB C 13 39.167 0.300 . 1 . . . . 26 PHE CB . 10294 1 201 . 1 1 26 26 PHE CD1 C 13 132.627 0.300 . 1 . . . . 26 PHE CD1 . 10294 1 202 . 1 1 26 26 PHE CD2 C 13 132.627 0.300 . 1 . . . . 26 PHE CD2 . 10294 1 203 . 1 1 26 26 PHE CE1 C 13 130.637 0.300 . 1 . . . . 26 PHE CE1 . 10294 1 204 . 1 1 26 26 PHE CE2 C 13 130.637 0.300 . 1 . . . . 26 PHE CE2 . 10294 1 205 . 1 1 26 26 PHE CZ C 13 128.960 0.300 . 1 . . . . 26 PHE CZ . 10294 1 206 . 1 1 26 26 PHE N N 15 121.428 0.300 . 1 . . . . 26 PHE N . 10294 1 207 . 1 1 27 27 ALA H H 1 7.825 0.030 . 1 . . . . 27 ALA H . 10294 1 208 . 1 1 27 27 ALA HA H 1 4.062 0.030 . 1 . . . . 27 ALA HA . 10294 1 209 . 1 1 27 27 ALA HB1 H 1 1.539 0.030 . 1 . . . . 27 ALA HB . 10294 1 210 . 1 1 27 27 ALA HB2 H 1 1.539 0.030 . 1 . . . . 27 ALA HB . 10294 1 211 . 1 1 27 27 ALA HB3 H 1 1.539 0.030 . 1 . . . . 27 ALA HB . 10294 1 212 . 1 1 27 27 ALA C C 13 179.273 0.300 . 1 . . . . 27 ALA C . 10294 1 213 . 1 1 27 27 ALA CA C 13 53.975 0.300 . 1 . . . . 27 ALA CA . 10294 1 214 . 1 1 27 27 ALA CB C 13 18.276 0.300 . 1 . . . . 27 ALA CB . 10294 1 215 . 1 1 27 27 ALA N N 15 116.175 0.300 . 1 . . . . 27 ALA N . 10294 1 216 . 1 1 28 28 LYS H H 1 7.618 0.030 . 1 . . . . 28 LYS H . 10294 1 217 . 1 1 28 28 LYS HA H 1 4.251 0.030 . 1 . . . . 28 LYS HA . 10294 1 218 . 1 1 28 28 LYS HB2 H 1 2.096 0.030 . 2 . . . . 28 LYS HB2 . 10294 1 219 . 1 1 28 28 LYS HB3 H 1 2.055 0.030 . 2 . . . . 28 LYS HB3 . 10294 1 220 . 1 1 28 28 LYS HD2 H 1 1.732 0.030 . 1 . . . . 28 LYS HD2 . 10294 1 221 . 1 1 28 28 LYS HD3 H 1 1.732 0.030 . 1 . . . . 28 LYS HD3 . 10294 1 222 . 1 1 28 28 LYS HE2 H 1 3.011 0.030 . 2 . . . . 28 LYS HE2 . 10294 1 223 . 1 1 28 28 LYS HG2 H 1 1.446 0.030 . 2 . . . . 28 LYS HG2 . 10294 1 224 . 1 1 28 28 LYS HG3 H 1 1.677 0.030 . 2 . . . . 28 LYS HG3 . 10294 1 225 . 1 1 28 28 LYS C C 13 177.354 0.300 . 1 . . . . 28 LYS C . 10294 1 226 . 1 1 28 28 LYS CA C 13 58.122 0.300 . 1 . . . . 28 LYS CA . 10294 1 227 . 1 1 28 28 LYS CB C 13 33.315 0.300 . 1 . . . . 28 LYS CB . 10294 1 228 . 1 1 28 28 LYS CD C 13 29.392 0.300 . 1 . . . . 28 LYS CD . 10294 1 229 . 1 1 28 28 LYS CE C 13 42.136 0.300 . 1 . . . . 28 LYS CE . 10294 1 230 . 1 1 28 28 LYS CG C 13 25.023 0.300 . 1 . . . . 28 LYS CG . 10294 1 231 . 1 1 28 28 LYS N N 15 118.586 0.300 . 1 . . . . 28 LYS N . 10294 1 232 . 1 1 29 29 THR H H 1 8.820 0.030 . 1 . . . . 29 THR H . 10294 1 233 . 1 1 29 29 THR HA H 1 4.410 0.030 . 1 . . . . 29 THR HA . 10294 1 234 . 1 1 29 29 THR HB H 1 4.223 0.030 . 1 . . . . 29 THR HB . 10294 1 235 . 1 1 29 29 THR HG21 H 1 1.021 0.030 . 1 . . . . 29 THR HG2 . 10294 1 236 . 1 1 29 29 THR HG22 H 1 1.021 0.030 . 1 . . . . 29 THR HG2 . 10294 1 237 . 1 1 29 29 THR HG23 H 1 1.021 0.030 . 1 . . . . 29 THR HG2 . 10294 1 238 . 1 1 29 29 THR C C 13 170.360 0.300 . 1 . . . . 29 THR C . 10294 1 239 . 1 1 29 29 THR CA C 13 59.749 0.300 . 1 . . . . 29 THR CA . 10294 1 240 . 1 1 29 29 THR CB C 13 68.972 0.300 . 1 . . . . 29 THR CB . 10294 1 241 . 1 1 29 29 THR CG2 C 13 19.162 0.300 . 1 . . . . 29 THR CG2 . 10294 1 242 . 1 1 29 29 THR N N 15 116.094 0.300 . 1 . . . . 29 THR N . 10294 1 243 . 1 1 30 30 ARG H H 1 8.203 0.030 . 1 . . . . 30 ARG H . 10294 1 244 . 1 1 30 30 ARG HA H 1 3.957 0.030 . 1 . . . . 30 ARG HA . 10294 1 245 . 1 1 30 30 ARG HB2 H 1 1.429 0.030 . 2 . . . . 30 ARG HB2 . 10294 1 246 . 1 1 30 30 ARG HB3 H 1 1.263 0.030 . 2 . . . . 30 ARG HB3 . 10294 1 247 . 1 1 30 30 ARG HD2 H 1 2.963 0.030 . 2 . . . . 30 ARG HD2 . 10294 1 248 . 1 1 30 30 ARG HD3 H 1 2.847 0.030 . 2 . . . . 30 ARG HD3 . 10294 1 249 . 1 1 30 30 ARG HG2 H 1 0.447 0.030 . 2 . . . . 30 ARG HG2 . 10294 1 250 . 1 1 30 30 ARG HG3 H 1 1.364 0.030 . 2 . . . . 30 ARG HG3 . 10294 1 251 . 1 1 30 30 ARG C C 13 175.120 0.300 . 1 . . . . 30 ARG C . 10294 1 252 . 1 1 30 30 ARG CA C 13 56.750 0.300 . 1 . . . . 30 ARG CA . 10294 1 253 . 1 1 30 30 ARG CB C 13 30.444 0.300 . 1 . . . . 30 ARG CB . 10294 1 254 . 1 1 30 30 ARG CD C 13 43.857 0.300 . 1 . . . . 30 ARG CD . 10294 1 255 . 1 1 30 30 ARG CG C 13 27.350 0.300 . 1 . . . . 30 ARG CG . 10294 1 256 . 1 1 30 30 ARG N N 15 122.783 0.300 . 1 . . . . 30 ARG N . 10294 1 257 . 1 1 31 31 TYR H H 1 8.002 0.030 . 1 . . . . 31 TYR H . 10294 1 258 . 1 1 31 31 TYR HA H 1 4.686 0.030 . 1 . . . . 31 TYR HA . 10294 1 259 . 1 1 31 31 TYR HB2 H 1 3.031 0.030 . 2 . . . . 31 TYR HB2 . 10294 1 260 . 1 1 31 31 TYR HB3 H 1 2.539 0.030 . 2 . . . . 31 TYR HB3 . 10294 1 261 . 1 1 31 31 TYR HD1 H 1 7.054 0.030 . 1 . . . . 31 TYR HD1 . 10294 1 262 . 1 1 31 31 TYR HD2 H 1 7.054 0.030 . 1 . . . . 31 TYR HD2 . 10294 1 263 . 1 1 31 31 TYR HE1 H 1 6.774 0.030 . 1 . . . . 31 TYR HE1 . 10294 1 264 . 1 1 31 31 TYR HE2 H 1 6.774 0.030 . 1 . . . . 31 TYR HE2 . 10294 1 265 . 1 1 31 31 TYR C C 13 172.910 0.300 . 1 . . . . 31 TYR C . 10294 1 266 . 1 1 31 31 TYR CA C 13 55.303 0.300 . 1 . . . . 31 TYR CA . 10294 1 267 . 1 1 31 31 TYR CB C 13 39.057 0.300 . 1 . . . . 31 TYR CB . 10294 1 268 . 1 1 31 31 TYR CD1 C 13 133.587 0.300 . 1 . . . . 31 TYR CD1 . 10294 1 269 . 1 1 31 31 TYR CD2 C 13 133.587 0.300 . 1 . . . . 31 TYR CD2 . 10294 1 270 . 1 1 31 31 TYR CE1 C 13 118.015 0.300 . 1 . . . . 31 TYR CE1 . 10294 1 271 . 1 1 31 31 TYR CE2 C 13 118.015 0.300 . 1 . . . . 31 TYR CE2 . 10294 1 272 . 1 1 31 31 TYR N N 15 114.710 0.300 . 1 . . . . 31 TYR N . 10294 1 273 . 1 1 32 32 PRO HA H 1 4.427 0.030 . 1 . . . . 32 PRO HA . 10294 1 274 . 1 1 32 32 PRO HB2 H 1 1.603 0.030 . 1 . . . . 32 PRO HB2 . 10294 1 275 . 1 1 32 32 PRO HB3 H 1 1.603 0.030 . 1 . . . . 32 PRO HB3 . 10294 1 276 . 1 1 32 32 PRO HD2 H 1 3.084 0.030 . 2 . . . . 32 PRO HD2 . 10294 1 277 . 1 1 32 32 PRO HD3 H 1 2.999 0.030 . 2 . . . . 32 PRO HD3 . 10294 1 278 . 1 1 32 32 PRO HG2 H 1 0.092 0.030 . 2 . . . . 32 PRO HG2 . 10294 1 279 . 1 1 32 32 PRO HG3 H 1 1.069 0.030 . 2 . . . . 32 PRO HG3 . 10294 1 280 . 1 1 32 32 PRO C C 13 177.257 0.300 . 1 . . . . 32 PRO C . 10294 1 281 . 1 1 32 32 PRO CA C 13 62.838 0.300 . 1 . . . . 32 PRO CA . 10294 1 282 . 1 1 32 32 PRO CB C 13 32.082 0.300 . 1 . . . . 32 PRO CB . 10294 1 283 . 1 1 32 32 PRO CD C 13 51.000 0.300 . 1 . . . . 32 PRO CD . 10294 1 284 . 1 1 32 32 PRO CG C 13 25.589 0.300 . 1 . . . . 32 PRO CG . 10294 1 285 . 1 1 33 33 ASP H H 1 7.804 0.030 . 1 . . . . 33 ASP H . 10294 1 286 . 1 1 33 33 ASP HA H 1 4.509 0.030 . 1 . . . . 33 ASP HA . 10294 1 287 . 1 1 33 33 ASP HB2 H 1 3.223 0.030 . 2 . . . . 33 ASP HB2 . 10294 1 288 . 1 1 33 33 ASP HB3 H 1 2.833 0.030 . 2 . . . . 33 ASP HB3 . 10294 1 289 . 1 1 33 33 ASP C C 13 176.286 0.300 . 1 . . . . 33 ASP C . 10294 1 290 . 1 1 33 33 ASP CA C 13 52.894 0.300 . 1 . . . . 33 ASP CA . 10294 1 291 . 1 1 33 33 ASP CB C 13 41.475 0.300 . 1 . . . . 33 ASP CB . 10294 1 292 . 1 1 33 33 ASP N N 15 123.553 0.300 . 1 . . . . 33 ASP N . 10294 1 293 . 1 1 34 34 ILE H H 1 8.429 0.030 . 1 . . . . 34 ILE H . 10294 1 294 . 1 1 34 34 ILE HA H 1 3.700 0.030 . 1 . . . . 34 ILE HA . 10294 1 295 . 1 1 34 34 ILE HB H 1 1.651 0.030 . 1 . . . . 34 ILE HB . 10294 1 296 . 1 1 34 34 ILE HD11 H 1 0.789 0.030 . 1 . . . . 34 ILE HD1 . 10294 1 297 . 1 1 34 34 ILE HD12 H 1 0.789 0.030 . 1 . . . . 34 ILE HD1 . 10294 1 298 . 1 1 34 34 ILE HD13 H 1 0.789 0.030 . 1 . . . . 34 ILE HD1 . 10294 1 299 . 1 1 34 34 ILE HG12 H 1 1.118 0.030 . 1 . . . . 34 ILE HG12 . 10294 1 300 . 1 1 34 34 ILE HG13 H 1 1.118 0.030 . 1 . . . . 34 ILE HG13 . 10294 1 301 . 1 1 34 34 ILE HG21 H 1 0.369 0.030 . 1 . . . . 34 ILE HG2 . 10294 1 302 . 1 1 34 34 ILE HG22 H 1 0.369 0.030 . 1 . . . . 34 ILE HG2 . 10294 1 303 . 1 1 34 34 ILE HG23 H 1 0.369 0.030 . 1 . . . . 34 ILE HG2 . 10294 1 304 . 1 1 34 34 ILE C C 13 175.412 0.300 . 1 . . . . 34 ILE C . 10294 1 305 . 1 1 34 34 ILE CA C 13 63.602 0.300 . 1 . . . . 34 ILE CA . 10294 1 306 . 1 1 34 34 ILE CB C 13 37.846 0.300 . 1 . . . . 34 ILE CB . 10294 1 307 . 1 1 34 34 ILE CD1 C 13 14.223 0.300 . 1 . . . . 34 ILE CD1 . 10294 1 308 . 1 1 34 34 ILE CG1 C 13 29.236 0.300 . 1 . . . . 34 ILE CG1 . 10294 1 309 . 1 1 34 34 ILE CG2 C 13 16.579 0.300 . 1 . . . . 34 ILE CG2 . 10294 1 310 . 1 1 34 34 ILE N N 15 117.269 0.300 . 1 . . . . 34 ILE N . 10294 1 311 . 1 1 35 35 PHE H H 1 7.086 0.030 . 1 . . . . 35 PHE H . 10294 1 312 . 1 1 35 35 PHE HA H 1 4.287 0.030 . 1 . . . . 35 PHE HA . 10294 1 313 . 1 1 35 35 PHE HB2 H 1 3.270 0.030 . 2 . . . . 35 PHE HB2 . 10294 1 314 . 1 1 35 35 PHE HB3 H 1 3.199 0.030 . 2 . . . . 35 PHE HB3 . 10294 1 315 . 1 1 35 35 PHE HD1 H 1 7.341 0.030 . 1 . . . . 35 PHE HD1 . 10294 1 316 . 1 1 35 35 PHE HD2 H 1 7.341 0.030 . 1 . . . . 35 PHE HD2 . 10294 1 317 . 1 1 35 35 PHE HE1 H 1 7.384 0.030 . 1 . . . . 35 PHE HE1 . 10294 1 318 . 1 1 35 35 PHE HE2 H 1 7.384 0.030 . 1 . . . . 35 PHE HE2 . 10294 1 319 . 1 1 35 35 PHE HZ H 1 7.293 0.030 . 1 . . . . 35 PHE HZ . 10294 1 320 . 1 1 35 35 PHE C C 13 179.589 0.300 . 1 . . . . 35 PHE C . 10294 1 321 . 1 1 35 35 PHE CA C 13 60.676 0.300 . 1 . . . . 35 PHE CA . 10294 1 322 . 1 1 35 35 PHE CB C 13 37.731 0.300 . 1 . . . . 35 PHE CB . 10294 1 323 . 1 1 35 35 PHE CD1 C 13 131.755 0.300 . 1 . . . . 35 PHE CD1 . 10294 1 324 . 1 1 35 35 PHE CD2 C 13 131.755 0.300 . 1 . . . . 35 PHE CD2 . 10294 1 325 . 1 1 35 35 PHE CE1 C 13 131.822 0.300 . 1 . . . . 35 PHE CE1 . 10294 1 326 . 1 1 35 35 PHE CE2 C 13 131.822 0.300 . 1 . . . . 35 PHE CE2 . 10294 1 327 . 1 1 35 35 PHE CZ C 13 129.944 0.300 . 1 . . . . 35 PHE CZ . 10294 1 328 . 1 1 35 35 PHE N N 15 121.852 0.300 . 1 . . . . 35 PHE N . 10294 1 329 . 1 1 36 36 MET H H 1 8.559 0.030 . 1 . . . . 36 MET H . 10294 1 330 . 1 1 36 36 MET HA H 1 4.216 0.030 . 1 . . . . 36 MET HA . 10294 1 331 . 1 1 36 36 MET HB2 H 1 2.165 0.030 . 2 . . . . 36 MET HB2 . 10294 1 332 . 1 1 36 36 MET HB3 H 1 1.959 0.030 . 2 . . . . 36 MET HB3 . 10294 1 333 . 1 1 36 36 MET HE1 H 1 2.212 0.030 . 1 . . . . 36 MET HE . 10294 1 334 . 1 1 36 36 MET HE2 H 1 2.212 0.030 . 1 . . . . 36 MET HE . 10294 1 335 . 1 1 36 36 MET HE3 H 1 2.212 0.030 . 1 . . . . 36 MET HE . 10294 1 336 . 1 1 36 36 MET HG2 H 1 2.669 0.030 . 2 . . . . 36 MET HG2 . 10294 1 337 . 1 1 36 36 MET HG3 H 1 2.971 0.030 . 2 . . . . 36 MET HG3 . 10294 1 338 . 1 1 36 36 MET C C 13 179.904 0.300 . 1 . . . . 36 MET C . 10294 1 339 . 1 1 36 36 MET CA C 13 58.849 0.300 . 1 . . . . 36 MET CA . 10294 1 340 . 1 1 36 36 MET CB C 13 33.757 0.300 . 1 . . . . 36 MET CB . 10294 1 341 . 1 1 36 36 MET CE C 13 17.984 0.300 . 1 . . . . 36 MET CE . 10294 1 342 . 1 1 36 36 MET CG C 13 32.994 0.300 . 1 . . . . 36 MET CG . 10294 1 343 . 1 1 36 36 MET N N 15 120.502 0.300 . 1 . . . . 36 MET N . 10294 1 344 . 1 1 37 37 ARG H H 1 8.495 0.030 . 1 . . . . 37 ARG H . 10294 1 345 . 1 1 37 37 ARG HA H 1 3.839 0.030 . 1 . . . . 37 ARG HA . 10294 1 346 . 1 1 37 37 ARG HB2 H 1 1.664 0.030 . 2 . . . . 37 ARG HB2 . 10294 1 347 . 1 1 37 37 ARG HB3 H 1 2.168 0.030 . 2 . . . . 37 ARG HB3 . 10294 1 348 . 1 1 37 37 ARG HD2 H 1 2.774 0.030 . 2 . . . . 37 ARG HD2 . 10294 1 349 . 1 1 37 37 ARG HD3 H 1 3.288 0.030 . 2 . . . . 37 ARG HD3 . 10294 1 350 . 1 1 37 37 ARG HG2 H 1 0.589 0.030 . 2 . . . . 37 ARG HG2 . 10294 1 351 . 1 1 37 37 ARG HG3 H 1 1.984 0.030 . 2 . . . . 37 ARG HG3 . 10294 1 352 . 1 1 37 37 ARG C C 13 178.326 0.300 . 1 . . . . 37 ARG C . 10294 1 353 . 1 1 37 37 ARG CA C 13 60.738 0.300 . 1 . . . . 37 ARG CA . 10294 1 354 . 1 1 37 37 ARG CB C 13 31.601 0.300 . 1 . . . . 37 ARG CB . 10294 1 355 . 1 1 37 37 ARG CD C 13 43.849 0.300 . 1 . . . . 37 ARG CD . 10294 1 356 . 1 1 37 37 ARG CG C 13 29.458 0.300 . 1 . . . . 37 ARG CG . 10294 1 357 . 1 1 37 37 ARG N N 15 117.379 0.300 . 1 . . . . 37 ARG N . 10294 1 358 . 1 1 38 38 GLU H H 1 8.793 0.030 . 1 . . . . 38 GLU H . 10294 1 359 . 1 1 38 38 GLU HA H 1 4.028 0.030 . 1 . . . . 38 GLU HA . 10294 1 360 . 1 1 38 38 GLU HB2 H 1 2.036 0.030 . 2 . . . . 38 GLU HB2 . 10294 1 361 . 1 1 38 38 GLU HB3 H 1 2.198 0.030 . 2 . . . . 38 GLU HB3 . 10294 1 362 . 1 1 38 38 GLU HG2 H 1 2.526 0.030 . 2 . . . . 38 GLU HG2 . 10294 1 363 . 1 1 38 38 GLU HG3 H 1 2.229 0.030 . 2 . . . . 38 GLU HG3 . 10294 1 364 . 1 1 38 38 GLU C C 13 179.079 0.300 . 1 . . . . 38 GLU C . 10294 1 365 . 1 1 38 38 GLU CA C 13 59.682 0.300 . 1 . . . . 38 GLU CA . 10294 1 366 . 1 1 38 38 GLU CB C 13 29.555 0.300 . 1 . . . . 38 GLU CB . 10294 1 367 . 1 1 38 38 GLU CG C 13 36.841 0.300 . 1 . . . . 38 GLU CG . 10294 1 368 . 1 1 38 38 GLU N N 15 119.411 0.300 . 1 . . . . 38 GLU N . 10294 1 369 . 1 1 39 39 GLU H H 1 7.909 0.030 . 1 . . . . 39 GLU H . 10294 1 370 . 1 1 39 39 GLU HA H 1 4.090 0.030 . 1 . . . . 39 GLU HA . 10294 1 371 . 1 1 39 39 GLU HB2 H 1 2.165 0.030 . 1 . . . . 39 GLU HB2 . 10294 1 372 . 1 1 39 39 GLU HB3 H 1 2.165 0.030 . 1 . . . . 39 GLU HB3 . 10294 1 373 . 1 1 39 39 GLU HG2 H 1 2.367 0.030 . 2 . . . . 39 GLU HG2 . 10294 1 374 . 1 1 39 39 GLU HG3 H 1 2.119 0.030 . 2 . . . . 39 GLU HG3 . 10294 1 375 . 1 1 39 39 GLU C C 13 179.662 0.300 . 1 . . . . 39 GLU C . 10294 1 376 . 1 1 39 39 GLU CA C 13 59.776 0.300 . 1 . . . . 39 GLU CA . 10294 1 377 . 1 1 39 39 GLU CB C 13 29.688 0.300 . 1 . . . . 39 GLU CB . 10294 1 378 . 1 1 39 39 GLU CG C 13 36.454 0.300 . 1 . . . . 39 GLU CG . 10294 1 379 . 1 1 39 39 GLU N N 15 119.625 0.300 . 1 . . . . 39 GLU N . 10294 1 380 . 1 1 40 40 VAL H H 1 7.732 0.030 . 1 . . . . 40 VAL H . 10294 1 381 . 1 1 40 40 VAL HA H 1 3.836 0.030 . 1 . . . . 40 VAL HA . 10294 1 382 . 1 1 40 40 VAL HB H 1 2.163 0.030 . 1 . . . . 40 VAL HB . 10294 1 383 . 1 1 40 40 VAL HG11 H 1 1.110 0.030 . 1 . . . . 40 VAL HG1 . 10294 1 384 . 1 1 40 40 VAL HG12 H 1 1.110 0.030 . 1 . . . . 40 VAL HG1 . 10294 1 385 . 1 1 40 40 VAL HG13 H 1 1.110 0.030 . 1 . . . . 40 VAL HG1 . 10294 1 386 . 1 1 40 40 VAL HG21 H 1 1.023 0.030 . 1 . . . . 40 VAL HG2 . 10294 1 387 . 1 1 40 40 VAL HG22 H 1 1.023 0.030 . 1 . . . . 40 VAL HG2 . 10294 1 388 . 1 1 40 40 VAL HG23 H 1 1.023 0.030 . 1 . . . . 40 VAL HG2 . 10294 1 389 . 1 1 40 40 VAL C C 13 176.674 0.300 . 1 . . . . 40 VAL C . 10294 1 390 . 1 1 40 40 VAL CA C 13 65.856 0.300 . 1 . . . . 40 VAL CA . 10294 1 391 . 1 1 40 40 VAL CB C 13 31.416 0.300 . 1 . . . . 40 VAL CB . 10294 1 392 . 1 1 40 40 VAL CG1 C 13 24.524 0.300 . 2 . . . . 40 VAL CG1 . 10294 1 393 . 1 1 40 40 VAL CG2 C 13 22.581 0.300 . 2 . . . . 40 VAL CG2 . 10294 1 394 . 1 1 40 40 VAL N N 15 118.226 0.300 . 1 . . . . 40 VAL N . 10294 1 395 . 1 1 41 41 ALA H H 1 8.405 0.030 . 1 . . . . 41 ALA H . 10294 1 396 . 1 1 41 41 ALA HA H 1 3.843 0.030 . 1 . . . . 41 ALA HA . 10294 1 397 . 1 1 41 41 ALA HB1 H 1 1.677 0.030 . 1 . . . . 41 ALA HB . 10294 1 398 . 1 1 41 41 ALA HB2 H 1 1.677 0.030 . 1 . . . . 41 ALA HB . 10294 1 399 . 1 1 41 41 ALA HB3 H 1 1.677 0.030 . 1 . . . . 41 ALA HB . 10294 1 400 . 1 1 41 41 ALA C C 13 179.856 0.300 . 1 . . . . 41 ALA C . 10294 1 401 . 1 1 41 41 ALA CA C 13 56.009 0.300 . 1 . . . . 41 ALA CA . 10294 1 402 . 1 1 41 41 ALA CB C 13 17.646 0.300 . 1 . . . . 41 ALA CB . 10294 1 403 . 1 1 41 41 ALA N N 15 124.532 0.300 . 1 . . . . 41 ALA N . 10294 1 404 . 1 1 42 42 LEU H H 1 7.711 0.030 . 1 . . . . 42 LEU H . 10294 1 405 . 1 1 42 42 LEU HA H 1 4.199 0.030 . 1 . . . . 42 LEU HA . 10294 1 406 . 1 1 42 42 LEU HB2 H 1 1.873 0.030 . 2 . . . . 42 LEU HB2 . 10294 1 407 . 1 1 42 42 LEU HB3 H 1 1.690 0.030 . 2 . . . . 42 LEU HB3 . 10294 1 408 . 1 1 42 42 LEU HD11 H 1 0.965 0.030 . 1 . . . . 42 LEU HD1 . 10294 1 409 . 1 1 42 42 LEU HD12 H 1 0.965 0.030 . 1 . . . . 42 LEU HD1 . 10294 1 410 . 1 1 42 42 LEU HD13 H 1 0.965 0.030 . 1 . . . . 42 LEU HD1 . 10294 1 411 . 1 1 42 42 LEU HD21 H 1 0.944 0.030 . 1 . . . . 42 LEU HD2 . 10294 1 412 . 1 1 42 42 LEU HD22 H 1 0.944 0.030 . 1 . . . . 42 LEU HD2 . 10294 1 413 . 1 1 42 42 LEU HD23 H 1 0.944 0.030 . 1 . . . . 42 LEU HD2 . 10294 1 414 . 1 1 42 42 LEU HG H 1 1.815 0.030 . 1 . . . . 42 LEU HG . 10294 1 415 . 1 1 42 42 LEU C C 13 180.317 0.300 . 1 . . . . 42 LEU C . 10294 1 416 . 1 1 42 42 LEU CA C 13 57.484 0.300 . 1 . . . . 42 LEU CA . 10294 1 417 . 1 1 42 42 LEU CB C 13 42.346 0.300 . 1 . . . . 42 LEU CB . 10294 1 418 . 1 1 42 42 LEU CD1 C 13 24.874 0.300 . 2 . . . . 42 LEU CD1 . 10294 1 419 . 1 1 42 42 LEU CD2 C 13 23.897 0.300 . 2 . . . . 42 LEU CD2 . 10294 1 420 . 1 1 42 42 LEU CG C 13 27.000 0.300 . 1 . . . . 42 LEU CG . 10294 1 421 . 1 1 42 42 LEU N N 15 116.217 0.300 . 1 . . . . 42 LEU N . 10294 1 422 . 1 1 43 43 LYS H H 1 7.615 0.030 . 1 . . . . 43 LYS H . 10294 1 423 . 1 1 43 43 LYS HA H 1 4.133 0.030 . 1 . . . . 43 LYS HA . 10294 1 424 . 1 1 43 43 LYS HB2 H 1 2.062 0.030 . 2 . . . . 43 LYS HB2 . 10294 1 425 . 1 1 43 43 LYS HB3 H 1 2.012 0.030 . 2 . . . . 43 LYS HB3 . 10294 1 426 . 1 1 43 43 LYS HD2 H 1 1.696 0.030 . 1 . . . . 43 LYS HD2 . 10294 1 427 . 1 1 43 43 LYS HD3 H 1 1.696 0.030 . 1 . . . . 43 LYS HD3 . 10294 1 428 . 1 1 43 43 LYS HE2 H 1 2.974 0.030 . 1 . . . . 43 LYS HE2 . 10294 1 429 . 1 1 43 43 LYS HE3 H 1 2.974 0.030 . 1 . . . . 43 LYS HE3 . 10294 1 430 . 1 1 43 43 LYS HG2 H 1 1.669 0.030 . 2 . . . . 43 LYS HG2 . 10294 1 431 . 1 1 43 43 LYS HG3 H 1 1.507 0.030 . 2 . . . . 43 LYS HG3 . 10294 1 432 . 1 1 43 43 LYS C C 13 178.933 0.300 . 1 . . . . 43 LYS C . 10294 1 433 . 1 1 43 43 LYS CA C 13 59.269 0.300 . 1 . . . . 43 LYS CA . 10294 1 434 . 1 1 43 43 LYS CB C 13 33.232 0.300 . 1 . . . . 43 LYS CB . 10294 1 435 . 1 1 43 43 LYS CD C 13 29.528 0.300 . 1 . . . . 43 LYS CD . 10294 1 436 . 1 1 43 43 LYS CE C 13 42.099 0.300 . 1 . . . . 43 LYS CE . 10294 1 437 . 1 1 43 43 LYS CG C 13 25.393 0.300 . 1 . . . . 43 LYS CG . 10294 1 438 . 1 1 43 43 LYS N N 15 118.909 0.300 . 1 . . . . 43 LYS N . 10294 1 439 . 1 1 44 44 ILE H H 1 8.057 0.030 . 1 . . . . 44 ILE H . 10294 1 440 . 1 1 44 44 ILE HA H 1 4.638 0.030 . 1 . . . . 44 ILE HA . 10294 1 441 . 1 1 44 44 ILE HB H 1 2.272 0.030 . 1 . . . . 44 ILE HB . 10294 1 442 . 1 1 44 44 ILE HD11 H 1 0.641 0.030 . 1 . . . . 44 ILE HD1 . 10294 1 443 . 1 1 44 44 ILE HD12 H 1 0.641 0.030 . 1 . . . . 44 ILE HD1 . 10294 1 444 . 1 1 44 44 ILE HD13 H 1 0.641 0.030 . 1 . . . . 44 ILE HD1 . 10294 1 445 . 1 1 44 44 ILE HG12 H 1 1.792 0.030 . 2 . . . . 44 ILE HG12 . 10294 1 446 . 1 1 44 44 ILE HG13 H 1 1.202 0.030 . 2 . . . . 44 ILE HG13 . 10294 1 447 . 1 1 44 44 ILE HG21 H 1 0.950 0.030 . 1 . . . . 44 ILE HG2 . 10294 1 448 . 1 1 44 44 ILE HG22 H 1 0.950 0.030 . 1 . . . . 44 ILE HG2 . 10294 1 449 . 1 1 44 44 ILE HG23 H 1 0.950 0.030 . 1 . . . . 44 ILE HG2 . 10294 1 450 . 1 1 44 44 ILE C C 13 174.853 0.300 . 1 . . . . 44 ILE C . 10294 1 451 . 1 1 44 44 ILE CA C 13 60.676 0.300 . 1 . . . . 44 ILE CA . 10294 1 452 . 1 1 44 44 ILE CB C 13 38.258 0.300 . 1 . . . . 44 ILE CB . 10294 1 453 . 1 1 44 44 ILE CD1 C 13 14.981 0.300 . 1 . . . . 44 ILE CD1 . 10294 1 454 . 1 1 44 44 ILE CG1 C 13 23.935 0.300 . 1 . . . . 44 ILE CG1 . 10294 1 455 . 1 1 44 44 ILE CG2 C 13 17.083 0.300 . 1 . . . . 44 ILE CG2 . 10294 1 456 . 1 1 44 44 ILE N N 15 108.541 0.300 . 1 . . . . 44 ILE N . 10294 1 457 . 1 1 45 45 ASN H H 1 7.885 0.030 . 1 . . . . 45 ASN H . 10294 1 458 . 1 1 45 45 ASN HA H 1 4.400 0.030 . 1 . . . . 45 ASN HA . 10294 1 459 . 1 1 45 45 ASN HB2 H 1 2.667 0.030 . 2 . . . . 45 ASN HB2 . 10294 1 460 . 1 1 45 45 ASN HB3 H 1 3.236 0.030 . 2 . . . . 45 ASN HB3 . 10294 1 461 . 1 1 45 45 ASN HD21 H 1 6.787 0.030 . 2 . . . . 45 ASN HD21 . 10294 1 462 . 1 1 45 45 ASN HD22 H 1 7.461 0.030 . 2 . . . . 45 ASN HD22 . 10294 1 463 . 1 1 45 45 ASN C C 13 173.857 0.300 . 1 . . . . 45 ASN C . 10294 1 464 . 1 1 45 45 ASN CA C 13 54.104 0.300 . 1 . . . . 45 ASN CA . 10294 1 465 . 1 1 45 45 ASN CB C 13 37.082 0.300 . 1 . . . . 45 ASN CB . 10294 1 466 . 1 1 45 45 ASN N N 15 119.396 0.300 . 1 . . . . 45 ASN N . 10294 1 467 . 1 1 45 45 ASN ND2 N 15 111.350 0.300 . 1 . . . . 45 ASN ND2 . 10294 1 468 . 1 1 46 46 LEU H H 1 8.195 0.030 . 1 . . . . 46 LEU H . 10294 1 469 . 1 1 46 46 LEU HA H 1 4.961 0.030 . 1 . . . . 46 LEU HA . 10294 1 470 . 1 1 46 46 LEU HB2 H 1 1.232 0.030 . 2 . . . . 46 LEU HB2 . 10294 1 471 . 1 1 46 46 LEU HB3 H 1 1.345 0.030 . 2 . . . . 46 LEU HB3 . 10294 1 472 . 1 1 46 46 LEU HD11 H 1 0.724 0.030 . 1 . . . . 46 LEU HD1 . 10294 1 473 . 1 1 46 46 LEU HD12 H 1 0.724 0.030 . 1 . . . . 46 LEU HD1 . 10294 1 474 . 1 1 46 46 LEU HD13 H 1 0.724 0.030 . 1 . . . . 46 LEU HD1 . 10294 1 475 . 1 1 46 46 LEU HD21 H 1 0.999 0.030 . 1 . . . . 46 LEU HD2 . 10294 1 476 . 1 1 46 46 LEU HD22 H 1 0.999 0.030 . 1 . . . . 46 LEU HD2 . 10294 1 477 . 1 1 46 46 LEU HD23 H 1 0.999 0.030 . 1 . . . . 46 LEU HD2 . 10294 1 478 . 1 1 46 46 LEU HG H 1 1.603 0.030 . 1 . . . . 46 LEU HG . 10294 1 479 . 1 1 46 46 LEU CA C 13 52.101 0.300 . 1 . . . . 46 LEU CA . 10294 1 480 . 1 1 46 46 LEU CB C 13 46.563 0.300 . 1 . . . . 46 LEU CB . 10294 1 481 . 1 1 46 46 LEU CD1 C 13 26.626 0.300 . 2 . . . . 46 LEU CD1 . 10294 1 482 . 1 1 46 46 LEU CD2 C 13 23.954 0.300 . 2 . . . . 46 LEU CD2 . 10294 1 483 . 1 1 46 46 LEU CG C 13 26.643 0.300 . 1 . . . . 46 LEU CG . 10294 1 484 . 1 1 46 46 LEU N N 15 119.142 0.300 . 1 . . . . 46 LEU N . 10294 1 485 . 1 1 47 47 PRO HA H 1 4.547 0.030 . 1 . . . . 47 PRO HA . 10294 1 486 . 1 1 47 47 PRO HB2 H 1 2.000 0.030 . 2 . . . . 47 PRO HB2 . 10294 1 487 . 1 1 47 47 PRO HB3 H 1 2.517 0.030 . 2 . . . . 47 PRO HB3 . 10294 1 488 . 1 1 47 47 PRO HD2 H 1 3.428 0.030 . 2 . . . . 47 PRO HD2 . 10294 1 489 . 1 1 47 47 PRO HD3 H 1 3.881 0.030 . 2 . . . . 47 PRO HD3 . 10294 1 490 . 1 1 47 47 PRO HG2 H 1 2.099 0.030 . 1 . . . . 47 PRO HG2 . 10294 1 491 . 1 1 47 47 PRO HG3 H 1 2.099 0.030 . 1 . . . . 47 PRO HG3 . 10294 1 492 . 1 1 47 47 PRO C C 13 178.350 0.300 . 1 . . . . 47 PRO C . 10294 1 493 . 1 1 47 47 PRO CA C 13 62.434 0.300 . 1 . . . . 47 PRO CA . 10294 1 494 . 1 1 47 47 PRO CB C 13 32.295 0.300 . 1 . . . . 47 PRO CB . 10294 1 495 . 1 1 47 47 PRO CD C 13 50.549 0.300 . 1 . . . . 47 PRO CD . 10294 1 496 . 1 1 47 47 PRO CG C 13 27.930 0.300 . 1 . . . . 47 PRO CG . 10294 1 497 . 1 1 48 48 GLU H H 1 9.242 0.030 . 1 . . . . 48 GLU H . 10294 1 498 . 1 1 48 48 GLU HA H 1 3.689 0.030 . 1 . . . . 48 GLU HA . 10294 1 499 . 1 1 48 48 GLU HB2 H 1 1.952 0.030 . 2 . . . . 48 GLU HB2 . 10294 1 500 . 1 1 48 48 GLU HB3 H 1 2.302 0.030 . 2 . . . . 48 GLU HB3 . 10294 1 501 . 1 1 48 48 GLU HG2 H 1 2.061 0.030 . 2 . . . . 48 GLU HG2 . 10294 1 502 . 1 1 48 48 GLU HG3 H 1 2.355 0.030 . 2 . . . . 48 GLU HG3 . 10294 1 503 . 1 1 48 48 GLU C C 13 178.326 0.300 . 1 . . . . 48 GLU C . 10294 1 504 . 1 1 48 48 GLU CA C 13 61.058 0.300 . 1 . . . . 48 GLU CA . 10294 1 505 . 1 1 48 48 GLU CB C 13 28.537 0.300 . 1 . . . . 48 GLU CB . 10294 1 506 . 1 1 48 48 GLU CG C 13 36.475 0.300 . 1 . . . . 48 GLU CG . 10294 1 507 . 1 1 48 48 GLU N N 15 125.487 0.300 . 1 . . . . 48 GLU N . 10294 1 508 . 1 1 49 49 SER H H 1 8.653 0.030 . 1 . . . . 49 SER H . 10294 1 509 . 1 1 49 49 SER HA H 1 4.058 0.030 . 1 . . . . 49 SER HA . 10294 1 510 . 1 1 49 49 SER HB2 H 1 3.960 0.030 . 2 . . . . 49 SER HB2 . 10294 1 511 . 1 1 49 49 SER HB3 H 1 4.008 0.030 . 2 . . . . 49 SER HB3 . 10294 1 512 . 1 1 49 49 SER C C 13 177.549 0.300 . 1 . . . . 49 SER C . 10294 1 513 . 1 1 49 49 SER CA C 13 61.266 0.300 . 1 . . . . 49 SER CA . 10294 1 514 . 1 1 49 49 SER CB C 13 61.658 0.300 . 1 . . . . 49 SER CB . 10294 1 515 . 1 1 49 49 SER N N 15 113.467 0.300 . 1 . . . . 49 SER N . 10294 1 516 . 1 1 50 50 ARG H H 1 7.489 0.030 . 1 . . . . 50 ARG H . 10294 1 517 . 1 1 50 50 ARG HA H 1 4.344 0.030 . 1 . . . . 50 ARG HA . 10294 1 518 . 1 1 50 50 ARG HB2 H 1 2.114 0.030 . 1 . . . . 50 ARG HB2 . 10294 1 519 . 1 1 50 50 ARG HB3 H 1 2.114 0.030 . 1 . . . . 50 ARG HB3 . 10294 1 520 . 1 1 50 50 ARG HD2 H 1 3.307 0.030 . 2 . . . . 50 ARG HD2 . 10294 1 521 . 1 1 50 50 ARG HD3 H 1 3.270 0.030 . 2 . . . . 50 ARG HD3 . 10294 1 522 . 1 1 50 50 ARG HG2 H 1 1.906 0.030 . 2 . . . . 50 ARG HG2 . 10294 1 523 . 1 1 50 50 ARG HG3 H 1 1.825 0.030 . 2 . . . . 50 ARG HG3 . 10294 1 524 . 1 1 50 50 ARG C C 13 179.467 0.300 . 1 . . . . 50 ARG C . 10294 1 525 . 1 1 50 50 ARG CA C 13 57.575 0.300 . 1 . . . . 50 ARG CA . 10294 1 526 . 1 1 50 50 ARG CB C 13 29.523 0.300 . 1 . . . . 50 ARG CB . 10294 1 527 . 1 1 50 50 ARG CD C 13 42.207 0.300 . 1 . . . . 50 ARG CD . 10294 1 528 . 1 1 50 50 ARG CG C 13 27.159 0.300 . 1 . . . . 50 ARG CG . 10294 1 529 . 1 1 50 50 ARG N N 15 120.329 0.300 . 1 . . . . 50 ARG N . 10294 1 530 . 1 1 51 51 VAL H H 1 7.598 0.030 . 1 . . . . 51 VAL H . 10294 1 531 . 1 1 51 51 VAL HA H 1 3.733 0.030 . 1 . . . . 51 VAL HA . 10294 1 532 . 1 1 51 51 VAL HB H 1 2.675 0.030 . 1 . . . . 51 VAL HB . 10294 1 533 . 1 1 51 51 VAL HG11 H 1 1.131 0.030 . 1 . . . . 51 VAL HG1 . 10294 1 534 . 1 1 51 51 VAL HG12 H 1 1.131 0.030 . 1 . . . . 51 VAL HG1 . 10294 1 535 . 1 1 51 51 VAL HG13 H 1 1.131 0.030 . 1 . . . . 51 VAL HG1 . 10294 1 536 . 1 1 51 51 VAL HG21 H 1 1.030 0.030 . 1 . . . . 51 VAL HG2 . 10294 1 537 . 1 1 51 51 VAL HG22 H 1 1.030 0.030 . 1 . . . . 51 VAL HG2 . 10294 1 538 . 1 1 51 51 VAL HG23 H 1 1.030 0.030 . 1 . . . . 51 VAL HG2 . 10294 1 539 . 1 1 51 51 VAL C C 13 177.767 0.300 . 1 . . . . 51 VAL C . 10294 1 540 . 1 1 51 51 VAL CA C 13 67.082 0.300 . 1 . . . . 51 VAL CA . 10294 1 541 . 1 1 51 51 VAL CB C 13 31.945 0.300 . 1 . . . . 51 VAL CB . 10294 1 542 . 1 1 51 51 VAL CG1 C 13 21.539 0.300 . 2 . . . . 51 VAL CG1 . 10294 1 543 . 1 1 51 51 VAL CG2 C 13 22.725 0.300 . 2 . . . . 51 VAL CG2 . 10294 1 544 . 1 1 51 51 VAL N N 15 121.456 0.300 . 1 . . . . 51 VAL N . 10294 1 545 . 1 1 52 52 GLN H H 1 8.579 0.030 . 1 . . . . 52 GLN H . 10294 1 546 . 1 1 52 52 GLN HA H 1 4.338 0.030 . 1 . . . . 52 GLN HA . 10294 1 547 . 1 1 52 52 GLN HB2 H 1 2.319 0.030 . 2 . . . . 52 GLN HB2 . 10294 1 548 . 1 1 52 52 GLN HB3 H 1 2.264 0.030 . 2 . . . . 52 GLN HB3 . 10294 1 549 . 1 1 52 52 GLN HE21 H 1 6.688 0.030 . 2 . . . . 52 GLN HE21 . 10294 1 550 . 1 1 52 52 GLN HE22 H 1 7.937 0.030 . 2 . . . . 52 GLN HE22 . 10294 1 551 . 1 1 52 52 GLN HG2 H 1 2.486 0.030 . 2 . . . . 52 GLN HG2 . 10294 1 552 . 1 1 52 52 GLN HG3 H 1 2.346 0.030 . 2 . . . . 52 GLN HG3 . 10294 1 553 . 1 1 52 52 GLN C C 13 178.836 0.300 . 1 . . . . 52 GLN C . 10294 1 554 . 1 1 52 52 GLN CA C 13 60.257 0.300 . 1 . . . . 52 GLN CA . 10294 1 555 . 1 1 52 52 GLN CB C 13 28.377 0.300 . 1 . . . . 52 GLN CB . 10294 1 556 . 1 1 52 52 GLN CG C 13 33.514 0.300 . 1 . . . . 52 GLN CG . 10294 1 557 . 1 1 52 52 GLN N N 15 119.679 0.300 . 1 . . . . 52 GLN N . 10294 1 558 . 1 1 52 52 GLN NE2 N 15 111.406 0.300 . 1 . . . . 52 GLN NE2 . 10294 1 559 . 1 1 53 53 VAL H H 1 7.777 0.030 . 1 . . . . 53 VAL H . 10294 1 560 . 1 1 53 53 VAL HA H 1 3.667 0.030 . 1 . . . . 53 VAL HA . 10294 1 561 . 1 1 53 53 VAL HB H 1 2.245 0.030 . 1 . . . . 53 VAL HB . 10294 1 562 . 1 1 53 53 VAL HG11 H 1 1.086 0.030 . 1 . . . . 53 VAL HG1 . 10294 1 563 . 1 1 53 53 VAL HG12 H 1 1.086 0.030 . 1 . . . . 53 VAL HG1 . 10294 1 564 . 1 1 53 53 VAL HG13 H 1 1.086 0.030 . 1 . . . . 53 VAL HG1 . 10294 1 565 . 1 1 53 53 VAL HG21 H 1 1.213 0.030 . 1 . . . . 53 VAL HG2 . 10294 1 566 . 1 1 53 53 VAL HG22 H 1 1.213 0.030 . 1 . . . . 53 VAL HG2 . 10294 1 567 . 1 1 53 53 VAL HG23 H 1 1.213 0.030 . 1 . . . . 53 VAL HG2 . 10294 1 568 . 1 1 53 53 VAL C C 13 177.379 0.300 . 1 . . . . 53 VAL C . 10294 1 569 . 1 1 53 53 VAL CA C 13 67.004 0.300 . 1 . . . . 53 VAL CA . 10294 1 570 . 1 1 53 53 VAL CB C 13 32.237 0.300 . 1 . . . . 53 VAL CB . 10294 1 571 . 1 1 53 53 VAL CG1 C 13 21.671 0.300 . 2 . . . . 53 VAL CG1 . 10294 1 572 . 1 1 53 53 VAL CG2 C 13 23.434 0.300 . 2 . . . . 53 VAL CG2 . 10294 1 573 . 1 1 53 53 VAL N N 15 119.215 0.300 . 1 . . . . 53 VAL N . 10294 1 574 . 1 1 54 54 TRP H H 1 8.177 0.030 . 1 . . . . 54 TRP H . 10294 1 575 . 1 1 54 54 TRP HA H 1 4.074 0.030 . 1 . . . . 54 TRP HA . 10294 1 576 . 1 1 54 54 TRP HB2 H 1 3.499 0.030 . 2 . . . . 54 TRP HB2 . 10294 1 577 . 1 1 54 54 TRP HB3 H 1 3.242 0.030 . 2 . . . . 54 TRP HB3 . 10294 1 578 . 1 1 54 54 TRP HD1 H 1 6.662 0.030 . 1 . . . . 54 TRP HD1 . 10294 1 579 . 1 1 54 54 TRP HE1 H 1 9.159 0.030 . 1 . . . . 54 TRP HE1 . 10294 1 580 . 1 1 54 54 TRP HE3 H 1 6.551 0.030 . 1 . . . . 54 TRP HE3 . 10294 1 581 . 1 1 54 54 TRP HH2 H 1 6.224 0.030 . 1 . . . . 54 TRP HH2 . 10294 1 582 . 1 1 54 54 TRP HZ2 H 1 7.138 0.030 . 1 . . . . 54 TRP HZ2 . 10294 1 583 . 1 1 54 54 TRP HZ3 H 1 5.592 0.030 . 1 . . . . 54 TRP HZ3 . 10294 1 584 . 1 1 54 54 TRP C C 13 179.589 0.300 . 1 . . . . 54 TRP C . 10294 1 585 . 1 1 54 54 TRP CA C 13 63.273 0.300 . 1 . . . . 54 TRP CA . 10294 1 586 . 1 1 54 54 TRP CB C 13 28.458 0.300 . 1 . . . . 54 TRP CB . 10294 1 587 . 1 1 54 54 TRP CD1 C 13 127.161 0.300 . 1 . . . . 54 TRP CD1 . 10294 1 588 . 1 1 54 54 TRP CE3 C 13 120.989 0.300 . 1 . . . . 54 TRP CE3 . 10294 1 589 . 1 1 54 54 TRP CH2 C 13 123.233 0.300 . 1 . . . . 54 TRP CH2 . 10294 1 590 . 1 1 54 54 TRP CZ2 C 13 113.643 0.300 . 1 . . . . 54 TRP CZ2 . 10294 1 591 . 1 1 54 54 TRP CZ3 C 13 121.040 0.300 . 1 . . . . 54 TRP CZ3 . 10294 1 592 . 1 1 54 54 TRP N N 15 120.980 0.300 . 1 . . . . 54 TRP N . 10294 1 593 . 1 1 54 54 TRP NE1 N 15 128.499 0.300 . 1 . . . . 54 TRP NE1 . 10294 1 594 . 1 1 55 55 PHE H H 1 8.755 0.030 . 1 . . . . 55 PHE H . 10294 1 595 . 1 1 55 55 PHE HA H 1 3.626 0.030 . 1 . . . . 55 PHE HA . 10294 1 596 . 1 1 55 55 PHE HB2 H 1 3.400 0.030 . 2 . . . . 55 PHE HB2 . 10294 1 597 . 1 1 55 55 PHE HB3 H 1 3.215 0.030 . 2 . . . . 55 PHE HB3 . 10294 1 598 . 1 1 55 55 PHE HD1 H 1 7.799 0.030 . 1 . . . . 55 PHE HD1 . 10294 1 599 . 1 1 55 55 PHE HD2 H 1 7.799 0.030 . 1 . . . . 55 PHE HD2 . 10294 1 600 . 1 1 55 55 PHE HE1 H 1 7.629 0.030 . 1 . . . . 55 PHE HE1 . 10294 1 601 . 1 1 55 55 PHE HE2 H 1 7.629 0.030 . 1 . . . . 55 PHE HE2 . 10294 1 602 . 1 1 55 55 PHE HZ H 1 7.455 0.030 . 1 . . . . 55 PHE HZ . 10294 1 603 . 1 1 55 55 PHE C C 13 177.937 0.300 . 1 . . . . 55 PHE C . 10294 1 604 . 1 1 55 55 PHE CA C 13 64.064 0.300 . 1 . . . . 55 PHE CA . 10294 1 605 . 1 1 55 55 PHE CB C 13 39.579 0.300 . 1 . . . . 55 PHE CB . 10294 1 606 . 1 1 55 55 PHE CD1 C 13 132.046 0.300 . 1 . . . . 55 PHE CD1 . 10294 1 607 . 1 1 55 55 PHE CD2 C 13 132.046 0.300 . 1 . . . . 55 PHE CD2 . 10294 1 608 . 1 1 55 55 PHE CE1 C 13 132.068 0.300 . 1 . . . . 55 PHE CE1 . 10294 1 609 . 1 1 55 55 PHE CE2 C 13 132.068 0.300 . 1 . . . . 55 PHE CE2 . 10294 1 610 . 1 1 55 55 PHE CZ C 13 130.212 0.300 . 1 . . . . 55 PHE CZ . 10294 1 611 . 1 1 55 55 PHE N N 15 118.177 0.300 . 1 . . . . 55 PHE N . 10294 1 612 . 1 1 56 56 LYS H H 1 8.169 0.030 . 1 . . . . 56 LYS H . 10294 1 613 . 1 1 56 56 LYS HA H 1 3.914 0.030 . 1 . . . . 56 LYS HA . 10294 1 614 . 1 1 56 56 LYS HB2 H 1 1.989 0.030 . 1 . . . . 56 LYS HB2 . 10294 1 615 . 1 1 56 56 LYS HB3 H 1 1.989 0.030 . 1 . . . . 56 LYS HB3 . 10294 1 616 . 1 1 56 56 LYS HD2 H 1 1.718 0.030 . 2 . . . . 56 LYS HD2 . 10294 1 617 . 1 1 56 56 LYS HE2 H 1 3.004 0.030 . 2 . . . . 56 LYS HE2 . 10294 1 618 . 1 1 56 56 LYS HG2 H 1 1.409 0.030 . 2 . . . . 56 LYS HG2 . 10294 1 619 . 1 1 56 56 LYS HG3 H 1 1.665 0.030 . 2 . . . . 56 LYS HG3 . 10294 1 620 . 1 1 56 56 LYS C C 13 179.929 0.300 . 1 . . . . 56 LYS C . 10294 1 621 . 1 1 56 56 LYS CA C 13 60.488 0.300 . 1 . . . . 56 LYS CA . 10294 1 622 . 1 1 56 56 LYS CB C 13 32.243 0.300 . 1 . . . . 56 LYS CB . 10294 1 623 . 1 1 56 56 LYS CD C 13 29.776 0.300 . 1 . . . . 56 LYS CD . 10294 1 624 . 1 1 56 56 LYS CE C 13 42.132 0.300 . 1 . . . . 56 LYS CE . 10294 1 625 . 1 1 56 56 LYS CG C 13 25.145 0.300 . 1 . . . . 56 LYS CG . 10294 1 626 . 1 1 56 56 LYS N N 15 119.649 0.300 . 1 . . . . 56 LYS N . 10294 1 627 . 1 1 57 57 ASN H H 1 8.238 0.030 . 1 . . . . 57 ASN H . 10294 1 628 . 1 1 57 57 ASN HA H 1 4.345 0.030 . 1 . . . . 57 ASN HA . 10294 1 629 . 1 1 57 57 ASN HB2 H 1 2.501 0.030 . 2 . . . . 57 ASN HB2 . 10294 1 630 . 1 1 57 57 ASN HB3 H 1 2.678 0.030 . 2 . . . . 57 ASN HB3 . 10294 1 631 . 1 1 57 57 ASN HD21 H 1 7.542 0.030 . 2 . . . . 57 ASN HD21 . 10294 1 632 . 1 1 57 57 ASN HD22 H 1 6.932 0.030 . 2 . . . . 57 ASN HD22 . 10294 1 633 . 1 1 57 57 ASN C C 13 177.379 0.300 . 1 . . . . 57 ASN C . 10294 1 634 . 1 1 57 57 ASN CA C 13 55.515 0.300 . 1 . . . . 57 ASN CA . 10294 1 635 . 1 1 57 57 ASN CB C 13 37.887 0.300 . 1 . . . . 57 ASN CB . 10294 1 636 . 1 1 57 57 ASN N N 15 118.635 0.300 . 1 . . . . 57 ASN N . 10294 1 637 . 1 1 57 57 ASN ND2 N 15 113.181 0.300 . 1 . . . . 57 ASN ND2 . 10294 1 638 . 1 1 58 58 ARG H H 1 8.347 0.030 . 1 . . . . 58 ARG H . 10294 1 639 . 1 1 58 58 ARG HA H 1 3.419 0.030 . 1 . . . . 58 ARG HA . 10294 1 640 . 1 1 58 58 ARG HB2 H 1 0.657 0.030 . 2 . . . . 58 ARG HB2 . 10294 1 641 . 1 1 58 58 ARG HB3 H 1 -0.383 0.030 . 2 . . . . 58 ARG HB3 . 10294 1 642 . 1 1 58 58 ARG HD2 H 1 2.401 0.030 . 2 . . . . 58 ARG HD2 . 10294 1 643 . 1 1 58 58 ARG HD3 H 1 1.944 0.030 . 2 . . . . 58 ARG HD3 . 10294 1 644 . 1 1 58 58 ARG HG2 H 1 -0.323 0.030 . 2 . . . . 58 ARG HG2 . 10294 1 645 . 1 1 58 58 ARG HG3 H 1 -0.410 0.030 . 2 . . . . 58 ARG HG3 . 10294 1 646 . 1 1 58 58 ARG C C 13 179.637 0.300 . 1 . . . . 58 ARG C . 10294 1 647 . 1 1 58 58 ARG CA C 13 56.820 0.300 . 1 . . . . 58 ARG CA . 10294 1 648 . 1 1 58 58 ARG CB C 13 28.359 0.300 . 1 . . . . 58 ARG CB . 10294 1 649 . 1 1 58 58 ARG CD C 13 40.841 0.300 . 1 . . . . 58 ARG CD . 10294 1 650 . 1 1 58 58 ARG CG C 13 24.362 0.300 . 1 . . . . 58 ARG CG . 10294 1 651 . 1 1 58 58 ARG N N 15 123.884 0.300 . 1 . . . . 58 ARG N . 10294 1 652 . 1 1 59 59 ARG H H 1 8.184 0.030 . 1 . . . . 59 ARG H . 10294 1 653 . 1 1 59 59 ARG HA H 1 4.124 0.030 . 1 . . . . 59 ARG HA . 10294 1 654 . 1 1 59 59 ARG HB2 H 1 2.146 0.030 . 2 . . . . 59 ARG HB2 . 10294 1 655 . 1 1 59 59 ARG HB3 H 1 1.812 0.030 . 2 . . . . 59 ARG HB3 . 10294 1 656 . 1 1 59 59 ARG HD2 H 1 2.795 0.030 . 2 . . . . 59 ARG HD2 . 10294 1 657 . 1 1 59 59 ARG HG2 H 1 2.321 0.030 . 2 . . . . 59 ARG HG2 . 10294 1 658 . 1 1 59 59 ARG HG3 H 1 1.431 0.030 . 2 . . . . 59 ARG HG3 . 10294 1 659 . 1 1 59 59 ARG C C 13 178.836 0.300 . 1 . . . . 59 ARG C . 10294 1 660 . 1 1 59 59 ARG CA C 13 60.478 0.300 . 1 . . . . 59 ARG CA . 10294 1 661 . 1 1 59 59 ARG CB C 13 31.667 0.300 . 1 . . . . 59 ARG CB . 10294 1 662 . 1 1 59 59 ARG CD C 13 43.753 0.300 . 1 . . . . 59 ARG CD . 10294 1 663 . 1 1 59 59 ARG CG C 13 30.438 0.300 . 1 . . . . 59 ARG CG . 10294 1 664 . 1 1 59 59 ARG N N 15 117.828 0.300 . 1 . . . . 59 ARG N . 10294 1 665 . 1 1 60 60 ALA H H 1 7.407 0.030 . 1 . . . . 60 ALA H . 10294 1 666 . 1 1 60 60 ALA HA H 1 4.183 0.030 . 1 . . . . 60 ALA HA . 10294 1 667 . 1 1 60 60 ALA HB1 H 1 1.508 0.030 . 1 . . . . 60 ALA HB . 10294 1 668 . 1 1 60 60 ALA HB2 H 1 1.508 0.030 . 1 . . . . 60 ALA HB . 10294 1 669 . 1 1 60 60 ALA HB3 H 1 1.508 0.030 . 1 . . . . 60 ALA HB . 10294 1 670 . 1 1 60 60 ALA C C 13 179.370 0.300 . 1 . . . . 60 ALA C . 10294 1 671 . 1 1 60 60 ALA CA C 13 54.509 0.300 . 1 . . . . 60 ALA CA . 10294 1 672 . 1 1 60 60 ALA CB C 13 18.207 0.300 . 1 . . . . 60 ALA CB . 10294 1 673 . 1 1 60 60 ALA N N 15 121.238 0.300 . 1 . . . . 60 ALA N . 10294 1 674 . 1 1 61 61 LYS H H 1 7.564 0.030 . 1 . . . . 61 LYS H . 10294 1 675 . 1 1 61 61 LYS HA H 1 4.143 0.030 . 1 . . . . 61 LYS HA . 10294 1 676 . 1 1 61 61 LYS HB2 H 1 1.841 0.030 . 2 . . . . 61 LYS HB2 . 10294 1 677 . 1 1 61 61 LYS HB3 H 1 1.751 0.030 . 2 . . . . 61 LYS HB3 . 10294 1 678 . 1 1 61 61 LYS HD2 H 1 1.532 0.030 . 1 . . . . 61 LYS HD2 . 10294 1 679 . 1 1 61 61 LYS HD3 H 1 1.532 0.030 . 1 . . . . 61 LYS HD3 . 10294 1 680 . 1 1 61 61 LYS HE2 H 1 2.858 0.030 . 1 . . . . 61 LYS HE2 . 10294 1 681 . 1 1 61 61 LYS HE3 H 1 2.858 0.030 . 1 . . . . 61 LYS HE3 . 10294 1 682 . 1 1 61 61 LYS HG2 H 1 1.443 0.030 . 2 . . . . 61 LYS HG2 . 10294 1 683 . 1 1 61 61 LYS HG3 H 1 1.366 0.030 . 2 . . . . 61 LYS HG3 . 10294 1 684 . 1 1 61 61 LYS C C 13 177.767 0.300 . 1 . . . . 61 LYS C . 10294 1 685 . 1 1 61 61 LYS CA C 13 57.671 0.300 . 1 . . . . 61 LYS CA . 10294 1 686 . 1 1 61 61 LYS CB C 13 32.490 0.300 . 1 . . . . 61 LYS CB . 10294 1 687 . 1 1 61 61 LYS CD C 13 29.054 0.300 . 1 . . . . 61 LYS CD . 10294 1 688 . 1 1 61 61 LYS CE C 13 42.062 0.300 . 1 . . . . 61 LYS CE . 10294 1 689 . 1 1 61 61 LYS CG C 13 24.814 0.300 . 1 . . . . 61 LYS CG . 10294 1 690 . 1 1 61 61 LYS N N 15 118.322 0.300 . 1 . . . . 61 LYS N . 10294 1 691 . 1 1 62 62 CYS H H 1 7.725 0.030 . 1 . . . . 62 CYS H . 10294 1 692 . 1 1 62 62 CYS HA H 1 4.401 0.030 . 1 . . . . 62 CYS HA . 10294 1 693 . 1 1 62 62 CYS HB2 H 1 3.068 0.030 . 1 . . . . 62 CYS HB2 . 10294 1 694 . 1 1 62 62 CYS HB3 H 1 3.068 0.030 . 1 . . . . 62 CYS HB3 . 10294 1 695 . 1 1 62 62 CYS C C 13 175.752 0.300 . 1 . . . . 62 CYS C . 10294 1 696 . 1 1 62 62 CYS CA C 13 60.540 0.300 . 1 . . . . 62 CYS CA . 10294 1 697 . 1 1 62 62 CYS CB C 13 27.654 0.300 . 1 . . . . 62 CYS CB . 10294 1 698 . 1 1 62 62 CYS N N 15 117.981 0.300 . 1 . . . . 62 CYS N . 10294 1 699 . 1 1 63 63 ARG H H 1 8.044 0.030 . 1 . . . . 63 ARG H . 10294 1 700 . 1 1 63 63 ARG HA H 1 4.273 0.030 . 1 . . . . 63 ARG HA . 10294 1 701 . 1 1 63 63 ARG HB2 H 1 1.932 0.030 . 2 . . . . 63 ARG HB2 . 10294 1 702 . 1 1 63 63 ARG HD2 H 1 3.249 0.030 . 2 . . . . 63 ARG HD2 . 10294 1 703 . 1 1 63 63 ARG HG2 H 1 1.743 0.030 . 2 . . . . 63 ARG HG2 . 10294 1 704 . 1 1 63 63 ARG HG3 H 1 1.654 0.030 . 2 . . . . 63 ARG HG3 . 10294 1 705 . 1 1 63 63 ARG C C 13 177.233 0.300 . 1 . . . . 63 ARG C . 10294 1 706 . 1 1 63 63 ARG CA C 13 57.631 0.300 . 1 . . . . 63 ARG CA . 10294 1 707 . 1 1 63 63 ARG CB C 13 30.347 0.300 . 1 . . . . 63 ARG CB . 10294 1 708 . 1 1 63 63 ARG CD C 13 43.419 0.300 . 1 . . . . 63 ARG CD . 10294 1 709 . 1 1 63 63 ARG CG C 13 27.382 0.300 . 1 . . . . 63 ARG CG . 10294 1 710 . 1 1 63 63 ARG N N 15 121.313 0.300 . 1 . . . . 63 ARG N . 10294 1 711 . 1 1 64 64 GLN H H 1 8.217 0.030 . 1 . . . . 64 GLN H . 10294 1 712 . 1 1 64 64 GLN HA H 1 4.262 0.030 . 1 . . . . 64 GLN HA . 10294 1 713 . 1 1 64 64 GLN HB2 H 1 2.115 0.030 . 2 . . . . 64 GLN HB2 . 10294 1 714 . 1 1 64 64 GLN HB3 H 1 2.075 0.030 . 2 . . . . 64 GLN HB3 . 10294 1 715 . 1 1 64 64 GLN HE21 H 1 6.861 0.030 . 2 . . . . 64 GLN HE21 . 10294 1 716 . 1 1 64 64 GLN HE22 H 1 7.536 0.030 . 2 . . . . 64 GLN HE22 . 10294 1 717 . 1 1 64 64 GLN HG2 H 1 2.436 0.030 . 2 . . . . 64 GLN HG2 . 10294 1 718 . 1 1 64 64 GLN C C 13 176.942 0.300 . 1 . . . . 64 GLN C . 10294 1 719 . 1 1 64 64 GLN CA C 13 57.172 0.300 . 1 . . . . 64 GLN CA . 10294 1 720 . 1 1 64 64 GLN CB C 13 29.129 0.300 . 1 . . . . 64 GLN CB . 10294 1 721 . 1 1 64 64 GLN CG C 13 33.918 0.300 . 1 . . . . 64 GLN CG . 10294 1 722 . 1 1 64 64 GLN N N 15 120.369 0.300 . 1 . . . . 64 GLN N . 10294 1 723 . 1 1 64 64 GLN NE2 N 15 112.296 0.300 . 1 . . . . 64 GLN NE2 . 10294 1 724 . 1 1 71 71 ASN CB C 13 37.967 0.300 . 1 . . . . 71 ASN CB . 10294 1 725 . 1 1 71 71 ASN ND2 N 15 112.927 0.300 . 1 . . . . 71 ASN ND2 . 10294 1 726 . 1 1 72 72 GLY HA2 H 1 3.984 0.030 . 1 . . . . 72 GLY HA2 . 10294 1 727 . 1 1 72 72 GLY HA3 H 1 3.984 0.030 . 1 . . . . 72 GLY HA3 . 10294 1 728 . 1 1 72 72 GLY C C 13 174.877 0.300 . 1 . . . . 72 GLY C . 10294 1 729 . 1 1 72 72 GLY CA C 13 45.604 0.300 . 1 . . . . 72 GLY CA . 10294 1 730 . 1 1 73 73 GLY H H 1 8.288 0.030 . 1 . . . . 73 GLY H . 10294 1 731 . 1 1 73 73 GLY HA2 H 1 3.986 0.030 . 1 . . . . 73 GLY HA2 . 10294 1 732 . 1 1 73 73 GLY HA3 H 1 3.986 0.030 . 1 . . . . 73 GLY HA3 . 10294 1 733 . 1 1 73 73 GLY C C 13 174.319 0.300 . 1 . . . . 73 GLY C . 10294 1 734 . 1 1 73 73 GLY CA C 13 45.322 0.300 . 1 . . . . 73 GLY CA . 10294 1 735 . 1 1 73 73 GLY N N 15 108.597 0.300 . 1 . . . . 73 GLY N . 10294 1 736 . 1 1 74 74 GLN H H 1 8.281 0.030 . 1 . . . . 74 GLN H . 10294 1 737 . 1 1 74 74 GLN HA H 1 4.413 0.030 . 1 . . . . 74 GLN HA . 10294 1 738 . 1 1 74 74 GLN HB2 H 1 2.013 0.030 . 2 . . . . 74 GLN HB2 . 10294 1 739 . 1 1 74 74 GLN HB3 H 1 2.173 0.030 . 2 . . . . 74 GLN HB3 . 10294 1 740 . 1 1 74 74 GLN HE21 H 1 7.528 0.030 . 2 . . . . 74 GLN HE21 . 10294 1 741 . 1 1 74 74 GLN HE22 H 1 6.855 0.030 . 2 . . . . 74 GLN HE22 . 10294 1 742 . 1 1 74 74 GLN HG2 H 1 2.393 0.030 . 2 . . . . 74 GLN HG2 . 10294 1 743 . 1 1 74 74 GLN C C 13 176.262 0.300 . 1 . . . . 74 GLN C . 10294 1 744 . 1 1 74 74 GLN CA C 13 55.973 0.300 . 1 . . . . 74 GLN CA . 10294 1 745 . 1 1 74 74 GLN CB C 13 29.605 0.300 . 1 . . . . 74 GLN CB . 10294 1 746 . 1 1 74 74 GLN CG C 13 33.851 0.300 . 1 . . . . 74 GLN CG . 10294 1 747 . 1 1 74 74 GLN N N 15 119.866 0.300 . 1 . . . . 74 GLN N . 10294 1 748 . 1 1 74 74 GLN NE2 N 15 111.834 0.300 . 1 . . . . 74 GLN NE2 . 10294 1 749 . 1 1 75 75 SER H H 1 8.432 0.030 . 1 . . . . 75 SER H . 10294 1 750 . 1 1 75 75 SER HA H 1 4.524 0.030 . 1 . . . . 75 SER HA . 10294 1 751 . 1 1 75 75 SER HB2 H 1 3.891 0.030 . 1 . . . . 75 SER HB2 . 10294 1 752 . 1 1 75 75 SER HB3 H 1 3.891 0.030 . 1 . . . . 75 SER HB3 . 10294 1 753 . 1 1 75 75 SER C C 13 174.586 0.300 . 1 . . . . 75 SER C . 10294 1 754 . 1 1 75 75 SER CA C 13 58.513 0.300 . 1 . . . . 75 SER CA . 10294 1 755 . 1 1 75 75 SER CB C 13 64.061 0.300 . 1 . . . . 75 SER CB . 10294 1 756 . 1 1 75 75 SER N N 15 117.073 0.300 . 1 . . . . 75 SER N . 10294 1 757 . 1 1 76 76 GLY H H 1 8.244 0.030 . 1 . . . . 76 GLY H . 10294 1 758 . 1 1 76 76 GLY HA2 H 1 4.171 0.030 . 2 . . . . 76 GLY HA2 . 10294 1 759 . 1 1 76 76 GLY HA3 H 1 4.102 0.030 . 2 . . . . 76 GLY HA3 . 10294 1 760 . 1 1 76 76 GLY C C 13 171.842 0.300 . 1 . . . . 76 GLY C . 10294 1 761 . 1 1 76 76 GLY CA C 13 44.617 0.300 . 1 . . . . 76 GLY CA . 10294 1 762 . 1 1 76 76 GLY N N 15 110.727 0.300 . 1 . . . . 76 GLY N . 10294 1 763 . 1 1 77 77 PRO HA H 1 4.494 0.030 . 1 . . . . 77 PRO HA . 10294 1 764 . 1 1 77 77 PRO HB2 H 1 1.982 0.030 . 2 . . . . 77 PRO HB2 . 10294 1 765 . 1 1 77 77 PRO HB3 H 1 2.303 0.030 . 2 . . . . 77 PRO HB3 . 10294 1 766 . 1 1 77 77 PRO HD2 H 1 3.634 0.030 . 1 . . . . 77 PRO HD2 . 10294 1 767 . 1 1 77 77 PRO HD3 H 1 3.634 0.030 . 1 . . . . 77 PRO HD3 . 10294 1 768 . 1 1 77 77 PRO HG2 H 1 2.024 0.030 . 1 . . . . 77 PRO HG2 . 10294 1 769 . 1 1 77 77 PRO HG3 H 1 2.024 0.030 . 1 . . . . 77 PRO HG3 . 10294 1 770 . 1 1 77 77 PRO C C 13 177.476 0.300 . 1 . . . . 77 PRO C . 10294 1 771 . 1 1 77 77 PRO CA C 13 63.380 0.300 . 1 . . . . 77 PRO CA . 10294 1 772 . 1 1 77 77 PRO CB C 13 32.231 0.300 . 1 . . . . 77 PRO CB . 10294 1 773 . 1 1 77 77 PRO CD C 13 49.818 0.300 . 1 . . . . 77 PRO CD . 10294 1 774 . 1 1 77 77 PRO CG C 13 27.180 0.300 . 1 . . . . 77 PRO CG . 10294 1 775 . 1 1 78 78 SER H H 1 8.526 0.030 . 1 . . . . 78 SER H . 10294 1 776 . 1 1 78 78 SER HA H 1 4.514 0.030 . 1 . . . . 78 SER HA . 10294 1 777 . 1 1 78 78 SER HB2 H 1 3.913 0.030 . 1 . . . . 78 SER HB2 . 10294 1 778 . 1 1 78 78 SER HB3 H 1 3.913 0.030 . 1 . . . . 78 SER HB3 . 10294 1 779 . 1 1 78 78 SER C C 13 174.756 0.300 . 1 . . . . 78 SER C . 10294 1 780 . 1 1 78 78 SER CA C 13 58.513 0.300 . 1 . . . . 78 SER CA . 10294 1 781 . 1 1 78 78 SER CB C 13 63.896 0.300 . 1 . . . . 78 SER CB . 10294 1 782 . 1 1 78 78 SER N N 15 116.438 0.300 . 1 . . . . 78 SER N . 10294 1 783 . 1 1 79 79 SER H H 1 8.329 0.030 . 1 . . . . 79 SER H . 10294 1 784 . 1 1 79 79 SER HA H 1 4.502 0.030 . 1 . . . . 79 SER HA . 10294 1 785 . 1 1 79 79 SER HB2 H 1 3.921 0.030 . 1 . . . . 79 SER HB2 . 10294 1 786 . 1 1 79 79 SER HB3 H 1 3.921 0.030 . 1 . . . . 79 SER HB3 . 10294 1 787 . 1 1 79 79 SER C C 13 173.954 0.300 . 1 . . . . 79 SER C . 10294 1 788 . 1 1 79 79 SER CA C 13 58.477 0.300 . 1 . . . . 79 SER CA . 10294 1 789 . 1 1 79 79 SER CB C 13 64.019 0.300 . 1 . . . . 79 SER CB . 10294 1 790 . 1 1 79 79 SER N N 15 117.859 0.300 . 1 . . . . 79 SER N . 10294 1 791 . 1 1 80 80 GLY H H 1 8.053 0.030 . 1 . . . . 80 GLY H . 10294 1 792 . 1 1 80 80 GLY C C 13 179.079 0.300 . 1 . . . . 80 GLY C . 10294 1 793 . 1 1 80 80 GLY CA C 13 46.274 0.300 . 1 . . . . 80 GLY CA . 10294 1 794 . 1 1 80 80 GLY N N 15 116.849 0.300 . 1 . . . . 80 GLY N . 10294 1 stop_ save_