data_10281 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10281 _Entry.Title ; Solution structure of the homeobox domain of the human paired box protein Pax-6 ; _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 . . . 10281 2 T. Kigawa . . . 10281 3 N. Tochio . . . 10281 4 T. Tomizawa . . . 10281 5 S. Koshiba . . . 10281 6 M. Inoue . . . 10281 7 S. Yokoyama . . . 10281 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' 10281 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10281 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 10281 '15N chemical shifts' 70 10281 '1H chemical shifts' 485 10281 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 . 10281 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CUE 'BMRB Entry Tracking System' 10281 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10281 _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 the human paired box protein Pax-6' _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 . . . 10281 1 2 T. Kigawa . . . 10281 1 3 N. Tochio . . . 10281 1 4 T. Tomizawa . . . 10281 1 5 S. Koshiba . . . 10281 1 6 M. Inoue . . . 10281 1 7 S. Yokoyama . . . 10281 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10281 _Assembly.ID 1 _Assembly.Name 'Paired box protein Pax6' _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 . . . 10281 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 2CUE . . . . . . 10281 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10281 _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 ; GSSGSSGQRNRTSFTQEQIE ALEKEFERTHYPDVFARERL AAKIDLPEARIQVWFSNRRA KWRREEKLRNQRRQSGPSSG ; _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 'not present' _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 2CUE . "Solution Structure Of The Homeobox Domain Of The Human Paired Box Protein Pax-6" . . . . . 100.00 80 100.00 100.00 7.11e-49 . . . . 10281 1 2 no DBJ BAA20936 . "mdkPax-6 [Oryzias sp.]" . . . . . 85.00 213 98.53 100.00 1.01e-38 . . . . 10281 1 3 no DBJ BAA23004 . "PAX6 protein [Gallus gallus]" . . . . . 85.00 436 98.53 100.00 8.18e-38 . . . . 10281 1 4 no DBJ BAA24024 . "PAX6 LL [Cynops pyrrhogaster]" . . . . . 85.00 452 98.53 100.00 1.18e-37 . . . . 10281 1 5 no DBJ BAB62531 . "paired box transcription factor Pax6 [Lethenteron camtschaticum]" . . . . . 85.00 448 97.06 100.00 6.24e-37 . . . . 10281 1 6 no DBJ BAC25729 . "unnamed protein product [Mus musculus]" . . . . . 85.00 422 98.53 100.00 6.54e-38 . . . . 10281 1 7 no EMBL CAA04395 . "Pax6 [Oryzias latipes]" . . . . . 85.00 437 98.53 100.00 1.76e-37 . . . . 10281 1 8 no EMBL CAA11364 . "Pax6 [Branchiostoma floridae]" . . . . . 78.75 483 100.00 100.00 7.47e-35 . . . . 10281 1 9 no EMBL CAA11365 . "Pax6 [Branchiostoma floridae]" . . . . . 78.75 431 100.00 100.00 7.79e-35 . . . . 10281 1 10 no EMBL CAA11366 . "Pax6 [Branchiostoma floridae]" . . . . . 78.75 439 100.00 100.00 9.68e-35 . . . . 10281 1 11 no EMBL CAA11367 . "Pax6 [Branchiostoma floridae]" . . . . . 78.75 462 98.41 100.00 4.35e-34 . . . . 10281 1 12 no GB AAA36416 . "paired-box protein [Homo sapiens]" . . . . . 85.00 422 98.53 100.00 6.15e-38 . . . . 10281 1 13 no GB AAA40109 . "oculorhombin [Mus musculus]" . . . . . 85.00 284 98.53 100.00 4.35e-39 . . . . 10281 1 14 no GB AAA59962 . "oculorhombin [Homo sapiens]" . . . . . 85.00 422 98.53 100.00 6.41e-38 . . . . 10281 1 15 no GB AAB05932 . "Xpax6 [Xenopus laevis]" . . . . . 85.00 422 98.53 100.00 7.56e-38 . . . . 10281 1 16 no GB AAB07733 . "XLPAX6 [Xenopus laevis]" . . . . . 85.00 407 98.53 100.00 1.53e-37 . . . . 10281 1 17 no PIR S37689 . "paired box transcription factor Pax-6 - quail [Coturnix coturnix]" . . . . . 85.00 416 98.53 100.00 7.24e-38 . . . . 10281 1 18 no PRF 1717390A . "pax gene" . . . . . 85.00 374 98.53 100.00 5.43e-38 . . . . 10281 1 19 no PRF 1902328A . "PAX6 gene" . . . . . 85.00 422 98.53 100.00 6.15e-38 . . . . 10281 1 20 no PRF 1911405A . "PAX-6 gene" . . . . . 85.00 269 98.53 100.00 8.63e-38 . . . . 10281 1 21 no REF NP_000271 . "paired box protein Pax-6 isoform a [Homo sapiens]" . . . . . 85.00 422 98.53 100.00 6.15e-38 . . . . 10281 1 22 no REF NP_001006763 . "paired box protein Pax-6 [Xenopus (Silurana) tropicalis]" . . . . . 85.00 424 98.53 100.00 6.37e-38 . . . . 10281 1 23 no REF NP_001035735 . "paired box protein Pax-6 [Bos taurus]" . . . . . 85.00 422 98.53 100.00 6.54e-38 . . . . 10281 1 24 no REF NP_001075686 . "paired box protein Pax-6 [Oryctolagus cuniculus]" . . . . . 85.00 436 98.53 100.00 8.10e-38 . . . . 10281 1 25 no REF NP_001079413 . "paired box 6 [Xenopus laevis]" . . . . . 85.00 453 98.53 100.00 8.27e-38 . . . . 10281 1 26 no SP O73917 . "RecName: Full=Paired box protein Pax-6" . . . . . 85.00 437 98.53 100.00 1.76e-37 . . . . 10281 1 27 no SP P26367 . "RecName: Full=Paired box protein Pax-6; AltName: Full=Aniridia type II protein; AltName: Full=Oculorhombin" . . . . . 85.00 422 98.53 100.00 6.15e-38 . . . . 10281 1 28 no SP P26630 . "RecName: Full=Paired box protein Pax-6; AltName: Full=Pax[Zf-a]" . . . . . 85.00 437 98.53 100.00 1.34e-37 . . . . 10281 1 29 no SP P47237 . "RecName: Full=Paired box protein Pax-6" . . . . . 86.25 216 97.10 98.55 6.12e-40 . . . . 10281 1 30 no SP P47238 . "RecName: Full=Paired box protein Pax-6; AltName: Full=Pax-QNR" . . . . . 85.00 416 98.53 100.00 7.24e-38 . . . . 10281 1 31 no TPG DAA21851 . "TPA: paired box protein Pax-6 [Bos taurus]" . . . . . 85.00 422 98.53 100.00 6.54e-38 . . . . 10281 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10281 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 . 10281 1 2 . SER . 10281 1 3 . SER . 10281 1 4 . GLY . 10281 1 5 . SER . 10281 1 6 . SER . 10281 1 7 . GLY . 10281 1 8 . GLN . 10281 1 9 . ARG . 10281 1 10 . ASN . 10281 1 11 . ARG . 10281 1 12 . THR . 10281 1 13 . SER . 10281 1 14 . PHE . 10281 1 15 . THR . 10281 1 16 . GLN . 10281 1 17 . GLU . 10281 1 18 . GLN . 10281 1 19 . ILE . 10281 1 20 . GLU . 10281 1 21 . ALA . 10281 1 22 . LEU . 10281 1 23 . GLU . 10281 1 24 . LYS . 10281 1 25 . GLU . 10281 1 26 . PHE . 10281 1 27 . GLU . 10281 1 28 . ARG . 10281 1 29 . THR . 10281 1 30 . HIS . 10281 1 31 . TYR . 10281 1 32 . PRO . 10281 1 33 . ASP . 10281 1 34 . VAL . 10281 1 35 . PHE . 10281 1 36 . ALA . 10281 1 37 . ARG . 10281 1 38 . GLU . 10281 1 39 . ARG . 10281 1 40 . LEU . 10281 1 41 . ALA . 10281 1 42 . ALA . 10281 1 43 . LYS . 10281 1 44 . ILE . 10281 1 45 . ASP . 10281 1 46 . LEU . 10281 1 47 . PRO . 10281 1 48 . GLU . 10281 1 49 . ALA . 10281 1 50 . ARG . 10281 1 51 . ILE . 10281 1 52 . GLN . 10281 1 53 . VAL . 10281 1 54 . TRP . 10281 1 55 . PHE . 10281 1 56 . SER . 10281 1 57 . ASN . 10281 1 58 . ARG . 10281 1 59 . ARG . 10281 1 60 . ALA . 10281 1 61 . LYS . 10281 1 62 . TRP . 10281 1 63 . ARG . 10281 1 64 . ARG . 10281 1 65 . GLU . 10281 1 66 . GLU . 10281 1 67 . LYS . 10281 1 68 . LEU . 10281 1 69 . ARG . 10281 1 70 . ASN . 10281 1 71 . GLN . 10281 1 72 . ARG . 10281 1 73 . ARG . 10281 1 74 . GLN . 10281 1 75 . SER . 10281 1 76 . GLY . 10281 1 77 . PRO . 10281 1 78 . SER . 10281 1 79 . SER . 10281 1 80 . GLY . 10281 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 10281 1 . SER 2 2 10281 1 . SER 3 3 10281 1 . GLY 4 4 10281 1 . SER 5 5 10281 1 . SER 6 6 10281 1 . GLY 7 7 10281 1 . GLN 8 8 10281 1 . ARG 9 9 10281 1 . ASN 10 10 10281 1 . ARG 11 11 10281 1 . THR 12 12 10281 1 . SER 13 13 10281 1 . PHE 14 14 10281 1 . THR 15 15 10281 1 . GLN 16 16 10281 1 . GLU 17 17 10281 1 . GLN 18 18 10281 1 . ILE 19 19 10281 1 . GLU 20 20 10281 1 . ALA 21 21 10281 1 . LEU 22 22 10281 1 . GLU 23 23 10281 1 . LYS 24 24 10281 1 . GLU 25 25 10281 1 . PHE 26 26 10281 1 . GLU 27 27 10281 1 . ARG 28 28 10281 1 . THR 29 29 10281 1 . HIS 30 30 10281 1 . TYR 31 31 10281 1 . PRO 32 32 10281 1 . ASP 33 33 10281 1 . VAL 34 34 10281 1 . PHE 35 35 10281 1 . ALA 36 36 10281 1 . ARG 37 37 10281 1 . GLU 38 38 10281 1 . ARG 39 39 10281 1 . LEU 40 40 10281 1 . ALA 41 41 10281 1 . ALA 42 42 10281 1 . LYS 43 43 10281 1 . ILE 44 44 10281 1 . ASP 45 45 10281 1 . LEU 46 46 10281 1 . PRO 47 47 10281 1 . GLU 48 48 10281 1 . ALA 49 49 10281 1 . ARG 50 50 10281 1 . ILE 51 51 10281 1 . GLN 52 52 10281 1 . VAL 53 53 10281 1 . TRP 54 54 10281 1 . PHE 55 55 10281 1 . SER 56 56 10281 1 . ASN 57 57 10281 1 . ARG 58 58 10281 1 . ARG 59 59 10281 1 . ALA 60 60 10281 1 . LYS 61 61 10281 1 . TRP 62 62 10281 1 . ARG 63 63 10281 1 . ARG 64 64 10281 1 . GLU 65 65 10281 1 . GLU 66 66 10281 1 . LYS 67 67 10281 1 . LEU 68 68 10281 1 . ARG 69 69 10281 1 . ASN 70 70 10281 1 . GLN 71 71 10281 1 . ARG 72 72 10281 1 . ARG 73 73 10281 1 . GLN 74 74 10281 1 . SER 75 75 10281 1 . GLY 76 76 10281 1 . PRO 77 77 10281 1 . SER 78 78 10281 1 . SER 79 79 10281 1 . GLY 80 80 10281 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 10281 _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 . . . . . . . . . . . . . . . . . . . . . 10281 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 10281 _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 . . P040712-10 . . . . . . 10281 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10281 _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 1.50 . . mM . . . . 10281 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10281 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10281 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10281 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10281 1 6 H2O . . . . . . solvent 90 . . % . . . . 10281 1 7 D2O . . . . . . solvent 10 . . % . . . . 10281 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 10281 _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 10281 1 pH 7.0 0.05 pH 10281 1 pressure 1 0.001 atm 10281 1 temperature 298 0.1 K 10281 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10281 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10281 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10281 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10281 _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.' . . 10281 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10281 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10281 _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.' . . 10281 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10281 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10281 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10281 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10281 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10281 _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.' . . 10281 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10281 5 'structure solution' 10281 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 10281 _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 10281 _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 . . . 10281 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 10281 _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 . . . . . . . . . . . . . . . . 10281 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10281 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 10281 _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 . . . . . . . . . 10281 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10281 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10281 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 10281 _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 10281 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10281 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 GLN H H 1 8.925 0.030 . 1 . . . . 8 GLN H . 10281 1 2 . 1 1 8 8 GLN HA H 1 4.398 0.030 . 1 . . . . 8 GLN HA . 10281 1 3 . 1 1 8 8 GLN HB2 H 1 2.175 0.030 . 2 . . . . 8 GLN HB2 . 10281 1 4 . 1 1 8 8 GLN HB3 H 1 2.044 0.030 . 2 . . . . 8 GLN HB3 . 10281 1 5 . 1 1 8 8 GLN HE21 H 1 7.498 0.030 . 2 . . . . 8 GLN HE21 . 10281 1 6 . 1 1 8 8 GLN HE22 H 1 6.847 0.030 . 2 . . . . 8 GLN HE22 . 10281 1 7 . 1 1 8 8 GLN HG2 H 1 2.416 0.030 . 2 . . . . 8 GLN HG2 . 10281 1 8 . 1 1 8 8 GLN CA C 13 56.051 0.300 . 1 . . . . 8 GLN CA . 10281 1 9 . 1 1 8 8 GLN CB C 13 29.491 0.300 . 1 . . . . 8 GLN CB . 10281 1 10 . 1 1 8 8 GLN CG C 13 33.375 0.300 . 1 . . . . 8 GLN CG . 10281 1 11 . 1 1 8 8 GLN NE2 N 15 111.848 0.300 . 1 . . . . 8 GLN NE2 . 10281 1 12 . 1 1 12 12 THR HA H 1 4.352 0.030 . 1 . . . . 12 THR HA . 10281 1 13 . 1 1 12 12 THR HB H 1 4.256 0.030 . 1 . . . . 12 THR HB . 10281 1 14 . 1 1 12 12 THR HG21 H 1 1.185 0.030 . 1 . . . . 12 THR HG2 . 10281 1 15 . 1 1 12 12 THR HG22 H 1 1.185 0.030 . 1 . . . . 12 THR HG2 . 10281 1 16 . 1 1 12 12 THR HG23 H 1 1.185 0.030 . 1 . . . . 12 THR HG2 . 10281 1 17 . 1 1 12 12 THR CA C 13 61.819 0.300 . 1 . . . . 12 THR CA . 10281 1 18 . 1 1 12 12 THR CB C 13 69.783 0.300 . 1 . . . . 12 THR CB . 10281 1 19 . 1 1 12 12 THR CG2 C 13 21.708 0.300 . 1 . . . . 12 THR CG2 . 10281 1 20 . 1 1 13 13 SER HA H 1 4.465 0.030 . 1 . . . . 13 SER HA . 10281 1 21 . 1 1 13 13 SER HB2 H 1 3.822 0.030 . 2 . . . . 13 SER HB2 . 10281 1 22 . 1 1 13 13 SER HB3 H 1 3.822 0.030 . 2 . . . . 13 SER HB3 . 10281 1 23 . 1 1 13 13 SER C C 13 173.828 0.300 . 1 . . . . 13 SER C . 10281 1 24 . 1 1 13 13 SER CA C 13 57.973 0.300 . 1 . . . . 13 SER CA . 10281 1 25 . 1 1 13 13 SER CB C 13 64.246 0.300 . 1 . . . . 13 SER CB . 10281 1 26 . 1 1 14 14 PHE H H 1 8.322 0.030 . 1 . . . . 14 PHE H . 10281 1 27 . 1 1 14 14 PHE HA H 1 5.035 0.030 . 1 . . . . 14 PHE HA . 10281 1 28 . 1 1 14 14 PHE HB2 H 1 3.267 0.030 . 2 . . . . 14 PHE HB2 . 10281 1 29 . 1 1 14 14 PHE HB3 H 1 2.864 0.030 . 2 . . . . 14 PHE HB3 . 10281 1 30 . 1 1 14 14 PHE HD1 H 1 7.186 0.030 . 1 . . . . 14 PHE HD1 . 10281 1 31 . 1 1 14 14 PHE HD2 H 1 7.186 0.030 . 1 . . . . 14 PHE HD2 . 10281 1 32 . 1 1 14 14 PHE HE1 H 1 7.274 0.030 . 1 . . . . 14 PHE HE1 . 10281 1 33 . 1 1 14 14 PHE HE2 H 1 7.274 0.030 . 1 . . . . 14 PHE HE2 . 10281 1 34 . 1 1 14 14 PHE HZ H 1 7.400 0.030 . 1 . . . . 14 PHE HZ . 10281 1 35 . 1 1 14 14 PHE C C 13 176.750 0.300 . 1 . . . . 14 PHE C . 10281 1 36 . 1 1 14 14 PHE CA C 13 56.624 0.300 . 1 . . . . 14 PHE CA . 10281 1 37 . 1 1 14 14 PHE CB C 13 41.174 0.300 . 1 . . . . 14 PHE CB . 10281 1 38 . 1 1 14 14 PHE CD1 C 13 131.476 0.300 . 1 . . . . 14 PHE CD1 . 10281 1 39 . 1 1 14 14 PHE CD2 C 13 131.476 0.300 . 1 . . . . 14 PHE CD2 . 10281 1 40 . 1 1 14 14 PHE CE1 C 13 131.551 0.300 . 1 . . . . 14 PHE CE1 . 10281 1 41 . 1 1 14 14 PHE CE2 C 13 131.551 0.300 . 1 . . . . 14 PHE CE2 . 10281 1 42 . 1 1 14 14 PHE CZ C 13 129.210 0.300 . 1 . . . . 14 PHE CZ . 10281 1 43 . 1 1 14 14 PHE N N 15 121.036 0.300 . 1 . . . . 14 PHE N . 10281 1 44 . 1 1 15 15 THR H H 1 8.944 0.030 . 1 . . . . 15 THR H . 10281 1 45 . 1 1 15 15 THR HA H 1 4.529 0.030 . 1 . . . . 15 THR HA . 10281 1 46 . 1 1 15 15 THR HB H 1 4.812 0.030 . 1 . . . . 15 THR HB . 10281 1 47 . 1 1 15 15 THR HG21 H 1 1.325 0.030 . 1 . . . . 15 THR HG2 . 10281 1 48 . 1 1 15 15 THR HG22 H 1 1.325 0.030 . 1 . . . . 15 THR HG2 . 10281 1 49 . 1 1 15 15 THR HG23 H 1 1.325 0.030 . 1 . . . . 15 THR HG2 . 10281 1 50 . 1 1 15 15 THR C C 13 175.433 0.300 . 1 . . . . 15 THR C . 10281 1 51 . 1 1 15 15 THR CA C 13 60.644 0.300 . 1 . . . . 15 THR CA . 10281 1 52 . 1 1 15 15 THR CB C 13 70.784 0.300 . 1 . . . . 15 THR CB . 10281 1 53 . 1 1 15 15 THR CG2 C 13 21.799 0.300 . 1 . . . . 15 THR CG2 . 10281 1 54 . 1 1 15 15 THR N N 15 113.618 0.300 . 1 . . . . 15 THR N . 10281 1 55 . 1 1 16 16 GLN H H 1 9.086 0.030 . 1 . . . . 16 GLN H . 10281 1 56 . 1 1 16 16 GLN HA H 1 4.016 0.030 . 1 . . . . 16 GLN HA . 10281 1 57 . 1 1 16 16 GLN HB2 H 1 2.212 0.030 . 2 . . . . 16 GLN HB2 . 10281 1 58 . 1 1 16 16 GLN HB3 H 1 2.041 0.030 . 2 . . . . 16 GLN HB3 . 10281 1 59 . 1 1 16 16 GLN HE21 H 1 6.849 0.030 . 2 . . . . 16 GLN HE21 . 10281 1 60 . 1 1 16 16 GLN HE22 H 1 7.833 0.030 . 2 . . . . 16 GLN HE22 . 10281 1 61 . 1 1 16 16 GLN HG2 H 1 2.458 0.030 . 2 . . . . 16 GLN HG2 . 10281 1 62 . 1 1 16 16 GLN HG3 H 1 2.457 0.030 . 2 . . . . 16 GLN HG3 . 10281 1 63 . 1 1 16 16 GLN C C 13 178.149 0.300 . 1 . . . . 16 GLN C . 10281 1 64 . 1 1 16 16 GLN CA C 13 59.283 0.300 . 1 . . . . 16 GLN CA . 10281 1 65 . 1 1 16 16 GLN CB C 13 27.943 0.300 . 1 . . . . 16 GLN CB . 10281 1 66 . 1 1 16 16 GLN CG C 13 33.384 0.300 . 1 . . . . 16 GLN CG . 10281 1 67 . 1 1 16 16 GLN N N 15 121.415 0.300 . 1 . . . . 16 GLN N . 10281 1 68 . 1 1 16 16 GLN NE2 N 15 112.646 0.300 . 1 . . . . 16 GLN NE2 . 10281 1 69 . 1 1 17 17 GLU H H 1 8.837 0.030 . 1 . . . . 17 GLU H . 10281 1 70 . 1 1 17 17 GLU HA H 1 4.048 0.030 . 1 . . . . 17 GLU HA . 10281 1 71 . 1 1 17 17 GLU HB2 H 1 1.947 0.030 . 2 . . . . 17 GLU HB2 . 10281 1 72 . 1 1 17 17 GLU HB3 H 1 2.077 0.030 . 2 . . . . 17 GLU HB3 . 10281 1 73 . 1 1 17 17 GLU HG2 H 1 2.389 0.030 . 2 . . . . 17 GLU HG2 . 10281 1 74 . 1 1 17 17 GLU HG3 H 1 2.328 0.030 . 2 . . . . 17 GLU HG3 . 10281 1 75 . 1 1 17 17 GLU C C 13 180.248 0.300 . 1 . . . . 17 GLU C . 10281 1 76 . 1 1 17 17 GLU CA C 13 60.156 0.300 . 1 . . . . 17 GLU CA . 10281 1 77 . 1 1 17 17 GLU CB C 13 29.125 0.300 . 1 . . . . 17 GLU CB . 10281 1 78 . 1 1 17 17 GLU CG C 13 37.059 0.300 . 1 . . . . 17 GLU CG . 10281 1 79 . 1 1 17 17 GLU N N 15 117.930 0.300 . 1 . . . . 17 GLU N . 10281 1 80 . 1 1 18 18 GLN H H 1 7.738 0.030 . 1 . . . . 18 GLN H . 10281 1 81 . 1 1 18 18 GLN HA H 1 3.809 0.030 . 1 . . . . 18 GLN HA . 10281 1 82 . 1 1 18 18 GLN HB2 H 1 2.698 0.030 . 2 . . . . 18 GLN HB2 . 10281 1 83 . 1 1 18 18 GLN HB3 H 1 1.533 0.030 . 2 . . . . 18 GLN HB3 . 10281 1 84 . 1 1 18 18 GLN HE21 H 1 6.597 0.030 . 2 . . . . 18 GLN HE21 . 10281 1 85 . 1 1 18 18 GLN HE22 H 1 7.547 0.030 . 2 . . . . 18 GLN HE22 . 10281 1 86 . 1 1 18 18 GLN HG2 H 1 2.399 0.030 . 2 . . . . 18 GLN HG2 . 10281 1 87 . 1 1 18 18 GLN HG3 H 1 2.674 0.030 . 2 . . . . 18 GLN HG3 . 10281 1 88 . 1 1 18 18 GLN C C 13 177.079 0.300 . 1 . . . . 18 GLN C . 10281 1 89 . 1 1 18 18 GLN CA C 13 59.358 0.300 . 1 . . . . 18 GLN CA . 10281 1 90 . 1 1 18 18 GLN CB C 13 27.338 0.300 . 1 . . . . 18 GLN CB . 10281 1 91 . 1 1 18 18 GLN CG C 13 34.874 0.300 . 1 . . . . 18 GLN CG . 10281 1 92 . 1 1 18 18 GLN N N 15 119.421 0.300 . 1 . . . . 18 GLN N . 10281 1 93 . 1 1 18 18 GLN NE2 N 15 110.232 0.300 . 1 . . . . 18 GLN NE2 . 10281 1 94 . 1 1 19 19 ILE H H 1 8.265 0.030 . 1 . . . . 19 ILE H . 10281 1 95 . 1 1 19 19 ILE HA H 1 3.240 0.030 . 1 . . . . 19 ILE HA . 10281 1 96 . 1 1 19 19 ILE HB H 1 1.908 0.030 . 1 . . . . 19 ILE HB . 10281 1 97 . 1 1 19 19 ILE HD11 H 1 0.811 0.030 . 1 . . . . 19 ILE HD1 . 10281 1 98 . 1 1 19 19 ILE HD12 H 1 0.811 0.030 . 1 . . . . 19 ILE HD1 . 10281 1 99 . 1 1 19 19 ILE HD13 H 1 0.811 0.030 . 1 . . . . 19 ILE HD1 . 10281 1 100 . 1 1 19 19 ILE HG12 H 1 1.656 0.030 . 2 . . . . 19 ILE HG12 . 10281 1 101 . 1 1 19 19 ILE HG13 H 1 1.160 0.030 . 2 . . . . 19 ILE HG13 . 10281 1 102 . 1 1 19 19 ILE HG21 H 1 1.003 0.030 . 1 . . . . 19 ILE HG2 . 10281 1 103 . 1 1 19 19 ILE HG22 H 1 1.003 0.030 . 1 . . . . 19 ILE HG2 . 10281 1 104 . 1 1 19 19 ILE HG23 H 1 1.003 0.030 . 1 . . . . 19 ILE HG2 . 10281 1 105 . 1 1 19 19 ILE C C 13 177.409 0.300 . 1 . . . . 19 ILE C . 10281 1 106 . 1 1 19 19 ILE CA C 13 64.693 0.300 . 1 . . . . 19 ILE CA . 10281 1 107 . 1 1 19 19 ILE CB C 13 37.544 0.300 . 1 . . . . 19 ILE CB . 10281 1 108 . 1 1 19 19 ILE CD1 C 13 12.741 0.300 . 1 . . . . 19 ILE CD1 . 10281 1 109 . 1 1 19 19 ILE CG1 C 13 29.123 0.300 . 1 . . . . 19 ILE CG1 . 10281 1 110 . 1 1 19 19 ILE CG2 C 13 17.828 0.300 . 1 . . . . 19 ILE CG2 . 10281 1 111 . 1 1 19 19 ILE N N 15 118.326 0.300 . 1 . . . . 19 ILE N . 10281 1 112 . 1 1 20 20 GLU H H 1 8.304 0.030 . 1 . . . . 20 GLU H . 10281 1 113 . 1 1 20 20 GLU HA H 1 3.916 0.030 . 1 . . . . 20 GLU HA . 10281 1 114 . 1 1 20 20 GLU HB2 H 1 1.980 0.030 . 2 . . . . 20 GLU HB2 . 10281 1 115 . 1 1 20 20 GLU HB3 H 1 2.064 0.030 . 2 . . . . 20 GLU HB3 . 10281 1 116 . 1 1 20 20 GLU HG2 H 1 2.244 0.030 . 2 . . . . 20 GLU HG2 . 10281 1 117 . 1 1 20 20 GLU HG3 H 1 2.487 0.030 . 2 . . . . 20 GLU HG3 . 10281 1 118 . 1 1 20 20 GLU C C 13 179.281 0.300 . 1 . . . . 20 GLU C . 10281 1 119 . 1 1 20 20 GLU CA C 13 59.674 0.300 . 1 . . . . 20 GLU CA . 10281 1 120 . 1 1 20 20 GLU CB C 13 29.369 0.300 . 1 . . . . 20 GLU CB . 10281 1 121 . 1 1 20 20 GLU CG C 13 36.739 0.300 . 1 . . . . 20 GLU CG . 10281 1 122 . 1 1 20 20 GLU N N 15 117.948 0.300 . 1 . . . . 20 GLU N . 10281 1 123 . 1 1 21 21 ALA H H 1 7.335 0.030 . 1 . . . . 21 ALA H . 10281 1 124 . 1 1 21 21 ALA HA H 1 4.095 0.030 . 1 . . . . 21 ALA HA . 10281 1 125 . 1 1 21 21 ALA HB1 H 1 1.469 0.030 . 1 . . . . 21 ALA HB . 10281 1 126 . 1 1 21 21 ALA HB2 H 1 1.469 0.030 . 1 . . . . 21 ALA HB . 10281 1 127 . 1 1 21 21 ALA HB3 H 1 1.469 0.030 . 1 . . . . 21 ALA HB . 10281 1 128 . 1 1 21 21 ALA C C 13 180.825 0.300 . 1 . . . . 21 ALA C . 10281 1 129 . 1 1 21 21 ALA CA C 13 54.885 0.300 . 1 . . . . 21 ALA CA . 10281 1 130 . 1 1 21 21 ALA CB C 13 19.190 0.300 . 1 . . . . 21 ALA CB . 10281 1 131 . 1 1 21 21 ALA N N 15 120.460 0.300 . 1 . . . . 21 ALA N . 10281 1 132 . 1 1 22 22 LEU H H 1 8.100 0.030 . 1 . . . . 22 LEU H . 10281 1 133 . 1 1 22 22 LEU HA H 1 3.490 0.030 . 1 . . . . 22 LEU HA . 10281 1 134 . 1 1 22 22 LEU HB2 H 1 0.570 0.030 . 2 . . . . 22 LEU HB2 . 10281 1 135 . 1 1 22 22 LEU HB3 H 1 -1.225 0.030 . 2 . . . . 22 LEU HB3 . 10281 1 136 . 1 1 22 22 LEU HD11 H 1 -0.667 0.030 . 1 . . . . 22 LEU HD1 . 10281 1 137 . 1 1 22 22 LEU HD12 H 1 -0.667 0.030 . 1 . . . . 22 LEU HD1 . 10281 1 138 . 1 1 22 22 LEU HD13 H 1 -0.667 0.030 . 1 . . . . 22 LEU HD1 . 10281 1 139 . 1 1 22 22 LEU HD21 H 1 0.453 0.030 . 1 . . . . 22 LEU HD2 . 10281 1 140 . 1 1 22 22 LEU HD22 H 1 0.453 0.030 . 1 . . . . 22 LEU HD2 . 10281 1 141 . 1 1 22 22 LEU HD23 H 1 0.453 0.030 . 1 . . . . 22 LEU HD2 . 10281 1 142 . 1 1 22 22 LEU HG H 1 1.099 0.030 . 1 . . . . 22 LEU HG . 10281 1 143 . 1 1 22 22 LEU C C 13 177.861 0.300 . 1 . . . . 22 LEU C . 10281 1 144 . 1 1 22 22 LEU CA C 13 58.530 0.300 . 1 . . . . 22 LEU CA . 10281 1 145 . 1 1 22 22 LEU CB C 13 37.691 0.300 . 1 . . . . 22 LEU CB . 10281 1 146 . 1 1 22 22 LEU CD1 C 13 23.520 0.300 . 2 . . . . 22 LEU CD1 . 10281 1 147 . 1 1 22 22 LEU CD2 C 13 23.694 0.300 . 2 . . . . 22 LEU CD2 . 10281 1 148 . 1 1 22 22 LEU CG C 13 25.973 0.300 . 1 . . . . 22 LEU CG . 10281 1 149 . 1 1 22 22 LEU N N 15 122.412 0.300 . 1 . . . . 22 LEU N . 10281 1 150 . 1 1 23 23 GLU H H 1 8.534 0.030 . 1 . . . . 23 GLU H . 10281 1 151 . 1 1 23 23 GLU HA H 1 4.360 0.030 . 1 . . . . 23 GLU HA . 10281 1 152 . 1 1 23 23 GLU HB2 H 1 2.059 0.030 . 2 . . . . 23 GLU HB2 . 10281 1 153 . 1 1 23 23 GLU HB3 H 1 2.101 0.030 . 2 . . . . 23 GLU HB3 . 10281 1 154 . 1 1 23 23 GLU HG2 H 1 2.520 0.030 . 2 . . . . 23 GLU HG2 . 10281 1 155 . 1 1 23 23 GLU HG3 H 1 2.421 0.030 . 2 . . . . 23 GLU HG3 . 10281 1 156 . 1 1 23 23 GLU C C 13 180.413 0.300 . 1 . . . . 23 GLU C . 10281 1 157 . 1 1 23 23 GLU CA C 13 59.072 0.300 . 1 . . . . 23 GLU CA . 10281 1 158 . 1 1 23 23 GLU CB C 13 28.905 0.300 . 1 . . . . 23 GLU CB . 10281 1 159 . 1 1 23 23 GLU CG C 13 35.158 0.300 . 1 . . . . 23 GLU CG . 10281 1 160 . 1 1 23 23 GLU N N 15 118.309 0.300 . 1 . . . . 23 GLU N . 10281 1 161 . 1 1 24 24 LYS H H 1 7.898 0.030 . 1 . . . . 24 LYS H . 10281 1 162 . 1 1 24 24 LYS HA H 1 4.170 0.030 . 1 . . . . 24 LYS HA . 10281 1 163 . 1 1 24 24 LYS HB2 H 1 1.936 0.030 . 2 . . . . 24 LYS HB2 . 10281 1 164 . 1 1 24 24 LYS HB3 H 1 1.999 0.030 . 2 . . . . 24 LYS HB3 . 10281 1 165 . 1 1 24 24 LYS HD2 H 1 1.724 0.030 . 2 . . . . 24 LYS HD2 . 10281 1 166 . 1 1 24 24 LYS HD3 H 1 1.726 0.030 . 2 . . . . 24 LYS HD3 . 10281 1 167 . 1 1 24 24 LYS HE2 H 1 2.995 0.030 . 2 . . . . 24 LYS HE2 . 10281 1 168 . 1 1 24 24 LYS HG2 H 1 1.548 0.030 . 2 . . . . 24 LYS HG2 . 10281 1 169 . 1 1 24 24 LYS HG3 H 1 1.626 0.030 . 2 . . . . 24 LYS HG3 . 10281 1 170 . 1 1 24 24 LYS C C 13 179.672 0.300 . 1 . . . . 24 LYS C . 10281 1 171 . 1 1 24 24 LYS CA C 13 59.144 0.300 . 1 . . . . 24 LYS CA . 10281 1 172 . 1 1 24 24 LYS CB C 13 32.082 0.300 . 1 . . . . 24 LYS CB . 10281 1 173 . 1 1 24 24 LYS CD C 13 28.924 0.300 . 1 . . . . 24 LYS CD . 10281 1 174 . 1 1 24 24 LYS CE C 13 42.197 0.300 . 1 . . . . 24 LYS CE . 10281 1 175 . 1 1 24 24 LYS CG C 13 25.262 0.300 . 1 . . . . 24 LYS CG . 10281 1 176 . 1 1 24 24 LYS N N 15 119.449 0.300 . 1 . . . . 24 LYS N . 10281 1 177 . 1 1 25 25 GLU H H 1 7.887 0.030 . 1 . . . . 25 GLU H . 10281 1 178 . 1 1 25 25 GLU HA H 1 4.596 0.030 . 1 . . . . 25 GLU HA . 10281 1 179 . 1 1 25 25 GLU HB2 H 1 2.379 0.030 . 2 . . . . 25 GLU HB2 . 10281 1 180 . 1 1 25 25 GLU HB3 H 1 2.250 0.030 . 2 . . . . 25 GLU HB3 . 10281 1 181 . 1 1 25 25 GLU HG2 H 1 2.368 0.030 . 2 . . . . 25 GLU HG2 . 10281 1 182 . 1 1 25 25 GLU HG3 H 1 2.498 0.030 . 2 . . . . 25 GLU HG3 . 10281 1 183 . 1 1 25 25 GLU C C 13 177.923 0.300 . 1 . . . . 25 GLU C . 10281 1 184 . 1 1 25 25 GLU CA C 13 58.799 0.300 . 1 . . . . 25 GLU CA . 10281 1 185 . 1 1 25 25 GLU CB C 13 28.787 0.300 . 1 . . . . 25 GLU CB . 10281 1 186 . 1 1 25 25 GLU CG C 13 34.913 0.300 . 1 . . . . 25 GLU CG . 10281 1 187 . 1 1 25 25 GLU N N 15 121.941 0.300 . 1 . . . . 25 GLU N . 10281 1 188 . 1 1 26 26 PHE H H 1 8.843 0.030 . 1 . . . . 26 PHE H . 10281 1 189 . 1 1 26 26 PHE HA H 1 4.865 0.030 . 1 . . . . 26 PHE HA . 10281 1 190 . 1 1 26 26 PHE HB2 H 1 3.353 0.030 . 2 . . . . 26 PHE HB2 . 10281 1 191 . 1 1 26 26 PHE HB3 H 1 3.169 0.030 . 2 . . . . 26 PHE HB3 . 10281 1 192 . 1 1 26 26 PHE HD1 H 1 7.230 0.030 . 1 . . . . 26 PHE HD1 . 10281 1 193 . 1 1 26 26 PHE HD2 H 1 7.230 0.030 . 1 . . . . 26 PHE HD2 . 10281 1 194 . 1 1 26 26 PHE HE1 H 1 6.725 0.030 . 1 . . . . 26 PHE HE1 . 10281 1 195 . 1 1 26 26 PHE HE2 H 1 6.725 0.030 . 1 . . . . 26 PHE HE2 . 10281 1 196 . 1 1 26 26 PHE HZ H 1 5.891 0.030 . 1 . . . . 26 PHE HZ . 10281 1 197 . 1 1 26 26 PHE C C 13 176.380 0.300 . 1 . . . . 26 PHE C . 10281 1 198 . 1 1 26 26 PHE CA C 13 60.798 0.300 . 1 . . . . 26 PHE CA . 10281 1 199 . 1 1 26 26 PHE CB C 13 38.969 0.300 . 1 . . . . 26 PHE CB . 10281 1 200 . 1 1 26 26 PHE CD1 C 13 132.104 0.300 . 1 . . . . 26 PHE CD1 . 10281 1 201 . 1 1 26 26 PHE CD2 C 13 132.104 0.300 . 1 . . . . 26 PHE CD2 . 10281 1 202 . 1 1 26 26 PHE CE1 C 13 130.244 0.300 . 1 . . . . 26 PHE CE1 . 10281 1 203 . 1 1 26 26 PHE CE2 C 13 130.244 0.300 . 1 . . . . 26 PHE CE2 . 10281 1 204 . 1 1 26 26 PHE CZ C 13 127.485 0.300 . 1 . . . . 26 PHE CZ . 10281 1 205 . 1 1 26 26 PHE N N 15 121.919 0.300 . 1 . . . . 26 PHE N . 10281 1 206 . 1 1 27 27 GLU H H 1 7.839 0.030 . 1 . . . . 27 GLU H . 10281 1 207 . 1 1 27 27 GLU HA H 1 3.952 0.030 . 1 . . . . 27 GLU HA . 10281 1 208 . 1 1 27 27 GLU HB2 H 1 2.257 0.030 . 2 . . . . 27 GLU HB2 . 10281 1 209 . 1 1 27 27 GLU HB3 H 1 2.169 0.030 . 2 . . . . 27 GLU HB3 . 10281 1 210 . 1 1 27 27 GLU HG2 H 1 2.625 0.030 . 2 . . . . 27 GLU HG2 . 10281 1 211 . 1 1 27 27 GLU HG3 H 1 2.368 0.030 . 2 . . . . 27 GLU HG3 . 10281 1 212 . 1 1 27 27 GLU C C 13 178.335 0.300 . 1 . . . . 27 GLU C . 10281 1 213 . 1 1 27 27 GLU CA C 13 58.650 0.300 . 1 . . . . 27 GLU CA . 10281 1 214 . 1 1 27 27 GLU CB C 13 29.772 0.300 . 1 . . . . 27 GLU CB . 10281 1 215 . 1 1 27 27 GLU CG C 13 36.839 0.300 . 1 . . . . 27 GLU CG . 10281 1 216 . 1 1 27 27 GLU N N 15 115.144 0.300 . 1 . . . . 27 GLU N . 10281 1 217 . 1 1 28 28 ARG H H 1 7.573 0.030 . 1 . . . . 28 ARG H . 10281 1 218 . 1 1 28 28 ARG HA H 1 4.109 0.030 . 1 . . . . 28 ARG HA . 10281 1 219 . 1 1 28 28 ARG HB2 H 1 2.293 0.030 . 2 . . . . 28 ARG HB2 . 10281 1 220 . 1 1 28 28 ARG HB3 H 1 1.909 0.030 . 2 . . . . 28 ARG HB3 . 10281 1 221 . 1 1 28 28 ARG HD2 H 1 3.128 0.030 . 2 . . . . 28 ARG HD2 . 10281 1 222 . 1 1 28 28 ARG HD3 H 1 3.405 0.030 . 2 . . . . 28 ARG HD3 . 10281 1 223 . 1 1 28 28 ARG HG2 H 1 1.462 0.030 . 2 . . . . 28 ARG HG2 . 10281 1 224 . 1 1 28 28 ARG HG3 H 1 1.718 0.030 . 2 . . . . 28 ARG HG3 . 10281 1 225 . 1 1 28 28 ARG C C 13 177.059 0.300 . 1 . . . . 28 ARG C . 10281 1 226 . 1 1 28 28 ARG CA C 13 58.740 0.300 . 1 . . . . 28 ARG CA . 10281 1 227 . 1 1 28 28 ARG CB C 13 30.995 0.300 . 1 . . . . 28 ARG CB . 10281 1 228 . 1 1 28 28 ARG CD C 13 43.303 0.300 . 1 . . . . 28 ARG CD . 10281 1 229 . 1 1 28 28 ARG CG C 13 27.933 0.300 . 1 . . . . 28 ARG CG . 10281 1 230 . 1 1 28 28 ARG N N 15 120.497 0.300 . 1 . . . . 28 ARG N . 10281 1 231 . 1 1 29 29 THR H H 1 8.786 0.030 . 1 . . . . 29 THR H . 10281 1 232 . 1 1 29 29 THR HA H 1 4.291 0.030 . 1 . . . . 29 THR HA . 10281 1 233 . 1 1 29 29 THR HB H 1 4.173 0.030 . 1 . . . . 29 THR HB . 10281 1 234 . 1 1 29 29 THR HG21 H 1 0.933 0.030 . 1 . . . . 29 THR HG2 . 10281 1 235 . 1 1 29 29 THR HG22 H 1 0.933 0.030 . 1 . . . . 29 THR HG2 . 10281 1 236 . 1 1 29 29 THR HG23 H 1 0.933 0.030 . 1 . . . . 29 THR HG2 . 10281 1 237 . 1 1 29 29 THR C C 13 170.391 0.300 . 1 . . . . 29 THR C . 10281 1 238 . 1 1 29 29 THR CA C 13 59.674 0.300 . 1 . . . . 29 THR CA . 10281 1 239 . 1 1 29 29 THR CB C 13 68.880 0.300 . 1 . . . . 29 THR CB . 10281 1 240 . 1 1 29 29 THR CG2 C 13 18.735 0.300 . 1 . . . . 29 THR CG2 . 10281 1 241 . 1 1 29 29 THR N N 15 114.915 0.300 . 1 . . . . 29 THR N . 10281 1 242 . 1 1 30 30 HIS H H 1 8.292 0.030 . 1 . . . . 30 HIS H . 10281 1 243 . 1 1 30 30 HIS HA H 1 4.420 0.030 . 1 . . . . 30 HIS HA . 10281 1 244 . 1 1 30 30 HIS HB2 H 1 2.645 0.030 . 2 . . . . 30 HIS HB2 . 10281 1 245 . 1 1 30 30 HIS HB3 H 1 2.391 0.030 . 2 . . . . 30 HIS HB3 . 10281 1 246 . 1 1 30 30 HIS HD2 H 1 5.870 0.030 . 1 . . . . 30 HIS HD2 . 10281 1 247 . 1 1 30 30 HIS HE1 H 1 5.654 0.030 . 1 . . . . 30 HIS HE1 . 10281 1 248 . 1 1 30 30 HIS C C 13 174.569 0.300 . 1 . . . . 30 HIS C . 10281 1 249 . 1 1 30 30 HIS CA C 13 54.798 0.300 . 1 . . . . 30 HIS CA . 10281 1 250 . 1 1 30 30 HIS CB C 13 30.629 0.300 . 1 . . . . 30 HIS CB . 10281 1 251 . 1 1 30 30 HIS CD2 C 13 117.619 0.300 . 1 . . . . 30 HIS CD2 . 10281 1 252 . 1 1 30 30 HIS CE1 C 13 135.112 0.300 . 1 . . . . 30 HIS CE1 . 10281 1 253 . 1 1 30 30 HIS N N 15 122.126 0.300 . 1 . . . . 30 HIS N . 10281 1 254 . 1 1 31 31 TYR H H 1 8.179 0.030 . 1 . . . . 31 TYR H . 10281 1 255 . 1 1 31 31 TYR HA H 1 4.731 0.030 . 1 . . . . 31 TYR HA . 10281 1 256 . 1 1 31 31 TYR HB2 H 1 3.010 0.030 . 2 . . . . 31 TYR HB2 . 10281 1 257 . 1 1 31 31 TYR HB3 H 1 2.546 0.030 . 2 . . . . 31 TYR HB3 . 10281 1 258 . 1 1 31 31 TYR HD1 H 1 7.065 0.030 . 1 . . . . 31 TYR HD1 . 10281 1 259 . 1 1 31 31 TYR HD2 H 1 7.065 0.030 . 1 . . . . 31 TYR HD2 . 10281 1 260 . 1 1 31 31 TYR HE1 H 1 6.828 0.030 . 1 . . . . 31 TYR HE1 . 10281 1 261 . 1 1 31 31 TYR HE2 H 1 6.828 0.030 . 1 . . . . 31 TYR HE2 . 10281 1 262 . 1 1 31 31 TYR C C 13 172.551 0.300 . 1 . . . . 31 TYR C . 10281 1 263 . 1 1 31 31 TYR CA C 13 55.259 0.300 . 1 . . . . 31 TYR CA . 10281 1 264 . 1 1 31 31 TYR CB C 13 39.362 0.300 . 1 . . . . 31 TYR CB . 10281 1 265 . 1 1 31 31 TYR CD1 C 13 133.664 0.300 . 1 . . . . 31 TYR CD1 . 10281 1 266 . 1 1 31 31 TYR CD2 C 13 133.664 0.300 . 1 . . . . 31 TYR CD2 . 10281 1 267 . 1 1 31 31 TYR CE1 C 13 118.130 0.300 . 1 . . . . 31 TYR CE1 . 10281 1 268 . 1 1 31 31 TYR CE2 C 13 118.130 0.300 . 1 . . . . 31 TYR CE2 . 10281 1 269 . 1 1 31 31 TYR N N 15 115.063 0.300 . 1 . . . . 31 TYR N . 10281 1 270 . 1 1 32 32 PRO HA H 1 4.256 0.030 . 1 . . . . 32 PRO HA . 10281 1 271 . 1 1 32 32 PRO HB2 H 1 1.832 0.030 . 2 . . . . 32 PRO HB2 . 10281 1 272 . 1 1 32 32 PRO HB3 H 1 1.564 0.030 . 2 . . . . 32 PRO HB3 . 10281 1 273 . 1 1 32 32 PRO HD2 H 1 2.943 0.030 . 2 . . . . 32 PRO HD2 . 10281 1 274 . 1 1 32 32 PRO HD3 H 1 3.055 0.030 . 2 . . . . 32 PRO HD3 . 10281 1 275 . 1 1 32 32 PRO HG2 H 1 0.323 0.030 . 2 . . . . 32 PRO HG2 . 10281 1 276 . 1 1 32 32 PRO HG3 H 1 1.096 0.030 . 2 . . . . 32 PRO HG3 . 10281 1 277 . 1 1 32 32 PRO C C 13 177.388 0.300 . 1 . . . . 32 PRO C . 10281 1 278 . 1 1 32 32 PRO CA C 13 62.903 0.300 . 1 . . . . 32 PRO CA . 10281 1 279 . 1 1 32 32 PRO CB C 13 30.896 0.300 . 1 . . . . 32 PRO CB . 10281 1 280 . 1 1 32 32 PRO CD C 13 50.576 0.300 . 1 . . . . 32 PRO CD . 10281 1 281 . 1 1 32 32 PRO CG C 13 26.004 0.300 . 1 . . . . 32 PRO CG . 10281 1 282 . 1 1 33 33 ASP H H 1 8.457 0.030 . 1 . . . . 33 ASP H . 10281 1 283 . 1 1 33 33 ASP HA H 1 4.495 0.030 . 1 . . . . 33 ASP HA . 10281 1 284 . 1 1 33 33 ASP HB2 H 1 3.280 0.030 . 2 . . . . 33 ASP HB2 . 10281 1 285 . 1 1 33 33 ASP HB3 H 1 2.864 0.030 . 2 . . . . 33 ASP HB3 . 10281 1 286 . 1 1 33 33 ASP C C 13 175.824 0.300 . 1 . . . . 33 ASP C . 10281 1 287 . 1 1 33 33 ASP CA C 13 52.776 0.300 . 1 . . . . 33 ASP CA . 10281 1 288 . 1 1 33 33 ASP CB C 13 41.174 0.300 . 1 . . . . 33 ASP CB . 10281 1 289 . 1 1 33 33 ASP N N 15 124.636 0.300 . 1 . . . . 33 ASP N . 10281 1 290 . 1 1 34 34 VAL H H 1 8.331 0.030 . 1 . . . . 34 VAL H . 10281 1 291 . 1 1 34 34 VAL HA H 1 3.488 0.030 . 1 . . . . 34 VAL HA . 10281 1 292 . 1 1 34 34 VAL HB H 1 1.881 0.030 . 1 . . . . 34 VAL HB . 10281 1 293 . 1 1 34 34 VAL HG11 H 1 0.482 0.030 . 1 . . . . 34 VAL HG1 . 10281 1 294 . 1 1 34 34 VAL HG12 H 1 0.482 0.030 . 1 . . . . 34 VAL HG1 . 10281 1 295 . 1 1 34 34 VAL HG13 H 1 0.482 0.030 . 1 . . . . 34 VAL HG1 . 10281 1 296 . 1 1 34 34 VAL HG21 H 1 0.839 0.030 . 1 . . . . 34 VAL HG2 . 10281 1 297 . 1 1 34 34 VAL HG22 H 1 0.839 0.030 . 1 . . . . 34 VAL HG2 . 10281 1 298 . 1 1 34 34 VAL HG23 H 1 0.839 0.030 . 1 . . . . 34 VAL HG2 . 10281 1 299 . 1 1 34 34 VAL C C 13 176.133 0.300 . 1 . . . . 34 VAL C . 10281 1 300 . 1 1 34 34 VAL CA C 13 66.176 0.300 . 1 . . . . 34 VAL CA . 10281 1 301 . 1 1 34 34 VAL CB C 13 31.401 0.300 . 1 . . . . 34 VAL CB . 10281 1 302 . 1 1 34 34 VAL CG1 C 13 19.202 0.300 . 2 . . . . 34 VAL CG1 . 10281 1 303 . 1 1 34 34 VAL CG2 C 13 21.762 0.300 . 2 . . . . 34 VAL CG2 . 10281 1 304 . 1 1 34 34 VAL N N 15 117.908 0.300 . 1 . . . . 34 VAL N . 10281 1 305 . 1 1 35 35 PHE H H 1 7.127 0.030 . 1 . . . . 35 PHE H . 10281 1 306 . 1 1 35 35 PHE HA H 1 4.339 0.030 . 1 . . . . 35 PHE HA . 10281 1 307 . 1 1 35 35 PHE HB2 H 1 3.137 0.030 . 2 . . . . 35 PHE HB2 . 10281 1 308 . 1 1 35 35 PHE HB3 H 1 3.242 0.030 . 2 . . . . 35 PHE HB3 . 10281 1 309 . 1 1 35 35 PHE HD1 H 1 7.361 0.030 . 1 . . . . 35 PHE HD1 . 10281 1 310 . 1 1 35 35 PHE HD2 H 1 7.361 0.030 . 1 . . . . 35 PHE HD2 . 10281 1 311 . 1 1 35 35 PHE HE1 H 1 7.391 0.030 . 1 . . . . 35 PHE HE1 . 10281 1 312 . 1 1 35 35 PHE HE2 H 1 7.391 0.030 . 1 . . . . 35 PHE HE2 . 10281 1 313 . 1 1 35 35 PHE HZ H 1 7.306 0.030 . 1 . . . . 35 PHE HZ . 10281 1 314 . 1 1 35 35 PHE C C 13 178.808 0.300 . 1 . . . . 35 PHE C . 10281 1 315 . 1 1 35 35 PHE CA C 13 60.335 0.300 . 1 . . . . 35 PHE CA . 10281 1 316 . 1 1 35 35 PHE CB C 13 37.927 0.300 . 1 . . . . 35 PHE CB . 10281 1 317 . 1 1 35 35 PHE CD1 C 13 131.766 0.300 . 1 . . . . 35 PHE CD1 . 10281 1 318 . 1 1 35 35 PHE CD2 C 13 131.766 0.300 . 1 . . . . 35 PHE CD2 . 10281 1 319 . 1 1 35 35 PHE CE1 C 13 131.680 0.300 . 1 . . . . 35 PHE CE1 . 10281 1 320 . 1 1 35 35 PHE CE2 C 13 131.680 0.300 . 1 . . . . 35 PHE CE2 . 10281 1 321 . 1 1 35 35 PHE CZ C 13 130.028 0.300 . 1 . . . . 35 PHE CZ . 10281 1 322 . 1 1 35 35 PHE N N 15 120.263 0.300 . 1 . . . . 35 PHE N . 10281 1 323 . 1 1 36 36 ALA H H 1 8.428 0.030 . 1 . . . . 36 ALA H . 10281 1 324 . 1 1 36 36 ALA HA H 1 4.094 0.030 . 1 . . . . 36 ALA HA . 10281 1 325 . 1 1 36 36 ALA HB1 H 1 1.509 0.030 . 1 . . . . 36 ALA HB . 10281 1 326 . 1 1 36 36 ALA HB2 H 1 1.509 0.030 . 1 . . . . 36 ALA HB . 10281 1 327 . 1 1 36 36 ALA HB3 H 1 1.509 0.030 . 1 . . . . 36 ALA HB . 10281 1 328 . 1 1 36 36 ALA C C 13 181.812 0.300 . 1 . . . . 36 ALA C . 10281 1 329 . 1 1 36 36 ALA CA C 13 55.062 0.300 . 1 . . . . 36 ALA CA . 10281 1 330 . 1 1 36 36 ALA CB C 13 18.484 0.300 . 1 . . . . 36 ALA CB . 10281 1 331 . 1 1 36 36 ALA N N 15 123.569 0.300 . 1 . . . . 36 ALA N . 10281 1 332 . 1 1 37 37 ARG H H 1 8.695 0.030 . 1 . . . . 37 ARG H . 10281 1 333 . 1 1 37 37 ARG HA H 1 3.920 0.030 . 1 . . . . 37 ARG HA . 10281 1 334 . 1 1 37 37 ARG HB2 H 1 2.177 0.030 . 2 . . . . 37 ARG HB2 . 10281 1 335 . 1 1 37 37 ARG HB3 H 1 1.668 0.030 . 2 . . . . 37 ARG HB3 . 10281 1 336 . 1 1 37 37 ARG HD2 H 1 2.856 0.030 . 2 . . . . 37 ARG HD2 . 10281 1 337 . 1 1 37 37 ARG HD3 H 1 3.279 0.030 . 2 . . . . 37 ARG HD3 . 10281 1 338 . 1 1 37 37 ARG HE H 1 8.762 0.030 . 1 . . . . 37 ARG HE . 10281 1 339 . 1 1 37 37 ARG HG2 H 1 2.033 0.030 . 2 . . . . 37 ARG HG2 . 10281 1 340 . 1 1 37 37 ARG HG3 H 1 0.839 0.030 . 2 . . . . 37 ARG HG3 . 10281 1 341 . 1 1 37 37 ARG C C 13 178.232 0.300 . 1 . . . . 37 ARG C . 10281 1 342 . 1 1 37 37 ARG CA C 13 61.034 0.300 . 1 . . . . 37 ARG CA . 10281 1 343 . 1 1 37 37 ARG CB C 13 31.263 0.300 . 1 . . . . 37 ARG CB . 10281 1 344 . 1 1 37 37 ARG CD C 13 43.854 0.300 . 1 . . . . 37 ARG CD . 10281 1 345 . 1 1 37 37 ARG CG C 13 29.273 0.300 . 1 . . . . 37 ARG CG . 10281 1 346 . 1 1 37 37 ARG N N 15 117.907 0.300 . 1 . . . . 37 ARG N . 10281 1 347 . 1 1 37 37 ARG NE N 15 81.194 0.300 . 1 . . . . 37 ARG NE . 10281 1 348 . 1 1 38 38 GLU H H 1 8.531 0.030 . 1 . . . . 38 GLU H . 10281 1 349 . 1 1 38 38 GLU HA H 1 4.051 0.030 . 1 . . . . 38 GLU HA . 10281 1 350 . 1 1 38 38 GLU HB2 H 1 2.231 0.030 . 2 . . . . 38 GLU HB2 . 10281 1 351 . 1 1 38 38 GLU HB3 H 1 2.072 0.030 . 2 . . . . 38 GLU HB3 . 10281 1 352 . 1 1 38 38 GLU HG2 H 1 2.558 0.030 . 2 . . . . 38 GLU HG2 . 10281 1 353 . 1 1 38 38 GLU HG3 H 1 2.237 0.030 . 2 . . . . 38 GLU HG3 . 10281 1 354 . 1 1 38 38 GLU C C 13 179.940 0.300 . 1 . . . . 38 GLU C . 10281 1 355 . 1 1 38 38 GLU CA C 13 59.765 0.300 . 1 . . . . 38 GLU CA . 10281 1 356 . 1 1 38 38 GLU CB C 13 29.456 0.300 . 1 . . . . 38 GLU CB . 10281 1 357 . 1 1 38 38 GLU CG C 13 36.766 0.300 . 1 . . . . 38 GLU CG . 10281 1 358 . 1 1 38 38 GLU N N 15 119.688 0.300 . 1 . . . . 38 GLU N . 10281 1 359 . 1 1 39 39 ARG H H 1 8.096 0.030 . 1 . . . . 39 ARG H . 10281 1 360 . 1 1 39 39 ARG HA H 1 4.130 0.030 . 1 . . . . 39 ARG HA . 10281 1 361 . 1 1 39 39 ARG HB2 H 1 1.901 0.030 . 2 . . . . 39 ARG HB2 . 10281 1 362 . 1 1 39 39 ARG HB3 H 1 1.868 0.030 . 2 . . . . 39 ARG HB3 . 10281 1 363 . 1 1 39 39 ARG HD2 H 1 3.227 0.030 . 2 . . . . 39 ARG HD2 . 10281 1 364 . 1 1 39 39 ARG HG2 H 1 1.556 0.030 . 2 . . . . 39 ARG HG2 . 10281 1 365 . 1 1 39 39 ARG HG3 H 1 1.805 0.030 . 2 . . . . 39 ARG HG3 . 10281 1 366 . 1 1 39 39 ARG C C 13 179.425 0.300 . 1 . . . . 39 ARG C . 10281 1 367 . 1 1 39 39 ARG CA C 13 59.368 0.300 . 1 . . . . 39 ARG CA . 10281 1 368 . 1 1 39 39 ARG CB C 13 30.300 0.300 . 1 . . . . 39 ARG CB . 10281 1 369 . 1 1 39 39 ARG CD C 13 43.447 0.300 . 1 . . . . 39 ARG CD . 10281 1 370 . 1 1 39 39 ARG CG C 13 27.441 0.300 . 1 . . . . 39 ARG CG . 10281 1 371 . 1 1 39 39 ARG N N 15 120.527 0.300 . 1 . . . . 39 ARG N . 10281 1 372 . 1 1 40 40 LEU H H 1 7.933 0.030 . 1 . . . . 40 LEU H . 10281 1 373 . 1 1 40 40 LEU HA H 1 4.121 0.030 . 1 . . . . 40 LEU HA . 10281 1 374 . 1 1 40 40 LEU HB2 H 1 1.791 0.030 . 2 . . . . 40 LEU HB2 . 10281 1 375 . 1 1 40 40 LEU HB3 H 1 1.747 0.030 . 2 . . . . 40 LEU HB3 . 10281 1 376 . 1 1 40 40 LEU HD11 H 1 0.954 0.030 . 1 . . . . 40 LEU HD1 . 10281 1 377 . 1 1 40 40 LEU HD12 H 1 0.954 0.030 . 1 . . . . 40 LEU HD1 . 10281 1 378 . 1 1 40 40 LEU HD13 H 1 0.954 0.030 . 1 . . . . 40 LEU HD1 . 10281 1 379 . 1 1 40 40 LEU HD21 H 1 0.940 0.030 . 1 . . . . 40 LEU HD2 . 10281 1 380 . 1 1 40 40 LEU HD22 H 1 0.940 0.030 . 1 . . . . 40 LEU HD2 . 10281 1 381 . 1 1 40 40 LEU HD23 H 1 0.940 0.030 . 1 . . . . 40 LEU HD2 . 10281 1 382 . 1 1 40 40 LEU HG H 1 1.627 0.030 . 1 . . . . 40 LEU HG . 10281 1 383 . 1 1 40 40 LEU C C 13 177.861 0.300 . 1 . . . . 40 LEU C . 10281 1 384 . 1 1 40 40 LEU CA C 13 57.807 0.300 . 1 . . . . 40 LEU CA . 10281 1 385 . 1 1 40 40 LEU CB C 13 42.446 0.300 . 1 . . . . 40 LEU CB . 10281 1 386 . 1 1 40 40 LEU CD1 C 13 24.248 0.300 . 2 . . . . 40 LEU CD1 . 10281 1 387 . 1 1 40 40 LEU CD2 C 13 25.792 0.300 . 2 . . . . 40 LEU CD2 . 10281 1 388 . 1 1 40 40 LEU CG C 13 26.985 0.300 . 1 . . . . 40 LEU CG . 10281 1 389 . 1 1 40 40 LEU N N 15 121.371 0.300 . 1 . . . . 40 LEU N . 10281 1 390 . 1 1 41 41 ALA H H 1 8.537 0.030 . 1 . . . . 41 ALA H . 10281 1 391 . 1 1 41 41 ALA HA H 1 4.102 0.030 . 1 . . . . 41 ALA HA . 10281 1 392 . 1 1 41 41 ALA HB1 H 1 1.638 0.030 . 1 . . . . 41 ALA HB . 10281 1 393 . 1 1 41 41 ALA HB2 H 1 1.638 0.030 . 1 . . . . 41 ALA HB . 10281 1 394 . 1 1 41 41 ALA HB3 H 1 1.638 0.030 . 1 . . . . 41 ALA HB . 10281 1 395 . 1 1 41 41 ALA C C 13 180.372 0.300 . 1 . . . . 41 ALA C . 10281 1 396 . 1 1 41 41 ALA CA C 13 56.060 0.300 . 1 . . . . 41 ALA CA . 10281 1 397 . 1 1 41 41 ALA CB C 13 18.892 0.300 . 1 . . . . 41 ALA CB . 10281 1 398 . 1 1 41 41 ALA N N 15 121.892 0.300 . 1 . . . . 41 ALA N . 10281 1 399 . 1 1 42 42 ALA H H 1 7.400 0.030 . 1 . . . . 42 ALA H . 10281 1 400 . 1 1 42 42 ALA HA H 1 4.242 0.030 . 1 . . . . 42 ALA HA . 10281 1 401 . 1 1 42 42 ALA HB1 H 1 1.528 0.030 . 1 . . . . 42 ALA HB . 10281 1 402 . 1 1 42 42 ALA HB2 H 1 1.528 0.030 . 1 . . . . 42 ALA HB . 10281 1 403 . 1 1 42 42 ALA HB3 H 1 1.528 0.030 . 1 . . . . 42 ALA HB . 10281 1 404 . 1 1 42 42 ALA C C 13 179.631 0.300 . 1 . . . . 42 ALA C . 10281 1 405 . 1 1 42 42 ALA CA C 13 53.951 0.300 . 1 . . . . 42 ALA CA . 10281 1 406 . 1 1 42 42 ALA CB C 13 18.484 0.300 . 1 . . . . 42 ALA CB . 10281 1 407 . 1 1 42 42 ALA N N 15 116.807 0.300 . 1 . . . . 42 ALA N . 10281 1 408 . 1 1 43 43 LYS H H 1 7.781 0.030 . 1 . . . . 43 LYS H . 10281 1 409 . 1 1 43 43 LYS HA H 1 4.229 0.030 . 1 . . . . 43 LYS HA . 10281 1 410 . 1 1 43 43 LYS HB2 H 1 2.028 0.030 . 2 . . . . 43 LYS HB2 . 10281 1 411 . 1 1 43 43 LYS HB3 H 1 2.006 0.030 . 2 . . . . 43 LYS HB3 . 10281 1 412 . 1 1 43 43 LYS HD2 H 1 1.657 0.030 . 2 . . . . 43 LYS HD2 . 10281 1 413 . 1 1 43 43 LYS HD3 H 1 1.748 0.030 . 2 . . . . 43 LYS HD3 . 10281 1 414 . 1 1 43 43 LYS HE2 H 1 2.965 0.030 . 2 . . . . 43 LYS HE2 . 10281 1 415 . 1 1 43 43 LYS HG2 H 1 1.560 0.030 . 2 . . . . 43 LYS HG2 . 10281 1 416 . 1 1 43 43 LYS HG3 H 1 1.450 0.030 . 2 . . . . 43 LYS HG3 . 10281 1 417 . 1 1 43 43 LYS C C 13 178.746 0.300 . 1 . . . . 43 LYS C . 10281 1 418 . 1 1 43 43 LYS CA C 13 58.710 0.300 . 1 . . . . 43 LYS CA . 10281 1 419 . 1 1 43 43 LYS CB C 13 33.610 0.300 . 1 . . . . 43 LYS CB . 10281 1 420 . 1 1 43 43 LYS CD C 13 29.087 0.300 . 1 . . . . 43 LYS CD . 10281 1 421 . 1 1 43 43 LYS CE C 13 42.136 0.300 . 1 . . . . 43 LYS CE . 10281 1 422 . 1 1 43 43 LYS CG C 13 24.884 0.300 . 1 . . . . 43 LYS CG . 10281 1 423 . 1 1 43 43 LYS N N 15 118.433 0.300 . 1 . . . . 43 LYS N . 10281 1 424 . 1 1 44 44 ILE H H 1 8.094 0.030 . 1 . . . . 44 ILE H . 10281 1 425 . 1 1 44 44 ILE HA H 1 4.655 0.030 . 1 . . . . 44 ILE HA . 10281 1 426 . 1 1 44 44 ILE HB H 1 2.259 0.030 . 1 . . . . 44 ILE HB . 10281 1 427 . 1 1 44 44 ILE HD11 H 1 0.636 0.030 . 1 . . . . 44 ILE HD1 . 10281 1 428 . 1 1 44 44 ILE HD12 H 1 0.636 0.030 . 1 . . . . 44 ILE HD1 . 10281 1 429 . 1 1 44 44 ILE HD13 H 1 0.636 0.030 . 1 . . . . 44 ILE HD1 . 10281 1 430 . 1 1 44 44 ILE HG12 H 1 1.530 0.030 . 2 . . . . 44 ILE HG12 . 10281 1 431 . 1 1 44 44 ILE HG13 H 1 1.163 0.030 . 2 . . . . 44 ILE HG13 . 10281 1 432 . 1 1 44 44 ILE HG21 H 1 0.806 0.030 . 1 . . . . 44 ILE HG2 . 10281 1 433 . 1 1 44 44 ILE HG22 H 1 0.806 0.030 . 1 . . . . 44 ILE HG2 . 10281 1 434 . 1 1 44 44 ILE HG23 H 1 0.806 0.030 . 1 . . . . 44 ILE HG2 . 10281 1 435 . 1 1 44 44 ILE C C 13 175.042 0.300 . 1 . . . . 44 ILE C . 10281 1 436 . 1 1 44 44 ILE CA C 13 60.606 0.300 . 1 . . . . 44 ILE CA . 10281 1 437 . 1 1 44 44 ILE CB C 13 38.341 0.300 . 1 . . . . 44 ILE CB . 10281 1 438 . 1 1 44 44 ILE CD1 C 13 14.687 0.300 . 1 . . . . 44 ILE CD1 . 10281 1 439 . 1 1 44 44 ILE CG1 C 13 24.354 0.300 . 1 . . . . 44 ILE CG1 . 10281 1 440 . 1 1 44 44 ILE CG2 C 13 17.226 0.300 . 1 . . . . 44 ILE CG2 . 10281 1 441 . 1 1 44 44 ILE N N 15 108.112 0.300 . 1 . . . . 44 ILE N . 10281 1 442 . 1 1 45 45 ASP H H 1 7.811 0.030 . 1 . . . . 45 ASP H . 10281 1 443 . 1 1 45 45 ASP HA H 1 4.333 0.030 . 1 . . . . 45 ASP HA . 10281 1 444 . 1 1 45 45 ASP HB2 H 1 3.190 0.030 . 2 . . . . 45 ASP HB2 . 10281 1 445 . 1 1 45 45 ASP HB3 H 1 2.399 0.030 . 2 . . . . 45 ASP HB3 . 10281 1 446 . 1 1 45 45 ASP C C 13 173.848 0.300 . 1 . . . . 45 ASP C . 10281 1 447 . 1 1 45 45 ASP CA C 13 55.065 0.300 . 1 . . . . 45 ASP CA . 10281 1 448 . 1 1 45 45 ASP CB C 13 39.031 0.300 . 1 . . . . 45 ASP CB . 10281 1 449 . 1 1 45 45 ASP N N 15 121.798 0.300 . 1 . . . . 45 ASP N . 10281 1 450 . 1 1 46 46 LEU H H 1 7.550 0.030 . 1 . . . . 46 LEU H . 10281 1 451 . 1 1 46 46 LEU HA H 1 4.990 0.030 . 1 . . . . 46 LEU HA . 10281 1 452 . 1 1 46 46 LEU HB2 H 1 1.356 0.030 . 2 . . . . 46 LEU HB2 . 10281 1 453 . 1 1 46 46 LEU HB3 H 1 1.223 0.030 . 2 . . . . 46 LEU HB3 . 10281 1 454 . 1 1 46 46 LEU HD11 H 1 0.898 0.030 . 1 . . . . 46 LEU HD1 . 10281 1 455 . 1 1 46 46 LEU HD12 H 1 0.898 0.030 . 1 . . . . 46 LEU HD1 . 10281 1 456 . 1 1 46 46 LEU HD13 H 1 0.898 0.030 . 1 . . . . 46 LEU HD1 . 10281 1 457 . 1 1 46 46 LEU HD21 H 1 0.695 0.030 . 1 . . . . 46 LEU HD2 . 10281 1 458 . 1 1 46 46 LEU HD22 H 1 0.695 0.030 . 1 . . . . 46 LEU HD2 . 10281 1 459 . 1 1 46 46 LEU HD23 H 1 0.695 0.030 . 1 . . . . 46 LEU HD2 . 10281 1 460 . 1 1 46 46 LEU HG H 1 1.579 0.030 . 1 . . . . 46 LEU HG . 10281 1 461 . 1 1 46 46 LEU C C 13 173.536 0.300 . 1 . . . . 46 LEU C . 10281 1 462 . 1 1 46 46 LEU CA C 13 51.364 0.300 . 1 . . . . 46 LEU CA . 10281 1 463 . 1 1 46 46 LEU CB C 13 47.443 0.300 . 1 . . . . 46 LEU CB . 10281 1 464 . 1 1 46 46 LEU CD1 C 13 25.354 0.300 . 2 . . . . 46 LEU CD1 . 10281 1 465 . 1 1 46 46 LEU CD2 C 13 25.680 0.300 . 2 . . . . 46 LEU CD2 . 10281 1 466 . 1 1 46 46 LEU CG C 13 26.758 0.300 . 1 . . . . 46 LEU CG . 10281 1 467 . 1 1 46 46 LEU N N 15 118.454 0.300 . 1 . . . . 46 LEU N . 10281 1 468 . 1 1 47 47 PRO HA H 1 4.548 0.030 . 1 . . . . 47 PRO HA . 10281 1 469 . 1 1 47 47 PRO HB2 H 1 2.574 0.030 . 2 . . . . 47 PRO HB2 . 10281 1 470 . 1 1 47 47 PRO HB3 H 1 1.924 0.030 . 2 . . . . 47 PRO HB3 . 10281 1 471 . 1 1 47 47 PRO HD2 H 1 3.442 0.030 . 2 . . . . 47 PRO HD2 . 10281 1 472 . 1 1 47 47 PRO HD3 H 1 4.001 0.030 . 2 . . . . 47 PRO HD3 . 10281 1 473 . 1 1 47 47 PRO HG2 H 1 2.134 0.030 . 2 . . . . 47 PRO HG2 . 10281 1 474 . 1 1 47 47 PRO HG3 H 1 2.136 0.030 . 2 . . . . 47 PRO HG3 . 10281 1 475 . 1 1 47 47 PRO C C 13 178.417 0.300 . 1 . . . . 47 PRO C . 10281 1 476 . 1 1 47 47 PRO CA C 13 62.268 0.300 . 1 . . . . 47 PRO CA . 10281 1 477 . 1 1 47 47 PRO CB C 13 32.600 0.300 . 1 . . . . 47 PRO CB . 10281 1 478 . 1 1 47 47 PRO CD C 13 50.803 0.300 . 1 . . . . 47 PRO CD . 10281 1 479 . 1 1 47 47 PRO CG C 13 27.928 0.300 . 1 . . . . 47 PRO CG . 10281 1 480 . 1 1 48 48 GLU H H 1 9.253 0.030 . 1 . . . . 48 GLU H . 10281 1 481 . 1 1 48 48 GLU HA H 1 3.799 0.030 . 1 . . . . 48 GLU HA . 10281 1 482 . 1 1 48 48 GLU HB2 H 1 2.043 0.030 . 2 . . . . 48 GLU HB2 . 10281 1 483 . 1 1 48 48 GLU HB3 H 1 2.178 0.030 . 2 . . . . 48 GLU HB3 . 10281 1 484 . 1 1 48 48 GLU HG2 H 1 2.363 0.030 . 2 . . . . 48 GLU HG2 . 10281 1 485 . 1 1 48 48 GLU HG3 H 1 2.198 0.030 . 2 . . . . 48 GLU HG3 . 10281 1 486 . 1 1 48 48 GLU C C 13 178.273 0.300 . 1 . . . . 48 GLU C . 10281 1 487 . 1 1 48 48 GLU CA C 13 61.083 0.300 . 1 . . . . 48 GLU CA . 10281 1 488 . 1 1 48 48 GLU CB C 13 28.815 0.300 . 1 . . . . 48 GLU CB . 10281 1 489 . 1 1 48 48 GLU CG C 13 36.355 0.300 . 1 . . . . 48 GLU CG . 10281 1 490 . 1 1 48 48 GLU N N 15 126.081 0.300 . 1 . . . . 48 GLU N . 10281 1 491 . 1 1 49 49 ALA H H 1 8.923 0.030 . 1 . . . . 49 ALA H . 10281 1 492 . 1 1 49 49 ALA HA H 1 4.128 0.030 . 1 . . . . 49 ALA HA . 10281 1 493 . 1 1 49 49 ALA HB1 H 1 1.500 0.030 . 1 . . . . 49 ALA HB . 10281 1 494 . 1 1 49 49 ALA HB2 H 1 1.500 0.030 . 1 . . . . 49 ALA HB . 10281 1 495 . 1 1 49 49 ALA HB3 H 1 1.500 0.030 . 1 . . . . 49 ALA HB . 10281 1 496 . 1 1 49 49 ALA C C 13 181.277 0.300 . 1 . . . . 49 ALA C . 10281 1 497 . 1 1 49 49 ALA CA C 13 55.569 0.300 . 1 . . . . 49 ALA CA . 10281 1 498 . 1 1 49 49 ALA CB C 13 18.681 0.300 . 1 . . . . 49 ALA CB . 10281 1 499 . 1 1 49 49 ALA N N 15 119.313 0.300 . 1 . . . . 49 ALA N . 10281 1 500 . 1 1 50 50 ARG H H 1 7.417 0.030 . 1 . . . . 50 ARG H . 10281 1 501 . 1 1 50 50 ARG HA H 1 4.348 0.030 . 1 . . . . 50 ARG HA . 10281 1 502 . 1 1 50 50 ARG HB2 H 1 2.156 0.030 . 2 . . . . 50 ARG HB2 . 10281 1 503 . 1 1 50 50 ARG HB3 H 1 2.084 0.030 . 2 . . . . 50 ARG HB3 . 10281 1 504 . 1 1 50 50 ARG HD2 H 1 3.241 0.030 . 2 . . . . 50 ARG HD2 . 10281 1 505 . 1 1 50 50 ARG HD3 H 1 3.352 0.030 . 2 . . . . 50 ARG HD3 . 10281 1 506 . 1 1 50 50 ARG HG2 H 1 1.961 0.030 . 2 . . . . 50 ARG HG2 . 10281 1 507 . 1 1 50 50 ARG HG3 H 1 1.869 0.030 . 2 . . . . 50 ARG HG3 . 10281 1 508 . 1 1 50 50 ARG C C 13 179.425 0.300 . 1 . . . . 50 ARG C . 10281 1 509 . 1 1 50 50 ARG CA C 13 57.978 0.300 . 1 . . . . 50 ARG CA . 10281 1 510 . 1 1 50 50 ARG CB C 13 29.723 0.300 . 1 . . . . 50 ARG CB . 10281 1 511 . 1 1 50 50 ARG CD C 13 42.745 0.300 . 1 . . . . 50 ARG CD . 10281 1 512 . 1 1 50 50 ARG CG C 13 27.208 0.300 . 1 . . . . 50 ARG CG . 10281 1 513 . 1 1 50 50 ARG N N 15 114.567 0.300 . 1 . . . . 50 ARG N . 10281 1 514 . 1 1 51 51 ILE H H 1 7.785 0.030 . 1 . . . . 51 ILE H . 10281 1 515 . 1 1 51 51 ILE HA H 1 3.816 0.030 . 1 . . . . 51 ILE HA . 10281 1 516 . 1 1 51 51 ILE HB H 1 2.387 0.030 . 1 . . . . 51 ILE HB . 10281 1 517 . 1 1 51 51 ILE HD11 H 1 0.883 0.030 . 1 . . . . 51 ILE HD1 . 10281 1 518 . 1 1 51 51 ILE HD12 H 1 0.883 0.030 . 1 . . . . 51 ILE HD1 . 10281 1 519 . 1 1 51 51 ILE HD13 H 1 0.883 0.030 . 1 . . . . 51 ILE HD1 . 10281 1 520 . 1 1 51 51 ILE HG12 H 1 1.045 0.030 . 2 . . . . 51 ILE HG12 . 10281 1 521 . 1 1 51 51 ILE HG13 H 1 1.770 0.030 . 2 . . . . 51 ILE HG13 . 10281 1 522 . 1 1 51 51 ILE HG21 H 1 1.088 0.030 . 1 . . . . 51 ILE HG2 . 10281 1 523 . 1 1 51 51 ILE HG22 H 1 1.088 0.030 . 1 . . . . 51 ILE HG2 . 10281 1 524 . 1 1 51 51 ILE HG23 H 1 1.088 0.030 . 1 . . . . 51 ILE HG2 . 10281 1 525 . 1 1 51 51 ILE C C 13 178.088 0.300 . 1 . . . . 51 ILE C . 10281 1 526 . 1 1 51 51 ILE CA C 13 65.848 0.300 . 1 . . . . 51 ILE CA . 10281 1 527 . 1 1 51 51 ILE CB C 13 37.785 0.300 . 1 . . . . 51 ILE CB . 10281 1 528 . 1 1 51 51 ILE CD1 C 13 13.520 0.300 . 1 . . . . 51 ILE CD1 . 10281 1 529 . 1 1 51 51 ILE CG1 C 13 29.590 0.300 . 1 . . . . 51 ILE CG1 . 10281 1 530 . 1 1 51 51 ILE CG2 C 13 17.912 0.300 . 1 . . . . 51 ILE CG2 . 10281 1 531 . 1 1 51 51 ILE N N 15 121.669 0.300 . 1 . . . . 51 ILE N . 10281 1 532 . 1 1 52 52 GLN H H 1 8.478 0.030 . 1 . . . . 52 GLN H . 10281 1 533 . 1 1 52 52 GLN HA H 1 4.423 0.030 . 1 . . . . 52 GLN HA . 10281 1 534 . 1 1 52 52 GLN HB2 H 1 2.277 0.030 . 2 . . . . 52 GLN HB2 . 10281 1 535 . 1 1 52 52 GLN HE21 H 1 7.978 0.030 . 2 . . . . 52 GLN HE21 . 10281 1 536 . 1 1 52 52 GLN HE22 H 1 6.752 0.030 . 2 . . . . 52 GLN HE22 . 10281 1 537 . 1 1 52 52 GLN HG2 H 1 2.553 0.030 . 2 . . . . 52 GLN HG2 . 10281 1 538 . 1 1 52 52 GLN HG3 H 1 2.277 0.030 . 2 . . . . 52 GLN HG3 . 10281 1 539 . 1 1 52 52 GLN C C 13 179.364 0.300 . 1 . . . . 52 GLN C . 10281 1 540 . 1 1 52 52 GLN CA C 13 60.232 0.300 . 1 . . . . 52 GLN CA . 10281 1 541 . 1 1 52 52 GLN CB C 13 28.945 0.300 . 1 . . . . 52 GLN CB . 10281 1 542 . 1 1 52 52 GLN CG C 13 33.835 0.300 . 1 . . . . 52 GLN CG . 10281 1 543 . 1 1 52 52 GLN N N 15 118.943 0.300 . 1 . . . . 52 GLN N . 10281 1 544 . 1 1 52 52 GLN NE2 N 15 112.228 0.300 . 1 . . . . 52 GLN NE2 . 10281 1 545 . 1 1 53 53 VAL H H 1 7.582 0.030 . 1 . . . . 53 VAL H . 10281 1 546 . 1 1 53 53 VAL HA H 1 3.842 0.030 . 1 . . . . 53 VAL HA . 10281 1 547 . 1 1 53 53 VAL HB H 1 2.300 0.030 . 1 . . . . 53 VAL HB . 10281 1 548 . 1 1 53 53 VAL HG11 H 1 1.104 0.030 . 1 . . . . 53 VAL HG1 . 10281 1 549 . 1 1 53 53 VAL HG12 H 1 1.104 0.030 . 1 . . . . 53 VAL HG1 . 10281 1 550 . 1 1 53 53 VAL HG13 H 1 1.104 0.030 . 1 . . . . 53 VAL HG1 . 10281 1 551 . 1 1 53 53 VAL HG21 H 1 1.242 0.030 . 1 . . . . 53 VAL HG2 . 10281 1 552 . 1 1 53 53 VAL HG22 H 1 1.242 0.030 . 1 . . . . 53 VAL HG2 . 10281 1 553 . 1 1 53 53 VAL HG23 H 1 1.242 0.030 . 1 . . . . 53 VAL HG2 . 10281 1 554 . 1 1 53 53 VAL C C 13 177.800 0.300 . 1 . . . . 53 VAL C . 10281 1 555 . 1 1 53 53 VAL CA C 13 66.633 0.300 . 1 . . . . 53 VAL CA . 10281 1 556 . 1 1 53 53 VAL CB C 13 32.241 0.300 . 1 . . . . 53 VAL CB . 10281 1 557 . 1 1 53 53 VAL CG1 C 13 21.355 0.300 . 2 . . . . 53 VAL CG1 . 10281 1 558 . 1 1 53 53 VAL CG2 C 13 22.938 0.300 . 2 . . . . 53 VAL CG2 . 10281 1 559 . 1 1 53 53 VAL N N 15 120.375 0.300 . 1 . . . . 53 VAL N . 10281 1 560 . 1 1 54 54 TRP H H 1 8.390 0.030 . 1 . . . . 54 TRP H . 10281 1 561 . 1 1 54 54 TRP HA H 1 4.050 0.030 . 1 . . . . 54 TRP HA . 10281 1 562 . 1 1 54 54 TRP HB2 H 1 3.475 0.030 . 2 . . . . 54 TRP HB2 . 10281 1 563 . 1 1 54 54 TRP HB3 H 1 3.236 0.030 . 2 . . . . 54 TRP HB3 . 10281 1 564 . 1 1 54 54 TRP HD1 H 1 6.542 0.030 . 1 . . . . 54 TRP HD1 . 10281 1 565 . 1 1 54 54 TRP HE1 H 1 9.593 0.030 . 1 . . . . 54 TRP HE1 . 10281 1 566 . 1 1 54 54 TRP HE3 H 1 6.530 0.030 . 1 . . . . 54 TRP HE3 . 10281 1 567 . 1 1 54 54 TRP HH2 H 1 6.371 0.030 . 1 . . . . 54 TRP HH2 . 10281 1 568 . 1 1 54 54 TRP HZ2 H 1 7.167 0.030 . 1 . . . . 54 TRP HZ2 . 10281 1 569 . 1 1 54 54 TRP HZ3 H 1 5.556 0.030 . 1 . . . . 54 TRP HZ3 . 10281 1 570 . 1 1 54 54 TRP C C 13 180.084 0.300 . 1 . . . . 54 TRP C . 10281 1 571 . 1 1 54 54 TRP CA C 13 63.229 0.300 . 1 . . . . 54 TRP CA . 10281 1 572 . 1 1 54 54 TRP CB C 13 28.726 0.300 . 1 . . . . 54 TRP CB . 10281 1 573 . 1 1 54 54 TRP CD1 C 13 127.140 0.300 . 1 . . . . 54 TRP CD1 . 10281 1 574 . 1 1 54 54 TRP CE3 C 13 121.276 0.300 . 1 . . . . 54 TRP CE3 . 10281 1 575 . 1 1 54 54 TRP CH2 C 13 123.849 0.300 . 1 . . . . 54 TRP CH2 . 10281 1 576 . 1 1 54 54 TRP CZ2 C 13 114.147 0.300 . 1 . . . . 54 TRP CZ2 . 10281 1 577 . 1 1 54 54 TRP CZ3 C 13 121.234 0.300 . 1 . . . . 54 TRP CZ3 . 10281 1 578 . 1 1 54 54 TRP N N 15 121.414 0.300 . 1 . . . . 54 TRP N . 10281 1 579 . 1 1 54 54 TRP NE1 N 15 128.412 0.300 . 1 . . . . 54 TRP NE1 . 10281 1 580 . 1 1 55 55 PHE H H 1 9.127 0.030 . 1 . . . . 55 PHE H . 10281 1 581 . 1 1 55 55 PHE HA H 1 3.771 0.030 . 1 . . . . 55 PHE HA . 10281 1 582 . 1 1 55 55 PHE HB2 H 1 3.431 0.030 . 2 . . . . 55 PHE HB2 . 10281 1 583 . 1 1 55 55 PHE HB3 H 1 3.251 0.030 . 2 . . . . 55 PHE HB3 . 10281 1 584 . 1 1 55 55 PHE HD1 H 1 7.747 0.030 . 1 . . . . 55 PHE HD1 . 10281 1 585 . 1 1 55 55 PHE HD2 H 1 7.747 0.030 . 1 . . . . 55 PHE HD2 . 10281 1 586 . 1 1 55 55 PHE HE1 H 1 7.600 0.030 . 1 . . . . 55 PHE HE1 . 10281 1 587 . 1 1 55 55 PHE HE2 H 1 7.600 0.030 . 1 . . . . 55 PHE HE2 . 10281 1 588 . 1 1 55 55 PHE HZ H 1 7.327 0.030 . 1 . . . . 55 PHE HZ . 10281 1 589 . 1 1 55 55 PHE C C 13 178.170 0.300 . 1 . . . . 55 PHE C . 10281 1 590 . 1 1 55 55 PHE CA C 13 63.826 0.300 . 1 . . . . 55 PHE CA . 10281 1 591 . 1 1 55 55 PHE CB C 13 39.195 0.300 . 1 . . . . 55 PHE CB . 10281 1 592 . 1 1 55 55 PHE CD1 C 13 131.930 0.300 . 1 . . . . 55 PHE CD1 . 10281 1 593 . 1 1 55 55 PHE CD2 C 13 131.930 0.300 . 1 . . . . 55 PHE CD2 . 10281 1 594 . 1 1 55 55 PHE CE1 C 13 131.905 0.300 . 1 . . . . 55 PHE CE1 . 10281 1 595 . 1 1 55 55 PHE CE2 C 13 131.905 0.300 . 1 . . . . 55 PHE CE2 . 10281 1 596 . 1 1 55 55 PHE CZ C 13 129.690 0.300 . 1 . . . . 55 PHE CZ . 10281 1 597 . 1 1 55 55 PHE N N 15 118.358 0.300 . 1 . . . . 55 PHE N . 10281 1 598 . 1 1 56 56 SER H H 1 8.267 0.030 . 1 . . . . 56 SER H . 10281 1 599 . 1 1 56 56 SER HA H 1 4.148 0.030 . 1 . . . . 56 SER HA . 10281 1 600 . 1 1 56 56 SER HB2 H 1 4.172 0.030 . 2 . . . . 56 SER HB2 . 10281 1 601 . 1 1 56 56 SER HB3 H 1 4.103 0.030 . 2 . . . . 56 SER HB3 . 10281 1 602 . 1 1 56 56 SER C C 13 178.376 0.300 . 1 . . . . 56 SER C . 10281 1 603 . 1 1 56 56 SER CA C 13 62.578 0.300 . 1 . . . . 56 SER CA . 10281 1 604 . 1 1 56 56 SER CB C 13 62.412 0.300 . 1 . . . . 56 SER CB . 10281 1 605 . 1 1 56 56 SER N N 15 115.049 0.300 . 1 . . . . 56 SER N . 10281 1 606 . 1 1 57 57 ASN H H 1 8.231 0.030 . 1 . . . . 57 ASN H . 10281 1 607 . 1 1 57 57 ASN HA H 1 4.411 0.030 . 1 . . . . 57 ASN HA . 10281 1 608 . 1 1 57 57 ASN HB2 H 1 2.702 0.030 . 2 . . . . 57 ASN HB2 . 10281 1 609 . 1 1 57 57 ASN HB3 H 1 2.512 0.030 . 2 . . . . 57 ASN HB3 . 10281 1 610 . 1 1 57 57 ASN HD21 H 1 7.592 0.030 . 2 . . . . 57 ASN HD21 . 10281 1 611 . 1 1 57 57 ASN HD22 H 1 6.991 0.030 . 2 . . . . 57 ASN HD22 . 10281 1 612 . 1 1 57 57 ASN C C 13 177.573 0.300 . 1 . . . . 57 ASN C . 10281 1 613 . 1 1 57 57 ASN CA C 13 55.698 0.300 . 1 . . . . 57 ASN CA . 10281 1 614 . 1 1 57 57 ASN CB C 13 37.827 0.300 . 1 . . . . 57 ASN CB . 10281 1 615 . 1 1 57 57 ASN N N 15 120.846 0.300 . 1 . . . . 57 ASN N . 10281 1 616 . 1 1 57 57 ASN ND2 N 15 113.579 0.300 . 1 . . . . 57 ASN ND2 . 10281 1 617 . 1 1 58 58 ARG H H 1 8.531 0.030 . 1 . . . . 58 ARG H . 10281 1 618 . 1 1 58 58 ARG HA H 1 3.533 0.030 . 1 . . . . 58 ARG HA . 10281 1 619 . 1 1 58 58 ARG HB2 H 1 0.667 0.030 . 2 . . . . 58 ARG HB2 . 10281 1 620 . 1 1 58 58 ARG HB3 H 1 -0.554 0.030 . 2 . . . . 58 ARG HB3 . 10281 1 621 . 1 1 58 58 ARG HD2 H 1 2.077 0.030 . 2 . . . . 58 ARG HD2 . 10281 1 622 . 1 1 58 58 ARG HD3 H 1 2.372 0.030 . 2 . . . . 58 ARG HD3 . 10281 1 623 . 1 1 58 58 ARG HE H 1 9.513 0.030 . 1 . . . . 58 ARG HE . 10281 1 624 . 1 1 58 58 ARG HG2 H 1 -0.199 0.030 . 2 . . . . 58 ARG HG2 . 10281 1 625 . 1 1 58 58 ARG HG3 H 1 -0.668 0.030 . 2 . . . . 58 ARG HG3 . 10281 1 626 . 1 1 58 58 ARG C C 13 179.919 0.300 . 1 . . . . 58 ARG C . 10281 1 627 . 1 1 58 58 ARG CA C 13 56.451 0.300 . 1 . . . . 58 ARG CA . 10281 1 628 . 1 1 58 58 ARG CB C 13 27.981 0.300 . 1 . . . . 58 ARG CB . 10281 1 629 . 1 1 58 58 ARG CD C 13 40.756 0.300 . 1 . . . . 58 ARG CD . 10281 1 630 . 1 1 58 58 ARG CG C 13 23.734 0.300 . 1 . . . . 58 ARG CG . 10281 1 631 . 1 1 58 58 ARG N N 15 124.704 0.300 . 1 . . . . 58 ARG N . 10281 1 632 . 1 1 58 58 ARG NE N 15 90.012 0.300 . 1 . . . . 58 ARG NE . 10281 1 633 . 1 1 59 59 ARG H H 1 8.496 0.030 . 1 . . . . 59 ARG H . 10281 1 634 . 1 1 59 59 ARG HA H 1 4.072 0.030 . 1 . . . . 59 ARG HA . 10281 1 635 . 1 1 59 59 ARG HB2 H 1 1.901 0.030 . 2 . . . . 59 ARG HB2 . 10281 1 636 . 1 1 59 59 ARG HB3 H 1 2.250 0.030 . 2 . . . . 59 ARG HB3 . 10281 1 637 . 1 1 59 59 ARG HD2 H 1 2.728 0.030 . 2 . . . . 59 ARG HD2 . 10281 1 638 . 1 1 59 59 ARG HD3 H 1 2.913 0.030 . 2 . . . . 59 ARG HD3 . 10281 1 639 . 1 1 59 59 ARG HG2 H 1 1.313 0.030 . 2 . . . . 59 ARG HG2 . 10281 1 640 . 1 1 59 59 ARG HG3 H 1 2.299 0.030 . 2 . . . . 59 ARG HG3 . 10281 1 641 . 1 1 59 59 ARG C C 13 178.520 0.300 . 1 . . . . 59 ARG C . 10281 1 642 . 1 1 59 59 ARG CA C 13 60.970 0.300 . 1 . . . . 59 ARG CA . 10281 1 643 . 1 1 59 59 ARG CB C 13 31.601 0.300 . 1 . . . . 59 ARG CB . 10281 1 644 . 1 1 59 59 ARG CD C 13 43.702 0.300 . 1 . . . . 59 ARG CD . 10281 1 645 . 1 1 59 59 ARG CG C 13 30.906 0.300 . 1 . . . . 59 ARG CG . 10281 1 646 . 1 1 59 59 ARG N N 15 120.108 0.300 . 1 . . . . 59 ARG N . 10281 1 647 . 1 1 60 60 ALA H H 1 7.487 0.030 . 1 . . . . 60 ALA H . 10281 1 648 . 1 1 60 60 ALA HA H 1 4.197 0.030 . 1 . . . . 60 ALA HA . 10281 1 649 . 1 1 60 60 ALA HB1 H 1 1.573 0.030 . 1 . . . . 60 ALA HB . 10281 1 650 . 1 1 60 60 ALA HB2 H 1 1.573 0.030 . 1 . . . . 60 ALA HB . 10281 1 651 . 1 1 60 60 ALA HB3 H 1 1.573 0.030 . 1 . . . . 60 ALA HB . 10281 1 652 . 1 1 60 60 ALA C C 13 180.475 0.300 . 1 . . . . 60 ALA C . 10281 1 653 . 1 1 60 60 ALA CA C 13 55.547 0.300 . 1 . . . . 60 ALA CA . 10281 1 654 . 1 1 60 60 ALA CB C 13 17.635 0.300 . 1 . . . . 60 ALA CB . 10281 1 655 . 1 1 60 60 ALA N N 15 121.949 0.300 . 1 . . . . 60 ALA N . 10281 1 656 . 1 1 61 61 LYS H H 1 7.733 0.030 . 1 . . . . 61 LYS H . 10281 1 657 . 1 1 61 61 LYS HA H 1 3.927 0.030 . 1 . . . . 61 LYS HA . 10281 1 658 . 1 1 61 61 LYS HB2 H 1 1.808 0.030 . 2 . . . . 61 LYS HB2 . 10281 1 659 . 1 1 61 61 LYS HB3 H 1 1.752 0.030 . 2 . . . . 61 LYS HB3 . 10281 1 660 . 1 1 61 61 LYS HD2 H 1 1.549 0.030 . 2 . . . . 61 LYS HD2 . 10281 1 661 . 1 1 61 61 LYS HD3 H 1 1.410 0.030 . 2 . . . . 61 LYS HD3 . 10281 1 662 . 1 1 61 61 LYS HE2 H 1 2.863 0.030 . 2 . . . . 61 LYS HE2 . 10281 1 663 . 1 1 61 61 LYS HE3 H 1 2.863 0.030 . 2 . . . . 61 LYS HE3 . 10281 1 664 . 1 1 61 61 LYS HG2 H 1 1.418 0.030 . 2 . . . . 61 LYS HG2 . 10281 1 665 . 1 1 61 61 LYS HG3 H 1 1.203 0.030 . 2 . . . . 61 LYS HG3 . 10281 1 666 . 1 1 61 61 LYS C C 13 177.656 0.300 . 1 . . . . 61 LYS C . 10281 1 667 . 1 1 61 61 LYS CA C 13 59.590 0.300 . 1 . . . . 61 LYS CA . 10281 1 668 . 1 1 61 61 LYS CB C 13 32.903 0.300 . 1 . . . . 61 LYS CB . 10281 1 669 . 1 1 61 61 LYS CD C 13 29.898 0.300 . 1 . . . . 61 LYS CD . 10281 1 670 . 1 1 61 61 LYS CE C 13 42.097 0.300 . 1 . . . . 61 LYS CE . 10281 1 671 . 1 1 61 61 LYS CG C 13 24.902 0.300 . 1 . . . . 61 LYS CG . 10281 1 672 . 1 1 61 61 LYS N N 15 120.311 0.300 . 1 . . . . 61 LYS N . 10281 1 673 . 1 1 62 62 TRP H H 1 8.235 0.030 . 1 . . . . 62 TRP H . 10281 1 674 . 1 1 62 62 TRP HA H 1 4.475 0.030 . 1 . . . . 62 TRP HA . 10281 1 675 . 1 1 62 62 TRP HB2 H 1 3.687 0.030 . 2 . . . . 62 TRP HB2 . 10281 1 676 . 1 1 62 62 TRP HB3 H 1 3.253 0.030 . 2 . . . . 62 TRP HB3 . 10281 1 677 . 1 1 62 62 TRP HD1 H 1 7.503 0.030 . 1 . . . . 62 TRP HD1 . 10281 1 678 . 1 1 62 62 TRP HE1 H 1 10.398 0.030 . 1 . . . . 62 TRP HE1 . 10281 1 679 . 1 1 62 62 TRP HE3 H 1 7.662 0.030 . 1 . . . . 62 TRP HE3 . 10281 1 680 . 1 1 62 62 TRP HH2 H 1 7.344 0.030 . 1 . . . . 62 TRP HH2 . 10281 1 681 . 1 1 62 62 TRP HZ2 H 1 7.595 0.030 . 1 . . . . 62 TRP HZ2 . 10281 1 682 . 1 1 62 62 TRP HZ3 H 1 7.289 0.030 . 1 . . . . 62 TRP HZ3 . 10281 1 683 . 1 1 62 62 TRP C C 13 178.088 0.300 . 1 . . . . 62 TRP C . 10281 1 684 . 1 1 62 62 TRP CA C 13 61.043 0.300 . 1 . . . . 62 TRP CA . 10281 1 685 . 1 1 62 62 TRP CB C 13 29.113 0.300 . 1 . . . . 62 TRP CB . 10281 1 686 . 1 1 62 62 TRP CD1 C 13 127.393 0.300 . 1 . . . . 62 TRP CD1 . 10281 1 687 . 1 1 62 62 TRP CE3 C 13 120.222 0.300 . 1 . . . . 62 TRP CE3 . 10281 1 688 . 1 1 62 62 TRP CH2 C 13 124.777 0.300 . 1 . . . . 62 TRP CH2 . 10281 1 689 . 1 1 62 62 TRP CZ2 C 13 115.075 0.300 . 1 . . . . 62 TRP CZ2 . 10281 1 690 . 1 1 62 62 TRP CZ3 C 13 122.204 0.300 . 1 . . . . 62 TRP CZ3 . 10281 1 691 . 1 1 62 62 TRP N N 15 120.161 0.300 . 1 . . . . 62 TRP N . 10281 1 692 . 1 1 62 62 TRP NE1 N 15 130.298 0.300 . 1 . . . . 62 TRP NE1 . 10281 1 693 . 1 1 63 63 ARG H H 1 8.579 0.030 . 1 . . . . 63 ARG H . 10281 1 694 . 1 1 63 63 ARG HA H 1 3.762 0.030 . 1 . . . . 63 ARG HA . 10281 1 695 . 1 1 63 63 ARG HB2 H 1 1.937 0.030 . 2 . . . . 63 ARG HB2 . 10281 1 696 . 1 1 63 63 ARG HB3 H 1 2.125 0.030 . 2 . . . . 63 ARG HB3 . 10281 1 697 . 1 1 63 63 ARG HD2 H 1 3.300 0.030 . 2 . . . . 63 ARG HD2 . 10281 1 698 . 1 1 63 63 ARG HD3 H 1 3.444 0.030 . 2 . . . . 63 ARG HD3 . 10281 1 699 . 1 1 63 63 ARG HG2 H 1 1.805 0.030 . 2 . . . . 63 ARG HG2 . 10281 1 700 . 1 1 63 63 ARG HG3 H 1 2.142 0.030 . 2 . . . . 63 ARG HG3 . 10281 1 701 . 1 1 63 63 ARG C C 13 179.220 0.300 . 1 . . . . 63 ARG C . 10281 1 702 . 1 1 63 63 ARG CA C 13 59.644 0.300 . 1 . . . . 63 ARG CA . 10281 1 703 . 1 1 63 63 ARG CB C 13 30.498 0.300 . 1 . . . . 63 ARG CB . 10281 1 704 . 1 1 63 63 ARG CD C 13 43.717 0.300 . 1 . . . . 63 ARG CD . 10281 1 705 . 1 1 63 63 ARG CG C 13 28.346 0.300 . 1 . . . . 63 ARG CG . 10281 1 706 . 1 1 63 63 ARG N N 15 117.951 0.300 . 1 . . . . 63 ARG N . 10281 1 707 . 1 1 64 64 ARG H H 1 7.754 0.030 . 1 . . . . 64 ARG H . 10281 1 708 . 1 1 64 64 ARG HA H 1 4.075 0.030 . 1 . . . . 64 ARG HA . 10281 1 709 . 1 1 64 64 ARG HB2 H 1 1.941 0.030 . 2 . . . . 64 ARG HB2 . 10281 1 710 . 1 1 64 64 ARG HB3 H 1 1.998 0.030 . 2 . . . . 64 ARG HB3 . 10281 1 711 . 1 1 64 64 ARG HD2 H 1 3.231 0.030 . 2 . . . . 64 ARG HD2 . 10281 1 712 . 1 1 64 64 ARG HD3 H 1 3.262 0.030 . 2 . . . . 64 ARG HD3 . 10281 1 713 . 1 1 64 64 ARG HG2 H 1 1.799 0.030 . 2 . . . . 64 ARG HG2 . 10281 1 714 . 1 1 64 64 ARG HG3 H 1 1.603 0.030 . 2 . . . . 64 ARG HG3 . 10281 1 715 . 1 1 64 64 ARG C C 13 178.643 0.300 . 1 . . . . 64 ARG C . 10281 1 716 . 1 1 64 64 ARG CA C 13 59.313 0.300 . 1 . . . . 64 ARG CA . 10281 1 717 . 1 1 64 64 ARG CB C 13 30.254 0.300 . 1 . . . . 64 ARG CB . 10281 1 718 . 1 1 64 64 ARG CD C 13 43.517 0.300 . 1 . . . . 64 ARG CD . 10281 1 719 . 1 1 64 64 ARG CG C 13 27.579 0.300 . 1 . . . . 64 ARG CG . 10281 1 720 . 1 1 64 64 ARG N N 15 119.265 0.300 . 1 . . . . 64 ARG N . 10281 1 721 . 1 1 65 65 GLU H H 1 8.134 0.030 . 1 . . . . 65 GLU H . 10281 1 722 . 1 1 65 65 GLU HA H 1 3.988 0.030 . 1 . . . . 65 GLU HA . 10281 1 723 . 1 1 65 65 GLU HB2 H 1 1.980 0.030 . 2 . . . . 65 GLU HB2 . 10281 1 724 . 1 1 65 65 GLU HB3 H 1 2.055 0.030 . 2 . . . . 65 GLU HB3 . 10281 1 725 . 1 1 65 65 GLU HG2 H 1 2.198 0.030 . 2 . . . . 65 GLU HG2 . 10281 1 726 . 1 1 65 65 GLU HG3 H 1 2.473 0.030 . 2 . . . . 65 GLU HG3 . 10281 1 727 . 1 1 65 65 GLU C C 13 178.890 0.300 . 1 . . . . 65 GLU C . 10281 1 728 . 1 1 65 65 GLU CA C 13 58.891 0.300 . 1 . . . . 65 GLU CA . 10281 1 729 . 1 1 65 65 GLU CB C 13 29.228 0.300 . 1 . . . . 65 GLU CB . 10281 1 730 . 1 1 65 65 GLU CG C 13 36.948 0.300 . 1 . . . . 65 GLU CG . 10281 1 731 . 1 1 65 65 GLU N N 15 119.336 0.300 . 1 . . . . 65 GLU N . 10281 1 732 . 1 1 66 66 GLU H H 1 8.212 0.030 . 1 . . . . 66 GLU H . 10281 1 733 . 1 1 66 66 GLU HA H 1 3.804 0.030 . 1 . . . . 66 GLU HA . 10281 1 734 . 1 1 66 66 GLU HB2 H 1 1.693 0.030 . 2 . . . . 66 GLU HB2 . 10281 1 735 . 1 1 66 66 GLU HB3 H 1 1.471 0.030 . 2 . . . . 66 GLU HB3 . 10281 1 736 . 1 1 66 66 GLU HG2 H 1 1.722 0.030 . 2 . . . . 66 GLU HG2 . 10281 1 737 . 1 1 66 66 GLU HG3 H 1 1.617 0.030 . 2 . . . . 66 GLU HG3 . 10281 1 738 . 1 1 66 66 GLU C C 13 178.273 0.300 . 1 . . . . 66 GLU C . 10281 1 739 . 1 1 66 66 GLU CA C 13 58.714 0.300 . 1 . . . . 66 GLU CA . 10281 1 740 . 1 1 66 66 GLU CB C 13 29.493 0.300 . 1 . . . . 66 GLU CB . 10281 1 741 . 1 1 66 66 GLU CG C 13 35.655 0.300 . 1 . . . . 66 GLU CG . 10281 1 742 . 1 1 66 66 GLU N N 15 121.135 0.300 . 1 . . . . 66 GLU N . 10281 1 743 . 1 1 67 67 LYS H H 1 7.663 0.030 . 1 . . . . 67 LYS H . 10281 1 744 . 1 1 67 67 LYS HA H 1 4.044 0.030 . 1 . . . . 67 LYS HA . 10281 1 745 . 1 1 67 67 LYS HB2 H 1 1.882 0.030 . 2 . . . . 67 LYS HB2 . 10281 1 746 . 1 1 67 67 LYS HB3 H 1 1.845 0.030 . 2 . . . . 67 LYS HB3 . 10281 1 747 . 1 1 67 67 LYS HD2 H 1 1.682 0.030 . 2 . . . . 67 LYS HD2 . 10281 1 748 . 1 1 67 67 LYS HD3 H 1 1.711 0.030 . 2 . . . . 67 LYS HD3 . 10281 1 749 . 1 1 67 67 LYS HE2 H 1 2.991 0.030 . 2 . . . . 67 LYS HE2 . 10281 1 750 . 1 1 67 67 LYS HG2 H 1 1.527 0.030 . 2 . . . . 67 LYS HG2 . 10281 1 751 . 1 1 67 67 LYS HG3 H 1 1.399 0.030 . 2 . . . . 67 LYS HG3 . 10281 1 752 . 1 1 67 67 LYS C C 13 178.787 0.300 . 1 . . . . 67 LYS C . 10281 1 753 . 1 1 67 67 LYS CA C 13 58.801 0.300 . 1 . . . . 67 LYS CA . 10281 1 754 . 1 1 67 67 LYS CB C 13 32.239 0.300 . 1 . . . . 67 LYS CB . 10281 1 755 . 1 1 67 67 LYS CD C 13 29.243 0.300 . 1 . . . . 67 LYS CD . 10281 1 756 . 1 1 67 67 LYS CE C 13 42.195 0.300 . 1 . . . . 67 LYS CE . 10281 1 757 . 1 1 67 67 LYS CG C 13 25.001 0.300 . 1 . . . . 67 LYS CG . 10281 1 758 . 1 1 67 67 LYS N N 15 119.200 0.300 . 1 . . . . 67 LYS N . 10281 1 759 . 1 1 68 68 LEU H H 1 7.631 0.030 . 1 . . . . 68 LEU H . 10281 1 760 . 1 1 68 68 LEU HA H 1 4.155 0.030 . 1 . . . . 68 LEU HA . 10281 1 761 . 1 1 68 68 LEU HB2 H 1 1.772 0.030 . 2 . . . . 68 LEU HB2 . 10281 1 762 . 1 1 68 68 LEU HB3 H 1 1.588 0.030 . 2 . . . . 68 LEU HB3 . 10281 1 763 . 1 1 68 68 LEU HD11 H 1 0.899 0.030 . 1 . . . . 68 LEU HD1 . 10281 1 764 . 1 1 68 68 LEU HD12 H 1 0.899 0.030 . 1 . . . . 68 LEU HD1 . 10281 1 765 . 1 1 68 68 LEU HD13 H 1 0.899 0.030 . 1 . . . . 68 LEU HD1 . 10281 1 766 . 1 1 68 68 LEU HD21 H 1 0.866 0.030 . 1 . . . . 68 LEU HD2 . 10281 1 767 . 1 1 68 68 LEU HD22 H 1 0.866 0.030 . 1 . . . . 68 LEU HD2 . 10281 1 768 . 1 1 68 68 LEU HD23 H 1 0.866 0.030 . 1 . . . . 68 LEU HD2 . 10281 1 769 . 1 1 68 68 LEU HG H 1 1.694 0.030 . 1 . . . . 68 LEU HG . 10281 1 770 . 1 1 68 68 LEU C C 13 179.055 0.300 . 1 . . . . 68 LEU C . 10281 1 771 . 1 1 68 68 LEU CA C 13 56.903 0.300 . 1 . . . . 68 LEU CA . 10281 1 772 . 1 1 68 68 LEU CB C 13 41.850 0.300 . 1 . . . . 68 LEU CB . 10281 1 773 . 1 1 68 68 LEU CD1 C 13 24.970 0.300 . 2 . . . . 68 LEU CD1 . 10281 1 774 . 1 1 68 68 LEU CD2 C 13 23.239 0.300 . 2 . . . . 68 LEU CD2 . 10281 1 775 . 1 1 68 68 LEU CG C 13 27.063 0.300 . 1 . . . . 68 LEU CG . 10281 1 776 . 1 1 68 68 LEU N N 15 118.976 0.300 . 1 . . . . 68 LEU N . 10281 1 777 . 1 1 69 69 ARG H H 1 7.900 0.030 . 1 . . . . 69 ARG H . 10281 1 778 . 1 1 69 69 ARG HA H 1 4.089 0.030 . 1 . . . . 69 ARG HA . 10281 1 779 . 1 1 69 69 ARG HB2 H 1 1.827 0.030 . 2 . . . . 69 ARG HB2 . 10281 1 780 . 1 1 69 69 ARG HB3 H 1 1.852 0.030 . 2 . . . . 69 ARG HB3 . 10281 1 781 . 1 1 69 69 ARG HD2 H 1 3.209 0.030 . 2 . . . . 69 ARG HD2 . 10281 1 782 . 1 1 69 69 ARG HD3 H 1 3.209 0.030 . 2 . . . . 69 ARG HD3 . 10281 1 783 . 1 1 69 69 ARG HG2 H 1 1.557 0.030 . 2 . . . . 69 ARG HG2 . 10281 1 784 . 1 1 69 69 ARG HG3 H 1 1.557 0.030 . 2 . . . . 69 ARG HG3 . 10281 1 785 . 1 1 69 69 ARG C C 13 177.985 0.300 . 1 . . . . 69 ARG C . 10281 1 786 . 1 1 69 69 ARG CA C 13 58.551 0.300 . 1 . . . . 69 ARG CA . 10281 1 787 . 1 1 69 69 ARG CB C 13 30.430 0.300 . 1 . . . . 69 ARG CB . 10281 1 788 . 1 1 69 69 ARG CD C 13 43.498 0.300 . 1 . . . . 69 ARG CD . 10281 1 789 . 1 1 69 69 ARG CG C 13 27.608 0.300 . 1 . . . . 69 ARG CG . 10281 1 790 . 1 1 69 69 ARG N N 15 119.387 0.300 . 1 . . . . 69 ARG N . 10281 1 791 . 1 1 70 70 ASN H H 1 8.088 0.030 . 1 . . . . 70 ASN H . 10281 1 792 . 1 1 70 70 ASN HA H 1 4.633 0.030 . 1 . . . . 70 ASN HA . 10281 1 793 . 1 1 70 70 ASN HB2 H 1 2.873 0.030 . 2 . . . . 70 ASN HB2 . 10281 1 794 . 1 1 70 70 ASN HB3 H 1 2.806 0.030 . 2 . . . . 70 ASN HB3 . 10281 1 795 . 1 1 70 70 ASN HD21 H 1 7.594 0.030 . 2 . . . . 70 ASN HD21 . 10281 1 796 . 1 1 70 70 ASN HD22 H 1 6.945 0.030 . 2 . . . . 70 ASN HD22 . 10281 1 797 . 1 1 70 70 ASN C C 13 176.194 0.300 . 1 . . . . 70 ASN C . 10281 1 798 . 1 1 70 70 ASN CA C 13 54.463 0.300 . 1 . . . . 70 ASN CA . 10281 1 799 . 1 1 70 70 ASN CB C 13 38.805 0.300 . 1 . . . . 70 ASN CB . 10281 1 800 . 1 1 70 70 ASN N N 15 117.289 0.300 . 1 . . . . 70 ASN N . 10281 1 801 . 1 1 70 70 ASN ND2 N 15 112.966 0.300 . 1 . . . . 70 ASN ND2 . 10281 1 802 . 1 1 71 71 GLN H H 1 8.017 0.030 . 1 . . . . 71 GLN H . 10281 1 803 . 1 1 71 71 GLN HA H 1 4.263 0.030 . 1 . . . . 71 GLN HA . 10281 1 804 . 1 1 71 71 GLN HB2 H 1 2.173 0.030 . 2 . . . . 71 GLN HB2 . 10281 1 805 . 1 1 71 71 GLN HB3 H 1 2.123 0.030 . 2 . . . . 71 GLN HB3 . 10281 1 806 . 1 1 71 71 GLN HE21 H 1 7.512 0.030 . 2 . . . . 71 GLN HE21 . 10281 1 807 . 1 1 71 71 GLN HE22 H 1 6.859 0.030 . 2 . . . . 71 GLN HE22 . 10281 1 808 . 1 1 71 71 GLN HG2 H 1 2.484 0.030 . 2 . . . . 71 GLN HG2 . 10281 1 809 . 1 1 71 71 GLN HG3 H 1 2.414 0.030 . 2 . . . . 71 GLN HG3 . 10281 1 810 . 1 1 71 71 GLN C C 13 176.750 0.300 . 1 . . . . 71 GLN C . 10281 1 811 . 1 1 71 71 GLN CA C 13 57.031 0.300 . 1 . . . . 71 GLN CA . 10281 1 812 . 1 1 71 71 GLN CB C 13 29.122 0.300 . 1 . . . . 71 GLN CB . 10281 1 813 . 1 1 71 71 GLN CG C 13 34.024 0.300 . 1 . . . . 71 GLN CG . 10281 1 814 . 1 1 71 71 GLN N N 15 119.838 0.300 . 1 . . . . 71 GLN N . 10281 1 815 . 1 1 71 71 GLN NE2 N 15 112.356 0.300 . 1 . . . . 71 GLN NE2 . 10281 1 816 . 1 1 72 72 ARG H H 1 8.125 0.030 . 1 . . . . 72 ARG H . 10281 1 817 . 1 1 72 72 ARG HA H 1 4.312 0.030 . 1 . . . . 72 ARG HA . 10281 1 818 . 1 1 72 72 ARG HB2 H 1 1.847 0.030 . 2 . . . . 72 ARG HB2 . 10281 1 819 . 1 1 72 72 ARG HB3 H 1 1.904 0.030 . 2 . . . . 72 ARG HB3 . 10281 1 820 . 1 1 72 72 ARG HD2 H 1 3.216 0.030 . 2 . . . . 72 ARG HD2 . 10281 1 821 . 1 1 72 72 ARG HG2 H 1 1.716 0.030 . 2 . . . . 72 ARG HG2 . 10281 1 822 . 1 1 72 72 ARG HG3 H 1 1.642 0.030 . 2 . . . . 72 ARG HG3 . 10281 1 823 . 1 1 72 72 ARG C C 13 176.729 0.300 . 1 . . . . 72 ARG C . 10281 1 824 . 1 1 72 72 ARG CA C 13 56.840 0.300 . 1 . . . . 72 ARG CA . 10281 1 825 . 1 1 72 72 ARG CB C 13 30.500 0.300 . 1 . . . . 72 ARG CB . 10281 1 826 . 1 1 72 72 ARG CD C 13 43.487 0.300 . 1 . . . . 72 ARG CD . 10281 1 827 . 1 1 72 72 ARG CG C 13 27.337 0.300 . 1 . . . . 72 ARG CG . 10281 1 828 . 1 1 72 72 ARG N N 15 120.534 0.300 . 1 . . . . 72 ARG N . 10281 1 829 . 1 1 73 73 ARG H H 1 8.148 0.030 . 1 . . . . 73 ARG H . 10281 1 830 . 1 1 73 73 ARG HA H 1 4.412 0.030 . 1 . . . . 73 ARG HA . 10281 1 831 . 1 1 73 73 ARG HB2 H 1 1.808 0.030 . 2 . . . . 73 ARG HB2 . 10281 1 832 . 1 1 73 73 ARG HB3 H 1 1.924 0.030 . 2 . . . . 73 ARG HB3 . 10281 1 833 . 1 1 73 73 ARG HD2 H 1 3.231 0.030 . 2 . . . . 73 ARG HD2 . 10281 1 834 . 1 1 73 73 ARG HG2 H 1 1.640 0.030 . 2 . . . . 73 ARG HG2 . 10281 1 835 . 1 1 73 73 ARG HG3 H 1 1.676 0.030 . 2 . . . . 73 ARG HG3 . 10281 1 836 . 1 1 73 73 ARG C C 13 176.552 0.300 . 1 . . . . 73 ARG C . 10281 1 837 . 1 1 73 73 ARG CA C 13 56.445 0.300 . 1 . . . . 73 ARG CA . 10281 1 838 . 1 1 73 73 ARG CB C 13 30.676 0.300 . 1 . . . . 73 ARG CB . 10281 1 839 . 1 1 73 73 ARG CD C 13 43.433 0.300 . 1 . . . . 73 ARG CD . 10281 1 840 . 1 1 73 73 ARG CG C 13 27.165 0.300 . 1 . . . . 73 ARG CG . 10281 1 841 . 1 1 73 73 ARG N N 15 121.356 0.300 . 1 . . . . 73 ARG N . 10281 1 842 . 1 1 74 74 GLN HA H 1 4.334 0.030 . 1 . . . . 74 GLN HA . 10281 1 843 . 1 1 74 74 GLN HB2 H 1 2.002 0.030 . 2 . . . . 74 GLN HB2 . 10281 1 844 . 1 1 74 74 GLN HB3 H 1 2.134 0.030 . 2 . . . . 74 GLN HB3 . 10281 1 845 . 1 1 74 74 GLN HG2 H 1 2.379 0.030 . 2 . . . . 74 GLN HG2 . 10281 1 846 . 1 1 74 74 GLN CA C 13 56.127 0.300 . 1 . . . . 74 GLN CA . 10281 1 847 . 1 1 74 74 GLN CB C 13 29.362 0.300 . 1 . . . . 74 GLN CB . 10281 1 848 . 1 1 74 74 GLN CG C 13 33.801 0.300 . 1 . . . . 74 GLN CG . 10281 1 849 . 1 1 76 76 GLY HA2 H 1 4.168 0.030 . 2 . . . . 76 GLY HA2 . 10281 1 850 . 1 1 76 76 GLY HA3 H 1 4.168 0.030 . 2 . . . . 76 GLY HA3 . 10281 1 851 . 1 1 76 76 GLY CA C 13 44.736 0.300 . 1 . . . . 76 GLY CA . 10281 1 852 . 1 1 77 77 PRO HA H 1 4.502 0.030 . 1 . . . . 77 PRO HA . 10281 1 853 . 1 1 77 77 PRO HB2 H 1 2.320 0.030 . 2 . . . . 77 PRO HB2 . 10281 1 854 . 1 1 77 77 PRO HB3 H 1 2.000 0.030 . 2 . . . . 77 PRO HB3 . 10281 1 855 . 1 1 77 77 PRO HD2 H 1 3.671 0.030 . 2 . . . . 77 PRO HD2 . 10281 1 856 . 1 1 77 77 PRO HD3 H 1 3.646 0.030 . 2 . . . . 77 PRO HD3 . 10281 1 857 . 1 1 77 77 PRO HG2 H 1 2.045 0.030 . 2 . . . . 77 PRO HG2 . 10281 1 858 . 1 1 77 77 PRO HG3 H 1 2.045 0.030 . 2 . . . . 77 PRO HG3 . 10281 1 859 . 1 1 77 77 PRO CA C 13 63.330 0.300 . 1 . . . . 77 PRO CA . 10281 1 860 . 1 1 77 77 PRO CB C 13 32.217 0.300 . 1 . . . . 77 PRO CB . 10281 1 861 . 1 1 77 77 PRO CD C 13 49.823 0.300 . 1 . . . . 77 PRO CD . 10281 1 862 . 1 1 77 77 PRO CG C 13 27.165 0.300 . 1 . . . . 77 PRO CG . 10281 1 863 . 1 1 79 79 SER HA H 1 4.524 0.030 . 1 . . . . 79 SER HA . 10281 1 864 . 1 1 79 79 SER HB2 H 1 3.901 0.030 . 2 . . . . 79 SER HB2 . 10281 1 865 . 1 1 79 79 SER C C 13 173.931 0.300 . 1 . . . . 79 SER C . 10281 1 866 . 1 1 79 79 SER CA C 13 58.409 0.300 . 1 . . . . 79 SER CA . 10281 1 867 . 1 1 79 79 SER CB C 13 64.147 0.300 . 1 . . . . 79 SER CB . 10281 1 868 . 1 1 80 80 GLY H H 1 8.060 0.030 . 1 . . . . 80 GLY H . 10281 1 869 . 1 1 80 80 GLY C C 13 179.077 0.300 . 1 . . . . 80 GLY C . 10281 1 870 . 1 1 80 80 GLY CA C 13 46.336 0.300 . 1 . . . . 80 GLY CA . 10281 1 871 . 1 1 80 80 GLY N N 15 116.856 0.300 . 1 . . . . 80 GLY N . 10281 1 stop_ save_