data_19779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19779 _Entry.Title ; Solution structure of the SGTA N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-07 _Entry.Accession_date 2014-02-07 _Entry.Last_release_date 2014-12-01 _Entry.Original_release_date 2014-12-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 J. Darby . F. . 19779 2 E. Krysztofinska . M. . 19779 3 P. Simpson . J. . 19779 4 Rivka Isaacson . . . 19779 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 'not applicable' 'not applicable' . 19779 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . IsaacsonGroup . 19779 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GET pathway' . 19779 'membrane protein' . 19779 SGTA . 19779 tail-anchored . 19779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 19779 '15N chemical shifts' 73 19779 '1H chemical shifts' 485 19779 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 . . 2014-12-01 2014-02-07 original author . 19779 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4cpg 'Solution structure of the SGTA dimerisation domain' 19779 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19779 _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 SGTA dimerisation domain and investigation of its interactions with the ubiquitin-like domains of BAG6 and UBL4A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'PLOS ONE' _Citation.Journal_name_full 'PLOS ONE' _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 J. Darby . F. . 19779 1 2 E. Krysztofinska . M. . 19779 1 3 P. Simpson . J. . 19779 1 4 A. Simon . C. . 19779 1 5 N. Sriskandarajah . . . 19779 1 6 D. Bishop . S. . 19779 1 7 L. Hale . R. . 19779 1 8 C. Alfano . . . 19779 1 9 M. Conte . R. . 19779 1 10 S. High . . . 19779 1 11 Rivka Isaacson . . . 19779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19779 _Assembly.ID 1 _Assembly.Name 'Solution structure of the SGTA N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 18456.4494 _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 'SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CON PROTEIN ALPHA, 1' 1 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA A . no native no no . . 'N-TERMINAL DIMERISATION DOMAIN OF SGTAN-TERMINAL DIMERISATION DOMAIN OF SGTA' 19779 1 2 'SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CON PROTEIN ALPHA, 2' 1 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA B . yes native no no . . 'N-TERMINAL DIMERISATION DOMAIN OF SGTAN-TERMINAL DIMERISATION DOMAIN OF SGTA' 19779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA _Entity.Sf_category entity _Entity.Sf_framecode SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA _Entity.Entry_ID 19779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVDDDDKMDNKKR LAYAIIQFLHDQLRHGGLSS DAQESLEVAIQCLETAFGVT VEDSDLALPQTLPEIFEAAA TGK ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9228.2247 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'N-TERMINAL DIMERISATION DOMAIN OF SGTAN-TERMINAL DIMERISATION DOMAIN OF SGTA' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP SGTA_HUMAN . O43765 . . . . . . . . . . . . . . 19779 1 2 no PDB 4CPG . "Solution Structure Of The Sgta N-terminal Domain" . . . . . 100.00 83 100.00 100.00 4.32e-52 . . . . 19779 1 3 no PDB 4GOD . "Crystal Structure Of The Sgta Homodimerization Domain" . . . . . 61.45 52 100.00 100.00 1.45e-26 . . . . 19779 1 4 no PDB 4GOE . "Crystal Structure Of The Sgta Homodimerization Domain With A Covalent Modification Of A Single C38" . . . . . 61.45 52 100.00 100.00 1.45e-26 . . . . 19779 1 5 no PDB 4GOF . "Crystal Structure Of The Sgta Homodimerization Domain With Covalent Modifications To Both C38" . . . . . 61.45 52 100.00 100.00 1.45e-26 . . . . 19779 1 6 no DBJ BAE01321 . "unnamed protein product [Macaca fascicularis]" . . . . . 83.13 313 100.00 100.00 5.15e-37 . . . . 19779 1 7 no DBJ BAG57017 . "unnamed protein product [Homo sapiens]" . . . . . 83.13 291 100.00 100.00 4.00e-38 . . . . 19779 1 8 no DBJ BAG73729 . "small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [synthetic construct]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 9 no EMBL CAA11565 . "small glutamine-rich tetratricopeptide (SGT) [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 10 no EMBL CAB39725 . "small glutamine-rich tetratricopeptide repeat containing protein [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 11 no EMBL CAB43297 . "hypothetical protein [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 12 no EMBL CAG38548 . "SGTA [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 13 no EMBL CAG47077 . "SGTA [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 14 no GB AAD13117 . "small glutamine-rich tetratricopeptide (SGT) [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 15 no GB AAH00390 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 16 no GB AAH02989 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 17 no GB AAH05165 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 18 no GB AAH08885 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 19 no PIR T08782 . "hypothetical protein DKFZp586N1020.1 - human (fragment)" . . . . . 84.34 349 100.00 100.00 1.05e-38 . . . . 19779 1 20 no REF NP_001181661 . "small glutamine-rich tetratricopeptide repeat-containing protein alpha [Macaca mulatta]" . . . . . 83.13 313 100.00 100.00 4.69e-37 . . . . 19779 1 21 no REF NP_003012 . "small glutamine-rich tetratricopeptide repeat-containing protein alpha [Homo sapiens]" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 1 22 no REF XP_001914923 . "PREDICTED: small glutamine-rich tetratricopeptide repeat-containing protein alpha-like [Equus caballus]" . . . . . 83.13 166 98.55 100.00 3.85e-40 . . . . 19779 1 23 no REF XP_002761612 . "PREDICTED: small glutamine-rich tetratricopeptide repeat-containing protein alpha [Callithrix jacchus]" . . . . . 83.13 313 98.55 98.55 4.71e-39 . . . . 19779 1 24 no REF XP_003277059 . "PREDICTED: small glutamine-rich tetratricopeptide repeat-containing protein alpha isoform X1 [Nomascus leucogenys]" . . . . . 83.13 313 98.55 98.55 4.25e-36 . . . . 19779 1 25 no SP O43765 . "RecName: Full=Small glutamine-rich tetratricopeptide repeat-containing protein alpha; AltName: Full=Alpha-SGT; AltName: Full=Vp" . . . . . 83.13 313 100.00 100.00 4.89e-37 . . . . 19779 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 . MET . 19779 1 2 . ALA . 19779 1 3 . HIS . 19779 1 4 . HIS . 19779 1 5 . HIS . 19779 1 6 . HIS . 19779 1 7 . HIS . 19779 1 8 . HIS . 19779 1 9 . VAL . 19779 1 10 . ASP . 19779 1 11 . ASP . 19779 1 12 . ASP . 19779 1 13 . ASP . 19779 1 14 . LYS . 19779 1 15 . MET . 19779 1 16 . ASP . 19779 1 17 . ASN . 19779 1 18 . LYS . 19779 1 19 . LYS . 19779 1 20 . ARG . 19779 1 21 . LEU . 19779 1 22 . ALA . 19779 1 23 . TYR . 19779 1 24 . ALA . 19779 1 25 . ILE . 19779 1 26 . ILE . 19779 1 27 . GLN . 19779 1 28 . PHE . 19779 1 29 . LEU . 19779 1 30 . HIS . 19779 1 31 . ASP . 19779 1 32 . GLN . 19779 1 33 . LEU . 19779 1 34 . ARG . 19779 1 35 . HIS . 19779 1 36 . GLY . 19779 1 37 . GLY . 19779 1 38 . LEU . 19779 1 39 . SER . 19779 1 40 . SER . 19779 1 41 . ASP . 19779 1 42 . ALA . 19779 1 43 . GLN . 19779 1 44 . GLU . 19779 1 45 . SER . 19779 1 46 . LEU . 19779 1 47 . GLU . 19779 1 48 . VAL . 19779 1 49 . ALA . 19779 1 50 . ILE . 19779 1 51 . GLN . 19779 1 52 . CYS . 19779 1 53 . LEU . 19779 1 54 . GLU . 19779 1 55 . THR . 19779 1 56 . ALA . 19779 1 57 . PHE . 19779 1 58 . GLY . 19779 1 59 . VAL . 19779 1 60 . THR . 19779 1 61 . VAL . 19779 1 62 . GLU . 19779 1 63 . ASP . 19779 1 64 . SER . 19779 1 65 . ASP . 19779 1 66 . LEU . 19779 1 67 . ALA . 19779 1 68 . LEU . 19779 1 69 . PRO . 19779 1 70 . GLN . 19779 1 71 . THR . 19779 1 72 . LEU . 19779 1 73 . PRO . 19779 1 74 . GLU . 19779 1 75 . ILE . 19779 1 76 . PHE . 19779 1 77 . GLU . 19779 1 78 . ALA . 19779 1 79 . ALA . 19779 1 80 . ALA . 19779 1 81 . THR . 19779 1 82 . GLY . 19779 1 83 . LYS . 19779 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 . MET 1 1 19779 1 . ALA 2 2 19779 1 . HIS 3 3 19779 1 . HIS 4 4 19779 1 . HIS 5 5 19779 1 . HIS 6 6 19779 1 . HIS 7 7 19779 1 . HIS 8 8 19779 1 . VAL 9 9 19779 1 . ASP 10 10 19779 1 . ASP 11 11 19779 1 . ASP 12 12 19779 1 . ASP 13 13 19779 1 . LYS 14 14 19779 1 . MET 15 15 19779 1 . ASP 16 16 19779 1 . ASN 17 17 19779 1 . LYS 18 18 19779 1 . LYS 19 19 19779 1 . ARG 20 20 19779 1 . LEU 21 21 19779 1 . ALA 22 22 19779 1 . TYR 23 23 19779 1 . ALA 24 24 19779 1 . ILE 25 25 19779 1 . ILE 26 26 19779 1 . GLN 27 27 19779 1 . PHE 28 28 19779 1 . LEU 29 29 19779 1 . HIS 30 30 19779 1 . ASP 31 31 19779 1 . GLN 32 32 19779 1 . LEU 33 33 19779 1 . ARG 34 34 19779 1 . HIS 35 35 19779 1 . GLY 36 36 19779 1 . GLY 37 37 19779 1 . LEU 38 38 19779 1 . SER 39 39 19779 1 . SER 40 40 19779 1 . ASP 41 41 19779 1 . ALA 42 42 19779 1 . GLN 43 43 19779 1 . GLU 44 44 19779 1 . SER 45 45 19779 1 . LEU 46 46 19779 1 . GLU 47 47 19779 1 . VAL 48 48 19779 1 . ALA 49 49 19779 1 . ILE 50 50 19779 1 . GLN 51 51 19779 1 . CYS 52 52 19779 1 . LEU 53 53 19779 1 . GLU 54 54 19779 1 . THR 55 55 19779 1 . ALA 56 56 19779 1 . PHE 57 57 19779 1 . GLY 58 58 19779 1 . VAL 59 59 19779 1 . THR 60 60 19779 1 . VAL 61 61 19779 1 . GLU 62 62 19779 1 . ASP 63 63 19779 1 . SER 64 64 19779 1 . ASP 65 65 19779 1 . LEU 66 66 19779 1 . ALA 67 67 19779 1 . LEU 68 68 19779 1 . PRO 69 69 19779 1 . GLN 70 70 19779 1 . THR 71 71 19779 1 . LEU 72 72 19779 1 . PRO 73 73 19779 1 . GLU 74 74 19779 1 . ILE 75 75 19779 1 . PHE 76 76 19779 1 . GLU 77 77 19779 1 . ALA 78 78 19779 1 . ALA 79 79 19779 1 . ALA 80 80 19779 1 . THR 81 81 19779 1 . GLY 82 82 19779 1 . LYS 83 83 19779 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 19779 _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 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19779 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 19779 _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 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . . . . . . . . n/a . . pET46 . . . . . . 19779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19779 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N SGTA 0.75mM' _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 'SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CON PROTEIN ALPHA' '[U-13C; U-15N]' . . 1 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA . . 0.75 . . mM . . . . 19779 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19779 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N SGTA 0.75mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CON PROTEIN ALPHA' '[U-13C; U-15N]' . . 1 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA . . 0.75 . . mM . . . . 19779 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19779 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N SGTA 0.4mM, 12C-14N SGTA 0.4mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CON PROTEIN ALPHA' '[U-13C; U-15N]' . . 1 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA . . 0.4 . . mM . . . . 19779 3 2 'SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CON PROTEIN ALPHA' 'natural abundance' . . 1 $SMALL_GLUTAMINE-RICH_TETRATRICOPEPTIDE_REPEAT-CON_PROTEIN_ALPHA . . 0.4 . . mM . . . . 19779 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19779 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [303], pressure [1], ionStrength [250.0]' 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' 250.000 . mM 19779 1 pH 6.000 . pH 19779 1 pressure 1.000 . atm 19779 1 temperature 303.000 . K 19779 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19779 _Software.ID 1 _Software.Name ARIA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19779 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19779 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19779 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID pDBe . . 19779 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19779 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19779 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19779 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19779 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19779 _Software.ID 4 _Software.Name NMRView _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19779 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19779 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19779 _Software.ID 5 _Software.Name TALOS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19779 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19779 5 stop_ save_ save_method_ARIA _Method.Sf_category method _Method.Sf_framecode method_ARIA _Method.Entry_ID 19779 _Method.ID 1 _Method.Derivation_type . _Method.Details ARIA _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-600 _NMR_spectrometer.Entry_ID 19779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Other_Other-950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Other_Other-950 _NMR_spectrometer.Entry_ID 19779 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Other _NMR_spectrometer.Model Other _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_Bruker_Avance-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-800 _NMR_spectrometer.Entry_ID 19779 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Bruker_Avance-700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-700 _NMR_spectrometer.Entry_ID 19779 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19779 _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 Bruker_Avance-600 Bruker Avance . 600 . . . 19779 1 2 Other_Other-950 Other Other . 950 . . . 19779 1 3 Bruker_Avance-800 Bruker Avance . 800 . . . 19779 1 4 Bruker_Avance-700 Bruker Avance . 700 . . . 19779 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 19779 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 7 '3D H(CCCO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 8 '3D (H)CCCONH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Other_Other-950 . . . . . . . . . . . . . . . . 19779 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 11 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 19779 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 3 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 19779 1 13 '3D F1 1H(13C' no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 4 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 19779 1 14 '15N)-reject 13C NOESY' no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 4 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 19779 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19779 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 internal indirect 0.25144953 . . . . . . . . . 19779 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . . . . . 19779 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 19779 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_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4cpg/ebi/bmrb_construct.csh' _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 '2D 1H-15N HSQC' 1 $sample_1 solution 19779 1 2 '3D HNCACB' 1 $sample_1 solution 19779 1 3 '3D CBCA(CO)NH' 1 $sample_1 solution 19779 1 4 '3D HNCO' 1 $sample_1 solution 19779 1 5 '3D HN(CA)CO' 1 $sample_1 solution 19779 1 6 '3D HBHA(CO)NH' 1 $sample_1 solution 19779 1 7 '3D H(CCCO)NH' 1 $sample_1 solution 19779 1 8 '3D (H)CCCONH' 1 $sample_1 solution 19779 1 9 '3D 1H-15N NOESY' 1 $sample_1 solution 19779 1 10 '3D HCCH-TOCSY' 2 $sample_2 solution 19779 1 11 '3D (H)CCH-TOCSY' 2 $sample_2 solution 19779 1 12 '3D 1H-13C NOESY' 2 $sample_2 solution 19779 1 13 '3D F1 1H(13C' 3 $sample_3 solution 19779 1 14 '15N)-reject 13C NOESY' 3 $sample_3 solution 19779 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ARIA 1 $method_ARIA 19779 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 . 2 1 15 15 MET H H 1 7.973 . . 1 . 5 . . 15 MET H . 19779 1 2 . 2 1 15 15 MET HA H 1 4.435 . . 1 . 6 . . 15 MET HA . 19779 1 3 . 2 1 15 15 MET HB2 H 1 2.011 . . 1 . 7 . . 15 MET HB2 . 19779 1 4 . 2 1 15 15 MET HB3 H 1 2.011 . . 1 . 8 . . 15 MET HB3 . 19779 1 5 . 2 1 15 15 MET HG2 H 1 2.570 . . 2 . 9 . . 15 MET HG2 . 19779 1 6 . 2 1 15 15 MET HG3 H 1 2.475 . . 2 . 10 . . 15 MET HG3 . 19779 1 7 . 2 1 15 15 MET C C 13 175.826 . . 1 . 1 . . 15 MET C . 19779 1 8 . 2 1 15 15 MET CA C 13 55.375 . . 1 . 2 . . 15 MET CA . 19779 1 9 . 2 1 15 15 MET CB C 13 32.392 . . 1 . 3 . . 15 MET CB . 19779 1 10 . 2 1 15 15 MET CG C 13 32.376 . . 1 . 4 . . 15 MET CG . 19779 1 11 . 2 1 15 15 MET N N 15 118.186 . . 1 . 11 . . 15 MET N . 19779 1 12 . 2 1 16 16 ASP H H 1 7.976 . . 1 . 15 . . 16 ASP H . 19779 1 13 . 2 1 16 16 ASP HA H 1 4.587 . . 1 . 16 . . 16 ASP HA . 19779 1 14 . 2 1 16 16 ASP HB2 H 1 2.714 . . 2 . 17 . . 16 ASP HB2 . 19779 1 15 . 2 1 16 16 ASP HB3 H 1 2.869 . . 2 . 18 . . 16 ASP HB3 . 19779 1 16 . 2 1 16 16 ASP C C 13 177.130 . . 1 . 12 . . 16 ASP C . 19779 1 17 . 2 1 16 16 ASP CA C 13 54.280 . . 1 . 13 . . 16 ASP CA . 19779 1 18 . 2 1 16 16 ASP CB C 13 41.538 . . 1 . 14 . . 16 ASP CB . 19779 1 19 . 2 1 16 16 ASP N N 15 121.227 . . 1 . 19 . . 16 ASP N . 19779 1 20 . 2 1 17 17 ASN H H 1 8.778 . . 1 . 23 . . 17 ASN H . 19779 1 21 . 2 1 17 17 ASN HA H 1 4.633 . . 1 . 24 . . 17 ASN HA . 19779 1 22 . 2 1 17 17 ASN HB2 H 1 2.847 . . 2 . 25 . . 17 ASN HB2 . 19779 1 23 . 2 1 17 17 ASN HB3 H 1 2.935 . . 2 . 26 . . 17 ASN HB3 . 19779 1 24 . 2 1 17 17 ASN HD21 H 1 7.832 . . 1 . 27 . . 17 ASN HD21 . 19779 1 25 . 2 1 17 17 ASN HD22 H 1 6.828 . . 1 . 28 . . 17 ASN HD22 . 19779 1 26 . 2 1 17 17 ASN C C 13 177.702 . . 1 . 20 . . 17 ASN C . 19779 1 27 . 2 1 17 17 ASN CA C 13 56.000 . . 1 . 21 . . 17 ASN CA . 19779 1 28 . 2 1 17 17 ASN CB C 13 38.099 . . 1 . 22 . . 17 ASN CB . 19779 1 29 . 2 1 17 17 ASN N N 15 121.490 . . 1 . 29 . . 17 ASN N . 19779 1 30 . 2 1 17 17 ASN ND2 N 15 111.380 . . 1 . 30 . . 17 ASN ND2 . 19779 1 31 . 2 1 18 18 LYS H H 1 8.445 . . 1 . 37 . . 18 LYS H . 19779 1 32 . 2 1 18 18 LYS HA H 1 3.929 . . 1 . 38 . . 18 LYS HA . 19779 1 33 . 2 1 18 18 LYS HB2 H 1 1.980 . . 2 . 39 . . 18 LYS HB2 . 19779 1 34 . 2 1 18 18 LYS HB3 H 1 2.050 . . 2 . 40 . . 18 LYS HB3 . 19779 1 35 . 2 1 18 18 LYS HG2 H 1 1.490 . . 2 . 45 . . 18 LYS HG2 . 19779 1 36 . 2 1 18 18 LYS HG3 H 1 1.597 . . 2 . 46 . . 18 LYS HG3 . 19779 1 37 . 2 1 18 18 LYS HD2 H 1 1.867 . . 2 . 41 . . 18 LYS HD2 . 19779 1 38 . 2 1 18 18 LYS HD3 H 1 1.868 . . 2 . 42 . . 18 LYS HD3 . 19779 1 39 . 2 1 18 18 LYS HE2 H 1 3.112 . . 1 . 43 . . 18 LYS HE2 . 19779 1 40 . 2 1 18 18 LYS HE3 H 1 3.112 . . 1 . 44 . . 18 LYS HE3 . 19779 1 41 . 2 1 18 18 LYS C C 13 178.274 . . 1 . 31 . . 18 LYS C . 19779 1 42 . 2 1 18 18 LYS CA C 13 60.292 . . 1 . 32 . . 18 LYS CA . 19779 1 43 . 2 1 18 18 LYS CB C 13 31.454 . . 1 . 33 . . 18 LYS CB . 19779 1 44 . 2 1 18 18 LYS CG C 13 25.447 . . 1 . 36 . . 18 LYS CG . 19779 1 45 . 2 1 18 18 LYS CD C 13 29.166 . . 1 . 34 . . 18 LYS CD . 19779 1 46 . 2 1 18 18 LYS CE C 13 41.715 . . 1 . 35 . . 18 LYS CE . 19779 1 47 . 2 1 18 18 LYS N N 15 122.962 . . 1 . 47 . . 18 LYS N . 19779 1 48 . 2 1 19 19 LYS H H 1 7.758 . . 1 . 54 . . 19 LYS H . 19779 1 49 . 2 1 19 19 LYS HA H 1 3.833 . . 1 . 55 . . 19 LYS HA . 19779 1 50 . 2 1 19 19 LYS HB2 H 1 1.746 . . 2 . 56 . . 19 LYS HB2 . 19779 1 51 . 2 1 19 19 LYS HB3 H 1 2.006 . . 2 . 57 . . 19 LYS HB3 . 19779 1 52 . 2 1 19 19 LYS HG2 H 1 1.424 . . 1 . 62 . . 19 LYS HG2 . 19779 1 53 . 2 1 19 19 LYS HG3 H 1 1.424 . . 1 . 63 . . 19 LYS HG3 . 19779 1 54 . 2 1 19 19 LYS HD2 H 1 1.706 . . 1 . 58 . . 19 LYS HD2 . 19779 1 55 . 2 1 19 19 LYS HD3 H 1 1.706 . . 1 . 59 . . 19 LYS HD3 . 19779 1 56 . 2 1 19 19 LYS HE2 H 1 3.100 . . 1 . 60 . . 19 LYS HE2 . 19779 1 57 . 2 1 19 19 LYS HE3 H 1 3.100 . . 1 . 61 . . 19 LYS HE3 . 19779 1 58 . 2 1 19 19 LYS C C 13 178.810 . . 1 . 48 . . 19 LYS C . 19779 1 59 . 2 1 19 19 LYS CA C 13 60.192 . . 1 . 49 . . 19 LYS CA . 19779 1 60 . 2 1 19 19 LYS CB C 13 32.627 . . 1 . 50 . . 19 LYS CB . 19779 1 61 . 2 1 19 19 LYS CG C 13 26.853 . . 1 . 53 . . 19 LYS CG . 19779 1 62 . 2 1 19 19 LYS CD C 13 29.166 . . 1 . 51 . . 19 LYS CD . 19779 1 63 . 2 1 19 19 LYS CE C 13 42.116 . . 1 . 52 . . 19 LYS CE . 19779 1 64 . 2 1 19 19 LYS N N 15 118.748 . . 1 . 64 . . 19 LYS N . 19779 1 65 . 2 1 20 20 ARG H H 1 8.136 . . 1 . 70 . . 20 ARG H . 19779 1 66 . 2 1 20 20 ARG HA H 1 4.074 . . 1 . 71 . . 20 ARG HA . 19779 1 67 . 2 1 20 20 ARG HB2 H 1 2.146 . . 1 . 72 . . 20 ARG HB2 . 19779 1 68 . 2 1 20 20 ARG HB3 H 1 2.146 . . 1 . 73 . . 20 ARG HB3 . 19779 1 69 . 2 1 20 20 ARG HG2 H 1 1.738 . . 2 . 76 . . 20 ARG HG2 . 19779 1 70 . 2 1 20 20 ARG HG3 H 1 1.758 . . 2 . 77 . . 20 ARG HG3 . 19779 1 71 . 2 1 20 20 ARG HD2 H 1 3.298 . . 2 . 74 . . 20 ARG HD2 . 19779 1 72 . 2 1 20 20 ARG HD3 H 1 3.294 . . 2 . 75 . . 20 ARG HD3 . 19779 1 73 . 2 1 20 20 ARG C C 13 178.828 . . 1 . 65 . . 20 ARG C . 19779 1 74 . 2 1 20 20 ARG CA C 13 60.894 . . 1 . 66 . . 20 ARG CA . 19779 1 75 . 2 1 20 20 ARG CB C 13 30.438 . . 1 . 67 . . 20 ARG CB . 19779 1 76 . 2 1 20 20 ARG CG C 13 28.680 . . 1 . 69 . . 20 ARG CG . 19779 1 77 . 2 1 20 20 ARG CD C 13 44.526 . . 1 . 68 . . 20 ARG CD . 19779 1 78 . 2 1 20 20 ARG N N 15 116.501 . . 1 . 78 . . 20 ARG N . 19779 1 79 . 2 1 21 21 LEU H H 1 7.940 . . 1 . 85 . . 21 LEU H . 19779 1 80 . 2 1 21 21 LEU HA H 1 2.981 . . 1 . 86 . . 21 LEU HA . 19779 1 81 . 2 1 21 21 LEU HB2 H 1 1.321 . . 2 . 87 . . 21 LEU HB2 . 19779 1 82 . 2 1 21 21 LEU HB3 H 1 0.424 . . 2 . 88 . . 21 LEU HB3 . 19779 1 83 . 2 1 21 21 LEU HG H 1 0.576 . . 1 . 91 . . 21 LEU HG . 19779 1 84 . 2 1 21 21 LEU HD11 H 1 0.082 . . 1 . 89 . . 21 LEU HD11 . 19779 1 85 . 2 1 21 21 LEU HD12 H 1 0.082 . . 1 . 89 . . 21 LEU HD12 . 19779 1 86 . 2 1 21 21 LEU HD13 H 1 0.082 . . 1 . 89 . . 21 LEU HD13 . 19779 1 87 . 2 1 21 21 LEU HD21 H 1 -0.313 . . 1 . 90 . . 21 LEU HD21 . 19779 1 88 . 2 1 21 21 LEU HD22 H 1 -0.313 . . 1 . 90 . . 21 LEU HD22 . 19779 1 89 . 2 1 21 21 LEU HD23 H 1 -0.313 . . 1 . 90 . . 21 LEU HD23 . 19779 1 90 . 2 1 21 21 LEU C C 13 177.363 . . 1 . 79 . . 21 LEU C . 19779 1 91 . 2 1 21 21 LEU CA C 13 57.296 . . 1 . 80 . . 21 LEU CA . 19779 1 92 . 2 1 21 21 LEU CB C 13 39.733 . . 1 . 81 . . 21 LEU CB . 19779 1 93 . 2 1 21 21 LEU CG C 13 26.441 . . 1 . 84 . . 21 LEU CG . 19779 1 94 . 2 1 21 21 LEU CD1 C 13 21.671 . . 2 . 82 . . 21 LEU CD1 . 19779 1 95 . 2 1 21 21 LEU CD2 C 13 24.984 . . 2 . 83 . . 21 LEU CD2 . 19779 1 96 . 2 1 21 21 LEU N N 15 123.996 . . 1 . 92 . . 21 LEU N . 19779 1 97 . 2 1 22 22 ALA H H 1 7.962 . . 1 . 96 . . 22 ALA H . 19779 1 98 . 2 1 22 22 ALA HA H 1 3.437 . . 1 . 97 . . 22 ALA HA . 19779 1 99 . 2 1 22 22 ALA HB1 H 1 0.859 . . 1 . 98 . . 22 ALA HB1 . 19779 1 100 . 2 1 22 22 ALA HB2 H 1 0.859 . . 1 . 98 . . 22 ALA HB2 . 19779 1 101 . 2 1 22 22 ALA HB3 H 1 0.859 . . 1 . 98 . . 22 ALA HB3 . 19779 1 102 . 2 1 22 22 ALA C C 13 178.971 . . 1 . 93 . . 22 ALA C . 19779 1 103 . 2 1 22 22 ALA CA C 13 56.000 . . 1 . 94 . . 22 ALA CA . 19779 1 104 . 2 1 22 22 ALA CB C 13 16.999 . . 1 . 95 . . 22 ALA CB . 19779 1 105 . 2 1 22 22 ALA N N 15 121.227 . . 1 . 99 . . 22 ALA N . 19779 1 106 . 2 1 23 23 TYR H H 1 8.302 . . 1 . 107 . . 23 TYR H . 19779 1 107 . 2 1 23 23 TYR HA H 1 3.699 . . 1 . 108 . . 23 TYR HA . 19779 1 108 . 2 1 23 23 TYR HB2 H 1 2.946 . . 2 . 109 . . 23 TYR HB2 . 19779 1 109 . 2 1 23 23 TYR HB3 H 1 3.046 . . 2 . 110 . . 23 TYR HB3 . 19779 1 110 . 2 1 23 23 TYR HD1 H 1 6.940 . . 1 . 111 . . 23 TYR HD1 . 19779 1 111 . 2 1 23 23 TYR HD2 H 1 6.940 . . 1 . 112 . . 23 TYR HD2 . 19779 1 112 . 2 1 23 23 TYR HE1 H 1 6.681 . . 1 . 113 . . 23 TYR HE1 . 19779 1 113 . 2 1 23 23 TYR HE2 H 1 6.681 . . 1 . 114 . . 23 TYR HE2 . 19779 1 114 . 2 1 23 23 TYR C C 13 175.844 . . 1 . 100 . . 23 TYR C . 19779 1 115 . 2 1 23 23 TYR CA C 13 62.702 . . 1 . 101 . . 23 TYR CA . 19779 1 116 . 2 1 23 23 TYR CB C 13 38.830 . . 1 . 102 . . 23 TYR CB . 19779 1 117 . 2 1 23 23 TYR CD1 C 13 133.335 . . 1 . 103 . . 23 TYR CD1 . 19779 1 118 . 2 1 23 23 TYR CD2 C 13 133.335 . . 1 . 104 . . 23 TYR CD2 . 19779 1 119 . 2 1 23 23 TYR CE1 C 13 118.025 . . 1 . 105 . . 23 TYR CE1 . 19779 1 120 . 2 1 23 23 TYR CE2 C 13 118.025 . . 1 . 106 . . 23 TYR CE2 . 19779 1 121 . 2 1 23 23 TYR N N 15 117.019 . . 1 . 115 . . 23 TYR N . 19779 1 122 . 2 1 24 24 ALA H H 1 7.979 . . 1 . 119 . . 24 ALA H . 19779 1 123 . 2 1 24 24 ALA HA H 1 4.114 . . 1 . 120 . . 24 ALA HA . 19779 1 124 . 2 1 24 24 ALA HB1 H 1 1.659 . . 1 . 121 . . 24 ALA HB1 . 19779 1 125 . 2 1 24 24 ALA HB2 H 1 1.659 . . 1 . 121 . . 24 ALA HB2 . 19779 1 126 . 2 1 24 24 ALA HB3 H 1 1.659 . . 1 . 121 . . 24 ALA HB3 . 19779 1 127 . 2 1 24 24 ALA C C 13 181.509 . . 1 . 116 . . 24 ALA C . 19779 1 128 . 2 1 24 24 ALA CA C 13 55.062 . . 1 . 117 . . 24 ALA CA . 19779 1 129 . 2 1 24 24 ALA CB C 13 18.790 . . 1 . 118 . . 24 ALA CB . 19779 1 130 . 2 1 24 24 ALA N N 15 121.551 . . 1 . 122 . . 24 ALA N . 19779 1 131 . 2 1 25 25 ILE H H 1 8.464 . . 1 . 129 . . 25 ILE H . 19779 1 132 . 2 1 25 25 ILE HA H 1 3.537 . . 1 . 130 . . 25 ILE HA . 19779 1 133 . 2 1 25 25 ILE HB H 1 1.976 . . 1 . 131 . . 25 ILE HB . 19779 1 134 . 2 1 25 25 ILE HG12 H 1 0.472 . . 1 . 133 . . 25 ILE HG12 . 19779 1 135 . 2 1 25 25 ILE HG13 H 1 0.472 . . 1 . 134 . . 25 ILE HG13 . 19779 1 136 . 2 1 25 25 ILE HG21 H 1 0.814 . . 1 . 135 . . 25 ILE HG21 . 19779 1 137 . 2 1 25 25 ILE HG22 H 1 0.814 . . 1 . 135 . . 25 ILE HG22 . 19779 1 138 . 2 1 25 25 ILE HG23 H 1 0.814 . . 1 . 135 . . 25 ILE HG23 . 19779 1 139 . 2 1 25 25 ILE HD11 H 1 0.613 . . 1 . 132 . . 25 ILE HD11 . 19779 1 140 . 2 1 25 25 ILE HD12 H 1 0.613 . . 1 . 132 . . 25 ILE HD12 . 19779 1 141 . 2 1 25 25 ILE HD13 H 1 0.613 . . 1 . 132 . . 25 ILE HD13 . 19779 1 142 . 2 1 25 25 ILE C C 13 177.059 . . 1 . 123 . . 25 ILE C . 19779 1 143 . 2 1 25 25 ILE CA C 13 66.241 . . 1 . 124 . . 25 ILE CA . 19779 1 144 . 2 1 25 25 ILE CB C 13 38.200 . . 1 . 125 . . 25 ILE CB . 19779 1 145 . 2 1 25 25 ILE CG1 C 13 29.520 . . 1 . 127 . . 25 ILE CG1 . 19779 1 146 . 2 1 25 25 ILE CG2 C 13 17.816 . . 1 . 128 . . 25 ILE CG2 . 19779 1 147 . 2 1 25 25 ILE CD1 C 13 14.903 . . 1 . 126 . . 25 ILE CD1 . 19779 1 148 . 2 1 25 25 ILE N N 15 119.375 . . 1 . 136 . . 25 ILE N . 19779 1 149 . 2 1 26 26 ILE H H 1 8.382 . . 1 . 143 . . 26 ILE H . 19779 1 150 . 2 1 26 26 ILE HA H 1 3.456 . . 1 . 144 . . 26 ILE HA . 19779 1 151 . 2 1 26 26 ILE HB H 1 1.808 . . 1 . 145 . . 26 ILE HB . 19779 1 152 . 2 1 26 26 ILE HG12 H 1 1.656 . . 2 . 147 . . 26 ILE HG12 . 19779 1 153 . 2 1 26 26 ILE HG13 H 1 1.048 . . 2 . 148 . . 26 ILE HG13 . 19779 1 154 . 2 1 26 26 ILE HG21 H 1 0.870 . . 1 . 149 . . 26 ILE HG21 . 19779 1 155 . 2 1 26 26 ILE HG22 H 1 0.870 . . 1 . 149 . . 26 ILE HG22 . 19779 1 156 . 2 1 26 26 ILE HG23 H 1 0.870 . . 1 . 149 . . 26 ILE HG23 . 19779 1 157 . 2 1 26 26 ILE HD11 H 1 0.703 . . 1 . 146 . . 26 ILE HD11 . 19779 1 158 . 2 1 26 26 ILE HD12 H 1 0.703 . . 1 . 146 . . 26 ILE HD12 . 19779 1 159 . 2 1 26 26 ILE HD13 H 1 0.703 . . 1 . 146 . . 26 ILE HD13 . 19779 1 160 . 2 1 26 26 ILE C C 13 177.595 . . 1 . 137 . . 26 ILE C . 19779 1 161 . 2 1 26 26 ILE CA C 13 67.123 . . 1 . 138 . . 26 ILE CA . 19779 1 162 . 2 1 26 26 ILE CB C 13 38.100 . . 1 . 139 . . 26 ILE CB . 19779 1 163 . 2 1 26 26 ILE CG1 C 13 30.769 . . 1 . 141 . . 26 ILE CG1 . 19779 1 164 . 2 1 26 26 ILE CG2 C 13 18.418 . . 1 . 142 . . 26 ILE CG2 . 19779 1 165 . 2 1 26 26 ILE CD1 C 13 14.602 . . 1 . 140 . . 26 ILE CD1 . 19779 1 166 . 2 1 26 26 ILE N N 15 120.990 . . 1 . 150 . . 26 ILE N . 19779 1 167 . 2 1 27 27 GLN H H 1 8.718 . . 1 . 155 . . 27 GLN H . 19779 1 168 . 2 1 27 27 GLN HA H 1 3.925 . . 1 . 156 . . 27 GLN HA . 19779 1 169 . 2 1 27 27 GLN HB2 H 1 1.712 . . 2 . 157 . . 27 GLN HB2 . 19779 1 170 . 2 1 27 27 GLN HB3 H 1 2.089 . . 2 . 158 . . 27 GLN HB3 . 19779 1 171 . 2 1 27 27 GLN HG2 H 1 2.261 . . 2 . 161 . . 27 GLN HG2 . 19779 1 172 . 2 1 27 27 GLN HG3 H 1 1.937 . . 2 . 162 . . 27 GLN HG3 . 19779 1 173 . 2 1 27 27 GLN HE21 H 1 6.938 . . 1 . 159 . . 27 GLN HE21 . 19779 1 174 . 2 1 27 27 GLN HE22 H 1 6.801 . . 1 . 160 . . 27 GLN HE22 . 19779 1 175 . 2 1 27 27 GLN C C 13 178.417 . . 1 . 151 . . 27 GLN C . 19779 1 176 . 2 1 27 27 GLN CA C 13 59.518 . . 1 . 152 . . 27 GLN CA . 19779 1 177 . 2 1 27 27 GLN CB C 13 28.405 . . 1 . 153 . . 27 GLN CB . 19779 1 178 . 2 1 27 27 GLN CG C 13 33.681 . . 1 . 154 . . 27 GLN CG . 19779 1 179 . 2 1 27 27 GLN N N 15 119.674 . . 1 . 163 . . 27 GLN N . 19779 1 180 . 2 1 27 27 GLN NE2 N 15 112.000 . . 1 . 164 . . 27 GLN NE2 . 19779 1 181 . 2 1 28 28 PHE H H 1 7.656 . . 1 . 173 . . 28 PHE H . 19779 1 182 . 2 1 28 28 PHE HA H 1 4.749 . . 1 . 174 . . 28 PHE HA . 19779 1 183 . 2 1 28 28 PHE HB2 H 1 3.330 . . 2 . 175 . . 28 PHE HB2 . 19779 1 184 . 2 1 28 28 PHE HB3 H 1 3.380 . . 2 . 176 . . 28 PHE HB3 . 19779 1 185 . 2 1 28 28 PHE HD1 H 1 7.180 . . 1 . 177 . . 28 PHE HD1 . 19779 1 186 . 2 1 28 28 PHE HD2 H 1 7.180 . . 1 . 178 . . 28 PHE HD2 . 19779 1 187 . 2 1 28 28 PHE HE1 H 1 6.955 . . 1 . 179 . . 28 PHE HE1 . 19779 1 188 . 2 1 28 28 PHE HE2 H 1 6.955 . . 1 . 180 . . 28 PHE HE2 . 19779 1 189 . 2 1 28 28 PHE HZ H 1 6.840 . . 1 . 181 . . 28 PHE HZ . 19779 1 190 . 2 1 28 28 PHE C C 13 176.916 . . 1 . 165 . . 28 PHE C . 19779 1 191 . 2 1 28 28 PHE CA C 13 59.991 . . 1 . 166 . . 28 PHE CA . 19779 1 192 . 2 1 28 28 PHE CB C 13 39.305 . . 1 . 167 . . 28 PHE CB . 19779 1 193 . 2 1 28 28 PHE CD1 C 13 132.242 . . 1 . 168 . . 28 PHE CD1 . 19779 1 194 . 2 1 28 28 PHE CD2 C 13 132.242 . . 1 . 169 . . 28 PHE CD2 . 19779 1 195 . 2 1 28 28 PHE CE1 C 13 131.148 . . 1 . 170 . . 28 PHE CE1 . 19779 1 196 . 2 1 28 28 PHE CE2 C 13 131.148 . . 1 . 171 . . 28 PHE CE2 . 19779 1 197 . 2 1 28 28 PHE CZ C 13 129.508 . . 1 . 172 . . 28 PHE CZ . 19779 1 198 . 2 1 28 28 PHE N N 15 120.724 . . 1 . 182 . . 28 PHE N . 19779 1 199 . 2 1 29 29 LEU H H 1 8.531 . . 1 . 189 . . 29 LEU H . 19779 1 200 . 2 1 29 29 LEU HA H 1 3.517 . . 1 . 190 . . 29 LEU HA . 19779 1 201 . 2 1 29 29 LEU HB2 H 1 1.155 . . 2 . 191 . . 29 LEU HB2 . 19779 1 202 . 2 1 29 29 LEU HB3 H 1 1.937 . . 2 . 192 . . 29 LEU HB3 . 19779 1 203 . 2 1 29 29 LEU HG H 1 0.803 . . 1 . 195 . . 29 LEU HG . 19779 1 204 . 2 1 29 29 LEU HD11 H 1 0.860 . . 1 . 193 . . 29 LEU HD11 . 19779 1 205 . 2 1 29 29 LEU HD12 H 1 0.860 . . 1 . 193 . . 29 LEU HD12 . 19779 1 206 . 2 1 29 29 LEU HD13 H 1 0.860 . . 1 . 193 . . 29 LEU HD13 . 19779 1 207 . 2 1 29 29 LEU HD21 H 1 0.581 . . 1 . 194 . . 29 LEU HD21 . 19779 1 208 . 2 1 29 29 LEU HD22 H 1 0.581 . . 1 . 194 . . 29 LEU HD22 . 19779 1 209 . 2 1 29 29 LEU HD23 H 1 0.581 . . 1 . 194 . . 29 LEU HD23 . 19779 1 210 . 2 1 29 29 LEU C C 13 178.703 . . 1 . 183 . . 29 LEU C . 19779 1 211 . 2 1 29 29 LEU CA C 13 58.033 . . 1 . 184 . . 29 LEU CA . 19779 1 212 . 2 1 29 29 LEU CB C 13 40.911 . . 1 . 185 . . 29 LEU CB . 19779 1 213 . 2 1 29 29 LEU CG C 13 27.219 . . 1 . 188 . . 29 LEU CG . 19779 1 214 . 2 1 29 29 LEU CD1 C 13 22.255 . . 2 . 186 . . 29 LEU CD1 . 19779 1 215 . 2 1 29 29 LEU CD2 C 13 27.219 . . 2 . 187 . . 29 LEU CD2 . 19779 1 216 . 2 1 29 29 LEU N N 15 118.987 . . 1 . 196 . . 29 LEU N . 19779 1 217 . 2 1 30 30 HIS H H 1 8.741 . . 1 . 202 . . 30 HIS H . 19779 1 218 . 2 1 30 30 HIS HA H 1 3.953 . . 1 . 203 . . 30 HIS HA . 19779 1 219 . 2 1 30 30 HIS HB2 H 1 3.127 . . 2 . 204 . . 30 HIS HB2 . 19779 1 220 . 2 1 30 30 HIS HB3 H 1 3.125 . . 2 . 205 . . 30 HIS HB3 . 19779 1 221 . 2 1 30 30 HIS HD2 H 1 7.162 . . 1 . 206 . . 30 HIS HD2 . 19779 1 222 . 2 1 30 30 HIS HE1 H 1 8.366 . . 1 . 207 . . 30 HIS HE1 . 19779 1 223 . 2 1 30 30 HIS C C 13 177.613 . . 1 . 197 . . 30 HIS C . 19779 1 224 . 2 1 30 30 HIS CA C 13 60.493 . . 1 . 198 . . 30 HIS CA . 19779 1 225 . 2 1 30 30 HIS CB C 13 29.866 . . 1 . 199 . . 30 HIS CB . 19779 1 226 . 2 1 30 30 HIS CD2 C 13 119.666 . . 1 . 200 . . 30 HIS CD2 . 19779 1 227 . 2 1 30 30 HIS CE1 C 13 137.163 . . 1 . 201 . . 30 HIS CE1 . 19779 1 228 . 2 1 30 30 HIS N N 15 118.717 . . 1 . 208 . . 30 HIS N . 19779 1 229 . 2 1 31 31 ASP H H 1 8.314 . . 1 . 212 . . 31 ASP H . 19779 1 230 . 2 1 31 31 ASP HA H 1 4.361 . . 1 . 213 . . 31 ASP HA . 19779 1 231 . 2 1 31 31 ASP HB2 H 1 2.808 . . 2 . 214 . . 31 ASP HB2 . 19779 1 232 . 2 1 31 31 ASP HB3 H 1 2.928 . . 2 . 215 . . 31 ASP HB3 . 19779 1 233 . 2 1 31 31 ASP C C 13 179.007 . . 1 . 209 . . 31 ASP C . 19779 1 234 . 2 1 31 31 ASP CA C 13 57.798 . . 1 . 210 . . 31 ASP CA . 19779 1 235 . 2 1 31 31 ASP CB C 13 41.414 . . 1 . 211 . . 31 ASP CB . 19779 1 236 . 2 1 31 31 ASP N N 15 120.434 . . 1 . 216 . . 31 ASP N . 19779 1 237 . 2 1 32 32 GLN H H 1 8.054 . . 1 . 221 . . 32 GLN H . 19779 1 238 . 2 1 32 32 GLN HA H 1 3.666 . . 1 . 222 . . 32 GLN HA . 19779 1 239 . 2 1 32 32 GLN HB2 H 1 1.885 . . 2 . 223 . . 32 GLN HB2 . 19779 1 240 . 2 1 32 32 GLN HB3 H 1 1.884 . . 2 . 224 . . 32 GLN HB3 . 19779 1 241 . 2 1 32 32 GLN HG2 H 1 1.885 . . 2 . 227 . . 32 GLN HG2 . 19779 1 242 . 2 1 32 32 GLN HG3 H 1 1.454 . . 2 . 228 . . 32 GLN HG3 . 19779 1 243 . 2 1 32 32 GLN HE21 H 1 7.063 . . 1 . 225 . . 32 GLN HE21 . 19779 1 244 . 2 1 32 32 GLN HE22 H 1 6.987 . . 1 . 226 . . 32 GLN HE22 . 19779 1 245 . 2 1 32 32 GLN C C 13 178.417 . . 1 . 217 . . 32 GLN C . 19779 1 246 . 2 1 32 32 GLN CA C 13 57.485 . . 1 . 218 . . 32 GLN CA . 19779 1 247 . 2 1 32 32 GLN CB C 13 28.500 . . 1 . 219 . . 32 GLN CB . 19779 1 248 . 2 1 32 32 GLN CG C 13 34.786 . . 1 . 220 . . 32 GLN CG . 19779 1 249 . 2 1 32 32 GLN N N 15 118.070 . . 1 . 229 . . 32 GLN N . 19779 1 250 . 2 1 32 32 GLN NE2 N 15 114.810 . . 1 . 230 . . 32 GLN NE2 . 19779 1 251 . 2 1 33 33 LEU H H 1 7.928 . . 1 . 237 . . 33 LEU H . 19779 1 252 . 2 1 33 33 LEU HA H 1 3.772 . . 1 . 238 . . 33 LEU HA . 19779 1 253 . 2 1 33 33 LEU HB2 H 1 1.678 . . 2 . 239 . . 33 LEU HB2 . 19779 1 254 . 2 1 33 33 LEU HB3 H 1 1.677 . . 2 . 240 . . 33 LEU HB3 . 19779 1 255 . 2 1 33 33 LEU HG H 1 1.488 . . 1 . 243 . . 33 LEU HG . 19779 1 256 . 2 1 33 33 LEU HD11 H 1 0.816 . . 1 . 241 . . 33 LEU HD11 . 19779 1 257 . 2 1 33 33 LEU HD12 H 1 0.816 . . 1 . 241 . . 33 LEU HD12 . 19779 1 258 . 2 1 33 33 LEU HD13 H 1 0.816 . . 1 . 241 . . 33 LEU HD13 . 19779 1 259 . 2 1 33 33 LEU HD21 H 1 0.815 . . 1 . 242 . . 33 LEU HD21 . 19779 1 260 . 2 1 33 33 LEU HD22 H 1 0.815 . . 1 . 242 . . 33 LEU HD22 . 19779 1 261 . 2 1 33 33 LEU HD23 H 1 0.815 . . 1 . 242 . . 33 LEU HD23 . 19779 1 262 . 2 1 33 33 LEU C C 13 177.863 . . 1 . 231 . . 33 LEU C . 19779 1 263 . 2 1 33 33 LEU CA C 13 58.183 . . 1 . 232 . . 33 LEU CA . 19779 1 264 . 2 1 33 33 LEU CB C 13 42.164 . . 1 . 233 . . 33 LEU CB . 19779 1 265 . 2 1 33 33 LEU CG C 13 26.954 . . 1 . 236 . . 33 LEU CG . 19779 1 266 . 2 1 33 33 LEU CD1 C 13 25.347 . . 1 . 234 . . 33 LEU CD1 . 19779 1 267 . 2 1 33 33 LEU CD2 C 13 25.347 . . 1 . 235 . . 33 LEU CD2 . 19779 1 268 . 2 1 33 33 LEU N N 15 120.749 . . 1 . 244 . . 33 LEU N . 19779 1 269 . 2 1 34 34 ARG H H 1 7.426 . . 1 . 250 . . 34 ARG H . 19779 1 270 . 2 1 34 34 ARG HA H 1 4.035 . . 1 . 251 . . 34 ARG HA . 19779 1 271 . 2 1 34 34 ARG HB2 H 1 1.307 . . 2 . 252 . . 34 ARG HB2 . 19779 1 272 . 2 1 34 34 ARG HB3 H 1 1.370 . . 2 . 253 . . 34 ARG HB3 . 19779 1 273 . 2 1 34 34 ARG HG2 H 1 1.315 . . 1 . 256 . . 34 ARG HG2 . 19779 1 274 . 2 1 34 34 ARG HG3 H 1 1.315 . . 1 . 257 . . 34 ARG HG3 . 19779 1 275 . 2 1 34 34 ARG HD2 H 1 2.998 . . 1 . 254 . . 34 ARG HD2 . 19779 1 276 . 2 1 34 34 ARG HD3 H 1 2.998 . . 1 . 255 . . 34 ARG HD3 . 19779 1 277 . 2 1 34 34 ARG C C 13 178.292 . . 1 . 245 . . 34 ARG C . 19779 1 278 . 2 1 34 34 ARG CA C 13 57.279 . . 1 . 246 . . 34 ARG CA . 19779 1 279 . 2 1 34 34 ARG CB C 13 30.672 . . 1 . 247 . . 34 ARG CB . 19779 1 280 . 2 1 34 34 ARG CG C 13 27.054 . . 1 . 249 . . 34 ARG CG . 19779 1 281 . 2 1 34 34 ARG CD C 13 42.920 . . 1 . 248 . . 34 ARG CD . 19779 1 282 . 2 1 34 34 ARG N N 15 114.680 . . 1 . 258 . . 34 ARG N . 19779 1 283 . 2 1 35 35 HIS H H 1 8.170 . . 1 . 264 . . 35 HIS H . 19779 1 284 . 2 1 35 35 HIS HA H 1 4.910 . . 1 . 265 . . 35 HIS HA . 19779 1 285 . 2 1 35 35 HIS HB2 H 1 3.048 . . 2 . 266 . . 35 HIS HB2 . 19779 1 286 . 2 1 35 35 HIS HB3 H 1 3.342 . . 2 . 267 . . 35 HIS HB3 . 19779 1 287 . 2 1 35 35 HIS HD2 H 1 7.270 . . 1 . 268 . . 35 HIS HD2 . 19779 1 288 . 2 1 35 35 HIS HE1 H 1 8.392 . . 1 . 269 . . 35 HIS HE1 . 19779 1 289 . 2 1 35 35 HIS C C 13 176.022 . . 1 . 259 . . 35 HIS C . 19779 1 290 . 2 1 35 35 HIS CA C 13 55.773 . . 1 . 260 . . 35 HIS CA . 19779 1 291 . 2 1 35 35 HIS CB C 13 30.368 . . 1 . 261 . . 35 HIS CB . 19779 1 292 . 2 1 35 35 HIS CD2 C 13 120.759 . . 1 . 262 . . 35 HIS CD2 . 19779 1 293 . 2 1 35 35 HIS CE1 C 13 136.616 . . 1 . 263 . . 35 HIS CE1 . 19779 1 294 . 2 1 35 35 HIS N N 15 114.239 . . 1 . 270 . . 35 HIS N . 19779 1 295 . 2 1 36 36 GLY H H 1 8.004 . . 1 . 273 . . 36 GLY H . 19779 1 296 . 2 1 36 36 GLY HA2 H 1 3.817 . . 2 . 274 . . 36 GLY HA2 . 19779 1 297 . 2 1 36 36 GLY HA3 H 1 4.015 . . 2 . 275 . . 36 GLY HA3 . 19779 1 298 . 2 1 36 36 GLY C C 13 174.289 . . 1 . 271 . . 36 GLY C . 19779 1 299 . 2 1 36 36 GLY CA C 13 45.916 . . 1 . 272 . . 36 GLY CA . 19779 1 300 . 2 1 36 36 GLY N N 15 107.930 . . 1 . 276 . . 36 GLY N . 19779 1 301 . 2 1 37 37 GLY H H 1 8.462 . . 1 . 279 . . 37 GLY H . 19779 1 302 . 2 1 37 37 GLY HA2 H 1 3.757 . . 2 . 280 . . 37 GLY HA2 . 19779 1 303 . 2 1 37 37 GLY HA3 H 1 3.832 . . 2 . 281 . . 37 GLY HA3 . 19779 1 304 . 2 1 37 37 GLY C C 13 175.021 . . 1 . 277 . . 37 GLY C . 19779 1 305 . 2 1 37 37 GLY CA C 13 46.355 . . 1 . 278 . . 37 GLY CA . 19779 1 306 . 2 1 37 37 GLY N N 15 109.713 . . 1 . 282 . . 37 GLY N . 19779 1 307 . 2 1 38 38 LEU H H 1 8.098 . . 1 . 289 . . 38 LEU H . 19779 1 308 . 2 1 38 38 LEU HA H 1 4.346 . . 1 . 290 . . 38 LEU HA . 19779 1 309 . 2 1 38 38 LEU HB2 H 1 1.480 . . 2 . 291 . . 38 LEU HB2 . 19779 1 310 . 2 1 38 38 LEU HB3 H 1 1.678 . . 2 . 292 . . 38 LEU HB3 . 19779 1 311 . 2 1 38 38 LEU HG H 1 1.417 . . 1 . 295 . . 38 LEU HG . 19779 1 312 . 2 1 38 38 LEU HD11 H 1 0.663 . . 1 . 293 . . 38 LEU HD11 . 19779 1 313 . 2 1 38 38 LEU HD12 H 1 0.663 . . 1 . 293 . . 38 LEU HD12 . 19779 1 314 . 2 1 38 38 LEU HD13 H 1 0.663 . . 1 . 293 . . 38 LEU HD13 . 19779 1 315 . 2 1 38 38 LEU HD21 H 1 0.563 . . 1 . 294 . . 38 LEU HD21 . 19779 1 316 . 2 1 38 38 LEU HD22 H 1 0.563 . . 1 . 294 . . 38 LEU HD22 . 19779 1 317 . 2 1 38 38 LEU HD23 H 1 0.563 . . 1 . 294 . . 38 LEU HD23 . 19779 1 318 . 2 1 38 38 LEU C C 13 177.684 . . 1 . 283 . . 38 LEU C . 19779 1 319 . 2 1 38 38 LEU CA C 13 54.066 . . 1 . 284 . . 38 LEU CA . 19779 1 320 . 2 1 38 38 LEU CB C 13 43.024 . . 1 . 285 . . 38 LEU CB . 19779 1 321 . 2 1 38 38 LEU CG C 13 27.122 . . 1 . 288 . . 38 LEU CG . 19779 1 322 . 2 1 38 38 LEU CD1 C 13 22.736 . . 2 . 286 . . 38 LEU CD1 . 19779 1 323 . 2 1 38 38 LEU CD2 C 13 26.343 . . 2 . 287 . . 38 LEU CD2 . 19779 1 324 . 2 1 38 38 LEU N N 15 119.422 . . 1 . 296 . . 38 LEU N . 19779 1 325 . 2 1 39 39 SER H H 1 8.550 . . 1 . 300 . . 39 SER H . 19779 1 326 . 2 1 39 39 SER HA H 1 4.386 . . 1 . 301 . . 39 SER HA . 19779 1 327 . 2 1 39 39 SER HB2 H 1 4.032 . . 2 . 302 . . 39 SER HB2 . 19779 1 328 . 2 1 39 39 SER HB3 H 1 4.320 . . 2 . 303 . . 39 SER HB3 . 19779 1 329 . 2 1 39 39 SER C C 13 175.093 . . 1 . 297 . . 39 SER C . 19779 1 330 . 2 1 39 39 SER CA C 13 57.876 . . 1 . 298 . . 39 SER CA . 19779 1 331 . 2 1 39 39 SER CB C 13 64.409 . . 1 . 299 . . 39 SER CB . 19779 1 332 . 2 1 39 39 SER N N 15 117.108 . . 1 . 304 . . 39 SER N . 19779 1 333 . 2 1 40 40 SER H H 1 8.907 . . 1 . 308 . . 40 SER H . 19779 1 334 . 2 1 40 40 SER HA H 1 3.890 . . 1 . 309 . . 40 SER HA . 19779 1 335 . 2 1 40 40 SER HB2 H 1 4.050 . . 2 . 310 . . 40 SER HB2 . 19779 1 336 . 2 1 40 40 SER HB3 H 1 4.054 . . 2 . 311 . . 40 SER HB3 . 19779 1 337 . 2 1 40 40 SER C C 13 176.773 . . 1 . 305 . . 40 SER C . 19779 1 338 . 2 1 40 40 SER CA C 13 62.300 . . 1 . 306 . . 40 SER CA . 19779 1 339 . 2 1 40 40 SER CB C 13 62.356 . . 1 . 307 . . 40 SER CB . 19779 1 340 . 2 1 40 40 SER N N 15 117.332 . . 1 . 312 . . 40 SER N . 19779 1 341 . 2 1 41 41 ASP H H 1 8.333 . . 1 . 316 . . 41 ASP H . 19779 1 342 . 2 1 41 41 ASP HA H 1 4.368 . . 1 . 317 . . 41 ASP HA . 19779 1 343 . 2 1 41 41 ASP HB2 H 1 2.590 . . 2 . 318 . . 41 ASP HB2 . 19779 1 344 . 2 1 41 41 ASP HB3 H 1 2.470 . . 2 . 319 . . 41 ASP HB3 . 19779 1 345 . 2 1 41 41 ASP C C 13 178.471 . . 1 . 313 . . 41 ASP C . 19779 1 346 . 2 1 41 41 ASP CA C 13 56.978 . . 1 . 314 . . 41 ASP CA . 19779 1 347 . 2 1 41 41 ASP CB C 13 40.131 . . 1 . 315 . . 41 ASP CB . 19779 1 348 . 2 1 41 41 ASP N N 15 120.010 . . 1 . 320 . . 41 ASP N . 19779 1 349 . 2 1 42 42 ALA H H 1 7.666 . . 1 . 324 . . 42 ALA H . 19779 1 350 . 2 1 42 42 ALA HA H 1 3.842 . . 1 . 325 . . 42 ALA HA . 19779 1 351 . 2 1 42 42 ALA HB1 H 1 1.451 . . 1 . 326 . . 42 ALA HB1 . 19779 1 352 . 2 1 42 42 ALA HB2 H 1 1.451 . . 1 . 326 . . 42 ALA HB2 . 19779 1 353 . 2 1 42 42 ALA HB3 H 1 1.451 . . 1 . 326 . . 42 ALA HB3 . 19779 1 354 . 2 1 42 42 ALA C C 13 179.221 . . 1 . 321 . . 42 ALA C . 19779 1 355 . 2 1 42 42 ALA CA C 13 55.184 . . 1 . 322 . . 42 ALA CA . 19779 1 356 . 2 1 42 42 ALA CB C 13 19.221 . . 1 . 323 . . 42 ALA CB . 19779 1 357 . 2 1 42 42 ALA N N 15 124.527 . . 1 . 327 . . 42 ALA N . 19779 1 358 . 2 1 43 43 GLN H H 1 8.399 . . 1 . 332 . . 43 GLN H . 19779 1 359 . 2 1 43 43 GLN HA H 1 3.606 . . 1 . 333 . . 43 GLN HA . 19779 1 360 . 2 1 43 43 GLN HB2 H 1 2.023 . . 2 . 334 . . 43 GLN HB2 . 19779 1 361 . 2 1 43 43 GLN HB3 H 1 2.126 . . 2 . 335 . . 43 GLN HB3 . 19779 1 362 . 2 1 43 43 GLN HG2 H 1 2.407 . . 1 . 338 . . 43 GLN HG2 . 19779 1 363 . 2 1 43 43 GLN HG3 H 1 2.407 . . 1 . 339 . . 43 GLN HG3 . 19779 1 364 . 2 1 43 43 GLN HE21 H 1 7.172 . . 1 . 336 . . 43 GLN HE21 . 19779 1 365 . 2 1 43 43 GLN HE22 H 1 6.680 . . 1 . 337 . . 43 GLN HE22 . 19779 1 366 . 2 1 43 43 GLN C C 13 177.756 . . 1 . 328 . . 43 GLN C . 19779 1 367 . 2 1 43 43 GLN CA C 13 59.909 . . 1 . 329 . . 43 GLN CA . 19779 1 368 . 2 1 43 43 GLN CB C 13 28.405 . . 1 . 330 . . 43 GLN CB . 19779 1 369 . 2 1 43 43 GLN CG C 13 34.485 . . 1 . 331 . . 43 GLN CG . 19779 1 370 . 2 1 43 43 GLN N N 15 117.454 . . 1 . 340 . . 43 GLN N . 19779 1 371 . 2 1 43 43 GLN NE2 N 15 111.380 . . 1 . 341 . . 43 GLN NE2 . 19779 1 372 . 2 1 44 44 GLU H H 1 7.852 . . 1 . 346 . . 44 GLU H . 19779 1 373 . 2 1 44 44 GLU HA H 1 4.024 . . 1 . 347 . . 44 GLU HA . 19779 1 374 . 2 1 44 44 GLU HB2 H 1 2.111 . . 1 . 348 . . 44 GLU HB2 . 19779 1 375 . 2 1 44 44 GLU HB3 H 1 2.111 . . 1 . 349 . . 44 GLU HB3 . 19779 1 376 . 2 1 44 44 GLU HG2 H 1 2.424 . . 2 . 350 . . 44 GLU HG2 . 19779 1 377 . 2 1 44 44 GLU HG3 H 1 2.238 . . 2 . 351 . . 44 GLU HG3 . 19779 1 378 . 2 1 44 44 GLU C C 13 179.150 . . 1 . 342 . . 44 GLU C . 19779 1 379 . 2 1 44 44 GLU CA C 13 59.689 . . 1 . 343 . . 44 GLU CA . 19779 1 380 . 2 1 44 44 GLU CB C 13 28.680 . . 1 . 344 . . 44 GLU CB . 19779 1 381 . 2 1 44 44 GLU CG C 13 36.192 . . 1 . 345 . . 44 GLU CG . 19779 1 382 . 2 1 44 44 GLU N N 15 118.355 . . 1 . 352 . . 44 GLU N . 19779 1 383 . 2 1 45 45 SER H H 1 7.661 . . 1 . 356 . . 45 SER H . 19779 1 384 . 2 1 45 45 SER HA H 1 3.950 . . 1 . 357 . . 45 SER HA . 19779 1 385 . 2 1 45 45 SER HB2 H 1 3.950 . . 1 . 358 . . 45 SER HB2 . 19779 1 386 . 2 1 45 45 SER HB3 H 1 3.950 . . 1 . 359 . . 45 SER HB3 . 19779 1 387 . 2 1 45 45 SER C C 13 176.362 . . 1 . 353 . . 45 SER C . 19779 1 388 . 2 1 45 45 SER CA C 13 63.329 . . 1 . 354 . . 45 SER CA . 19779 1 389 . 2 1 45 45 SER CB C 13 63.232 . . 1 . 355 . . 45 SER CB . 19779 1 390 . 2 1 45 45 SER N N 15 114.328 . . 1 . 360 . . 45 SER N . 19779 1 391 . 2 1 46 46 LEU H H 1 8.155 . . 1 . 367 . . 46 LEU H . 19779 1 392 . 2 1 46 46 LEU HA H 1 3.903 . . 1 . 368 . . 46 LEU HA . 19779 1 393 . 2 1 46 46 LEU HB2 H 1 1.186 . . 2 . 369 . . 46 LEU HB2 . 19779 1 394 . 2 1 46 46 LEU HB3 H 1 1.864 . . 2 . 370 . . 46 LEU HB3 . 19779 1 395 . 2 1 46 46 LEU HG H 1 1.574 . . 1 . 373 . . 46 LEU HG . 19779 1 396 . 2 1 46 46 LEU HD11 H 1 0.560 . . 1 . 371 . . 46 LEU HD11 . 19779 1 397 . 2 1 46 46 LEU HD12 H 1 0.560 . . 1 . 371 . . 46 LEU HD12 . 19779 1 398 . 2 1 46 46 LEU HD13 H 1 0.560 . . 1 . 371 . . 46 LEU HD13 . 19779 1 399 . 2 1 46 46 LEU HD21 H 1 0.560 . . 1 . 372 . . 46 LEU HD21 . 19779 1 400 . 2 1 46 46 LEU HD22 H 1 0.560 . . 1 . 372 . . 46 LEU HD22 . 19779 1 401 . 2 1 46 46 LEU HD23 H 1 0.560 . . 1 . 372 . . 46 LEU HD23 . 19779 1 402 . 2 1 46 46 LEU C C 13 178.203 . . 1 . 361 . . 46 LEU C . 19779 1 403 . 2 1 46 46 LEU CA C 13 58.111 . . 1 . 362 . . 46 LEU CA . 19779 1 404 . 2 1 46 46 LEU CB C 13 41.616 . . 1 . 363 . . 46 LEU CB . 19779 1 405 . 2 1 46 46 LEU CG C 13 26.927 . . 1 . 366 . . 46 LEU CG . 19779 1 406 . 2 1 46 46 LEU CD1 C 13 24.700 . . 1 . 364 . . 46 LEU CD1 . 19779 1 407 . 2 1 46 46 LEU CD2 C 13 24.700 . . 1 . 365 . . 46 LEU CD2 . 19779 1 408 . 2 1 46 46 LEU N N 15 121.812 . . 1 . 374 . . 46 LEU N . 19779 1 409 . 2 1 47 47 GLU H H 1 8.115 . . 1 . 379 . . 47 GLU H . 19779 1 410 . 2 1 47 47 GLU HA H 1 3.850 . . 1 . 380 . . 47 GLU HA . 19779 1 411 . 2 1 47 47 GLU HB2 H 1 2.006 . . 2 . 381 . . 47 GLU HB2 . 19779 1 412 . 2 1 47 47 GLU HB3 H 1 2.187 . . 2 . 382 . . 47 GLU HB3 . 19779 1 413 . 2 1 47 47 GLU HG2 H 1 2.445 . . 1 . 383 . . 47 GLU HG2 . 19779 1 414 . 2 1 47 47 GLU HG3 H 1 2.445 . . 1 . 384 . . 47 GLU HG3 . 19779 1 415 . 2 1 47 47 GLU C C 13 179.918 . . 1 . 375 . . 47 GLU C . 19779 1 416 . 2 1 47 47 GLU CA C 13 60.534 . . 1 . 376 . . 47 GLU CA . 19779 1 417 . 2 1 47 47 GLU CB C 13 29.265 . . 1 . 377 . . 47 GLU CB . 19779 1 418 . 2 1 47 47 GLU CG C 13 36.794 . . 1 . 378 . . 47 GLU CG . 19779 1 419 . 2 1 47 47 GLU N N 15 119.194 . . 1 . 385 . . 47 GLU N . 19779 1 420 . 2 1 48 48 VAL H H 1 7.669 . . 1 . 391 . . 48 VAL H . 19779 1 421 . 2 1 48 48 VAL HA H 1 3.651 . . 1 . 392 . . 48 VAL HA . 19779 1 422 . 2 1 48 48 VAL HB H 1 2.302 . . 1 . 393 . . 48 VAL HB . 19779 1 423 . 2 1 48 48 VAL HG11 H 1 1.022 . . 1 . 394 . . 48 VAL HG11 . 19779 1 424 . 2 1 48 48 VAL HG12 H 1 1.022 . . 1 . 394 . . 48 VAL HG12 . 19779 1 425 . 2 1 48 48 VAL HG13 H 1 1.022 . . 1 . 394 . . 48 VAL HG13 . 19779 1 426 . 2 1 48 48 VAL HG21 H 1 0.820 . . 1 . 395 . . 48 VAL HG21 . 19779 1 427 . 2 1 48 48 VAL HG22 H 1 0.820 . . 1 . 395 . . 48 VAL HG22 . 19779 1 428 . 2 1 48 48 VAL HG23 H 1 0.820 . . 1 . 395 . . 48 VAL HG23 . 19779 1 429 . 2 1 48 48 VAL C C 13 178.560 . . 1 . 386 . . 48 VAL C . 19779 1 430 . 2 1 48 48 VAL CA C 13 66.618 . . 1 . 387 . . 48 VAL CA . 19779 1 431 . 2 1 48 48 VAL CB C 13 31.974 . . 1 . 388 . . 48 VAL CB . 19779 1 432 . 2 1 48 48 VAL CG1 C 13 22.535 . . 1 . 389 . . 48 VAL CG1 . 19779 1 433 . 2 1 48 48 VAL CG2 C 13 22.535 . . 1 . 390 . . 48 VAL CG2 . 19779 1 434 . 2 1 48 48 VAL N N 15 120.187 . . 1 . 396 . . 48 VAL N . 19779 1 435 . 2 1 49 49 ALA H H 1 8.363 . . 1 . 400 . . 49 ALA H . 19779 1 436 . 2 1 49 49 ALA HA H 1 3.772 . . 1 . 401 . . 49 ALA HA . 19779 1 437 . 2 1 49 49 ALA HB1 H 1 1.440 . . 1 . 402 . . 49 ALA HB1 . 19779 1 438 . 2 1 49 49 ALA HB2 H 1 1.440 . . 1 . 402 . . 49 ALA HB2 . 19779 1 439 . 2 1 49 49 ALA HB3 H 1 1.440 . . 1 . 402 . . 49 ALA HB3 . 19779 1 440 . 2 1 49 49 ALA C C 13 179.328 . . 1 . 397 . . 49 ALA C . 19779 1 441 . 2 1 49 49 ALA CA C 13 56.376 . . 1 . 398 . . 49 ALA CA . 19779 1 442 . 2 1 49 49 ALA CB C 13 18.217 . . 1 . 399 . . 49 ALA CB . 19779 1 443 . 2 1 49 49 ALA N N 15 122.049 . . 1 . 403 . . 49 ALA N . 19779 1 444 . 2 1 50 50 ILE H H 1 8.446 . . 1 . 410 . . 50 ILE H . 19779 1 445 . 2 1 50 50 ILE HA H 1 3.350 . . 1 . 411 . . 50 ILE HA . 19779 1 446 . 2 1 50 50 ILE HB H 1 1.833 . . 1 . 412 . . 50 ILE HB . 19779 1 447 . 2 1 50 50 ILE HG12 H 1 0.686 . . 1 . 414 . . 50 ILE HG12 . 19779 1 448 . 2 1 50 50 ILE HG13 H 1 0.686 . . 1 . 415 . . 50 ILE HG13 . 19779 1 449 . 2 1 50 50 ILE HG21 H 1 0.816 . . 1 . 416 . . 50 ILE HG21 . 19779 1 450 . 2 1 50 50 ILE HG22 H 1 0.816 . . 1 . 416 . . 50 ILE HG22 . 19779 1 451 . 2 1 50 50 ILE HG23 H 1 0.816 . . 1 . 416 . . 50 ILE HG23 . 19779 1 452 . 2 1 50 50 ILE HD11 H 1 0.458 . . 1 . 413 . . 50 ILE HD11 . 19779 1 453 . 2 1 50 50 ILE HD12 H 1 0.458 . . 1 . 413 . . 50 ILE HD12 . 19779 1 454 . 2 1 50 50 ILE HD13 H 1 0.458 . . 1 . 413 . . 50 ILE HD13 . 19779 1 455 . 2 1 50 50 ILE C C 13 177.095 . . 1 . 404 . . 50 ILE C . 19779 1 456 . 2 1 50 50 ILE CA C 13 67.257 . . 1 . 405 . . 50 ILE CA . 19779 1 457 . 2 1 50 50 ILE CB C 13 38.602 . . 1 . 406 . . 50 ILE CB . 19779 1 458 . 2 1 50 50 ILE CG1 C 13 31.874 . . 1 . 408 . . 50 ILE CG1 . 19779 1 459 . 2 1 50 50 ILE CG2 C 13 17.514 . . 1 . 409 . . 50 ILE CG2 . 19779 1 460 . 2 1 50 50 ILE CD1 C 13 13.397 . . 1 . 407 . . 50 ILE CD1 . 19779 1 461 . 2 1 50 50 ILE N N 15 116.538 . . 1 . 417 . . 50 ILE N . 19779 1 462 . 2 1 51 51 GLN H H 1 7.336 . . 1 . 422 . . 51 GLN H . 19779 1 463 . 2 1 51 51 GLN HA H 1 4.180 . . 1 . 423 . . 51 GLN HA . 19779 1 464 . 2 1 51 51 GLN HB2 H 1 2.264 . . 1 . 424 . . 51 GLN HB2 . 19779 1 465 . 2 1 51 51 GLN HB3 H 1 2.264 . . 1 . 425 . . 51 GLN HB3 . 19779 1 466 . 2 1 51 51 GLN HG2 H 1 2.532 . . 2 . 428 . . 51 GLN HG2 . 19779 1 467 . 2 1 51 51 GLN HG3 H 1 2.428 . . 2 . 429 . . 51 GLN HG3 . 19779 1 468 . 2 1 51 51 GLN HE21 H 1 7.318 . . 1 . 426 . . 51 GLN HE21 . 19779 1 469 . 2 1 51 51 GLN HE22 H 1 6.723 . . 1 . 427 . . 51 GLN HE22 . 19779 1 470 . 2 1 51 51 GLN C C 13 179.704 . . 1 . 418 . . 51 GLN C . 19779 1 471 . 2 1 51 51 GLN CA C 13 59.096 . . 1 . 419 . . 51 GLN CA . 19779 1 472 . 2 1 51 51 GLN CB C 13 28.395 . . 1 . 420 . . 51 GLN CB . 19779 1 473 . 2 1 51 51 GLN CG C 13 34.083 . . 1 . 421 . . 51 GLN CG . 19779 1 474 . 2 1 51 51 GLN N N 15 118.646 . . 1 . 430 . . 51 GLN N . 19779 1 475 . 2 1 51 51 GLN NE2 N 15 111.380 . . 1 . 431 . . 51 GLN NE2 . 19779 1 476 . 2 1 52 52 CYS H H 1 8.497 . . 1 . 435 . . 52 CYS H . 19779 1 477 . 2 1 52 52 CYS HA H 1 4.119 . . 1 . 436 . . 52 CYS HA . 19779 1 478 . 2 1 52 52 CYS HB2 H 1 2.920 . . 2 . 437 . . 52 CYS HB2 . 19779 1 479 . 2 1 52 52 CYS HB3 H 1 3.160 . . 2 . 438 . . 52 CYS HB3 . 19779 1 480 . 2 1 52 52 CYS C C 13 177.148 . . 1 . 432 . . 52 CYS C . 19779 1 481 . 2 1 52 52 CYS CA C 13 64.208 . . 1 . 433 . . 52 CYS CA . 19779 1 482 . 2 1 52 52 CYS CB C 13 28.000 . . 1 . 434 . . 52 CYS CB . 19779 1 483 . 2 1 52 52 CYS N N 15 117.700 . . 1 . 439 . . 52 CYS N . 19779 1 484 . 2 1 53 53 LEU H H 1 8.453 . . 1 . 446 . . 53 LEU H . 19779 1 485 . 2 1 53 53 LEU HA H 1 4.006 . . 1 . 447 . . 53 LEU HA . 19779 1 486 . 2 1 53 53 LEU HB2 H 1 1.298 . . 2 . 448 . . 53 LEU HB2 . 19779 1 487 . 2 1 53 53 LEU HB3 H 1 2.042 . . 2 . 449 . . 53 LEU HB3 . 19779 1 488 . 2 1 53 53 LEU HG H 1 0.780 . . 1 . 452 . . 53 LEU HG . 19779 1 489 . 2 1 53 53 LEU HD11 H 1 0.846 . . 1 . 450 . . 53 LEU HD11 . 19779 1 490 . 2 1 53 53 LEU HD12 H 1 0.846 . . 1 . 450 . . 53 LEU HD12 . 19779 1 491 . 2 1 53 53 LEU HD13 H 1 0.846 . . 1 . 450 . . 53 LEU HD13 . 19779 1 492 . 2 1 53 53 LEU HD21 H 1 0.846 . . 1 . 451 . . 53 LEU HD21 . 19779 1 493 . 2 1 53 53 LEU HD22 H 1 0.846 . . 1 . 451 . . 53 LEU HD22 . 19779 1 494 . 2 1 53 53 LEU HD23 H 1 0.846 . . 1 . 451 . . 53 LEU HD23 . 19779 1 495 . 2 1 53 53 LEU C C 13 178.917 . . 1 . 440 . . 53 LEU C . 19779 1 496 . 2 1 53 53 LEU CA C 13 58.424 . . 1 . 441 . . 53 LEU CA . 19779 1 497 . 2 1 53 53 LEU CB C 13 41.929 . . 1 . 442 . . 53 LEU CB . 19779 1 498 . 2 1 53 53 LEU CG C 13 26.830 . . 1 . 445 . . 53 LEU CG . 19779 1 499 . 2 1 53 53 LEU CD1 C 13 24.644 . . 1 . 443 . . 53 LEU CD1 . 19779 1 500 . 2 1 53 53 LEU CD2 C 13 24.644 . . 1 . 444 . . 53 LEU CD2 . 19779 1 501 . 2 1 53 53 LEU N N 15 120.202 . . 1 . 453 . . 53 LEU N . 19779 1 502 . 2 1 54 54 GLU H H 1 8.582 . . 1 . 458 . . 54 GLU H . 19779 1 503 . 2 1 54 54 GLU HA H 1 4.407 . . 1 . 459 . . 54 GLU HA . 19779 1 504 . 2 1 54 54 GLU HB2 H 1 2.037 . . 2 . 460 . . 54 GLU HB2 . 19779 1 505 . 2 1 54 54 GLU HB3 H 1 2.354 . . 2 . 461 . . 54 GLU HB3 . 19779 1 506 . 2 1 54 54 GLU HG2 H 1 2.834 . . 2 . 462 . . 54 GLU HG2 . 19779 1 507 . 2 1 54 54 GLU HG3 H 1 2.486 . . 2 . 463 . . 54 GLU HG3 . 19779 1 508 . 2 1 54 54 GLU C C 13 180.740 . . 1 . 454 . . 54 GLU C . 19779 1 509 . 2 1 54 54 GLU CA C 13 59.831 . . 1 . 455 . . 54 GLU CA . 19779 1 510 . 2 1 54 54 GLU CB C 13 29.464 . . 1 . 456 . . 54 GLU CB . 19779 1 511 . 2 1 54 54 GLU CG C 13 37.096 . . 1 . 457 . . 54 GLU CG . 19779 1 512 . 2 1 54 54 GLU N N 15 120.210 . . 1 . 464 . . 54 GLU N . 19779 1 513 . 2 1 55 55 THR H H 1 7.845 . . 1 . 469 . . 55 THR H . 19779 1 514 . 2 1 55 55 THR HA H 1 3.938 . . 1 . 470 . . 55 THR HA . 19779 1 515 . 2 1 55 55 THR HB H 1 4.233 . . 1 . 471 . . 55 THR HB . 19779 1 516 . 2 1 55 55 THR HG21 H 1 1.143 . . 1 . 472 . . 55 THR HG21 . 19779 1 517 . 2 1 55 55 THR HG22 H 1 1.143 . . 1 . 472 . . 55 THR HG22 . 19779 1 518 . 2 1 55 55 THR HG23 H 1 1.143 . . 1 . 472 . . 55 THR HG23 . 19779 1 519 . 2 1 55 55 THR C C 13 176.594 . . 1 . 465 . . 55 THR C . 19779 1 520 . 2 1 55 55 THR CA C 13 65.815 . . 1 . 466 . . 55 THR CA . 19779 1 521 . 2 1 55 55 THR CB C 13 68.827 . . 1 . 467 . . 55 THR CB . 19779 1 522 . 2 1 55 55 THR CG2 C 13 22.255 . . 1 . 468 . . 55 THR CG2 . 19779 1 523 . 2 1 55 55 THR N N 15 114.490 . . 1 . 473 . . 55 THR N . 19779 1 524 . 2 1 56 56 ALA H H 1 8.355 . . 1 . 477 . . 56 ALA H . 19779 1 525 . 2 1 56 56 ALA HA H 1 3.851 . . 1 . 478 . . 56 ALA HA . 19779 1 526 . 2 1 56 56 ALA HB1 H 1 0.979 . . 1 . 479 . . 56 ALA HB1 . 19779 1 527 . 2 1 56 56 ALA HB2 H 1 0.979 . . 1 . 479 . . 56 ALA HB2 . 19779 1 528 . 2 1 56 56 ALA HB3 H 1 0.979 . . 1 . 479 . . 56 ALA HB3 . 19779 1 529 . 2 1 56 56 ALA C C 13 178.274 . . 1 . 474 . . 56 ALA C . 19779 1 530 . 2 1 56 56 ALA CA C 13 55.218 . . 1 . 475 . . 56 ALA CA . 19779 1 531 . 2 1 56 56 ALA CB C 13 18.947 . . 1 . 476 . . 56 ALA CB . 19779 1 532 . 2 1 56 56 ALA N N 15 122.339 . . 1 . 480 . . 56 ALA N . 19779 1 533 . 2 1 57 57 PHE H H 1 8.035 . . 1 . 489 . . 57 PHE H . 19779 1 534 . 2 1 57 57 PHE HA H 1 4.723 . . 1 . 490 . . 57 PHE HA . 19779 1 535 . 2 1 57 57 PHE HB2 H 1 2.799 . . 2 . 491 . . 57 PHE HB2 . 19779 1 536 . 2 1 57 57 PHE HB3 H 1 3.155 . . 2 . 492 . . 57 PHE HB3 . 19779 1 537 . 2 1 57 57 PHE HD1 H 1 7.413 . . 1 . 493 . . 57 PHE HD1 . 19779 1 538 . 2 1 57 57 PHE HD2 H 1 7.413 . . 1 . 494 . . 57 PHE HD2 . 19779 1 539 . 2 1 57 57 PHE HE1 H 1 7.118 . . 1 . 495 . . 57 PHE HE1 . 19779 1 540 . 2 1 57 57 PHE HE2 H 1 7.118 . . 1 . 496 . . 57 PHE HE2 . 19779 1 541 . 2 1 57 57 PHE HZ H 1 6.726 . . 1 . 497 . . 57 PHE HZ . 19779 1 542 . 2 1 57 57 PHE C C 13 176.344 . . 1 . 481 . . 57 PHE C . 19779 1 543 . 2 1 57 57 PHE CA C 13 58.033 . . 1 . 482 . . 57 PHE CA . 19779 1 544 . 2 1 57 57 PHE CB C 13 40.234 . . 1 . 483 . . 57 PHE CB . 19779 1 545 . 2 1 57 57 PHE CD1 C 13 131.695 . . 1 . 484 . . 57 PHE CD1 . 19779 1 546 . 2 1 57 57 PHE CD2 C 13 131.695 . . 1 . 485 . . 57 PHE CD2 . 19779 1 547 . 2 1 57 57 PHE CE1 C 13 130.055 . . 1 . 486 . . 57 PHE CE1 . 19779 1 548 . 2 1 57 57 PHE CE2 C 13 130.055 . . 1 . 487 . . 57 PHE CE2 . 19779 1 549 . 2 1 57 57 PHE CZ C 13 128.414 . . 1 . 488 . . 57 PHE CZ . 19779 1 550 . 2 1 57 57 PHE N N 15 109.086 . . 1 . 498 . . 57 PHE N . 19779 1 551 . 2 1 58 58 GLY H H 1 7.863 . . 1 . 501 . . 58 GLY H . 19779 1 552 . 2 1 58 58 GLY HA2 H 1 3.923 . . 1 . 502 . . 58 GLY HA2 . 19779 1 553 . 2 1 58 58 GLY HA3 H 1 3.923 . . 1 . 503 . . 58 GLY HA3 . 19779 1 554 . 2 1 58 58 GLY C C 13 174.217 . . 1 . 499 . . 58 GLY C . 19779 1 555 . 2 1 58 58 GLY CA C 13 47.479 . . 1 . 500 . . 58 GLY CA . 19779 1 556 . 2 1 58 58 GLY N N 15 110.173 . . 1 . 504 . . 58 GLY N . 19779 1 557 . 2 1 59 59 VAL H H 1 7.360 . . 1 . 510 . . 59 VAL H . 19779 1 558 . 2 1 59 59 VAL HA H 1 4.720 . . 1 . 511 . . 59 VAL HA . 19779 1 559 . 2 1 59 59 VAL HB H 1 1.990 . . 1 . 512 . . 59 VAL HB . 19779 1 560 . 2 1 59 59 VAL HG11 H 1 1.015 . . 1 . 513 . . 59 VAL HG11 . 19779 1 561 . 2 1 59 59 VAL HG12 H 1 1.015 . . 1 . 513 . . 59 VAL HG12 . 19779 1 562 . 2 1 59 59 VAL HG13 H 1 1.015 . . 1 . 513 . . 59 VAL HG13 . 19779 1 563 . 2 1 59 59 VAL HG21 H 1 0.841 . . 1 . 514 . . 59 VAL HG21 . 19779 1 564 . 2 1 59 59 VAL HG22 H 1 0.841 . . 1 . 514 . . 59 VAL HG22 . 19779 1 565 . 2 1 59 59 VAL HG23 H 1 0.841 . . 1 . 514 . . 59 VAL HG23 . 19779 1 566 . 2 1 59 59 VAL C C 13 173.467 . . 1 . 505 . . 59 VAL C . 19779 1 567 . 2 1 59 59 VAL CA C 13 59.288 . . 1 . 506 . . 59 VAL CA . 19779 1 568 . 2 1 59 59 VAL CB C 13 36.020 . . 1 . 507 . . 59 VAL CB . 19779 1 569 . 2 1 59 59 VAL CG1 C 13 22.435 . . 2 . 508 . . 59 VAL CG1 . 19779 1 570 . 2 1 59 59 VAL CG2 C 13 20.226 . . 2 . 509 . . 59 VAL CG2 . 19779 1 571 . 2 1 59 59 VAL N N 15 113.562 . . 1 . 515 . . 59 VAL N . 19779 1 572 . 2 1 60 60 THR H H 1 8.724 . . 1 . 520 . . 60 THR H . 19779 1 573 . 2 1 60 60 THR HA H 1 4.998 . . 1 . 521 . . 60 THR HA . 19779 1 574 . 2 1 60 60 THR HB H 1 4.420 . . 1 . 522 . . 60 THR HB . 19779 1 575 . 2 1 60 60 THR HG21 H 1 1.068 . . 1 . 523 . . 60 THR HG21 . 19779 1 576 . 2 1 60 60 THR HG22 H 1 1.068 . . 1 . 523 . . 60 THR HG22 . 19779 1 577 . 2 1 60 60 THR HG23 H 1 1.068 . . 1 . 523 . . 60 THR HG23 . 19779 1 578 . 2 1 60 60 THR C C 13 176.022 . . 1 . 516 . . 60 THR C . 19779 1 579 . 2 1 60 60 THR CA C 13 59.589 . . 1 . 517 . . 60 THR CA . 19779 1 580 . 2 1 60 60 THR CB C 13 73.346 . . 1 . 518 . . 60 THR CB . 19779 1 581 . 2 1 60 60 THR CG2 C 13 21.330 . . 1 . 519 . . 60 THR CG2 . 19779 1 582 . 2 1 60 60 THR N N 15 110.753 . . 1 . 524 . . 60 THR N . 19779 1 583 . 2 1 61 61 VAL H H 1 8.351 . . 1 . 530 . . 61 VAL H . 19779 1 584 . 2 1 61 61 VAL HA H 1 3.782 . . 1 . 531 . . 61 VAL HA . 19779 1 585 . 2 1 61 61 VAL HB H 1 1.920 . . 1 . 532 . . 61 VAL HB . 19779 1 586 . 2 1 61 61 VAL HG11 H 1 0.707 . . 1 . 533 . . 61 VAL HG11 . 19779 1 587 . 2 1 61 61 VAL HG12 H 1 0.707 . . 1 . 533 . . 61 VAL HG12 . 19779 1 588 . 2 1 61 61 VAL HG13 H 1 0.707 . . 1 . 533 . . 61 VAL HG13 . 19779 1 589 . 2 1 61 61 VAL HG21 H 1 0.656 . . 1 . 534 . . 61 VAL HG21 . 19779 1 590 . 2 1 61 61 VAL HG22 H 1 0.656 . . 1 . 534 . . 61 VAL HG22 . 19779 1 591 . 2 1 61 61 VAL HG23 H 1 0.656 . . 1 . 534 . . 61 VAL HG23 . 19779 1 592 . 2 1 61 61 VAL C C 13 176.129 . . 1 . 525 . . 61 VAL C . 19779 1 593 . 2 1 61 61 VAL CA C 13 64.409 . . 1 . 526 . . 61 VAL CA . 19779 1 594 . 2 1 61 61 VAL CB C 13 32.276 . . 1 . 527 . . 61 VAL CB . 19779 1 595 . 2 1 61 61 VAL CG1 C 13 20.828 . . 1 . 528 . . 61 VAL CG1 . 19779 1 596 . 2 1 61 61 VAL CG2 C 13 20.828 . . 1 . 529 . . 61 VAL CG2 . 19779 1 597 . 2 1 61 61 VAL N N 15 117.190 . . 1 . 535 . . 61 VAL N . 19779 1 598 . 2 1 62 62 GLU H H 1 7.913 . . 1 . 540 . . 62 GLU H . 19779 1 599 . 2 1 62 62 GLU HA H 1 4.285 . . 1 . 541 . . 62 GLU HA . 19779 1 600 . 2 1 62 62 GLU HB2 H 1 2.147 . . 2 . 542 . . 62 GLU HB2 . 19779 1 601 . 2 1 62 62 GLU HB3 H 1 1.742 . . 2 . 543 . . 62 GLU HB3 . 19779 1 602 . 2 1 62 62 GLU HG2 H 1 2.228 . . 1 . 544 . . 62 GLU HG2 . 19779 1 603 . 2 1 62 62 GLU HG3 H 1 2.228 . . 1 . 545 . . 62 GLU HG3 . 19779 1 604 . 2 1 62 62 GLU C C 13 177.649 . . 1 . 536 . . 62 GLU C . 19779 1 605 . 2 1 62 62 GLU CA C 13 56.978 . . 1 . 537 . . 62 GLU CA . 19779 1 606 . 2 1 62 62 GLU CB C 13 29.364 . . 1 . 538 . . 62 GLU CB . 19779 1 607 . 2 1 62 62 GLU CG C 13 36.794 . . 1 . 539 . . 62 GLU CG . 19779 1 608 . 2 1 62 62 GLU N N 15 118.377 . . 1 . 546 . . 62 GLU N . 19779 1 609 . 2 1 63 63 ASP H H 1 7.779 . . 1 . 550 . . 63 ASP H . 19779 1 610 . 2 1 63 63 ASP HA H 1 4.860 . . 1 . 551 . . 63 ASP HA . 19779 1 611 . 2 1 63 63 ASP HB2 H 1 2.772 . . 2 . 552 . . 63 ASP HB2 . 19779 1 612 . 2 1 63 63 ASP HB3 H 1 2.912 . . 2 . 553 . . 63 ASP HB3 . 19779 1 613 . 2 1 63 63 ASP C C 13 175.522 . . 1 . 547 . . 63 ASP C . 19779 1 614 . 2 1 63 63 ASP CA C 13 54.828 . . 1 . 548 . . 63 ASP CA . 19779 1 615 . 2 1 63 63 ASP CB C 13 39.584 . . 1 . 549 . . 63 ASP CB . 19779 1 616 . 2 1 63 63 ASP N N 15 123.590 . . 1 . 554 . . 63 ASP N . 19779 1 617 . 2 1 64 64 SER H H 1 8.063 . . 1 . 558 . . 64 SER H . 19779 1 618 . 2 1 64 64 SER HA H 1 3.817 . . 1 . 559 . . 64 SER HA . 19779 1 619 . 2 1 64 64 SER HB2 H 1 3.955 . . 1 . 560 . . 64 SER HB2 . 19779 1 620 . 2 1 64 64 SER HB3 H 1 3.955 . . 1 . 561 . . 64 SER HB3 . 19779 1 621 . 2 1 64 64 SER C C 13 175.522 . . 1 . 555 . . 64 SER C . 19779 1 622 . 2 1 64 64 SER CA C 13 60.593 . . 1 . 556 . . 64 SER CA . 19779 1 623 . 2 1 64 64 SER CB C 13 63.270 . . 1 . 557 . . 64 SER CB . 19779 1 624 . 2 1 64 64 SER N N 15 114.600 . . 1 . 562 . . 64 SER N . 19779 1 625 . 2 1 65 65 ASP H H 1 8.747 . . 1 . 566 . . 65 ASP H . 19779 1 626 . 2 1 65 65 ASP HA H 1 4.355 . . 1 . 567 . . 65 ASP HA . 19779 1 627 . 2 1 65 65 ASP HB2 H 1 2.475 . . 2 . 568 . . 65 ASP HB2 . 19779 1 628 . 2 1 65 65 ASP HB3 H 1 2.593 . . 2 . 569 . . 65 ASP HB3 . 19779 1 629 . 2 1 65 65 ASP C C 13 176.737 . . 1 . 563 . . 65 ASP C . 19779 1 630 . 2 1 65 65 ASP CA C 13 55.844 . . 1 . 564 . . 65 ASP CA . 19779 1 631 . 2 1 65 65 ASP CB C 13 39.706 . . 1 . 565 . . 65 ASP CB . 19779 1 632 . 2 1 65 65 ASP N N 15 121.842 . . 1 . 570 . . 65 ASP N . 19779 1 633 . 2 1 66 66 LEU H H 1 7.604 . . 1 . 577 . . 66 LEU H . 19779 1 634 . 2 1 66 66 LEU HA H 1 4.042 . . 1 . 578 . . 66 LEU HA . 19779 1 635 . 2 1 66 66 LEU HB2 H 1 1.255 . . 1 . 579 . . 66 LEU HB2 . 19779 1 636 . 2 1 66 66 LEU HB3 H 1 1.255 . . 1 . 580 . . 66 LEU HB3 . 19779 1 637 . 2 1 66 66 LEU HG H 1 1.523 . . 1 . 583 . . 66 LEU HG . 19779 1 638 . 2 1 66 66 LEU HD11 H 1 0.681 . . 1 . 581 . . 66 LEU HD11 . 19779 1 639 . 2 1 66 66 LEU HD12 H 1 0.681 . . 1 . 581 . . 66 LEU HD12 . 19779 1 640 . 2 1 66 66 LEU HD13 H 1 0.681 . . 1 . 581 . . 66 LEU HD13 . 19779 1 641 . 2 1 66 66 LEU HD21 H 1 0.908 . . 1 . 582 . . 66 LEU HD21 . 19779 1 642 . 2 1 66 66 LEU HD22 H 1 0.908 . . 1 . 582 . . 66 LEU HD22 . 19779 1 643 . 2 1 66 66 LEU HD23 H 1 0.908 . . 1 . 582 . . 66 LEU HD23 . 19779 1 644 . 2 1 66 66 LEU C C 13 177.077 . . 1 . 571 . . 66 LEU C . 19779 1 645 . 2 1 66 66 LEU CA C 13 54.669 . . 1 . 572 . . 66 LEU CA . 19779 1 646 . 2 1 66 66 LEU CB C 13 41.916 . . 1 . 573 . . 66 LEU CB . 19779 1 647 . 2 1 66 66 LEU CG C 13 26.954 . . 1 . 576 . . 66 LEU CG . 19779 1 648 . 2 1 66 66 LEU CD1 C 13 22.836 . . 2 . 574 . . 66 LEU CD1 . 19779 1 649 . 2 1 66 66 LEU CD2 C 13 26.954 . . 2 . 575 . . 66 LEU CD2 . 19779 1 650 . 2 1 66 66 LEU N N 15 117.138 . . 1 . 584 . . 66 LEU N . 19779 1 651 . 2 1 67 67 ALA H H 1 7.052 . . 1 . 588 . . 67 ALA H . 19779 1 652 . 2 1 67 67 ALA HA H 1 4.178 . . 1 . 589 . . 67 ALA HA . 19779 1 653 . 2 1 67 67 ALA HB1 H 1 1.502 . . 1 . 590 . . 67 ALA HB1 . 19779 1 654 . 2 1 67 67 ALA HB2 H 1 1.502 . . 1 . 590 . . 67 ALA HB2 . 19779 1 655 . 2 1 67 67 ALA HB3 H 1 1.502 . . 1 . 590 . . 67 ALA HB3 . 19779 1 656 . 2 1 67 67 ALA C C 13 177.827 . . 1 . 585 . . 67 ALA C . 19779 1 657 . 2 1 67 67 ALA CA C 13 53.264 . . 1 . 586 . . 67 ALA CA . 19779 1 658 . 2 1 67 67 ALA CB C 13 20.041 . . 1 . 587 . . 67 ALA CB . 19779 1 659 . 2 1 67 67 ALA N N 15 121.449 . . 1 . 591 . . 67 ALA N . 19779 1 660 . 2 1 68 68 LEU H H 1 8.531 . . 1 . 598 . . 68 LEU H . 19779 1 661 . 2 1 68 68 LEU HA H 1 4.769 . . 1 . 599 . . 68 LEU HA . 19779 1 662 . 2 1 68 68 LEU HB2 H 1 1.603 . . 2 . 600 . . 68 LEU HB2 . 19779 1 663 . 2 1 68 68 LEU HB3 H 1 1.929 . . 2 . 601 . . 68 LEU HB3 . 19779 1 664 . 2 1 68 68 LEU HG H 1 1.846 . . 1 . 604 . . 68 LEU HG . 19779 1 665 . 2 1 68 68 LEU HD11 H 1 0.486 . . 1 . 602 . . 68 LEU HD11 . 19779 1 666 . 2 1 68 68 LEU HD12 H 1 0.486 . . 1 . 602 . . 68 LEU HD12 . 19779 1 667 . 2 1 68 68 LEU HD13 H 1 0.486 . . 1 . 602 . . 68 LEU HD13 . 19779 1 668 . 2 1 68 68 LEU HD21 H 1 0.768 . . 1 . 603 . . 68 LEU HD21 . 19779 1 669 . 2 1 68 68 LEU HD22 H 1 0.768 . . 1 . 603 . . 68 LEU HD22 . 19779 1 670 . 2 1 68 68 LEU HD23 H 1 0.768 . . 1 . 603 . . 68 LEU HD23 . 19779 1 671 . 2 1 68 68 LEU C C 13 176.183 . . 1 . 592 . . 68 LEU C . 19779 1 672 . 2 1 68 68 LEU CA C 13 52.639 . . 1 . 593 . . 68 LEU CA . 19779 1 673 . 2 1 68 68 LEU CB C 13 42.007 . . 1 . 594 . . 68 LEU CB . 19779 1 674 . 2 1 68 68 LEU CG C 13 27.154 . . 1 . 597 . . 68 LEU CG . 19779 1 675 . 2 1 68 68 LEU CD1 C 13 26.351 . . 2 . 595 . . 68 LEU CD1 . 19779 1 676 . 2 1 68 68 LEU CD2 C 13 22.636 . . 2 . 596 . . 68 LEU CD2 . 19779 1 677 . 2 1 68 68 LEU N N 15 122.450 . . 1 . 605 . . 68 LEU N . 19779 1 678 . 2 1 69 69 PRO HA H 1 4.320 . . 1 . 611 . . 69 PRO HA . 19779 1 679 . 2 1 69 69 PRO HB2 H 1 1.902 . . 2 . 612 . . 69 PRO HB2 . 19779 1 680 . 2 1 69 69 PRO HB3 H 1 2.320 . . 2 . 613 . . 69 PRO HB3 . 19779 1 681 . 2 1 69 69 PRO HG2 H 1 1.990 . . 2 . 616 . . 69 PRO HG2 . 19779 1 682 . 2 1 69 69 PRO HG3 H 1 1.927 . . 2 . 617 . . 69 PRO HG3 . 19779 1 683 . 2 1 69 69 PRO HD2 H 1 3.720 . . 2 . 614 . . 69 PRO HD2 . 19779 1 684 . 2 1 69 69 PRO HD3 H 1 3.650 . . 2 . 615 . . 69 PRO HD3 . 19779 1 685 . 2 1 69 69 PRO C C 13 176.594 . . 1 . 606 . . 69 PRO C . 19779 1 686 . 2 1 69 69 PRO CA C 13 64.365 . . 1 . 607 . . 69 PRO CA . 19779 1 687 . 2 1 69 69 PRO CB C 13 31.845 . . 1 . 608 . . 69 PRO CB . 19779 1 688 . 2 1 69 69 PRO CG C 13 27.656 . . 1 . 610 . . 69 PRO CG . 19779 1 689 . 2 1 69 69 PRO CD C 13 50.451 . . 1 . 609 . . 69 PRO CD . 19779 1 690 . 2 1 70 70 GLN H H 1 6.746 . . 1 . 622 . . 70 GLN H . 19779 1 691 . 2 1 70 70 GLN HA H 1 4.633 . . 1 . 623 . . 70 GLN HA . 19779 1 692 . 2 1 70 70 GLN HB2 H 1 1.752 . . 2 . 624 . . 70 GLN HB2 . 19779 1 693 . 2 1 70 70 GLN HB3 H 1 1.968 . . 2 . 625 . . 70 GLN HB3 . 19779 1 694 . 2 1 70 70 GLN HG2 H 1 2.257 . . 2 . 628 . . 70 GLN HG2 . 19779 1 695 . 2 1 70 70 GLN HG3 H 1 2.121 . . 2 . 629 . . 70 GLN HG3 . 19779 1 696 . 2 1 70 70 GLN HE21 H 1 7.341 . . 1 . 626 . . 70 GLN HE21 . 19779 1 697 . 2 1 70 70 GLN HE22 H 1 6.535 . . 1 . 627 . . 70 GLN HE22 . 19779 1 698 . 2 1 70 70 GLN C C 13 174.968 . . 1 . 618 . . 70 GLN C . 19779 1 699 . 2 1 70 70 GLN CA C 13 54.437 . . 1 . 619 . . 70 GLN CA . 19779 1 700 . 2 1 70 70 GLN CB C 13 32.577 . . 1 . 620 . . 70 GLN CB . 19779 1 701 . 2 1 70 70 GLN CG C 13 34.686 . . 1 . 621 . . 70 GLN CG . 19779 1 702 . 2 1 70 70 GLN N N 15 113.440 . . 1 . 630 . . 70 GLN N . 19779 1 703 . 2 1 70 70 GLN NE2 N 15 110.440 . . 1 . 631 . . 70 GLN NE2 . 19779 1 704 . 2 1 71 71 THR H H 1 8.428 . . 1 . 636 . . 71 THR H . 19779 1 705 . 2 1 71 71 THR HA H 1 4.386 . . 1 . 637 . . 71 THR HA . 19779 1 706 . 2 1 71 71 THR HB H 1 4.581 . . 1 . 638 . . 71 THR HB . 19779 1 707 . 2 1 71 71 THR HG21 H 1 1.350 . . 1 . 639 . . 71 THR HG21 . 19779 1 708 . 2 1 71 71 THR HG22 H 1 1.350 . . 1 . 639 . . 71 THR HG22 . 19779 1 709 . 2 1 71 71 THR HG23 H 1 1.350 . . 1 . 639 . . 71 THR HG23 . 19779 1 710 . 2 1 71 71 THR C C 13 175.450 . . 1 . 632 . . 71 THR C . 19779 1 711 . 2 1 71 71 THR CA C 13 60.894 . . 1 . 633 . . 71 THR CA . 19779 1 712 . 2 1 71 71 THR CB C 13 71.166 . . 1 . 634 . . 71 THR CB . 19779 1 713 . 2 1 71 71 THR CG2 C 13 22.133 . . 1 . 635 . . 71 THR CG2 . 19779 1 714 . 2 1 71 71 THR N N 15 110.884 . . 1 . 640 . . 71 THR N . 19779 1 715 . 2 1 72 72 LEU H H 1 9.142 . . 1 . 647 . . 72 LEU H . 19779 1 716 . 2 1 72 72 LEU HA H 1 4.317 . . 1 . 648 . . 72 LEU HA . 19779 1 717 . 2 1 72 72 LEU HB2 H 1 1.620 . . 2 . 649 . . 72 LEU HB2 . 19779 1 718 . 2 1 72 72 LEU HB3 H 1 1.451 . . 2 . 650 . . 72 LEU HB3 . 19779 1 719 . 2 1 72 72 LEU HG H 1 0.572 . . 1 . 653 . . 72 LEU HG . 19779 1 720 . 2 1 72 72 LEU HD11 H 1 0.800 . . 1 . 651 . . 72 LEU HD11 . 19779 1 721 . 2 1 72 72 LEU HD12 H 1 0.800 . . 1 . 651 . . 72 LEU HD12 . 19779 1 722 . 2 1 72 72 LEU HD13 H 1 0.800 . . 1 . 651 . . 72 LEU HD13 . 19779 1 723 . 2 1 72 72 LEU HD21 H 1 0.800 . . 1 . 652 . . 72 LEU HD21 . 19779 1 724 . 2 1 72 72 LEU HD22 H 1 0.800 . . 1 . 652 . . 72 LEU HD22 . 19779 1 725 . 2 1 72 72 LEU HD23 H 1 0.800 . . 1 . 652 . . 72 LEU HD23 . 19779 1 726 . 2 1 72 72 LEU C C 13 175.057 . . 1 . 641 . . 72 LEU C . 19779 1 727 . 2 1 72 72 LEU CA C 13 58.886 . . 1 . 642 . . 72 LEU CA . 19779 1 728 . 2 1 72 72 LEU CB C 13 39.907 . . 1 . 643 . . 72 LEU CB . 19779 1 729 . 2 1 72 72 LEU CG C 13 26.652 . . 1 . 646 . . 72 LEU CG . 19779 1 730 . 2 1 72 72 LEU CD1 C 13 22.535 . . 1 . 644 . . 72 LEU CD1 . 19779 1 731 . 2 1 72 72 LEU CD2 C 13 22.535 . . 1 . 645 . . 72 LEU CD2 . 19779 1 732 . 2 1 72 72 LEU N N 15 119.613 . . 1 . 654 . . 72 LEU N . 19779 1 733 . 2 1 73 73 PRO HA H 1 4.015 . . 1 . 660 . . 73 PRO HA . 19779 1 734 . 2 1 73 73 PRO HB2 H 1 1.799 . . 2 . 661 . . 73 PRO HB2 . 19779 1 735 . 2 1 73 73 PRO HB3 H 1 2.158 . . 2 . 662 . . 73 PRO HB3 . 19779 1 736 . 2 1 73 73 PRO HG2 H 1 2.340 . . 2 . 665 . . 73 PRO HG2 . 19779 1 737 . 2 1 73 73 PRO HG3 H 1 1.710 . . 2 . 666 . . 73 PRO HG3 . 19779 1 738 . 2 1 73 73 PRO HD2 H 1 4.040 . . 2 . 663 . . 73 PRO HD2 . 19779 1 739 . 2 1 73 73 PRO HD3 H 1 3.350 . . 2 . 664 . . 73 PRO HD3 . 19779 1 740 . 2 1 73 73 PRO C C 13 178.453 . . 1 . 655 . . 73 PRO C . 19779 1 741 . 2 1 73 73 PRO CA C 13 66.710 . . 1 . 656 . . 73 PRO CA . 19779 1 742 . 2 1 73 73 PRO CB C 13 30.751 . . 1 . 657 . . 73 PRO CB . 19779 1 743 . 2 1 73 73 PRO CG C 13 29.250 . . 1 . 659 . . 73 PRO CG . 19779 1 744 . 2 1 73 73 PRO CD C 13 49.748 . . 1 . 658 . . 73 PRO CD . 19779 1 745 . 2 1 74 74 GLU H H 1 6.973 . . 1 . 671 . . 74 GLU H . 19779 1 746 . 2 1 74 74 GLU HA H 1 3.998 . . 1 . 672 . . 74 GLU HA . 19779 1 747 . 2 1 74 74 GLU HB2 H 1 1.961 . . 2 . 673 . . 74 GLU HB2 . 19779 1 748 . 2 1 74 74 GLU HB3 H 1 2.308 . . 2 . 674 . . 74 GLU HB3 . 19779 1 749 . 2 1 74 74 GLU HG2 H 1 2.218 . . 1 . 675 . . 74 GLU HG2 . 19779 1 750 . 2 1 74 74 GLU HG3 H 1 2.218 . . 1 . 676 . . 74 GLU HG3 . 19779 1 751 . 2 1 74 74 GLU C C 13 179.722 . . 1 . 667 . . 74 GLU C . 19779 1 752 . 2 1 74 74 GLU CA C 13 59.518 . . 1 . 668 . . 74 GLU CA . 19779 1 753 . 2 1 74 74 GLU CB C 13 30.001 . . 1 . 669 . . 74 GLU CB . 19779 1 754 . 2 1 74 74 GLU CG C 13 37.296 . . 1 . 670 . . 74 GLU CG . 19779 1 755 . 2 1 74 74 GLU N N 15 117.145 . . 1 . 677 . . 74 GLU N . 19779 1 756 . 2 1 75 75 ILE H H 1 8.035 . . 1 . 684 . . 75 ILE H . 19779 1 757 . 2 1 75 75 ILE HA H 1 3.590 . . 1 . 685 . . 75 ILE HA . 19779 1 758 . 2 1 75 75 ILE HB H 1 1.826 . . 1 . 686 . . 75 ILE HB . 19779 1 759 . 2 1 75 75 ILE HG12 H 1 0.875 . . 2 . 688 . . 75 ILE HG12 . 19779 1 760 . 2 1 75 75 ILE HG13 H 1 1.580 . . 2 . 689 . . 75 ILE HG13 . 19779 1 761 . 2 1 75 75 ILE HG21 H 1 0.680 . . 1 . 690 . . 75 ILE HG21 . 19779 1 762 . 2 1 75 75 ILE HG22 H 1 0.680 . . 1 . 690 . . 75 ILE HG22 . 19779 1 763 . 2 1 75 75 ILE HG23 H 1 0.680 . . 1 . 690 . . 75 ILE HG23 . 19779 1 764 . 2 1 75 75 ILE HD11 H 1 0.596 . . 1 . 687 . . 75 ILE HD11 . 19779 1 765 . 2 1 75 75 ILE HD12 H 1 0.596 . . 1 . 687 . . 75 ILE HD12 . 19779 1 766 . 2 1 75 75 ILE HD13 H 1 0.596 . . 1 . 687 . . 75 ILE HD13 . 19779 1 767 . 2 1 75 75 ILE C C 13 178.292 . . 1 . 678 . . 75 ILE C . 19779 1 768 . 2 1 75 75 ILE CA C 13 64.710 . . 1 . 679 . . 75 ILE CA . 19779 1 769 . 2 1 75 75 ILE CB C 13 39.000 . . 1 . 680 . . 75 ILE CB . 19779 1 770 . 2 1 75 75 ILE CG1 C 13 28.874 . . 1 . 682 . . 75 ILE CG1 . 19779 1 771 . 2 1 75 75 ILE CG2 C 13 17.313 . . 1 . 683 . . 75 ILE CG2 . 19779 1 772 . 2 1 75 75 ILE CD1 C 13 14.501 . . 1 . 681 . . 75 ILE CD1 . 19779 1 773 . 2 1 75 75 ILE N N 15 120.314 . . 1 . 691 . . 75 ILE N . 19779 1 774 . 2 1 76 76 PHE H H 1 8.789 . . 1 . 699 . . 76 PHE H . 19779 1 775 . 2 1 76 76 PHE HA H 1 3.749 . . 1 . 700 . . 76 PHE HA . 19779 1 776 . 2 1 76 76 PHE HB2 H 1 2.716 . . 2 . 701 . . 76 PHE HB2 . 19779 1 777 . 2 1 76 76 PHE HB3 H 1 2.956 . . 2 . 702 . . 76 PHE HB3 . 19779 1 778 . 2 1 76 76 PHE HD1 H 1 6.857 . . 1 . 703 . . 76 PHE HD1 . 19779 1 779 . 2 1 76 76 PHE HD2 H 1 6.857 . . 1 . 704 . . 76 PHE HD2 . 19779 1 780 . 2 1 76 76 PHE HE1 H 1 7.059 . . 1 . 705 . . 76 PHE HE1 . 19779 1 781 . 2 1 76 76 PHE HE2 H 1 7.059 . . 1 . 706 . . 76 PHE HE2 . 19779 1 782 . 2 1 76 76 PHE C C 13 176.290 . . 1 . 692 . . 76 PHE C . 19779 1 783 . 2 1 76 76 PHE CA C 13 62.645 . . 1 . 693 . . 76 PHE CA . 19779 1 784 . 2 1 76 76 PHE CB C 13 40.811 . . 1 . 694 . . 76 PHE CB . 19779 1 785 . 2 1 76 76 PHE CD1 C 13 131.695 . . 1 . 695 . . 76 PHE CD1 . 19779 1 786 . 2 1 76 76 PHE CD2 C 13 131.695 . . 1 . 696 . . 76 PHE CD2 . 19779 1 787 . 2 1 76 76 PHE CE1 C 13 131.148 . . 1 . 697 . . 76 PHE CE1 . 19779 1 788 . 2 1 76 76 PHE CE2 C 13 131.148 . . 1 . 698 . . 76 PHE CE2 . 19779 1 789 . 2 1 76 76 PHE N N 15 121.192 . . 1 . 707 . . 76 PHE N . 19779 1 790 . 2 1 77 77 GLU H H 1 8.396 . . 1 . 712 . . 77 GLU H . 19779 1 791 . 2 1 77 77 GLU HA H 1 3.755 . . 1 . 713 . . 77 GLU HA . 19779 1 792 . 2 1 77 77 GLU HB2 H 1 1.990 . . 2 . 714 . . 77 GLU HB2 . 19779 1 793 . 2 1 77 77 GLU HB3 H 1 2.170 . . 2 . 715 . . 77 GLU HB3 . 19779 1 794 . 2 1 77 77 GLU HG2 H 1 2.325 . . 2 . 716 . . 77 GLU HG2 . 19779 1 795 . 2 1 77 77 GLU HG3 H 1 2.260 . . 2 . 717 . . 77 GLU HG3 . 19779 1 796 . 2 1 77 77 GLU C C 13 178.774 . . 1 . 708 . . 77 GLU C . 19779 1 797 . 2 1 77 77 GLU CA C 13 59.100 . . 1 . 709 . . 77 GLU CA . 19779 1 798 . 2 1 77 77 GLU CB C 13 29.298 . . 1 . 710 . . 77 GLU CB . 19779 1 799 . 2 1 77 77 GLU CG C 13 36.100 . . 1 . 711 . . 77 GLU CG . 19779 1 800 . 2 1 77 77 GLU N N 15 117.924 . . 1 . 718 . . 77 GLU N . 19779 1 801 . 2 1 78 78 ALA H H 1 7.238 . . 1 . 722 . . 78 ALA H . 19779 1 802 . 2 1 78 78 ALA HA H 1 4.030 . . 1 . 723 . . 78 ALA HA . 19779 1 803 . 2 1 78 78 ALA HB1 H 1 1.358 . . 1 . 724 . . 78 ALA HB1 . 19779 1 804 . 2 1 78 78 ALA HB2 H 1 1.358 . . 1 . 724 . . 78 ALA HB2 . 19779 1 805 . 2 1 78 78 ALA HB3 H 1 1.358 . . 1 . 724 . . 78 ALA HB3 . 19779 1 806 . 2 1 78 78 ALA C C 13 179.203 . . 1 . 719 . . 78 ALA C . 19779 1 807 . 2 1 78 78 ALA CA C 13 54.568 . . 1 . 720 . . 78 ALA CA . 19779 1 808 . 2 1 78 78 ALA CB C 13 18.016 . . 1 . 721 . . 78 ALA CB . 19779 1 809 . 2 1 78 78 ALA N N 15 119.676 . . 1 . 725 . . 78 ALA N . 19779 1 810 . 2 1 79 79 ALA H H 1 7.208 . . 1 . 729 . . 79 ALA H . 19779 1 811 . 2 1 79 79 ALA HA H 1 4.095 . . 1 . 730 . . 79 ALA HA . 19779 1 812 . 2 1 79 79 ALA HB1 H 1 1.177 . . 1 . 731 . . 79 ALA HB1 . 19779 1 813 . 2 1 79 79 ALA HB2 H 1 1.177 . . 1 . 731 . . 79 ALA HB2 . 19779 1 814 . 2 1 79 79 ALA HB3 H 1 1.177 . . 1 . 731 . . 79 ALA HB3 . 19779 1 815 . 2 1 79 79 ALA C C 13 178.757 . . 1 . 726 . . 79 ALA C . 19779 1 816 . 2 1 79 79 ALA CA C 13 53.464 . . 1 . 727 . . 79 ALA CA . 19779 1 817 . 2 1 79 79 ALA CB C 13 19.121 . . 1 . 728 . . 79 ALA CB . 19779 1 818 . 2 1 79 79 ALA N N 15 119.815 . . 1 . 732 . . 79 ALA N . 19779 1 819 . 2 1 80 80 ALA H H 1 7.893 . . 1 . 736 . . 80 ALA H . 19779 1 820 . 2 1 80 80 ALA HA H 1 3.963 . . 1 . 737 . . 80 ALA HA . 19779 1 821 . 2 1 80 80 ALA HB1 H 1 1.085 . . 1 . 738 . . 80 ALA HB1 . 19779 1 822 . 2 1 80 80 ALA HB2 H 1 1.085 . . 1 . 738 . . 80 ALA HB2 . 19779 1 823 . 2 1 80 80 ALA HB3 H 1 1.085 . . 1 . 738 . . 80 ALA HB3 . 19779 1 824 . 2 1 80 80 ALA C C 13 178.060 . . 1 . 733 . . 80 ALA C . 19779 1 825 . 2 1 80 80 ALA CA C 13 53.208 . . 1 . 734 . . 80 ALA CA . 19779 1 826 . 2 1 80 80 ALA CB C 13 18.849 . . 1 . 735 . . 80 ALA CB . 19779 1 827 . 2 1 80 80 ALA N N 15 119.921 . . 1 . 739 . . 80 ALA N . 19779 1 828 . 2 1 81 81 THR H H 1 7.511 . . 1 . 744 . . 81 THR H . 19779 1 829 . 2 1 81 81 THR HA H 1 4.220 . . 1 . 745 . . 81 THR HA . 19779 1 830 . 2 1 81 81 THR HB H 1 4.201 . . 1 . 746 . . 81 THR HB . 19779 1 831 . 2 1 81 81 THR HG21 H 1 1.186 . . 1 . 747 . . 81 THR HG21 . 19779 1 832 . 2 1 81 81 THR HG22 H 1 1.186 . . 1 . 747 . . 81 THR HG22 . 19779 1 833 . 2 1 81 81 THR HG23 H 1 1.186 . . 1 . 747 . . 81 THR HG23 . 19779 1 834 . 2 1 81 81 THR C C 13 175.272 . . 1 . 740 . . 81 THR C . 19779 1 835 . 2 1 81 81 THR CA C 13 62.802 . . 1 . 741 . . 81 THR CA . 19779 1 836 . 2 1 81 81 THR CB C 13 69.832 . . 1 . 742 . . 81 THR CB . 19779 1 837 . 2 1 81 81 THR CG2 C 13 21.431 . . 1 . 743 . . 81 THR CG2 . 19779 1 838 . 2 1 81 81 THR N N 15 110.532 . . 1 . 748 . . 81 THR N . 19779 1 839 . 2 1 82 82 GLY H H 1 8.068 . . 1 . 751 . . 82 GLY H . 19779 1 840 . 2 1 82 82 GLY HA2 H 1 3.871 . . 2 . 752 . . 82 GLY HA2 . 19779 1 841 . 2 1 82 82 GLY HA3 H 1 3.877 . . 2 . 753 . . 82 GLY HA3 . 19779 1 842 . 2 1 82 82 GLY C C 13 173.216 . . 1 . 749 . . 82 GLY C . 19779 1 843 . 2 1 82 82 GLY CA C 13 45.760 . . 1 . 750 . . 82 GLY CA . 19779 1 844 . 2 1 82 82 GLY N N 15 111.737 . . 1 . 754 . . 82 GLY N . 19779 1 845 . 2 1 83 83 LYS H H 1 7.721 . . 1 . 761 . . 83 LYS H . 19779 1 846 . 2 1 83 83 LYS HA H 1 4.146 . . 1 . 762 . . 83 LYS HA . 19779 1 847 . 2 1 83 83 LYS HB2 H 1 1.584 . . 2 . 763 . . 83 LYS HB2 . 19779 1 848 . 2 1 83 83 LYS HB3 H 1 1.781 . . 2 . 764 . . 83 LYS HB3 . 19779 1 849 . 2 1 83 83 LYS HG2 H 1 1.298 . . 1 . 769 . . 83 LYS HG2 . 19779 1 850 . 2 1 83 83 LYS HG3 H 1 1.298 . . 1 . 770 . . 83 LYS HG3 . 19779 1 851 . 2 1 83 83 LYS HD2 H 1 1.600 . . 1 . 765 . . 83 LYS HD2 . 19779 1 852 . 2 1 83 83 LYS HD3 H 1 1.600 . . 1 . 766 . . 83 LYS HD3 . 19779 1 853 . 2 1 83 83 LYS HE2 H 1 2.920 . . 1 . 767 . . 83 LYS HE2 . 19779 1 854 . 2 1 83 83 LYS HE3 H 1 2.920 . . 1 . 768 . . 83 LYS HE3 . 19779 1 855 . 2 1 83 83 LYS C C 13 181.223 . . 1 . 755 . . 83 LYS C . 19779 1 856 . 2 1 83 83 LYS CA C 13 57.179 . . 1 . 756 . . 83 LYS CA . 19779 1 857 . 2 1 83 83 LYS CB C 13 33.882 . . 1 . 757 . . 83 LYS CB . 19779 1 858 . 2 1 83 83 LYS CG C 13 24.845 . . 1 . 760 . . 83 LYS CG . 19779 1 859 . 2 1 83 83 LYS CD C 13 28.861 . . 1 . 758 . . 83 LYS CD . 19779 1 860 . 2 1 83 83 LYS CE C 13 42.016 . . 1 . 759 . . 83 LYS CE . 19779 1 861 . 2 1 83 83 LYS N N 15 125.680 . . 1 . 771 . . 83 LYS N . 19779 1 stop_ save_