data_16211 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16211 _Entry.Title ; Solution structure of putative prolyl isomerase PpiD from E.Coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-12 _Entry.Accession_date 2009-03-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Ulrich Weininger . . . 16211 2 Roman Jakob . P. . 16211 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 . 'not applicable' 'not applicable' . 16211 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID parvulin . 16211 'prolyl isomerase' . 16211 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16211 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 108 16211 '1H chemical shifts' 690 16211 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 3 . . 2010-05-27 2009-03-12 update BMRB 'edit entity/assembly name' 16211 2 . . 2010-01-21 2009-03-12 update BMRB 'complete entry citation' 16211 1 . . 2009-11-05 2009-03-12 original author 'original release' 16211 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KGJ 'BMRB Entry Tracking System' 16211 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16211 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19866485 _Citation.Full_citation . _Citation.Title 'The prolyl isomerase domain of PpiD from Escherichia coli shows a parvulin fold but is devoid of catalytic activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science: a publication of the Protein Society' _Citation.Journal_volume 19 _Citation.Journal_issue 1 _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 6 _Citation.Page_last 18 _Citation.Year 2010 _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 Ulrich Weininger . . . 16211 1 2 Roman Jakob . P. . 16211 1 3 Michael Kovermann . . . 16211 1 4 Jochen Balbach . . . 16211 1 5 Franz Schmid . X. . 16211 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16211 _Assembly.ID 1 _Assembly.Name PpiD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'prolyl isomerase domain' 1 $entity A . yes native no no . . . 16211 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16211 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'prolyl isomerase domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TQPQRTRYSIIQTKTEDEAK AVLDELNKGGDFAALAKEKS ADIISARNGGDMGWLEDATI PDELKNAGLKEKGQLSGVIK SSVGFLIVRLDDIQAAHHHH HH ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11173.603 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 no PDB 2KGJ . "Solution Structure Of Parvulin Domain Of Ppid From E.Coli" . . . . . 100.00 102 100.00 100.00 1.22e-66 . . . . 16211 1 2 no DBJ BAA11645 . "YbaU [Escherichia coli W3110]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 3 no DBJ BAB33918 . "putative protease maturation protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.12 623 98.96 98.96 4.07e-56 . . . . 16211 1 4 no DBJ BAE76221 . "peptidyl-prolyl cis-trans isomerase [Escherichia coli str. K12 substr. W3110]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 5 no DBJ BAG75991 . "peptidyl-prolyl cis-trans isomerase [Escherichia coli SE11]" . . . . . 94.12 623 98.96 98.96 5.37e-56 . . . . 16211 1 6 no DBJ BAI23815 . "peptidyl-prolyl cis-trans isomerase [Escherichia coli O26:H11 str. 11368]" . . . . . 94.12 623 97.92 97.92 1.87e-55 . . . . 16211 1 7 no EMBL CAP74975 . "Peptidyl-prolyl cis-trans isomerase D [Escherichia coli LF82]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 8 no EMBL CAQ30914 . "periplasmic folding helper protein [Escherichia coli BL21(DE3)]" . . . . . 94.12 623 98.96 98.96 5.48e-56 . . . . 16211 1 9 no EMBL CAQ97317 . "peptidyl-prolyl cis-trans isomerase (rotamase D) [Escherichia coli IAI1]" . . . . . 94.12 623 98.96 98.96 5.37e-56 . . . . 16211 1 10 no EMBL CAR01785 . "peptidyl-prolyl cis-trans isomerase (rotamase D) [Escherichia coli S88]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 11 no EMBL CAR06675 . "peptidyl-prolyl cis-trans isomerase (rotamase D) [Escherichia coli ED1a]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 12 no GB AAB40197 . "similar to H. influenzae HI1004 [Escherichia coli]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 13 no GB AAC73544 . "periplasmic folding chaperone, has an inactive PPIase domain [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 14 no GB AAG54791 . "putative protease maturation protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 94.12 623 98.96 98.96 4.07e-56 . . . . 16211 1 15 no GB AAN42042 . "putative protease maturation protein [Shigella flexneri 2a str. 301]" . . . . . 94.12 623 98.96 98.96 4.55e-56 . . . . 16211 1 16 no GB AAN79035 . "Peptidyl-prolyl cis-trans isomerase D [Escherichia coli CFT073]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 17 no REF NP_308522 . "peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.12 623 98.96 98.96 4.07e-56 . . . . 16211 1 18 no REF NP_414975 . "periplasmic folding chaperone, has an inactive PPIase domain [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 19 no REF NP_706335 . "periplasmic folding chaperone [Shigella flexneri 2a str. 301]" . . . . . 94.12 623 98.96 98.96 4.55e-56 . . . . 16211 1 20 no REF WP_000969091 . "folding chaperone [Shigella dysenteriae]" . . . . . 94.12 623 98.96 98.96 5.77e-56 . . . . 16211 1 21 no REF WP_000969347 . "MULTISPECIES: folding chaperone [Escherichia]" . . . . . 94.12 623 97.92 98.96 1.91e-55 . . . . 16211 1 22 no SP P0ADY1 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase D; Short=PPIase D; AltName: Full=Rotamase D" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 1 23 no SP P0ADY2 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase D; Short=PPIase D; AltName: Full=Rotamase D" . . . . . 94.12 623 98.96 98.96 5.31e-56 . . . . 16211 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 . THR . 16211 1 2 . GLN . 16211 1 3 . PRO . 16211 1 4 . GLN . 16211 1 5 . ARG . 16211 1 6 . THR . 16211 1 7 . ARG . 16211 1 8 . TYR . 16211 1 9 . SER . 16211 1 10 . ILE . 16211 1 11 . ILE . 16211 1 12 . GLN . 16211 1 13 . THR . 16211 1 14 . LYS . 16211 1 15 . THR . 16211 1 16 . GLU . 16211 1 17 . ASP . 16211 1 18 . GLU . 16211 1 19 . ALA . 16211 1 20 . LYS . 16211 1 21 . ALA . 16211 1 22 . VAL . 16211 1 23 . LEU . 16211 1 24 . ASP . 16211 1 25 . GLU . 16211 1 26 . LEU . 16211 1 27 . ASN . 16211 1 28 . LYS . 16211 1 29 . GLY . 16211 1 30 . GLY . 16211 1 31 . ASP . 16211 1 32 . PHE . 16211 1 33 . ALA . 16211 1 34 . ALA . 16211 1 35 . LEU . 16211 1 36 . ALA . 16211 1 37 . LYS . 16211 1 38 . GLU . 16211 1 39 . LYS . 16211 1 40 . SER . 16211 1 41 . ALA . 16211 1 42 . ASP . 16211 1 43 . ILE . 16211 1 44 . ILE . 16211 1 45 . SER . 16211 1 46 . ALA . 16211 1 47 . ARG . 16211 1 48 . ASN . 16211 1 49 . GLY . 16211 1 50 . GLY . 16211 1 51 . ASP . 16211 1 52 . MET . 16211 1 53 . GLY . 16211 1 54 . TRP . 16211 1 55 . LEU . 16211 1 56 . GLU . 16211 1 57 . ASP . 16211 1 58 . ALA . 16211 1 59 . THR . 16211 1 60 . ILE . 16211 1 61 . PRO . 16211 1 62 . ASP . 16211 1 63 . GLU . 16211 1 64 . LEU . 16211 1 65 . LYS . 16211 1 66 . ASN . 16211 1 67 . ALA . 16211 1 68 . GLY . 16211 1 69 . LEU . 16211 1 70 . LYS . 16211 1 71 . GLU . 16211 1 72 . LYS . 16211 1 73 . GLY . 16211 1 74 . GLN . 16211 1 75 . LEU . 16211 1 76 . SER . 16211 1 77 . GLY . 16211 1 78 . VAL . 16211 1 79 . ILE . 16211 1 80 . LYS . 16211 1 81 . SER . 16211 1 82 . SER . 16211 1 83 . VAL . 16211 1 84 . GLY . 16211 1 85 . PHE . 16211 1 86 . LEU . 16211 1 87 . ILE . 16211 1 88 . VAL . 16211 1 89 . ARG . 16211 1 90 . LEU . 16211 1 91 . ASP . 16211 1 92 . ASP . 16211 1 93 . ILE . 16211 1 94 . GLN . 16211 1 95 . ALA . 16211 1 96 . ALA . 16211 1 97 . HIS . 16211 1 98 . HIS . 16211 1 99 . HIS . 16211 1 100 . HIS . 16211 1 101 . HIS . 16211 1 102 . HIS . 16211 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 . THR 1 1 16211 1 . GLN 2 2 16211 1 . PRO 3 3 16211 1 . GLN 4 4 16211 1 . ARG 5 5 16211 1 . THR 6 6 16211 1 . ARG 7 7 16211 1 . TYR 8 8 16211 1 . SER 9 9 16211 1 . ILE 10 10 16211 1 . ILE 11 11 16211 1 . GLN 12 12 16211 1 . THR 13 13 16211 1 . LYS 14 14 16211 1 . THR 15 15 16211 1 . GLU 16 16 16211 1 . ASP 17 17 16211 1 . GLU 18 18 16211 1 . ALA 19 19 16211 1 . LYS 20 20 16211 1 . ALA 21 21 16211 1 . VAL 22 22 16211 1 . LEU 23 23 16211 1 . ASP 24 24 16211 1 . GLU 25 25 16211 1 . LEU 26 26 16211 1 . ASN 27 27 16211 1 . LYS 28 28 16211 1 . GLY 29 29 16211 1 . GLY 30 30 16211 1 . ASP 31 31 16211 1 . PHE 32 32 16211 1 . ALA 33 33 16211 1 . ALA 34 34 16211 1 . LEU 35 35 16211 1 . ALA 36 36 16211 1 . LYS 37 37 16211 1 . GLU 38 38 16211 1 . LYS 39 39 16211 1 . SER 40 40 16211 1 . ALA 41 41 16211 1 . ASP 42 42 16211 1 . ILE 43 43 16211 1 . ILE 44 44 16211 1 . SER 45 45 16211 1 . ALA 46 46 16211 1 . ARG 47 47 16211 1 . ASN 48 48 16211 1 . GLY 49 49 16211 1 . GLY 50 50 16211 1 . ASP 51 51 16211 1 . MET 52 52 16211 1 . GLY 53 53 16211 1 . TRP 54 54 16211 1 . LEU 55 55 16211 1 . GLU 56 56 16211 1 . ASP 57 57 16211 1 . ALA 58 58 16211 1 . THR 59 59 16211 1 . ILE 60 60 16211 1 . PRO 61 61 16211 1 . ASP 62 62 16211 1 . GLU 63 63 16211 1 . LEU 64 64 16211 1 . LYS 65 65 16211 1 . ASN 66 66 16211 1 . ALA 67 67 16211 1 . GLY 68 68 16211 1 . LEU 69 69 16211 1 . LYS 70 70 16211 1 . GLU 71 71 16211 1 . LYS 72 72 16211 1 . GLY 73 73 16211 1 . GLN 74 74 16211 1 . LEU 75 75 16211 1 . SER 76 76 16211 1 . GLY 77 77 16211 1 . VAL 78 78 16211 1 . ILE 79 79 16211 1 . LYS 80 80 16211 1 . SER 81 81 16211 1 . SER 82 82 16211 1 . VAL 83 83 16211 1 . GLY 84 84 16211 1 . PHE 85 85 16211 1 . LEU 86 86 16211 1 . ILE 87 87 16211 1 . VAL 88 88 16211 1 . ARG 89 89 16211 1 . LEU 90 90 16211 1 . ASP 91 91 16211 1 . ASP 92 92 16211 1 . ILE 93 93 16211 1 . GLN 94 94 16211 1 . ALA 95 95 16211 1 . ALA 96 96 16211 1 . HIS 97 97 16211 1 . HIS 98 98 16211 1 . HIS 99 99 16211 1 . HIS 100 100 16211 1 . HIS 101 101 16211 1 . HIS 102 102 16211 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 16211 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 16211 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 16211 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . 'pET 11a' . . . . . . 16211 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16211 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 16211 1 2 entity [U-15N] . . 1 $entity . . 5 . . mM . . . . 16211 1 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 16211 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16211 1 pH 7.0 . pH 16211 1 pressure 1 . atm 16211 1 temperature 298 . K 16211 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16211 _Software.ID 1 _Software.Name ARIA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16211 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16211 1 'structure solution' 16211 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16211 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16211 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16211 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 16211 _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 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16211 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16211 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16211 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16211 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 16211 _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 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 16211 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16211 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16211 _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 . _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 2 '3D 1H-15N NOESY' . . . 16211 1 3 '3D 1H-15N TOCSY' . . . 16211 1 4 '2D 1H-1H NOESY' . . . 16211 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 4.251 0.010 . 1 . . . . 1 THR HA . 16211 1 2 . 1 1 1 1 THR HB H 1 3.947 0.010 . 1 . . . . 1 THR HB . 16211 1 3 . 1 1 1 1 THR HG21 H 1 1.015 0.010 . 1 . . . . 1 THR HG2* . 16211 1 4 . 1 1 1 1 THR HG22 H 1 1.015 0.010 . 1 . . . . 1 THR HG2* . 16211 1 5 . 1 1 1 1 THR HG23 H 1 1.015 0.010 . 1 . . . . 1 THR HG2* . 16211 1 6 . 1 1 2 2 GLN H H 1 8.503 0.010 . 1 . . . . 2 GLN HN . 16211 1 7 . 1 1 2 2 GLN HA H 1 4.532 0.010 . 1 . . . . 2 GLN HA . 16211 1 8 . 1 1 2 2 GLN HB2 H 1 1.722 0.010 . 2 . . . . 2 GLN HB2 . 16211 1 9 . 1 1 2 2 GLN HB3 H 1 1.883 0.010 . 2 . . . . 2 GLN HB3 . 16211 1 10 . 1 1 2 2 GLN HE21 H 1 7.551 0.010 . 2 . . . . 2 GLN HE21 . 16211 1 11 . 1 1 2 2 GLN HE22 H 1 6.762 0.010 . 2 . . . . 2 GLN HE22 . 16211 1 12 . 1 1 2 2 GLN HG2 H 1 2.193 0.010 . 2 . . . . 2 GLN HG2 . 16211 1 13 . 1 1 2 2 GLN HG3 H 1 2.194 0.010 . 2 . . . . 2 GLN HG3 . 16211 1 14 . 1 1 2 2 GLN N N 15 125.165 0.010 . 1 . . . . 2 GLN N . 16211 1 15 . 1 1 2 2 GLN NE2 N 15 112.884 0.010 . 1 . . . . 2 GLN NE2 . 16211 1 16 . 1 1 3 3 PRO HA H 1 4.217 0.010 . 1 . . . . 3 PRO HA . 16211 1 17 . 1 1 3 3 PRO HB2 H 1 2.230 0.010 . 2 . . . . 3 PRO HB2 . 16211 1 18 . 1 1 3 3 PRO HB3 H 1 2.231 0.010 . 2 . . . . 3 PRO HB3 . 16211 1 19 . 1 1 3 3 PRO HD2 H 1 3.509 0.010 . 2 . . . . 3 PRO HD2 . 16211 1 20 . 1 1 3 3 PRO HD3 H 1 3.669 0.010 . 2 . . . . 3 PRO HD3 . 16211 1 21 . 1 1 3 3 PRO HG2 H 1 1.917 0.010 . 2 . . . . 3 PRO HG2 . 16211 1 22 . 1 1 3 3 PRO HG3 H 1 1.918 0.010 . 2 . . . . 3 PRO HG3 . 16211 1 23 . 1 1 4 4 GLN H H 1 8.492 0.010 . 1 . . . . 4 GLN HN . 16211 1 24 . 1 1 4 4 GLN HA H 1 4.382 0.010 . 1 . . . . 4 GLN HA . 16211 1 25 . 1 1 4 4 GLN HB2 H 1 1.653 0.010 . 2 . . . . 4 GLN HB2 . 16211 1 26 . 1 1 4 4 GLN HB3 H 1 1.919 0.010 . 2 . . . . 4 GLN HB3 . 16211 1 27 . 1 1 4 4 GLN HE21 H 1 7.484 0.010 . 2 . . . . 4 GLN HE21 . 16211 1 28 . 1 1 4 4 GLN HE22 H 1 6.763 0.010 . 2 . . . . 4 GLN HE22 . 16211 1 29 . 1 1 4 4 GLN HG2 H 1 2.208 0.010 . 2 . . . . 4 GLN HG2 . 16211 1 30 . 1 1 4 4 GLN HG3 H 1 2.208 0.010 . 2 . . . . 4 GLN HG3 . 16211 1 31 . 1 1 4 4 GLN N N 15 120.871 0.010 . 1 . . . . 4 GLN N . 16211 1 32 . 1 1 4 4 GLN NE2 N 15 112.609 0.010 . 1 . . . . 4 GLN NE2 . 16211 1 33 . 1 1 5 5 ARG H H 1 8.365 0.010 . 1 . . . . 5 ARG HN . 16211 1 34 . 1 1 5 5 ARG HA H 1 5.165 0.010 . 1 . . . . 5 ARG HA . 16211 1 35 . 1 1 5 5 ARG HB2 H 1 1.411 0.010 . 2 . . . . 5 ARG HB2 . 16211 1 36 . 1 1 5 5 ARG HB3 H 1 1.688 0.010 . 2 . . . . 5 ARG HB3 . 16211 1 37 . 1 1 5 5 ARG HD2 H 1 2.631 0.010 . 2 . . . . 5 ARG HD2 . 16211 1 38 . 1 1 5 5 ARG HD3 H 1 2.735 0.010 . 2 . . . . 5 ARG HD3 . 16211 1 39 . 1 1 5 5 ARG HE H 1 6.706 0.010 . 1 . . . . 5 ARG HE . 16211 1 40 . 1 1 5 5 ARG HG2 H 1 1.332 0.010 . 2 . . . . 5 ARG HG2 . 16211 1 41 . 1 1 5 5 ARG HG3 H 1 1.410 0.010 . 2 . . . . 5 ARG HG3 . 16211 1 42 . 1 1 5 5 ARG N N 15 121.503 0.010 . 1 . . . . 5 ARG N . 16211 1 43 . 1 1 5 5 ARG NE N 15 111.154 0.010 . 1 . . . . 5 ARG NE . 16211 1 44 . 1 1 6 6 THR H H 1 8.801 0.010 . 1 . . . . 6 THR HN . 16211 1 45 . 1 1 6 6 THR HA H 1 4.751 0.010 . 1 . . . . 6 THR HA . 16211 1 46 . 1 1 6 6 THR HB H 1 3.542 0.010 . 1 . . . . 6 THR HB . 16211 1 47 . 1 1 6 6 THR HG21 H 1 0.659 0.010 . 1 . . . . 6 THR HG2* . 16211 1 48 . 1 1 6 6 THR HG22 H 1 0.659 0.010 . 1 . . . . 6 THR HG2* . 16211 1 49 . 1 1 6 6 THR HG23 H 1 0.659 0.010 . 1 . . . . 6 THR HG2* . 16211 1 50 . 1 1 6 6 THR N N 15 116.539 0.010 . 1 . . . . 6 THR N . 16211 1 51 . 1 1 7 7 ARG H H 1 8.337 0.010 . 1 . . . . 7 ARG HN . 16211 1 52 . 1 1 7 7 ARG HA H 1 4.567 0.010 . 1 . . . . 7 ARG HA . 16211 1 53 . 1 1 7 7 ARG HB2 H 1 2.075 0.010 . 2 . . . . 7 ARG HB2 . 16211 1 54 . 1 1 7 7 ARG HB3 H 1 2.144 0.010 . 2 . . . . 7 ARG HB3 . 16211 1 55 . 1 1 7 7 ARG HD2 H 1 2.064 0.010 . 2 . . . . 7 ARG HD2 . 16211 1 56 . 1 1 7 7 ARG HD3 H 1 2.065 0.010 . 2 . . . . 7 ARG HD3 . 16211 1 57 . 1 1 7 7 ARG HE H 1 7.516 0.010 . 1 . . . . 7 ARG HE . 16211 1 58 . 1 1 7 7 ARG HG2 H 1 1.026 0.010 . 2 . . . . 7 ARG HG2 . 16211 1 59 . 1 1 7 7 ARG HG3 H 1 1.255 0.010 . 2 . . . . 7 ARG HG3 . 16211 1 60 . 1 1 7 7 ARG N N 15 129.822 0.010 . 1 . . . . 7 ARG N . 16211 1 61 . 1 1 7 7 ARG NE N 15 112.751 0.010 . 1 . . . . 7 ARG NE . 16211 1 62 . 1 1 8 8 TYR H H 1 7.810 0.010 . 1 . . . . 8 TYR HN . 16211 1 63 . 1 1 8 8 TYR HA H 1 5.211 0.010 . 1 . . . . 8 TYR HA . 16211 1 64 . 1 1 8 8 TYR HB2 H 1 2.447 0.010 . 2 . . . . 8 TYR HB2 . 16211 1 65 . 1 1 8 8 TYR HB3 H 1 2.784 0.010 . 2 . . . . 8 TYR HB3 . 16211 1 66 . 1 1 8 8 TYR HD1 H 1 6.782 0.010 . 3 . . . . 8 TYR HD* . 16211 1 67 . 1 1 8 8 TYR HD2 H 1 6.782 0.010 . 3 . . . . 8 TYR HD* . 16211 1 68 . 1 1 8 8 TYR HE1 H 1 6.497 0.010 . 3 . . . . 8 TYR HE* . 16211 1 69 . 1 1 8 8 TYR HE2 H 1 6.497 0.010 . 3 . . . . 8 TYR HE* . 16211 1 70 . 1 1 8 8 TYR N N 15 125.080 0.010 . 1 . . . . 8 TYR N . 16211 1 71 . 1 1 9 9 SER H H 1 8.654 0.010 . 1 . . . . 9 SER HN . 16211 1 72 . 1 1 9 9 SER HA H 1 5.361 0.010 . 1 . . . . 9 SER HA . 16211 1 73 . 1 1 9 9 SER HB2 H 1 2.790 0.010 . 2 . . . . 9 SER HB2 . 16211 1 74 . 1 1 9 9 SER HB3 H 1 3.277 0.010 . 2 . . . . 9 SER HB3 . 16211 1 75 . 1 1 9 9 SER N N 15 114.459 0.010 . 1 . . . . 9 SER N . 16211 1 76 . 1 1 10 10 ILE H H 1 9.112 0.010 . 1 . . . . 10 ILE HN . 16211 1 77 . 1 1 10 10 ILE HA H 1 5.709 0.010 . 1 . . . . 10 ILE HA . 16211 1 78 . 1 1 10 10 ILE HB H 1 1.689 0.010 . 1 . . . . 10 ILE HB . 16211 1 79 . 1 1 10 10 ILE HD11 H 1 0.706 0.010 . 1 . . . . 10 ILE HD1* . 16211 1 80 . 1 1 10 10 ILE HD12 H 1 0.706 0.010 . 1 . . . . 10 ILE HD1* . 16211 1 81 . 1 1 10 10 ILE HD13 H 1 0.706 0.010 . 1 . . . . 10 ILE HD1* . 16211 1 82 . 1 1 10 10 ILE HG12 H 1 1.180 0.010 . 2 . . . . 10 ILE HG12 . 16211 1 83 . 1 1 10 10 ILE HG13 H 1 1.374 0.010 . 2 . . . . 10 ILE HG13 . 16211 1 84 . 1 1 10 10 ILE HG21 H 1 0.832 0.010 . 1 . . . . 10 ILE HG2* . 16211 1 85 . 1 1 10 10 ILE HG22 H 1 0.832 0.010 . 1 . . . . 10 ILE HG2* . 16211 1 86 . 1 1 10 10 ILE HG23 H 1 0.832 0.010 . 1 . . . . 10 ILE HG2* . 16211 1 87 . 1 1 10 10 ILE N N 15 116.723 0.010 . 1 . . . . 10 ILE N . 16211 1 88 . 1 1 11 11 ILE H H 1 8.827 0.010 . 1 . . . . 11 ILE HN . 16211 1 89 . 1 1 11 11 ILE HA H 1 3.630 0.010 . 1 . . . . 11 ILE HA . 16211 1 90 . 1 1 11 11 ILE HB H 1 1.178 0.010 . 1 . . . . 11 ILE HB . 16211 1 91 . 1 1 11 11 ILE HD11 H 1 -0.275 0.010 . 1 . . . . 11 ILE HD1* . 16211 1 92 . 1 1 11 11 ILE HD12 H 1 -0.275 0.010 . 1 . . . . 11 ILE HD1* . 16211 1 93 . 1 1 11 11 ILE HD13 H 1 -0.275 0.010 . 1 . . . . 11 ILE HD1* . 16211 1 94 . 1 1 11 11 ILE HG12 H 1 1.349 0.010 . 2 . . . . 11 ILE HG12 . 16211 1 95 . 1 1 11 11 ILE HG13 H 1 0.456 0.010 . 2 . . . . 11 ILE HG13 . 16211 1 96 . 1 1 11 11 ILE HG21 H 1 0.193 0.010 . 1 . . . . 11 ILE HG2* . 16211 1 97 . 1 1 11 11 ILE HG22 H 1 0.193 0.010 . 1 . . . . 11 ILE HG2* . 16211 1 98 . 1 1 11 11 ILE HG23 H 1 0.193 0.010 . 1 . . . . 11 ILE HG2* . 16211 1 99 . 1 1 11 11 ILE N N 15 122.843 0.010 . 1 . . . . 11 ILE N . 16211 1 100 . 1 1 12 12 GLN H H 1 8.047 0.010 . 1 . . . . 12 GLN HN . 16211 1 101 . 1 1 12 12 GLN HA H 1 5.529 0.010 . 1 . . . . 12 GLN HA . 16211 1 102 . 1 1 12 12 GLN HB2 H 1 1.676 0.010 . 2 . . . . 12 GLN HB2 . 16211 1 103 . 1 1 12 12 GLN HB3 H 1 1.923 0.010 . 2 . . . . 12 GLN HB3 . 16211 1 104 . 1 1 12 12 GLN HE21 H 1 7.041 0.010 . 2 . . . . 12 GLN HE21 . 16211 1 105 . 1 1 12 12 GLN HE22 H 1 6.529 0.010 . 2 . . . . 12 GLN HE22 . 16211 1 106 . 1 1 12 12 GLN HG2 H 1 1.922 0.010 . 2 . . . . 12 GLN HG2 . 16211 1 107 . 1 1 12 12 GLN HG3 H 1 2.034 0.010 . 2 . . . . 12 GLN HG3 . 16211 1 108 . 1 1 12 12 GLN N N 15 127.853 0.010 . 1 . . . . 12 GLN N . 16211 1 109 . 1 1 12 12 GLN NE2 N 15 110.359 0.010 . 1 . . . . 12 GLN NE2 . 16211 1 110 . 1 1 13 13 THR H H 1 9.657 0.010 . 1 . . . . 13 THR HN . 16211 1 111 . 1 1 13 13 THR HA H 1 5.050 0.010 . 1 . . . . 13 THR HA . 16211 1 112 . 1 1 13 13 THR HB H 1 4.474 0.010 . 1 . . . . 13 THR HB . 16211 1 113 . 1 1 13 13 THR HG21 H 1 0.732 0.010 . 1 . . . . 13 THR HG2* . 16211 1 114 . 1 1 13 13 THR HG22 H 1 0.732 0.010 . 1 . . . . 13 THR HG2* . 16211 1 115 . 1 1 13 13 THR HG23 H 1 0.732 0.010 . 1 . . . . 13 THR HG2* . 16211 1 116 . 1 1 13 13 THR N N 15 117.094 0.010 . 1 . . . . 13 THR N . 16211 1 117 . 1 1 14 14 LYS H H 1 9.035 0.010 . 1 . . . . 14 LYS HN . 16211 1 118 . 1 1 14 14 LYS HA H 1 4.463 0.010 . 1 . . . . 14 LYS HA . 16211 1 119 . 1 1 14 14 LYS HB2 H 1 1.998 0.010 . 2 . . . . 14 LYS HB2 . 16211 1 120 . 1 1 14 14 LYS HB3 H 1 1.999 0.010 . 2 . . . . 14 LYS HB3 . 16211 1 121 . 1 1 14 14 LYS HD2 H 1 1.687 0.010 . 2 . . . . 14 LYS HD2 . 16211 1 122 . 1 1 14 14 LYS HD3 H 1 1.688 0.010 . 2 . . . . 14 LYS HD3 . 16211 1 123 . 1 1 14 14 LYS HE2 H 1 2.943 0.010 . 2 . . . . 14 LYS HE* . 16211 1 124 . 1 1 14 14 LYS HE3 H 1 2.943 0.010 . 2 . . . . 14 LYS HE* . 16211 1 125 . 1 1 14 14 LYS HG2 H 1 1.423 0.010 . 2 . . . . 14 LYS HG2 . 16211 1 126 . 1 1 14 14 LYS HG3 H 1 1.515 0.010 . 2 . . . . 14 LYS HG3 . 16211 1 127 . 1 1 14 14 LYS HZ1 H 1 7.167 0.010 . 1 . . . . 14 LYS HZ* . 16211 1 128 . 1 1 14 14 LYS HZ2 H 1 7.167 0.010 . 1 . . . . 14 LYS HZ* . 16211 1 129 . 1 1 14 14 LYS HZ3 H 1 7.167 0.010 . 1 . . . . 14 LYS HZ* . 16211 1 130 . 1 1 14 14 LYS N N 15 119.457 0.010 . 1 . . . . 14 LYS N . 16211 1 131 . 1 1 15 15 THR H H 1 7.527 0.010 . 1 . . . . 15 THR HN . 16211 1 132 . 1 1 15 15 THR HA H 1 4.785 0.010 . 1 . . . . 15 THR HA . 16211 1 133 . 1 1 15 15 THR HB H 1 4.371 0.010 . 1 . . . . 15 THR HB . 16211 1 134 . 1 1 15 15 THR HG21 H 1 1.100 0.010 . 1 . . . . 15 THR HG2* . 16211 1 135 . 1 1 15 15 THR HG22 H 1 1.100 0.010 . 1 . . . . 15 THR HG2* . 16211 1 136 . 1 1 15 15 THR HG23 H 1 1.100 0.010 . 1 . . . . 15 THR HG2* . 16211 1 137 . 1 1 15 15 THR N N 15 104.566 0.010 . 1 . . . . 15 THR N . 16211 1 138 . 1 1 16 16 GLU H H 1 8.454 0.010 . 1 . . . . 16 GLU HN . 16211 1 139 . 1 1 16 16 GLU HA H 1 4.101 0.010 . 1 . . . . 16 GLU HA . 16211 1 140 . 1 1 16 16 GLU HB2 H 1 1.435 0.010 . 2 . . . . 16 GLU HB2 . 16211 1 141 . 1 1 16 16 GLU HB3 H 1 1.769 0.010 . 2 . . . . 16 GLU HB3 . 16211 1 142 . 1 1 16 16 GLU HG2 H 1 2.482 0.010 . 2 . . . . 16 GLU HG2 . 16211 1 143 . 1 1 16 16 GLU HG3 H 1 2.483 0.010 . 2 . . . . 16 GLU HG3 . 16211 1 144 . 1 1 16 16 GLU N N 15 127.134 0.010 . 1 . . . . 16 GLU N . 16211 1 145 . 1 1 17 17 ASP H H 1 8.335 0.010 . 1 . . . . 17 ASP HN . 16211 1 146 . 1 1 17 17 ASP HA H 1 4.095 0.010 . 1 . . . . 17 ASP HA . 16211 1 147 . 1 1 17 17 ASP HB2 H 1 2.368 0.010 . 2 . . . . 17 ASP HB2 . 16211 1 148 . 1 1 17 17 ASP HB3 H 1 2.437 0.010 . 2 . . . . 17 ASP HB3 . 16211 1 149 . 1 1 17 17 ASP N N 15 117.583 0.010 . 1 . . . . 17 ASP N . 16211 1 150 . 1 1 18 18 GLU H H 1 7.362 0.010 . 1 . . . . 18 GLU HN . 16211 1 151 . 1 1 18 18 GLU HA H 1 4.106 0.010 . 1 . . . . 18 GLU HA . 16211 1 152 . 1 1 18 18 GLU HB2 H 1 1.884 0.010 . 2 . . . . 18 GLU HB2 . 16211 1 153 . 1 1 18 18 GLU HB3 H 1 2.011 0.010 . 2 . . . . 18 GLU HB3 . 16211 1 154 . 1 1 18 18 GLU HG2 H 1 2.125 0.010 . 2 . . . . 18 GLU HG2 . 16211 1 155 . 1 1 18 18 GLU HG3 H 1 2.126 0.010 . 2 . . . . 18 GLU HG3 . 16211 1 156 . 1 1 18 18 GLU N N 15 118.999 0.010 . 1 . . . . 18 GLU N . 16211 1 157 . 1 1 19 19 ALA H H 1 7.050 0.010 . 1 . . . . 19 ALA HN . 16211 1 158 . 1 1 19 19 ALA HA H 1 3.692 0.010 . 1 . . . . 19 ALA HA . 16211 1 159 . 1 1 19 19 ALA HB1 H 1 1.332 0.010 . 1 . . . . 19 ALA HB* . 16211 1 160 . 1 1 19 19 ALA HB2 H 1 1.332 0.010 . 1 . . . . 19 ALA HB* . 16211 1 161 . 1 1 19 19 ALA HB3 H 1 1.332 0.010 . 1 . . . . 19 ALA HB* . 16211 1 162 . 1 1 19 19 ALA N N 15 123.146 0.010 . 1 . . . . 19 ALA N . 16211 1 163 . 1 1 20 20 LYS H H 1 8.335 0.010 . 1 . . . . 20 LYS HN . 16211 1 164 . 1 1 20 20 LYS HA H 1 3.600 0.010 . 1 . . . . 20 LYS HA . 16211 1 165 . 1 1 20 20 LYS HB2 H 1 1.701 0.010 . 2 . . . . 20 LYS HB2 . 16211 1 166 . 1 1 20 20 LYS HB3 H 1 1.758 0.010 . 2 . . . . 20 LYS HB3 . 16211 1 167 . 1 1 20 20 LYS HD2 H 1 1.435 0.010 . 2 . . . . 20 LYS HD2 . 16211 1 168 . 1 1 20 20 LYS HD3 H 1 1.492 0.010 . 2 . . . . 20 LYS HD3 . 16211 1 169 . 1 1 20 20 LYS HE2 H 1 2.770 0.010 . 2 . . . . 20 LYS HE* . 16211 1 170 . 1 1 20 20 LYS HE3 H 1 2.770 0.010 . 2 . . . . 20 LYS HE* . 16211 1 171 . 1 1 20 20 LYS HG2 H 1 1.263 0.010 . 2 . . . . 20 LYS HG2 . 16211 1 172 . 1 1 20 20 LYS HG3 H 1 1.429 0.010 . 2 . . . . 20 LYS HG3 . 16211 1 173 . 1 1 20 20 LYS N N 15 117.583 0.010 . 1 . . . . 20 LYS N . 16211 1 174 . 1 1 21 21 ALA H H 1 7.522 0.010 . 1 . . . . 21 ALA HN . 16211 1 175 . 1 1 21 21 ALA HA H 1 4.091 0.010 . 1 . . . . 21 ALA HA . 16211 1 176 . 1 1 21 21 ALA HB1 H 1 1.375 0.010 . 1 . . . . 21 ALA HB* . 16211 1 177 . 1 1 21 21 ALA HB2 H 1 1.375 0.010 . 1 . . . . 21 ALA HB* . 16211 1 178 . 1 1 21 21 ALA HB3 H 1 1.375 0.010 . 1 . . . . 21 ALA HB* . 16211 1 179 . 1 1 21 21 ALA N N 15 121.260 0.010 . 1 . . . . 21 ALA N . 16211 1 180 . 1 1 22 22 VAL H H 1 7.670 0.010 . 1 . . . . 22 VAL HN . 16211 1 181 . 1 1 22 22 VAL HA H 1 3.484 0.010 . 1 . . . . 22 VAL HA . 16211 1 182 . 1 1 22 22 VAL HB H 1 1.999 0.010 . 1 . . . . 22 VAL HB . 16211 1 183 . 1 1 22 22 VAL HG11 H 1 0.744 0.010 . 1 . . . . 22 VAL HG1* . 16211 1 184 . 1 1 22 22 VAL HG12 H 1 0.744 0.010 . 1 . . . . 22 VAL HG1* . 16211 1 185 . 1 1 22 22 VAL HG13 H 1 0.744 0.010 . 1 . . . . 22 VAL HG1* . 16211 1 186 . 1 1 22 22 VAL HG21 H 1 0.572 0.010 . 1 . . . . 22 VAL HG2* . 16211 1 187 . 1 1 22 22 VAL HG22 H 1 0.572 0.010 . 1 . . . . 22 VAL HG2* . 16211 1 188 . 1 1 22 22 VAL HG23 H 1 0.572 0.010 . 1 . . . . 22 VAL HG2* . 16211 1 189 . 1 1 22 22 VAL N N 15 120.352 0.010 . 1 . . . . 22 VAL N . 16211 1 190 . 1 1 23 23 LEU H H 1 8.175 0.010 . 1 . . . . 23 LEU HN . 16211 1 191 . 1 1 23 23 LEU HA H 1 3.874 0.010 . 1 . . . . 23 LEU HA . 16211 1 192 . 1 1 23 23 LEU HB2 H 1 1.562 0.010 . 2 . . . . 23 LEU HB2 . 16211 1 193 . 1 1 23 23 LEU HB3 H 1 1.746 0.010 . 2 . . . . 23 LEU HB3 . 16211 1 194 . 1 1 23 23 LEU HD11 H 1 0.921 0.010 . 1 . . . . 23 LEU HD1* . 16211 1 195 . 1 1 23 23 LEU HD12 H 1 0.921 0.010 . 1 . . . . 23 LEU HD1* . 16211 1 196 . 1 1 23 23 LEU HD13 H 1 0.921 0.010 . 1 . . . . 23 LEU HD1* . 16211 1 197 . 1 1 23 23 LEU HD21 H 1 0.738 0.010 . 1 . . . . 23 LEU HD2* . 16211 1 198 . 1 1 23 23 LEU HD22 H 1 0.738 0.010 . 1 . . . . 23 LEU HD2* . 16211 1 199 . 1 1 23 23 LEU HD23 H 1 0.738 0.010 . 1 . . . . 23 LEU HD2* . 16211 1 200 . 1 1 23 23 LEU HG H 1 1.435 0.010 . 1 . . . . 23 LEU HG . 16211 1 201 . 1 1 23 23 LEU N N 15 121.296 0.010 . 1 . . . . 23 LEU N . 16211 1 202 . 1 1 24 24 ASP H H 1 7.997 0.010 . 1 . . . . 24 ASP HN . 16211 1 203 . 1 1 24 24 ASP HA H 1 4.290 0.010 . 1 . . . . 24 ASP HA . 16211 1 204 . 1 1 24 24 ASP HB2 H 1 2.564 0.010 . 2 . . . . 24 ASP HB2 . 16211 1 205 . 1 1 24 24 ASP HB3 H 1 2.667 0.010 . 2 . . . . 24 ASP HB3 . 16211 1 206 . 1 1 24 24 ASP N N 15 118.344 0.010 . 1 . . . . 24 ASP N . 16211 1 207 . 1 1 25 25 GLU H H 1 7.488 0.010 . 1 . . . . 25 GLU HN . 16211 1 208 . 1 1 25 25 GLU HA H 1 3.874 0.010 . 1 . . . . 25 GLU HA . 16211 1 209 . 1 1 25 25 GLU HB2 H 1 1.896 0.010 . 2 . . . . 25 GLU HB2 . 16211 1 210 . 1 1 25 25 GLU HB3 H 1 2.057 0.010 . 2 . . . . 25 GLU HB3 . 16211 1 211 . 1 1 25 25 GLU HG2 H 1 2.115 0.010 . 2 . . . . 25 GLU HG2 . 16211 1 212 . 1 1 25 25 GLU HG3 H 1 2.218 0.010 . 2 . . . . 25 GLU HG3 . 16211 1 213 . 1 1 25 25 GLU N N 15 118.292 0.010 . 1 . . . . 25 GLU N . 16211 1 214 . 1 1 26 26 LEU H H 1 8.574 0.010 . 1 . . . . 26 LEU HN . 16211 1 215 . 1 1 26 26 LEU HA H 1 3.784 0.010 . 1 . . . . 26 LEU HA . 16211 1 216 . 1 1 26 26 LEU HB2 H 1 1.560 0.010 . 2 . . . . 26 LEU HB2 . 16211 1 217 . 1 1 26 26 LEU HB3 H 1 2.028 0.010 . 2 . . . . 26 LEU HB3 . 16211 1 218 . 1 1 26 26 LEU HD11 H 1 0.709 0.010 . 1 . . . . 26 LEU HD1* . 16211 1 219 . 1 1 26 26 LEU HD12 H 1 0.709 0.010 . 1 . . . . 26 LEU HD1* . 16211 1 220 . 1 1 26 26 LEU HD13 H 1 0.709 0.010 . 1 . . . . 26 LEU HD1* . 16211 1 221 . 1 1 26 26 LEU HD21 H 1 0.907 0.010 . 1 . . . . 26 LEU HD2* . 16211 1 222 . 1 1 26 26 LEU HD22 H 1 0.907 0.010 . 1 . . . . 26 LEU HD2* . 16211 1 223 . 1 1 26 26 LEU HD23 H 1 0.907 0.010 . 1 . . . . 26 LEU HD2* . 16211 1 224 . 1 1 26 26 LEU HG H 1 1.389 0.010 . 1 . . . . 26 LEU HG . 16211 1 225 . 1 1 26 26 LEU N N 15 122.270 0.010 . 1 . . . . 26 LEU N . 16211 1 226 . 1 1 27 27 ASN H H 1 8.663 0.010 . 1 . . . . 27 ASN HN . 16211 1 227 . 1 1 27 27 ASN HA H 1 4.520 0.010 . 1 . . . . 27 ASN HA . 16211 1 228 . 1 1 27 27 ASN HB2 H 1 2.790 0.010 . 2 . . . . 27 ASN HB2 . 16211 1 229 . 1 1 27 27 ASN HB3 H 1 2.886 0.010 . 2 . . . . 27 ASN HB3 . 16211 1 230 . 1 1 27 27 ASN HD21 H 1 7.547 0.010 . 2 . . . . 27 ASN HD21 . 16211 1 231 . 1 1 27 27 ASN HD22 H 1 6.685 0.010 . 2 . . . . 27 ASN HD22 . 16211 1 232 . 1 1 27 27 ASN N N 15 120.178 0.010 . 1 . . . . 27 ASN N . 16211 1 233 . 1 1 27 27 ASN ND2 N 15 110.926 0.010 . 1 . . . . 27 ASN ND2 . 16211 1 234 . 1 1 28 28 LYS H H 1 7.339 0.010 . 1 . . . . 28 LYS HN . 16211 1 235 . 1 1 28 28 LYS HA H 1 4.331 0.010 . 1 . . . . 28 LYS HA . 16211 1 236 . 1 1 28 28 LYS HB2 H 1 1.642 0.010 . 2 . . . . 28 LYS HB2 . 16211 1 237 . 1 1 28 28 LYS HB3 H 1 2.010 0.010 . 2 . . . . 28 LYS HB3 . 16211 1 238 . 1 1 28 28 LYS HD2 H 1 1.468 0.010 . 2 . . . . 28 LYS HD2 . 16211 1 239 . 1 1 28 28 LYS HD3 H 1 1.469 0.010 . 2 . . . . 28 LYS HD3 . 16211 1 240 . 1 1 28 28 LYS HE2 H 1 2.793 0.010 . 2 . . . . 28 LYS HE* . 16211 1 241 . 1 1 28 28 LYS HE3 H 1 2.793 0.010 . 2 . . . . 28 LYS HE* . 16211 1 242 . 1 1 28 28 LYS HG2 H 1 1.353 0.010 . 2 . . . . 28 LYS HG2 . 16211 1 243 . 1 1 28 28 LYS HG3 H 1 1.354 0.010 . 2 . . . . 28 LYS HG3 . 16211 1 244 . 1 1 28 28 LYS HZ1 H 1 7.138 0.010 . 1 . . . . 28 LYS HZ* . 16211 1 245 . 1 1 28 28 LYS HZ2 H 1 7.138 0.010 . 1 . . . . 28 LYS HZ* . 16211 1 246 . 1 1 28 28 LYS HZ3 H 1 7.138 0.010 . 1 . . . . 28 LYS HZ* . 16211 1 247 . 1 1 28 28 LYS N N 15 118.773 0.010 . 1 . . . . 28 LYS N . 16211 1 248 . 1 1 29 29 GLY H H 1 7.680 0.010 . 1 . . . . 29 GLY HN . 16211 1 249 . 1 1 29 29 GLY HA2 H 1 4.290 0.010 . 2 . . . . 29 GLY HA1 . 16211 1 250 . 1 1 29 29 GLY HA3 H 1 3.703 0.010 . 2 . . . . 29 GLY HA2 . 16211 1 251 . 1 1 29 29 GLY N N 15 106.818 0.010 . 1 . . . . 29 GLY N . 16211 1 252 . 1 1 30 30 GLY H H 1 8.241 0.010 . 1 . . . . 30 GLY HN . 16211 1 253 . 1 1 30 30 GLY HA2 H 1 3.887 0.010 . 2 . . . . 30 GLY HA1 . 16211 1 254 . 1 1 30 30 GLY HA3 H 1 3.128 0.010 . 2 . . . . 30 GLY HA2 . 16211 1 255 . 1 1 30 30 GLY N N 15 108.169 0.010 . 1 . . . . 30 GLY N . 16211 1 256 . 1 1 31 31 ASP H H 1 8.471 0.010 . 1 . . . . 31 ASP HN . 16211 1 257 . 1 1 31 31 ASP HA H 1 4.555 0.010 . 1 . . . . 31 ASP HA . 16211 1 258 . 1 1 31 31 ASP HB2 H 1 2.529 0.010 . 2 . . . . 31 ASP HB2 . 16211 1 259 . 1 1 31 31 ASP HB3 H 1 2.713 0.010 . 2 . . . . 31 ASP HB3 . 16211 1 260 . 1 1 31 31 ASP N N 15 122.396 0.010 . 1 . . . . 31 ASP N . 16211 1 261 . 1 1 32 32 PHE H H 1 8.754 0.010 . 1 . . . . 32 PHE HN . 16211 1 262 . 1 1 32 32 PHE HA H 1 3.484 0.010 . 1 . . . . 32 PHE HA . 16211 1 263 . 1 1 32 32 PHE HB2 H 1 2.833 0.010 . 2 . . . . 32 PHE HB2 . 16211 1 264 . 1 1 32 32 PHE HB3 H 1 3.139 0.010 . 2 . . . . 32 PHE HB3 . 16211 1 265 . 1 1 32 32 PHE HD1 H 1 6.912 0.010 . 3 . . . . 32 PHE HD* . 16211 1 266 . 1 1 32 32 PHE HD2 H 1 6.912 0.010 . 3 . . . . 32 PHE HD* . 16211 1 267 . 1 1 32 32 PHE HE1 H 1 6.783 0.010 . 3 . . . . 32 PHE HE* . 16211 1 268 . 1 1 32 32 PHE HE2 H 1 6.783 0.010 . 3 . . . . 32 PHE HE* . 16211 1 269 . 1 1 32 32 PHE HZ H 1 6.782 0.010 . 1 . . . . 32 PHE HZ . 16211 1 270 . 1 1 32 32 PHE N N 15 129.042 0.010 . 1 . . . . 32 PHE N . 16211 1 271 . 1 1 33 33 ALA H H 1 8.099 0.010 . 1 . . . . 33 ALA HN . 16211 1 272 . 1 1 33 33 ALA HA H 1 4.451 0.010 . 1 . . . . 33 ALA HA . 16211 1 273 . 1 1 33 33 ALA HB1 H 1 1.493 0.010 . 1 . . . . 33 ALA HB* . 16211 1 274 . 1 1 33 33 ALA HB2 H 1 1.493 0.010 . 1 . . . . 33 ALA HB* . 16211 1 275 . 1 1 33 33 ALA HB3 H 1 1.493 0.010 . 1 . . . . 33 ALA HB* . 16211 1 276 . 1 1 33 33 ALA N N 15 118.535 0.010 . 1 . . . . 33 ALA N . 16211 1 277 . 1 1 34 34 ALA H H 1 7.888 0.010 . 1 . . . . 34 ALA HN . 16211 1 278 . 1 1 34 34 ALA HA H 1 3.945 0.010 . 1 . . . . 34 ALA HA . 16211 1 279 . 1 1 34 34 ALA HB1 H 1 1.378 0.010 . 1 . . . . 34 ALA HB* . 16211 1 280 . 1 1 34 34 ALA HB2 H 1 1.378 0.010 . 1 . . . . 34 ALA HB* . 16211 1 281 . 1 1 34 34 ALA HB3 H 1 1.378 0.010 . 1 . . . . 34 ALA HB* . 16211 1 282 . 1 1 34 34 ALA N N 15 120.695 0.010 . 1 . . . . 34 ALA N . 16211 1 283 . 1 1 35 35 LEU H H 1 8.135 0.010 . 1 . . . . 35 LEU HN . 16211 1 284 . 1 1 35 35 LEU HA H 1 3.874 0.010 . 1 . . . . 35 LEU HA . 16211 1 285 . 1 1 35 35 LEU HB2 H 1 1.514 0.010 . 2 . . . . 35 LEU HB2 . 16211 1 286 . 1 1 35 35 LEU HB3 H 1 1.515 0.010 . 2 . . . . 35 LEU HB3 . 16211 1 287 . 1 1 35 35 LEU HD11 H 1 0.640 0.010 . 1 . . . . 35 LEU HD1* . 16211 1 288 . 1 1 35 35 LEU HD12 H 1 0.640 0.010 . 1 . . . . 35 LEU HD1* . 16211 1 289 . 1 1 35 35 LEU HD13 H 1 0.640 0.010 . 1 . . . . 35 LEU HD1* . 16211 1 290 . 1 1 35 35 LEU HD21 H 1 0.490 0.010 . 1 . . . . 35 LEU HD2* . 16211 1 291 . 1 1 35 35 LEU HD22 H 1 0.490 0.010 . 1 . . . . 35 LEU HD2* . 16211 1 292 . 1 1 35 35 LEU HD23 H 1 0.490 0.010 . 1 . . . . 35 LEU HD2* . 16211 1 293 . 1 1 35 35 LEU HG H 1 0.813 0.010 . 1 . . . . 35 LEU HG . 16211 1 294 . 1 1 35 35 LEU N N 15 119.988 0.010 . 1 . . . . 35 LEU N . 16211 1 295 . 1 1 36 36 ALA H H 1 8.833 0.010 . 1 . . . . 36 ALA HN . 16211 1 296 . 1 1 36 36 ALA HA H 1 3.623 0.010 . 1 . . . . 36 ALA HA . 16211 1 297 . 1 1 36 36 ALA HB1 H 1 1.193 0.010 . 1 . . . . 36 ALA HB* . 16211 1 298 . 1 1 36 36 ALA HB2 H 1 1.193 0.010 . 1 . . . . 36 ALA HB* . 16211 1 299 . 1 1 36 36 ALA HB3 H 1 1.193 0.010 . 1 . . . . 36 ALA HB* . 16211 1 300 . 1 1 36 36 ALA N N 15 123.123 0.010 . 1 . . . . 36 ALA N . 16211 1 301 . 1 1 37 37 LYS H H 1 7.838 0.010 . 1 . . . . 37 LYS HN . 16211 1 302 . 1 1 37 37 LYS HA H 1 3.874 0.010 . 1 . . . . 37 LYS HA . 16211 1 303 . 1 1 37 37 LYS HB2 H 1 1.787 0.010 . 2 . . . . 37 LYS HB2 . 16211 1 304 . 1 1 37 37 LYS HB3 H 1 1.788 0.010 . 2 . . . . 37 LYS HB3 . 16211 1 305 . 1 1 37 37 LYS HD2 H 1 1.582 0.010 . 2 . . . . 37 LYS HD2 . 16211 1 306 . 1 1 37 37 LYS HD3 H 1 1.583 0.010 . 2 . . . . 37 LYS HD3 . 16211 1 307 . 1 1 37 37 LYS HE2 H 1 2.758 0.010 . 2 . . . . 37 LYS HE* . 16211 1 308 . 1 1 37 37 LYS HE3 H 1 2.758 0.010 . 2 . . . . 37 LYS HE* . 16211 1 309 . 1 1 37 37 LYS HG2 H 1 1.503 0.010 . 2 . . . . 37 LYS HG2 . 16211 1 310 . 1 1 37 37 LYS HG3 H 1 1.504 0.010 . 2 . . . . 37 LYS HG3 . 16211 1 311 . 1 1 37 37 LYS N N 15 115.868 0.010 . 1 . . . . 37 LYS N . 16211 1 312 . 1 1 38 38 GLU H H 1 7.398 0.010 . 1 . . . . 38 GLU HN . 16211 1 313 . 1 1 38 38 GLU HA H 1 4.103 0.010 . 1 . . . . 38 GLU HA . 16211 1 314 . 1 1 38 38 GLU HB2 H 1 1.910 0.010 . 2 . . . . 38 GLU HB2 . 16211 1 315 . 1 1 38 38 GLU HB3 H 1 1.911 0.010 . 2 . . . . 38 GLU HB3 . 16211 1 316 . 1 1 38 38 GLU HG2 H 1 2.080 0.010 . 2 . . . . 38 GLU HG2 . 16211 1 317 . 1 1 38 38 GLU HG3 H 1 2.230 0.010 . 2 . . . . 38 GLU HG3 . 16211 1 318 . 1 1 38 38 GLU N N 15 115.281 0.010 . 1 . . . . 38 GLU N . 16211 1 319 . 1 1 39 39 LYS H H 1 8.495 0.010 . 1 . . . . 39 LYS HN . 16211 1 320 . 1 1 39 39 LYS HA H 1 4.411 0.010 . 1 . . . . 39 LYS HA . 16211 1 321 . 1 1 39 39 LYS HB2 H 1 1.559 0.010 . 2 . . . . 39 LYS HB2 . 16211 1 322 . 1 1 39 39 LYS HB3 H 1 1.560 0.010 . 2 . . . . 39 LYS HB3 . 16211 1 323 . 1 1 39 39 LYS HD2 H 1 1.342 0.010 . 2 . . . . 39 LYS HD2 . 16211 1 324 . 1 1 39 39 LYS HD3 H 1 1.343 0.010 . 2 . . . . 39 LYS HD3 . 16211 1 325 . 1 1 39 39 LYS HE2 H 1 2.736 0.010 . 2 . . . . 39 LYS HE* . 16211 1 326 . 1 1 39 39 LYS HE3 H 1 2.736 0.010 . 2 . . . . 39 LYS HE* . 16211 1 327 . 1 1 39 39 LYS HG2 H 1 1.169 0.010 . 2 . . . . 39 LYS HG2 . 16211 1 328 . 1 1 39 39 LYS HG3 H 1 1.170 0.010 . 2 . . . . 39 LYS HG3 . 16211 1 329 . 1 1 39 39 LYS N N 15 113.533 0.010 . 1 . . . . 39 LYS N . 16211 1 330 . 1 1 40 40 SER H H 1 8.188 0.010 . 1 . . . . 40 SER HN . 16211 1 331 . 1 1 40 40 SER HA H 1 4.198 0.010 . 1 . . . . 40 SER HA . 16211 1 332 . 1 1 40 40 SER HB2 H 1 3.611 0.010 . 2 . . . . 40 SER HB2 . 16211 1 333 . 1 1 40 40 SER HB3 H 1 3.692 0.010 . 2 . . . . 40 SER HB3 . 16211 1 334 . 1 1 40 40 SER N N 15 111.913 0.010 . 1 . . . . 40 SER N . 16211 1 335 . 1 1 41 41 ALA H H 1 9.472 0.010 . 1 . . . . 41 ALA HN . 16211 1 336 . 1 1 41 41 ALA HA H 1 4.210 0.010 . 1 . . . . 41 ALA HA . 16211 1 337 . 1 1 41 41 ALA HB1 H 1 1.216 0.010 . 1 . . . . 41 ALA HB* . 16211 1 338 . 1 1 41 41 ALA HB2 H 1 1.216 0.010 . 1 . . . . 41 ALA HB* . 16211 1 339 . 1 1 41 41 ALA HB3 H 1 1.216 0.010 . 1 . . . . 41 ALA HB* . 16211 1 340 . 1 1 41 41 ALA N N 15 128.478 0.010 . 1 . . . . 41 ALA N . 16211 1 341 . 1 1 42 42 ASP H H 1 7.328 0.010 . 1 . . . . 42 ASP HN . 16211 1 342 . 1 1 42 42 ASP HA H 1 4.659 0.010 . 1 . . . . 42 ASP HA . 16211 1 343 . 1 1 42 42 ASP HB2 H 1 2.368 0.010 . 2 . . . . 42 ASP HB2 . 16211 1 344 . 1 1 42 42 ASP HB3 H 1 2.414 0.010 . 2 . . . . 42 ASP HB3 . 16211 1 345 . 1 1 42 42 ASP N N 15 118.084 0.010 . 1 . . . . 42 ASP N . 16211 1 346 . 1 1 43 43 ILE H H 1 7.813 0.010 . 1 . . . . 43 ILE HN . 16211 1 347 . 1 1 43 43 ILE HA H 1 3.715 0.010 . 1 . . . . 43 ILE HA . 16211 1 348 . 1 1 43 43 ILE HB H 1 1.780 0.010 . 1 . . . . 43 ILE HB . 16211 1 349 . 1 1 43 43 ILE HD11 H 1 0.773 0.010 . 1 . . . . 43 ILE HD1* . 16211 1 350 . 1 1 43 43 ILE HD12 H 1 0.773 0.010 . 1 . . . . 43 ILE HD1* . 16211 1 351 . 1 1 43 43 ILE HD13 H 1 0.773 0.010 . 1 . . . . 43 ILE HD1* . 16211 1 352 . 1 1 43 43 ILE HG12 H 1 1.205 0.010 . 2 . . . . 43 ILE HG12 . 16211 1 353 . 1 1 43 43 ILE HG13 H 1 1.389 0.010 . 2 . . . . 43 ILE HG13 . 16211 1 354 . 1 1 43 43 ILE HG21 H 1 0.836 0.010 . 1 . . . . 43 ILE HG2* . 16211 1 355 . 1 1 43 43 ILE HG22 H 1 0.836 0.010 . 1 . . . . 43 ILE HG2* . 16211 1 356 . 1 1 43 43 ILE HG23 H 1 0.836 0.010 . 1 . . . . 43 ILE HG2* . 16211 1 357 . 1 1 43 43 ILE N N 15 124.158 0.010 . 1 . . . . 43 ILE N . 16211 1 358 . 1 1 44 44 ILE H H 1 7.765 0.010 . 1 . . . . 44 ILE HN . 16211 1 359 . 1 1 44 44 ILE HA H 1 3.680 0.010 . 1 . . . . 44 ILE HA . 16211 1 360 . 1 1 44 44 ILE HB H 1 1.918 0.010 . 1 . . . . 44 ILE HB . 16211 1 361 . 1 1 44 44 ILE HD11 H 1 0.443 0.010 . 1 . . . . 44 ILE HD1* . 16211 1 362 . 1 1 44 44 ILE HD12 H 1 0.443 0.010 . 1 . . . . 44 ILE HD1* . 16211 1 363 . 1 1 44 44 ILE HD13 H 1 0.443 0.010 . 1 . . . . 44 ILE HD1* . 16211 1 364 . 1 1 44 44 ILE HG12 H 1 1.170 0.010 . 2 . . . . 44 ILE HG12 . 16211 1 365 . 1 1 44 44 ILE HG13 H 1 1.479 0.010 . 2 . . . . 44 ILE HG13 . 16211 1 366 . 1 1 44 44 ILE HG21 H 1 0.791 0.010 . 1 . . . . 44 ILE HG2* . 16211 1 367 . 1 1 44 44 ILE HG22 H 1 0.791 0.010 . 1 . . . . 44 ILE HG2* . 16211 1 368 . 1 1 44 44 ILE HG23 H 1 0.791 0.010 . 1 . . . . 44 ILE HG2* . 16211 1 369 . 1 1 44 44 ILE N N 15 118.644 0.010 . 1 . . . . 44 ILE N . 16211 1 370 . 1 1 45 45 SER H H 1 7.131 0.010 . 1 . . . . 45 SER HN . 16211 1 371 . 1 1 45 45 SER HA H 1 4.348 0.010 . 1 . . . . 45 SER HA . 16211 1 372 . 1 1 45 45 SER HB2 H 1 3.461 0.010 . 2 . . . . 45 SER HB2 . 16211 1 373 . 1 1 45 45 SER HB3 H 1 3.692 0.010 . 2 . . . . 45 SER HB3 . 16211 1 374 . 1 1 45 45 SER N N 15 112.128 0.010 . 1 . . . . 45 SER N . 16211 1 375 . 1 1 46 46 ALA H H 1 8.750 0.010 . 1 . . . . 46 ALA HN . 16211 1 376 . 1 1 46 46 ALA HA H 1 3.703 0.010 . 1 . . . . 46 ALA HA . 16211 1 377 . 1 1 46 46 ALA HB1 H 1 1.364 0.010 . 1 . . . . 46 ALA HB* . 16211 1 378 . 1 1 46 46 ALA HB2 H 1 1.364 0.010 . 1 . . . . 46 ALA HB* . 16211 1 379 . 1 1 46 46 ALA HB3 H 1 1.364 0.010 . 1 . . . . 46 ALA HB* . 16211 1 380 . 1 1 46 46 ALA N N 15 130.693 0.010 . 1 . . . . 46 ALA N . 16211 1 381 . 1 1 47 47 ARG H H 1 7.335 0.010 . 1 . . . . 47 ARG HN . 16211 1 382 . 1 1 47 47 ARG HA H 1 4.034 0.010 . 1 . . . . 47 ARG HA . 16211 1 383 . 1 1 47 47 ARG HB2 H 1 1.802 0.010 . 2 . . . . 47 ARG HB2 . 16211 1 384 . 1 1 47 47 ARG HB3 H 1 1.803 0.010 . 2 . . . . 47 ARG HB3 . 16211 1 385 . 1 1 47 47 ARG HD2 H 1 3.116 0.010 . 2 . . . . 47 ARG HD2 . 16211 1 386 . 1 1 47 47 ARG HD3 H 1 3.116 0.010 . 2 . . . . 47 ARG HD3 . 16211 1 387 . 1 1 47 47 ARG HE H 1 7.126 0.010 . 1 . . . . 47 ARG HE . 16211 1 388 . 1 1 47 47 ARG HG2 H 1 1.676 0.010 . 2 . . . . 47 ARG HG2 . 16211 1 389 . 1 1 47 47 ARG HG3 H 1 1.677 0.010 . 2 . . . . 47 ARG HG3 . 16211 1 390 . 1 1 47 47 ARG N N 15 113.301 0.010 . 1 . . . . 47 ARG N . 16211 1 391 . 1 1 47 47 ARG NE N 15 112.741 0.010 . 1 . . . . 47 ARG NE . 16211 1 392 . 1 1 48 48 ASN H H 1 7.393 0.010 . 1 . . . . 48 ASN HN . 16211 1 393 . 1 1 48 48 ASN HA H 1 5.073 0.010 . 1 . . . . 48 ASN HA . 16211 1 394 . 1 1 48 48 ASN HB2 H 1 2.619 0.010 . 2 . . . . 48 ASN HB2 . 16211 1 395 . 1 1 48 48 ASN HB3 H 1 3.208 0.010 . 2 . . . . 48 ASN HB3 . 16211 1 396 . 1 1 48 48 ASN HD21 H 1 7.654 0.010 . 2 . . . . 48 ASN HD21 . 16211 1 397 . 1 1 48 48 ASN HD22 H 1 6.730 0.010 . 2 . . . . 48 ASN HD22 . 16211 1 398 . 1 1 48 48 ASN N N 15 116.377 0.010 . 1 . . . . 48 ASN N . 16211 1 399 . 1 1 48 48 ASN ND2 N 15 114.164 0.010 . 1 . . . . 48 ASN ND2 . 16211 1 400 . 1 1 49 49 GLY H H 1 8.146 0.010 . 1 . . . . 49 GLY HN . 16211 1 401 . 1 1 49 49 GLY HA2 H 1 4.023 0.010 . 2 . . . . 49 GLY HA1 . 16211 1 402 . 1 1 49 49 GLY HA3 H 1 3.943 0.010 . 2 . . . . 49 GLY HA2 . 16211 1 403 . 1 1 49 49 GLY N N 15 109.272 0.010 . 1 . . . . 49 GLY N . 16211 1 404 . 1 1 50 50 GLY H H 1 8.422 0.010 . 1 . . . . 50 GLY HN . 16211 1 405 . 1 1 50 50 GLY HA2 H 1 4.440 0.010 . 2 . . . . 50 GLY HA1 . 16211 1 406 . 1 1 50 50 GLY HA3 H 1 3.450 0.010 . 2 . . . . 50 GLY HA2 . 16211 1 407 . 1 1 50 50 GLY N N 15 106.705 0.010 . 1 . . . . 50 GLY N . 16211 1 408 . 1 1 51 51 ASP H H 1 6.672 0.010 . 1 . . . . 51 ASP HN . 16211 1 409 . 1 1 51 51 ASP HA H 1 4.601 0.010 . 1 . . . . 51 ASP HA . 16211 1 410 . 1 1 51 51 ASP HB2 H 1 2.657 0.010 . 2 . . . . 51 ASP HB2 . 16211 1 411 . 1 1 51 51 ASP HB3 H 1 2.658 0.010 . 2 . . . . 51 ASP HB3 . 16211 1 412 . 1 1 51 51 ASP N N 15 118.848 0.010 . 1 . . . . 51 ASP N . 16211 1 413 . 1 1 52 52 MET H H 1 9.118 0.010 . 1 . . . . 52 MET HN . 16211 1 414 . 1 1 52 52 MET HA H 1 4.302 0.010 . 1 . . . . 52 MET HA . 16211 1 415 . 1 1 52 52 MET HB2 H 1 2.125 0.010 . 2 . . . . 52 MET HB2 . 16211 1 416 . 1 1 52 52 MET HB3 H 1 2.126 0.010 . 2 . . . . 52 MET HB3 . 16211 1 417 . 1 1 52 52 MET HG2 H 1 2.389 0.010 . 2 . . . . 52 MET HG2 . 16211 1 418 . 1 1 52 52 MET HG3 H 1 2.390 0.010 . 2 . . . . 52 MET HG3 . 16211 1 419 . 1 1 52 52 MET N N 15 126.094 0.010 . 1 . . . . 52 MET N . 16211 1 420 . 1 1 53 53 GLY H H 1 8.274 0.010 . 1 . . . . 53 GLY HN . 16211 1 421 . 1 1 53 53 GLY HA2 H 1 4.049 0.010 . 2 . . . . 53 GLY HA1 . 16211 1 422 . 1 1 53 53 GLY HA3 H 1 3.315 0.010 . 2 . . . . 53 GLY HA2 . 16211 1 423 . 1 1 53 53 GLY N N 15 107.535 0.010 . 1 . . . . 53 GLY N . 16211 1 424 . 1 1 54 54 TRP H H 1 8.154 0.010 . 1 . . . . 54 TRP HN . 16211 1 425 . 1 1 54 54 TRP HA H 1 4.233 0.010 . 1 . . . . 54 TRP HA . 16211 1 426 . 1 1 54 54 TRP HB2 H 1 2.702 0.010 . 2 . . . . 54 TRP HB2 . 16211 1 427 . 1 1 54 54 TRP HB3 H 1 2.955 0.010 . 2 . . . . 54 TRP HB3 . 16211 1 428 . 1 1 54 54 TRP HD1 H 1 7.168 0.010 . 1 . . . . 54 TRP HD1 . 16211 1 429 . 1 1 54 54 TRP HE1 H 1 10.112 0.010 . 1 . . . . 54 TRP HE1 . 16211 1 430 . 1 1 54 54 TRP HE3 H 1 6.922 0.010 . 1 . . . . 54 TRP HE3 . 16211 1 431 . 1 1 54 54 TRP HH2 H 1 6.630 0.010 . 1 . . . . 54 TRP HH2 . 16211 1 432 . 1 1 54 54 TRP HZ2 H 1 7.297 0.010 . 1 . . . . 54 TRP HZ2 . 16211 1 433 . 1 1 54 54 TRP HZ3 H 1 6.547 0.010 . 1 . . . . 54 TRP HZ3 . 16211 1 434 . 1 1 54 54 TRP N N 15 117.028 0.010 . 1 . . . . 54 TRP N . 16211 1 435 . 1 1 54 54 TRP NE1 N 15 129.275 0.010 . 1 . . . . 54 TRP NE1 . 16211 1 436 . 1 1 55 55 LEU H H 1 8.910 0.010 . 1 . . . . 55 LEU HN . 16211 1 437 . 1 1 55 55 LEU HA H 1 4.753 0.010 . 1 . . . . 55 LEU HA . 16211 1 438 . 1 1 55 55 LEU HB2 H 1 1.412 0.010 . 2 . . . . 55 LEU HB2 . 16211 1 439 . 1 1 55 55 LEU HB3 H 1 1.703 0.010 . 2 . . . . 55 LEU HB3 . 16211 1 440 . 1 1 55 55 LEU HD11 H 1 0.906 0.010 . 1 . . . . 55 LEU HD1* . 16211 1 441 . 1 1 55 55 LEU HD12 H 1 0.906 0.010 . 1 . . . . 55 LEU HD1* . 16211 1 442 . 1 1 55 55 LEU HD13 H 1 0.906 0.010 . 1 . . . . 55 LEU HD1* . 16211 1 443 . 1 1 55 55 LEU HD21 H 1 0.867 0.010 . 1 . . . . 55 LEU HD2* . 16211 1 444 . 1 1 55 55 LEU HD22 H 1 0.867 0.010 . 1 . . . . 55 LEU HD2* . 16211 1 445 . 1 1 55 55 LEU HD23 H 1 0.867 0.010 . 1 . . . . 55 LEU HD2* . 16211 1 446 . 1 1 55 55 LEU HG H 1 1.327 0.010 . 1 . . . . 55 LEU HG . 16211 1 447 . 1 1 55 55 LEU N N 15 125.087 0.010 . 1 . . . . 55 LEU N . 16211 1 448 . 1 1 56 56 GLU H H 1 8.213 0.010 . 1 . . . . 56 GLU HN . 16211 1 449 . 1 1 56 56 GLU HA H 1 4.601 0.010 . 1 . . . . 56 GLU HA . 16211 1 450 . 1 1 56 56 GLU HB2 H 1 1.918 0.010 . 2 . . . . 56 GLU HB2 . 16211 1 451 . 1 1 56 56 GLU HB3 H 1 1.919 0.010 . 2 . . . . 56 GLU HB3 . 16211 1 452 . 1 1 56 56 GLU HG2 H 1 2.217 0.010 . 2 . . . . 56 GLU HG2 . 16211 1 453 . 1 1 56 56 GLU HG3 H 1 2.218 0.010 . 2 . . . . 56 GLU HG3 . 16211 1 454 . 1 1 56 56 GLU N N 15 120.058 0.010 . 1 . . . . 56 GLU N . 16211 1 455 . 1 1 57 57 ASP H H 1 8.706 0.010 . 1 . . . . 57 ASP HN . 16211 1 456 . 1 1 57 57 ASP HA H 1 4.256 0.010 . 1 . . . . 57 ASP HA . 16211 1 457 . 1 1 57 57 ASP HB2 H 1 2.516 0.010 . 2 . . . . 57 ASP HB2 . 16211 1 458 . 1 1 57 57 ASP HB3 H 1 2.596 0.010 . 2 . . . . 57 ASP HB3 . 16211 1 459 . 1 1 57 57 ASP N N 15 123.804 0.010 . 1 . . . . 57 ASP N . 16211 1 460 . 1 1 58 58 ALA H H 1 8.566 0.010 . 1 . . . . 58 ALA HN . 16211 1 461 . 1 1 58 58 ALA HA H 1 4.129 0.010 . 1 . . . . 58 ALA HA . 16211 1 462 . 1 1 58 58 ALA HB1 H 1 1.389 0.010 . 1 . . . . 58 ALA HB* . 16211 1 463 . 1 1 58 58 ALA HB2 H 1 1.389 0.010 . 1 . . . . 58 ALA HB* . 16211 1 464 . 1 1 58 58 ALA HB3 H 1 1.389 0.010 . 1 . . . . 58 ALA HB* . 16211 1 465 . 1 1 58 58 ALA N N 15 117.470 0.010 . 1 . . . . 58 ALA N . 16211 1 466 . 1 1 59 59 THR H H 1 7.873 0.010 . 1 . . . . 59 THR HN . 16211 1 467 . 1 1 59 59 THR HA H 1 4.382 0.010 . 1 . . . . 59 THR HA . 16211 1 468 . 1 1 59 59 THR HB H 1 4.647 0.010 . 1 . . . . 59 THR HB . 16211 1 469 . 1 1 59 59 THR HG21 H 1 1.118 0.010 . 1 . . . . 59 THR HG2* . 16211 1 470 . 1 1 59 59 THR HG22 H 1 1.118 0.010 . 1 . . . . 59 THR HG2* . 16211 1 471 . 1 1 59 59 THR HG23 H 1 1.118 0.010 . 1 . . . . 59 THR HG2* . 16211 1 472 . 1 1 59 59 THR N N 15 106.456 0.010 . 1 . . . . 59 THR N . 16211 1 473 . 1 1 60 60 ILE H H 1 7.294 0.010 . 1 . . . . 60 ILE HN . 16211 1 474 . 1 1 60 60 ILE HA H 1 4.095 0.010 . 1 . . . . 60 ILE HA . 16211 1 475 . 1 1 60 60 ILE HB H 1 1.665 0.010 . 1 . . . . 60 ILE HB . 16211 1 476 . 1 1 60 60 ILE HD11 H 1 0.979 0.010 . 1 . . . . 60 ILE HD1* . 16211 1 477 . 1 1 60 60 ILE HD12 H 1 0.979 0.010 . 1 . . . . 60 ILE HD1* . 16211 1 478 . 1 1 60 60 ILE HD13 H 1 0.979 0.010 . 1 . . . . 60 ILE HD1* . 16211 1 479 . 1 1 60 60 ILE HG12 H 1 1.010 0.010 . 2 . . . . 60 ILE HG12 . 16211 1 480 . 1 1 60 60 ILE HG13 H 1 1.841 0.010 . 2 . . . . 60 ILE HG13 . 16211 1 481 . 1 1 60 60 ILE HG21 H 1 0.928 0.010 . 1 . . . . 60 ILE HG2* . 16211 1 482 . 1 1 60 60 ILE HG22 H 1 0.928 0.010 . 1 . . . . 60 ILE HG2* . 16211 1 483 . 1 1 60 60 ILE HG23 H 1 0.928 0.010 . 1 . . . . 60 ILE HG2* . 16211 1 484 . 1 1 60 60 ILE N N 15 124.761 0.010 . 1 . . . . 60 ILE N . 16211 1 485 . 1 1 61 61 PRO HA H 1 4.365 0.010 . 1 . . . . 61 PRO HA . 16211 1 486 . 1 1 61 61 PRO HB2 H 1 1.866 0.010 . 2 . . . . 61 PRO HB2 . 16211 1 487 . 1 1 61 61 PRO HB3 H 1 1.968 0.010 . 2 . . . . 61 PRO HB3 . 16211 1 488 . 1 1 61 61 PRO HD2 H 1 3.289 0.010 . 2 . . . . 61 PRO HD2 . 16211 1 489 . 1 1 61 61 PRO HD3 H 1 3.290 0.010 . 2 . . . . 61 PRO HD3 . 16211 1 490 . 1 1 61 61 PRO HG2 H 1 1.861 0.010 . 2 . . . . 61 PRO HG2 . 16211 1 491 . 1 1 61 61 PRO HG3 H 1 1.970 0.010 . 2 . . . . 61 PRO HG3 . 16211 1 492 . 1 1 62 62 ASP H H 1 8.969 0.010 . 1 . . . . 62 ASP HN . 16211 1 493 . 1 1 62 62 ASP HA H 1 4.072 0.010 . 1 . . . . 62 ASP HA . 16211 1 494 . 1 1 62 62 ASP HB2 H 1 2.436 0.010 . 2 . . . . 62 ASP HB2 . 16211 1 495 . 1 1 62 62 ASP HB3 H 1 2.437 0.010 . 2 . . . . 62 ASP HB3 . 16211 1 496 . 1 1 62 62 ASP N N 15 125.215 0.010 . 1 . . . . 62 ASP N . 16211 1 497 . 1 1 63 63 GLU H H 1 9.542 0.010 . 1 . . . . 63 GLU HN . 16211 1 498 . 1 1 63 63 GLU HA H 1 3.841 0.010 . 1 . . . . 63 GLU HA . 16211 1 499 . 1 1 63 63 GLU HB2 H 1 1.687 0.010 . 2 . . . . 63 GLU HB2 . 16211 1 500 . 1 1 63 63 GLU HB3 H 1 1.688 0.010 . 2 . . . . 63 GLU HB3 . 16211 1 501 . 1 1 63 63 GLU HG2 H 1 2.159 0.010 . 2 . . . . 63 GLU HG2 . 16211 1 502 . 1 1 63 63 GLU HG3 H 1 2.160 0.010 . 2 . . . . 63 GLU HG3 . 16211 1 503 . 1 1 63 63 GLU N N 15 116.092 0.010 . 1 . . . . 63 GLU N . 16211 1 504 . 1 1 64 64 LEU H H 1 6.892 0.010 . 1 . . . . 64 LEU HN . 16211 1 505 . 1 1 64 64 LEU HA H 1 3.829 0.010 . 1 . . . . 64 LEU HA . 16211 1 506 . 1 1 64 64 LEU HB2 H 1 1.192 0.010 . 2 . . . . 64 LEU HB2 . 16211 1 507 . 1 1 64 64 LEU HB3 H 1 1.193 0.010 . 2 . . . . 64 LEU HB3 . 16211 1 508 . 1 1 64 64 LEU HD11 H 1 0.456 0.010 . 1 . . . . 64 LEU HD1* . 16211 1 509 . 1 1 64 64 LEU HD12 H 1 0.456 0.010 . 1 . . . . 64 LEU HD1* . 16211 1 510 . 1 1 64 64 LEU HD13 H 1 0.456 0.010 . 1 . . . . 64 LEU HD1* . 16211 1 511 . 1 1 64 64 LEU HD21 H 1 0.182 0.010 . 1 . . . . 64 LEU HD2* . 16211 1 512 . 1 1 64 64 LEU HD22 H 1 0.182 0.010 . 1 . . . . 64 LEU HD2* . 16211 1 513 . 1 1 64 64 LEU HD23 H 1 0.182 0.010 . 1 . . . . 64 LEU HD2* . 16211 1 514 . 1 1 64 64 LEU HG H 1 0.741 0.010 . 1 . . . . 64 LEU HG . 16211 1 515 . 1 1 64 64 LEU N N 15 116.203 0.010 . 1 . . . . 64 LEU N . 16211 1 516 . 1 1 65 65 LYS H H 1 7.635 0.010 . 1 . . . . 65 LYS HN . 16211 1 517 . 1 1 65 65 LYS HA H 1 3.829 0.010 . 1 . . . . 65 LYS HA . 16211 1 518 . 1 1 65 65 LYS HB2 H 1 1.710 0.010 . 2 . . . . 65 LYS HB2 . 16211 1 519 . 1 1 65 65 LYS HB3 H 1 1.711 0.010 . 2 . . . . 65 LYS HB3 . 16211 1 520 . 1 1 65 65 LYS HD2 H 1 1.607 0.010 . 2 . . . . 65 LYS HD2 . 16211 1 521 . 1 1 65 65 LYS HD3 H 1 1.608 0.010 . 2 . . . . 65 LYS HD3 . 16211 1 522 . 1 1 65 65 LYS HE2 H 1 2.955 0.010 . 2 . . . . 65 LYS HE* . 16211 1 523 . 1 1 65 65 LYS HE3 H 1 2.955 0.010 . 2 . . . . 65 LYS HE* . 16211 1 524 . 1 1 65 65 LYS HG2 H 1 1.333 0.010 . 2 . . . . 65 LYS HG2 . 16211 1 525 . 1 1 65 65 LYS HG3 H 1 1.334 0.010 . 2 . . . . 65 LYS HG3 . 16211 1 526 . 1 1 65 65 LYS N N 15 120.789 0.010 . 1 . . . . 65 LYS N . 16211 1 527 . 1 1 66 66 ASN H H 1 8.270 0.010 . 1 . . . . 66 ASN HN . 16211 1 528 . 1 1 66 66 ASN HA H 1 4.502 0.010 . 1 . . . . 66 ASN HA . 16211 1 529 . 1 1 66 66 ASN HB2 H 1 2.665 0.010 . 2 . . . . 66 ASN HB2 . 16211 1 530 . 1 1 66 66 ASN HB3 H 1 2.790 0.010 . 2 . . . . 66 ASN HB3 . 16211 1 531 . 1 1 66 66 ASN HD21 H 1 7.372 0.010 . 2 . . . . 66 ASN HD21 . 16211 1 532 . 1 1 66 66 ASN HD22 H 1 6.848 0.010 . 2 . . . . 66 ASN HD22 . 16211 1 533 . 1 1 66 66 ASN N N 15 114.881 0.010 . 1 . . . . 66 ASN N . 16211 1 534 . 1 1 66 66 ASN ND2 N 15 112.142 0.010 . 1 . . . . 66 ASN ND2 . 16211 1 535 . 1 1 67 67 ALA H H 1 7.136 0.010 . 1 . . . . 67 ALA HN . 16211 1 536 . 1 1 67 67 ALA HA H 1 4.095 0.010 . 1 . . . . 67 ALA HA . 16211 1 537 . 1 1 67 67 ALA HB1 H 1 1.378 0.010 . 1 . . . . 67 ALA HB* . 16211 1 538 . 1 1 67 67 ALA HB2 H 1 1.378 0.010 . 1 . . . . 67 ALA HB* . 16211 1 539 . 1 1 67 67 ALA HB3 H 1 1.378 0.010 . 1 . . . . 67 ALA HB* . 16211 1 540 . 1 1 67 67 ALA N N 15 120.993 0.010 . 1 . . . . 67 ALA N . 16211 1 541 . 1 1 68 68 GLY H H 1 7.654 0.010 . 1 . . . . 68 GLY HN . 16211 1 542 . 1 1 68 68 GLY HA2 H 1 3.715 0.010 . 2 . . . . 68 GLY HA1 . 16211 1 543 . 1 1 68 68 GLY HA3 H 1 3.714 0.010 . 2 . . . . 68 GLY HA2 . 16211 1 544 . 1 1 68 68 GLY N N 15 104.575 0.010 . 1 . . . . 68 GLY N . 16211 1 545 . 1 1 69 69 LEU H H 1 8.208 0.010 . 1 . . . . 69 LEU HN . 16211 1 546 . 1 1 69 69 LEU HA H 1 4.002 0.010 . 1 . . . . 69 LEU HA . 16211 1 547 . 1 1 69 69 LEU HB2 H 1 1.475 0.010 . 2 . . . . 69 LEU HB2 . 16211 1 548 . 1 1 69 69 LEU HB3 H 1 1.907 0.010 . 2 . . . . 69 LEU HB3 . 16211 1 549 . 1 1 69 69 LEU HD11 H 1 0.825 0.010 . 1 . . . . 69 LEU HD1* . 16211 1 550 . 1 1 69 69 LEU HD12 H 1 0.825 0.010 . 1 . . . . 69 LEU HD1* . 16211 1 551 . 1 1 69 69 LEU HD13 H 1 0.825 0.010 . 1 . . . . 69 LEU HD1* . 16211 1 552 . 1 1 69 69 LEU HD21 H 1 0.479 0.010 . 1 . . . . 69 LEU HD2* . 16211 1 553 . 1 1 69 69 LEU HD22 H 1 0.479 0.010 . 1 . . . . 69 LEU HD2* . 16211 1 554 . 1 1 69 69 LEU HD23 H 1 0.479 0.010 . 1 . . . . 69 LEU HD2* . 16211 1 555 . 1 1 69 69 LEU HG H 1 1.170 0.010 . 1 . . . . 69 LEU HG . 16211 1 556 . 1 1 69 69 LEU N N 15 119.478 0.010 . 1 . . . . 69 LEU N . 16211 1 557 . 1 1 70 70 LYS H H 1 8.525 0.010 . 1 . . . . 70 LYS HN . 16211 1 558 . 1 1 70 70 LYS HA H 1 4.342 0.010 . 1 . . . . 70 LYS HA . 16211 1 559 . 1 1 70 70 LYS HB2 H 1 1.664 0.010 . 2 . . . . 70 LYS HB2 . 16211 1 560 . 1 1 70 70 LYS HB3 H 1 1.665 0.010 . 2 . . . . 70 LYS HB3 . 16211 1 561 . 1 1 70 70 LYS HD2 H 1 1.550 0.010 . 2 . . . . 70 LYS HD2 . 16211 1 562 . 1 1 70 70 LYS HD3 H 1 1.757 0.010 . 2 . . . . 70 LYS HD3 . 16211 1 563 . 1 1 70 70 LYS HE2 H 1 2.862 0.010 . 2 . . . . 70 LYS HE* . 16211 1 564 . 1 1 70 70 LYS HE3 H 1 2.862 0.010 . 2 . . . . 70 LYS HE* . 16211 1 565 . 1 1 70 70 LYS HG2 H 1 1.284 0.010 . 2 . . . . 70 LYS HG2 . 16211 1 566 . 1 1 70 70 LYS HG3 H 1 1.285 0.010 . 2 . . . . 70 LYS HG3 . 16211 1 567 . 1 1 70 70 LYS N N 15 120.087 0.010 . 1 . . . . 70 LYS N . 16211 1 568 . 1 1 71 71 GLU H H 1 7.727 0.010 . 1 . . . . 71 GLU HN . 16211 1 569 . 1 1 71 71 GLU HA H 1 4.532 0.010 . 1 . . . . 71 GLU HA . 16211 1 570 . 1 1 71 71 GLU HB2 H 1 1.677 0.010 . 2 . . . . 71 GLU HB2 . 16211 1 571 . 1 1 71 71 GLU HB3 H 1 2.092 0.010 . 2 . . . . 71 GLU HB3 . 16211 1 572 . 1 1 71 71 GLU HG2 H 1 1.919 0.010 . 2 . . . . 71 GLU HG2 . 16211 1 573 . 1 1 71 71 GLU HG3 H 1 2.094 0.010 . 2 . . . . 71 GLU HG3 . 16211 1 574 . 1 1 71 71 GLU N N 15 118.339 0.010 . 1 . . . . 71 GLU N . 16211 1 575 . 1 1 72 72 LYS H H 1 8.574 0.010 . 1 . . . . 72 LYS HN . 16211 1 576 . 1 1 72 72 LYS HA H 1 3.519 0.010 . 1 . . . . 72 LYS HA . 16211 1 577 . 1 1 72 72 LYS HB2 H 1 1.549 0.010 . 2 . . . . 72 LYS HB2 . 16211 1 578 . 1 1 72 72 LYS HB3 H 1 1.596 0.010 . 2 . . . . 72 LYS HB3 . 16211 1 579 . 1 1 72 72 LYS HD2 H 1 1.422 0.010 . 2 . . . . 72 LYS HD2 . 16211 1 580 . 1 1 72 72 LYS HD3 H 1 1.423 0.010 . 2 . . . . 72 LYS HD3 . 16211 1 581 . 1 1 72 72 LYS HE2 H 1 2.701 0.010 . 2 . . . . 72 LYS HE* . 16211 1 582 . 1 1 72 72 LYS HE3 H 1 2.701 0.010 . 2 . . . . 72 LYS HE* . 16211 1 583 . 1 1 72 72 LYS HG2 H 1 1.008 0.010 . 2 . . . . 72 LYS HG2 . 16211 1 584 . 1 1 72 72 LYS HG3 H 1 1.009 0.010 . 2 . . . . 72 LYS HG3 . 16211 1 585 . 1 1 72 72 LYS N N 15 122.270 0.010 . 1 . . . . 72 LYS N . 16211 1 586 . 1 1 73 73 GLY H H 1 9.551 0.010 . 1 . . . . 73 GLY HN . 16211 1 587 . 1 1 73 73 GLY HA2 H 1 4.148 0.010 . 2 . . . . 73 GLY HA1 . 16211 1 588 . 1 1 73 73 GLY HA3 H 1 3.349 0.010 . 2 . . . . 73 GLY HA2 . 16211 1 589 . 1 1 73 73 GLY N N 15 114.854 0.010 . 1 . . . . 73 GLY N . 16211 1 590 . 1 1 74 74 GLN H H 1 7.926 0.010 . 1 . . . . 74 GLN HN . 16211 1 591 . 1 1 74 74 GLN HA H 1 3.979 0.010 . 1 . . . . 74 GLN HA . 16211 1 592 . 1 1 74 74 GLN HB2 H 1 1.953 0.010 . 2 . . . . 74 GLN HB2 . 16211 1 593 . 1 1 74 74 GLN HB3 H 1 2.195 0.010 . 2 . . . . 74 GLN HB3 . 16211 1 594 . 1 1 74 74 GLN HE21 H 1 7.760 0.010 . 2 . . . . 74 GLN HE21 . 16211 1 595 . 1 1 74 74 GLN HE22 H 1 7.046 0.010 . 2 . . . . 74 GLN HE22 . 16211 1 596 . 1 1 74 74 GLN HG2 H 1 2.322 0.010 . 2 . . . . 74 GLN HG2 . 16211 1 597 . 1 1 74 74 GLN HG3 H 1 2.552 0.010 . 2 . . . . 74 GLN HG3 . 16211 1 598 . 1 1 74 74 GLN N N 15 122.200 0.010 . 1 . . . . 74 GLN N . 16211 1 599 . 1 1 74 74 GLN NE2 N 15 112.773 0.010 . 1 . . . . 74 GLN NE2 . 16211 1 600 . 1 1 75 75 LEU H H 1 8.130 0.010 . 1 . . . . 75 LEU HN . 16211 1 601 . 1 1 75 75 LEU HA H 1 5.187 0.010 . 1 . . . . 75 LEU HA . 16211 1 602 . 1 1 75 75 LEU HB2 H 1 1.642 0.010 . 2 . . . . 75 LEU HB2 . 16211 1 603 . 1 1 75 75 LEU HB3 H 1 1.849 0.010 . 2 . . . . 75 LEU HB3 . 16211 1 604 . 1 1 75 75 LEU HD11 H 1 0.882 0.010 . 1 . . . . 75 LEU HD1* . 16211 1 605 . 1 1 75 75 LEU HD12 H 1 0.882 0.010 . 1 . . . . 75 LEU HD1* . 16211 1 606 . 1 1 75 75 LEU HD13 H 1 0.882 0.010 . 1 . . . . 75 LEU HD1* . 16211 1 607 . 1 1 75 75 LEU HD21 H 1 0.478 0.010 . 1 . . . . 75 LEU HD2* . 16211 1 608 . 1 1 75 75 LEU HD22 H 1 0.478 0.010 . 1 . . . . 75 LEU HD2* . 16211 1 609 . 1 1 75 75 LEU HD23 H 1 0.478 0.010 . 1 . . . . 75 LEU HD2* . 16211 1 610 . 1 1 75 75 LEU HG H 1 1.550 0.010 . 1 . . . . 75 LEU HG . 16211 1 611 . 1 1 75 75 LEU N N 15 124.036 0.010 . 1 . . . . 75 LEU N . 16211 1 612 . 1 1 76 76 SER H H 1 9.245 0.010 . 1 . . . . 76 SER HN . 16211 1 613 . 1 1 76 76 SER HA H 1 4.382 0.010 . 1 . . . . 76 SER HA . 16211 1 614 . 1 1 76 76 SER HB2 H 1 3.737 0.010 . 2 . . . . 76 SER HB2 . 16211 1 615 . 1 1 76 76 SER HB3 H 1 3.738 0.010 . 2 . . . . 76 SER HB3 . 16211 1 616 . 1 1 76 76 SER N N 15 119.351 0.010 . 1 . . . . 76 SER N . 16211 1 617 . 1 1 77 77 GLY H H 1 7.656 0.010 . 1 . . . . 77 GLY HN . 16211 1 618 . 1 1 77 77 GLY HA2 H 1 4.371 0.010 . 2 . . . . 77 GLY HA1 . 16211 1 619 . 1 1 77 77 GLY HA3 H 1 3.611 0.010 . 2 . . . . 77 GLY HA2 . 16211 1 620 . 1 1 77 77 GLY N N 15 102.417 0.010 . 1 . . . . 77 GLY N . 16211 1 621 . 1 1 78 78 VAL H H 1 8.421 0.010 . 1 . . . . 78 VAL HN . 16211 1 622 . 1 1 78 78 VAL HA H 1 3.853 0.010 . 1 . . . . 78 VAL HA . 16211 1 623 . 1 1 78 78 VAL HB H 1 1.948 0.010 . 1 . . . . 78 VAL HB . 16211 1 624 . 1 1 78 78 VAL HG11 H 1 0.848 0.010 . 1 . . . . 78 VAL HG1* . 16211 1 625 . 1 1 78 78 VAL HG12 H 1 0.848 0.010 . 1 . . . . 78 VAL HG1* . 16211 1 626 . 1 1 78 78 VAL HG13 H 1 0.848 0.010 . 1 . . . . 78 VAL HG1* . 16211 1 627 . 1 1 78 78 VAL HG21 H 1 0.773 0.010 . 1 . . . . 78 VAL HG2* . 16211 1 628 . 1 1 78 78 VAL HG22 H 1 0.773 0.010 . 1 . . . . 78 VAL HG2* . 16211 1 629 . 1 1 78 78 VAL HG23 H 1 0.773 0.010 . 1 . . . . 78 VAL HG2* . 16211 1 630 . 1 1 78 78 VAL N N 15 118.736 0.010 . 1 . . . . 78 VAL N . 16211 1 631 . 1 1 79 79 ILE H H 1 9.387 0.010 . 1 . . . . 79 ILE HN . 16211 1 632 . 1 1 79 79 ILE HA H 1 4.210 0.010 . 1 . . . . 79 ILE HA . 16211 1 633 . 1 1 79 79 ILE HB H 1 1.711 0.010 . 1 . . . . 79 ILE HB . 16211 1 634 . 1 1 79 79 ILE HD11 H 1 0.733 0.010 . 1 . . . . 79 ILE HD1* . 16211 1 635 . 1 1 79 79 ILE HD12 H 1 0.733 0.010 . 1 . . . . 79 ILE HD1* . 16211 1 636 . 1 1 79 79 ILE HD13 H 1 0.733 0.010 . 1 . . . . 79 ILE HD1* . 16211 1 637 . 1 1 79 79 ILE HG12 H 1 0.950 0.010 . 2 . . . . 79 ILE HG12 . 16211 1 638 . 1 1 79 79 ILE HG13 H 1 1.551 0.010 . 2 . . . . 79 ILE HG13 . 16211 1 639 . 1 1 79 79 ILE HG21 H 1 0.664 0.010 . 1 . . . . 79 ILE HG2* . 16211 1 640 . 1 1 79 79 ILE HG22 H 1 0.664 0.010 . 1 . . . . 79 ILE HG2* . 16211 1 641 . 1 1 79 79 ILE HG23 H 1 0.664 0.010 . 1 . . . . 79 ILE HG2* . 16211 1 642 . 1 1 79 79 ILE N N 15 132.591 0.010 . 1 . . . . 79 ILE N . 16211 1 643 . 1 1 80 80 LYS H H 1 8.628 0.010 . 1 . . . . 80 LYS HN . 16211 1 644 . 1 1 80 80 LYS HA H 1 3.922 0.010 . 1 . . . . 80 LYS HA . 16211 1 645 . 1 1 80 80 LYS HB2 H 1 1.618 0.010 . 2 . . . . 80 LYS HB2 . 16211 1 646 . 1 1 80 80 LYS HB3 H 1 1.619 0.010 . 2 . . . . 80 LYS HB3 . 16211 1 647 . 1 1 80 80 LYS HD2 H 1 1.491 0.010 . 2 . . . . 80 LYS HD2 . 16211 1 648 . 1 1 80 80 LYS HD3 H 1 1.492 0.010 . 2 . . . . 80 LYS HD3 . 16211 1 649 . 1 1 80 80 LYS HE2 H 1 2.828 0.010 . 2 . . . . 80 LYS HE* . 16211 1 650 . 1 1 80 80 LYS HE3 H 1 2.828 0.010 . 2 . . . . 80 LYS HE* . 16211 1 651 . 1 1 80 80 LYS HG2 H 1 1.066 0.010 . 2 . . . . 80 LYS HG2 . 16211 1 652 . 1 1 80 80 LYS HG3 H 1 1.067 0.010 . 2 . . . . 80 LYS HG3 . 16211 1 653 . 1 1 80 80 LYS N N 15 128.368 0.010 . 1 . . . . 80 LYS N . 16211 1 654 . 1 1 81 81 SER H H 1 7.919 0.010 . 1 . . . . 81 SER HN . 16211 1 655 . 1 1 81 81 SER HA H 1 3.703 0.010 . 1 . . . . 81 SER HA . 16211 1 656 . 1 1 81 81 SER HB2 H 1 3.196 0.010 . 2 . . . . 81 SER HB2 . 16211 1 657 . 1 1 81 81 SER HB3 H 1 3.197 0.010 . 2 . . . . 81 SER HB3 . 16211 1 658 . 1 1 81 81 SER N N 15 122.449 0.010 . 1 . . . . 81 SER N . 16211 1 659 . 1 1 82 82 SER H H 1 8.566 0.010 . 1 . . . . 82 SER HN . 16211 1 660 . 1 1 82 82 SER HA H 1 4.019 0.010 . 1 . . . . 82 SER HA . 16211 1 661 . 1 1 82 82 SER HB2 H 1 3.803 0.010 . 2 . . . . 82 SER HB2 . 16211 1 662 . 1 1 82 82 SER HB3 H 1 3.804 0.010 . 2 . . . . 82 SER HB3 . 16211 1 663 . 1 1 82 82 SER N N 15 117.460 0.010 . 1 . . . . 82 SER N . 16211 1 664 . 1 1 83 83 VAL H H 1 7.232 0.010 . 1 . . . . 83 VAL HN . 16211 1 665 . 1 1 83 83 VAL HA H 1 4.182 0.010 . 1 . . . . 83 VAL HA . 16211 1 666 . 1 1 83 83 VAL HB H 1 2.045 0.010 . 1 . . . . 83 VAL HB . 16211 1 667 . 1 1 83 83 VAL HG11 H 1 0.710 0.010 . 1 . . . . 83 VAL HG1* . 16211 1 668 . 1 1 83 83 VAL HG12 H 1 0.710 0.010 . 1 . . . . 83 VAL HG1* . 16211 1 669 . 1 1 83 83 VAL HG13 H 1 0.710 0.010 . 1 . . . . 83 VAL HG1* . 16211 1 670 . 1 1 83 83 VAL HG21 H 1 0.583 0.010 . 1 . . . . 83 VAL HG2* . 16211 1 671 . 1 1 83 83 VAL HG22 H 1 0.583 0.010 . 1 . . . . 83 VAL HG2* . 16211 1 672 . 1 1 83 83 VAL HG23 H 1 0.583 0.010 . 1 . . . . 83 VAL HG2* . 16211 1 673 . 1 1 83 83 VAL N N 15 113.299 0.010 . 1 . . . . 83 VAL N . 16211 1 674 . 1 1 84 84 GLY H H 1 7.160 0.010 . 1 . . . . 84 GLY HN . 16211 1 675 . 1 1 84 84 GLY HA2 H 1 4.194 0.010 . 2 . . . . 84 GLY HA1 . 16211 1 676 . 1 1 84 84 GLY HA3 H 1 3.509 0.010 . 2 . . . . 84 GLY HA2 . 16211 1 677 . 1 1 84 84 GLY N N 15 109.922 0.010 . 1 . . . . 84 GLY N . 16211 1 678 . 1 1 85 85 PHE H H 1 8.583 0.010 . 1 . . . . 85 PHE HN . 16211 1 679 . 1 1 85 85 PHE HA H 1 4.935 0.010 . 1 . . . . 85 PHE HA . 16211 1 680 . 1 1 85 85 PHE HB2 H 1 2.379 0.010 . 2 . . . . 85 PHE HB2 . 16211 1 681 . 1 1 85 85 PHE HB3 H 1 2.713 0.010 . 2 . . . . 85 PHE HB3 . 16211 1 682 . 1 1 85 85 PHE HD1 H 1 6.654 0.010 . 3 . . . . 85 PHE HD* . 16211 1 683 . 1 1 85 85 PHE HD2 H 1 6.654 0.010 . 3 . . . . 85 PHE HD* . 16211 1 684 . 1 1 85 85 PHE HE1 H 1 7.266 0.010 . 3 . . . . 85 PHE HE* . 16211 1 685 . 1 1 85 85 PHE HE2 H 1 7.266 0.010 . 3 . . . . 85 PHE HE* . 16211 1 686 . 1 1 85 85 PHE HZ H 1 7.265 0.010 . 1 . . . . 85 PHE HZ . 16211 1 687 . 1 1 85 85 PHE N N 15 122.045 0.010 . 1 . . . . 85 PHE N . 16211 1 688 . 1 1 86 86 LEU H H 1 9.525 0.010 . 1 . . . . 86 LEU HN . 16211 1 689 . 1 1 86 86 LEU HA H 1 5.476 0.010 . 1 . . . . 86 LEU HA . 16211 1 690 . 1 1 86 86 LEU HB2 H 1 1.182 0.010 . 2 . . . . 86 LEU HB2 . 16211 1 691 . 1 1 86 86 LEU HB3 H 1 1.446 0.010 . 2 . . . . 86 LEU HB3 . 16211 1 692 . 1 1 86 86 LEU HD11 H 1 0.649 0.010 . 1 . . . . 86 LEU HD1* . 16211 1 693 . 1 1 86 86 LEU HD12 H 1 0.649 0.010 . 1 . . . . 86 LEU HD1* . 16211 1 694 . 1 1 86 86 LEU HD13 H 1 0.649 0.010 . 1 . . . . 86 LEU HD1* . 16211 1 695 . 1 1 86 86 LEU HD21 H 1 0.583 0.010 . 1 . . . . 86 LEU HD2* . 16211 1 696 . 1 1 86 86 LEU HD22 H 1 0.583 0.010 . 1 . . . . 86 LEU HD2* . 16211 1 697 . 1 1 86 86 LEU HD23 H 1 0.583 0.010 . 1 . . . . 86 LEU HD2* . 16211 1 698 . 1 1 86 86 LEU HG H 1 1.354 0.010 . 1 . . . . 86 LEU HG . 16211 1 699 . 1 1 86 86 LEU N N 15 121.224 0.010 . 1 . . . . 86 LEU N . 16211 1 700 . 1 1 87 87 ILE H H 1 8.479 0.010 . 1 . . . . 87 ILE HN . 16211 1 701 . 1 1 87 87 ILE HA H 1 4.002 0.010 . 1 . . . . 87 ILE HA . 16211 1 702 . 1 1 87 87 ILE HB H 1 1.446 0.010 . 1 . . . . 87 ILE HB . 16211 1 703 . 1 1 87 87 ILE HD11 H 1 0.710 0.010 . 1 . . . . 87 ILE HD1* . 16211 1 704 . 1 1 87 87 ILE HD12 H 1 0.710 0.010 . 1 . . . . 87 ILE HD1* . 16211 1 705 . 1 1 87 87 ILE HD13 H 1 0.710 0.010 . 1 . . . . 87 ILE HD1* . 16211 1 706 . 1 1 87 87 ILE HG12 H 1 0.974 0.010 . 2 . . . . 87 ILE HG12 . 16211 1 707 . 1 1 87 87 ILE HG13 H 1 1.308 0.010 . 2 . . . . 87 ILE HG13 . 16211 1 708 . 1 1 87 87 ILE HG21 H 1 0.767 0.010 . 1 . . . . 87 ILE HG2* . 16211 1 709 . 1 1 87 87 ILE HG22 H 1 0.767 0.010 . 1 . . . . 87 ILE HG2* . 16211 1 710 . 1 1 87 87 ILE HG23 H 1 0.767 0.010 . 1 . . . . 87 ILE HG2* . 16211 1 711 . 1 1 87 87 ILE N N 15 119.241 0.010 . 1 . . . . 87 ILE N . 16211 1 712 . 1 1 88 88 VAL H H 1 8.838 0.010 . 1 . . . . 88 VAL HN . 16211 1 713 . 1 1 88 88 VAL HA H 1 4.935 0.010 . 1 . . . . 88 VAL HA . 16211 1 714 . 1 1 88 88 VAL HB H 1 1.677 0.010 . 1 . . . . 88 VAL HB . 16211 1 715 . 1 1 88 88 VAL HG11 H 1 0.835 0.010 . 1 . . . . 88 VAL HG1* . 16211 1 716 . 1 1 88 88 VAL HG12 H 1 0.835 0.010 . 1 . . . . 88 VAL HG1* . 16211 1 717 . 1 1 88 88 VAL HG13 H 1 0.835 0.010 . 1 . . . . 88 VAL HG1* . 16211 1 718 . 1 1 88 88 VAL HG21 H 1 0.698 0.010 . 1 . . . . 88 VAL HG2* . 16211 1 719 . 1 1 88 88 VAL HG22 H 1 0.698 0.010 . 1 . . . . 88 VAL HG2* . 16211 1 720 . 1 1 88 88 VAL HG23 H 1 0.698 0.010 . 1 . . . . 88 VAL HG2* . 16211 1 721 . 1 1 88 88 VAL N N 15 125.698 0.010 . 1 . . . . 88 VAL N . 16211 1 722 . 1 1 89 89 ARG H H 1 9.061 0.010 . 1 . . . . 89 ARG HN . 16211 1 723 . 1 1 89 89 ARG HA H 1 5.200 0.010 . 1 . . . . 89 ARG HA . 16211 1 724 . 1 1 89 89 ARG HB2 H 1 1.048 0.010 . 2 . . . . 89 ARG HB2 . 16211 1 725 . 1 1 89 89 ARG HB3 H 1 1.049 0.010 . 2 . . . . 89 ARG HB3 . 16211 1 726 . 1 1 89 89 ARG HD2 H 1 2.505 0.010 . 2 . . . . 89 ARG HD2 . 16211 1 727 . 1 1 89 89 ARG HD3 H 1 2.712 0.010 . 2 . . . . 89 ARG HD3 . 16211 1 728 . 1 1 89 89 ARG HE H 1 7.879 0.010 . 1 . . . . 89 ARG HE . 16211 1 729 . 1 1 89 89 ARG HG2 H 1 0.789 0.010 . 2 . . . . 89 ARG HG2 . 16211 1 730 . 1 1 89 89 ARG HG3 H 1 0.790 0.010 . 2 . . . . 89 ARG HG3 . 16211 1 731 . 1 1 89 89 ARG N N 15 126.677 0.010 . 1 . . . . 89 ARG N . 16211 1 732 . 1 1 89 89 ARG NE N 15 113.268 0.010 . 1 . . . . 89 ARG NE . 16211 1 733 . 1 1 90 90 LEU H H 1 8.047 0.010 . 1 . . . . 90 LEU HN . 16211 1 734 . 1 1 90 90 LEU HA H 1 4.164 0.010 . 1 . . . . 90 LEU HA . 16211 1 735 . 1 1 90 90 LEU HB2 H 1 1.929 0.010 . 2 . . . . 90 LEU HB2 . 16211 1 736 . 1 1 90 90 LEU HB3 H 1 1.930 0.010 . 2 . . . . 90 LEU HB3 . 16211 1 737 . 1 1 90 90 LEU HD11 H 1 0.836 0.010 . 1 . . . . 90 LEU HD1* . 16211 1 738 . 1 1 90 90 LEU HD12 H 1 0.836 0.010 . 1 . . . . 90 LEU HD1* . 16211 1 739 . 1 1 90 90 LEU HD13 H 1 0.836 0.010 . 1 . . . . 90 LEU HD1* . 16211 1 740 . 1 1 90 90 LEU HD21 H 1 0.283 0.010 . 1 . . . . 90 LEU HD2* . 16211 1 741 . 1 1 90 90 LEU HD22 H 1 0.283 0.010 . 1 . . . . 90 LEU HD2* . 16211 1 742 . 1 1 90 90 LEU HD23 H 1 0.283 0.010 . 1 . . . . 90 LEU HD2* . 16211 1 743 . 1 1 90 90 LEU HG H 1 1.095 0.010 . 1 . . . . 90 LEU HG . 16211 1 744 . 1 1 90 90 LEU N N 15 127.853 0.010 . 1 . . . . 90 LEU N . 16211 1 745 . 1 1 91 91 ASP H H 1 8.569 0.010 . 1 . . . . 91 ASP HN . 16211 1 746 . 1 1 91 91 ASP HA H 1 4.491 0.010 . 1 . . . . 91 ASP HA . 16211 1 747 . 1 1 91 91 ASP HB2 H 1 1.815 0.010 . 2 . . . . 91 ASP HB2 . 16211 1 748 . 1 1 91 91 ASP HB3 H 1 2.172 0.010 . 2 . . . . 91 ASP HB3 . 16211 1 749 . 1 1 91 91 ASP N N 15 128.030 0.010 . 1 . . . . 91 ASP N . 16211 1 750 . 1 1 92 92 ASP H H 1 7.672 0.010 . 1 . . . . 92 ASP HN . 16211 1 751 . 1 1 92 92 ASP HA H 1 4.555 0.010 . 1 . . . . 92 ASP HA . 16211 1 752 . 1 1 92 92 ASP HB2 H 1 2.092 0.010 . 2 . . . . 92 ASP HB2 . 16211 1 753 . 1 1 92 92 ASP HB3 H 1 2.161 0.010 . 2 . . . . 92 ASP HB3 . 16211 1 754 . 1 1 92 92 ASP N N 15 115.964 0.010 . 1 . . . . 92 ASP N . 16211 1 755 . 1 1 93 93 ILE H H 1 8.889 0.010 . 1 . . . . 93 ILE HN . 16211 1 756 . 1 1 93 93 ILE HA H 1 4.751 0.010 . 1 . . . . 93 ILE HA . 16211 1 757 . 1 1 93 93 ILE HB H 1 1.527 0.010 . 1 . . . . 93 ILE HB . 16211 1 758 . 1 1 93 93 ILE HD11 H 1 0.882 0.010 . 1 . . . . 93 ILE HD1* . 16211 1 759 . 1 1 93 93 ILE HD12 H 1 0.882 0.010 . 1 . . . . 93 ILE HD1* . 16211 1 760 . 1 1 93 93 ILE HD13 H 1 0.882 0.010 . 1 . . . . 93 ILE HD1* . 16211 1 761 . 1 1 93 93 ILE HG12 H 1 1.376 0.010 . 2 . . . . 93 ILE HG12 . 16211 1 762 . 1 1 93 93 ILE HG13 H 1 1.377 0.010 . 2 . . . . 93 ILE HG13 . 16211 1 763 . 1 1 93 93 ILE HG21 H 1 0.756 0.010 . 1 . . . . 93 ILE HG2* . 16211 1 764 . 1 1 93 93 ILE HG22 H 1 0.756 0.010 . 1 . . . . 93 ILE HG2* . 16211 1 765 . 1 1 93 93 ILE HG23 H 1 0.756 0.010 . 1 . . . . 93 ILE HG2* . 16211 1 766 . 1 1 93 93 ILE N N 15 120.472 0.010 . 1 . . . . 93 ILE N . 16211 1 767 . 1 1 94 94 GLN H H 1 8.851 0.010 . 1 . . . . 94 GLN HN . 16211 1 768 . 1 1 94 94 GLN HA H 1 4.422 0.010 . 1 . . . . 94 GLN HA . 16211 1 769 . 1 1 94 94 GLN HB2 H 1 1.401 0.010 . 2 . . . . 94 GLN HB2 . 16211 1 770 . 1 1 94 94 GLN HB3 H 1 1.631 0.010 . 2 . . . . 94 GLN HB3 . 16211 1 771 . 1 1 94 94 GLN HE21 H 1 6.793 0.010 . 2 . . . . 94 GLN HE21 . 16211 1 772 . 1 1 94 94 GLN HE22 H 1 6.385 0.010 . 2 . . . . 94 GLN HE22 . 16211 1 773 . 1 1 94 94 GLN HG2 H 1 1.883 0.010 . 2 . . . . 94 GLN HG2 . 16211 1 774 . 1 1 94 94 GLN HG3 H 1 1.884 0.010 . 2 . . . . 94 GLN HG3 . 16211 1 775 . 1 1 94 94 GLN N N 15 126.658 0.010 . 1 . . . . 94 GLN N . 16211 1 776 . 1 1 94 94 GLN NE2 N 15 111.185 0.010 . 1 . . . . 94 GLN NE2 . 16211 1 777 . 1 1 95 95 ALA H H 1 8.525 0.010 . 1 . . . . 95 ALA HN . 16211 1 778 . 1 1 95 95 ALA HA H 1 4.210 0.010 . 1 . . . . 95 ALA HA . 16211 1 779 . 1 1 95 95 ALA HB1 H 1 1.217 0.010 . 1 . . . . 95 ALA HB* . 16211 1 780 . 1 1 95 95 ALA HB2 H 1 1.217 0.010 . 1 . . . . 95 ALA HB* . 16211 1 781 . 1 1 95 95 ALA HB3 H 1 1.217 0.010 . 1 . . . . 95 ALA HB* . 16211 1 782 . 1 1 95 95 ALA N N 15 127.085 0.010 . 1 . . . . 95 ALA N . 16211 1 783 . 1 1 96 96 ALA H H 1 8.308 0.010 . 1 . . . . 96 ALA HN . 16211 1 784 . 1 1 96 96 ALA HA H 1 4.036 0.010 . 1 . . . . 96 ALA HA . 16211 1 785 . 1 1 96 96 ALA HB1 H 1 1.136 0.010 . 1 . . . . 96 ALA HB* . 16211 1 786 . 1 1 96 96 ALA HB2 H 1 1.136 0.010 . 1 . . . . 96 ALA HB* . 16211 1 787 . 1 1 96 96 ALA HB3 H 1 1.136 0.010 . 1 . . . . 96 ALA HB* . 16211 1 788 . 1 1 96 96 ALA N N 15 122.992 0.010 . 1 . . . . 96 ALA N . 16211 1 789 . 1 1 97 97 HIS H H 1 8.197 0.010 . 1 . . . . 97 HIS HN . 16211 1 790 . 1 1 97 97 HIS HA H 1 4.463 0.010 . 1 . . . . 97 HIS HA . 16211 1 791 . 1 1 97 97 HIS HB2 H 1 2.873 0.010 . 2 . . . . 97 HIS HB2 . 16211 1 792 . 1 1 97 97 HIS HB3 H 1 2.874 0.010 . 2 . . . . 97 HIS HB3 . 16211 1 793 . 1 1 97 97 HIS N N 15 118.058 0.010 . 1 . . . . 97 HIS N . 16211 1 794 . 1 1 102 102 HIS H H 1 8.061 0.010 . 1 . . . . 102 HIS HN . 16211 1 795 . 1 1 102 102 HIS HA H 1 4.302 0.010 . 1 . . . . 102 HIS HA . 16211 1 796 . 1 1 102 102 HIS HB2 H 1 2.920 0.010 . 2 . . . . 102 HIS HB2 . 16211 1 797 . 1 1 102 102 HIS HB3 H 1 3.047 0.010 . 2 . . . . 102 HIS HB3 . 16211 1 798 . 1 1 102 102 HIS N N 15 125.487 0.010 . 1 . . . . 102 HIS N . 16211 1 stop_ save_