data_15246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15246 _Entry.Title ; chemical shift assignments of PA4090 from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-13 _Entry.Accession_date 2007-05-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'chemical shift assignments of PA4090 from Pseudomonas aeruginosa' _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 Xuanjun Ai . . . 15246 2 Anthony Semesi . . . 15246 3 Adelinda Yee . . . 15246 4 Cheryl Arrowsmith . H. . 15246 5 Shawn Li . S.C. . 15246 6 Wing-Yiu Choy . . . 15246 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' 'Ontario Centre for Structural Proteomics' . 15246 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alfa-Herlix/Beta-sheet . 15246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 15246 '15N chemical shifts' 88 15246 '1H chemical shifts' 496 15246 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 2 . . 2010-05-26 2007-05-13 update BMRB 'entity name update' 15246 1 . . 2009-10-09 2007-05-13 original author 'original release' 15246 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JPI 'BMRB Entry Tracking System' 15246 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15246 _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 'chemical shift assignments of PA4090 from Pseudomonas aeruginosa' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Genet.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xuanjun Ai . . . 15246 1 2 Anthony Semesi . . . 15246 1 3 Adelinda Yee . . . 15246 1 4 Cheryl Arrowsmith . H. . 15246 1 5 Wing-Yiu Choy . . . 15246 1 6 Shawn Li . S.C. . 15246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15246 _Assembly.ID 1 _Assembly.Name PA4090 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _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 PA4090 1 $entity A . yes native no no . . . 15246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15246 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PA4090 _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 ; MGTSHHHHHHSSGRENLYFQ GHMFRSTSHVRTESAARYVN RLCKHWGHKFEVELTPERGF IDFGDSNCELLAHPDHVLMI LNSPDEDSLAHMQNVVADHL QRMANSESLEIAWQPAES ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11021.414 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JPI . "Chemical Shift Assignments Of Pa4090 From Pseudomonas Aeruginosa" . . . . . 100.00 118 100.00 100.00 2.64e-81 . . . . 15246 1 2 no DBJ BAK92112 . "hypothetical protein NCGM2_5291 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 3 no DBJ BAP19994 . "hypothetical protein NCGM1900_0870 [Pseudomonas aeruginosa]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 4 no DBJ BAP48856 . "hypothetical protein NCGM1984_0862 [Pseudomonas aeruginosa]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 5 no DBJ BAQ37677 . "hypothetical protein PA257_1057 [Pseudomonas aeruginosa]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 6 no DBJ BAR65783 . "hypothetical protein PA8380_09340 [Pseudomonas aeruginosa]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 7 no EMBL CAW25613 . "hypothetical protein PLES_08861 [Pseudomonas aeruginosa LESB58]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 8 no EMBL CCQ83823 . "hypothetical protein PA18A_396 [Pseudomonas aeruginosa 18A]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 9 no EMBL CDH69171 . "hypothetical protein P38_0863 [Pseudomonas aeruginosa MH38]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 10 no EMBL CDH75295 . "hypothetical protein PAMH27_0876 [Pseudomonas aeruginosa MH27]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 11 no EMBL CDI92571 . "cytochrome b561 [Pseudomonas aeruginosa PA38182]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 12 no GB AAG07477 . "hypothetical protein PA4090 [Pseudomonas aeruginosa PAO1]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 13 no GB AAT49433 . "PA4090, partial [synthetic construct]" . . . . . 81.36 97 98.96 100.00 1.53e-63 . . . . 15246 1 14 no GB ABJ13362 . "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 15 no GB AEO73337 . "hypothetical protein PAM18_0850 [Pseudomonas aeruginosa M18]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 16 no GB AFM63068 . "hypothetical protein PADK2_03875 [Pseudomonas aeruginosa DK2]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 17 no REF NP_252779 . "hypothetical protein PA4090 [Pseudomonas aeruginosa PAO1]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 18 no REF WP_003093387 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 81.36 96 100.00 100.00 3.75e-64 . . . . 15246 1 19 no REF WP_023085627 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 81.36 96 98.96 98.96 8.30e-63 . . . . 15246 1 20 no REF WP_024915557 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 80.51 96 100.00 100.00 1.82e-63 . . . . 15246 1 21 no REF WP_033936217 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 81.36 96 98.96 98.96 8.30e-63 . . . . 15246 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 . 15246 1 2 . GLY . 15246 1 3 . THR . 15246 1 4 . SER . 15246 1 5 . HIS . 15246 1 6 . HIS . 15246 1 7 . HIS . 15246 1 8 . HIS . 15246 1 9 . HIS . 15246 1 10 . HIS . 15246 1 11 . SER . 15246 1 12 . SER . 15246 1 13 . GLY . 15246 1 14 . ARG . 15246 1 15 . GLU . 15246 1 16 . ASN . 15246 1 17 . LEU . 15246 1 18 . TYR . 15246 1 19 . PHE . 15246 1 20 . GLN . 15246 1 21 . GLY . 15246 1 22 . HIS . 15246 1 23 . MET . 15246 1 24 . PHE . 15246 1 25 . ARG . 15246 1 26 . SER . 15246 1 27 . THR . 15246 1 28 . SER . 15246 1 29 . HIS . 15246 1 30 . VAL . 15246 1 31 . ARG . 15246 1 32 . THR . 15246 1 33 . GLU . 15246 1 34 . SER . 15246 1 35 . ALA . 15246 1 36 . ALA . 15246 1 37 . ARG . 15246 1 38 . TYR . 15246 1 39 . VAL . 15246 1 40 . ASN . 15246 1 41 . ARG . 15246 1 42 . LEU . 15246 1 43 . CYS . 15246 1 44 . LYS . 15246 1 45 . HIS . 15246 1 46 . TRP . 15246 1 47 . GLY . 15246 1 48 . HIS . 15246 1 49 . LYS . 15246 1 50 . PHE . 15246 1 51 . GLU . 15246 1 52 . VAL . 15246 1 53 . GLU . 15246 1 54 . LEU . 15246 1 55 . THR . 15246 1 56 . PRO . 15246 1 57 . GLU . 15246 1 58 . ARG . 15246 1 59 . GLY . 15246 1 60 . PHE . 15246 1 61 . ILE . 15246 1 62 . ASP . 15246 1 63 . PHE . 15246 1 64 . GLY . 15246 1 65 . ASP . 15246 1 66 . SER . 15246 1 67 . ASN . 15246 1 68 . CYS . 15246 1 69 . GLU . 15246 1 70 . LEU . 15246 1 71 . LEU . 15246 1 72 . ALA . 15246 1 73 . HIS . 15246 1 74 . PRO . 15246 1 75 . ASP . 15246 1 76 . HIS . 15246 1 77 . VAL . 15246 1 78 . LEU . 15246 1 79 . MET . 15246 1 80 . ILE . 15246 1 81 . LEU . 15246 1 82 . ASN . 15246 1 83 . SER . 15246 1 84 . PRO . 15246 1 85 . ASP . 15246 1 86 . GLU . 15246 1 87 . ASP . 15246 1 88 . SER . 15246 1 89 . LEU . 15246 1 90 . ALA . 15246 1 91 . HIS . 15246 1 92 . MET . 15246 1 93 . GLN . 15246 1 94 . ASN . 15246 1 95 . VAL . 15246 1 96 . VAL . 15246 1 97 . ALA . 15246 1 98 . ASP . 15246 1 99 . HIS . 15246 1 100 . LEU . 15246 1 101 . GLN . 15246 1 102 . ARG . 15246 1 103 . MET . 15246 1 104 . ALA . 15246 1 105 . ASN . 15246 1 106 . SER . 15246 1 107 . GLU . 15246 1 108 . SER . 15246 1 109 . LEU . 15246 1 110 . GLU . 15246 1 111 . ILE . 15246 1 112 . ALA . 15246 1 113 . TRP . 15246 1 114 . GLN . 15246 1 115 . PRO . 15246 1 116 . ALA . 15246 1 117 . GLU . 15246 1 118 . SER . 15246 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 15246 1 . GLY 2 2 15246 1 . THR 3 3 15246 1 . SER 4 4 15246 1 . HIS 5 5 15246 1 . HIS 6 6 15246 1 . HIS 7 7 15246 1 . HIS 8 8 15246 1 . HIS 9 9 15246 1 . HIS 10 10 15246 1 . SER 11 11 15246 1 . SER 12 12 15246 1 . GLY 13 13 15246 1 . ARG 14 14 15246 1 . GLU 15 15 15246 1 . ASN 16 16 15246 1 . LEU 17 17 15246 1 . TYR 18 18 15246 1 . PHE 19 19 15246 1 . GLN 20 20 15246 1 . GLY 21 21 15246 1 . HIS 22 22 15246 1 . MET 23 23 15246 1 . PHE 24 24 15246 1 . ARG 25 25 15246 1 . SER 26 26 15246 1 . THR 27 27 15246 1 . SER 28 28 15246 1 . HIS 29 29 15246 1 . VAL 30 30 15246 1 . ARG 31 31 15246 1 . THR 32 32 15246 1 . GLU 33 33 15246 1 . SER 34 34 15246 1 . ALA 35 35 15246 1 . ALA 36 36 15246 1 . ARG 37 37 15246 1 . TYR 38 38 15246 1 . VAL 39 39 15246 1 . ASN 40 40 15246 1 . ARG 41 41 15246 1 . LEU 42 42 15246 1 . CYS 43 43 15246 1 . LYS 44 44 15246 1 . HIS 45 45 15246 1 . TRP 46 46 15246 1 . GLY 47 47 15246 1 . HIS 48 48 15246 1 . LYS 49 49 15246 1 . PHE 50 50 15246 1 . GLU 51 51 15246 1 . VAL 52 52 15246 1 . GLU 53 53 15246 1 . LEU 54 54 15246 1 . THR 55 55 15246 1 . PRO 56 56 15246 1 . GLU 57 57 15246 1 . ARG 58 58 15246 1 . GLY 59 59 15246 1 . PHE 60 60 15246 1 . ILE 61 61 15246 1 . ASP 62 62 15246 1 . PHE 63 63 15246 1 . GLY 64 64 15246 1 . ASP 65 65 15246 1 . SER 66 66 15246 1 . ASN 67 67 15246 1 . CYS 68 68 15246 1 . GLU 69 69 15246 1 . LEU 70 70 15246 1 . LEU 71 71 15246 1 . ALA 72 72 15246 1 . HIS 73 73 15246 1 . PRO 74 74 15246 1 . ASP 75 75 15246 1 . HIS 76 76 15246 1 . VAL 77 77 15246 1 . LEU 78 78 15246 1 . MET 79 79 15246 1 . ILE 80 80 15246 1 . LEU 81 81 15246 1 . ASN 82 82 15246 1 . SER 83 83 15246 1 . PRO 84 84 15246 1 . ASP 85 85 15246 1 . GLU 86 86 15246 1 . ASP 87 87 15246 1 . SER 88 88 15246 1 . LEU 89 89 15246 1 . ALA 90 90 15246 1 . HIS 91 91 15246 1 . MET 92 92 15246 1 . GLN 93 93 15246 1 . ASN 94 94 15246 1 . VAL 95 95 15246 1 . VAL 96 96 15246 1 . ALA 97 97 15246 1 . ASP 98 98 15246 1 . HIS 99 99 15246 1 . LEU 100 100 15246 1 . GLN 101 101 15246 1 . ARG 102 102 15246 1 . MET 103 103 15246 1 . ALA 104 104 15246 1 . ASN 105 105 15246 1 . SER 106 106 15246 1 . GLU 107 107 15246 1 . SER 108 108 15246 1 . LEU 109 109 15246 1 . GLU 110 110 15246 1 . ILE 111 111 15246 1 . ALA 112 112 15246 1 . TRP 113 113 15246 1 . GLN 114 114 15246 1 . PRO 115 115 15246 1 . ALA 116 116 15246 1 . GLU 117 117 15246 1 . SER 118 118 15246 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 15246 _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 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 15246 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 15246 _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 . . . . . . 15246 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15246 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.0 . . mM . . . . 15246 1 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 15246 1 3 NaCl 'natural abundance' . . . . . . 450 . . mM . . . . 15246 1 4 Zn2+ 'natural abundance' . . . . . . 10 . . uM . . . . 15246 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15246 1 6 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 15246 1 7 'inhibitor mixture' 'natural abundance' . . . . . . 1x . . w/v . . . . 15246 1 8 benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 15246 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15246 1 10 D2O . . . . . . . 10 . . % . . . . 15246 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 15246 _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 pH 6.5 . pH 15246 1 pressure 1 . atm 15246 1 temperature 298 . K 15246 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15246 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15246 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 15246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15246 _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 Varian INOVA . 600 . . . 15246 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 15246 _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 . . . . . . . . . . . . . . . . 15246 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15246 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 15246 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15246 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15246 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15246 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 15246 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 15246 _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 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.20 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15246 1 2 '2D 1H-13C HSQC' . . . 15246 1 3 '3D HNCACB' . . . 15246 1 4 '3D CBCA(CO)NH' . . . 15246 1 5 '3D C(CO)NH' . . . 15246 1 6 '3D HNCO' . . . 15246 1 7 '3D HNHA' . . . 15246 1 8 '3D H(CCO)NH' . . . 15246 1 9 '3D HCCH-TOCSY' . . . 15246 1 10 '3D 1H-15N NOESY' . . . 15246 1 11 '3D 1H-13C NOESY' . . . 15246 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 $NMRView . . 15246 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 23 23 MET HA H 1 4.564 0.006 . 1 . . . . 1 M HA . 15246 1 2 . 1 1 23 23 MET HB2 H 1 1.890 0.006 . 2 . . . . 1 M HB1 . 15246 1 3 . 1 1 23 23 MET HB3 H 1 1.890 0.006 . 2 . . . . 1 M HB2 . 15246 1 4 . 1 1 23 23 MET HG2 H 1 2.363 0.006 . 2 . . . . 1 M HG1 . 15246 1 5 . 1 1 23 23 MET HG3 H 1 2.363 0.006 . 2 . . . . 1 M HG2 . 15246 1 6 . 1 1 23 23 MET C C 13 175.320 0.25 . 1 . . . . 1 M C . 15246 1 7 . 1 1 23 23 MET CA C 13 54.705 0.25 . 1 . . . . 1 M CA . 15246 1 8 . 1 1 23 23 MET CB C 13 34.498 0.25 . 1 . . . . 1 M CB . 15246 1 9 . 1 1 23 23 MET CG C 13 32.618 0.25 . 1 . . . . 1 M CG . 15246 1 10 . 1 1 23 23 MET N N 15 120.277 0.20 . 1 . . . . 1 M N . 15246 1 11 . 1 1 24 24 PHE H H 1 8.940 0.006 . 1 . . . . 2 F HN . 15246 1 12 . 1 1 24 24 PHE HA H 1 4.540 0.006 . 1 . . . . 2 F HA . 15246 1 13 . 1 1 24 24 PHE HB2 H 1 2.910 0.006 . 2 . . . . 2 F HB1 . 15246 1 14 . 1 1 24 24 PHE HB3 H 1 2.747 0.006 . 2 . . . . 2 F HB2 . 15246 1 15 . 1 1 24 24 PHE HD1 H 1 7.123 0.006 . 3 . . . . 2 F HD1 . 15246 1 16 . 1 1 24 24 PHE HE1 H 1 7.410 0.006 . 3 . . . . 2 F HE1 . 15246 1 17 . 1 1 24 24 PHE C C 13 173.640 0.25 . 1 . . . . 2 F C . 15246 1 18 . 1 1 24 24 PHE CA C 13 58.262 0.25 . 1 . . . . 2 F CA . 15246 1 19 . 1 1 24 24 PHE CB C 13 40.639 0.25 . 1 . . . . 2 F CB . 15246 1 20 . 1 1 24 24 PHE N N 15 121.410 0.20 . 1 . . . . 2 F N . 15246 1 21 . 1 1 25 25 ARG H H 1 8.559 0.006 . 1 . . . . 3 R HN . 15246 1 22 . 1 1 25 25 ARG HA H 1 5.932 0.006 . 1 . . . . 3 R HA . 15246 1 23 . 1 1 25 25 ARG HB2 H 1 1.814 0.006 . 2 . . . . 3 R HB1 . 15246 1 24 . 1 1 25 25 ARG HB3 H 1 1.666 0.006 . 2 . . . . 3 R HB2 . 15246 1 25 . 1 1 25 25 ARG HD2 H 1 3.143 0.006 . 2 . . . . 3 R HD1 . 15246 1 26 . 1 1 25 25 ARG HD3 H 1 3.067 0.006 . 2 . . . . 3 R HD2 . 15246 1 27 . 1 1 25 25 ARG HG2 H 1 1.714 0.006 . 2 . . . . 3 R HG1 . 15246 1 28 . 1 1 25 25 ARG HG3 H 1 1.436 0.006 . 2 . . . . 3 R HG2 . 15246 1 29 . 1 1 25 25 ARG C C 13 175.870 0.25 . 1 . . . . 3 R C . 15246 1 30 . 1 1 25 25 ARG CA C 13 53.965 0.25 . 1 . . . . 3 R CA . 15246 1 31 . 1 1 25 25 ARG CB C 13 34.959 0.25 . 1 . . . . 3 R CB . 15246 1 32 . 1 1 25 25 ARG CD C 13 44.058 0.25 . 1 . . . . 3 R CD . 15246 1 33 . 1 1 25 25 ARG CG C 13 27.327 0.25 . 1 . . . . 3 R CG . 15246 1 34 . 1 1 25 25 ARG N N 15 123.288 0.20 . 1 . . . . 3 R N . 15246 1 35 . 1 1 26 26 SER H H 1 9.096 0.006 . 1 . . . . 4 S HN . 15246 1 36 . 1 1 26 26 SER HA H 1 5.306 0.006 . 1 . . . . 4 S HA . 15246 1 37 . 1 1 26 26 SER HB2 H 1 3.939 0.006 . 2 . . . . 4 S HB1 . 15246 1 38 . 1 1 26 26 SER HB3 H 1 3.741 0.006 . 2 . . . . 4 S HB2 . 15246 1 39 . 1 1 26 26 SER C C 13 173.230 0.25 . 1 . . . . 4 S C . 15246 1 40 . 1 1 26 26 SER CA C 13 56.908 0.25 . 1 . . . . 4 S CA . 15246 1 41 . 1 1 26 26 SER CB C 13 66.846 0.25 . 1 . . . . 4 S CB . 15246 1 42 . 1 1 26 26 SER N N 15 120.152 0.20 . 1 . . . . 4 S N . 15246 1 43 . 1 1 27 27 THR H H 1 8.889 0.006 . 1 . . . . 5 T HN . 15246 1 44 . 1 1 27 27 THR HA H 1 6.172 0.006 . 1 . . . . 5 T HA . 15246 1 45 . 1 1 27 27 THR HB H 1 4.252 0.006 . 1 . . . . 5 T HB . 15246 1 46 . 1 1 27 27 THR HG21 H 1 1.321 0.006 . 1 . . . . 5 T HG21 . 15246 1 47 . 1 1 27 27 THR HG22 H 1 1.321 0.006 . 1 . . . . 5 T HG21 . 15246 1 48 . 1 1 27 27 THR HG23 H 1 1.321 0.006 . 1 . . . . 5 T HG21 . 15246 1 49 . 1 1 27 27 THR C C 13 173.740 0.25 . 1 . . . . 5 T C . 15246 1 50 . 1 1 27 27 THR CA C 13 59.621 0.25 . 1 . . . . 5 T CA . 15246 1 51 . 1 1 27 27 THR CB C 13 75.444 0.25 . 1 . . . . 5 T CB . 15246 1 52 . 1 1 27 27 THR CG2 C 13 21.767 0.25 . 1 . . . . 5 T CG2 . 15246 1 53 . 1 1 27 27 THR N N 15 112.196 0.20 . 1 . . . . 5 T N . 15246 1 54 . 1 1 28 28 SER H H 1 8.945 0.006 . 1 . . . . 6 S HN . 15246 1 55 . 1 1 28 28 SER HA H 1 4.643 0.006 . 1 . . . . 6 S HA . 15246 1 56 . 1 1 28 28 SER HB2 H 1 2.265 0.006 . 2 . . . . 6 S HB1 . 15246 1 57 . 1 1 28 28 SER HB3 H 1 2.035 0.006 . 2 . . . . 6 S HB2 . 15246 1 58 . 1 1 28 28 SER C C 13 173.400 0.25 . 1 . . . . 6 S C . 15246 1 59 . 1 1 28 28 SER CA C 13 57.727 0.25 . 1 . . . . 6 S CA . 15246 1 60 . 1 1 28 28 SER CB C 13 65.115 0.25 . 1 . . . . 6 S CB . 15246 1 61 . 1 1 28 28 SER N N 15 115.468 0.20 . 1 . . . . 6 S N . 15246 1 62 . 1 1 29 29 HIS H H 1 8.713 0.006 . 1 . . . . 7 H HN . 15246 1 63 . 1 1 29 29 HIS HA H 1 5.046 0.006 . 1 . . . . 7 H HA . 15246 1 64 . 1 1 29 29 HIS HB2 H 1 3.033 0.006 . 2 . . . . 7 H HB1 . 15246 1 65 . 1 1 29 29 HIS HB3 H 1 2.823 0.006 . 2 . . . . 7 H HB2 . 15246 1 66 . 1 1 29 29 HIS HD2 H 1 6.423 0.006 . 1 . . . . 7 H HD2 . 15246 1 67 . 1 1 29 29 HIS C C 13 175.330 0.25 . 1 . . . . 7 H C . 15246 1 68 . 1 1 29 29 HIS CA C 13 55.507 0.25 . 1 . . . . 7 H CA . 15246 1 69 . 1 1 29 29 HIS CB C 13 31.214 0.25 . 1 . . . . 7 H CB . 15246 1 70 . 1 1 29 29 HIS N N 15 130.131 0.20 . 1 . . . . 7 H N . 15246 1 71 . 1 1 30 30 VAL H H 1 9.318 0.006 . 1 . . . . 8 V HN . 15246 1 72 . 1 1 30 30 VAL HA H 1 4.431 0.006 . 1 . . . . 8 V HA . 15246 1 73 . 1 1 30 30 VAL HB H 1 2.152 0.006 . 1 . . . . 8 V HB . 15246 1 74 . 1 1 30 30 VAL HG11 H 1 0.804 0.006 . 2 . . . . 8 V HG11 . 15246 1 75 . 1 1 30 30 VAL HG12 H 1 0.804 0.006 . 2 . . . . 8 V HG11 . 15246 1 76 . 1 1 30 30 VAL HG13 H 1 0.804 0.006 . 2 . . . . 8 V HG11 . 15246 1 77 . 1 1 30 30 VAL HG21 H 1 0.804 0.006 . 2 . . . . 8 V HG21 . 15246 1 78 . 1 1 30 30 VAL HG22 H 1 0.804 0.006 . 2 . . . . 8 V HG21 . 15246 1 79 . 1 1 30 30 VAL HG23 H 1 0.804 0.006 . 2 . . . . 8 V HG21 . 15246 1 80 . 1 1 30 30 VAL C C 13 175.620 0.25 . 1 . . . . 8 V C . 15246 1 81 . 1 1 30 30 VAL CA C 13 61.142 0.25 . 1 . . . . 8 V CA . 15246 1 82 . 1 1 30 30 VAL CB C 13 33.063 0.25 . 1 . . . . 8 V CB . 15246 1 83 . 1 1 30 30 VAL CG1 C 13 22.265 0.25 . 1 . . . . 8 V CG1 . 15246 1 84 . 1 1 30 30 VAL CG2 C 13 22.265 0.25 . 1 . . . . 8 V CG2 . 15246 1 85 . 1 1 30 30 VAL N N 15 128.679 0.20 . 1 . . . . 8 V N . 15246 1 86 . 1 1 31 31 ARG H H 1 9.212 0.006 . 1 . . . . 9 R HN . 15246 1 87 . 1 1 31 31 ARG HA H 1 4.517 0.006 . 1 . . . . 9 R HA . 15246 1 88 . 1 1 31 31 ARG HB2 H 1 1.971 0.006 . 2 . . . . 9 R HB1 . 15246 1 89 . 1 1 31 31 ARG HB3 H 1 1.924 0.006 . 2 . . . . 9 R HB2 . 15246 1 90 . 1 1 31 31 ARG HD2 H 1 3.335 0.006 . 2 . . . . 9 R HD1 . 15246 1 91 . 1 1 31 31 ARG HD3 H 1 3.335 0.006 . 2 . . . . 9 R HD2 . 15246 1 92 . 1 1 31 31 ARG HG2 H 1 1.965 0.006 . 2 . . . . 9 R HG1 . 15246 1 93 . 1 1 31 31 ARG HG3 H 1 1.811 0.006 . 2 . . . . 9 R HG2 . 15246 1 94 . 1 1 31 31 ARG C C 13 176.520 0.25 . 1 . . . . 9 R C . 15246 1 95 . 1 1 31 31 ARG CA C 13 57.458 0.25 . 1 . . . . 9 R CA . 15246 1 96 . 1 1 31 31 ARG CB C 13 29.842 0.25 . 1 . . . . 9 R CB . 15246 1 97 . 1 1 31 31 ARG CD C 13 43.017 0.25 . 1 . . . . 9 R CD . 15246 1 98 . 1 1 31 31 ARG CG C 13 27.408 0.25 . 1 . . . . 9 R CG . 15246 1 99 . 1 1 31 31 ARG N N 15 128.640 0.20 . 1 . . . . 9 R N . 15246 1 100 . 1 1 32 32 THR H H 1 7.941 0.006 . 1 . . . . 10 T HN . 15246 1 101 . 1 1 32 32 THR HA H 1 4.627 0.006 . 1 . . . . 10 T HA . 15246 1 102 . 1 1 32 32 THR HG21 H 1 1.089 0.006 . 1 . . . . 10 T HG21 . 15246 1 103 . 1 1 32 32 THR HG22 H 1 1.089 0.006 . 1 . . . . 10 T HG21 . 15246 1 104 . 1 1 32 32 THR HG23 H 1 1.089 0.006 . 1 . . . . 10 T HG21 . 15246 1 105 . 1 1 32 32 THR C C 13 172.560 0.25 . 1 . . . . 10 T C . 15246 1 106 . 1 1 32 32 THR CA C 13 61.473 0.25 . 1 . . . . 10 T CA . 15246 1 107 . 1 1 32 32 THR CB C 13 66.191 0.25 . 1 . . . . 10 T CB . 15246 1 108 . 1 1 32 32 THR CG2 C 13 17.911 0.25 . 1 . . . . 10 T CG2 . 15246 1 109 . 1 1 32 32 THR N N 15 120.036 0.20 . 1 . . . . 10 T N . 15246 1 110 . 1 1 33 33 GLU H H 1 9.022 0.006 . 1 . . . . 11 E HN . 15246 1 111 . 1 1 33 33 GLU HA H 1 4.731 0.006 . 1 . . . . 11 E HA . 15246 1 112 . 1 1 33 33 GLU HB2 H 1 1.921 0.006 . 2 . . . . 11 E HB1 . 15246 1 113 . 1 1 33 33 GLU HB3 H 1 1.921 0.006 . 2 . . . . 11 E HB2 . 15246 1 114 . 1 1 33 33 GLU HG2 H 1 2.416 0.006 . 2 . . . . 11 E HG1 . 15246 1 115 . 1 1 33 33 GLU HG3 H 1 2.416 0.006 . 2 . . . . 11 E HG2 . 15246 1 116 . 1 1 33 33 GLU C C 13 177.810 0.25 . 1 . . . . 11 E C . 15246 1 117 . 1 1 33 33 GLU CA C 13 57.466 0.25 . 1 . . . . 11 E CA . 15246 1 118 . 1 1 33 33 GLU CB C 13 30.044 0.25 . 1 . . . . 11 E CB . 15246 1 119 . 1 1 33 33 GLU CG C 13 37.571 0.25 . 1 . . . . 11 E CG . 15246 1 120 . 1 1 33 33 GLU N N 15 126.859 0.20 . 1 . . . . 11 E N . 15246 1 121 . 1 1 34 34 SER H H 1 8.930 0.006 . 1 . . . . 12 S HN . 15246 1 122 . 1 1 34 34 SER HA H 1 4.795 0.006 . 1 . . . . 12 S HA . 15246 1 123 . 1 1 34 34 SER HB2 H 1 3.458 0.006 . 2 . . . . 12 S HB1 . 15246 1 124 . 1 1 34 34 SER HB3 H 1 3.123 0.006 . 2 . . . . 12 S HB2 . 15246 1 125 . 1 1 34 34 SER C C 13 173.360 0.25 . 1 . . . . 12 S C . 15246 1 126 . 1 1 34 34 SER CA C 13 56.842 0.25 . 1 . . . . 12 S CA . 15246 1 127 . 1 1 34 34 SER CB C 13 63.756 0.25 . 1 . . . . 12 S CB . 15246 1 128 . 1 1 34 34 SER N N 15 119.717 0.20 . 1 . . . . 12 S N . 15246 1 129 . 1 1 35 35 ALA H H 1 8.756 0.006 . 1 . . . . 13 A HN . 15246 1 130 . 1 1 35 35 ALA HA H 1 3.542 0.006 . 1 . . . . 13 A HA . 15246 1 131 . 1 1 35 35 ALA HB1 H 1 1.390 0.006 . 1 . . . . 13 A HB1 . 15246 1 132 . 1 1 35 35 ALA HB2 H 1 1.390 0.006 . 1 . . . . 13 A HB1 . 15246 1 133 . 1 1 35 35 ALA HB3 H 1 1.390 0.006 . 1 . . . . 13 A HB1 . 15246 1 134 . 1 1 35 35 ALA C C 13 178.560 0.25 . 1 . . . . 13 A C . 15246 1 135 . 1 1 35 35 ALA CA C 13 56.288 0.25 . 1 . . . . 13 A CA . 15246 1 136 . 1 1 35 35 ALA CB C 13 21.558 0.25 . 1 . . . . 13 A CB . 15246 1 137 . 1 1 35 35 ALA N N 15 121.856 0.20 . 1 . . . . 13 A N . 15246 1 138 . 1 1 36 36 ALA H H 1 8.442 0.006 . 1 . . . . 14 A HN . 15246 1 139 . 1 1 36 36 ALA HA H 1 3.691 0.006 . 1 . . . . 14 A HA . 15246 1 140 . 1 1 36 36 ALA HB1 H 1 1.356 0.006 . 1 . . . . 14 A HB1 . 15246 1 141 . 1 1 36 36 ALA HB2 H 1 1.356 0.006 . 1 . . . . 14 A HB1 . 15246 1 142 . 1 1 36 36 ALA HB3 H 1 1.356 0.006 . 1 . . . . 14 A HB1 . 15246 1 143 . 1 1 36 36 ALA C C 13 179.900 0.25 . 1 . . . . 14 A C . 15246 1 144 . 1 1 36 36 ALA CA C 13 55.754 0.25 . 1 . . . . 14 A CA . 15246 1 145 . 1 1 36 36 ALA CB C 13 17.368 0.25 . 1 . . . . 14 A CB . 15246 1 146 . 1 1 36 36 ALA N N 15 117.191 0.20 . 1 . . . . 14 A N . 15246 1 147 . 1 1 37 37 ARG H H 1 7.513 0.006 . 1 . . . . 15 R HN . 15246 1 148 . 1 1 37 37 ARG HA H 1 4.097 0.006 . 1 . . . . 15 R HA . 15246 1 149 . 1 1 37 37 ARG HB2 H 1 1.787 0.006 . 2 . . . . 15 R HB1 . 15246 1 150 . 1 1 37 37 ARG HB3 H 1 1.623 0.006 . 2 . . . . 15 R HB2 . 15246 1 151 . 1 1 37 37 ARG HD2 H 1 3.215 0.006 . 2 . . . . 15 R HD1 . 15246 1 152 . 1 1 37 37 ARG HD3 H 1 3.215 0.006 . 2 . . . . 15 R HD2 . 15246 1 153 . 1 1 37 37 ARG HG2 H 1 1.475 0.006 . 2 . . . . 15 R HG1 . 15246 1 154 . 1 1 37 37 ARG HG3 H 1 1.475 0.006 . 2 . . . . 15 R HG2 . 15246 1 155 . 1 1 37 37 ARG C C 13 178.720 0.25 . 1 . . . . 15 R C . 15246 1 156 . 1 1 37 37 ARG CA C 13 58.699 0.25 . 1 . . . . 15 R CA . 15246 1 157 . 1 1 37 37 ARG CB C 13 30.024 0.25 . 1 . . . . 15 R CB . 15246 1 158 . 1 1 37 37 ARG CD C 13 43.858 0.25 . 1 . . . . 15 R CD . 15246 1 159 . 1 1 37 37 ARG CG C 13 27.067 0.25 . 1 . . . . 15 R CG . 15246 1 160 . 1 1 37 37 ARG N N 15 118.952 0.20 . 1 . . . . 15 R N . 15246 1 161 . 1 1 38 38 TYR H H 1 7.632 0.006 . 1 . . . . 16 Y HN . 15246 1 162 . 1 1 38 38 TYR HA H 1 4.433 0.006 . 1 . . . . 16 Y HA . 15246 1 163 . 1 1 38 38 TYR HB2 H 1 3.004 0.006 . 2 . . . . 16 Y HB1 . 15246 1 164 . 1 1 38 38 TYR HB3 H 1 2.834 0.006 . 2 . . . . 16 Y HB2 . 15246 1 165 . 1 1 38 38 TYR HD1 H 1 6.600 0.006 . 3 . . . . 16 Y HD1 . 15246 1 166 . 1 1 38 38 TYR C C 13 178.110 0.25 . 1 . . . . 16 Y C . 15246 1 167 . 1 1 38 38 TYR CA C 13 58.473 0.25 . 1 . . . . 16 Y CA . 15246 1 168 . 1 1 38 38 TYR CB C 13 36.286 0.25 . 1 . . . . 16 Y CB . 15246 1 169 . 1 1 38 38 TYR N N 15 118.516 0.20 . 1 . . . . 16 Y N . 15246 1 170 . 1 1 39 39 VAL H H 1 8.680 0.006 . 1 . . . . 17 V HN . 15246 1 171 . 1 1 39 39 VAL HA H 1 3.491 0.006 . 1 . . . . 17 V HA . 15246 1 172 . 1 1 39 39 VAL HB H 1 2.107 0.006 . 1 . . . . 17 V HB . 15246 1 173 . 1 1 39 39 VAL HG11 H 1 0.983 0.006 . 2 . . . . 17 V HG11 . 15246 1 174 . 1 1 39 39 VAL HG12 H 1 0.983 0.006 . 2 . . . . 17 V HG11 . 15246 1 175 . 1 1 39 39 VAL HG13 H 1 0.983 0.006 . 2 . . . . 17 V HG11 . 15246 1 176 . 1 1 39 39 VAL HG21 H 1 0.900 0.006 . 2 . . . . 17 V HG21 . 15246 1 177 . 1 1 39 39 VAL HG22 H 1 0.900 0.006 . 2 . . . . 17 V HG21 . 15246 1 178 . 1 1 39 39 VAL HG23 H 1 0.900 0.006 . 2 . . . . 17 V HG21 . 15246 1 179 . 1 1 39 39 VAL C C 13 177.450 0.25 . 1 . . . . 17 V C . 15246 1 180 . 1 1 39 39 VAL CA C 13 68.093 0.25 . 1 . . . . 17 V CA . 15246 1 181 . 1 1 39 39 VAL CB C 13 31.943 0.25 . 1 . . . . 17 V CB . 15246 1 182 . 1 1 39 39 VAL CG1 C 13 24.369 0.25 . 1 . . . . 17 V CG1 . 15246 1 183 . 1 1 39 39 VAL CG2 C 13 21.770 0.25 . 1 . . . . 17 V CG2 . 15246 1 184 . 1 1 39 39 VAL N N 15 119.126 0.20 . 1 . . . . 17 V N . 15246 1 185 . 1 1 40 40 ASN H H 1 7.813 0.006 . 1 . . . . 18 N HN . 15246 1 186 . 1 1 40 40 ASN HA H 1 4.280 0.006 . 1 . . . . 18 N HA . 15246 1 187 . 1 1 40 40 ASN HB2 H 1 2.959 0.006 . 2 . . . . 18 N HB1 . 15246 1 188 . 1 1 40 40 ASN HB3 H 1 2.864 0.006 . 2 . . . . 18 N HB2 . 15246 1 189 . 1 1 40 40 ASN C C 13 177.190 0.25 . 1 . . . . 18 N C . 15246 1 190 . 1 1 40 40 ASN CA C 13 57.525 0.25 . 1 . . . . 18 N CA . 15246 1 191 . 1 1 40 40 ASN CB C 13 39.474 0.25 . 1 . . . . 18 N CB . 15246 1 192 . 1 1 40 40 ASN N N 15 118.013 0.20 . 1 . . . . 18 N N . 15246 1 193 . 1 1 41 41 ARG H H 1 8.425 0.006 . 1 . . . . 19 R HN . 15246 1 194 . 1 1 41 41 ARG HA H 1 4.010 0.006 . 1 . . . . 19 R HA . 15246 1 195 . 1 1 41 41 ARG HB2 H 1 2.200 0.006 . 2 . . . . 19 R HB1 . 15246 1 196 . 1 1 41 41 ARG HB3 H 1 1.939 0.006 . 2 . . . . 19 R HB2 . 15246 1 197 . 1 1 41 41 ARG HD2 H 1 3.334 0.006 . 2 . . . . 19 R HD1 . 15246 1 198 . 1 1 41 41 ARG HD3 H 1 3.334 0.006 . 2 . . . . 19 R HD2 . 15246 1 199 . 1 1 41 41 ARG HG2 H 1 2.131 0.006 . 2 . . . . 19 R HG1 . 15246 1 200 . 1 1 41 41 ARG HG3 H 1 1.921 0.006 . 2 . . . . 19 R HG2 . 15246 1 201 . 1 1 41 41 ARG C C 13 180.050 0.25 . 1 . . . . 19 R C . 15246 1 202 . 1 1 41 41 ARG CA C 13 59.734 0.25 . 1 . . . . 19 R CA . 15246 1 203 . 1 1 41 41 ARG CB C 13 30.877 0.25 . 1 . . . . 19 R CB . 15246 1 204 . 1 1 41 41 ARG CD C 13 43.973 0.25 . 1 . . . . 19 R CD . 15246 1 205 . 1 1 41 41 ARG CG C 13 27.935 0.25 . 1 . . . . 19 R CG . 15246 1 206 . 1 1 41 41 ARG N N 15 116.687 0.20 . 1 . . . . 19 R N . 15246 1 207 . 1 1 42 42 LEU H H 1 8.731 0.006 . 1 . . . . 20 L HN . 15246 1 208 . 1 1 42 42 LEU HA H 1 3.904 0.006 . 1 . . . . 20 L HA . 15246 1 209 . 1 1 42 42 LEU HB2 H 1 1.819 0.006 . 2 . . . . 20 L HB1 . 15246 1 210 . 1 1 42 42 LEU HB3 H 1 1.671 0.006 . 2 . . . . 20 L HB2 . 15246 1 211 . 1 1 42 42 LEU HD11 H 1 0.613 0.006 . 2 . . . . 20 L HD11 . 15246 1 212 . 1 1 42 42 LEU HD12 H 1 0.613 0.006 . 2 . . . . 20 L HD11 . 15246 1 213 . 1 1 42 42 LEU HD13 H 1 0.613 0.006 . 2 . . . . 20 L HD11 . 15246 1 214 . 1 1 42 42 LEU HD21 H 1 0.531 0.006 . 2 . . . . 20 L HD21 . 15246 1 215 . 1 1 42 42 LEU HD22 H 1 0.531 0.006 . 2 . . . . 20 L HD21 . 15246 1 216 . 1 1 42 42 LEU HD23 H 1 0.531 0.006 . 2 . . . . 20 L HD21 . 15246 1 217 . 1 1 42 42 LEU HG H 1 1.656 0.006 . 1 . . . . 20 L HG . 15246 1 218 . 1 1 42 42 LEU C C 13 178.690 0.25 . 1 . . . . 20 L C . 15246 1 219 . 1 1 42 42 LEU CA C 13 58.238 0.25 . 1 . . . . 20 L CA . 15246 1 220 . 1 1 42 42 LEU CB C 13 41.659 0.25 . 1 . . . . 20 L CB . 15246 1 221 . 1 1 42 42 LEU CD1 C 13 25.085 0.25 . 1 . . . . 20 L CD1 . 15246 1 222 . 1 1 42 42 LEU CD2 C 13 24.028 0.25 . 1 . . . . 20 L CD2 . 15246 1 223 . 1 1 42 42 LEU CG C 13 27.053 0.25 . 1 . . . . 20 L CG . 15246 1 224 . 1 1 42 42 LEU N N 15 120.849 0.20 . 1 . . . . 20 L N . 15246 1 225 . 1 1 43 43 CYS H H 1 8.241 0.006 . 1 . . . . 21 C HN . 15246 1 226 . 1 1 43 43 CYS HA H 1 4.268 0.006 . 1 . . . . 21 C HA . 15246 1 227 . 1 1 43 43 CYS HB2 H 1 3.179 0.006 . 2 . . . . 21 C HB1 . 15246 1 228 . 1 1 43 43 CYS HB3 H 1 2.770 0.006 . 2 . . . . 21 C HB2 . 15246 1 229 . 1 1 43 43 CYS C C 13 177.530 0.25 . 1 . . . . 21 C C . 15246 1 230 . 1 1 43 43 CYS CA C 13 65.374 0.25 . 1 . . . . 21 C CA . 15246 1 231 . 1 1 43 43 CYS CB C 13 27.962 0.25 . 1 . . . . 21 C CB . 15246 1 232 . 1 1 43 43 CYS N N 15 115.952 0.20 . 1 . . . . 21 C N . 15246 1 233 . 1 1 44 44 LYS H H 1 8.364 0.006 . 1 . . . . 22 K HN . 15246 1 234 . 1 1 44 44 LYS HA H 1 4.091 0.006 . 1 . . . . 22 K HA . 15246 1 235 . 1 1 44 44 LYS HB2 H 1 1.930 0.006 . 2 . . . . 22 K HB1 . 15246 1 236 . 1 1 44 44 LYS HB3 H 1 1.930 0.006 . 2 . . . . 22 K HB2 . 15246 1 237 . 1 1 44 44 LYS HD2 H 1 1.687 0.006 . 2 . . . . 22 K HD1 . 15246 1 238 . 1 1 44 44 LYS HD3 H 1 1.687 0.006 . 2 . . . . 22 K HD2 . 15246 1 239 . 1 1 44 44 LYS HE2 H 1 2.994 0.006 . 2 . . . . 22 K HE1 . 15246 1 240 . 1 1 44 44 LYS HE3 H 1 2.994 0.006 . 2 . . . . 22 K HE2 . 15246 1 241 . 1 1 44 44 LYS HG2 H 1 1.591 0.006 . 2 . . . . 22 K HG1 . 15246 1 242 . 1 1 44 44 LYS HG3 H 1 1.487 0.006 . 2 . . . . 22 K HG2 . 15246 1 243 . 1 1 44 44 LYS C C 13 179.020 0.25 . 1 . . . . 22 K C . 15246 1 244 . 1 1 44 44 LYS CA C 13 59.004 0.25 . 1 . . . . 22 K CA . 15246 1 245 . 1 1 44 44 LYS CB C 13 31.921 0.25 . 1 . . . . 22 K CB . 15246 1 246 . 1 1 44 44 LYS CD C 13 28.841 0.25 . 1 . . . . 22 K CD . 15246 1 247 . 1 1 44 44 LYS CE C 13 42.399 0.25 . 1 . . . . 22 K CE . 15246 1 248 . 1 1 44 44 LYS CG C 13 25.488 0.25 . 1 . . . . 22 K CG . 15246 1 249 . 1 1 44 44 LYS N N 15 119.823 0.20 . 1 . . . . 22 K N . 15246 1 250 . 1 1 45 45 HIS H H 1 8.036 0.006 . 1 . . . . 23 H HN . 15246 1 251 . 1 1 45 45 HIS HA H 1 4.408 0.006 . 1 . . . . 23 H HA . 15246 1 252 . 1 1 45 45 HIS HB2 H 1 3.100 0.006 . 2 . . . . 23 H HB1 . 15246 1 253 . 1 1 45 45 HIS HB3 H 1 3.100 0.006 . 2 . . . . 23 H HB2 . 15246 1 254 . 1 1 45 45 HIS HD2 H 1 7.206 0.006 . 1 . . . . 23 H HD2 . 15246 1 255 . 1 1 45 45 HIS C C 13 177.870 0.25 . 1 . . . . 23 H C . 15246 1 256 . 1 1 45 45 HIS CA C 13 60.404 0.25 . 1 . . . . 23 H CA . 15246 1 257 . 1 1 45 45 HIS CB C 13 30.954 0.25 . 1 . . . . 23 H CB . 15246 1 258 . 1 1 45 45 HIS N N 15 118.729 0.20 . 1 . . . . 23 H N . 15246 1 259 . 1 1 46 46 TRP H H 1 8.426 0.006 . 1 . . . . 24 W HN . 15246 1 260 . 1 1 46 46 TRP HA H 1 4.903 0.006 . 1 . . . . 24 W HA . 15246 1 261 . 1 1 46 46 TRP HB2 H 1 3.357 0.006 . 2 . . . . 24 W HB1 . 15246 1 262 . 1 1 46 46 TRP HB3 H 1 3.237 0.006 . 2 . . . . 24 W HB2 . 15246 1 263 . 1 1 46 46 TRP HD1 H 1 7.527 0.006 . 1 . . . . 24 W HD1 . 15246 1 264 . 1 1 46 46 TRP HE1 H 1 10.009 0.006 . 1 . . . . 24 W HE1 . 15246 1 265 . 1 1 46 46 TRP C C 13 177.900 0.25 . 1 . . . . 24 W C . 15246 1 266 . 1 1 46 46 TRP CA C 13 58.973 0.25 . 1 . . . . 24 W CA . 15246 1 267 . 1 1 46 46 TRP CB C 13 29.328 0.25 . 1 . . . . 24 W CB . 15246 1 268 . 1 1 46 46 TRP N N 15 117.297 0.20 . 1 . . . . 24 W N . 15246 1 269 . 1 1 46 46 TRP NE1 N 15 128.860 0.20 . 1 . . . . 24 W NE1 . 15246 1 270 . 1 1 47 47 GLY H H 1 8.254 0.006 . 1 . . . . 25 G HN . 15246 1 271 . 1 1 47 47 GLY HA2 H 1 4.362 0.006 . 2 . . . . 25 G HA1 . 15246 1 272 . 1 1 47 47 GLY HA3 H 1 3.936 0.006 . 2 . . . . 25 G HA2 . 15246 1 273 . 1 1 47 47 GLY CA C 13 46.812 0.25 . 1 . . . . 25 G CA . 15246 1 274 . 1 1 47 47 GLY N N 15 108.683 0.20 . 1 . . . . 25 G N . 15246 1 275 . 1 1 48 48 HIS C C 13 176.030 0.25 . 1 . . . . 26 H C . 15246 1 276 . 1 1 48 48 HIS CA C 13 58.358 0.25 . 1 . . . . 26 H CA . 15246 1 277 . 1 1 48 48 HIS CB C 13 30.438 0.25 . 1 . . . . 26 H CB . 15246 1 278 . 1 1 49 49 LYS H H 1 7.544 0.006 . 1 . . . . 27 K HN . 15246 1 279 . 1 1 49 49 LYS HA H 1 4.236 0.006 . 1 . . . . 27 K HA . 15246 1 280 . 1 1 49 49 LYS HB2 H 1 1.191 0.006 . 2 . . . . 27 K HB1 . 15246 1 281 . 1 1 49 49 LYS HB3 H 1 1.017 0.006 . 2 . . . . 27 K HB2 . 15246 1 282 . 1 1 49 49 LYS HD2 H 1 1.514 0.006 . 2 . . . . 27 K HD1 . 15246 1 283 . 1 1 49 49 LYS HD3 H 1 1.514 0.006 . 2 . . . . 27 K HD2 . 15246 1 284 . 1 1 49 49 LYS HE2 H 1 2.892 0.006 . 2 . . . . 27 K HE1 . 15246 1 285 . 1 1 49 49 LYS HE3 H 1 2.892 0.006 . 2 . . . . 27 K HE2 . 15246 1 286 . 1 1 49 49 LYS HG2 H 1 0.922 0.006 . 2 . . . . 27 K HG1 . 15246 1 287 . 1 1 49 49 LYS HG3 H 1 0.723 0.006 . 2 . . . . 27 K HG2 . 15246 1 288 . 1 1 49 49 LYS C C 13 174.880 0.25 . 1 . . . . 27 K C . 15246 1 289 . 1 1 49 49 LYS CA C 13 56.572 0.25 . 1 . . . . 27 K CA . 15246 1 290 . 1 1 49 49 LYS CB C 13 35.793 0.25 . 1 . . . . 27 K CB . 15246 1 291 . 1 1 49 49 LYS CD C 13 29.137 0.25 . 1 . . . . 27 K CD . 15246 1 292 . 1 1 49 49 LYS CE C 13 42.108 0.25 . 1 . . . . 27 K CE . 15246 1 293 . 1 1 49 49 LYS CG C 13 24.589 0.25 . 1 . . . . 27 K CG . 15246 1 294 . 1 1 49 49 LYS N N 15 117.278 0.20 . 1 . . . . 27 K N . 15246 1 295 . 1 1 50 50 PHE H H 1 8.178 0.006 . 1 . . . . 28 F HN . 15246 1 296 . 1 1 50 50 PHE HA H 1 5.016 0.006 . 1 . . . . 28 F HA . 15246 1 297 . 1 1 50 50 PHE HB2 H 1 3.129 0.006 . 2 . . . . 28 F HB1 . 15246 1 298 . 1 1 50 50 PHE HB3 H 1 2.091 0.006 . 2 . . . . 28 F HB2 . 15246 1 299 . 1 1 50 50 PHE HD1 H 1 7.212 0.006 . 3 . . . . 28 F HD1 . 15246 1 300 . 1 1 50 50 PHE HE1 H 1 7.353 0.006 . 3 . . . . 28 F HE1 . 15246 1 301 . 1 1 50 50 PHE C C 13 174.190 0.25 . 1 . . . . 28 F C . 15246 1 302 . 1 1 50 50 PHE CA C 13 55.756 0.25 . 1 . . . . 28 F CA . 15246 1 303 . 1 1 50 50 PHE CB C 13 41.140 0.25 . 1 . . . . 28 F CB . 15246 1 304 . 1 1 50 50 PHE N N 15 118.846 0.20 . 1 . . . . 28 F N . 15246 1 305 . 1 1 51 51 GLU H H 1 7.812 0.006 . 1 . . . . 29 E HN . 15246 1 306 . 1 1 51 51 GLU HA H 1 4.449 0.006 . 1 . . . . 29 E HA . 15246 1 307 . 1 1 51 51 GLU HB2 H 1 2.148 0.006 . 2 . . . . 29 E HB1 . 15246 1 308 . 1 1 51 51 GLU HB3 H 1 2.091 0.006 . 2 . . . . 29 E HB2 . 15246 1 309 . 1 1 51 51 GLU HG2 H 1 2.393 0.006 . 2 . . . . 29 E HG1 . 15246 1 310 . 1 1 51 51 GLU HG3 H 1 2.362 0.006 . 2 . . . . 29 E HG2 . 15246 1 311 . 1 1 51 51 GLU C C 13 175.570 0.25 . 1 . . . . 29 E C . 15246 1 312 . 1 1 51 51 GLU CA C 13 56.852 0.25 . 1 . . . . 29 E CA . 15246 1 313 . 1 1 51 51 GLU CB C 13 30.207 0.25 . 1 . . . . 29 E CB . 15246 1 314 . 1 1 51 51 GLU CG C 13 36.156 0.25 . 1 . . . . 29 E CG . 15246 1 315 . 1 1 51 51 GLU N N 15 120.355 0.20 . 1 . . . . 29 E N . 15246 1 316 . 1 1 52 52 VAL H H 1 8.395 0.006 . 1 . . . . 30 V HN . 15246 1 317 . 1 1 52 52 VAL HA H 1 5.383 0.006 . 1 . . . . 30 V HA . 15246 1 318 . 1 1 52 52 VAL HB H 1 2.048 0.006 . 1 . . . . 30 V HB . 15246 1 319 . 1 1 52 52 VAL HG11 H 1 0.996 0.006 . 2 . . . . 30 V HG11 . 15246 1 320 . 1 1 52 52 VAL HG12 H 1 0.996 0.006 . 2 . . . . 30 V HG11 . 15246 1 321 . 1 1 52 52 VAL HG13 H 1 0.996 0.006 . 2 . . . . 30 V HG11 . 15246 1 322 . 1 1 52 52 VAL HG21 H 1 0.956 0.006 . 2 . . . . 30 V HG21 . 15246 1 323 . 1 1 52 52 VAL HG22 H 1 0.956 0.006 . 2 . . . . 30 V HG21 . 15246 1 324 . 1 1 52 52 VAL HG23 H 1 0.956 0.006 . 2 . . . . 30 V HG21 . 15246 1 325 . 1 1 52 52 VAL C C 13 175.850 0.25 . 1 . . . . 30 V C . 15246 1 326 . 1 1 52 52 VAL CA C 13 59.969 0.25 . 1 . . . . 30 V CA . 15246 1 327 . 1 1 52 52 VAL CB C 13 36.173 0.25 . 1 . . . . 30 V CB . 15246 1 328 . 1 1 52 52 VAL CG1 C 13 21.629 0.25 . 1 . . . . 30 V CG1 . 15246 1 329 . 1 1 52 52 VAL CG2 C 13 21.083 0.25 . 1 . . . . 30 V CG2 . 15246 1 330 . 1 1 52 52 VAL N N 15 124.120 0.20 . 1 . . . . 30 V N . 15246 1 331 . 1 1 53 53 GLU H H 1 9.289 0.006 . 1 . . . . 31 E HN . 15246 1 332 . 1 1 53 53 GLU HA H 1 4.717 0.006 . 1 . . . . 31 E HA . 15246 1 333 . 1 1 53 53 GLU HB2 H 1 2.158 0.006 . 2 . . . . 31 E HB1 . 15246 1 334 . 1 1 53 53 GLU HB3 H 1 2.067 0.006 . 2 . . . . 31 E HB2 . 15246 1 335 . 1 1 53 53 GLU HG2 H 1 2.366 0.006 . 2 . . . . 31 E HG1 . 15246 1 336 . 1 1 53 53 GLU HG3 H 1 2.282 0.006 . 2 . . . . 31 E HG2 . 15246 1 337 . 1 1 53 53 GLU C C 13 174.370 0.25 . 1 . . . . 31 E C . 15246 1 338 . 1 1 53 53 GLU CA C 13 55.415 0.25 . 1 . . . . 31 E CA . 15246 1 339 . 1 1 53 53 GLU CB C 13 33.211 0.25 . 1 . . . . 31 E CB . 15246 1 340 . 1 1 53 53 GLU CG C 13 36.156 0.25 . 1 . . . . 31 E CG . 15246 1 341 . 1 1 53 53 GLU N N 15 126.346 0.20 . 1 . . . . 31 E N . 15246 1 342 . 1 1 54 54 LEU H H 1 8.763 0.006 . 1 . . . . 32 L HN . 15246 1 343 . 1 1 54 54 LEU HA H 1 5.375 0.006 . 1 . . . . 32 L HA . 15246 1 344 . 1 1 54 54 LEU HB2 H 1 1.835 0.006 . 2 . . . . 32 L HB1 . 15246 1 345 . 1 1 54 54 LEU HB3 H 1 1.350 0.006 . 2 . . . . 32 L HB2 . 15246 1 346 . 1 1 54 54 LEU HD11 H 1 1.097 0.006 . 2 . . . . 32 L HD11 . 15246 1 347 . 1 1 54 54 LEU HD12 H 1 1.097 0.006 . 2 . . . . 32 L HD11 . 15246 1 348 . 1 1 54 54 LEU HD13 H 1 1.097 0.006 . 2 . . . . 32 L HD11 . 15246 1 349 . 1 1 54 54 LEU HD21 H 1 1.097 0.006 . 2 . . . . 32 L HD21 . 15246 1 350 . 1 1 54 54 LEU HD22 H 1 1.097 0.006 . 2 . . . . 32 L HD21 . 15246 1 351 . 1 1 54 54 LEU HD23 H 1 1.097 0.006 . 2 . . . . 32 L HD21 . 15246 1 352 . 1 1 54 54 LEU HG H 1 0.952 0.006 . 1 . . . . 32 L HG . 15246 1 353 . 1 1 54 54 LEU C C 13 175.100 0.25 . 1 . . . . 32 L C . 15246 1 354 . 1 1 54 54 LEU CA C 13 55.010 0.25 . 1 . . . . 32 L CA . 15246 1 355 . 1 1 54 54 LEU CB C 13 45.485 0.25 . 1 . . . . 32 L CB . 15246 1 356 . 1 1 54 54 LEU CD1 C 13 23.668 0.25 . 1 . . . . 32 L CD1 . 15246 1 357 . 1 1 54 54 LEU CD2 C 13 23.668 0.25 . 1 . . . . 32 L CD2 . 15246 1 358 . 1 1 54 54 LEU CG C 13 26.361 0.25 . 1 . . . . 32 L CG . 15246 1 359 . 1 1 54 54 LEU N N 15 126.898 0.20 . 1 . . . . 32 L N . 15246 1 360 . 1 1 55 55 THR H H 1 9.159 0.006 . 1 . . . . 33 T HN . 15246 1 361 . 1 1 55 55 THR HA H 1 4.886 0.006 . 1 . . . . 33 T HA . 15246 1 362 . 1 1 55 55 THR HB H 1 4.775 0.006 . 1 . . . . 33 T HB . 15246 1 363 . 1 1 55 55 THR HG21 H 1 1.303 0.006 . 1 . . . . 33 T HG21 . 15246 1 364 . 1 1 55 55 THR HG22 H 1 1.303 0.006 . 1 . . . . 33 T HG21 . 15246 1 365 . 1 1 55 55 THR HG23 H 1 1.303 0.006 . 1 . . . . 33 T HG21 . 15246 1 366 . 1 1 55 55 THR CA C 13 59.489 0.25 . 1 . . . . 33 T CA . 15246 1 367 . 1 1 55 55 THR CB C 13 69.241 0.25 . 1 . . . . 33 T CB . 15246 1 368 . 1 1 55 55 THR CG2 C 13 22.450 0.25 . 1 . . . . 33 T CG2 . 15246 1 369 . 1 1 55 55 THR N N 15 121.246 0.20 . 1 . . . . 33 T N . 15246 1 370 . 1 1 56 56 PRO HA H 1 4.269 0.006 . 1 . . . . 34 P HA . 15246 1 371 . 1 1 56 56 PRO HB2 H 1 2.380 0.006 . 2 . . . . 34 P HB1 . 15246 1 372 . 1 1 56 56 PRO HB3 H 1 1.847 0.006 . 2 . . . . 34 P HB2 . 15246 1 373 . 1 1 56 56 PRO HD2 H 1 3.887 0.006 . 2 . . . . 34 P HD1 . 15246 1 374 . 1 1 56 56 PRO HD3 H 1 3.802 0.006 . 2 . . . . 34 P HD2 . 15246 1 375 . 1 1 56 56 PRO HG2 H 1 2.199 0.006 . 2 . . . . 34 P HG1 . 15246 1 376 . 1 1 56 56 PRO HG3 H 1 1.970 0.006 . 2 . . . . 34 P HG2 . 15246 1 377 . 1 1 56 56 PRO C C 13 177.750 0.25 . 1 . . . . 34 P C . 15246 1 378 . 1 1 56 56 PRO CA C 13 65.968 0.25 . 1 . . . . 34 P CA . 15246 1 379 . 1 1 56 56 PRO CB C 13 31.786 0.25 . 1 . . . . 34 P CB . 15246 1 380 . 1 1 56 56 PRO CD C 13 50.616 0.25 . 1 . . . . 34 P CD . 15246 1 381 . 1 1 56 56 PRO CG C 13 28.408 0.25 . 1 . . . . 34 P CG . 15246 1 382 . 1 1 57 57 GLU H H 1 8.148 0.006 . 1 . . . . 35 E HN . 15246 1 383 . 1 1 57 57 GLU HA H 1 4.351 0.006 . 1 . . . . 35 E HA . 15246 1 384 . 1 1 57 57 GLU HB2 H 1 2.176 0.006 . 2 . . . . 35 E HB1 . 15246 1 385 . 1 1 57 57 GLU HB3 H 1 1.998 0.006 . 2 . . . . 35 E HB2 . 15246 1 386 . 1 1 57 57 GLU HG2 H 1 2.246 0.006 . 2 . . . . 35 E HG1 . 15246 1 387 . 1 1 57 57 GLU HG3 H 1 2.170 0.006 . 2 . . . . 35 E HG2 . 15246 1 388 . 1 1 57 57 GLU C C 13 175.720 0.25 . 1 . . . . 35 E C . 15246 1 389 . 1 1 57 57 GLU CA C 13 57.085 0.25 . 1 . . . . 35 E CA . 15246 1 390 . 1 1 57 57 GLU CB C 13 30.299 0.25 . 1 . . . . 35 E CB . 15246 1 391 . 1 1 57 57 GLU CG C 13 36.704 0.25 . 1 . . . . 35 E CG . 15246 1 392 . 1 1 57 57 GLU N N 15 112.303 0.20 . 1 . . . . 35 E N . 15246 1 393 . 1 1 58 58 ARG H H 1 7.777 0.006 . 1 . . . . 36 R HN . 15246 1 394 . 1 1 58 58 ARG HA H 1 5.418 0.006 . 1 . . . . 36 R HA . 15246 1 395 . 1 1 58 58 ARG HB2 H 1 1.721 0.006 . 2 . . . . 36 R HB1 . 15246 1 396 . 1 1 58 58 ARG HB3 H 1 1.580 0.006 . 2 . . . . 36 R HB2 . 15246 1 397 . 1 1 58 58 ARG HD2 H 1 3.022 0.006 . 2 . . . . 36 R HD1 . 15246 1 398 . 1 1 58 58 ARG HD3 H 1 3.022 0.006 . 2 . . . . 36 R HD2 . 15246 1 399 . 1 1 58 58 ARG HG2 H 1 1.585 0.006 . 2 . . . . 36 R HG1 . 15246 1 400 . 1 1 58 58 ARG HG3 H 1 1.307 0.006 . 2 . . . . 36 R HG2 . 15246 1 401 . 1 1 58 58 ARG C C 13 173.610 0.25 . 1 . . . . 36 R C . 15246 1 402 . 1 1 58 58 ARG CA C 13 55.576 0.25 . 1 . . . . 36 R CA . 15246 1 403 . 1 1 58 58 ARG CB C 13 33.324 0.25 . 1 . . . . 36 R CB . 15246 1 404 . 1 1 58 58 ARG CD C 13 43.714 0.25 . 1 . . . . 36 R CD . 15246 1 405 . 1 1 58 58 ARG CG C 13 28.347 0.25 . 1 . . . . 36 R CG . 15246 1 406 . 1 1 58 58 ARG N N 15 122.018 0.20 . 1 . . . . 36 R N . 15246 1 407 . 1 1 59 59 GLY H H 1 9.650 0.006 . 1 . . . . 37 G HN . 15246 1 408 . 1 1 59 59 GLY HA2 H 1 5.484 0.006 . 2 . . . . 37 G HA1 . 15246 1 409 . 1 1 59 59 GLY HA3 H 1 3.554 0.006 . 2 . . . . 37 G HA2 . 15246 1 410 . 1 1 59 59 GLY C C 13 171.630 0.25 . 1 . . . . 37 G C . 15246 1 411 . 1 1 59 59 GLY CA C 13 44.563 0.25 . 1 . . . . 37 G CA . 15246 1 412 . 1 1 59 59 GLY N N 15 113.745 0.20 . 1 . . . . 37 G N . 15246 1 413 . 1 1 60 60 PHE H H 1 9.138 0.006 . 1 . . . . 38 F HN . 15246 1 414 . 1 1 60 60 PHE HA H 1 5.472 0.006 . 1 . . . . 38 F HA . 15246 1 415 . 1 1 60 60 PHE HB2 H 1 2.934 0.006 . 2 . . . . 38 F HB1 . 15246 1 416 . 1 1 60 60 PHE HB3 H 1 2.934 0.006 . 2 . . . . 38 F HB2 . 15246 1 417 . 1 1 60 60 PHE HD1 H 1 7.031 0.006 . 3 . . . . 38 F HD1 . 15246 1 418 . 1 1 60 60 PHE HE1 H 1 7.180 0.006 . 3 . . . . 38 F HE1 . 15246 1 419 . 1 1 60 60 PHE C C 13 173.180 0.25 . 1 . . . . 38 F C . 15246 1 420 . 1 1 60 60 PHE CA C 13 57.234 0.25 . 1 . . . . 38 F CA . 15246 1 421 . 1 1 60 60 PHE CB C 13 43.107 0.25 . 1 . . . . 38 F CB . 15246 1 422 . 1 1 60 60 PHE N N 15 124.144 0.20 . 1 . . . . 38 F N . 15246 1 423 . 1 1 61 61 ILE H H 1 8.618 0.006 . 1 . . . . 39 I HN . 15246 1 424 . 1 1 61 61 ILE HA H 1 4.226 0.006 . 1 . . . . 39 I HA . 15246 1 425 . 1 1 61 61 ILE HB H 1 0.854 0.006 . 1 . . . . 39 I HB . 15246 1 426 . 1 1 61 61 ILE HD11 H 1 0.984 0.006 . 1 . . . . 39 I HD11 . 15246 1 427 . 1 1 61 61 ILE HD12 H 1 0.984 0.006 . 1 . . . . 39 I HD11 . 15246 1 428 . 1 1 61 61 ILE HD13 H 1 0.984 0.006 . 1 . . . . 39 I HD11 . 15246 1 429 . 1 1 61 61 ILE HG12 H 1 1.445 0.006 . 1 . . . . 39 I HG11 . 15246 1 430 . 1 1 61 61 ILE HG13 H 1 1.113 0.006 . 1 . . . . 39 I HG12 . 15246 1 431 . 1 1 61 61 ILE HG21 H 1 -0.570 0.006 . 1 . . . . 39 I HG21 . 15246 1 432 . 1 1 61 61 ILE HG22 H 1 -0.570 0.006 . 1 . . . . 39 I HG21 . 15246 1 433 . 1 1 61 61 ILE HG23 H 1 -0.570 0.006 . 1 . . . . 39 I HG21 . 15246 1 434 . 1 1 61 61 ILE C C 13 172.950 0.25 . 1 . . . . 39 I C . 15246 1 435 . 1 1 61 61 ILE CA C 13 60.357 0.25 . 1 . . . . 39 I CA . 15246 1 436 . 1 1 61 61 ILE CB C 13 41.488 0.25 . 1 . . . . 39 I CB . 15246 1 437 . 1 1 61 61 ILE CD1 C 13 17.349 0.25 . 1 . . . . 39 I CD1 . 15246 1 438 . 1 1 61 61 ILE CG1 C 13 29.274 0.25 . 1 . . . . 39 I CG1 . 15246 1 439 . 1 1 61 61 ILE CG2 C 13 19.414 0.25 . 1 . . . . 39 I CG2 . 15246 1 440 . 1 1 61 61 ILE N N 15 126.753 0.20 . 1 . . . . 39 I N . 15246 1 441 . 1 1 62 62 ASP H H 1 8.192 0.006 . 1 . . . . 40 D HN . 15246 1 442 . 1 1 62 62 ASP HA H 1 4.464 0.006 . 1 . . . . 40 D HA . 15246 1 443 . 1 1 62 62 ASP HB2 H 1 3.039 0.006 . 2 . . . . 40 D HB1 . 15246 1 444 . 1 1 62 62 ASP HB3 H 1 2.422 0.006 . 2 . . . . 40 D HB2 . 15246 1 445 . 1 1 62 62 ASP C C 13 176.240 0.25 . 1 . . . . 40 D C . 15246 1 446 . 1 1 62 62 ASP CA C 13 52.208 0.25 . 1 . . . . 40 D CA . 15246 1 447 . 1 1 62 62 ASP CB C 13 41.489 0.25 . 1 . . . . 40 D CB . 15246 1 448 . 1 1 62 62 ASP N N 15 124.314 0.20 . 1 . . . . 40 D N . 15246 1 449 . 1 1 63 63 PHE H H 1 8.165 0.006 . 1 . . . . 41 F HN . 15246 1 450 . 1 1 63 63 PHE HA H 1 4.007 0.006 . 1 . . . . 41 F HA . 15246 1 451 . 1 1 63 63 PHE HB2 H 1 2.849 0.006 . 2 . . . . 41 F HB1 . 15246 1 452 . 1 1 63 63 PHE HB3 H 1 2.417 0.006 . 2 . . . . 41 F HB2 . 15246 1 453 . 1 1 63 63 PHE HD1 H 1 5.532 0.006 . 3 . . . . 41 F HD1 . 15246 1 454 . 1 1 63 63 PHE C C 13 175.640 0.25 . 1 . . . . 41 F C . 15246 1 455 . 1 1 63 63 PHE CA C 13 58.407 0.25 . 1 . . . . 41 F CA . 15246 1 456 . 1 1 63 63 PHE CB C 13 38.486 0.25 . 1 . . . . 41 F CB . 15246 1 457 . 1 1 63 63 PHE N N 15 123.395 0.20 . 1 . . . . 41 F N . 15246 1 458 . 1 1 64 64 GLY H H 1 9.003 0.006 . 1 . . . . 42 G HN . 15246 1 459 . 1 1 64 64 GLY HA2 H 1 4.675 0.006 . 2 . . . . 42 G HA1 . 15246 1 460 . 1 1 64 64 GLY HA3 H 1 3.484 0.006 . 2 . . . . 42 G HA2 . 15246 1 461 . 1 1 64 64 GLY CA C 13 45.938 0.25 . 1 . . . . 42 G CA . 15246 1 462 . 1 1 64 64 GLY N N 15 112.196 0.20 . 1 . . . . 42 G N . 15246 1 463 . 1 1 65 65 ASP HA H 1 4.675 0.006 . 1 . . . . 43 D HA . 15246 1 464 . 1 1 65 65 ASP HB2 H 1 2.723 0.006 . 2 . . . . 43 D HB1 . 15246 1 465 . 1 1 65 65 ASP HB3 H 1 2.723 0.006 . 2 . . . . 43 D HB2 . 15246 1 466 . 1 1 65 65 ASP C C 13 176.170 0.25 . 1 . . . . 43 D C . 15246 1 467 . 1 1 65 65 ASP CA C 13 55.415 0.25 . 1 . . . . 43 D CA . 15246 1 468 . 1 1 65 65 ASP CB C 13 41.379 0.25 . 1 . . . . 43 D CB . 15246 1 469 . 1 1 66 66 SER H H 1 7.743 0.006 . 1 . . . . 44 S HN . 15246 1 470 . 1 1 66 66 SER HA H 1 5.292 0.006 . 1 . . . . 44 S HA . 15246 1 471 . 1 1 66 66 SER HB2 H 1 3.920 0.006 . 2 . . . . 44 S HB1 . 15246 1 472 . 1 1 66 66 SER HB3 H 1 3.580 0.006 . 2 . . . . 44 S HB2 . 15246 1 473 . 1 1 66 66 SER C C 13 172.190 0.25 . 1 . . . . 44 S C . 15246 1 474 . 1 1 66 66 SER CA C 13 57.890 0.25 . 1 . . . . 44 S CA . 15246 1 475 . 1 1 66 66 SER CB C 13 66.054 0.25 . 1 . . . . 44 S CB . 15246 1 476 . 1 1 66 66 SER N N 15 112.796 0.20 . 1 . . . . 44 S N . 15246 1 477 . 1 1 67 67 ASN H H 1 9.075 0.006 . 1 . . . . 45 N HN . 15246 1 478 . 1 1 67 67 ASN HA H 1 5.126 0.006 . 1 . . . . 45 N HA . 15246 1 479 . 1 1 67 67 ASN HB2 H 1 2.851 0.006 . 2 . . . . 45 N HB1 . 15246 1 480 . 1 1 67 67 ASN HB3 H 1 2.458 0.006 . 2 . . . . 45 N HB2 . 15246 1 481 . 1 1 67 67 ASN C C 13 172.300 0.25 . 1 . . . . 45 N C . 15246 1 482 . 1 1 67 67 ASN CA C 13 52.997 0.25 . 1 . . . . 45 N CA . 15246 1 483 . 1 1 67 67 ASN CB C 13 42.047 0.25 . 1 . . . . 45 N CB . 15246 1 484 . 1 1 67 67 ASN N N 15 114.955 0.20 . 1 . . . . 45 N N . 15246 1 485 . 1 1 68 68 CYS H H 1 8.757 0.006 . 1 . . . . 46 C HN . 15246 1 486 . 1 1 68 68 CYS HA H 1 5.652 0.006 . 1 . . . . 46 C HA . 15246 1 487 . 1 1 68 68 CYS HB2 H 1 2.621 0.006 . 2 . . . . 46 C HB1 . 15246 1 488 . 1 1 68 68 CYS HB3 H 1 2.621 0.006 . 2 . . . . 46 C HB2 . 15246 1 489 . 1 1 68 68 CYS C C 13 170.650 0.25 . 1 . . . . 46 C C . 15246 1 490 . 1 1 68 68 CYS CA C 13 56.668 0.25 . 1 . . . . 46 C CA . 15246 1 491 . 1 1 68 68 CYS CB C 13 31.195 0.25 . 1 . . . . 46 C CB . 15246 1 492 . 1 1 68 68 CYS N N 15 119.184 0.20 . 1 . . . . 46 C N . 15246 1 493 . 1 1 69 69 GLU H H 1 9.587 0.006 . 1 . . . . 47 E HN . 15246 1 494 . 1 1 69 69 GLU HA H 1 5.283 0.006 . 1 . . . . 47 E HA . 15246 1 495 . 1 1 69 69 GLU HB2 H 1 2.407 0.006 . 2 . . . . 47 E HB1 . 15246 1 496 . 1 1 69 69 GLU HB3 H 1 2.140 0.006 . 2 . . . . 47 E HB2 . 15246 1 497 . 1 1 69 69 GLU HG2 H 1 2.417 0.006 . 2 . . . . 47 E HG1 . 15246 1 498 . 1 1 69 69 GLU HG3 H 1 2.330 0.006 . 2 . . . . 47 E HG2 . 15246 1 499 . 1 1 69 69 GLU C C 13 174.190 0.25 . 1 . . . . 47 E C . 15246 1 500 . 1 1 69 69 GLU CA C 13 54.401 0.25 . 1 . . . . 47 E CA . 15246 1 501 . 1 1 69 69 GLU CB C 13 33.607 0.25 . 1 . . . . 47 E CB . 15246 1 502 . 1 1 69 69 GLU CG C 13 36.836 0.25 . 1 . . . . 47 E CG . 15246 1 503 . 1 1 69 69 GLU N N 15 131.612 0.20 . 1 . . . . 47 E N . 15246 1 504 . 1 1 70 70 LEU H H 1 9.523 0.006 . 1 . . . . 48 L HN . 15246 1 505 . 1 1 70 70 LEU HA H 1 5.314 0.006 . 1 . . . . 48 L HA . 15246 1 506 . 1 1 70 70 LEU HB2 H 1 1.795 0.006 . 2 . . . . 48 L HB1 . 15246 1 507 . 1 1 70 70 LEU HB3 H 1 1.296 0.006 . 2 . . . . 48 L HB2 . 15246 1 508 . 1 1 70 70 LEU HD11 H 1 0.929 0.006 . 2 . . . . 48 L HD11 . 15246 1 509 . 1 1 70 70 LEU HD12 H 1 0.929 0.006 . 2 . . . . 48 L HD11 . 15246 1 510 . 1 1 70 70 LEU HD13 H 1 0.929 0.006 . 2 . . . . 48 L HD11 . 15246 1 511 . 1 1 70 70 LEU HD21 H 1 0.929 0.006 . 2 . . . . 48 L HD21 . 15246 1 512 . 1 1 70 70 LEU HD22 H 1 0.929 0.006 . 2 . . . . 48 L HD21 . 15246 1 513 . 1 1 70 70 LEU HD23 H 1 0.929 0.006 . 2 . . . . 48 L HD21 . 15246 1 514 . 1 1 70 70 LEU HG H 1 1.030 0.006 . 1 . . . . 48 L HG . 15246 1 515 . 1 1 70 70 LEU C C 13 174.730 0.25 . 1 . . . . 48 L C . 15246 1 516 . 1 1 70 70 LEU CA C 13 53.570 0.25 . 1 . . . . 48 L CA . 15246 1 517 . 1 1 70 70 LEU CB C 13 46.109 0.25 . 1 . . . . 48 L CB . 15246 1 518 . 1 1 70 70 LEU CD1 C 13 26.430 0.25 . 1 . . . . 48 L CD1 . 15246 1 519 . 1 1 70 70 LEU CD2 C 13 26.430 0.25 . 1 . . . . 48 L CD2 . 15246 1 520 . 1 1 70 70 LEU CG C 13 28.518 0.25 . 1 . . . . 48 L CG . 15246 1 521 . 1 1 70 70 LEU N N 15 125.069 0.20 . 1 . . . . 48 L N . 15246 1 522 . 1 1 71 71 LEU H H 1 9.493 0.006 . 1 . . . . 49 L HN . 15246 1 523 . 1 1 71 71 LEU HA H 1 5.001 0.006 . 1 . . . . 49 L HA . 15246 1 524 . 1 1 71 71 LEU HB2 H 1 1.962 0.006 . 2 . . . . 49 L HB1 . 15246 1 525 . 1 1 71 71 LEU HB3 H 1 1.504 0.006 . 2 . . . . 49 L HB2 . 15246 1 526 . 1 1 71 71 LEU HD11 H 1 1.029 0.006 . 2 . . . . 49 L HD11 . 15246 1 527 . 1 1 71 71 LEU HD12 H 1 1.029 0.006 . 2 . . . . 49 L HD11 . 15246 1 528 . 1 1 71 71 LEU HD13 H 1 1.029 0.006 . 2 . . . . 49 L HD11 . 15246 1 529 . 1 1 71 71 LEU HD21 H 1 1.029 0.006 . 2 . . . . 49 L HD21 . 15246 1 530 . 1 1 71 71 LEU HD22 H 1 1.029 0.006 . 2 . . . . 49 L HD21 . 15246 1 531 . 1 1 71 71 LEU HD23 H 1 1.029 0.006 . 2 . . . . 49 L HD21 . 15246 1 532 . 1 1 71 71 LEU HG H 1 1.705 0.006 . 1 . . . . 49 L HG . 15246 1 533 . 1 1 71 71 LEU C C 13 175.310 0.25 . 1 . . . . 49 L C . 15246 1 534 . 1 1 71 71 LEU CA C 13 53.809 0.25 . 1 . . . . 49 L CA . 15246 1 535 . 1 1 71 71 LEU CB C 13 42.880 0.25 . 1 . . . . 49 L CB . 15246 1 536 . 1 1 71 71 LEU CD1 C 13 25.270 0.25 . 1 . . . . 49 L CD1 . 15246 1 537 . 1 1 71 71 LEU CD2 C 13 25.270 0.25 . 1 . . . . 49 L CD2 . 15246 1 538 . 1 1 71 71 LEU CG C 13 27.643 0.25 . 1 . . . . 49 L CG . 15246 1 539 . 1 1 71 71 LEU N N 15 123.714 0.20 . 1 . . . . 49 L N . 15246 1 540 . 1 1 72 72 ALA H H 1 8.255 0.006 . 1 . . . . 50 A HN . 15246 1 541 . 1 1 72 72 ALA HA H 1 4.307 0.006 . 1 . . . . 50 A HA . 15246 1 542 . 1 1 72 72 ALA HB1 H 1 1.117 0.006 . 1 . . . . 50 A HB1 . 15246 1 543 . 1 1 72 72 ALA HB2 H 1 1.117 0.006 . 1 . . . . 50 A HB1 . 15246 1 544 . 1 1 72 72 ALA HB3 H 1 1.117 0.006 . 1 . . . . 50 A HB1 . 15246 1 545 . 1 1 72 72 ALA C C 13 174.800 0.25 . 1 . . . . 50 A C . 15246 1 546 . 1 1 72 72 ALA CA C 13 51.618 0.25 . 1 . . . . 50 A CA . 15246 1 547 . 1 1 72 72 ALA CB C 13 18.634 0.25 . 1 . . . . 50 A CB . 15246 1 548 . 1 1 72 72 ALA N N 15 125.398 0.20 . 1 . . . . 50 A N . 15246 1 549 . 1 1 73 73 HIS H H 1 8.053 0.006 . 1 . . . . 51 H HN . 15246 1 550 . 1 1 73 73 HIS HA H 1 4.953 0.006 . 1 . . . . 51 H HA . 15246 1 551 . 1 1 73 73 HIS HB2 H 1 3.074 0.006 . 2 . . . . 51 H HB1 . 15246 1 552 . 1 1 73 73 HIS HB3 H 1 2.239 0.006 . 2 . . . . 51 H HB2 . 15246 1 553 . 1 1 73 73 HIS HD2 H 1 6.485 0.006 . 1 . . . . 51 H HD2 . 15246 1 554 . 1 1 73 73 HIS CA C 13 54.682 0.25 . 1 . . . . 51 H CA . 15246 1 555 . 1 1 73 73 HIS CB C 13 31.150 0.25 . 1 . . . . 51 H CB . 15246 1 556 . 1 1 73 73 HIS N N 15 123.172 0.20 . 1 . . . . 51 H N . 15246 1 557 . 1 1 74 74 PRO HA H 1 4.385 0.006 . 1 . . . . 52 P HA . 15246 1 558 . 1 1 74 74 PRO HB2 H 1 1.977 0.006 . 2 . . . . 52 P HB1 . 15246 1 559 . 1 1 74 74 PRO HB3 H 1 2.535 0.006 . 2 . . . . 52 P HB2 . 15246 1 560 . 1 1 74 74 PRO HD2 H 1 4.000 0.006 . 2 . . . . 52 P HD1 . 15246 1 561 . 1 1 74 74 PRO HD3 H 1 3.835 0.006 . 2 . . . . 52 P HD2 . 15246 1 562 . 1 1 74 74 PRO HG2 H 1 2.213 0.006 . 2 . . . . 52 P HG1 . 15246 1 563 . 1 1 74 74 PRO HG3 H 1 2.097 0.006 . 2 . . . . 52 P HG2 . 15246 1 564 . 1 1 74 74 PRO C C 13 176.370 0.25 . 1 . . . . 52 P C . 15246 1 565 . 1 1 74 74 PRO CA C 13 65.625 0.25 . 1 . . . . 52 P CA . 15246 1 566 . 1 1 74 74 PRO CB C 13 32.014 0.25 . 1 . . . . 52 P CB . 15246 1 567 . 1 1 74 74 PRO CD C 13 51.109 0.25 . 1 . . . . 52 P CD . 15246 1 568 . 1 1 74 74 PRO CG C 13 28.037 0.25 . 1 . . . . 52 P CG . 15246 1 569 . 1 1 75 75 ASP H H 1 8.303 0.006 . 1 . . . . 53 D HN . 15246 1 570 . 1 1 75 75 ASP HA H 1 4.955 0.006 . 1 . . . . 53 D HA . 15246 1 571 . 1 1 75 75 ASP HB2 H 1 3.136 0.006 . 2 . . . . 53 D HB1 . 15246 1 572 . 1 1 75 75 ASP HB3 H 1 2.695 0.006 . 2 . . . . 53 D HB2 . 15246 1 573 . 1 1 75 75 ASP C C 13 177.380 0.25 . 1 . . . . 53 D C . 15246 1 574 . 1 1 75 75 ASP CA C 13 52.034 0.25 . 1 . . . . 53 D CA . 15246 1 575 . 1 1 75 75 ASP CB C 13 41.826 0.25 . 1 . . . . 53 D CB . 15246 1 576 . 1 1 75 75 ASP N N 15 109.961 0.20 . 1 . . . . 53 D N . 15246 1 577 . 1 1 76 76 HIS H H 1 7.379 0.006 . 1 . . . . 54 H HN . 15246 1 578 . 1 1 76 76 HIS HA H 1 5.421 0.006 . 1 . . . . 54 H HA . 15246 1 579 . 1 1 76 76 HIS HB2 H 1 3.222 0.006 . 2 . . . . 54 H HB1 . 15246 1 580 . 1 1 76 76 HIS HB3 H 1 2.469 0.006 . 2 . . . . 54 H HB2 . 15246 1 581 . 1 1 76 76 HIS HD2 H 1 5.929 0.006 . 1 . . . . 54 H HD2 . 15246 1 582 . 1 1 76 76 HIS C C 13 172.470 0.25 . 1 . . . . 54 H C . 15246 1 583 . 1 1 76 76 HIS CA C 13 56.943 0.25 . 1 . . . . 54 H CA . 15246 1 584 . 1 1 76 76 HIS CB C 13 29.909 0.25 . 1 . . . . 54 H CB . 15246 1 585 . 1 1 76 76 HIS N N 15 114.752 0.20 . 1 . . . . 54 H N . 15246 1 586 . 1 1 77 77 VAL H H 1 8.933 0.006 . 1 . . . . 55 V HN . 15246 1 587 . 1 1 77 77 VAL HA H 1 4.837 0.006 . 1 . . . . 55 V HA . 15246 1 588 . 1 1 77 77 VAL HB H 1 1.927 0.006 . 1 . . . . 55 V HB . 15246 1 589 . 1 1 77 77 VAL HG11 H 1 0.901 0.006 . 2 . . . . 55 V HG11 . 15246 1 590 . 1 1 77 77 VAL HG12 H 1 0.901 0.006 . 2 . . . . 55 V HG11 . 15246 1 591 . 1 1 77 77 VAL HG13 H 1 0.901 0.006 . 2 . . . . 55 V HG11 . 15246 1 592 . 1 1 77 77 VAL HG21 H 1 0.901 0.006 . 2 . . . . 55 V HG21 . 15246 1 593 . 1 1 77 77 VAL HG22 H 1 0.901 0.006 . 2 . . . . 55 V HG21 . 15246 1 594 . 1 1 77 77 VAL HG23 H 1 0.901 0.006 . 2 . . . . 55 V HG21 . 15246 1 595 . 1 1 77 77 VAL C C 13 173.420 0.25 . 1 . . . . 55 V C . 15246 1 596 . 1 1 77 77 VAL CA C 13 59.429 0.25 . 1 . . . . 55 V CA . 15246 1 597 . 1 1 77 77 VAL CB C 13 35.121 0.25 . 1 . . . . 55 V CB . 15246 1 598 . 1 1 77 77 VAL CG1 C 13 22.098 0.25 . 1 . . . . 55 V CG1 . 15246 1 599 . 1 1 77 77 VAL CG2 C 13 22.098 0.25 . 1 . . . . 55 V CG2 . 15246 1 600 . 1 1 77 77 VAL N N 15 117.287 0.20 . 1 . . . . 55 V N . 15246 1 601 . 1 1 78 78 LEU H H 1 9.004 0.006 . 1 . . . . 56 L HN . 15246 1 602 . 1 1 78 78 LEU HA H 1 5.466 0.006 . 1 . . . . 56 L HA . 15246 1 603 . 1 1 78 78 LEU HB2 H 1 2.138 0.006 . 2 . . . . 56 L HB1 . 15246 1 604 . 1 1 78 78 LEU HB3 H 1 1.602 0.006 . 2 . . . . 56 L HB2 . 15246 1 605 . 1 1 78 78 LEU HD11 H 1 0.874 0.006 . 2 . . . . 56 L HD11 . 15246 1 606 . 1 1 78 78 LEU HD12 H 1 0.874 0.006 . 2 . . . . 56 L HD11 . 15246 1 607 . 1 1 78 78 LEU HD13 H 1 0.874 0.006 . 2 . . . . 56 L HD11 . 15246 1 608 . 1 1 78 78 LEU HD21 H 1 0.874 0.006 . 2 . . . . 56 L HD21 . 15246 1 609 . 1 1 78 78 LEU HD22 H 1 0.874 0.006 . 2 . . . . 56 L HD21 . 15246 1 610 . 1 1 78 78 LEU HD23 H 1 0.874 0.006 . 2 . . . . 56 L HD21 . 15246 1 611 . 1 1 78 78 LEU HG H 1 1.095 0.006 . 1 . . . . 56 L HG . 15246 1 612 . 1 1 78 78 LEU C C 13 175.140 0.25 . 1 . . . . 56 L C . 15246 1 613 . 1 1 78 78 LEU CA C 13 53.084 0.25 . 1 . . . . 56 L CA . 15246 1 614 . 1 1 78 78 LEU CB C 13 44.499 0.25 . 1 . . . . 56 L CB . 15246 1 615 . 1 1 78 78 LEU CD1 C 13 22.767 0.25 . 1 . . . . 56 L CD1 . 15246 1 616 . 1 1 78 78 LEU CD2 C 13 22.767 0.25 . 1 . . . . 56 L CD2 . 15246 1 617 . 1 1 78 78 LEU CG C 13 26.172 0.25 . 1 . . . . 56 L CG . 15246 1 618 . 1 1 78 78 LEU N N 15 130.334 0.20 . 1 . . . . 56 L N . 15246 1 619 . 1 1 79 79 MET H H 1 9.381 0.006 . 1 . . . . 57 M HN . 15246 1 620 . 1 1 79 79 MET HA H 1 5.678 0.006 . 1 . . . . 57 M HA . 15246 1 621 . 1 1 79 79 MET HB2 H 1 2.188 0.006 . 2 . . . . 57 M HB1 . 15246 1 622 . 1 1 79 79 MET HB3 H 1 1.759 0.006 . 2 . . . . 57 M HB2 . 15246 1 623 . 1 1 79 79 MET HG2 H 1 2.356 0.006 . 2 . . . . 57 M HG1 . 15246 1 624 . 1 1 79 79 MET HG3 H 1 2.166 0.006 . 2 . . . . 57 M HG2 . 15246 1 625 . 1 1 79 79 MET C C 13 175.160 0.25 . 1 . . . . 57 M C . 15246 1 626 . 1 1 79 79 MET CA C 13 54.216 0.25 . 1 . . . . 57 M CA . 15246 1 627 . 1 1 79 79 MET CB C 13 37.309 0.25 . 1 . . . . 57 M CB . 15246 1 628 . 1 1 79 79 MET CG C 13 32.374 0.25 . 1 . . . . 57 M CG . 15246 1 629 . 1 1 79 79 MET N N 15 124.304 0.20 . 1 . . . . 57 M N . 15246 1 630 . 1 1 80 80 ILE H H 1 9.552 0.006 . 1 . . . . 58 I HN . 15246 1 631 . 1 1 80 80 ILE HA H 1 4.957 0.006 . 1 . . . . 58 I HA . 15246 1 632 . 1 1 80 80 ILE HB H 1 2.072 0.006 . 1 . . . . 58 I HB . 15246 1 633 . 1 1 80 80 ILE HD11 H 1 0.947 0.006 . 1 . . . . 58 I HD11 . 15246 1 634 . 1 1 80 80 ILE HD12 H 1 0.947 0.006 . 1 . . . . 58 I HD11 . 15246 1 635 . 1 1 80 80 ILE HD13 H 1 0.947 0.006 . 1 . . . . 58 I HD11 . 15246 1 636 . 1 1 80 80 ILE HG12 H 1 1.567 0.006 . 1 . . . . 58 I HG11 . 15246 1 637 . 1 1 80 80 ILE HG13 H 1 1.098 0.006 . 1 . . . . 58 I HG12 . 15246 1 638 . 1 1 80 80 ILE HG21 H 1 0.963 0.006 . 1 . . . . 58 I HG21 . 15246 1 639 . 1 1 80 80 ILE HG22 H 1 0.963 0.006 . 1 . . . . 58 I HG21 . 15246 1 640 . 1 1 80 80 ILE HG23 H 1 0.963 0.006 . 1 . . . . 58 I HG21 . 15246 1 641 . 1 1 80 80 ILE C C 13 175.160 0.25 . 1 . . . . 58 I C . 15246 1 642 . 1 1 80 80 ILE CA C 13 61.338 0.25 . 1 . . . . 58 I CA . 15246 1 643 . 1 1 80 80 ILE CB C 13 41.092 0.25 . 1 . . . . 58 I CB . 15246 1 644 . 1 1 80 80 ILE CD1 C 13 14.599 0.25 . 1 . . . . 58 I CD1 . 15246 1 645 . 1 1 80 80 ILE CG1 C 13 27.529 0.25 . 1 . . . . 58 I CG1 . 15246 1 646 . 1 1 80 80 ILE CG2 C 13 18.353 0.25 . 1 . . . . 58 I CG2 . 15246 1 647 . 1 1 80 80 ILE N N 15 122.359 0.20 . 1 . . . . 58 I N . 15246 1 648 . 1 1 81 81 LEU H H 1 9.549 0.006 . 1 . . . . 59 L HN . 15246 1 649 . 1 1 81 81 LEU HA H 1 5.274 0.006 . 1 . . . . 59 L HA . 15246 1 650 . 1 1 81 81 LEU HB2 H 1 1.545 0.006 . 2 . . . . 59 L HB1 . 15246 1 651 . 1 1 81 81 LEU HB3 H 1 1.478 0.006 . 2 . . . . 59 L HB2 . 15246 1 652 . 1 1 81 81 LEU HD11 H 1 0.431 0.006 . 2 . . . . 59 L HD11 . 15246 1 653 . 1 1 81 81 LEU HD12 H 1 0.431 0.006 . 2 . . . . 59 L HD11 . 15246 1 654 . 1 1 81 81 LEU HD13 H 1 0.431 0.006 . 2 . . . . 59 L HD11 . 15246 1 655 . 1 1 81 81 LEU HD21 H 1 0.431 0.006 . 2 . . . . 59 L HD21 . 15246 1 656 . 1 1 81 81 LEU HD22 H 1 0.431 0.006 . 2 . . . . 59 L HD21 . 15246 1 657 . 1 1 81 81 LEU HD23 H 1 0.431 0.006 . 2 . . . . 59 L HD21 . 15246 1 658 . 1 1 81 81 LEU HG H 1 0.508 0.006 . 1 . . . . 59 L HG . 15246 1 659 . 1 1 81 81 LEU C C 13 174.280 0.25 . 1 . . . . 59 L C . 15246 1 660 . 1 1 81 81 LEU CA C 13 53.621 0.25 . 1 . . . . 59 L CA . 15246 1 661 . 1 1 81 81 LEU CB C 13 46.837 0.25 . 1 . . . . 59 L CB . 15246 1 662 . 1 1 81 81 LEU CD1 C 13 24.474 0.25 . 1 . . . . 59 L CD1 . 15246 1 663 . 1 1 81 81 LEU CD2 C 13 24.474 0.25 . 1 . . . . 59 L CD2 . 15246 1 664 . 1 1 81 81 LEU CG C 13 26.110 0.25 . 1 . . . . 59 L CG . 15246 1 665 . 1 1 81 81 LEU N N 15 131.901 0.20 . 1 . . . . 59 L N . 15246 1 666 . 1 1 82 82 ASN H H 1 8.516 0.006 . 1 . . . . 60 N HN . 15246 1 667 . 1 1 82 82 ASN HA H 1 5.851 0.006 . 1 . . . . 60 N HA . 15246 1 668 . 1 1 82 82 ASN HB2 H 1 2.777 0.006 . 2 . . . . 60 N HB1 . 15246 1 669 . 1 1 82 82 ASN HB3 H 1 2.384 0.006 . 2 . . . . 60 N HB2 . 15246 1 670 . 1 1 82 82 ASN C C 13 174.840 0.25 . 1 . . . . 60 N C . 15246 1 671 . 1 1 82 82 ASN CA C 13 52.549 0.25 . 1 . . . . 60 N CA . 15246 1 672 . 1 1 82 82 ASN CB C 13 43.188 0.25 . 1 . . . . 60 N CB . 15246 1 673 . 1 1 82 82 ASN N N 15 120.142 0.20 . 1 . . . . 60 N N . 15246 1 674 . 1 1 83 83 SER H H 1 9.176 0.006 . 1 . . . . 61 S HN . 15246 1 675 . 1 1 83 83 SER HA H 1 5.295 0.006 . 1 . . . . 61 S HA . 15246 1 676 . 1 1 83 83 SER HB2 H 1 3.824 0.006 . 2 . . . . 61 S HB1 . 15246 1 677 . 1 1 83 83 SER HB3 H 1 3.387 0.006 . 2 . . . . 61 S HB2 . 15246 1 678 . 1 1 83 83 SER CA C 13 57.388 0.25 . 1 . . . . 61 S CA . 15246 1 679 . 1 1 83 83 SER CB C 13 68.052 0.25 . 1 . . . . 61 S CB . 15246 1 680 . 1 1 83 83 SER N N 15 116.871 0.20 . 1 . . . . 61 S N . 15246 1 681 . 1 1 84 84 PRO HA H 1 4.907 0.006 . 1 . . . . 62 P HA . 15246 1 682 . 1 1 84 84 PRO HB2 H 1 2.371 0.006 . 2 . . . . 62 P HB1 . 15246 1 683 . 1 1 84 84 PRO HB3 H 1 2.162 0.006 . 2 . . . . 62 P HB2 . 15246 1 684 . 1 1 84 84 PRO HD2 H 1 3.830 0.006 . 2 . . . . 62 P HD1 . 15246 1 685 . 1 1 84 84 PRO HD3 H 1 3.691 0.006 . 2 . . . . 62 P HD2 . 15246 1 686 . 1 1 84 84 PRO HG2 H 1 2.055 0.006 . 2 . . . . 62 P HG1 . 15246 1 687 . 1 1 84 84 PRO HG3 H 1 2.013 0.006 . 2 . . . . 62 P HG2 . 15246 1 688 . 1 1 84 84 PRO C C 13 175.210 0.25 . 1 . . . . 62 P C . 15246 1 689 . 1 1 84 84 PRO CA C 13 64.539 0.25 . 1 . . . . 62 P CA . 15246 1 690 . 1 1 84 84 PRO CB C 13 32.726 0.25 . 1 . . . . 62 P CB . 15246 1 691 . 1 1 84 84 PRO CD C 13 51.173 0.25 . 1 . . . . 62 P CD . 15246 1 692 . 1 1 84 84 PRO CG C 13 27.495 0.25 . 1 . . . . 62 P CG . 15246 1 693 . 1 1 85 85 ASP H H 1 7.228 0.006 . 1 . . . . 63 D HN . 15246 1 694 . 1 1 85 85 ASP HA H 1 4.630 0.006 . 1 . . . . 63 D HA . 15246 1 695 . 1 1 85 85 ASP HB2 H 1 2.825 0.006 . 2 . . . . 63 D HB1 . 15246 1 696 . 1 1 85 85 ASP HB3 H 1 2.825 0.006 . 2 . . . . 63 D HB2 . 15246 1 697 . 1 1 85 85 ASP C C 13 174.540 0.25 . 1 . . . . 63 D C . 15246 1 698 . 1 1 85 85 ASP CA C 13 53.119 0.25 . 1 . . . . 63 D CA . 15246 1 699 . 1 1 85 85 ASP CB C 13 42.880 0.25 . 1 . . . . 63 D CB . 15246 1 700 . 1 1 85 85 ASP N N 15 112.313 0.20 . 1 . . . . 63 D N . 15246 1 701 . 1 1 86 86 GLU H H 1 8.761 0.006 . 1 . . . . 64 E HN . 15246 1 702 . 1 1 86 86 GLU HA H 1 3.321 0.006 . 1 . . . . 64 E HA . 15246 1 703 . 1 1 86 86 GLU HB2 H 1 1.750 0.006 . 2 . . . . 64 E HB1 . 15246 1 704 . 1 1 86 86 GLU HB3 H 1 1.637 0.006 . 2 . . . . 64 E HB2 . 15246 1 705 . 1 1 86 86 GLU HG2 H 1 1.762 0.006 . 2 . . . . 64 E HG1 . 15246 1 706 . 1 1 86 86 GLU HG3 H 1 1.513 0.006 . 2 . . . . 64 E HG2 . 15246 1 707 . 1 1 86 86 GLU C C 13 178.440 0.25 . 1 . . . . 64 E C . 15246 1 708 . 1 1 86 86 GLU CA C 13 59.937 0.25 . 1 . . . . 64 E CA . 15246 1 709 . 1 1 86 86 GLU CB C 13 29.707 0.25 . 1 . . . . 64 E CB . 15246 1 710 . 1 1 86 86 GLU CG C 13 37.096 0.25 . 1 . . . . 64 E CG . 15246 1 711 . 1 1 86 86 GLU N N 15 120.055 0.20 . 1 . . . . 64 E N . 15246 1 712 . 1 1 87 87 ASP H H 1 8.332 0.006 . 1 . . . . 65 D HN . 15246 1 713 . 1 1 87 87 ASP HA H 1 4.414 0.006 . 1 . . . . 65 D HA . 15246 1 714 . 1 1 87 87 ASP HB2 H 1 2.582 0.006 . 2 . . . . 65 D HB1 . 15246 1 715 . 1 1 87 87 ASP HB3 H 1 2.629 0.006 . 2 . . . . 65 D HB2 . 15246 1 716 . 1 1 87 87 ASP C C 13 179.400 0.25 . 1 . . . . 65 D C . 15246 1 717 . 1 1 87 87 ASP CA C 13 57.203 0.25 . 1 . . . . 65 D CA . 15246 1 718 . 1 1 87 87 ASP CB C 13 40.323 0.25 . 1 . . . . 65 D CB . 15246 1 719 . 1 1 87 87 ASP N N 15 121.933 0.20 . 1 . . . . 65 D N . 15246 1 720 . 1 1 88 88 SER H H 1 8.949 0.006 . 1 . . . . 66 S HN . 15246 1 721 . 1 1 88 88 SER HA H 1 4.169 0.006 . 1 . . . . 66 S HA . 15246 1 722 . 1 1 88 88 SER HB2 H 1 3.776 0.006 . 2 . . . . 66 S HB1 . 15246 1 723 . 1 1 88 88 SER HB3 H 1 3.776 0.006 . 2 . . . . 66 S HB2 . 15246 1 724 . 1 1 88 88 SER C C 13 176.110 0.25 . 1 . . . . 66 S C . 15246 1 725 . 1 1 88 88 SER CA C 13 62.032 0.25 . 1 . . . . 66 S CA . 15246 1 726 . 1 1 88 88 SER CB C 13 62.178 0.25 . 1 . . . . 66 S CB . 15246 1 727 . 1 1 88 88 SER N N 15 119.726 0.20 . 1 . . . . 66 S N . 15246 1 728 . 1 1 89 89 LEU H H 1 7.737 0.006 . 1 . . . . 67 L HN . 15246 1 729 . 1 1 89 89 LEU HA H 1 4.017 0.006 . 1 . . . . 67 L HA . 15246 1 730 . 1 1 89 89 LEU HB2 H 1 1.760 0.006 . 2 . . . . 67 L HB1 . 15246 1 731 . 1 1 89 89 LEU HB3 H 1 1.298 0.006 . 2 . . . . 67 L HB2 . 15246 1 732 . 1 1 89 89 LEU HD11 H 1 0.714 0.006 . 2 . . . . 67 L HD11 . 15246 1 733 . 1 1 89 89 LEU HD12 H 1 0.714 0.006 . 2 . . . . 67 L HD11 . 15246 1 734 . 1 1 89 89 LEU HD13 H 1 0.714 0.006 . 2 . . . . 67 L HD11 . 15246 1 735 . 1 1 89 89 LEU HD21 H 1 0.714 0.006 . 2 . . . . 67 L HD21 . 15246 1 736 . 1 1 89 89 LEU HD22 H 1 0.714 0.006 . 2 . . . . 67 L HD21 . 15246 1 737 . 1 1 89 89 LEU HD23 H 1 0.714 0.006 . 2 . . . . 67 L HD21 . 15246 1 738 . 1 1 89 89 LEU HG H 1 0.767 0.006 . 1 . . . . 67 L HG . 15246 1 739 . 1 1 89 89 LEU C C 13 177.790 0.25 . 1 . . . . 67 L C . 15246 1 740 . 1 1 89 89 LEU CA C 13 57.958 0.25 . 1 . . . . 67 L CA . 15246 1 741 . 1 1 89 89 LEU CB C 13 42.394 0.25 . 1 . . . . 67 L CB . 15246 1 742 . 1 1 89 89 LEU CD1 C 13 22.655 0.25 . 1 . . . . 67 L CD1 . 15246 1 743 . 1 1 89 89 LEU CD2 C 13 22.655 0.25 . 1 . . . . 67 L CD2 . 15246 1 744 . 1 1 89 89 LEU CG C 13 26.697 0.25 . 1 . . . . 67 L CG . 15246 1 745 . 1 1 89 89 LEU N N 15 122.942 0.20 . 1 . . . . 67 L N . 15246 1 746 . 1 1 90 90 ALA H H 1 7.483 0.006 . 1 . . . . 68 A HN . 15246 1 747 . 1 1 90 90 ALA HA H 1 3.780 0.006 . 1 . . . . 68 A HA . 15246 1 748 . 1 1 90 90 ALA HB1 H 1 1.433 0.006 . 1 . . . . 68 A HB1 . 15246 1 749 . 1 1 90 90 ALA HB2 H 1 1.433 0.006 . 1 . . . . 68 A HB1 . 15246 1 750 . 1 1 90 90 ALA HB3 H 1 1.433 0.006 . 1 . . . . 68 A HB1 . 15246 1 751 . 1 1 90 90 ALA C C 13 180.410 0.25 . 1 . . . . 68 A C . 15246 1 752 . 1 1 90 90 ALA CA C 13 54.782 0.25 . 1 . . . . 68 A CA . 15246 1 753 . 1 1 90 90 ALA CB C 13 17.857 0.25 . 1 . . . . 68 A CB . 15246 1 754 . 1 1 90 90 ALA N N 15 119.446 0.20 . 1 . . . . 68 A N . 15246 1 755 . 1 1 91 91 HIS H H 1 7.707 0.006 . 1 . . . . 69 H HN . 15246 1 756 . 1 1 91 91 HIS HA H 1 4.377 0.006 . 1 . . . . 69 H HA . 15246 1 757 . 1 1 91 91 HIS HB2 H 1 3.095 0.006 . 2 . . . . 69 H HB1 . 15246 1 758 . 1 1 91 91 HIS HB3 H 1 3.095 0.006 . 2 . . . . 69 H HB2 . 15246 1 759 . 1 1 91 91 HIS HD2 H 1 6.892 0.006 . 1 . . . . 69 H HD2 . 15246 1 760 . 1 1 91 91 HIS C C 13 177.865 0.25 . 1 . . . . 69 H C . 15246 1 761 . 1 1 91 91 HIS CA C 13 59.518 0.25 . 1 . . . . 69 H CA . 15246 1 762 . 1 1 91 91 HIS CB C 13 30.954 0.25 . 1 . . . . 69 H CB . 15246 1 763 . 1 1 91 91 HIS N N 15 116.881 0.20 . 1 . . . . 69 H N . 15246 1 764 . 1 1 92 92 MET H H 1 8.467 0.006 . 1 . . . . 70 M HN . 15246 1 765 . 1 1 92 92 MET HA H 1 4.087 0.006 . 1 . . . . 70 M HA . 15246 1 766 . 1 1 92 92 MET HB2 H 1 2.003 0.006 . 2 . . . . 70 M HB1 . 15246 1 767 . 1 1 92 92 MET HB3 H 1 1.515 0.006 . 2 . . . . 70 M HB2 . 15246 1 768 . 1 1 92 92 MET HG2 H 1 2.547 0.006 . 2 . . . . 70 M HG1 . 15246 1 769 . 1 1 92 92 MET HG3 H 1 2.240 0.006 . 2 . . . . 70 M HG2 . 15246 1 770 . 1 1 92 92 MET C C 13 178.390 0.25 . 1 . . . . 70 M C . 15246 1 771 . 1 1 92 92 MET CA C 13 55.584 0.25 . 1 . . . . 70 M CA . 15246 1 772 . 1 1 92 92 MET CB C 13 29.773 0.25 . 1 . . . . 70 M CB . 15246 1 773 . 1 1 92 92 MET CG C 13 31.733 0.25 . 1 . . . . 70 M CG . 15246 1 774 . 1 1 92 92 MET N N 15 116.968 0.20 . 1 . . . . 70 M N . 15246 1 775 . 1 1 93 93 GLN H H 1 8.309 0.006 . 1 . . . . 71 Q HN . 15246 1 776 . 1 1 93 93 GLN HA H 1 2.874 0.006 . 1 . . . . 71 Q HA . 15246 1 777 . 1 1 93 93 GLN HB2 H 1 1.720 0.006 . 2 . . . . 71 Q HB1 . 15246 1 778 . 1 1 93 93 GLN HB3 H 1 0.766 0.006 . 2 . . . . 71 Q HB2 . 15246 1 779 . 1 1 93 93 GLN HG2 H 1 1.858 0.006 . 2 . . . . 71 Q HG1 . 15246 1 780 . 1 1 93 93 GLN HG3 H 1 -0.214 0.006 . 2 . . . . 71 Q HG2 . 15246 1 781 . 1 1 93 93 GLN C C 13 178.420 0.25 . 1 . . . . 71 Q C . 15246 1 782 . 1 1 93 93 GLN CA C 13 58.852 0.25 . 1 . . . . 71 Q CA . 15246 1 783 . 1 1 93 93 GLN CB C 13 27.658 0.25 . 1 . . . . 71 Q CB . 15246 1 784 . 1 1 93 93 GLN CG C 13 34.522 0.25 . 1 . . . . 71 Q CG . 15246 1 785 . 1 1 93 93 GLN N N 15 120.665 0.20 . 1 . . . . 71 Q N . 15246 1 786 . 1 1 94 94 ASN H H 1 6.899 0.006 . 1 . . . . 72 N HN . 15246 1 787 . 1 1 94 94 ASN HA H 1 4.596 0.006 . 1 . . . . 72 N HA . 15246 1 788 . 1 1 94 94 ASN HB2 H 1 3.033 0.006 . 2 . . . . 72 N HB1 . 15246 1 789 . 1 1 94 94 ASN HB3 H 1 2.888 0.006 . 2 . . . . 72 N HB2 . 15246 1 790 . 1 1 94 94 ASN C C 13 177.380 0.25 . 1 . . . . 72 N C . 15246 1 791 . 1 1 94 94 ASN CA C 13 56.037 0.25 . 1 . . . . 72 N CA . 15246 1 792 . 1 1 94 94 ASN CB C 13 38.219 0.25 . 1 . . . . 72 N CB . 15246 1 793 . 1 1 94 94 ASN N N 15 116.271 0.20 . 1 . . . . 72 N N . 15246 1 794 . 1 1 95 95 VAL H H 1 8.050 0.006 . 1 . . . . 73 V HN . 15246 1 795 . 1 1 95 95 VAL HA H 1 3.983 0.006 . 1 . . . . 73 V HA . 15246 1 796 . 1 1 95 95 VAL HB H 1 1.930 0.006 . 1 . . . . 73 V HB . 15246 1 797 . 1 1 95 95 VAL HG11 H 1 0.932 0.006 . 2 . . . . 73 V HG11 . 15246 1 798 . 1 1 95 95 VAL HG12 H 1 0.932 0.006 . 2 . . . . 73 V HG11 . 15246 1 799 . 1 1 95 95 VAL HG13 H 1 0.932 0.006 . 2 . . . . 73 V HG11 . 15246 1 800 . 1 1 95 95 VAL HG21 H 1 0.716 0.006 . 2 . . . . 73 V HG21 . 15246 1 801 . 1 1 95 95 VAL HG22 H 1 0.716 0.006 . 2 . . . . 73 V HG21 . 15246 1 802 . 1 1 95 95 VAL HG23 H 1 0.716 0.006 . 2 . . . . 73 V HG21 . 15246 1 803 . 1 1 95 95 VAL C C 13 180.050 0.25 . 1 . . . . 73 V C . 15246 1 804 . 1 1 95 95 VAL CA C 13 66.515 0.25 . 1 . . . . 73 V CA . 15246 1 805 . 1 1 95 95 VAL CB C 13 32.587 0.25 . 1 . . . . 73 V CB . 15246 1 806 . 1 1 95 95 VAL CG1 C 13 21.195 0.25 . 1 . . . . 73 V CG1 . 15246 1 807 . 1 1 95 95 VAL CG2 C 13 22.655 0.25 . 1 . . . . 73 V CG2 . 15246 1 808 . 1 1 95 95 VAL N N 15 121.798 0.20 . 1 . . . . 73 V N . 15246 1 809 . 1 1 96 96 VAL H H 1 9.082 0.006 . 1 . . . . 74 V HN . 15246 1 810 . 1 1 96 96 VAL HA H 1 3.986 0.006 . 1 . . . . 74 V HA . 15246 1 811 . 1 1 96 96 VAL HB H 1 2.423 0.006 . 1 . . . . 74 V HB . 15246 1 812 . 1 1 96 96 VAL HG11 H 1 1.375 0.006 . 2 . . . . 74 V HG11 . 15246 1 813 . 1 1 96 96 VAL HG12 H 1 1.375 0.006 . 2 . . . . 74 V HG11 . 15246 1 814 . 1 1 96 96 VAL HG13 H 1 1.375 0.006 . 2 . . . . 74 V HG11 . 15246 1 815 . 1 1 96 96 VAL HG21 H 1 1.158 0.006 . 2 . . . . 74 V HG21 . 15246 1 816 . 1 1 96 96 VAL HG22 H 1 1.158 0.006 . 2 . . . . 74 V HG21 . 15246 1 817 . 1 1 96 96 VAL HG23 H 1 1.158 0.006 . 2 . . . . 74 V HG21 . 15246 1 818 . 1 1 96 96 VAL C C 13 177.490 0.25 . 1 . . . . 74 V C . 15246 1 819 . 1 1 96 96 VAL CA C 13 67.947 0.25 . 1 . . . . 74 V CA . 15246 1 820 . 1 1 96 96 VAL CB C 13 31.966 0.25 . 1 . . . . 74 V CB . 15246 1 821 . 1 1 96 96 VAL CG1 C 13 23.032 0.25 . 1 . . . . 74 V CG1 . 15246 1 822 . 1 1 96 96 VAL CG2 C 13 23.435 0.25 . 1 . . . . 74 V CG2 . 15246 1 823 . 1 1 96 96 VAL N N 15 120.549 0.20 . 1 . . . . 74 V N . 15246 1 824 . 1 1 97 97 ALA H H 1 8.285 0.006 . 1 . . . . 75 A HN . 15246 1 825 . 1 1 97 97 ALA HA H 1 4.108 0.006 . 1 . . . . 75 A HA . 15246 1 826 . 1 1 97 97 ALA HB1 H 1 1.838 0.006 . 1 . . . . 75 A HB1 . 15246 1 827 . 1 1 97 97 ALA HB2 H 1 1.838 0.006 . 1 . . . . 75 A HB1 . 15246 1 828 . 1 1 97 97 ALA HB3 H 1 1.838 0.006 . 1 . . . . 75 A HB1 . 15246 1 829 . 1 1 97 97 ALA C C 13 179.320 0.25 . 1 . . . . 75 A C . 15246 1 830 . 1 1 97 97 ALA CA C 13 56.117 0.25 . 1 . . . . 75 A CA . 15246 1 831 . 1 1 97 97 ALA CB C 13 19.867 0.25 . 1 . . . . 75 A CB . 15246 1 832 . 1 1 97 97 ALA N N 15 120.375 0.20 . 1 . . . . 75 A N . 15246 1 833 . 1 1 98 98 ASP H H 1 8.522 0.006 . 1 . . . . 76 D HN . 15246 1 834 . 1 1 98 98 ASP HA H 1 4.356 0.006 . 1 . . . . 76 D HA . 15246 1 835 . 1 1 98 98 ASP HB2 H 1 2.964 0.006 . 2 . . . . 76 D HB1 . 15246 1 836 . 1 1 98 98 ASP HB3 H 1 2.764 0.006 . 2 . . . . 76 D HB2 . 15246 1 837 . 1 1 98 98 ASP C C 13 179.100 0.25 . 1 . . . . 76 D C . 15246 1 838 . 1 1 98 98 ASP CA C 13 57.252 0.25 . 1 . . . . 76 D CA . 15246 1 839 . 1 1 98 98 ASP CB C 13 41.335 0.25 . 1 . . . . 76 D CB . 15246 1 840 . 1 1 98 98 ASP N N 15 116.871 0.20 . 1 . . . . 76 D N . 15246 1 841 . 1 1 99 99 HIS H H 1 8.162 0.006 . 1 . . . . 77 H HN . 15246 1 842 . 1 1 99 99 HIS HA H 1 3.847 0.006 . 1 . . . . 77 H HA . 15246 1 843 . 1 1 99 99 HIS HB2 H 1 3.073 0.006 . 2 . . . . 77 H HB1 . 15246 1 844 . 1 1 99 99 HIS HB3 H 1 2.519 0.006 . 2 . . . . 77 H HB2 . 15246 1 845 . 1 1 99 99 HIS HD2 H 1 6.536 0.006 . 1 . . . . 77 H HD2 . 15246 1 846 . 1 1 99 99 HIS C C 13 177.440 0.25 . 1 . . . . 77 H C . 15246 1 847 . 1 1 99 99 HIS CA C 13 61.636 0.25 . 1 . . . . 77 H CA . 15246 1 848 . 1 1 99 99 HIS CB C 13 29.328 0.25 . 1 . . . . 77 H CB . 15246 1 849 . 1 1 99 99 HIS N N 15 116.758 0.20 . 1 . . . . 77 H N . 15246 1 850 . 1 1 100 100 LEU H H 1 8.718 0.006 . 1 . . . . 78 L HN . 15246 1 851 . 1 1 100 100 LEU HA H 1 3.862 0.006 . 1 . . . . 78 L HA . 15246 1 852 . 1 1 100 100 LEU HB2 H 1 1.883 0.006 . 2 . . . . 78 L HB1 . 15246 1 853 . 1 1 100 100 LEU HB3 H 1 1.427 0.006 . 2 . . . . 78 L HB2 . 15246 1 854 . 1 1 100 100 LEU HD11 H 1 0.706 0.006 . 2 . . . . 78 L HD11 . 15246 1 855 . 1 1 100 100 LEU HD12 H 1 0.706 0.006 . 2 . . . . 78 L HD11 . 15246 1 856 . 1 1 100 100 LEU HD13 H 1 0.706 0.006 . 2 . . . . 78 L HD11 . 15246 1 857 . 1 1 100 100 LEU HD21 H 1 0.706 0.006 . 2 . . . . 78 L HD21 . 15246 1 858 . 1 1 100 100 LEU HD22 H 1 0.706 0.006 . 2 . . . . 78 L HD21 . 15246 1 859 . 1 1 100 100 LEU HD23 H 1 0.706 0.006 . 2 . . . . 78 L HD21 . 15246 1 860 . 1 1 100 100 LEU HG H 1 0.891 0.006 . 1 . . . . 78 L HG . 15246 1 861 . 1 1 100 100 LEU C C 13 177.720 0.25 . 1 . . . . 78 L C . 15246 1 862 . 1 1 100 100 LEU CA C 13 58.746 0.25 . 1 . . . . 78 L CA . 15246 1 863 . 1 1 100 100 LEU CB C 13 40.324 0.25 . 1 . . . . 78 L CB . 15246 1 864 . 1 1 100 100 LEU CD1 C 13 22.791 0.25 . 1 . . . . 78 L CD1 . 15246 1 865 . 1 1 100 100 LEU CD2 C 13 22.791 0.25 . 1 . . . . 78 L CD2 . 15246 1 866 . 1 1 100 100 LEU CG C 13 26.211 0.25 . 1 . . . . 78 L CG . 15246 1 867 . 1 1 100 100 LEU N N 15 120.332 0.20 . 1 . . . . 78 L N . 15246 1 868 . 1 1 101 101 GLN H H 1 8.167 0.006 . 1 . . . . 79 Q HN . 15246 1 869 . 1 1 101 101 GLN HA H 1 3.973 0.006 . 1 . . . . 79 Q HA . 15246 1 870 . 1 1 101 101 GLN HB2 H 1 2.263 0.006 . 2 . . . . 79 Q HB1 . 15246 1 871 . 1 1 101 101 GLN HB3 H 1 2.093 0.006 . 2 . . . . 79 Q HB2 . 15246 1 872 . 1 1 101 101 GLN HG2 H 1 2.451 0.006 . 2 . . . . 79 Q HG1 . 15246 1 873 . 1 1 101 101 GLN HG3 H 1 2.311 0.006 . 2 . . . . 79 Q HG2 . 15246 1 874 . 1 1 101 101 GLN C C 13 178.990 0.25 . 1 . . . . 79 Q C . 15246 1 875 . 1 1 101 101 GLN CA C 13 58.359 0.25 . 1 . . . . 79 Q CA . 15246 1 876 . 1 1 101 101 GLN CB C 13 29.575 0.25 . 1 . . . . 79 Q CB . 15246 1 877 . 1 1 101 101 GLN CG C 13 34.482 0.25 . 1 . . . . 79 Q CG . 15246 1 878 . 1 1 101 101 GLN N N 15 115.715 0.20 . 1 . . . . 79 Q N . 15246 1 879 . 1 1 102 102 ARG H H 1 7.835 0.006 . 1 . . . . 80 R HN . 15246 1 880 . 1 1 102 102 ARG HA H 1 3.990 0.006 . 1 . . . . 80 R HA . 15246 1 881 . 1 1 102 102 ARG HB2 H 1 1.770 0.006 . 2 . . . . 80 R HB1 . 15246 1 882 . 1 1 102 102 ARG HB3 H 1 1.770 0.006 . 2 . . . . 80 R HB2 . 15246 1 883 . 1 1 102 102 ARG HD2 H 1 3.001 0.006 . 2 . . . . 80 R HD1 . 15246 1 884 . 1 1 102 102 ARG HD3 H 1 2.831 0.006 . 2 . . . . 80 R HD2 . 15246 1 885 . 1 1 102 102 ARG HG2 H 1 1.718 0.006 . 2 . . . . 80 R HG1 . 15246 1 886 . 1 1 102 102 ARG HG3 H 1 1.516 0.006 . 2 . . . . 80 R HG2 . 15246 1 887 . 1 1 102 102 ARG C C 13 178.540 0.25 . 1 . . . . 80 R C . 15246 1 888 . 1 1 102 102 ARG CA C 13 58.789 0.25 . 1 . . . . 80 R CA . 15246 1 889 . 1 1 102 102 ARG CB C 13 30.218 0.25 . 1 . . . . 80 R CB . 15246 1 890 . 1 1 102 102 ARG CD C 13 43.638 0.25 . 1 . . . . 80 R CD . 15246 1 891 . 1 1 102 102 ARG CG C 13 27.699 0.25 . 1 . . . . 80 R CG . 15246 1 892 . 1 1 102 102 ARG N N 15 118.207 0.20 . 1 . . . . 80 R N . 15246 1 893 . 1 1 103 103 MET H H 1 7.645 0.006 . 1 . . . . 81 M HN . 15246 1 894 . 1 1 103 103 MET HA H 1 4.353 0.006 . 1 . . . . 81 M HA . 15246 1 895 . 1 1 103 103 MET HB2 H 1 2.103 0.006 . 2 . . . . 81 M HB1 . 15246 1 896 . 1 1 103 103 MET HB3 H 1 1.822 0.006 . 2 . . . . 81 M HB2 . 15246 1 897 . 1 1 103 103 MET HG2 H 1 2.841 0.006 . 2 . . . . 81 M HG1 . 15246 1 898 . 1 1 103 103 MET HG3 H 1 2.435 0.006 . 2 . . . . 81 M HG2 . 15246 1 899 . 1 1 103 103 MET C C 13 176.300 0.25 . 1 . . . . 81 M C . 15246 1 900 . 1 1 103 103 MET CA C 13 55.646 0.25 . 1 . . . . 81 M CA . 15246 1 901 . 1 1 103 103 MET CB C 13 32.620 0.25 . 1 . . . . 81 M CB . 15246 1 902 . 1 1 103 103 MET CG C 13 32.864 0.25 . 1 . . . . 81 M CG . 15246 1 903 . 1 1 103 103 MET N N 15 116.250 0.20 . 1 . . . . 81 M N . 15246 1 904 . 1 1 104 104 ALA H H 1 7.324 0.006 . 1 . . . . 82 A HN . 15246 1 905 . 1 1 104 104 ALA HA H 1 4.386 0.006 . 1 . . . . 82 A HA . 15246 1 906 . 1 1 104 104 ALA HB1 H 1 0.913 0.006 . 1 . . . . 82 A HB1 . 15246 1 907 . 1 1 104 104 ALA HB2 H 1 0.913 0.006 . 1 . . . . 82 A HB1 . 15246 1 908 . 1 1 104 104 ALA HB3 H 1 0.913 0.006 . 1 . . . . 82 A HB1 . 15246 1 909 . 1 1 104 104 ALA CA C 13 51.004 0.25 . 1 . . . . 82 A CA . 15246 1 910 . 1 1 104 104 ALA CB C 13 17.678 0.25 . 1 . . . . 82 A CB . 15246 1 911 . 1 1 104 104 ALA N N 15 123.602 0.20 . 1 . . . . 82 A N . 15246 1 912 . 1 1 106 106 SER HA H 1 4.610 0.006 . 1 . . . . 84 S HA . 15246 1 913 . 1 1 106 106 SER HB2 H 1 4.050 0.006 . 2 . . . . 84 S HB1 . 15246 1 914 . 1 1 106 106 SER HB3 H 1 3.895 0.006 . 2 . . . . 84 S HB2 . 15246 1 915 . 1 1 106 106 SER C C 13 173.480 0.25 . 1 . . . . 84 S C . 15246 1 916 . 1 1 106 106 SER CA C 13 58.041 0.25 . 1 . . . . 84 S CA . 15246 1 917 . 1 1 106 106 SER CB C 13 64.139 0.25 . 1 . . . . 84 S CB . 15246 1 918 . 1 1 107 107 GLU H H 1 7.443 0.006 . 1 . . . . 85 E HN . 15246 1 919 . 1 1 107 107 GLU HA H 1 4.640 0.006 . 1 . . . . 85 E HA . 15246 1 920 . 1 1 107 107 GLU HB2 H 1 1.958 0.006 . 2 . . . . 85 E HB1 . 15246 1 921 . 1 1 107 107 GLU HB3 H 1 1.958 0.006 . 2 . . . . 85 E HB2 . 15246 1 922 . 1 1 107 107 GLU HG2 H 1 2.176 0.006 . 2 . . . . 85 E HG1 . 15246 1 923 . 1 1 107 107 GLU HG3 H 1 2.176 0.006 . 2 . . . . 85 E HG2 . 15246 1 924 . 1 1 107 107 GLU CA C 13 55.058 0.25 . 1 . . . . 85 E CA . 15246 1 925 . 1 1 107 107 GLU CB C 13 32.203 0.25 . 1 . . . . 85 E CB . 15246 1 926 . 1 1 107 107 GLU CG C 13 35.322 0.25 . 1 . . . . 85 E CG . 15246 1 927 . 1 1 107 107 GLU N N 15 119.316 0.20 . 1 . . . . 85 E N . 15246 1 928 . 1 1 108 108 SER HA H 1 4.549 0.006 . 1 . . . . 86 S HA . 15246 1 929 . 1 1 108 108 SER HB2 H 1 3.892 0.006 . 2 . . . . 86 S HB1 . 15246 1 930 . 1 1 108 108 SER HB3 H 1 3.775 0.006 . 2 . . . . 86 S HB2 . 15246 1 931 . 1 1 108 108 SER C C 13 174.220 0.25 . 1 . . . . 86 S C . 15246 1 932 . 1 1 108 108 SER CA C 13 57.291 0.25 . 1 . . . . 86 S CA . 15246 1 933 . 1 1 108 108 SER CB C 13 62.819 0.25 . 1 . . . . 86 S CB . 15246 1 934 . 1 1 109 109 LEU H H 1 9.011 0.006 . 1 . . . . 87 L HN . 15246 1 935 . 1 1 109 109 LEU HA H 1 4.606 0.006 . 1 . . . . 87 L HA . 15246 1 936 . 1 1 109 109 LEU HB2 H 1 1.581 0.006 . 2 . . . . 87 L HB1 . 15246 1 937 . 1 1 109 109 LEU HB3 H 1 1.007 0.006 . 2 . . . . 87 L HB2 . 15246 1 938 . 1 1 109 109 LEU HD11 H 1 0.814 0.006 . 2 . . . . 87 L HD11 . 15246 1 939 . 1 1 109 109 LEU HD12 H 1 0.814 0.006 . 2 . . . . 87 L HD11 . 15246 1 940 . 1 1 109 109 LEU HD13 H 1 0.814 0.006 . 2 . . . . 87 L HD11 . 15246 1 941 . 1 1 109 109 LEU HD21 H 1 0.814 0.006 . 2 . . . . 87 L HD21 . 15246 1 942 . 1 1 109 109 LEU HD22 H 1 0.814 0.006 . 2 . . . . 87 L HD21 . 15246 1 943 . 1 1 109 109 LEU HD23 H 1 0.814 0.006 . 2 . . . . 87 L HD21 . 15246 1 944 . 1 1 109 109 LEU HG H 1 0.511 0.006 . 1 . . . . 87 L HG . 15246 1 945 . 1 1 109 109 LEU C C 13 176.720 0.25 . 1 . . . . 87 L C . 15246 1 946 . 1 1 109 109 LEU CA C 13 54.024 0.25 . 1 . . . . 87 L CA . 15246 1 947 . 1 1 109 109 LEU CB C 13 43.358 0.25 . 1 . . . . 87 L CB . 15246 1 948 . 1 1 109 109 LEU CD1 C 13 22.190 0.25 . 1 . . . . 87 L CD1 . 15246 1 949 . 1 1 109 109 LEU CD2 C 13 22.190 0.25 . 1 . . . . 87 L CD2 . 15246 1 950 . 1 1 109 109 LEU CG C 13 26.282 0.25 . 1 . . . . 87 L CG . 15246 1 951 . 1 1 109 109 LEU N N 15 126.582 0.20 . 1 . . . . 87 L N . 15246 1 952 . 1 1 110 110 GLU H H 1 8.530 0.006 . 1 . . . . 88 E HN . 15246 1 953 . 1 1 110 110 GLU HA H 1 4.541 0.006 . 1 . . . . 88 E HA . 15246 1 954 . 1 1 110 110 GLU HB2 H 1 1.963 0.006 . 2 . . . . 88 E HB1 . 15246 1 955 . 1 1 110 110 GLU HB3 H 1 1.963 0.006 . 2 . . . . 88 E HB2 . 15246 1 956 . 1 1 110 110 GLU HG2 H 1 2.224 0.006 . 2 . . . . 88 E HG1 . 15246 1 957 . 1 1 110 110 GLU HG3 H 1 2.140 0.006 . 2 . . . . 88 E HG2 . 15246 1 958 . 1 1 110 110 GLU C C 13 175.340 0.25 . 1 . . . . 88 E C . 15246 1 959 . 1 1 110 110 GLU CA C 13 55.555 0.25 . 1 . . . . 88 E CA . 15246 1 960 . 1 1 110 110 GLU CB C 13 29.970 0.25 . 1 . . . . 88 E CB . 15246 1 961 . 1 1 110 110 GLU CG C 13 36.003 0.25 . 1 . . . . 88 E CG . 15246 1 962 . 1 1 110 110 GLU N N 15 123.263 0.20 . 1 . . . . 88 E N . 15246 1 963 . 1 1 111 111 ILE H H 1 8.842 0.006 . 1 . . . . 89 I HN . 15246 1 964 . 1 1 111 111 ILE HA H 1 3.911 0.006 . 1 . . . . 89 I HA . 15246 1 965 . 1 1 111 111 ILE HB H 1 1.713 0.006 . 1 . . . . 89 I HB . 15246 1 966 . 1 1 111 111 ILE HD11 H 1 0.894 0.006 . 1 . . . . 89 I HD11 . 15246 1 967 . 1 1 111 111 ILE HD12 H 1 0.894 0.006 . 1 . . . . 89 I HD11 . 15246 1 968 . 1 1 111 111 ILE HD13 H 1 0.894 0.006 . 1 . . . . 89 I HD11 . 15246 1 969 . 1 1 111 111 ILE HG12 H 1 1.279 0.006 . 1 . . . . 89 I HG11 . 15246 1 970 . 1 1 111 111 ILE HG13 H 1 0.712 0.006 . 1 . . . . 89 I HG12 . 15246 1 971 . 1 1 111 111 ILE HG21 H 1 0.352 0.006 . 1 . . . . 89 I HG21 . 15246 1 972 . 1 1 111 111 ILE HG22 H 1 0.352 0.006 . 1 . . . . 89 I HG21 . 15246 1 973 . 1 1 111 111 ILE HG23 H 1 0.352 0.006 . 1 . . . . 89 I HG21 . 15246 1 974 . 1 1 111 111 ILE C C 13 173.250 0.25 . 1 . . . . 89 I C . 15246 1 975 . 1 1 111 111 ILE CA C 13 61.207 0.25 . 1 . . . . 89 I CA . 15246 1 976 . 1 1 111 111 ILE CB C 13 38.989 0.25 . 1 . . . . 89 I CB . 15246 1 977 . 1 1 111 111 ILE CD1 C 13 15.534 0.25 . 1 . . . . 89 I CD1 . 15246 1 978 . 1 1 111 111 ILE CG1 C 13 26.866 0.25 . 1 . . . . 89 I CG1 . 15246 1 979 . 1 1 111 111 ILE CG2 C 13 16.807 0.25 . 1 . . . . 89 I CG2 . 15246 1 980 . 1 1 111 111 ILE N N 15 128.558 0.20 . 1 . . . . 89 I N . 15246 1 981 . 1 1 112 112 ALA H H 1 8.651 0.006 . 1 . . . . 90 A HN . 15246 1 982 . 1 1 112 112 ALA HA H 1 4.733 0.006 . 1 . . . . 90 A HA . 15246 1 983 . 1 1 112 112 ALA HB1 H 1 1.370 0.006 . 1 . . . . 90 A HB1 . 15246 1 984 . 1 1 112 112 ALA HB2 H 1 1.370 0.006 . 1 . . . . 90 A HB1 . 15246 1 985 . 1 1 112 112 ALA HB3 H 1 1.370 0.006 . 1 . . . . 90 A HB1 . 15246 1 986 . 1 1 112 112 ALA C C 13 177.040 0.25 . 1 . . . . 90 A C . 15246 1 987 . 1 1 112 112 ALA CA C 13 50.598 0.25 . 1 . . . . 90 A CA . 15246 1 988 . 1 1 112 112 ALA CB C 13 21.517 0.25 . 1 . . . . 90 A CB . 15246 1 989 . 1 1 112 112 ALA N N 15 131.215 0.20 . 1 . . . . 90 A N . 15246 1 990 . 1 1 113 113 TRP H H 1 9.084 0.006 . 1 . . . . 91 W HN . 15246 1 991 . 1 1 113 113 TRP HA H 1 5.129 0.006 . 1 . . . . 91 W HA . 15246 1 992 . 1 1 113 113 TRP HB2 H 1 3.172 0.006 . 2 . . . . 91 W HB1 . 15246 1 993 . 1 1 113 113 TRP HB3 H 1 2.867 0.006 . 2 . . . . 91 W HB2 . 15246 1 994 . 1 1 113 113 TRP HD1 H 1 6.483 0.006 . 1 . . . . 91 W HD1 . 15246 1 995 . 1 1 113 113 TRP HE1 H 1 8.940 0.006 . 1 . . . . 91 W HE1 . 15246 1 996 . 1 1 113 113 TRP C C 13 176.725 0.25 . 1 . . . . 91 W C . 15246 1 997 . 1 1 113 113 TRP CA C 13 56.263 0.25 . 1 . . . . 91 W CA . 15246 1 998 . 1 1 113 113 TRP CB C 13 31.282 0.25 . 1 . . . . 91 W CB . 15246 1 999 . 1 1 113 113 TRP N N 15 125.391 0.20 . 1 . . . . 91 W N . 15246 1 1000 . 1 1 113 113 TRP NE1 N 15 127.462 0.20 . 1 . . . . 91 W NE1 . 15246 1 1001 . 1 1 114 114 GLN H H 1 9.712 0.006 . 1 . . . . 92 Q HN . 15246 1 1002 . 1 1 114 114 GLN HA H 1 5.078 0.006 . 1 . . . . 92 Q HA . 15246 1 1003 . 1 1 114 114 GLN HB2 H 1 2.235 0.006 . 2 . . . . 92 Q HB1 . 15246 1 1004 . 1 1 114 114 GLN HB3 H 1 2.136 0.006 . 2 . . . . 92 Q HB2 . 15246 1 1005 . 1 1 114 114 GLN HG2 H 1 2.470 0.006 . 2 . . . . 92 Q HG1 . 15246 1 1006 . 1 1 114 114 GLN HG3 H 1 2.470 0.006 . 2 . . . . 92 Q HG2 . 15246 1 1007 . 1 1 114 114 GLN CA C 13 52.872 0.25 . 1 . . . . 92 Q CA . 15246 1 1008 . 1 1 114 114 GLN CB C 13 30.288 0.25 . 1 . . . . 92 Q CB . 15246 1 1009 . 1 1 114 114 GLN CG C 13 33.680 0.25 . 1 . . . . 92 Q CG . 15246 1 1010 . 1 1 114 114 GLN N N 15 122.696 0.20 . 1 . . . . 92 Q N . 15246 1 1011 . 1 1 115 115 PRO HA H 1 4.689 0.006 . 1 . . . . 93 P HA . 15246 1 1012 . 1 1 115 115 PRO HB2 H 1 2.522 0.006 . 2 . . . . 93 P HB1 . 15246 1 1013 . 1 1 115 115 PRO HB3 H 1 2.039 0.006 . 2 . . . . 93 P HB2 . 15246 1 1014 . 1 1 115 115 PRO HD2 H 1 3.966 0.006 . 2 . . . . 93 P HD1 . 15246 1 1015 . 1 1 115 115 PRO HD3 H 1 3.848 0.006 . 2 . . . . 93 P HD2 . 15246 1 1016 . 1 1 115 115 PRO HG2 H 1 2.198 0.006 . 2 . . . . 93 P HG1 . 15246 1 1017 . 1 1 115 115 PRO HG3 H 1 2.152 0.006 . 2 . . . . 93 P HG2 . 15246 1 1018 . 1 1 115 115 PRO C C 13 176.690 0.25 . 1 . . . . 93 P C . 15246 1 1019 . 1 1 115 115 PRO CA C 13 63.246 0.25 . 1 . . . . 93 P CA . 15246 1 1020 . 1 1 115 115 PRO CB C 13 32.152 0.25 . 1 . . . . 93 P CB . 15246 1 1021 . 1 1 115 115 PRO CD C 13 51.058 0.25 . 1 . . . . 93 P CD . 15246 1 1022 . 1 1 115 115 PRO CG C 13 27.563 0.25 . 1 . . . . 93 P CG . 15246 1 1023 . 1 1 116 116 ALA H H 1 8.429 0.006 . 1 . . . . 94 A HN . 15246 1 1024 . 1 1 116 116 ALA HA H 1 4.615 0.006 . 1 . . . . 94 A HA . 15246 1 1025 . 1 1 116 116 ALA HB1 H 1 1.412 0.006 . 1 . . . . 94 A HB1 . 15246 1 1026 . 1 1 116 116 ALA HB2 H 1 1.412 0.006 . 1 . . . . 94 A HB1 . 15246 1 1027 . 1 1 116 116 ALA HB3 H 1 1.412 0.006 . 1 . . . . 94 A HB1 . 15246 1 1028 . 1 1 116 116 ALA C C 13 177.230 0.25 . 1 . . . . 94 A C . 15246 1 1029 . 1 1 116 116 ALA CA C 13 51.966 0.25 . 1 . . . . 94 A CA . 15246 1 1030 . 1 1 116 116 ALA CB C 13 20.497 0.25 . 1 . . . . 94 A CB . 15246 1 1031 . 1 1 116 116 ALA N N 15 125.566 0.20 . 1 . . . . 94 A N . 15246 1 1032 . 1 1 117 117 GLU H H 1 8.754 0.006 . 1 . . . . 95 E HN . 15246 1 1033 . 1 1 117 117 GLU HA H 1 4.479 0.006 . 1 . . . . 95 E HA . 15246 1 1034 . 1 1 117 117 GLU HB2 H 1 2.139 0.006 . 2 . . . . 95 E HB1 . 15246 1 1035 . 1 1 117 117 GLU HB3 H 1 2.009 0.006 . 2 . . . . 95 E HB2 . 15246 1 1036 . 1 1 117 117 GLU HG2 H 1 2.356 0.006 . 2 . . . . 95 E HG1 . 15246 1 1037 . 1 1 117 117 GLU HG3 H 1 2.356 0.006 . 2 . . . . 95 E HG2 . 15246 1 1038 . 1 1 117 117 GLU CA C 13 56.146 0.25 . 1 . . . . 95 E CA . 15246 1 1039 . 1 1 117 117 GLU CB C 13 30.856 0.25 . 1 . . . . 95 E CB . 15246 1 1040 . 1 1 117 117 GLU CG C 13 36.223 0.25 . 1 . . . . 95 E CG . 15246 1 1041 . 1 1 117 117 GLU N N 15 121.044 0.20 . 1 . . . . 95 E N . 15246 1 stop_ save_