data_27853 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27853 _Entry.Title ; NMR resonance assignments for the GSPII-B domain of the traffic ATPase PilF from Thermus thermophilus in the apo and c-di-GMP-bound states ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-26 _Entry.Accession_date 2019-03-26 _Entry.Last_release_date 2019-03-26 _Entry.Original_release_date 2019-03-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Konstantin Neissner . . . . 27853 2 Heiko Keller . . . . 27853 3 Carolin Hacker . . . . 27853 4 Elke Durchardt-Ferner . . . . 27853 5 Jens Woehnert . . . . 27853 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Woehnert Group' . 27853 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27853 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 658 27853 '15N chemical shifts' 147 27853 '1H chemical shifts' 1071 27853 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-11-22 . original BMRB . 27853 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27852 'apo tate PilF159-302' 27853 stop_ save_ ############### # Citations # ############### save_Letter _Citation.Sf_category citations _Citation.Sf_framecode Letter _Citation.Entry_ID 27853 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31432400 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments for the GSPII-B domain of the traffic ATPase PilF from Thermus thermophilus in the apo and the c-di-GMP-bound state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 13 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 383 _Citation.Page_last 390 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Konstantin Neissner K. . . . 27853 1 2 Heiko Keller H. . . . 27853 1 3 Elke Duchardt-Ferner E. . . . 27853 1 4 Carolin Hacker C. . . . 27853 1 5 Kerstin Kruse K. . . . 27853 1 6 Beate Averhoff B. . . . 27853 1 7 Jens Wohnert J. . . . 27853 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR-assignment 27853 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27853 _Assembly.ID 1 _Assembly.Name 'c-di-GMP bound PilF159-302' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17650 _Assembly.Enzyme_commission_number . _Assembly.Details ; Ligand-protein-complex. There are hydrogen bonds between ligand with residues 168 Leu and 197 Leu. ; _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 PilF159-302 1 $PilF159-302 A . yes native no no . . . 27853 1 2 c-di-GMP 2 $entity_C2E B . no native no no . . . 27853 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PilF159-302 _Entity.Sf_category entity _Entity.Sf_framecode PilF159-302 _Entity.Entry_ID 27853 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PilF159-302 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGEGQKDLKLGELLLQKG WISREALEEALVEQEKTGDL LGRILVRKGLPEEALYRALA EQKGLEFLESTEGIVPDPSA ALLLLRSDALRYGAVPIGFQ NGEVEVVLSDPRHKEAVAQL LNRPARFYLALPQAWEELFR RAYPQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first two residues (G,S) remain from TEV-cleavage of a N-terminal His6-Tag.' _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27853 1 2 . SER . 27853 1 3 . SER . 27853 1 4 . GLY . 27853 1 5 . GLU . 27853 1 6 . GLY . 27853 1 7 . GLN . 27853 1 8 . LYS . 27853 1 9 . ASP . 27853 1 10 . LEU . 27853 1 11 . LYS . 27853 1 12 . LEU . 27853 1 13 . GLY . 27853 1 14 . GLU . 27853 1 15 . LEU . 27853 1 16 . LEU . 27853 1 17 . LEU . 27853 1 18 . GLN . 27853 1 19 . LYS . 27853 1 20 . GLY . 27853 1 21 . TRP . 27853 1 22 . ILE . 27853 1 23 . SER . 27853 1 24 . ARG . 27853 1 25 . GLU . 27853 1 26 . ALA . 27853 1 27 . LEU . 27853 1 28 . GLU . 27853 1 29 . GLU . 27853 1 30 . ALA . 27853 1 31 . LEU . 27853 1 32 . VAL . 27853 1 33 . GLU . 27853 1 34 . GLN . 27853 1 35 . GLU . 27853 1 36 . LYS . 27853 1 37 . THR . 27853 1 38 . GLY . 27853 1 39 . ASP . 27853 1 40 . LEU . 27853 1 41 . LEU . 27853 1 42 . GLY . 27853 1 43 . ARG . 27853 1 44 . ILE . 27853 1 45 . LEU . 27853 1 46 . VAL . 27853 1 47 . ARG . 27853 1 48 . LYS . 27853 1 49 . GLY . 27853 1 50 . LEU . 27853 1 51 . PRO . 27853 1 52 . GLU . 27853 1 53 . GLU . 27853 1 54 . ALA . 27853 1 55 . LEU . 27853 1 56 . TYR . 27853 1 57 . ARG . 27853 1 58 . ALA . 27853 1 59 . LEU . 27853 1 60 . ALA . 27853 1 61 . GLU . 27853 1 62 . GLN . 27853 1 63 . LYS . 27853 1 64 . GLY . 27853 1 65 . LEU . 27853 1 66 . GLU . 27853 1 67 . PHE . 27853 1 68 . LEU . 27853 1 69 . GLU . 27853 1 70 . SER . 27853 1 71 . THR . 27853 1 72 . GLU . 27853 1 73 . GLY . 27853 1 74 . ILE . 27853 1 75 . VAL . 27853 1 76 . PRO . 27853 1 77 . ASP . 27853 1 78 . PRO . 27853 1 79 . SER . 27853 1 80 . ALA . 27853 1 81 . ALA . 27853 1 82 . LEU . 27853 1 83 . LEU . 27853 1 84 . LEU . 27853 1 85 . LEU . 27853 1 86 . ARG . 27853 1 87 . SER . 27853 1 88 . ASP . 27853 1 89 . ALA . 27853 1 90 . LEU . 27853 1 91 . ARG . 27853 1 92 . TYR . 27853 1 93 . GLY . 27853 1 94 . ALA . 27853 1 95 . VAL . 27853 1 96 . PRO . 27853 1 97 . ILE . 27853 1 98 . GLY . 27853 1 99 . PHE . 27853 1 100 . GLN . 27853 1 101 . ASN . 27853 1 102 . GLY . 27853 1 103 . GLU . 27853 1 104 . VAL . 27853 1 105 . GLU . 27853 1 106 . VAL . 27853 1 107 . VAL . 27853 1 108 . LEU . 27853 1 109 . SER . 27853 1 110 . ASP . 27853 1 111 . PRO . 27853 1 112 . ARG . 27853 1 113 . HIS . 27853 1 114 . LYS . 27853 1 115 . GLU . 27853 1 116 . ALA . 27853 1 117 . VAL . 27853 1 118 . ALA . 27853 1 119 . GLN . 27853 1 120 . LEU . 27853 1 121 . LEU . 27853 1 122 . ASN . 27853 1 123 . ARG . 27853 1 124 . PRO . 27853 1 125 . ALA . 27853 1 126 . ARG . 27853 1 127 . PHE . 27853 1 128 . TYR . 27853 1 129 . LEU . 27853 1 130 . ALA . 27853 1 131 . LEU . 27853 1 132 . PRO . 27853 1 133 . GLN . 27853 1 134 . ALA . 27853 1 135 . TRP . 27853 1 136 . GLU . 27853 1 137 . GLU . 27853 1 138 . LEU . 27853 1 139 . PHE . 27853 1 140 . ARG . 27853 1 141 . ARG . 27853 1 142 . ALA . 27853 1 143 . TYR . 27853 1 144 . PRO . 27853 1 145 . GLN . 27853 1 146 . LYS . 27853 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27853 1 . SER 2 2 27853 1 . SER 3 3 27853 1 . GLY 4 4 27853 1 . GLU 5 5 27853 1 . GLY 6 6 27853 1 . GLN 7 7 27853 1 . LYS 8 8 27853 1 . ASP 9 9 27853 1 . LEU 10 10 27853 1 . LYS 11 11 27853 1 . LEU 12 12 27853 1 . GLY 13 13 27853 1 . GLU 14 14 27853 1 . LEU 15 15 27853 1 . LEU 16 16 27853 1 . LEU 17 17 27853 1 . GLN 18 18 27853 1 . LYS 19 19 27853 1 . GLY 20 20 27853 1 . TRP 21 21 27853 1 . ILE 22 22 27853 1 . SER 23 23 27853 1 . ARG 24 24 27853 1 . GLU 25 25 27853 1 . ALA 26 26 27853 1 . LEU 27 27 27853 1 . GLU 28 28 27853 1 . GLU 29 29 27853 1 . ALA 30 30 27853 1 . LEU 31 31 27853 1 . VAL 32 32 27853 1 . GLU 33 33 27853 1 . GLN 34 34 27853 1 . GLU 35 35 27853 1 . LYS 36 36 27853 1 . THR 37 37 27853 1 . GLY 38 38 27853 1 . ASP 39 39 27853 1 . LEU 40 40 27853 1 . LEU 41 41 27853 1 . GLY 42 42 27853 1 . ARG 43 43 27853 1 . ILE 44 44 27853 1 . LEU 45 45 27853 1 . VAL 46 46 27853 1 . ARG 47 47 27853 1 . LYS 48 48 27853 1 . GLY 49 49 27853 1 . LEU 50 50 27853 1 . PRO 51 51 27853 1 . GLU 52 52 27853 1 . GLU 53 53 27853 1 . ALA 54 54 27853 1 . LEU 55 55 27853 1 . TYR 56 56 27853 1 . ARG 57 57 27853 1 . ALA 58 58 27853 1 . LEU 59 59 27853 1 . ALA 60 60 27853 1 . GLU 61 61 27853 1 . GLN 62 62 27853 1 . LYS 63 63 27853 1 . GLY 64 64 27853 1 . LEU 65 65 27853 1 . GLU 66 66 27853 1 . PHE 67 67 27853 1 . LEU 68 68 27853 1 . GLU 69 69 27853 1 . SER 70 70 27853 1 . THR 71 71 27853 1 . GLU 72 72 27853 1 . GLY 73 73 27853 1 . ILE 74 74 27853 1 . VAL 75 75 27853 1 . PRO 76 76 27853 1 . ASP 77 77 27853 1 . PRO 78 78 27853 1 . SER 79 79 27853 1 . ALA 80 80 27853 1 . ALA 81 81 27853 1 . LEU 82 82 27853 1 . LEU 83 83 27853 1 . LEU 84 84 27853 1 . LEU 85 85 27853 1 . ARG 86 86 27853 1 . SER 87 87 27853 1 . ASP 88 88 27853 1 . ALA 89 89 27853 1 . LEU 90 90 27853 1 . ARG 91 91 27853 1 . TYR 92 92 27853 1 . GLY 93 93 27853 1 . ALA 94 94 27853 1 . VAL 95 95 27853 1 . PRO 96 96 27853 1 . ILE 97 97 27853 1 . GLY 98 98 27853 1 . PHE 99 99 27853 1 . GLN 100 100 27853 1 . ASN 101 101 27853 1 . GLY 102 102 27853 1 . GLU 103 103 27853 1 . VAL 104 104 27853 1 . GLU 105 105 27853 1 . VAL 106 106 27853 1 . VAL 107 107 27853 1 . LEU 108 108 27853 1 . SER 109 109 27853 1 . ASP 110 110 27853 1 . PRO 111 111 27853 1 . ARG 112 112 27853 1 . HIS 113 113 27853 1 . LYS 114 114 27853 1 . GLU 115 115 27853 1 . ALA 116 116 27853 1 . VAL 117 117 27853 1 . ALA 118 118 27853 1 . GLN 119 119 27853 1 . LEU 120 120 27853 1 . LEU 121 121 27853 1 . ASN 122 122 27853 1 . ARG 123 123 27853 1 . PRO 124 124 27853 1 . ALA 125 125 27853 1 . ARG 126 126 27853 1 . PHE 127 127 27853 1 . TYR 128 128 27853 1 . LEU 129 129 27853 1 . ALA 130 130 27853 1 . LEU 131 131 27853 1 . PRO 132 132 27853 1 . GLN 133 133 27853 1 . ALA 134 134 27853 1 . TRP 135 135 27853 1 . GLU 136 136 27853 1 . GLU 137 137 27853 1 . LEU 138 138 27853 1 . PHE 139 139 27853 1 . ARG 140 140 27853 1 . ARG 141 141 27853 1 . ALA 142 142 27853 1 . TYR 143 143 27853 1 . PRO 144 144 27853 1 . GLN 145 145 27853 1 . LYS 146 146 27853 1 stop_ save_ save_entity_C2E _Entity.Sf_category entity _Entity.Sf_framecode entity_C2E _Entity.Entry_ID 27853 _Entity.ID 2 _Entity.BMRB_code C2E _Entity.Name entity_C2E _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID C2E _Entity.Nonpolymer_comp_label $chem_comp_C2E _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 690.411 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; BMRB 27853 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; BMRB 27853 2 C2E 'Three letter code' 27853 2 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 1 C2E $chem_comp_C2E 27853 2 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 27853 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PilF159-302 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 27853 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 27853 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PilF159-302 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-11a_PilF159-302 . . . 27853 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_C2E _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_C2E _Chem_comp.Entry_ID 27853 _Chem_comp.ID C2E _Chem_comp.Provenance PDB _Chem_comp.Name ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code C2E _Chem_comp.PDB_code C2E _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code C2E _Chem_comp.Number_atoms_all 70 _Chem_comp.Number_atoms_nh 46 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'c-di-GMP, Cyclic diguanosine monophosphate' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C20 H24 N10 O14 P2' _Chem_comp.Formula_weight 690.411 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2RDE _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 ; InChI InChI 1.03 27853 C2E NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]5[C@@H](O)[C@@H](O[C@@H]5CO[P](O)(=O)O[C@H]4[C@H]3O)n6cnc7C(=O)NC(=Nc67)N SMILES_CANONICAL CACTVS 3.352 27853 C2E NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7C(=O)NC(=Nc67)N SMILES CACTVS 3.352 27853 C2E O=C7NC(=Nc1c7ncn1C6OC5COP(=O)(OC4C(OC(n2c3N=C(N)NC(=O)c3nc2)C4O)COP(=O)(O)OC5C6O)O)N SMILES ACDLabs 11.02 27853 C2E PKFDLKSEZWEFGL-MHARETSRSA-N InChIKey InChI 1.03 27853 C2E c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.0 27853 C2E ; c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 27853 C2E stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; 'SYSTEMATIC NAME' ACDLabs 11.02 27853 C2E stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P1 P1 P1 P1 . P . . N 0 . . . 1 no no . . . . 2.904 . -21.000 . -7.328 . 0.818 2.310 0.549 1 . 27853 C2E O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 2.614 . -20.463 . -5.950 . 1.042 2.707 -0.994 2 . 27853 C2E O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 2.870 . -22.498 . -7.405 . 0.594 3.536 1.347 3 . 27853 C2E O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 1.861 . -20.471 . -8.398 . -0.465 1.347 0.674 4 . 27853 C2E C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 1.971 . -20.901 . -9.750 . -1.805 1.794 0.465 5 . 27853 C2E C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 0.899 . -20.225 . -10.577 . -2.785 0.799 1.090 6 . 27853 C2E O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . -0.389 . -20.452 . -9.994 . -4.110 1.332 1.035 7 . 27853 C2E C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 1.063 . -18.717 . -10.636 . -2.778 -0.516 0.295 8 . 27853 C2E O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 2.000 . -18.334 . -11.654 . -2.127 -1.548 1.040 9 . 27853 C2E C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . -0.350 . -18.292 . -10.868 . -4.264 -0.862 0.085 10 . 27853 C2E O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . -0.626 . -18.346 . -12.271 . -4.576 -2.109 0.709 11 . 27853 C2E C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . -1.212 . -19.291 . -10.119 . -5.039 0.281 0.760 12 . 27853 C2E N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . -1.507 . -18.784 . -8.781 . -6.089 0.768 -0.139 13 . 27853 C2E C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -1.074 . -19.304 . -7.629 . -5.990 1.824 -0.998 14 . 27853 C2E N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . -1.523 . -18.591 . -6.578 . -7.110 1.975 -1.641 15 . 27853 C2E C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -2.263 . -17.593 . -7.067 . -7.992 1.029 -1.236 16 . 27853 C2E C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -3.030 . -16.469 . -6.501 . -9.327 0.715 -1.580 17 . 27853 C2E O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . -3.091 . -16.295 . -5.263 . -9.927 1.369 -2.416 18 . 27853 C2E N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . -3.665 . -15.645 . -7.344 . -9.922 -0.328 -0.959 19 . 27853 C2E C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -3.615 . -15.816 . -8.681 . -9.241 -1.052 -0.026 20 . 27853 C2E N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . -4.278 . -14.952 . -9.485 . -9.870 -2.106 0.588 21 . 27853 C2E N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . -2.924 . -16.831 . -9.266 . -8.000 -0.771 0.302 22 . 27853 C2E C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -2.242 . -17.727 . -8.519 . -7.345 0.244 -0.275 23 . 27853 C2E P11 P11 P11 P11 . P . . N 0 . . . 1 no no . . . . 2.786 . -17.024 . -11.195 . -0.797 -2.300 0.531 24 . 27853 C2E O21 O21 O21 O21 . O . . N 0 . . . 1 no no . . . . 1.787 . -15.967 . -10.842 . -0.918 -2.593 -1.048 25 . 27853 C2E O11 O11 O11 O11 . O . . N 0 . . . 1 no no . . . . 3.645 . -16.587 . -12.339 . -0.645 -3.580 1.259 26 . 27853 C2E O5A O5A O5A O5A . O . . N 0 . . . 1 no no . . . . 3.695 . -17.385 . -9.945 . 0.488 -1.371 0.807 27 . 27853 C2E C5A C5A C5A C5A . C . . N 0 . . . 1 no no . . . . 4.726 . -18.365 . -10.103 . 1.830 -1.807 0.588 28 . 27853 C2E C4A C4A C4A C4A . C . . R 0 . . . 1 no no . . . . 5.447 . -18.579 . -8.792 . 2.809 -0.796 1.189 29 . 27853 C2E O4A O4A O4A O4A . O . . N 0 . . . 1 no no . . . . 6.015 . -17.354 . -8.279 . 4.138 -1.319 1.133 30 . 27853 C2E C3A C3A C3A C3A . C . . S 0 . . . 1 no no . . . . 4.537 . -19.101 . -7.690 . 2.785 0.505 0.373 31 . 27853 C2E O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 4.390 . -20.532 . -7.761 . 2.122 1.542 1.101 32 . 27853 C2E C2A C2A C2A C2A . C . . R 0 . . . 1 no no . . . . 5.239 . -18.621 . -6.460 . 4.267 0.869 0.161 33 . 27853 C2E O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 6.209 . -19.604 . -6.062 . 4.568 2.114 0.795 34 . 27853 C2E C1A C1A C1A C1A . C . . R 0 . . . 1 no no . . . . 5.915 . -17.310 . -6.851 . 5.057 -0.271 0.822 35 . 27853 C2E N91 N91 N91 N91 . N . . N 0 . . . 1 yes no . . . . 5.066 . -16.178 . -6.432 . 6.081 -0.766 -0.102 36 . 27853 C2E C81 C81 C81 C81 . C . . N 0 . . . 1 yes no . . . . 4.215 . -15.478 . -7.209 . 5.955 -1.826 -0.953 37 . 27853 C2E N71 N71 N71 N71 . N . . N 0 . . . 1 yes no . . . . 3.584 . -14.516 . -6.498 . 7.057 -1.984 -1.625 38 . 27853 C2E C51 C51 C51 C51 . C . . N 0 . . . 1 yes no . . . . 4.032 . -14.594 . -5.236 . 7.953 -1.039 -1.249 39 . 27853 C2E C61 C61 C61 C61 . C . . N 0 . . . 1 no no . . . . 3.784 . -13.882 . -3.970 . 9.280 -0.731 -1.630 40 . 27853 C2E O61 O61 O61 O61 . O . . N 0 . . . 1 no no . . . . 2.968 . -12.941 . -3.892 . 9.855 -1.391 -2.479 41 . 27853 C2E N11 N11 N11 N11 . N . . N 0 . . . 1 no no . . . . 4.459 . -14.276 . -2.885 . 9.894 0.313 -1.031 42 . 27853 C2E C21 C21 C21 C21 . C . . N 0 . . . 1 no no . . . . 5.352 . -15.291 . -2.919 . 9.241 1.044 -0.084 43 . 27853 C2E N21 N21 N21 N21 . N . . N 0 . . . 1 no no . . . . 6.000 . -15.627 . -1.778 . 9.890 2.099 0.507 44 . 27853 C2E N31 N31 N31 N31 . N . . N 0 . . . 1 no no . . . . 5.624 . -15.989 . -4.046 . 8.009 0.768 0.279 45 . 27853 C2E C41 C41 C41 C41 . C . . N 0 . . . 1 yes no . . . . 5.008 . -15.685 . -5.212 . 7.335 -0.246 -0.275 46 . 27853 C2E HO2P HO2P HO2P HO2P . H . . N 0 . . . 0 no no . . . . 2.456 . -21.186 . -5.355 . 0.295 3.174 -1.393 47 . 27853 C2E H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 2.963 . -20.632 . -10.142 . -1.937 2.772 0.929 48 . 27853 C2E H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 1.842 . -21.992 . -9.801 . -2.000 1.871 -0.604 49 . 27853 C2E H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 0.991 . -20.653 . -11.586 . -2.507 0.607 2.125 50 . 27853 C2E H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 1.496 . -18.240 . -9.745 . -2.284 -0.379 -0.669 51 . 27853 C2E H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . -0.543 . -17.266 . -10.521 . -4.497 -0.902 -0.979 52 . 27853 C2E HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . -1.523 . -18.077 . -12.428 . -5.500 -2.378 0.609 53 . 27853 C2E H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . -2.164 . -19.486 . -10.634 . -5.484 -0.072 1.690 54 . 27853 C2E H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -0.447 . -20.180 . -7.551 . -5.113 2.442 -1.124 55 . 27853 C2E HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . -4.192 . -14.881 . -6.972 . -10.837 -0.563 -1.179 56 . 27853 C2E HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . -4.250 . -15.071 . -10.478 . -10.786 -2.326 0.356 57 . 27853 C2E HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . -4.796 . -14.195 . -9.086 . -9.399 -2.631 1.254 58 . 27853 C2E HO21 HO21 HO21 HO21 . H . . N 0 . . . 0 no no . . . . 1.897 . -15.221 . -11.420 . -0.151 -3.046 -1.424 59 . 27853 C2E H511 H511 H511 H511 . H . . N 0 . . . 0 no no . . . . 4.277 . -19.315 . -10.429 . 1.977 -2.778 1.060 60 . 27853 C2E H512 H512 H512 H512 . H . . N 0 . . . 0 no no . . . . 5.445 . -18.016 . -10.859 . 2.013 -1.895 -0.483 61 . 27853 C2E H4A H4A H4A H4A . H . . N 0 . . . 1 no no . . . . 6.226 . -19.317 . -9.034 . 2.539 -0.587 2.223 62 . 27853 C2E H3A H3A H3A H3A . H . . N 0 . . . 1 no no . . . . 3.497 . -18.746 . -7.743 . 2.298 0.345 -0.591 63 . 27853 C2E H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 4.554 . -18.467 . -5.613 . 4.496 0.921 -0.903 64 . 27853 C2E HO2A HO2A HO2A HO2A . H . . N 0 . . . 0 no no . . . . 6.660 . -19.306 . -5.281 . 5.488 2.394 0.695 65 . 27853 C2E H1A H1A H1A H1A . H . . N 0 . . . 1 no no . . . . 6.899 . -17.183 . -6.377 . 5.530 0.089 1.736 66 . 27853 C2E H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 4.058 . -15.662 . -8.262 . 5.073 -2.441 -1.052 67 . 27853 C2E HN11 HN11 HN11 HN11 . H . . N 0 . . . 0 no no . . . . 4.298 . -13.804 . -2.018 . 10.804 0.543 -1.276 68 . 27853 C2E HN24 HN24 HN24 HN24 . H . . N 0 . . . 0 no no . . . . 6.662 . -16.376 . -1.781 . 10.800 2.315 0.250 69 . 27853 C2E HN23 HN23 HN23 HN23 . H . . N 0 . . . 0 no no . . . . 5.816 . -15.126 . -0.932 . 9.439 2.628 1.183 70 . 27853 C2E stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING P1 O2P no N 1 . 27853 C2E 2 . DOUB O1P P1 no N 2 . 27853 C2E 3 . SING O5' P1 no N 3 . 27853 C2E 4 . SING C5' O5' no N 4 . 27853 C2E 5 . SING C4' O4' no N 5 . 27853 C2E 6 . SING C4' C5' no N 6 . 27853 C2E 7 . SING C3' C4' no N 7 . 27853 C2E 8 . SING O3' P11 no N 8 . 27853 C2E 9 . SING O3' C3' no N 9 . 27853 C2E 10 . SING C2' C3' no N 10 . 27853 C2E 11 . SING C2' C1' no N 11 . 27853 C2E 12 . SING O2' C2' no N 12 . 27853 C2E 13 . SING C1' O4' no N 13 . 27853 C2E 14 . SING C1' N9 no N 14 . 27853 C2E 15 . SING N9 C4 yes N 15 . 27853 C2E 16 . SING N9 C8 yes N 16 . 27853 C2E 17 . DOUB C8 N7 yes N 17 . 27853 C2E 18 . SING C5 N7 yes N 18 . 27853 C2E 19 . SING C5 C6 no N 19 . 27853 C2E 20 . DOUB C6 O6 no N 20 . 27853 C2E 21 . SING N1 C6 no N 21 . 27853 C2E 22 . SING C2 N1 no N 22 . 27853 C2E 23 . SING N2 C2 no N 23 . 27853 C2E 24 . DOUB N3 C2 no N 24 . 27853 C2E 25 . SING N3 C4 no N 25 . 27853 C2E 26 . DOUB C4 C5 yes N 26 . 27853 C2E 27 . SING P11 O21 no N 27 . 27853 C2E 28 . SING P11 O5A no N 28 . 27853 C2E 29 . DOUB O11 P11 no N 29 . 27853 C2E 30 . SING C5A O5A no N 30 . 27853 C2E 31 . SING C5A C4A no N 31 . 27853 C2E 32 . SING C4A O4A no N 32 . 27853 C2E 33 . SING C4A C3A no N 33 . 27853 C2E 34 . SING O4A C1A no N 34 . 27853 C2E 35 . SING C3A C2A no N 35 . 27853 C2E 36 . SING O3A C3A no N 36 . 27853 C2E 37 . SING O3A P1 no N 37 . 27853 C2E 38 . SING C2A O2A no N 38 . 27853 C2E 39 . SING C1A C2A no N 39 . 27853 C2E 40 . SING C1A N91 no N 40 . 27853 C2E 41 . SING N91 C41 yes N 41 . 27853 C2E 42 . DOUB C81 N71 yes N 42 . 27853 C2E 43 . SING C81 N91 yes N 43 . 27853 C2E 44 . SING N71 C51 yes N 44 . 27853 C2E 45 . DOUB C51 C41 yes N 45 . 27853 C2E 46 . SING C51 C61 no N 46 . 27853 C2E 47 . DOUB C61 O61 no N 47 . 27853 C2E 48 . SING C61 N11 no N 48 . 27853 C2E 49 . SING C21 N11 no N 49 . 27853 C2E 50 . SING C21 N21 no N 50 . 27853 C2E 51 . DOUB N31 C21 no N 51 . 27853 C2E 52 . SING C41 N31 no N 52 . 27853 C2E 53 . SING O2P HO2P no N 53 . 27853 C2E 54 . SING C5' H5'1 no N 54 . 27853 C2E 55 . SING C5' H5'2 no N 55 . 27853 C2E 56 . SING C4' H4' no N 56 . 27853 C2E 57 . SING C3' H3' no N 57 . 27853 C2E 58 . SING C2' H2' no N 58 . 27853 C2E 59 . SING O2' HO2' no N 59 . 27853 C2E 60 . SING C1' H1' no N 60 . 27853 C2E 61 . SING C8 H8 no N 61 . 27853 C2E 62 . SING N1 HN1 no N 62 . 27853 C2E 63 . SING N2 HN21 no N 63 . 27853 C2E 64 . SING N2 HN22 no N 64 . 27853 C2E 65 . SING O21 HO21 no N 65 . 27853 C2E 66 . SING C5A H511 no N 66 . 27853 C2E 67 . SING C5A H512 no N 67 . 27853 C2E 68 . SING C4A H4A no N 68 . 27853 C2E 69 . SING C3A H3A no N 69 . 27853 C2E 70 . SING C2A H2A no N 70 . 27853 C2E 71 . SING O2A HO2A no N 71 . 27853 C2E 72 . SING C1A H1A no N 72 . 27853 C2E 73 . SING C81 H81 no N 73 . 27853 C2E 74 . SING N11 HN11 no N 74 . 27853 C2E 75 . SING N21 HN24 no N 75 . 27853 C2E 76 . SING N21 HN23 no N 76 . 27853 C2E stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27853 _Sample.ID 1 _Sample.Name . _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 PilF159-302 '[U-13C; U-15N]' . . 1 $PilF159-302 . . 541 . . uM . . . . 27853 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27853 1 3 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27853 1 4 Bis-TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 27853 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . % . . . . 27853 1 6 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27853 1 7 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 812 . . uM . . . . 27853 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 27853 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 5.8 . pH 27853 1 pressure 1 . atm 27853 1 temperature 318 . K 27853 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27853 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version v1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27853 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27853 1 . 'peak picking' 27853 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV600 _NMR_spectrometer.Entry_ID 27853 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_AV700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV700 _NMR_spectrometer.Entry_ID 27853 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_AV950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV950 _NMR_spectrometer.Entry_ID 27853 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_AV599 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV599 _NMR_spectrometer.Entry_ID 27853 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 599 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 27853 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 AV600 Bruker Avance . 600 . . . 27853 1 2 AV700 Bruker Avance . 700 . . . 27853 1 3 AV950 Bruker Avance . 950 . . . 27853 1 4 AV599 Bruker Avance . 599 . . . 27853 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 27853 _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 $AV600 . . . . . . . . . . . . . . . . 27853 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 27853 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 27853 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV700 . . . . . . . . . . . . . . . . 27853 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV700 . . . . . . . . . . . . . . . . 27853 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV700 . . . . . . . . . . . . . . . . 27853 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $AV599 . . . . . . . . . . . . . . . . 27853 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $AV950 . . . . . . . . . . . . . . . . 27853 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $AV950 . . . . . . . . . . . . . . . . 27853 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 27853 1 11 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 27853 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $AV950 . . . . . . . . . . . . . . . . 27853 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $AV950 . . . . . . . . . . . . . . . . 27853 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $AV950 . . . . . . . . . . . . . . . . 27853 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 27853 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27853 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27853 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27853 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 27853 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 27853 1 2 '3D HNCO' . . . 27853 1 3 '3D HNCACB' . . . 27853 1 4 '3D HBHA(CO)NH' . . . 27853 1 5 '3D H(CCO)NH' . . . 27853 1 6 '3D C(CO)NH' . . . 27853 1 7 '3D HCCH-TOCSY' . . . 27853 1 8 '2D 1H-13C HSQC aliphatic' . . . 27853 1 9 '2D 1H-13C HSQC aromatic' . . . 27853 1 10 '3D HCCH-COSY' . . . 27853 1 11 '3D HCACO' . . . 27853 1 12 '3D 1H-13C NOESY aliphatic' . . . 27853 1 13 '3D 1H-13C NOESY aromatic' . . . 27853 1 14 '3D 1H-15N NOESY' . . . 27853 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.Ambiguity_set_ID _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 2 2 SER HA H 1 4.567 0.020 . 1 . . . . . 2 SER HA . 27853 1 2 . 1 1 2 2 SER HB3 H 1 3.901 0.020 . 1 . . . . . 2 SER HB3 . 27853 1 3 . 1 1 2 2 SER C C 13 174.675 0.3 . 1 . . . . . 2 SER C . 27853 1 4 . 1 1 3 3 SER H H 1 8.456 0.020 . 1 . . . . . 3 SER H . 27853 1 5 . 1 1 3 3 SER HA H 1 4.507 0.020 . 1 . . . . . 3 SER HA . 27853 1 6 . 1 1 3 3 SER HB2 H 1 3.883 0.020 . 1 . . . . . 3 SER HB2 . 27853 1 7 . 1 1 3 3 SER HB3 H 1 3.883 0.020 . 1 . . . . . 3 SER HB3 . 27853 1 8 . 1 1 3 3 SER C C 13 175.012 0.3 . 1 . . . . . 3 SER C . 27853 1 9 . 1 1 3 3 SER CA C 13 58.429 0.3 . 1 . . . . . 3 SER CA . 27853 1 10 . 1 1 3 3 SER CB C 13 63.812 0.3 . 1 . . . . . 3 SER CB . 27853 1 11 . 1 1 3 3 SER N N 15 117.658 0.3 . 1 . . . . . 3 SER N . 27853 1 12 . 1 1 4 4 GLY H H 1 8.334 0.020 . 1 . . . . . 4 GLY H . 27853 1 13 . 1 1 4 4 GLY HA2 H 1 3.991 0.020 . 1 . . . . . 4 GLY HA2 . 27853 1 14 . 1 1 4 4 GLY HA3 H 1 3.991 0.020 . 1 . . . . . 4 GLY HA3 . 27853 1 15 . 1 1 4 4 GLY C C 13 174.236 0.3 . 1 . . . . . 4 GLY C . 27853 1 16 . 1 1 4 4 GLY CA C 13 45.533 0.3 . 1 . . . . . 4 GLY CA . 27853 1 17 . 1 1 4 4 GLY N N 15 110.603 0.3 . 1 . . . . . 4 GLY N . 27853 1 18 . 1 1 5 5 GLU H H 1 8.230 0.020 . 1 . . . . . 5 GLU H . 27853 1 19 . 1 1 5 5 GLU HA H 1 4.310 0.020 . 1 . . . . . 5 GLU HA . 27853 1 20 . 1 1 5 5 GLU HB2 H 1 2.078 0.020 . 2 . . . . . 5 GLU HB2 . 27853 1 21 . 1 1 5 5 GLU HB3 H 1 1.944 0.020 . 2 . . . . . 5 GLU HB3 . 27853 1 22 . 1 1 5 5 GLU HG2 H 1 2.255 0.020 . 1 . . . . . 5 GLU HG2 . 27853 1 23 . 1 1 5 5 GLU HG3 H 1 2.255 0.020 . 1 . . . . . 5 GLU HG3 . 27853 1 24 . 1 1 5 5 GLU C C 13 177.054 0.3 . 1 . . . . . 5 GLU C . 27853 1 25 . 1 1 5 5 GLU CA C 13 56.870 0.3 . 1 . . . . . 5 GLU CA . 27853 1 26 . 1 1 5 5 GLU CB C 13 30.316 0.3 . 1 . . . . . 5 GLU CB . 27853 1 27 . 1 1 5 5 GLU CG C 13 36.081 0.3 . 1 . . . . . 5 GLU CG . 27853 1 28 . 1 1 5 5 GLU N N 15 120.561 0.3 . 1 . . . . . 5 GLU N . 27853 1 29 . 1 1 6 6 GLY H H 1 8.393 0.020 . 1 . . . . . 6 GLY H . 27853 1 30 . 1 1 6 6 GLY HA2 H 1 3.917 0.020 . 1 . . . . . 6 GLY HA2 . 27853 1 31 . 1 1 6 6 GLY HA3 H 1 3.917 0.020 . 1 . . . . . 6 GLY HA3 . 27853 1 32 . 1 1 6 6 GLY C C 13 174.002 0.3 . 1 . . . . . 6 GLY C . 27853 1 33 . 1 1 6 6 GLY CA C 13 43.433 0.3 . 1 . . . . . 6 GLY CA . 27853 1 34 . 1 1 6 6 GLY N N 15 109.574 0.3 . 1 . . . . . 6 GLY N . 27853 1 35 . 1 1 7 7 GLN H H 1 8.134 0.020 . 1 . . . . . 7 GLN H . 27853 1 36 . 1 1 7 7 GLN HA H 1 4.311 0.020 . 1 . . . . . 7 GLN HA . 27853 1 37 . 1 1 7 7 GLN HB2 H 1 2.066 0.020 . 2 . . . . . 7 GLN HB2 . 27853 1 38 . 1 1 7 7 GLN HB3 H 1 2.205 0.020 . 1 . . . . . 7 GLN HB3 . 27853 1 39 . 1 1 7 7 GLN HG2 H 1 2.224 0.020 . 1 . . . . . 7 GLN HG2 . 27853 1 40 . 1 1 7 7 GLN HG3 H 1 2.224 0.020 . 1 . . . . . 7 GLN HG3 . 27853 1 41 . 1 1 7 7 GLN HE21 H 1 8.171 0.020 . 1 . . . . . 7 GLN HE21 . 27853 1 42 . 1 1 7 7 GLN HE22 H 1 7.742 0.020 . 1 . . . . . 7 GLN HE22 . 27853 1 43 . 1 1 7 7 GLN C C 13 175.720 0.3 . 1 . . . . . 7 GLN C . 27853 1 44 . 1 1 7 7 GLN CA C 13 55.774 0.3 . 1 . . . . . 7 GLN CA . 27853 1 45 . 1 1 7 7 GLN CB C 13 30.190 0.3 . 1 . . . . . 7 GLN CB . 27853 1 46 . 1 1 7 7 GLN CG C 13 35.892 0.3 . 1 . . . . . 7 GLN CG . 27853 1 47 . 1 1 7 7 GLN N N 15 119.914 0.3 . 1 . . . . . 7 GLN N . 27853 1 48 . 1 1 7 7 GLN NE2 N 15 115.461 0.3 . 1 . . . . . 7 GLN NE2 . 27853 1 49 . 1 1 8 8 LYS H H 1 8.177 0.020 . 1 . . . . . 8 LYS H . 27853 1 50 . 1 1 8 8 LYS HA H 1 4.354 0.020 . 1 . . . . . 8 LYS HA . 27853 1 51 . 1 1 8 8 LYS HB2 H 1 1.792 0.020 . 2 . . . . . 8 LYS HB2 . 27853 1 52 . 1 1 8 8 LYS HB3 H 1 1.719 0.020 . 2 . . . . . 8 LYS HB3 . 27853 1 53 . 1 1 8 8 LYS HG2 H 1 1.391 0.020 . 1 . . . . . 8 LYS HG2 . 27853 1 54 . 1 1 8 8 LYS HG3 H 1 1.391 0.020 . 1 . . . . . 8 LYS HG3 . 27853 1 55 . 1 1 8 8 LYS HD2 H 1 1.635 0.020 . 1 . . . . . 8 LYS HD2 . 27853 1 56 . 1 1 8 8 LYS HD3 H 1 1.635 0.020 . 1 . . . . . 8 LYS HD3 . 27853 1 57 . 1 1 8 8 LYS HE2 H 1 2.958 0.020 . 1 . . . . . 8 LYS HE2 . 27853 1 58 . 1 1 8 8 LYS HE3 H 1 2.958 0.020 . 1 . . . . . 8 LYS HE3 . 27853 1 59 . 1 1 8 8 LYS C C 13 175.929 0.3 . 1 . . . . . 8 LYS C . 27853 1 60 . 1 1 8 8 LYS CA C 13 56.285 0.3 . 1 . . . . . 8 LYS CA . 27853 1 61 . 1 1 8 8 LYS CB C 13 33.419 0.3 . 1 . . . . . 8 LYS CB . 27853 1 62 . 1 1 8 8 LYS CG C 13 24.413 0.3 . 1 . . . . . 8 LYS CG . 27853 1 63 . 1 1 8 8 LYS CD C 13 28.819 0.3 . 1 . . . . . 8 LYS CD . 27853 1 64 . 1 1 8 8 LYS CE C 13 42.110 0.3 . 1 . . . . . 8 LYS CE . 27853 1 65 . 1 1 8 8 LYS N N 15 121.844 0.3 . 1 . . . . . 8 LYS N . 27853 1 66 . 1 1 9 9 ASP H H 1 8.260 0.020 . 1 . . . . . 9 ASP H . 27853 1 67 . 1 1 9 9 ASP HA H 1 4.599 0.020 . 1 . . . . . 9 ASP HA . 27853 1 68 . 1 1 9 9 ASP HB2 H 1 2.665 0.020 . 2 . . . . . 9 ASP HB2 . 27853 1 69 . 1 1 9 9 ASP HB3 H 1 2.521 0.020 . 2 . . . . . 9 ASP HB3 . 27853 1 70 . 1 1 9 9 ASP C C 13 175.487 0.3 . 1 . . . . . 9 ASP C . 27853 1 71 . 1 1 9 9 ASP CA C 13 54.308 0.3 . 1 . . . . . 9 ASP CA . 27853 1 72 . 1 1 9 9 ASP CB C 13 40.590 0.3 . 1 . . . . . 9 ASP CB . 27853 1 73 . 1 1 9 9 ASP N N 15 121.099 0.3 . 1 . . . . . 9 ASP N . 27853 1 74 . 1 1 10 10 LEU H H 1 7.886 0.020 . 1 . . . . . 10 LEU H . 27853 1 75 . 1 1 10 10 LEU HA H 1 4.372 0.020 . 1 . . . . . 10 LEU HA . 27853 1 76 . 1 1 10 10 LEU HB2 H 1 1.500 0.020 . 2 . . . . . 10 LEU HB2 . 27853 1 77 . 1 1 10 10 LEU HB3 H 1 1.500 0.020 . 1 . . . . . 10 LEU HB3 . 27853 1 78 . 1 1 10 10 LEU HG H 1 1.604 0.020 . 1 . . . . . 10 LEU HG . 27853 1 79 . 1 1 10 10 LEU HD11 H 1 0.809 0.020 . 2 . . . . . 10 LEU HD1 . 27853 1 80 . 1 1 10 10 LEU HD12 H 1 0.809 0.020 . 2 . . . . . 10 LEU HD1 . 27853 1 81 . 1 1 10 10 LEU HD13 H 1 0.809 0.020 . 2 . . . . . 10 LEU HD1 . 27853 1 82 . 1 1 10 10 LEU HD21 H 1 0.795 0.020 . 2 . . . . . 10 LEU HD2 . 27853 1 83 . 1 1 10 10 LEU HD22 H 1 0.795 0.020 . 2 . . . . . 10 LEU HD2 . 27853 1 84 . 1 1 10 10 LEU HD23 H 1 0.795 0.020 . 2 . . . . . 10 LEU HD2 . 27853 1 85 . 1 1 10 10 LEU C C 13 177.426 0.3 . 1 . . . . . 10 LEU C . 27853 1 86 . 1 1 10 10 LEU CA C 13 54.589 0.3 . 1 . . . . . 10 LEU CA . 27853 1 87 . 1 1 10 10 LEU CB C 13 43.783 0.3 . 1 . . . . . 10 LEU CB . 27853 1 88 . 1 1 10 10 LEU CG C 13 27.071 0.3 . 1 . . . . . 10 LEU CG . 27853 1 89 . 1 1 10 10 LEU CD1 C 13 25.407 0.3 . 1 . . . . . 10 LEU CD1 . 27853 1 90 . 1 1 10 10 LEU CD2 C 13 23.834 0.3 . 1 . . . . . 10 LEU CD2 . 27853 1 91 . 1 1 10 10 LEU N N 15 122.271 0.3 . 1 . . . . . 10 LEU N . 27853 1 92 . 1 1 11 11 LYS H H 1 8.563 0.020 . 1 . . . . . 11 LYS H . 27853 1 93 . 1 1 11 11 LYS HA H 1 4.051 0.020 . 1 . . . . . 11 LYS HA . 27853 1 94 . 1 1 11 11 LYS HB2 H 1 1.284 0.020 . 2 . . . . . 11 LYS HB2 . 27853 1 95 . 1 1 11 11 LYS HB3 H 1 1.140 0.020 . 2 . . . . . 11 LYS HB3 . 27853 1 96 . 1 1 11 11 LYS HG2 H 1 1.267 0.020 . 1 . . . . . 11 LYS HG2 . 27853 1 97 . 1 1 11 11 LYS HG3 H 1 1.267 0.020 . 1 . . . . . 11 LYS HG3 . 27853 1 98 . 1 1 11 11 LYS HD2 H 1 0.905 0.020 . 2 . . . . . 11 LYS HD2 . 27853 1 99 . 1 1 11 11 LYS HD3 H 1 0.860 0.020 . 2 . . . . . 11 LYS HD3 . 27853 1 100 . 1 1 11 11 LYS HE2 H 1 2.735 0.020 . 1 . . . . . 11 LYS HE2 . 27853 1 101 . 1 1 11 11 LYS HE3 H 1 2.735 0.020 . 1 . . . . . 11 LYS HE3 . 27853 1 102 . 1 1 11 11 LYS C C 13 176.881 0.3 . 1 . . . . . 11 LYS C . 27853 1 103 . 1 1 11 11 LYS CA C 13 55.945 0.3 . 1 . . . . . 11 LYS CA . 27853 1 104 . 1 1 11 11 LYS CB C 13 33.235 0.3 . 1 . . . . . 11 LYS CB . 27853 1 105 . 1 1 11 11 LYS CG C 13 25.266 0.3 . 1 . . . . . 11 LYS CG . 27853 1 106 . 1 1 11 11 LYS CD C 13 28.440 0.3 . 1 . . . . . 11 LYS CD . 27853 1 107 . 1 1 11 11 LYS CE C 13 41.890 0.3 . 1 . . . . . 11 LYS CE . 27853 1 108 . 1 1 11 11 LYS N N 15 122.871 0.3 . 1 . . . . . 11 LYS N . 27853 1 109 . 1 1 12 12 LEU H H 1 9.494 0.020 . 1 . . . . . 12 LEU H . 27853 1 110 . 1 1 12 12 LEU HA H 1 3.748 0.020 . 1 . . . . . 12 LEU HA . 27853 1 111 . 1 1 12 12 LEU HB2 H 1 1.690 0.020 . 1 . . . . . 12 LEU HB2 . 27853 1 112 . 1 1 12 12 LEU HB3 H 1 1.690 0.020 . 1 . . . . . 12 LEU HB3 . 27853 1 113 . 1 1 12 12 LEU HG H 1 1.754 0.020 . 1 . . . . . 12 LEU HG . 27853 1 114 . 1 1 12 12 LEU HD11 H 1 0.644 0.020 . 1 . . . . . 12 LEU HD1 . 27853 1 115 . 1 1 12 12 LEU HD12 H 1 0.644 0.020 . 1 . . . . . 12 LEU HD1 . 27853 1 116 . 1 1 12 12 LEU HD13 H 1 0.644 0.020 . 1 . . . . . 12 LEU HD1 . 27853 1 117 . 1 1 12 12 LEU HD21 H 1 0.644 0.020 . 1 . . . . . 12 LEU HD2 . 27853 1 118 . 1 1 12 12 LEU HD22 H 1 0.644 0.020 . 1 . . . . . 12 LEU HD2 . 27853 1 119 . 1 1 12 12 LEU HD23 H 1 0.644 0.020 . 1 . . . . . 12 LEU HD2 . 27853 1 120 . 1 1 12 12 LEU C C 13 178.422 0.3 . 1 . . . . . 12 LEU C . 27853 1 121 . 1 1 12 12 LEU CA C 13 58.681 0.3 . 1 . . . . . 12 LEU CA . 27853 1 122 . 1 1 12 12 LEU CB C 13 42.916 0.3 . 1 . . . . . 12 LEU CB . 27853 1 123 . 1 1 12 12 LEU CG C 13 26.741 0.3 . 1 . . . . . 12 LEU CG . 27853 1 124 . 1 1 12 12 LEU CD1 C 13 22.249 0.3 . 1 . . . . . 12 LEU CD1 . 27853 1 125 . 1 1 12 12 LEU N N 15 122.245 0.3 . 1 . . . . . 12 LEU N . 27853 1 126 . 1 1 13 13 GLY H H 1 10.050 0.020 . 1 . . . . . 13 GLY H . 27853 1 127 . 1 1 13 13 GLY HA2 H 1 4.268 0.020 . 2 . . . . . 13 GLY HA2 . 27853 1 128 . 1 1 13 13 GLY HA3 H 1 3.331 0.020 . 2 . . . . . 13 GLY HA3 . 27853 1 129 . 1 1 13 13 GLY C C 13 175.199 0.3 . 1 . . . . . 13 GLY C . 27853 1 130 . 1 1 13 13 GLY CA C 13 48.454 0.3 . 1 . . . . . 13 GLY CA . 27853 1 131 . 1 1 13 13 GLY N N 15 107.306 0.3 . 1 . . . . . 13 GLY N . 27853 1 132 . 1 1 14 14 GLU H H 1 6.936 0.020 . 1 . . . . . 14 GLU H . 27853 1 133 . 1 1 14 14 GLU HA H 1 3.960 0.020 . 1 . . . . . 14 GLU HA . 27853 1 134 . 1 1 14 14 GLU HB2 H 1 1.992 0.020 . 1 . . . . . 14 GLU HB2 . 27853 1 135 . 1 1 14 14 GLU HB3 H 1 1.992 0.020 . 1 . . . . . 14 GLU HB3 . 27853 1 136 . 1 1 14 14 GLU HG2 H 1 2.347 0.020 . 1 . . . . . 14 GLU HG2 . 27853 1 137 . 1 1 14 14 GLU HG3 H 1 2.347 0.020 . 1 . . . . . 14 GLU HG3 . 27853 1 138 . 1 1 14 14 GLU C C 13 179.222 0.3 . 1 . . . . . 14 GLU C . 27853 1 139 . 1 1 14 14 GLU CA C 13 58.712 0.3 . 1 . . . . . 14 GLU CA . 27853 1 140 . 1 1 14 14 GLU CB C 13 29.773 0.3 . 1 . . . . . 14 GLU CB . 27853 1 141 . 1 1 14 14 GLU CG C 13 36.072 0.3 . 1 . . . . . 14 GLU CG . 27853 1 142 . 1 1 14 14 GLU N N 15 120.505 0.3 . 1 . . . . . 14 GLU N . 27853 1 143 . 1 1 15 15 LEU H H 1 8.132 0.020 . 1 . . . . . 15 LEU H . 27853 1 144 . 1 1 15 15 LEU HA H 1 3.920 0.020 . 1 . . . . . 15 LEU HA . 27853 1 145 . 1 1 15 15 LEU HB2 H 1 1.628 0.020 . 1 . . . . . 15 LEU HB2 . 27853 1 146 . 1 1 15 15 LEU HB3 H 1 1.628 0.020 . 1 . . . . . 15 LEU HB3 . 27853 1 147 . 1 1 15 15 LEU HG H 1 1.420 0.020 . 1 . . . . . 15 LEU HG . 27853 1 148 . 1 1 15 15 LEU HD11 H 1 0.784 0.020 . 1 . . . . . 15 LEU HD1 . 27853 1 149 . 1 1 15 15 LEU HD12 H 1 0.784 0.020 . 1 . . . . . 15 LEU HD1 . 27853 1 150 . 1 1 15 15 LEU HD13 H 1 0.784 0.020 . 1 . . . . . 15 LEU HD1 . 27853 1 151 . 1 1 15 15 LEU HD21 H 1 0.784 0.020 . 1 . . . . . 15 LEU HD2 . 27853 1 152 . 1 1 15 15 LEU HD22 H 1 0.784 0.020 . 1 . . . . . 15 LEU HD2 . 27853 1 153 . 1 1 15 15 LEU HD23 H 1 0.784 0.020 . 1 . . . . . 15 LEU HD2 . 27853 1 154 . 1 1 15 15 LEU C C 13 178.750 0.3 . 1 . . . . . 15 LEU C . 27853 1 155 . 1 1 15 15 LEU CA C 13 58.485 0.3 . 1 . . . . . 15 LEU CA . 27853 1 156 . 1 1 15 15 LEU CB C 13 42.365 0.3 . 1 . . . . . 15 LEU CB . 27853 1 157 . 1 1 15 15 LEU CG C 13 27.424 0.3 . 1 . . . . . 15 LEU CG . 27853 1 158 . 1 1 15 15 LEU CD1 C 13 25.311 0.3 . 1 . . . . . 15 LEU CD1 . 27853 1 159 . 1 1 15 15 LEU N N 15 121.868 0.3 . 1 . . . . . 15 LEU N . 27853 1 160 . 1 1 16 16 LEU H H 1 8.234 0.020 . 1 . . . . . 16 LEU H . 27853 1 161 . 1 1 16 16 LEU HA H 1 3.780 0.020 . 1 . . . . . 16 LEU HA . 27853 1 162 . 1 1 16 16 LEU HB2 H 1 2.090 0.020 . 2 . . . . . 16 LEU HB2 . 27853 1 163 . 1 1 16 16 LEU HB3 H 1 1.236 0.020 . 2 . . . . . 16 LEU HB3 . 27853 1 164 . 1 1 16 16 LEU HG H 1 1.813 0.020 . 1 . . . . . 16 LEU HG . 27853 1 165 . 1 1 16 16 LEU HD11 H 1 0.901 0.020 . 2 . . . . . 16 LEU HD1 . 27853 1 166 . 1 1 16 16 LEU HD12 H 1 0.901 0.020 . 2 . . . . . 16 LEU HD1 . 27853 1 167 . 1 1 16 16 LEU HD13 H 1 0.901 0.020 . 2 . . . . . 16 LEU HD1 . 27853 1 168 . 1 1 16 16 LEU HD21 H 1 0.651 0.020 . 2 . . . . . 16 LEU HD2 . 27853 1 169 . 1 1 16 16 LEU HD22 H 1 0.651 0.020 . 2 . . . . . 16 LEU HD2 . 27853 1 170 . 1 1 16 16 LEU HD23 H 1 0.651 0.020 . 2 . . . . . 16 LEU HD2 . 27853 1 171 . 1 1 16 16 LEU C C 13 179.483 0.3 . 1 . . . . . 16 LEU C . 27853 1 172 . 1 1 16 16 LEU CA C 13 58.159 0.3 . 1 . . . . . 16 LEU CA . 27853 1 173 . 1 1 16 16 LEU CB C 13 42.624 0.3 . 1 . . . . . 16 LEU CB . 27853 1 174 . 1 1 16 16 LEU CG C 13 26.791 0.3 . 1 . . . . . 16 LEU CG . 27853 1 175 . 1 1 16 16 LEU CD1 C 13 24.592 0.3 . 1 . . . . . 16 LEU CD1 . 27853 1 176 . 1 1 16 16 LEU CD2 C 13 23.771 0.3 . 1 . . . . . 16 LEU CD2 . 27853 1 177 . 1 1 16 16 LEU N N 15 117.680 0.3 . 1 . . . . . 16 LEU N . 27853 1 178 . 1 1 17 17 LEU H H 1 8.492 0.020 . 1 . . . . . 17 LEU H . 27853 1 179 . 1 1 17 17 LEU HA H 1 4.144 0.020 . 1 . . . . . 17 LEU HA . 27853 1 180 . 1 1 17 17 LEU HB2 H 1 1.846 0.020 . 2 . . . . . 17 LEU HB2 . 27853 1 181 . 1 1 17 17 LEU HB3 H 1 1.651 0.020 . 2 . . . . . 17 LEU HB3 . 27853 1 182 . 1 1 17 17 LEU HG H 1 1.425 0.020 . 1 . . . . . 17 LEU HG . 27853 1 183 . 1 1 17 17 LEU HD11 H 1 0.804 0.020 . 1 . . . . . 17 LEU HD1 . 27853 1 184 . 1 1 17 17 LEU HD12 H 1 0.804 0.020 . 1 . . . . . 17 LEU HD1 . 27853 1 185 . 1 1 17 17 LEU HD13 H 1 0.804 0.020 . 1 . . . . . 17 LEU HD1 . 27853 1 186 . 1 1 17 17 LEU HD21 H 1 0.804 0.020 . 1 . . . . . 17 LEU HD2 . 27853 1 187 . 1 1 17 17 LEU HD22 H 1 0.804 0.020 . 1 . . . . . 17 LEU HD2 . 27853 1 188 . 1 1 17 17 LEU HD23 H 1 0.804 0.020 . 1 . . . . . 17 LEU HD2 . 27853 1 189 . 1 1 17 17 LEU C C 13 181.059 0.3 . 1 . . . . . 17 LEU C . 27853 1 190 . 1 1 17 17 LEU CA C 13 57.973 0.3 . 1 . . . . . 17 LEU CA . 27853 1 191 . 1 1 17 17 LEU CB C 13 42.411 0.3 . 1 . . . . . 17 LEU CB . 27853 1 192 . 1 1 17 17 LEU CG C 13 27.066 0.3 . 1 . . . . . 17 LEU CG . 27853 1 193 . 1 1 17 17 LEU CD2 C 13 24.762 0.3 . 1 . . . . . 17 LEU CD2 . 27853 1 194 . 1 1 17 17 LEU N N 15 120.830 0.3 . 1 . . . . . 17 LEU N . 27853 1 195 . 1 1 18 18 GLN H H 1 8.204 0.020 . 1 . . . . . 18 GLN H . 27853 1 196 . 1 1 18 18 GLN HA H 1 3.977 0.020 . 1 . . . . . 18 GLN HA . 27853 1 197 . 1 1 18 18 GLN HB2 H 1 1.981 0.020 . 1 . . . . . 18 GLN HB2 . 27853 1 198 . 1 1 18 18 GLN HB3 H 1 1.981 0.020 . 1 . . . . . 18 GLN HB3 . 27853 1 199 . 1 1 18 18 GLN HG2 H 1 2.366 0.020 . 1 . . . . . 18 GLN HG2 . 27853 1 200 . 1 1 18 18 GLN HG3 H 1 2.366 0.020 . 1 . . . . . 18 GLN HG3 . 27853 1 201 . 1 1 18 18 GLN HE21 H 1 7.279 0.020 . 1 . . . . . 18 GLN HE21 . 27853 1 202 . 1 1 18 18 GLN HE22 H 1 6.954 0.020 . 1 . . . . . 18 GLN HE22 . 27853 1 203 . 1 1 18 18 GLN C C 13 178.412 0.3 . 1 . . . . . 18 GLN C . 27853 1 204 . 1 1 18 18 GLN CA C 13 58.949 0.3 . 1 . . . . . 18 GLN CA . 27853 1 205 . 1 1 18 18 GLN CB C 13 29.820 0.3 . 1 . . . . . 18 GLN CB . 27853 1 206 . 1 1 18 18 GLN CG C 13 33.939 0.3 . 1 . . . . . 18 GLN CG . 27853 1 207 . 1 1 18 18 GLN N N 15 120.952 0.3 . 1 . . . . . 18 GLN N . 27853 1 208 . 1 1 18 18 GLN NE2 N 15 112.651 0.3 . 1 . . . . . 18 GLN NE2 . 27853 1 209 . 1 1 19 19 LYS H H 1 7.389 0.020 . 1 . . . . . 19 LYS H . 27853 1 210 . 1 1 19 19 LYS HA H 1 3.889 0.020 . 1 . . . . . 19 LYS HA . 27853 1 211 . 1 1 19 19 LYS HB2 H 1 0.932 0.020 . 2 . . . . . 19 LYS HB2 . 27853 1 212 . 1 1 19 19 LYS HB3 H 1 0.572 0.020 . 2 . . . . . 19 LYS HB3 . 27853 1 213 . 1 1 19 19 LYS HG2 H 1 1.122 0.020 . 1 . . . . . 19 LYS HG2 . 27853 1 214 . 1 1 19 19 LYS HG3 H 1 1.122 0.020 . 1 . . . . . 19 LYS HG3 . 27853 1 215 . 1 1 19 19 LYS HD2 H 1 0.762 0.020 . 1 . . . . . 19 LYS HD2 . 27853 1 216 . 1 1 19 19 LYS HD3 H 1 0.762 0.020 . 1 . . . . . 19 LYS HD3 . 27853 1 217 . 1 1 19 19 LYS HE2 H 1 2.440 0.020 . 1 . . . . . 19 LYS HE2 . 27853 1 218 . 1 1 19 19 LYS HE3 H 1 2.440 0.020 . 1 . . . . . 19 LYS HE3 . 27853 1 219 . 1 1 19 19 LYS C C 13 176.647 0.3 . 1 . . . . . 19 LYS C . 27853 1 220 . 1 1 19 19 LYS CA C 13 56.226 0.3 . 1 . . . . . 19 LYS CA . 27853 1 221 . 1 1 19 19 LYS CB C 13 32.396 0.3 . 1 . . . . . 19 LYS CB . 27853 1 222 . 1 1 19 19 LYS CG C 13 24.319 0.3 . 1 . . . . . 19 LYS CG . 27853 1 223 . 1 1 19 19 LYS CD C 13 27.893 0.3 . 1 . . . . . 19 LYS CD . 27853 1 224 . 1 1 19 19 LYS CE C 13 41.636 0.3 . 1 . . . . . 19 LYS CE . 27853 1 225 . 1 1 19 19 LYS N N 15 115.194 0.3 . 1 . . . . . 19 LYS N . 27853 1 226 . 1 1 20 20 GLY H H 1 7.752 0.020 . 1 . . . . . 20 GLY H . 27853 1 227 . 1 1 20 20 GLY HA2 H 1 3.926 0.020 . 1 . . . . . 20 GLY HA2 . 27853 1 228 . 1 1 20 20 GLY HA3 H 1 3.926 0.020 . 1 . . . . . 20 GLY HA3 . 27853 1 229 . 1 1 20 20 GLY C C 13 175.605 0.3 . 1 . . . . . 20 GLY C . 27853 1 230 . 1 1 20 20 GLY CA C 13 45.247 0.3 . 1 . . . . . 20 GLY CA . 27853 1 231 . 1 1 20 20 GLY N N 15 105.719 0.3 . 1 . . . . . 20 GLY N . 27853 1 232 . 1 1 21 21 TRP H H 1 7.822 0.020 . 1 . . . . . 21 TRP H . 27853 1 233 . 1 1 21 21 TRP HA H 1 4.788 0.020 . 1 . . . . . 21 TRP HA . 27853 1 234 . 1 1 21 21 TRP HB2 H 1 3.240 0.020 . 2 . . . . . 21 TRP HB2 . 27853 1 235 . 1 1 21 21 TRP HB3 H 1 2.939 0.020 . 2 . . . . . 21 TRP HB3 . 27853 1 236 . 1 1 21 21 TRP HD1 H 1 6.865 0.020 . 1 . . . . . 21 TRP HD1 . 27853 1 237 . 1 1 21 21 TRP HE1 H 1 10.110 0.020 . 1 . . . . . 21 TRP HE1 . 27853 1 238 . 1 1 21 21 TRP HE3 H 1 7.337 0.020 . 1 . . . . . 21 TRP HE3 . 27853 1 239 . 1 1 21 21 TRP HZ2 H 1 7.531 0.020 . 1 . . . . . 21 TRP HZ2 . 27853 1 240 . 1 1 21 21 TRP HZ3 H 1 7.174 0.020 . 1 . . . . . 21 TRP HZ3 . 27853 1 241 . 1 1 21 21 TRP HH2 H 1 7.116 0.020 . 1 . . . . . 21 TRP HH2 . 27853 1 242 . 1 1 21 21 TRP C C 13 175.283 0.3 . 1 . . . . . 21 TRP C . 27853 1 243 . 1 1 21 21 TRP CA C 13 56.484 0.3 . 1 . . . . . 21 TRP CA . 27853 1 244 . 1 1 21 21 TRP CB C 13 30.996 0.3 . 1 . . . . . 21 TRP CB . 27853 1 245 . 1 1 21 21 TRP CD1 C 13 125.088 0.3 . 1 . . . . . 21 TRP CD1 . 27853 1 246 . 1 1 21 21 TRP CE3 C 13 120.183 0.3 . 1 . . . . . 21 TRP CE3 . 27853 1 247 . 1 1 21 21 TRP CZ2 C 13 114.846 0.3 . 1 . . . . . 21 TRP CZ2 . 27853 1 248 . 1 1 21 21 TRP CZ3 C 13 122.140 0.3 . 1 . . . . . 21 TRP CZ3 . 27853 1 249 . 1 1 21 21 TRP CH2 C 13 124.158 0.3 . 1 . . . . . 21 TRP CH2 . 27853 1 250 . 1 1 21 21 TRP N N 15 118.634 0.3 . 1 . . . . . 21 TRP N . 27853 1 251 . 1 1 21 21 TRP NE1 N 15 128.384 0.3 . 1 . . . . . 21 TRP NE1 . 27853 1 252 . 1 1 22 22 ILE H H 1 7.202 0.020 . 1 . . . . . 22 ILE H . 27853 1 253 . 1 1 22 22 ILE HA H 1 4.747 0.020 . 1 . . . . . 22 ILE HA . 27853 1 254 . 1 1 22 22 ILE HB H 1 1.843 0.020 . 1 . . . . . 22 ILE HB . 27853 1 255 . 1 1 22 22 ILE HG12 H 1 1.408 0.020 . 1 . . . . . 22 ILE HG12 . 27853 1 256 . 1 1 22 22 ILE HG13 H 1 1.408 0.020 . 1 . . . . . 22 ILE HG13 . 27853 1 257 . 1 1 22 22 ILE HG21 H 1 0.874 0.020 . 1 . . . . . 22 ILE HG2 . 27853 1 258 . 1 1 22 22 ILE HG22 H 1 0.874 0.020 . 1 . . . . . 22 ILE HG2 . 27853 1 259 . 1 1 22 22 ILE HG23 H 1 0.874 0.020 . 1 . . . . . 22 ILE HG2 . 27853 1 260 . 1 1 22 22 ILE HD11 H 1 0.874 0.020 . 1 . . . . . 22 ILE HD1 . 27853 1 261 . 1 1 22 22 ILE HD12 H 1 0.874 0.020 . 1 . . . . . 22 ILE HD1 . 27853 1 262 . 1 1 22 22 ILE HD13 H 1 0.874 0.020 . 1 . . . . . 22 ILE HD1 . 27853 1 263 . 1 1 22 22 ILE C C 13 173.107 0.3 . 1 . . . . . 22 ILE C . 27853 1 264 . 1 1 22 22 ILE CA C 13 58.172 0.3 . 1 . . . . . 22 ILE CA . 27853 1 265 . 1 1 22 22 ILE CB C 13 42.587 0.3 . 1 . . . . . 22 ILE CB . 27853 1 266 . 1 1 22 22 ILE CG1 C 13 25.234 0.3 . 1 . . . . . 22 ILE CG1 . 27853 1 267 . 1 1 22 22 ILE CG2 C 13 18.604 0.3 . 1 . . . . . 22 ILE CG2 . 27853 1 268 . 1 1 22 22 ILE CD1 C 13 15.534 0.3 . 1 . . . . . 22 ILE CD1 . 27853 1 269 . 1 1 22 22 ILE N N 15 109.408 0.3 . 1 . . . . . 22 ILE N . 27853 1 270 . 1 1 23 23 SER H H 1 7.794 0.020 . 1 . . . . . 23 SER H . 27853 1 271 . 1 1 23 23 SER HA H 1 4.721 0.020 . 1 . . . . . 23 SER HA . 27853 1 272 . 1 1 23 23 SER HB2 H 1 4.413 0.020 . 2 . . . . . 23 SER HB2 . 27853 1 273 . 1 1 23 23 SER HB3 H 1 3.992 0.020 . 2 . . . . . 23 SER HB3 . 27853 1 274 . 1 1 23 23 SER C C 13 174.988 0.3 . 1 . . . . . 23 SER C . 27853 1 275 . 1 1 23 23 SER CA C 13 56.033 0.3 . 1 . . . . . 23 SER CA . 27853 1 276 . 1 1 23 23 SER CB C 13 65.972 0.3 . 1 . . . . . 23 SER CB . 27853 1 277 . 1 1 23 23 SER N N 15 115.978 0.3 . 1 . . . . . 23 SER N . 27853 1 278 . 1 1 24 24 ARG H H 1 8.944 0.020 . 1 . . . . . 24 ARG H . 27853 1 279 . 1 1 24 24 ARG HA H 1 3.857 0.020 . 1 . . . . . 24 ARG HA . 27853 1 280 . 1 1 24 24 ARG HB2 H 1 1.851 0.020 . 2 . . . . . 24 ARG HB2 . 27853 1 281 . 1 1 24 24 ARG HB3 H 1 1.851 0.020 . 1 . . . . . 24 ARG HB3 . 27853 1 282 . 1 1 24 24 ARG HG2 H 1 1.701 0.020 . 1 . . . . . 24 ARG HG2 . 27853 1 283 . 1 1 24 24 ARG HG3 H 1 1.701 0.020 . 1 . . . . . 24 ARG HG3 . 27853 1 284 . 1 1 24 24 ARG HD2 H 1 3.241 0.020 . 1 . . . . . 24 ARG HD2 . 27853 1 285 . 1 1 24 24 ARG HD3 H 1 3.241 0.020 . 1 . . . . . 24 ARG HD3 . 27853 1 286 . 1 1 24 24 ARG C C 13 178.239 0.3 . 1 . . . . . 24 ARG C . 27853 1 287 . 1 1 24 24 ARG CA C 13 59.775 0.3 . 1 . . . . . 24 ARG CA . 27853 1 288 . 1 1 24 24 ARG CB C 13 29.276 0.3 . 1 . . . . . 24 ARG CB . 27853 1 289 . 1 1 24 24 ARG CG C 13 27.543 0.3 . 1 . . . . . 24 ARG CG . 27853 1 290 . 1 1 24 24 ARG CD C 13 42.937 0.3 . 1 . . . . . 24 ARG CD . 27853 1 291 . 1 1 24 24 ARG N N 15 121.716 0.3 . 1 . . . . . 24 ARG N . 27853 1 292 . 1 1 25 25 GLU H H 1 8.923 0.020 . 1 . . . . . 25 GLU H . 27853 1 293 . 1 1 25 25 GLU HA H 1 3.999 0.020 . 1 . . . . . 25 GLU HA . 27853 1 294 . 1 1 25 25 GLU HB2 H 1 2.050 0.020 . 2 . . . . . 25 GLU HB2 . 27853 1 295 . 1 1 25 25 GLU HB3 H 1 1.952 0.020 . 2 . . . . . 25 GLU HB3 . 27853 1 296 . 1 1 25 25 GLU HG2 H 1 2.273 0.020 . 2 . . . . . 25 GLU HG2 . 27853 1 297 . 1 1 25 25 GLU HG3 H 1 2.453 0.020 . 2 . . . . . 25 GLU HG3 . 27853 1 298 . 1 1 25 25 GLU C C 13 178.650 0.3 . 1 . . . . . 25 GLU C . 27853 1 299 . 1 1 25 25 GLU CA C 13 60.371 0.3 . 1 . . . . . 25 GLU CA . 27853 1 300 . 1 1 25 25 GLU CB C 13 28.712 0.3 . 1 . . . . . 25 GLU CB . 27853 1 301 . 1 1 25 25 GLU CG C 13 36.933 0.3 . 1 . . . . . 25 GLU CG . 27853 1 302 . 1 1 25 25 GLU N N 15 118.570 0.3 . 1 . . . . . 25 GLU N . 27853 1 303 . 1 1 26 26 ALA H H 1 7.797 0.020 . 1 . . . . . 26 ALA H . 27853 1 304 . 1 1 26 26 ALA HA H 1 4.108 0.020 . 1 . . . . . 26 ALA HA . 27853 1 305 . 1 1 26 26 ALA HB1 H 1 1.464 0.020 . 1 . . . . . 26 ALA HB . 27853 1 306 . 1 1 26 26 ALA HB2 H 1 1.464 0.020 . 1 . . . . . 26 ALA HB . 27853 1 307 . 1 1 26 26 ALA HB3 H 1 1.464 0.020 . 1 . . . . . 26 ALA HB . 27853 1 308 . 1 1 26 26 ALA C C 13 180.516 0.3 . 1 . . . . . 26 ALA C . 27853 1 309 . 1 1 26 26 ALA CA C 13 54.764 0.3 . 1 . . . . . 26 ALA CA . 27853 1 310 . 1 1 26 26 ALA CB C 13 18.421 0.3 . 1 . . . . . 26 ALA CB . 27853 1 311 . 1 1 26 26 ALA N N 15 122.490 0.3 . 1 . . . . . 26 ALA N . 27853 1 312 . 1 1 27 27 LEU H H 1 7.797 0.020 . 1 . . . . . 27 LEU H . 27853 1 313 . 1 1 27 27 LEU HA H 1 3.901 0.020 . 1 . . . . . 27 LEU HA . 27853 1 314 . 1 1 27 27 LEU HB2 H 1 2.126 0.020 . 2 . . . . . 27 LEU HB2 . 27853 1 315 . 1 1 27 27 LEU HB3 H 1 1.434 0.020 . 2 . . . . . 27 LEU HB3 . 27853 1 316 . 1 1 27 27 LEU HG H 1 1.494 0.020 . 1 . . . . . 27 LEU HG . 27853 1 317 . 1 1 27 27 LEU HD11 H 1 0.729 0.020 . 2 . . . . . 27 LEU HD1 . 27853 1 318 . 1 1 27 27 LEU HD12 H 1 0.729 0.020 . 2 . . . . . 27 LEU HD1 . 27853 1 319 . 1 1 27 27 LEU HD13 H 1 0.729 0.020 . 2 . . . . . 27 LEU HD1 . 27853 1 320 . 1 1 27 27 LEU HD21 H 1 0.871 0.020 . 2 . . . . . 27 LEU HD2 . 27853 1 321 . 1 1 27 27 LEU HD22 H 1 0.871 0.020 . 2 . . . . . 27 LEU HD2 . 27853 1 322 . 1 1 27 27 LEU HD23 H 1 0.871 0.020 . 2 . . . . . 27 LEU HD2 . 27853 1 323 . 1 1 27 27 LEU C C 13 177.737 0.3 . 1 . . . . . 27 LEU C . 27853 1 324 . 1 1 27 27 LEU CA C 13 58.033 0.3 . 1 . . . . . 27 LEU CA . 27853 1 325 . 1 1 27 27 LEU CB C 13 41.109 0.3 . 1 . . . . . 27 LEU CB . 27853 1 326 . 1 1 27 27 LEU CG C 13 27.061 0.3 . 1 . . . . . 27 LEU CG . 27853 1 327 . 1 1 27 27 LEU CD1 C 13 23.582 0.3 . 1 . . . . . 27 LEU CD1 . 27853 1 328 . 1 1 27 27 LEU CD2 C 13 25.814 0.3 . 1 . . . . . 27 LEU CD2 . 27853 1 329 . 1 1 27 27 LEU N N 15 119.032 0.3 . 1 . . . . . 27 LEU N . 27853 1 330 . 1 1 28 28 GLU H H 1 8.291 0.020 . 1 . . . . . 28 GLU H . 27853 1 331 . 1 1 28 28 GLU HA H 1 3.904 0.020 . 1 . . . . . 28 GLU HA . 27853 1 332 . 1 1 28 28 GLU HB2 H 1 2.088 0.020 . 1 . . . . . 28 GLU HB2 . 27853 1 333 . 1 1 28 28 GLU HB3 H 1 2.088 0.020 . 1 . . . . . 28 GLU HB3 . 27853 1 334 . 1 1 28 28 GLU HG2 H 1 2.306 0.020 . 1 . . . . . 28 GLU HG2 . 27853 1 335 . 1 1 28 28 GLU HG3 H 1 2.306 0.020 . 1 . . . . . 28 GLU HG3 . 27853 1 336 . 1 1 28 28 GLU C C 13 179.558 0.3 . 1 . . . . . 28 GLU C . 27853 1 337 . 1 1 28 28 GLU CA C 13 59.878 0.3 . 1 . . . . . 28 GLU CA . 27853 1 338 . 1 1 28 28 GLU CB C 13 28.958 0.3 . 1 . . . . . 28 GLU CB . 27853 1 339 . 1 1 28 28 GLU CG C 13 33.745 0.3 . 1 . . . . . 28 GLU CG . 27853 1 340 . 1 1 28 28 GLU N N 15 117.680 0.3 . 1 . . . . . 28 GLU N . 27853 1 341 . 1 1 29 29 GLU H H 1 8.022 0.020 . 1 . . . . . 29 GLU H . 27853 1 342 . 1 1 29 29 GLU HA H 1 3.991 0.020 . 1 . . . . . 29 GLU HA . 27853 1 343 . 1 1 29 29 GLU HB2 H 1 2.147 0.020 . 2 . . . . . 29 GLU HB2 . 27853 1 344 . 1 1 29 29 GLU HB3 H 1 1.969 0.020 . 2 . . . . . 29 GLU HB3 . 27853 1 345 . 1 1 29 29 GLU HG2 H 1 2.515 0.020 . 1 . . . . . 29 GLU HG2 . 27853 1 346 . 1 1 29 29 GLU HG3 H 1 2.515 0.020 . 1 . . . . . 29 GLU HG3 . 27853 1 347 . 1 1 29 29 GLU C C 13 179.552 0.3 . 1 . . . . . 29 GLU C . 27853 1 348 . 1 1 29 29 GLU CA C 13 59.136 0.3 . 1 . . . . . 29 GLU CA . 27853 1 349 . 1 1 29 29 GLU CB C 13 29.740 0.3 . 1 . . . . . 29 GLU CB . 27853 1 350 . 1 1 29 29 GLU CG C 13 36.209 0.3 . 1 . . . . . 29 GLU CG . 27853 1 351 . 1 1 29 29 GLU N N 15 117.624 0.3 . 1 . . . . . 29 GLU N . 27853 1 352 . 1 1 30 30 ALA H H 1 8.135 0.020 . 1 . . . . . 30 ALA H . 27853 1 353 . 1 1 30 30 ALA HA H 1 4.012 0.020 . 1 . . . . . 30 ALA HA . 27853 1 354 . 1 1 30 30 ALA HB1 H 1 1.386 0.020 . 1 . . . . . 30 ALA HB . 27853 1 355 . 1 1 30 30 ALA HB2 H 1 1.386 0.020 . 1 . . . . . 30 ALA HB . 27853 1 356 . 1 1 30 30 ALA HB3 H 1 1.386 0.020 . 1 . . . . . 30 ALA HB . 27853 1 357 . 1 1 30 30 ALA C C 13 178.928 0.3 . 1 . . . . . 30 ALA C . 27853 1 358 . 1 1 30 30 ALA CA C 13 54.918 0.3 . 1 . . . . . 30 ALA CA . 27853 1 359 . 1 1 30 30 ALA CB C 13 19.056 0.3 . 1 . . . . . 30 ALA CB . 27853 1 360 . 1 1 30 30 ALA N N 15 122.823 0.3 . 1 . . . . . 30 ALA N . 27853 1 361 . 1 1 31 31 LEU H H 1 8.293 0.020 . 1 . . . . . 31 LEU H . 27853 1 362 . 1 1 31 31 LEU HA H 1 3.876 0.020 . 1 . . . . . 31 LEU HA . 27853 1 363 . 1 1 31 31 LEU HB2 H 1 1.926 0.020 . 2 . . . . . 31 LEU HB2 . 27853 1 364 . 1 1 31 31 LEU HB3 H 1 1.441 0.020 . 2 . . . . . 31 LEU HB3 . 27853 1 365 . 1 1 31 31 LEU HG H 1 1.529 0.020 . 1 . . . . . 31 LEU HG . 27853 1 366 . 1 1 31 31 LEU HD11 H 1 0.445 0.020 . 2 . . . . . 31 LEU HD1 . 27853 1 367 . 1 1 31 31 LEU HD12 H 1 0.445 0.020 . 2 . . . . . 31 LEU HD1 . 27853 1 368 . 1 1 31 31 LEU HD13 H 1 0.445 0.020 . 2 . . . . . 31 LEU HD1 . 27853 1 369 . 1 1 31 31 LEU HD21 H 1 0.646 0.020 . 2 . . . . . 31 LEU HD2 . 27853 1 370 . 1 1 31 31 LEU HD22 H 1 0.646 0.020 . 2 . . . . . 31 LEU HD2 . 27853 1 371 . 1 1 31 31 LEU HD23 H 1 0.646 0.020 . 2 . . . . . 31 LEU HD2 . 27853 1 372 . 1 1 31 31 LEU C C 13 180.297 0.3 . 1 . . . . . 31 LEU C . 27853 1 373 . 1 1 31 31 LEU CA C 13 57.916 0.3 . 1 . . . . . 31 LEU CA . 27853 1 374 . 1 1 31 31 LEU CB C 13 41.054 0.3 . 1 . . . . . 31 LEU CB . 27853 1 375 . 1 1 31 31 LEU CG C 13 26.561 0.3 . 1 . . . . . 31 LEU CG . 27853 1 376 . 1 1 31 31 LEU CD1 C 13 22.510 0.3 . 1 . . . . . 31 LEU CD1 . 27853 1 377 . 1 1 31 31 LEU CD2 C 13 25.432 0.3 . 1 . . . . . 31 LEU CD2 . 27853 1 378 . 1 1 31 31 LEU N N 15 119.063 0.3 . 1 . . . . . 31 LEU N . 27853 1 379 . 1 1 32 32 VAL H H 1 7.740 0.020 . 1 . . . . . 32 VAL H . 27853 1 380 . 1 1 32 32 VAL HA H 1 3.782 0.020 . 1 . . . . . 32 VAL HA . 27853 1 381 . 1 1 32 32 VAL HB H 1 2.173 0.020 . 1 . . . . . 32 VAL HB . 27853 1 382 . 1 1 32 32 VAL HG11 H 1 0.967 0.020 . 2 . . . . . 32 VAL HG1 . 27853 1 383 . 1 1 32 32 VAL HG12 H 1 0.967 0.020 . 2 . . . . . 32 VAL HG1 . 27853 1 384 . 1 1 32 32 VAL HG13 H 1 0.967 0.020 . 2 . . . . . 32 VAL HG1 . 27853 1 385 . 1 1 32 32 VAL HG21 H 1 1.095 0.020 . 2 . . . . . 32 VAL HG2 . 27853 1 386 . 1 1 32 32 VAL HG22 H 1 1.095 0.020 . 2 . . . . . 32 VAL HG2 . 27853 1 387 . 1 1 32 32 VAL HG23 H 1 1.095 0.020 . 2 . . . . . 32 VAL HG2 . 27853 1 388 . 1 1 32 32 VAL C C 13 178.868 0.3 . 1 . . . . . 32 VAL C . 27853 1 389 . 1 1 32 32 VAL CA C 13 66.475 0.3 . 1 . . . . . 32 VAL CA . 27853 1 390 . 1 1 32 32 VAL CB C 13 31.626 0.3 . 1 . . . . . 32 VAL CB . 27853 1 391 . 1 1 32 32 VAL CG1 C 13 21.138 0.3 . 1 . . . . . 32 VAL CG1 . 27853 1 392 . 1 1 32 32 VAL CG2 C 13 23.006 0.3 . 1 . . . . . 32 VAL CG2 . 27853 1 393 . 1 1 32 32 VAL N N 15 121.179 0.3 . 1 . . . . . 32 VAL N . 27853 1 394 . 1 1 33 33 GLU H H 1 7.869 0.020 . 1 . . . . . 33 GLU H . 27853 1 395 . 1 1 33 33 GLU HA H 1 4.076 0.020 . 1 . . . . . 33 GLU HA . 27853 1 396 . 1 1 33 33 GLU HB2 H 1 2.185 0.020 . 1 . . . . . 33 GLU HB2 . 27853 1 397 . 1 1 33 33 GLU HB3 H 1 2.185 0.020 . 1 . . . . . 33 GLU HB3 . 27853 1 398 . 1 1 33 33 GLU HG2 H 1 2.351 0.020 . 1 . . . . . 33 GLU HG2 . 27853 1 399 . 1 1 33 33 GLU HG3 H 1 2.351 0.020 . 1 . . . . . 33 GLU HG3 . 27853 1 400 . 1 1 33 33 GLU C C 13 179.568 0.3 . 1 . . . . . 33 GLU C . 27853 1 401 . 1 1 33 33 GLU CA C 13 59.618 0.3 . 1 . . . . . 33 GLU CA . 27853 1 402 . 1 1 33 33 GLU CB C 13 29.129 0.3 . 1 . . . . . 33 GLU CB . 27853 1 403 . 1 1 33 33 GLU CG C 13 36.208 0.3 . 1 . . . . . 33 GLU CG . 27853 1 404 . 1 1 33 33 GLU N N 15 121.372 0.3 . 1 . . . . . 33 GLU N . 27853 1 405 . 1 1 34 34 GLN H H 1 8.715 0.020 . 1 . . . . . 34 GLN H . 27853 1 406 . 1 1 34 34 GLN HA H 1 3.833 0.020 . 1 . . . . . 34 GLN HA . 27853 1 407 . 1 1 34 34 GLN HB2 H 1 2.339 0.020 . 2 . . . . . 34 GLN HB2 . 27853 1 408 . 1 1 34 34 GLN HB3 H 1 1.849 0.020 . 2 . . . . . 34 GLN HB3 . 27853 1 409 . 1 1 34 34 GLN HG2 H 1 2.534 0.020 . 1 . . . . . 34 GLN HG2 . 27853 1 410 . 1 1 34 34 GLN HG3 H 1 2.534 0.020 . 1 . . . . . 34 GLN HG3 . 27853 1 411 . 1 1 34 34 GLN HE21 H 1 7.521 0.020 . 1 . . . . . 34 GLN HE21 . 27853 1 412 . 1 1 34 34 GLN HE22 H 1 6.688 0.020 . 1 . . . . . 34 GLN HE22 . 27853 1 413 . 1 1 34 34 GLN C C 13 178.160 0.3 . 1 . . . . . 34 GLN C . 27853 1 414 . 1 1 34 34 GLN CA C 13 59.811 0.3 . 1 . . . . . 34 GLN CA . 27853 1 415 . 1 1 34 34 GLN CB C 13 29.249 0.3 . 1 . . . . . 34 GLN CB . 27853 1 416 . 1 1 34 34 GLN CG C 13 34.486 0.3 . 1 . . . . . 34 GLN CG . 27853 1 417 . 1 1 34 34 GLN N N 15 120.830 0.3 . 1 . . . . . 34 GLN N . 27853 1 418 . 1 1 34 34 GLN NE2 N 15 111.340 0.3 . 1 . . . . . 34 GLN NE2 . 27853 1 419 . 1 1 35 35 GLU H H 1 7.761 0.020 . 1 . . . . . 35 GLU H . 27853 1 420 . 1 1 35 35 GLU HA H 1 4.025 0.020 . 1 . . . . . 35 GLU HA . 27853 1 421 . 1 1 35 35 GLU HB2 H 1 2.276 0.020 . 2 . . . . . 35 GLU HB2 . 27853 1 422 . 1 1 35 35 GLU HB3 H 1 2.184 0.020 . 2 . . . . . 35 GLU HB3 . 27853 1 423 . 1 1 35 35 GLU HG2 H 1 2.583 0.020 . 1 . . . . . 35 GLU HG2 . 27853 1 424 . 1 1 35 35 GLU HG3 H 1 2.583 0.020 . 1 . . . . . 35 GLU HG3 . 27853 1 425 . 1 1 35 35 GLU C C 13 177.850 0.3 . 1 . . . . . 35 GLU C . 27853 1 426 . 1 1 35 35 GLU CA C 13 59.495 0.3 . 1 . . . . . 35 GLU CA . 27853 1 427 . 1 1 35 35 GLU CB C 13 28.633 0.3 . 1 . . . . . 35 GLU CB . 27853 1 428 . 1 1 35 35 GLU CG C 13 36.114 0.3 . 1 . . . . . 35 GLU CG . 27853 1 429 . 1 1 35 35 GLU N N 15 120.090 0.3 . 1 . . . . . 35 GLU N . 27853 1 430 . 1 1 36 36 LYS H H 1 7.403 0.020 . 1 . . . . . 36 LYS H . 27853 1 431 . 1 1 36 36 LYS HA H 1 4.308 0.020 . 1 . . . . . 36 LYS HA . 27853 1 432 . 1 1 36 36 LYS HB2 H 1 1.998 0.020 . 2 . . . . . 36 LYS HB2 . 27853 1 433 . 1 1 36 36 LYS HB3 H 1 2.043 0.020 . 2 . . . . . 36 LYS HB3 . 27853 1 434 . 1 1 36 36 LYS HG2 H 1 1.615 0.020 . 2 . . . . . 36 LYS HG2 . 27853 1 435 . 1 1 36 36 LYS HG3 H 1 1.467 0.020 . 2 . . . . . 36 LYS HG3 . 27853 1 436 . 1 1 36 36 LYS HD2 H 1 1.688 0.020 . 1 . . . . . 36 LYS HD2 . 27853 1 437 . 1 1 36 36 LYS HD3 H 1 1.688 0.020 . 1 . . . . . 36 LYS HD3 . 27853 1 438 . 1 1 36 36 LYS HE2 H 1 2.961 0.020 . 1 . . . . . 36 LYS HE2 . 27853 1 439 . 1 1 36 36 LYS HE3 H 1 2.961 0.020 . 1 . . . . . 36 LYS HE3 . 27853 1 440 . 1 1 36 36 LYS C C 13 178.472 0.3 . 1 . . . . . 36 LYS C . 27853 1 441 . 1 1 36 36 LYS CA C 13 58.080 0.3 . 1 . . . . . 36 LYS CA . 27853 1 442 . 1 1 36 36 LYS CB C 13 33.459 0.3 . 1 . . . . . 36 LYS CB . 27853 1 443 . 1 1 36 36 LYS CG C 13 24.951 0.3 . 1 . . . . . 36 LYS CG . 27853 1 444 . 1 1 36 36 LYS CD C 13 29.089 0.3 . 1 . . . . . 36 LYS CD . 27853 1 445 . 1 1 36 36 LYS CE C 13 42.104 0.3 . 1 . . . . . 36 LYS CE . 27853 1 446 . 1 1 36 36 LYS N N 15 115.183 0.3 . 1 . . . . . 36 LYS N . 27853 1 447 . 1 1 37 37 THR H H 1 8.190 0.020 . 1 . . . . . 37 THR H . 27853 1 448 . 1 1 37 37 THR HA H 1 4.454 0.020 . 1 . . . . . 37 THR HA . 27853 1 449 . 1 1 37 37 THR HB H 1 4.269 0.020 . 1 . . . . . 37 THR HB . 27853 1 450 . 1 1 37 37 THR HG21 H 1 1.277 0.020 . 1 . . . . . 37 THR HG2 . 27853 1 451 . 1 1 37 37 THR HG22 H 1 1.277 0.020 . 1 . . . . . 37 THR HG2 . 27853 1 452 . 1 1 37 37 THR HG23 H 1 1.277 0.020 . 1 . . . . . 37 THR HG2 . 27853 1 453 . 1 1 37 37 THR C C 13 176.665 0.3 . 1 . . . . . 37 THR C . 27853 1 454 . 1 1 37 37 THR CA C 13 62.500 0.3 . 1 . . . . . 37 THR CA . 27853 1 455 . 1 1 37 37 THR CB C 13 71.585 0.3 . 1 . . . . . 37 THR CB . 27853 1 456 . 1 1 37 37 THR CG2 C 13 21.624 0.3 . 1 . . . . . 37 THR CG2 . 27853 1 457 . 1 1 37 37 THR N N 15 107.206 0.3 . 1 . . . . . 37 THR N . 27853 1 458 . 1 1 38 38 GLY H H 1 9.074 0.020 . 1 . . . . . 38 GLY H . 27853 1 459 . 1 1 38 38 GLY HA2 H 1 4.091 0.020 . 2 . . . . . 38 GLY HA2 . 27853 1 460 . 1 1 38 38 GLY HA3 H 1 3.793 0.020 . 2 . . . . . 38 GLY HA3 . 27853 1 461 . 1 1 38 38 GLY C C 13 173.912 0.3 . 1 . . . . . 38 GLY C . 27853 1 462 . 1 1 38 38 GLY CA C 13 45.583 0.3 . 1 . . . . . 38 GLY CA . 27853 1 463 . 1 1 38 38 GLY N N 15 112.107 0.3 . 1 . . . . . 38 GLY N . 27853 1 464 . 1 1 39 39 ASP H H 1 7.369 0.020 . 1 . . . . . 39 ASP H . 27853 1 465 . 1 1 39 39 ASP HA H 1 4.598 0.020 . 1 . . . . . 39 ASP HA . 27853 1 466 . 1 1 39 39 ASP HB2 H 1 2.555 0.020 . 2 . . . . . 39 ASP HB2 . 27853 1 467 . 1 1 39 39 ASP HB3 H 1 2.555 0.020 . 1 . . . . . 39 ASP HB3 . 27853 1 468 . 1 1 39 39 ASP C C 13 175.540 0.3 . 1 . . . . . 39 ASP C . 27853 1 469 . 1 1 39 39 ASP CA C 13 53.868 0.3 . 1 . . . . . 39 ASP CA . 27853 1 470 . 1 1 39 39 ASP CB C 13 41.840 0.3 . 1 . . . . . 39 ASP CB . 27853 1 471 . 1 1 39 39 ASP N N 15 118.871 0.3 . 1 . . . . . 39 ASP N . 27853 1 472 . 1 1 40 40 LEU H H 1 8.359 0.020 . 1 . . . . . 40 LEU H . 27853 1 473 . 1 1 40 40 LEU HA H 1 3.951 0.020 . 1 . . . . . 40 LEU HA . 27853 1 474 . 1 1 40 40 LEU HB2 H 1 1.293 0.020 . 2 . . . . . 40 LEU HB2 . 27853 1 475 . 1 1 40 40 LEU HB3 H 1 1.078 0.020 . 2 . . . . . 40 LEU HB3 . 27853 1 476 . 1 1 40 40 LEU HG H 1 1.527 0.020 . 1 . . . . . 40 LEU HG . 27853 1 477 . 1 1 40 40 LEU HD11 H 1 0.379 0.020 . 2 . . . . . 40 LEU HD1 . 27853 1 478 . 1 1 40 40 LEU HD12 H 1 0.379 0.020 . 2 . . . . . 40 LEU HD1 . 27853 1 479 . 1 1 40 40 LEU HD13 H 1 0.379 0.020 . 2 . . . . . 40 LEU HD1 . 27853 1 480 . 1 1 40 40 LEU HD21 H 1 0.397 0.020 . 2 . . . . . 40 LEU HD2 . 27853 1 481 . 1 1 40 40 LEU HD22 H 1 0.397 0.020 . 2 . . . . . 40 LEU HD2 . 27853 1 482 . 1 1 40 40 LEU HD23 H 1 0.397 0.020 . 2 . . . . . 40 LEU HD2 . 27853 1 483 . 1 1 40 40 LEU C C 13 178.040 0.3 . 1 . . . . . 40 LEU C . 27853 1 484 . 1 1 40 40 LEU CA C 13 54.701 0.3 . 1 . . . . . 40 LEU CA . 27853 1 485 . 1 1 40 40 LEU CB C 13 43.183 0.3 . 1 . . . . . 40 LEU CB . 27853 1 486 . 1 1 40 40 LEU CG C 13 26.258 0.3 . 1 . . . . . 40 LEU CG . 27853 1 487 . 1 1 40 40 LEU CD1 C 13 24.710 0.3 . 1 . . . . . 40 LEU CD1 . 27853 1 488 . 1 1 40 40 LEU CD2 C 13 22.796 0.3 . 1 . . . . . 40 LEU CD2 . 27853 1 489 . 1 1 40 40 LEU N N 15 121.024 0.3 . 1 . . . . . 40 LEU N . 27853 1 490 . 1 1 41 41 LEU H H 1 9.282 0.020 . 1 . . . . . 41 LEU H . 27853 1 491 . 1 1 41 41 LEU HA H 1 3.765 0.020 . 1 . . . . . 41 LEU HA . 27853 1 492 . 1 1 41 41 LEU HB2 H 1 1.703 0.020 . 1 . . . . . 41 LEU HB2 . 27853 1 493 . 1 1 41 41 LEU HB3 H 1 1.703 0.020 . 1 . . . . . 41 LEU HB3 . 27853 1 494 . 1 1 41 41 LEU HG H 1 1.419 0.020 . 1 . . . . . 41 LEU HG . 27853 1 495 . 1 1 41 41 LEU HD11 H 1 0.567 0.020 . 2 . . . . . 41 LEU HD1 . 27853 1 496 . 1 1 41 41 LEU HD12 H 1 0.567 0.020 . 2 . . . . . 41 LEU HD1 . 27853 1 497 . 1 1 41 41 LEU HD13 H 1 0.567 0.020 . 2 . . . . . 41 LEU HD1 . 27853 1 498 . 1 1 41 41 LEU HD21 H 1 0.436 0.020 . 2 . . . . . 41 LEU HD2 . 27853 1 499 . 1 1 41 41 LEU HD22 H 1 0.436 0.020 . 2 . . . . . 41 LEU HD2 . 27853 1 500 . 1 1 41 41 LEU HD23 H 1 0.436 0.020 . 2 . . . . . 41 LEU HD2 . 27853 1 501 . 1 1 41 41 LEU C C 13 179.062 0.3 . 1 . . . . . 41 LEU C . 27853 1 502 . 1 1 41 41 LEU CA C 13 58.163 0.3 . 1 . . . . . 41 LEU CA . 27853 1 503 . 1 1 41 41 LEU CB C 13 42.897 0.3 . 1 . . . . . 41 LEU CB . 27853 1 504 . 1 1 41 41 LEU CG C 13 26.568 0.3 . 1 . . . . . 41 LEU CG . 27853 1 505 . 1 1 41 41 LEU CD1 C 13 26.717 0.3 . 1 . . . . . 41 LEU CD1 . 27853 1 506 . 1 1 41 41 LEU CD2 C 13 26.668 0.3 . 1 . . . . . 41 LEU CD2 . 27853 1 507 . 1 1 41 41 LEU N N 15 123.183 0.3 . 1 . . . . . 41 LEU N . 27853 1 508 . 1 1 42 42 GLY H H 1 10.067 0.020 . 1 . . . . . 42 GLY H . 27853 1 509 . 1 1 42 42 GLY HA2 H 1 4.316 0.020 . 2 . . . . . 42 GLY HA2 . 27853 1 510 . 1 1 42 42 GLY HA3 H 1 3.332 0.020 . 2 . . . . . 42 GLY HA3 . 27853 1 511 . 1 1 42 42 GLY C C 13 175.199 0.3 . 1 . . . . . 42 GLY C . 27853 1 512 . 1 1 42 42 GLY CA C 13 48.914 0.3 . 1 . . . . . 42 GLY CA . 27853 1 513 . 1 1 42 42 GLY N N 15 107.239 0.3 . 1 . . . . . 42 GLY N . 27853 1 514 . 1 1 43 43 ARG H H 1 6.925 0.020 . 1 . . . . . 43 ARG H . 27853 1 515 . 1 1 43 43 ARG HA H 1 3.969 0.020 . 1 . . . . . 43 ARG HA . 27853 1 516 . 1 1 43 43 ARG HB2 H 1 1.921 0.020 . 1 . . . . . 43 ARG HB2 . 27853 1 517 . 1 1 43 43 ARG HB3 H 1 1.921 0.020 . 1 . . . . . 43 ARG HB3 . 27853 1 518 . 1 1 43 43 ARG HG2 H 1 1.783 0.020 . 2 . . . . . 43 ARG HG2 . 27853 1 519 . 1 1 43 43 ARG HG3 H 1 1.908 0.020 . 2 . . . . . 43 ARG HG3 . 27853 1 520 . 1 1 43 43 ARG HD2 H 1 3.336 0.020 . 1 . . . . . 43 ARG HD2 . 27853 1 521 . 1 1 43 43 ARG HD3 H 1 3.336 0.020 . 1 . . . . . 43 ARG HD3 . 27853 1 522 . 1 1 43 43 ARG C C 13 179.546 0.3 . 1 . . . . . 43 ARG C . 27853 1 523 . 1 1 43 43 ARG CA C 13 58.651 0.3 . 1 . . . . . 43 ARG CA . 27853 1 524 . 1 1 43 43 ARG CB C 13 30.086 0.3 . 1 . . . . . 43 ARG CB . 27853 1 525 . 1 1 43 43 ARG CG C 13 26.753 0.3 . 1 . . . . . 43 ARG CG . 27853 1 526 . 1 1 43 43 ARG CD C 13 43.161 0.3 . 1 . . . . . 43 ARG CD . 27853 1 527 . 1 1 43 43 ARG N N 15 119.562 0.3 . 1 . . . . . 43 ARG N . 27853 1 528 . 1 1 44 44 ILE H H 1 7.510 0.020 . 1 . . . . . 44 ILE H . 27853 1 529 . 1 1 44 44 ILE HA H 1 3.547 0.020 . 1 . . . . . 44 ILE HA . 27853 1 530 . 1 1 44 44 ILE HB H 1 1.954 0.020 . 1 . . . . . 44 ILE HB . 27853 1 531 . 1 1 44 44 ILE HG12 H 1 1.749 0.020 . 1 . . . . . 44 ILE HG12 . 27853 1 532 . 1 1 44 44 ILE HG13 H 1 1.749 0.020 . 1 . . . . . 44 ILE HG13 . 27853 1 533 . 1 1 44 44 ILE HG21 H 1 0.889 0.020 . 1 . . . . . 44 ILE HG2 . 27853 1 534 . 1 1 44 44 ILE HG22 H 1 0.889 0.020 . 1 . . . . . 44 ILE HG2 . 27853 1 535 . 1 1 44 44 ILE HG23 H 1 0.889 0.020 . 1 . . . . . 44 ILE HG2 . 27853 1 536 . 1 1 44 44 ILE HD11 H 1 0.755 0.020 . 1 . . . . . 44 ILE HD1 . 27853 1 537 . 1 1 44 44 ILE HD12 H 1 0.755 0.020 . 1 . . . . . 44 ILE HD1 . 27853 1 538 . 1 1 44 44 ILE HD13 H 1 0.755 0.020 . 1 . . . . . 44 ILE HD1 . 27853 1 539 . 1 1 44 44 ILE C C 13 178.049 0.3 . 1 . . . . . 44 ILE C . 27853 1 540 . 1 1 44 44 ILE CA C 13 65.318 0.3 . 1 . . . . . 44 ILE CA . 27853 1 541 . 1 1 44 44 ILE CB C 13 38.336 0.3 . 1 . . . . . 44 ILE CB . 27853 1 542 . 1 1 44 44 ILE CG1 C 13 28.325 0.3 . 1 . . . . . 44 ILE CG1 . 27853 1 543 . 1 1 44 44 ILE CG2 C 13 17.689 0.3 . 1 . . . . . 44 ILE CG2 . 27853 1 544 . 1 1 44 44 ILE CD1 C 13 13.901 0.3 . 1 . . . . . 44 ILE CD1 . 27853 1 545 . 1 1 44 44 ILE N N 15 120.173 0.3 . 1 . . . . . 44 ILE N . 27853 1 546 . 1 1 45 45 LEU H H 1 8.300 0.020 . 1 . . . . . 45 LEU H . 27853 1 547 . 1 1 45 45 LEU HA H 1 3.879 0.020 . 1 . . . . . 45 LEU HA . 27853 1 548 . 1 1 45 45 LEU HB2 H 1 1.933 0.020 . 2 . . . . . 45 LEU HB2 . 27853 1 549 . 1 1 45 45 LEU HB3 H 1 1.282 0.020 . 2 . . . . . 45 LEU HB3 . 27853 1 550 . 1 1 45 45 LEU HG H 1 1.722 0.020 . 1 . . . . . 45 LEU HG . 27853 1 551 . 1 1 45 45 LEU HD11 H 1 0.717 0.020 . 2 . . . . . 45 LEU HD1 . 27853 1 552 . 1 1 45 45 LEU HD12 H 1 0.717 0.020 . 2 . . . . . 45 LEU HD1 . 27853 1 553 . 1 1 45 45 LEU HD13 H 1 0.717 0.020 . 2 . . . . . 45 LEU HD1 . 27853 1 554 . 1 1 45 45 LEU HD21 H 1 0.633 0.020 . 2 . . . . . 45 LEU HD2 . 27853 1 555 . 1 1 45 45 LEU HD22 H 1 0.633 0.020 . 2 . . . . . 45 LEU HD2 . 27853 1 556 . 1 1 45 45 LEU HD23 H 1 0.633 0.020 . 2 . . . . . 45 LEU HD2 . 27853 1 557 . 1 1 45 45 LEU C C 13 180.238 0.3 . 1 . . . . . 45 LEU C . 27853 1 558 . 1 1 45 45 LEU CA C 13 57.904 0.3 . 1 . . . . . 45 LEU CA . 27853 1 559 . 1 1 45 45 LEU CB C 13 41.373 0.3 . 1 . . . . . 45 LEU CB . 27853 1 560 . 1 1 45 45 LEU CG C 13 26.646 0.3 . 1 . . . . . 45 LEU CG . 27853 1 561 . 1 1 45 45 LEU CD1 C 13 22.874 0.3 . 1 . . . . . 45 LEU CD1 . 27853 1 562 . 1 1 45 45 LEU CD2 C 13 26.593 0.3 . 1 . . . . . 45 LEU CD2 . 27853 1 563 . 1 1 45 45 LEU N N 15 117.559 0.3 . 1 . . . . . 45 LEU N . 27853 1 564 . 1 1 46 46 VAL H H 1 8.592 0.020 . 1 . . . . . 46 VAL H . 27853 1 565 . 1 1 46 46 VAL HA H 1 4.769 0.020 . 1 . . . . . 46 VAL HA . 27853 1 566 . 1 1 46 46 VAL HB H 1 2.170 0.020 . 1 . . . . . 46 VAL HB . 27853 1 567 . 1 1 46 46 VAL HG11 H 1 1.088 0.020 . 2 . . . . . 46 VAL HG1 . 27853 1 568 . 1 1 46 46 VAL HG12 H 1 1.088 0.020 . 2 . . . . . 46 VAL HG1 . 27853 1 569 . 1 1 46 46 VAL HG13 H 1 1.088 0.020 . 2 . . . . . 46 VAL HG1 . 27853 1 570 . 1 1 46 46 VAL HG21 H 1 1.047 0.020 . 2 . . . . . 46 VAL HG2 . 27853 1 571 . 1 1 46 46 VAL HG22 H 1 1.047 0.020 . 2 . . . . . 46 VAL HG2 . 27853 1 572 . 1 1 46 46 VAL HG23 H 1 1.047 0.020 . 2 . . . . . 46 VAL HG2 . 27853 1 573 . 1 1 46 46 VAL C C 13 180.646 0.3 . 1 . . . . . 46 VAL C . 27853 1 574 . 1 1 46 46 VAL CA C 13 64.872 0.3 . 1 . . . . . 46 VAL CA . 27853 1 575 . 1 1 46 46 VAL CB C 13 31.897 0.3 . 1 . . . . . 46 VAL CB . 27853 1 576 . 1 1 46 46 VAL CG1 C 13 23.462 0.3 . 1 . . . . . 46 VAL CG1 . 27853 1 577 . 1 1 46 46 VAL CG2 C 13 20.902 0.3 . 1 . . . . . 46 VAL CG2 . 27853 1 578 . 1 1 46 46 VAL N N 15 121.985 0.3 . 1 . . . . . 46 VAL N . 27853 1 579 . 1 1 47 47 ARG H H 1 7.772 0.020 . 1 . . . . . 47 ARG H . 27853 1 580 . 1 1 47 47 ARG HA H 1 4.149 0.020 . 1 . . . . . 47 ARG HA . 27853 1 581 . 1 1 47 47 ARG HB2 H 1 2.123 0.020 . 2 . . . . . 47 ARG HB2 . 27853 1 582 . 1 1 47 47 ARG HB3 H 1 1.982 0.020 . 2 . . . . . 47 ARG HB3 . 27853 1 583 . 1 1 47 47 ARG HG2 H 1 1.708 0.020 . 1 . . . . . 47 ARG HG2 . 27853 1 584 . 1 1 47 47 ARG HG3 H 1 1.708 0.020 . 1 . . . . . 47 ARG HG3 . 27853 1 585 . 1 1 47 47 ARG HD2 H 1 3.260 0.020 . 2 . . . . . 47 ARG HD2 . 27853 1 586 . 1 1 47 47 ARG HD3 H 1 3.260 0.020 . 2 . . . . . 47 ARG HD3 . 27853 1 587 . 1 1 47 47 ARG C C 13 178.352 0.3 . 1 . . . . . 47 ARG C . 27853 1 588 . 1 1 47 47 ARG CA C 13 59.538 0.3 . 1 . . . . . 47 ARG CA . 27853 1 589 . 1 1 47 47 ARG CB C 13 29.934 0.3 . 1 . . . . . 47 ARG CB . 27853 1 590 . 1 1 47 47 ARG CG C 13 28.425 0.3 . 1 . . . . . 47 ARG CG . 27853 1 591 . 1 1 47 47 ARG CD C 13 43.770 0.3 . 1 . . . . . 47 ARG CD . 27853 1 592 . 1 1 47 47 ARG N N 15 122.080 0.3 . 1 . . . . . 47 ARG N . 27853 1 593 . 1 1 48 48 LYS H H 1 7.534 0.020 . 1 . . . . . 48 LYS H . 27853 1 594 . 1 1 48 48 LYS HA H 1 4.326 0.020 . 1 . . . . . 48 LYS HA . 27853 1 595 . 1 1 48 48 LYS HB2 H 1 2.239 0.020 . 2 . . . . . 48 LYS HB2 . 27853 1 596 . 1 1 48 48 LYS HB3 H 1 1.794 0.020 . 2 . . . . . 48 LYS HB3 . 27853 1 597 . 1 1 48 48 LYS HG2 H 1 1.681 0.020 . 2 . . . . . 48 LYS HG2 . 27853 1 598 . 1 1 48 48 LYS HG3 H 1 1.516 0.020 . 2 . . . . . 48 LYS HG3 . 27853 1 599 . 1 1 48 48 LYS HD2 H 1 1.611 0.020 . 1 . . . . . 48 LYS HD2 . 27853 1 600 . 1 1 48 48 LYS HD3 H 1 1.611 0.020 . 1 . . . . . 48 LYS HD3 . 27853 1 601 . 1 1 48 48 LYS HE2 H 1 2.907 0.020 . 1 . . . . . 48 LYS HE2 . 27853 1 602 . 1 1 48 48 LYS HE3 H 1 2.907 0.020 . 1 . . . . . 48 LYS HE3 . 27853 1 603 . 1 1 48 48 LYS C C 13 176.416 0.3 . 1 . . . . . 48 LYS C . 27853 1 604 . 1 1 48 48 LYS CA C 13 56.286 0.3 . 1 . . . . . 48 LYS CA . 27853 1 605 . 1 1 48 48 LYS CB C 13 32.309 0.3 . 1 . . . . . 48 LYS CB . 27853 1 606 . 1 1 48 48 LYS CG C 13 24.668 0.3 . 1 . . . . . 48 LYS CG . 27853 1 607 . 1 1 48 48 LYS CD C 13 28.891 0.3 . 1 . . . . . 48 LYS CD . 27853 1 608 . 1 1 48 48 LYS CE C 13 41.625 0.3 . 1 . . . . . 48 LYS CE . 27853 1 609 . 1 1 48 48 LYS N N 15 116.473 0.3 . 1 . . . . . 48 LYS N . 27853 1 610 . 1 1 49 49 GLY H H 1 7.618 0.020 . 1 . . . . . 49 GLY H . 27853 1 611 . 1 1 49 49 GLY HA2 H 1 3.629 0.020 . 1 . . . . . 49 GLY HA2 . 27853 1 612 . 1 1 49 49 GLY HA3 H 1 3.629 0.020 . 1 . . . . . 49 GLY HA3 . 27853 1 613 . 1 1 49 49 GLY C C 13 174.428 0.3 . 1 . . . . . 49 GLY C . 27853 1 614 . 1 1 49 49 GLY CA C 13 45.127 0.3 . 1 . . . . . 49 GLY CA . 27853 1 615 . 1 1 49 49 GLY N N 15 106.391 0.3 . 1 . . . . . 49 GLY N . 27853 1 616 . 1 1 50 50 LEU H H 1 8.237 0.020 . 1 . . . . . 50 LEU H . 27853 1 617 . 1 1 50 50 LEU HA H 1 4.392 0.020 . 1 . . . . . 50 LEU HA . 27853 1 618 . 1 1 50 50 LEU HB2 H 1 1.319 0.020 . 2 . . . . . 50 LEU HB2 . 27853 1 619 . 1 1 50 50 LEU HB3 H 1 1.234 0.020 . 2 . . . . . 50 LEU HB3 . 27853 1 620 . 1 1 50 50 LEU HG H 1 1.391 0.020 . 1 . . . . . 50 LEU HG . 27853 1 621 . 1 1 50 50 LEU HD11 H 1 0.496 0.020 . 2 . . . . . 50 LEU HD1 . 27853 1 622 . 1 1 50 50 LEU HD12 H 1 0.496 0.020 . 2 . . . . . 50 LEU HD1 . 27853 1 623 . 1 1 50 50 LEU HD13 H 1 0.496 0.020 . 2 . . . . . 50 LEU HD1 . 27853 1 624 . 1 1 50 50 LEU HD21 H 1 0.587 0.020 . 2 . . . . . 50 LEU HD2 . 27853 1 625 . 1 1 50 50 LEU HD22 H 1 0.587 0.020 . 2 . . . . . 50 LEU HD2 . 27853 1 626 . 1 1 50 50 LEU HD23 H 1 0.587 0.020 . 2 . . . . . 50 LEU HD2 . 27853 1 627 . 1 1 50 50 LEU C C 13 174.719 0.3 . 1 . . . . . 50 LEU C . 27853 1 628 . 1 1 50 50 LEU CA C 13 52.940 0.3 . 1 . . . . . 50 LEU CA . 27853 1 629 . 1 1 50 50 LEU CB C 13 42.900 0.3 . 1 . . . . . 50 LEU CB . 27853 1 630 . 1 1 50 50 LEU CG C 13 26.243 0.3 . 1 . . . . . 50 LEU CG . 27853 1 631 . 1 1 50 50 LEU CD1 C 13 24.878 0.3 . 1 . . . . . 50 LEU CD1 . 27853 1 632 . 1 1 50 50 LEU CD2 C 13 24.183 0.3 . 1 . . . . . 50 LEU CD2 . 27853 1 633 . 1 1 50 50 LEU N N 15 126.986 0.3 . 1 . . . . . 50 LEU N . 27853 1 634 . 1 1 51 51 PRO HA H 1 4.427 0.020 . 1 . . . . . 51 PRO HA . 27853 1 635 . 1 1 51 51 PRO HB2 H 1 2.504 0.020 . 2 . . . . . 51 PRO HB2 . 27853 1 636 . 1 1 51 51 PRO HB3 H 1 1.669 0.020 . 2 . . . . . 51 PRO HB3 . 27853 1 637 . 1 1 51 51 PRO HG2 H 1 2.026 0.020 . 1 . . . . . 51 PRO HG2 . 27853 1 638 . 1 1 51 51 PRO HG3 H 1 2.026 0.020 . 1 . . . . . 51 PRO HG3 . 27853 1 639 . 1 1 51 51 PRO HD2 H 1 3.316 0.020 . 2 . . . . . 51 PRO HD2 . 27853 1 640 . 1 1 51 51 PRO HD3 H 1 4.250 0.020 . 2 . . . . . 51 PRO HD3 . 27853 1 641 . 1 1 51 51 PRO C C 13 178.336 0.3 . 1 . . . . . 51 PRO C . 27853 1 642 . 1 1 51 51 PRO CA C 13 63.012 0.3 . 1 . . . . . 51 PRO CA . 27853 1 643 . 1 1 51 51 PRO CB C 13 32.359 0.3 . 1 . . . . . 51 PRO CB . 27853 1 644 . 1 1 51 51 PRO CG C 13 28.167 0.3 . 1 . . . . . 51 PRO CG . 27853 1 645 . 1 1 51 51 PRO CD C 13 51.099 0.3 . 1 . . . . . 51 PRO CD . 27853 1 646 . 1 1 52 52 GLU H H 1 9.044 0.020 . 1 . . . . . 52 GLU H . 27853 1 647 . 1 1 52 52 GLU HA H 1 3.898 0.020 . 1 . . . . . 52 GLU HA . 27853 1 648 . 1 1 52 52 GLU HB2 H 1 2.114 0.020 . 1 . . . . . 52 GLU HB2 . 27853 1 649 . 1 1 52 52 GLU HB3 H 1 2.114 0.020 . 1 . . . . . 52 GLU HB3 . 27853 1 650 . 1 1 52 52 GLU HG2 H 1 2.394 0.020 . 1 . . . . . 52 GLU HG2 . 27853 1 651 . 1 1 52 52 GLU HG3 H 1 2.394 0.020 . 1 . . . . . 52 GLU HG3 . 27853 1 652 . 1 1 52 52 GLU C C 13 178.460 0.3 . 1 . . . . . 52 GLU C . 27853 1 653 . 1 1 52 52 GLU CA C 13 60.106 0.3 . 1 . . . . . 52 GLU CA . 27853 1 654 . 1 1 52 52 GLU CB C 13 29.916 0.3 . 1 . . . . . 52 GLU CB . 27853 1 655 . 1 1 52 52 GLU CG C 13 37.544 0.3 . 1 . . . . . 52 GLU CG . 27853 1 656 . 1 1 52 52 GLU N N 15 126.737 0.3 . 1 . . . . . 52 GLU N . 27853 1 657 . 1 1 53 53 GLU H H 1 9.280 0.020 . 1 . . . . . 53 GLU H . 27853 1 658 . 1 1 53 53 GLU HA H 1 3.873 0.020 . 1 . . . . . 53 GLU HA . 27853 1 659 . 1 1 53 53 GLU HB2 H 1 2.160 0.020 . 2 . . . . . 53 GLU HB2 . 27853 1 660 . 1 1 53 53 GLU HB3 H 1 1.899 0.020 . 2 . . . . . 53 GLU HB3 . 27853 1 661 . 1 1 53 53 GLU HG2 H 1 2.361 0.020 . 1 . . . . . 53 GLU HG2 . 27853 1 662 . 1 1 53 53 GLU HG3 H 1 2.361 0.020 . 1 . . . . . 53 GLU HG3 . 27853 1 663 . 1 1 53 53 GLU C C 13 177.227 0.3 . 1 . . . . . 53 GLU C . 27853 1 664 . 1 1 53 53 GLU CA C 13 60.333 0.3 . 1 . . . . . 53 GLU CA . 27853 1 665 . 1 1 53 53 GLU CB C 13 28.952 0.3 . 1 . . . . . 53 GLU CB . 27853 1 666 . 1 1 53 53 GLU CG C 13 36.216 0.3 . 1 . . . . . 53 GLU CG . 27853 1 667 . 1 1 53 53 GLU N N 15 116.659 0.3 . 1 . . . . . 53 GLU N . 27853 1 668 . 1 1 54 54 ALA H H 1 6.626 0.020 . 1 . . . . . 54 ALA H . 27853 1 669 . 1 1 54 54 ALA HA H 1 3.571 0.020 . 1 . . . . . 54 ALA HA . 27853 1 670 . 1 1 54 54 ALA HB1 H 1 0.804 0.020 . 1 . . . . . 54 ALA HB . 27853 1 671 . 1 1 54 54 ALA HB2 H 1 0.804 0.020 . 1 . . . . . 54 ALA HB . 27853 1 672 . 1 1 54 54 ALA HB3 H 1 0.804 0.020 . 1 . . . . . 54 ALA HB . 27853 1 673 . 1 1 54 54 ALA C C 13 179.209 0.3 . 1 . . . . . 54 ALA C . 27853 1 674 . 1 1 54 54 ALA CA C 13 54.449 0.3 . 1 . . . . . 54 ALA CA . 27853 1 675 . 1 1 54 54 ALA CB C 13 17.342 0.3 . 1 . . . . . 54 ALA CB . 27853 1 676 . 1 1 54 54 ALA N N 15 119.782 0.3 . 1 . . . . . 54 ALA N . 27853 1 677 . 1 1 55 55 LEU H H 1 7.308 0.020 . 1 . . . . . 55 LEU H . 27853 1 678 . 1 1 55 55 LEU HA H 1 3.772 0.020 . 1 . . . . . 55 LEU HA . 27853 1 679 . 1 1 55 55 LEU HB2 H 1 2.268 0.020 . 2 . . . . . 55 LEU HB2 . 27853 1 680 . 1 1 55 55 LEU HB3 H 1 1.240 0.020 . 2 . . . . . 55 LEU HB3 . 27853 1 681 . 1 1 55 55 LEU HG H 1 1.064 0.020 . 1 . . . . . 55 LEU HG . 27853 1 682 . 1 1 55 55 LEU HD11 H 1 0.830 0.020 . 2 . . . . . 55 LEU HD1 . 27853 1 683 . 1 1 55 55 LEU HD12 H 1 0.830 0.020 . 2 . . . . . 55 LEU HD1 . 27853 1 684 . 1 1 55 55 LEU HD13 H 1 0.830 0.020 . 2 . . . . . 55 LEU HD1 . 27853 1 685 . 1 1 55 55 LEU HD21 H 1 0.627 0.020 . 2 . . . . . 55 LEU HD2 . 27853 1 686 . 1 1 55 55 LEU HD22 H 1 0.627 0.020 . 2 . . . . . 55 LEU HD2 . 27853 1 687 . 1 1 55 55 LEU HD23 H 1 0.627 0.020 . 2 . . . . . 55 LEU HD2 . 27853 1 688 . 1 1 55 55 LEU C C 13 177.901 0.3 . 1 . . . . . 55 LEU C . 27853 1 689 . 1 1 55 55 LEU CA C 13 58.379 0.3 . 1 . . . . . 55 LEU CA . 27853 1 690 . 1 1 55 55 LEU CB C 13 40.175 0.3 . 1 . . . . . 55 LEU CB . 27853 1 691 . 1 1 55 55 LEU CG C 13 27.168 0.3 . 1 . . . . . 55 LEU CG . 27853 1 692 . 1 1 55 55 LEU CD1 C 13 25.509 0.3 . 1 . . . . . 55 LEU CD1 . 27853 1 693 . 1 1 55 55 LEU CD2 C 13 24.654 0.3 . 1 . . . . . 55 LEU CD2 . 27853 1 694 . 1 1 55 55 LEU N N 15 116.311 0.3 . 1 . . . . . 55 LEU N . 27853 1 695 . 1 1 56 56 TYR H H 1 8.349 0.020 . 1 . . . . . 56 TYR H . 27853 1 696 . 1 1 56 56 TYR HA H 1 3.760 0.020 . 1 . . . . . 56 TYR HA . 27853 1 697 . 1 1 56 56 TYR HB2 H 1 2.907 0.020 . 2 . . . . . 56 TYR HB2 . 27853 1 698 . 1 1 56 56 TYR HB3 H 1 2.684 0.020 . 2 . . . . . 56 TYR HB3 . 27853 1 699 . 1 1 56 56 TYR HD1 H 1 7.122 0.020 . 1 . . . . . 56 TYR HD1 . 27853 1 700 . 1 1 56 56 TYR HD2 H 1 7.122 0.020 . 1 . . . . . 56 TYR HD2 . 27853 1 701 . 1 1 56 56 TYR HE1 H 1 7.003 0.020 . 3 . . . . . 56 TYR HE1 . 27853 1 702 . 1 1 56 56 TYR HE2 H 1 7.125 0.020 . 3 . . . . . 56 TYR HE2 . 27853 1 703 . 1 1 56 56 TYR C C 13 177.850 0.3 . 1 . . . . . 56 TYR C . 27853 1 704 . 1 1 56 56 TYR CA C 13 63.266 0.3 . 1 . . . . . 56 TYR CA . 27853 1 705 . 1 1 56 56 TYR CB C 13 38.459 0.3 . 1 . . . . . 56 TYR CB . 27853 1 706 . 1 1 56 56 TYR CD1 C 13 131.899 0.3 . 1 . . . . . 56 TYR CD1 . 27853 1 707 . 1 1 56 56 TYR CD2 C 13 131.899 0.3 . 1 . . . . . 56 TYR CD2 . 27853 1 708 . 1 1 56 56 TYR CE1 C 13 118.149 0.3 . 1 . . . . . 56 TYR CE1 . 27853 1 709 . 1 1 56 56 TYR CE2 C 13 118.149 0.3 . 1 . . . . . 56 TYR CE2 . 27853 1 710 . 1 1 56 56 TYR N N 15 117.334 0.3 . 1 . . . . . 56 TYR N . 27853 1 711 . 1 1 57 57 ARG H H 1 8.092 0.020 . 1 . . . . . 57 ARG H . 27853 1 712 . 1 1 57 57 ARG HA H 1 3.557 0.020 . 1 . . . . . 57 ARG HA . 27853 1 713 . 1 1 57 57 ARG HB2 H 1 1.762 0.020 . 2 . . . . . 57 ARG HB2 . 27853 1 714 . 1 1 57 57 ARG HB3 H 1 1.986 0.020 . 1 . . . . . 57 ARG HB3 . 27853 1 715 . 1 1 57 57 ARG HG2 H 1 1.002 0.020 . 2 . . . . . 57 ARG HG2 . 27853 1 716 . 1 1 57 57 ARG HG3 H 1 1.227 0.020 . 2 . . . . . 57 ARG HG3 . 27853 1 717 . 1 1 57 57 ARG HD2 H 1 3.152 0.020 . 2 . . . . . 57 ARG HD2 . 27853 1 718 . 1 1 57 57 ARG HD3 H 1 2.860 0.020 . 2 . . . . . 57 ARG HD3 . 27853 1 719 . 1 1 57 57 ARG C C 13 179.762 0.3 . 1 . . . . . 57 ARG C . 27853 1 720 . 1 1 57 57 ARG CA C 13 60.575 0.3 . 1 . . . . . 57 ARG CA . 27853 1 721 . 1 1 57 57 ARG CB C 13 29.805 0.3 . 1 . . . . . 57 ARG CB . 27853 1 722 . 1 1 57 57 ARG CG C 13 29.021 0.3 . 1 . . . . . 57 ARG CG . 27853 1 723 . 1 1 57 57 ARG CD C 13 43.231 0.3 . 1 . . . . . 57 ARG CD . 27853 1 724 . 1 1 57 57 ARG N N 15 119.900 0.3 . 1 . . . . . 57 ARG N . 27853 1 725 . 1 1 58 58 ALA H H 1 7.907 0.020 . 1 . . . . . 58 ALA H . 27853 1 726 . 1 1 58 58 ALA HA H 1 4.048 0.020 . 1 . . . . . 58 ALA HA . 27853 1 727 . 1 1 58 58 ALA HB1 H 1 1.400 0.020 . 1 . . . . . 58 ALA HB . 27853 1 728 . 1 1 58 58 ALA HB2 H 1 1.400 0.020 . 1 . . . . . 58 ALA HB . 27853 1 729 . 1 1 58 58 ALA HB3 H 1 1.400 0.020 . 1 . . . . . 58 ALA HB . 27853 1 730 . 1 1 58 58 ALA C C 13 178.676 0.3 . 1 . . . . . 58 ALA C . 27853 1 731 . 1 1 58 58 ALA CA C 13 55.200 0.3 . 1 . . . . . 58 ALA CA . 27853 1 732 . 1 1 58 58 ALA CB C 13 18.428 0.3 . 1 . . . . . 58 ALA CB . 27853 1 733 . 1 1 58 58 ALA N N 15 122.348 0.3 . 1 . . . . . 58 ALA N . 27853 1 734 . 1 1 59 59 LEU H H 1 8.517 0.020 . 1 . . . . . 59 LEU H . 27853 1 735 . 1 1 59 59 LEU HA H 1 3.757 0.020 . 1 . . . . . 59 LEU HA . 27853 1 736 . 1 1 59 59 LEU HB2 H 1 1.558 0.020 . 2 . . . . . 59 LEU HB2 . 27853 1 737 . 1 1 59 59 LEU HB3 H 1 1.002 0.020 . 2 . . . . . 59 LEU HB3 . 27853 1 738 . 1 1 59 59 LEU HG H 1 1.370 0.020 . 1 . . . . . 59 LEU HG . 27853 1 739 . 1 1 59 59 LEU HD11 H 1 0.280 0.020 . 2 . . . . . 59 LEU HD1 . 27853 1 740 . 1 1 59 59 LEU HD12 H 1 0.280 0.020 . 2 . . . . . 59 LEU HD1 . 27853 1 741 . 1 1 59 59 LEU HD13 H 1 0.280 0.020 . 2 . . . . . 59 LEU HD1 . 27853 1 742 . 1 1 59 59 LEU HD21 H 1 -0.079 0.020 . 2 . . . . . 59 LEU HD2 . 27853 1 743 . 1 1 59 59 LEU HD22 H 1 -0.079 0.020 . 2 . . . . . 59 LEU HD2 . 27853 1 744 . 1 1 59 59 LEU HD23 H 1 -0.079 0.020 . 2 . . . . . 59 LEU HD2 . 27853 1 745 . 1 1 59 59 LEU C C 13 179.253 0.3 . 1 . . . . . 59 LEU C . 27853 1 746 . 1 1 59 59 LEU CA C 13 57.368 0.3 . 1 . . . . . 59 LEU CA . 27853 1 747 . 1 1 59 59 LEU CB C 13 42.097 0.3 . 1 . . . . . 59 LEU CB . 27853 1 748 . 1 1 59 59 LEU CG C 13 25.708 0.3 . 1 . . . . . 59 LEU CG . 27853 1 749 . 1 1 59 59 LEU CD1 C 13 22.518 0.3 . 1 . . . . . 59 LEU CD1 . 27853 1 750 . 1 1 59 59 LEU CD2 C 13 24.075 0.3 . 1 . . . . . 59 LEU CD2 . 27853 1 751 . 1 1 59 59 LEU N N 15 117.911 0.3 . 1 . . . . . 59 LEU N . 27853 1 752 . 1 1 60 60 ALA H H 1 8.227 0.020 . 1 . . . . . 60 ALA H . 27853 1 753 . 1 1 60 60 ALA HA H 1 3.846 0.020 . 1 . . . . . 60 ALA HA . 27853 1 754 . 1 1 60 60 ALA HB1 H 1 1.632 0.020 . 1 . . . . . 60 ALA HB . 27853 1 755 . 1 1 60 60 ALA HB2 H 1 1.632 0.020 . 1 . . . . . 60 ALA HB . 27853 1 756 . 1 1 60 60 ALA HB3 H 1 1.632 0.020 . 1 . . . . . 60 ALA HB . 27853 1 757 . 1 1 60 60 ALA C C 13 179.054 0.3 . 1 . . . . . 60 ALA C . 27853 1 758 . 1 1 60 60 ALA CA C 13 55.482 0.3 . 1 . . . . . 60 ALA CA . 27853 1 759 . 1 1 60 60 ALA CB C 13 17.482 0.3 . 1 . . . . . 60 ALA CB . 27853 1 760 . 1 1 60 60 ALA N N 15 120.151 0.3 . 1 . . . . . 60 ALA N . 27853 1 761 . 1 1 61 61 GLU H H 1 7.682 0.020 . 1 . . . . . 61 GLU H . 27853 1 762 . 1 1 61 61 GLU HA H 1 4.086 0.020 . 1 . . . . . 61 GLU HA . 27853 1 763 . 1 1 61 61 GLU HB2 H 1 2.187 0.020 . 2 . . . . . 61 GLU HB2 . 27853 1 764 . 1 1 61 61 GLU HB3 H 1 2.047 0.020 . 2 . . . . . 61 GLU HB3 . 27853 1 765 . 1 1 61 61 GLU HG2 H 1 2.137 0.020 . 1 . . . . . 61 GLU HG2 . 27853 1 766 . 1 1 61 61 GLU HG3 H 1 2.137 0.020 . 1 . . . . . 61 GLU HG3 . 27853 1 767 . 1 1 61 61 GLU C C 13 179.606 0.3 . 1 . . . . . 61 GLU C . 27853 1 768 . 1 1 61 61 GLU CA C 13 59.267 0.3 . 1 . . . . . 61 GLU CA . 27853 1 769 . 1 1 61 61 GLU CB C 13 29.208 0.3 . 1 . . . . . 61 GLU CB . 27853 1 770 . 1 1 61 61 GLU CG C 13 36.109 0.3 . 1 . . . . . 61 GLU CG . 27853 1 771 . 1 1 61 61 GLU N N 15 118.995 0.3 . 1 . . . . . 61 GLU N . 27853 1 772 . 1 1 62 62 GLN H H 1 8.539 0.020 . 1 . . . . . 62 GLN H . 27853 1 773 . 1 1 62 62 GLN HA H 1 3.860 0.020 . 1 . . . . . 62 GLN HA . 27853 1 774 . 1 1 62 62 GLN HB2 H 1 2.303 0.020 . 2 . . . . . 62 GLN HB2 . 27853 1 775 . 1 1 62 62 GLN HB3 H 1 1.886 0.020 . 2 . . . . . 62 GLN HB3 . 27853 1 776 . 1 1 62 62 GLN HG2 H 1 2.136 0.020 . 1 . . . . . 62 GLN HG2 . 27853 1 777 . 1 1 62 62 GLN HG3 H 1 2.136 0.020 . 1 . . . . . 62 GLN HG3 . 27853 1 778 . 1 1 62 62 GLN C C 13 177.007 0.3 . 1 . . . . . 62 GLN C . 27853 1 779 . 1 1 62 62 GLN CA C 13 59.219 0.3 . 1 . . . . . 62 GLN CA . 27853 1 780 . 1 1 62 62 GLN CB C 13 29.666 0.3 . 1 . . . . . 62 GLN CB . 27853 1 781 . 1 1 62 62 GLN CG C 13 34.571 0.3 . 1 . . . . . 62 GLN CG . 27853 1 782 . 1 1 62 62 GLN N N 15 118.818 0.3 . 1 . . . . . 62 GLN N . 27853 1 783 . 1 1 63 63 LYS H H 1 7.214 0.020 . 1 . . . . . 63 LYS H . 27853 1 784 . 1 1 63 63 LYS HA H 1 4.557 0.020 . 1 . . . . . 63 LYS HA . 27853 1 785 . 1 1 63 63 LYS HB2 H 1 2.023 0.020 . 2 . . . . . 63 LYS HB2 . 27853 1 786 . 1 1 63 63 LYS HB3 H 1 1.597 0.020 . 2 . . . . . 63 LYS HB3 . 27853 1 787 . 1 1 63 63 LYS HG2 H 1 1.463 0.020 . 1 . . . . . 63 LYS HG2 . 27853 1 788 . 1 1 63 63 LYS HG3 H 1 1.463 0.020 . 1 . . . . . 63 LYS HG3 . 27853 1 789 . 1 1 63 63 LYS HD2 H 1 1.683 0.020 . 1 . . . . . 63 LYS HD2 . 27853 1 790 . 1 1 63 63 LYS HD3 H 1 1.683 0.020 . 1 . . . . . 63 LYS HD3 . 27853 1 791 . 1 1 63 63 LYS HE2 H 1 2.982 0.020 . 1 . . . . . 63 LYS HE2 . 27853 1 792 . 1 1 63 63 LYS HE3 H 1 2.982 0.020 . 1 . . . . . 63 LYS HE3 . 27853 1 793 . 1 1 63 63 LYS C C 13 176.048 0.3 . 1 . . . . . 63 LYS C . 27853 1 794 . 1 1 63 63 LYS CA C 13 53.598 0.3 . 1 . . . . . 63 LYS CA . 27853 1 795 . 1 1 63 63 LYS CB C 13 32.772 0.3 . 1 . . . . . 63 LYS CB . 27853 1 796 . 1 1 63 63 LYS CG C 13 24.870 0.3 . 1 . . . . . 63 LYS CG . 27853 1 797 . 1 1 63 63 LYS CD C 13 28.970 0.3 . 1 . . . . . 63 LYS CD . 27853 1 798 . 1 1 63 63 LYS CE C 13 42.150 0.3 . 1 . . . . . 63 LYS CE . 27853 1 799 . 1 1 63 63 LYS N N 15 111.798 0.3 . 1 . . . . . 63 LYS N . 27853 1 800 . 1 1 64 64 GLY H H 1 7.810 0.020 . 1 . . . . . 64 GLY H . 27853 1 801 . 1 1 64 64 GLY HA2 H 1 3.951 0.020 . 1 . . . . . 64 GLY HA2 . 27853 1 802 . 1 1 64 64 GLY HA3 H 1 3.951 0.020 . 1 . . . . . 64 GLY HA3 . 27853 1 803 . 1 1 64 64 GLY C C 13 174.608 0.3 . 1 . . . . . 64 GLY C . 27853 1 804 . 1 1 64 64 GLY CA C 13 47.175 0.3 . 1 . . . . . 64 GLY CA . 27853 1 805 . 1 1 64 64 GLY N N 15 109.956 0.3 . 1 . . . . . 64 GLY N . 27853 1 806 . 1 1 65 65 LEU H H 1 8.609 0.020 . 1 . . . . . 65 LEU H . 27853 1 807 . 1 1 65 65 LEU HA H 1 4.650 0.020 . 1 . . . . . 65 LEU HA . 27853 1 808 . 1 1 65 65 LEU HB2 H 1 1.532 0.020 . 2 . . . . . 65 LEU HB2 . 27853 1 809 . 1 1 65 65 LEU HB3 H 1 1.408 0.020 . 2 . . . . . 65 LEU HB3 . 27853 1 810 . 1 1 65 65 LEU HG H 1 1.611 0.020 . 1 . . . . . 65 LEU HG . 27853 1 811 . 1 1 65 65 LEU HD11 H 1 0.794 0.020 . 2 . . . . . 65 LEU HD1 . 27853 1 812 . 1 1 65 65 LEU HD12 H 1 0.794 0.020 . 2 . . . . . 65 LEU HD1 . 27853 1 813 . 1 1 65 65 LEU HD13 H 1 0.794 0.020 . 2 . . . . . 65 LEU HD1 . 27853 1 814 . 1 1 65 65 LEU HD21 H 1 0.794 0.020 . 2 . . . . . 65 LEU HD2 . 27853 1 815 . 1 1 65 65 LEU HD22 H 1 0.794 0.020 . 2 . . . . . 65 LEU HD2 . 27853 1 816 . 1 1 65 65 LEU HD23 H 1 0.794 0.020 . 2 . . . . . 65 LEU HD2 . 27853 1 817 . 1 1 65 65 LEU C C 13 175.633 0.3 . 1 . . . . . 65 LEU C . 27853 1 818 . 1 1 65 65 LEU CA C 13 53.100 0.3 . 1 . . . . . 65 LEU CA . 27853 1 819 . 1 1 65 65 LEU CB C 13 43.746 0.3 . 1 . . . . . 65 LEU CB . 27853 1 820 . 1 1 65 65 LEU CG C 13 27.166 0.3 . 1 . . . . . 65 LEU CG . 27853 1 821 . 1 1 65 65 LEU CD1 C 13 25.387 0.3 . 1 . . . . . 65 LEU CD1 . 27853 1 822 . 1 1 65 65 LEU CD2 C 13 23.843 0.3 . 1 . . . . . 65 LEU CD2 . 27853 1 823 . 1 1 65 65 LEU N N 15 119.095 0.3 . 1 . . . . . 65 LEU N . 27853 1 824 . 1 1 66 66 GLU H H 1 7.642 0.020 . 1 . . . . . 66 GLU H . 27853 1 825 . 1 1 66 66 GLU HA H 1 4.524 0.020 . 1 . . . . . 66 GLU HA . 27853 1 826 . 1 1 66 66 GLU HB2 H 1 1.980 0.020 . 2 . . . . . 66 GLU HB2 . 27853 1 827 . 1 1 66 66 GLU HB3 H 1 1.809 0.020 . 2 . . . . . 66 GLU HB3 . 27853 1 828 . 1 1 66 66 GLU HG2 H 1 2.224 0.020 . 1 . . . . . 66 GLU HG2 . 27853 1 829 . 1 1 66 66 GLU HG3 H 1 2.224 0.020 . 1 . . . . . 66 GLU HG3 . 27853 1 830 . 1 1 66 66 GLU C C 13 175.703 0.3 . 1 . . . . . 66 GLU C . 27853 1 831 . 1 1 66 66 GLU CA C 13 55.785 0.3 . 1 . . . . . 66 GLU CA . 27853 1 832 . 1 1 66 66 GLU CB C 13 30.819 0.3 . 1 . . . . . 66 GLU CB . 27853 1 833 . 1 1 66 66 GLU CG C 13 36.028 0.3 . 1 . . . . . 66 GLU CG . 27853 1 834 . 1 1 66 66 GLU N N 15 120.729 0.3 . 1 . . . . . 66 GLU N . 27853 1 835 . 1 1 67 67 PHE H H 1 8.945 0.020 . 1 . . . . . 67 PHE H . 27853 1 836 . 1 1 67 67 PHE HA H 1 5.062 0.020 . 1 . . . . . 67 PHE HA . 27853 1 837 . 1 1 67 67 PHE HB2 H 1 3.035 0.020 . 2 . . . . . 67 PHE HB2 . 27853 1 838 . 1 1 67 67 PHE HB3 H 1 2.968 0.020 . 2 . . . . . 67 PHE HB3 . 27853 1 839 . 1 1 67 67 PHE HD1 H 1 7.056 0.020 . 1 . . . . . 67 PHE HD1 . 27853 1 840 . 1 1 67 67 PHE HD2 H 1 7.056 0.020 . 1 . . . . . 67 PHE HD2 . 27853 1 841 . 1 1 67 67 PHE HE1 H 1 7.170 0.020 . 1 . . . . . 67 PHE HE1 . 27853 1 842 . 1 1 67 67 PHE HE2 H 1 7.170 0.020 . 1 . . . . . 67 PHE HE2 . 27853 1 843 . 1 1 67 67 PHE HZ H 1 7.075 0.020 . 1 . . . . . 67 PHE HZ . 27853 1 844 . 1 1 67 67 PHE C C 13 174.304 0.3 . 1 . . . . . 67 PHE C . 27853 1 845 . 1 1 67 67 PHE CA C 13 57.483 0.3 . 1 . . . . . 67 PHE CA . 27853 1 846 . 1 1 67 67 PHE CB C 13 40.435 0.3 . 1 . . . . . 67 PHE CB . 27853 1 847 . 1 1 67 67 PHE CD1 C 13 131.201 0.3 . 1 . . . . . 67 PHE CD1 . 27853 1 848 . 1 1 67 67 PHE CD2 C 13 131.201 0.3 . 1 . . . . . 67 PHE CD2 . 27853 1 849 . 1 1 67 67 PHE CE1 C 13 129.434 0.3 . 1 . . . . . 67 PHE CE1 . 27853 1 850 . 1 1 67 67 PHE CE2 C 13 129.434 0.3 . 1 . . . . . 67 PHE CE2 . 27853 1 851 . 1 1 67 67 PHE CZ C 13 130.653 0.3 . 1 . . . . . 67 PHE CZ . 27853 1 852 . 1 1 67 67 PHE N N 15 126.540 0.3 . 1 . . . . . 67 PHE N . 27853 1 853 . 1 1 68 68 LEU H H 1 8.439 0.020 . 1 . . . . . 68 LEU H . 27853 1 854 . 1 1 68 68 LEU HA H 1 4.395 0.020 . 1 . . . . . 68 LEU HA . 27853 1 855 . 1 1 68 68 LEU HB2 H 1 1.318 0.020 . 2 . . . . . 68 LEU HB2 . 27853 1 856 . 1 1 68 68 LEU HB3 H 1 1.236 0.020 . 2 . . . . . 68 LEU HB3 . 27853 1 857 . 1 1 68 68 LEU HG H 1 1.391 0.020 . 1 . . . . . 68 LEU HG . 27853 1 858 . 1 1 68 68 LEU HD11 H 1 0.584 0.020 . 2 . . . . . 68 LEU HD1 . 27853 1 859 . 1 1 68 68 LEU HD12 H 1 0.584 0.020 . 2 . . . . . 68 LEU HD1 . 27853 1 860 . 1 1 68 68 LEU HD13 H 1 0.584 0.020 . 2 . . . . . 68 LEU HD1 . 27853 1 861 . 1 1 68 68 LEU HD21 H 1 0.494 0.020 . 2 . . . . . 68 LEU HD2 . 27853 1 862 . 1 1 68 68 LEU HD22 H 1 0.494 0.020 . 2 . . . . . 68 LEU HD2 . 27853 1 863 . 1 1 68 68 LEU HD23 H 1 0.494 0.020 . 2 . . . . . 68 LEU HD2 . 27853 1 864 . 1 1 68 68 LEU C C 13 173.633 0.3 . 1 . . . . . 68 LEU C . 27853 1 865 . 1 1 68 68 LEU CA C 13 52.866 0.3 . 1 . . . . . 68 LEU CA . 27853 1 866 . 1 1 68 68 LEU CB C 13 43.003 0.3 . 1 . . . . . 68 LEU CB . 27853 1 867 . 1 1 68 68 LEU CG C 13 26.403 0.3 . 1 . . . . . 68 LEU CG . 27853 1 868 . 1 1 68 68 LEU CD1 C 13 24.158 0.3 . 1 . . . . . 68 LEU CD1 . 27853 1 869 . 1 1 68 68 LEU CD2 C 13 24.898 0.3 . 1 . . . . . 68 LEU CD2 . 27853 1 870 . 1 1 68 68 LEU N N 15 130.757 0.3 . 1 . . . . . 68 LEU N . 27853 1 871 . 1 1 69 69 GLU H H 1 8.253 0.020 . 1 . . . . . 69 GLU H . 27853 1 872 . 1 1 69 69 GLU HA H 1 3.760 0.020 . 1 . . . . . 69 GLU HA . 27853 1 873 . 1 1 69 69 GLU HB2 H 1 1.997 0.020 . 2 . . . . . 69 GLU HB2 . 27853 1 874 . 1 1 69 69 GLU HB3 H 1 2.247 0.020 . 1 . . . . . 69 GLU HB3 . 27853 1 875 . 1 1 69 69 GLU HG2 H 1 2.349 0.020 . 1 . . . . . 69 GLU HG2 . 27853 1 876 . 1 1 69 69 GLU HG3 H 1 2.349 0.020 . 1 . . . . . 69 GLU HG3 . 27853 1 877 . 1 1 69 69 GLU C C 13 176.230 0.3 . 1 . . . . . 69 GLU C . 27853 1 878 . 1 1 69 69 GLU CA C 13 57.881 0.3 . 1 . . . . . 69 GLU CA . 27853 1 879 . 1 1 69 69 GLU CB C 13 29.796 0.3 . 1 . . . . . 69 GLU CB . 27853 1 880 . 1 1 69 69 GLU CG C 13 36.170 0.3 . 1 . . . . . 69 GLU CG . 27853 1 881 . 1 1 69 69 GLU N N 15 122.364 0.3 . 1 . . . . . 69 GLU N . 27853 1 882 . 1 1 70 70 SER H H 1 7.403 0.020 . 1 . . . . . 70 SER H . 27853 1 883 . 1 1 70 70 SER HA H 1 4.626 0.020 . 1 . . . . . 70 SER HA . 27853 1 884 . 1 1 70 70 SER HB2 H 1 3.916 0.020 . 2 . . . . . 70 SER HB2 . 27853 1 885 . 1 1 70 70 SER HB3 H 1 3.583 0.020 . 2 . . . . . 70 SER HB3 . 27853 1 886 . 1 1 70 70 SER C C 13 174.440 0.3 . 1 . . . . . 70 SER C . 27853 1 887 . 1 1 70 70 SER CA C 13 55.951 0.3 . 1 . . . . . 70 SER CA . 27853 1 888 . 1 1 70 70 SER CB C 13 64.576 0.3 . 1 . . . . . 70 SER CB . 27853 1 889 . 1 1 70 70 SER N N 15 109.606 0.3 . 1 . . . . . 70 SER N . 27853 1 890 . 1 1 71 71 THR H H 1 8.732 0.020 . 1 . . . . . 71 THR H . 27853 1 891 . 1 1 71 71 THR HA H 1 4.327 0.020 . 1 . . . . . 71 THR HA . 27853 1 892 . 1 1 71 71 THR HB H 1 4.431 0.020 . 1 . . . . . 71 THR HB . 27853 1 893 . 1 1 71 71 THR HG21 H 1 0.892 0.020 . 1 . . . . . 71 THR HG2 . 27853 1 894 . 1 1 71 71 THR HG22 H 1 0.892 0.020 . 1 . . . . . 71 THR HG2 . 27853 1 895 . 1 1 71 71 THR HG23 H 1 0.892 0.020 . 1 . . . . . 71 THR HG2 . 27853 1 896 . 1 1 71 71 THR C C 13 175.240 0.3 . 1 . . . . . 71 THR C . 27853 1 897 . 1 1 71 71 THR CA C 13 60.649 0.3 . 1 . . . . . 71 THR CA . 27853 1 898 . 1 1 71 71 THR CB C 13 68.963 0.3 . 1 . . . . . 71 THR CB . 27853 1 899 . 1 1 71 71 THR CG2 C 13 21.439 0.3 . 1 . . . . . 71 THR CG2 . 27853 1 900 . 1 1 71 71 THR N N 15 112.563 0.3 . 1 . . . . . 71 THR N . 27853 1 901 . 1 1 72 72 GLU H H 1 8.198 0.020 . 1 . . . . . 72 GLU H . 27853 1 902 . 1 1 72 72 GLU HA H 1 3.981 0.020 . 1 . . . . . 72 GLU HA . 27853 1 903 . 1 1 72 72 GLU HB2 H 1 1.922 0.020 . 2 . . . . . 72 GLU HB2 . 27853 1 904 . 1 1 72 72 GLU HB3 H 1 1.922 0.020 . 1 . . . . . 72 GLU HB3 . 27853 1 905 . 1 1 72 72 GLU HG2 H 1 2.213 0.020 . 1 . . . . . 72 GLU HG2 . 27853 1 906 . 1 1 72 72 GLU HG3 H 1 2.213 0.020 . 1 . . . . . 72 GLU HG3 . 27853 1 907 . 1 1 72 72 GLU C C 13 177.257 0.3 . 1 . . . . . 72 GLU C . 27853 1 908 . 1 1 72 72 GLU CA C 13 58.817 0.3 . 1 . . . . . 72 GLU CA . 27853 1 909 . 1 1 72 72 GLU CB C 13 29.438 0.3 . 1 . . . . . 72 GLU CB . 27853 1 910 . 1 1 72 72 GLU CG C 13 36.151 0.3 . 1 . . . . . 72 GLU CG . 27853 1 911 . 1 1 72 72 GLU N N 15 124.205 0.3 . 1 . . . . . 72 GLU N . 27853 1 912 . 1 1 73 73 GLY H H 1 8.616 0.020 . 1 . . . . . 73 GLY H . 27853 1 913 . 1 1 73 73 GLY HA2 H 1 3.816 0.020 . 1 . . . . . 73 GLY HA2 . 27853 1 914 . 1 1 73 73 GLY HA3 H 1 3.816 0.020 . 1 . . . . . 73 GLY HA3 . 27853 1 915 . 1 1 73 73 GLY C C 13 174.060 0.3 . 1 . . . . . 73 GLY C . 27853 1 916 . 1 1 73 73 GLY CA C 13 44.799 0.3 . 1 . . . . . 73 GLY CA . 27853 1 917 . 1 1 73 73 GLY N N 15 109.052 0.3 . 1 . . . . . 73 GLY N . 27853 1 918 . 1 1 74 74 ILE H H 1 7.152 0.020 . 1 . . . . . 74 ILE H . 27853 1 919 . 1 1 74 74 ILE HA H 1 3.839 0.020 . 1 . . . . . 74 ILE HA . 27853 1 920 . 1 1 74 74 ILE HB H 1 1.660 0.020 . 1 . . . . . 74 ILE HB . 27853 1 921 . 1 1 74 74 ILE HG12 H 1 1.299 0.020 . 2 . . . . . 74 ILE HG12 . 27853 1 922 . 1 1 74 74 ILE HG13 H 1 0.871 0.020 . 2 . . . . . 74 ILE HG13 . 27853 1 923 . 1 1 74 74 ILE HG21 H 1 0.551 0.020 . 1 . . . . . 74 ILE HG2 . 27853 1 924 . 1 1 74 74 ILE HG22 H 1 0.551 0.020 . 1 . . . . . 74 ILE HG2 . 27853 1 925 . 1 1 74 74 ILE HG23 H 1 0.551 0.020 . 1 . . . . . 74 ILE HG2 . 27853 1 926 . 1 1 74 74 ILE HD11 H 1 0.625 0.020 . 1 . . . . . 74 ILE HD1 . 27853 1 927 . 1 1 74 74 ILE HD12 H 1 0.625 0.020 . 1 . . . . . 74 ILE HD1 . 27853 1 928 . 1 1 74 74 ILE HD13 H 1 0.625 0.020 . 1 . . . . . 74 ILE HD1 . 27853 1 929 . 1 1 74 74 ILE C C 13 175.400 0.3 . 1 . . . . . 74 ILE C . 27853 1 930 . 1 1 74 74 ILE CA C 13 61.301 0.3 . 1 . . . . . 74 ILE CA . 27853 1 931 . 1 1 74 74 ILE CB C 13 38.034 0.3 . 1 . . . . . 74 ILE CB . 27853 1 932 . 1 1 74 74 ILE CG1 C 13 26.695 0.3 . 1 . . . . . 74 ILE CG1 . 27853 1 933 . 1 1 74 74 ILE CG2 C 13 16.917 0.3 . 1 . . . . . 74 ILE CG2 . 27853 1 934 . 1 1 74 74 ILE CD1 C 13 13.382 0.3 . 1 . . . . . 74 ILE CD1 . 27853 1 935 . 1 1 74 74 ILE N N 15 119.787 0.3 . 1 . . . . . 74 ILE N . 27853 1 936 . 1 1 75 75 VAL H H 1 8.650 0.020 . 1 . . . . . 75 VAL H . 27853 1 937 . 1 1 75 75 VAL HA H 1 4.327 0.020 . 1 . . . . . 75 VAL HA . 27853 1 938 . 1 1 75 75 VAL HB H 1 2.018 0.020 . 1 . . . . . 75 VAL HB . 27853 1 939 . 1 1 75 75 VAL HG11 H 1 0.831 0.020 . 2 . . . . . 75 VAL HG1 . 27853 1 940 . 1 1 75 75 VAL HG12 H 1 0.831 0.020 . 2 . . . . . 75 VAL HG1 . 27853 1 941 . 1 1 75 75 VAL HG13 H 1 0.831 0.020 . 2 . . . . . 75 VAL HG1 . 27853 1 942 . 1 1 75 75 VAL HG21 H 1 0.857 0.020 . 2 . . . . . 75 VAL HG2 . 27853 1 943 . 1 1 75 75 VAL HG22 H 1 0.857 0.020 . 2 . . . . . 75 VAL HG2 . 27853 1 944 . 1 1 75 75 VAL HG23 H 1 0.857 0.020 . 2 . . . . . 75 VAL HG2 . 27853 1 945 . 1 1 75 75 VAL C C 13 174.053 0.3 . 1 . . . . . 75 VAL C . 27853 1 946 . 1 1 75 75 VAL CA C 13 59.510 0.3 . 1 . . . . . 75 VAL CA . 27853 1 947 . 1 1 75 75 VAL CB C 13 31.993 0.3 . 1 . . . . . 75 VAL CB . 27853 1 948 . 1 1 75 75 VAL CG1 C 13 20.659 0.3 . 1 . . . . . 75 VAL CG1 . 27853 1 949 . 1 1 75 75 VAL CG2 C 13 20.378 0.3 . 1 . . . . . 75 VAL CG2 . 27853 1 950 . 1 1 75 75 VAL N N 15 131.545 0.3 . 1 . . . . . 75 VAL N . 27853 1 951 . 1 1 76 76 PRO HA H 1 4.283 0.020 . 1 . . . . . 76 PRO HA . 27853 1 952 . 1 1 76 76 PRO HB2 H 1 2.015 0.020 . 2 . . . . . 76 PRO HB2 . 27853 1 953 . 1 1 76 76 PRO HB3 H 1 1.894 0.020 . 2 . . . . . 76 PRO HB3 . 27853 1 954 . 1 1 76 76 PRO HG2 H 1 1.425 0.020 . 1 . . . . . 76 PRO HG2 . 27853 1 955 . 1 1 76 76 PRO HG3 H 1 1.425 0.020 . 1 . . . . . 76 PRO HG3 . 27853 1 956 . 1 1 76 76 PRO HD2 H 1 3.724 0.020 . 2 . . . . . 76 PRO HD2 . 27853 1 957 . 1 1 76 76 PRO HD3 H 1 3.650 0.020 . 2 . . . . . 76 PRO HD3 . 27853 1 958 . 1 1 76 76 PRO C C 13 175.143 0.3 . 1 . . . . . 76 PRO C . 27853 1 959 . 1 1 76 76 PRO CA C 13 62.605 0.3 . 1 . . . . . 76 PRO CA . 27853 1 960 . 1 1 76 76 PRO CB C 13 31.485 0.3 . 1 . . . . . 76 PRO CB . 27853 1 961 . 1 1 76 76 PRO CG C 13 26.951 0.3 . 1 . . . . . 76 PRO CG . 27853 1 962 . 1 1 76 76 PRO CD C 13 50.581 0.3 . 1 . . . . . 76 PRO CD . 27853 1 963 . 1 1 77 77 ASP H H 1 8.049 0.020 . 1 . . . . . 77 ASP H . 27853 1 964 . 1 1 77 77 ASP HA H 1 4.947 0.020 . 1 . . . . . 77 ASP HA . 27853 1 965 . 1 1 77 77 ASP HB2 H 1 2.790 0.020 . 2 . . . . . 77 ASP HB2 . 27853 1 966 . 1 1 77 77 ASP HB3 H 1 2.487 0.020 . 2 . . . . . 77 ASP HB3 . 27853 1 967 . 1 1 77 77 ASP C C 13 176.485 0.3 . 1 . . . . . 77 ASP C . 27853 1 968 . 1 1 77 77 ASP CA C 13 50.589 0.3 . 1 . . . . . 77 ASP CA . 27853 1 969 . 1 1 77 77 ASP CB C 13 43.429 0.3 . 1 . . . . . 77 ASP CB . 27853 1 970 . 1 1 77 77 ASP N N 15 125.150 0.3 . 1 . . . . . 77 ASP N . 27853 1 971 . 1 1 78 78 PRO HA H 1 4.391 0.020 . 1 . . . . . 78 PRO HA . 27853 1 972 . 1 1 78 78 PRO HB2 H 1 2.385 0.020 . 2 . . . . . 78 PRO HB2 . 27853 1 973 . 1 1 78 78 PRO HB3 H 1 1.991 0.020 . 2 . . . . . 78 PRO HB3 . 27853 1 974 . 1 1 78 78 PRO HG2 H 1 2.032 0.020 . 2 . . . . . 78 PRO HG2 . 27853 1 975 . 1 1 78 78 PRO HG3 H 1 2.107 0.020 . 2 . . . . . 78 PRO HG3 . 27853 1 976 . 1 1 78 78 PRO HD2 H 1 3.999 0.020 . 2 . . . . . 78 PRO HD2 . 27853 1 977 . 1 1 78 78 PRO HD3 H 1 4.200 0.020 . 2 . . . . . 78 PRO HD3 . 27853 1 978 . 1 1 78 78 PRO C C 13 178.950 0.3 . 1 . . . . . 78 PRO C . 27853 1 979 . 1 1 78 78 PRO CA C 13 64.728 0.3 . 1 . . . . . 78 PRO CA . 27853 1 980 . 1 1 78 78 PRO CB C 13 32.181 0.3 . 1 . . . . . 78 PRO CB . 27853 1 981 . 1 1 78 78 PRO CG C 13 27.370 0.3 . 1 . . . . . 78 PRO CG . 27853 1 982 . 1 1 78 78 PRO CD C 13 51.439 0.3 . 1 . . . . . 78 PRO CD . 27853 1 983 . 1 1 79 79 SER H H 1 8.578 0.020 . 1 . . . . . 79 SER H . 27853 1 984 . 1 1 79 79 SER HA H 1 4.261 0.020 . 1 . . . . . 79 SER HA . 27853 1 985 . 1 1 79 79 SER HB2 H 1 4.060 0.020 . 2 . . . . . 79 SER HB2 . 27853 1 986 . 1 1 79 79 SER HB3 H 1 3.964 0.020 . 2 . . . . . 79 SER HB3 . 27853 1 987 . 1 1 79 79 SER C C 13 175.859 0.3 . 1 . . . . . 79 SER C . 27853 1 988 . 1 1 79 79 SER CA C 13 61.384 0.3 . 1 . . . . . 79 SER CA . 27853 1 989 . 1 1 79 79 SER CB C 13 62.816 0.3 . 1 . . . . . 79 SER CB . 27853 1 990 . 1 1 79 79 SER N N 15 113.200 0.3 . 1 . . . . . 79 SER N . 27853 1 991 . 1 1 80 80 ALA H H 1 7.620 0.020 . 1 . . . . . 80 ALA H . 27853 1 992 . 1 1 80 80 ALA HA H 1 4.177 0.020 . 1 . . . . . 80 ALA HA . 27853 1 993 . 1 1 80 80 ALA HB1 H 1 0.738 0.020 . 1 . . . . . 80 ALA HB . 27853 1 994 . 1 1 80 80 ALA HB2 H 1 0.738 0.020 . 1 . . . . . 80 ALA HB . 27853 1 995 . 1 1 80 80 ALA HB3 H 1 0.738 0.020 . 1 . . . . . 80 ALA HB . 27853 1 996 . 1 1 80 80 ALA C C 13 178.274 0.3 . 1 . . . . . 80 ALA C . 27853 1 997 . 1 1 80 80 ALA CA C 13 53.088 0.3 . 1 . . . . . 80 ALA CA . 27853 1 998 . 1 1 80 80 ALA CB C 13 17.707 0.3 . 1 . . . . . 80 ALA CB . 27853 1 999 . 1 1 80 80 ALA N N 15 123.124 0.3 . 1 . . . . . 80 ALA N . 27853 1 1000 . 1 1 81 81 ALA H H 1 7.151 0.020 . 1 . . . . . 81 ALA H . 27853 1 1001 . 1 1 81 81 ALA HA H 1 3.972 0.020 . 1 . . . . . 81 ALA HA . 27853 1 1002 . 1 1 81 81 ALA HB1 H 1 1.107 0.020 . 1 . . . . . 81 ALA HB . 27853 1 1003 . 1 1 81 81 ALA HB2 H 1 1.107 0.020 . 1 . . . . . 81 ALA HB . 27853 1 1004 . 1 1 81 81 ALA HB3 H 1 1.107 0.020 . 1 . . . . . 81 ALA HB . 27853 1 1005 . 1 1 81 81 ALA C C 13 178.815 0.3 . 1 . . . . . 81 ALA C . 27853 1 1006 . 1 1 81 81 ALA CA C 13 54.730 0.3 . 1 . . . . . 81 ALA CA . 27853 1 1007 . 1 1 81 81 ALA CB C 13 17.259 0.3 . 1 . . . . . 81 ALA CB . 27853 1 1008 . 1 1 81 81 ALA N N 15 120.033 0.3 . 1 . . . . . 81 ALA N . 27853 1 1009 . 1 1 82 82 LEU H H 1 6.951 0.020 . 1 . . . . . 82 LEU H . 27853 1 1010 . 1 1 82 82 LEU HA H 1 4.310 0.020 . 1 . . . . . 82 LEU HA . 27853 1 1011 . 1 1 82 82 LEU HB2 H 1 1.790 0.020 . 2 . . . . . 82 LEU HB2 . 27853 1 1012 . 1 1 82 82 LEU HB3 H 1 1.658 0.020 . 2 . . . . . 82 LEU HB3 . 27853 1 1013 . 1 1 82 82 LEU HG H 1 1.896 0.020 . 1 . . . . . 82 LEU HG . 27853 1 1014 . 1 1 82 82 LEU HD11 H 1 0.947 0.020 . 2 . . . . . 82 LEU HD1 . 27853 1 1015 . 1 1 82 82 LEU HD12 H 1 0.947 0.020 . 2 . . . . . 82 LEU HD1 . 27853 1 1016 . 1 1 82 82 LEU HD13 H 1 0.947 0.020 . 2 . . . . . 82 LEU HD1 . 27853 1 1017 . 1 1 82 82 LEU HD21 H 1 0.948 0.020 . 2 . . . . . 82 LEU HD2 . 27853 1 1018 . 1 1 82 82 LEU HD22 H 1 0.948 0.020 . 2 . . . . . 82 LEU HD2 . 27853 1 1019 . 1 1 82 82 LEU HD23 H 1 0.948 0.020 . 2 . . . . . 82 LEU HD2 . 27853 1 1020 . 1 1 82 82 LEU C C 13 177.911 0.3 . 1 . . . . . 82 LEU C . 27853 1 1021 . 1 1 82 82 LEU CA C 13 56.032 0.3 . 1 . . . . . 82 LEU CA . 27853 1 1022 . 1 1 82 82 LEU CB C 13 42.085 0.3 . 1 . . . . . 82 LEU CB . 27853 1 1023 . 1 1 82 82 LEU CG C 13 26.645 0.3 . 1 . . . . . 82 LEU CG . 27853 1 1024 . 1 1 82 82 LEU CD1 C 13 23.601 0.3 . 1 . . . . . 82 LEU CD1 . 27853 1 1025 . 1 1 82 82 LEU CD2 C 13 24.932 0.3 . 1 . . . . . 82 LEU CD2 . 27853 1 1026 . 1 1 82 82 LEU N N 15 112.466 0.3 . 1 . . . . . 82 LEU N . 27853 1 1027 . 1 1 83 83 LEU H H 1 7.633 0.020 . 1 . . . . . 83 LEU H . 27853 1 1028 . 1 1 83 83 LEU HA H 1 4.126 0.020 . 1 . . . . . 83 LEU HA . 27853 1 1029 . 1 1 83 83 LEU HB2 H 1 1.840 0.020 . 2 . . . . . 83 LEU HB2 . 27853 1 1030 . 1 1 83 83 LEU HB3 H 1 1.541 0.020 . 2 . . . . . 83 LEU HB3 . 27853 1 1031 . 1 1 83 83 LEU HG H 1 1.024 0.020 . 1 . . . . . 83 LEU HG . 27853 1 1032 . 1 1 83 83 LEU HD11 H 1 0.975 0.020 . 1 . . . . . 83 LEU HD1 . 27853 1 1033 . 1 1 83 83 LEU HD12 H 1 0.975 0.020 . 1 . . . . . 83 LEU HD1 . 27853 1 1034 . 1 1 83 83 LEU HD13 H 1 0.975 0.020 . 1 . . . . . 83 LEU HD1 . 27853 1 1035 . 1 1 83 83 LEU HD21 H 1 0.975 0.020 . 1 . . . . . 83 LEU HD2 . 27853 1 1036 . 1 1 83 83 LEU HD22 H 1 0.975 0.020 . 1 . . . . . 83 LEU HD2 . 27853 1 1037 . 1 1 83 83 LEU HD23 H 1 0.975 0.020 . 1 . . . . . 83 LEU HD2 . 27853 1 1038 . 1 1 83 83 LEU C C 13 176.808 0.3 . 1 . . . . . 83 LEU C . 27853 1 1039 . 1 1 83 83 LEU CA C 13 56.570 0.3 . 1 . . . . . 83 LEU CA . 27853 1 1040 . 1 1 83 83 LEU CB C 13 42.123 0.3 . 1 . . . . . 83 LEU CB . 27853 1 1041 . 1 1 83 83 LEU CG C 13 26.750 0.3 . 1 . . . . . 83 LEU CG . 27853 1 1042 . 1 1 83 83 LEU CD2 C 13 22.540 0.3 . 1 . . . . . 83 LEU CD2 . 27853 1 1043 . 1 1 83 83 LEU N N 15 116.922 0.3 . 1 . . . . . 83 LEU N . 27853 1 1044 . 1 1 84 84 LEU H H 1 7.455 0.020 . 1 . . . . . 84 LEU H . 27853 1 1045 . 1 1 84 84 LEU HA H 1 4.881 0.020 . 1 . . . . . 84 LEU HA . 27853 1 1046 . 1 1 84 84 LEU HB2 H 1 1.658 0.020 . 2 . . . . . 84 LEU HB2 . 27853 1 1047 . 1 1 84 84 LEU HB3 H 1 1.538 0.020 . 2 . . . . . 84 LEU HB3 . 27853 1 1048 . 1 1 84 84 LEU HG H 1 1.600 0.020 . 1 . . . . . 84 LEU HG . 27853 1 1049 . 1 1 84 84 LEU HD11 H 1 0.947 0.020 . 2 . . . . . 84 LEU HD1 . 27853 1 1050 . 1 1 84 84 LEU HD12 H 1 0.947 0.020 . 2 . . . . . 84 LEU HD1 . 27853 1 1051 . 1 1 84 84 LEU HD13 H 1 0.947 0.020 . 2 . . . . . 84 LEU HD1 . 27853 1 1052 . 1 1 84 84 LEU HD21 H 1 0.908 0.020 . 2 . . . . . 84 LEU HD2 . 27853 1 1053 . 1 1 84 84 LEU HD22 H 1 0.908 0.020 . 2 . . . . . 84 LEU HD2 . 27853 1 1054 . 1 1 84 84 LEU HD23 H 1 0.908 0.020 . 2 . . . . . 84 LEU HD2 . 27853 1 1055 . 1 1 84 84 LEU C C 13 175.953 0.3 . 1 . . . . . 84 LEU C . 27853 1 1056 . 1 1 84 84 LEU CA C 13 53.150 0.3 . 1 . . . . . 84 LEU CA . 27853 1 1057 . 1 1 84 84 LEU CB C 13 45.948 0.3 . 1 . . . . . 84 LEU CB . 27853 1 1058 . 1 1 84 84 LEU CG C 13 27.166 0.3 . 1 . . . . . 84 LEU CG . 27853 1 1059 . 1 1 84 84 LEU CD1 C 13 25.482 0.3 . 1 . . . . . 84 LEU CD1 . 27853 1 1060 . 1 1 84 84 LEU CD2 C 13 25.993 0.3 . 1 . . . . . 84 LEU CD2 . 27853 1 1061 . 1 1 84 84 LEU N N 15 116.542 0.3 . 1 . . . . . 84 LEU N . 27853 1 1062 . 1 1 85 85 LEU H H 1 9.256 0.020 . 1 . . . . . 85 LEU H . 27853 1 1063 . 1 1 85 85 LEU HA H 1 4.375 0.020 . 1 . . . . . 85 LEU HA . 27853 1 1064 . 1 1 85 85 LEU HB2 H 1 1.761 0.020 . 2 . . . . . 85 LEU HB2 . 27853 1 1065 . 1 1 85 85 LEU HB3 H 1 1.713 0.020 . 2 . . . . . 85 LEU HB3 . 27853 1 1066 . 1 1 85 85 LEU HG H 1 1.955 0.020 . 1 . . . . . 85 LEU HG . 27853 1 1067 . 1 1 85 85 LEU HD11 H 1 1.025 0.020 . 2 . . . . . 85 LEU HD1 . 27853 1 1068 . 1 1 85 85 LEU HD12 H 1 1.025 0.020 . 2 . . . . . 85 LEU HD1 . 27853 1 1069 . 1 1 85 85 LEU HD13 H 1 1.025 0.020 . 2 . . . . . 85 LEU HD1 . 27853 1 1070 . 1 1 85 85 LEU HD21 H 1 1.013 0.020 . 2 . . . . . 85 LEU HD2 . 27853 1 1071 . 1 1 85 85 LEU HD22 H 1 1.013 0.020 . 2 . . . . . 85 LEU HD2 . 27853 1 1072 . 1 1 85 85 LEU HD23 H 1 1.013 0.020 . 2 . . . . . 85 LEU HD2 . 27853 1 1073 . 1 1 85 85 LEU C C 13 179.030 0.3 . 1 . . . . . 85 LEU C . 27853 1 1074 . 1 1 85 85 LEU CA C 13 55.003 0.3 . 1 . . . . . 85 LEU CA . 27853 1 1075 . 1 1 85 85 LEU CB C 13 42.545 0.3 . 1 . . . . . 85 LEU CB . 27853 1 1076 . 1 1 85 85 LEU CG C 13 27.099 0.3 . 1 . . . . . 85 LEU CG . 27853 1 1077 . 1 1 85 85 LEU CD1 C 13 22.960 0.3 . 1 . . . . . 85 LEU CD1 . 27853 1 1078 . 1 1 85 85 LEU CD2 C 13 25.237 0.3 . 1 . . . . . 85 LEU CD2 . 27853 1 1079 . 1 1 85 85 LEU N N 15 123.483 0.3 . 1 . . . . . 85 LEU N . 27853 1 1080 . 1 1 86 86 ARG H H 1 8.924 0.020 . 1 . . . . . 86 ARG H . 27853 1 1081 . 1 1 86 86 ARG HA H 1 3.135 0.020 . 1 . . . . . 86 ARG HA . 27853 1 1082 . 1 1 86 86 ARG HB2 H 1 1.856 0.020 . 2 . . . . . 86 ARG HB2 . 27853 1 1083 . 1 1 86 86 ARG HB3 H 1 1.757 0.020 . 2 . . . . . 86 ARG HB3 . 27853 1 1084 . 1 1 86 86 ARG HG2 H 1 1.700 0.020 . 1 . . . . . 86 ARG HG2 . 27853 1 1085 . 1 1 86 86 ARG HG3 H 1 1.700 0.020 . 1 . . . . . 86 ARG HG3 . 27853 1 1086 . 1 1 86 86 ARG HD2 H 1 3.240 0.020 . 1 . . . . . 86 ARG HD2 . 27853 1 1087 . 1 1 86 86 ARG HD3 H 1 3.240 0.020 . 1 . . . . . 86 ARG HD3 . 27853 1 1088 . 1 1 86 86 ARG C C 13 177.290 0.3 . 1 . . . . . 86 ARG C . 27853 1 1089 . 1 1 86 86 ARG CA C 13 59.789 0.3 . 1 . . . . . 86 ARG CA . 27853 1 1090 . 1 1 86 86 ARG CB C 13 29.849 0.3 . 1 . . . . . 86 ARG CB . 27853 1 1091 . 1 1 86 86 ARG CG C 13 27.432 0.3 . 1 . . . . . 86 ARG CG . 27853 1 1092 . 1 1 86 86 ARG CD C 13 43.015 0.3 . 1 . . . . . 86 ARG CD . 27853 1 1093 . 1 1 86 86 ARG N N 15 124.402 0.3 . 1 . . . . . 86 ARG N . 27853 1 1094 . 1 1 87 87 SER H H 1 8.084 0.020 . 1 . . . . . 87 SER H . 27853 1 1095 . 1 1 87 87 SER HA H 1 3.878 0.020 . 1 . . . . . 87 SER HA . 27853 1 1096 . 1 1 87 87 SER HB2 H 1 4.066 0.020 . 2 . . . . . 87 SER HB2 . 27853 1 1097 . 1 1 87 87 SER HB3 H 1 4.302 0.020 . 1 . . . . . 87 SER HB3 . 27853 1 1098 . 1 1 87 87 SER C C 13 177.356 0.3 . 1 . . . . . 87 SER C . 27853 1 1099 . 1 1 87 87 SER CA C 13 61.856 0.3 . 1 . . . . . 87 SER CA . 27853 1 1100 . 1 1 87 87 SER CB C 13 60.995 0.3 . 1 . . . . . 87 SER CB . 27853 1 1101 . 1 1 87 87 SER N N 15 108.926 0.3 . 1 . . . . . 87 SER N . 27853 1 1102 . 1 1 88 88 ASP H H 1 7.046 0.020 . 1 . . . . . 88 ASP H . 27853 1 1103 . 1 1 88 88 ASP HA H 1 4.711 0.020 . 1 . . . . . 88 ASP HA . 27853 1 1104 . 1 1 88 88 ASP HB2 H 1 2.899 0.020 . 2 . . . . . 88 ASP HB2 . 27853 1 1105 . 1 1 88 88 ASP HB3 H 1 2.606 0.020 . 2 . . . . . 88 ASP HB3 . 27853 1 1106 . 1 1 88 88 ASP C C 13 177.074 0.3 . 1 . . . . . 88 ASP C . 27853 1 1107 . 1 1 88 88 ASP CA C 13 57.328 0.3 . 1 . . . . . 88 ASP CA . 27853 1 1108 . 1 1 88 88 ASP CB C 13 41.311 0.3 . 1 . . . . . 88 ASP CB . 27853 1 1109 . 1 1 88 88 ASP N N 15 123.925 0.3 . 1 . . . . . 88 ASP N . 27853 1 1110 . 1 1 89 89 ALA H H 1 8.524 0.020 . 1 . . . . . 89 ALA H . 27853 1 1111 . 1 1 89 89 ALA HA H 1 4.475 0.020 . 1 . . . . . 89 ALA HA . 27853 1 1112 . 1 1 89 89 ALA HB1 H 1 1.638 0.020 . 1 . . . . . 89 ALA HB . 27853 1 1113 . 1 1 89 89 ALA HB2 H 1 1.638 0.020 . 1 . . . . . 89 ALA HB . 27853 1 1114 . 1 1 89 89 ALA HB3 H 1 1.638 0.020 . 1 . . . . . 89 ALA HB . 27853 1 1115 . 1 1 89 89 ALA C C 13 180.459 0.3 . 1 . . . . . 89 ALA C . 27853 1 1116 . 1 1 89 89 ALA CA C 13 56.102 0.3 . 1 . . . . . 89 ALA CA . 27853 1 1117 . 1 1 89 89 ALA CB C 13 18.789 0.3 . 1 . . . . . 89 ALA CB . 27853 1 1118 . 1 1 89 89 ALA N N 15 125.222 0.3 . 1 . . . . . 89 ALA N . 27853 1 1119 . 1 1 90 90 LEU H H 1 7.989 0.020 . 1 . . . . . 90 LEU H . 27853 1 1120 . 1 1 90 90 LEU HA H 1 3.930 0.020 . 1 . . . . . 90 LEU HA . 27853 1 1121 . 1 1 90 90 LEU HB2 H 1 1.621 0.020 . 2 . . . . . 90 LEU HB2 . 27853 1 1122 . 1 1 90 90 LEU HB3 H 1 1.851 0.020 . 1 . . . . . 90 LEU HB3 . 27853 1 1123 . 1 1 90 90 LEU HG H 1 1.437 0.020 . 1 . . . . . 90 LEU HG . 27853 1 1124 . 1 1 90 90 LEU HD11 H 1 0.720 0.020 . 2 . . . . . 90 LEU HD1 . 27853 1 1125 . 1 1 90 90 LEU HD12 H 1 0.720 0.020 . 2 . . . . . 90 LEU HD1 . 27853 1 1126 . 1 1 90 90 LEU HD13 H 1 0.720 0.020 . 2 . . . . . 90 LEU HD1 . 27853 1 1127 . 1 1 90 90 LEU HD21 H 1 0.682 0.020 . 2 . . . . . 90 LEU HD2 . 27853 1 1128 . 1 1 90 90 LEU HD22 H 1 0.682 0.020 . 2 . . . . . 90 LEU HD2 . 27853 1 1129 . 1 1 90 90 LEU HD23 H 1 0.682 0.020 . 2 . . . . . 90 LEU HD2 . 27853 1 1130 . 1 1 90 90 LEU C C 13 179.331 0.3 . 1 . . . . . 90 LEU C . 27853 1 1131 . 1 1 90 90 LEU CA C 13 57.379 0.3 . 1 . . . . . 90 LEU CA . 27853 1 1132 . 1 1 90 90 LEU CB C 13 42.448 0.3 . 1 . . . . . 90 LEU CB . 27853 1 1133 . 1 1 90 90 LEU CG C 13 26.775 0.3 . 1 . . . . . 90 LEU CG . 27853 1 1134 . 1 1 90 90 LEU CD1 C 13 23.668 0.3 . 1 . . . . . 90 LEU CD1 . 27853 1 1135 . 1 1 90 90 LEU CD2 C 13 24.560 0.3 . 1 . . . . . 90 LEU CD2 . 27853 1 1136 . 1 1 90 90 LEU N N 15 114.484 0.3 . 1 . . . . . 90 LEU N . 27853 1 1137 . 1 1 91 91 ARG H H 1 7.687 0.020 . 1 . . . . . 91 ARG H . 27853 1 1138 . 1 1 91 91 ARG HA H 1 3.778 0.020 . 1 . . . . . 91 ARG HA . 27853 1 1139 . 1 1 91 91 ARG HB2 H 1 1.769 0.020 . 2 . . . . . 91 ARG HB2 . 27853 1 1140 . 1 1 91 91 ARG HB3 H 1 1.439 0.020 . 2 . . . . . 91 ARG HB3 . 27853 1 1141 . 1 1 91 91 ARG HG2 H 1 0.939 0.020 . 2 . . . . . 91 ARG HG2 . 27853 1 1142 . 1 1 91 91 ARG HG3 H 1 0.858 0.020 . 2 . . . . . 91 ARG HG3 . 27853 1 1143 . 1 1 91 91 ARG HD2 H 1 2.779 0.020 . 1 . . . . . 91 ARG HD2 . 27853 1 1144 . 1 1 91 91 ARG HD3 H 1 2.779 0.020 . 1 . . . . . 91 ARG HD3 . 27853 1 1145 . 1 1 91 91 ARG C C 13 177.783 0.3 . 1 . . . . . 91 ARG C . 27853 1 1146 . 1 1 91 91 ARG CA C 13 58.983 0.3 . 1 . . . . . 91 ARG CA . 27853 1 1147 . 1 1 91 91 ARG CB C 13 29.972 0.3 . 1 . . . . . 91 ARG CB . 27853 1 1148 . 1 1 91 91 ARG CG C 13 26.341 0.3 . 1 . . . . . 91 ARG CG . 27853 1 1149 . 1 1 91 91 ARG CD C 13 43.335 0.3 . 1 . . . . . 91 ARG CD . 27853 1 1150 . 1 1 91 91 ARG N N 15 119.230 0.3 . 1 . . . . . 91 ARG N . 27853 1 1151 . 1 1 92 92 TYR H H 1 8.008 0.020 . 1 . . . . . 92 TYR H . 27853 1 1152 . 1 1 92 92 TYR HA H 1 4.050 0.020 . 1 . . . . . 92 TYR HA . 27853 1 1153 . 1 1 92 92 TYR HB2 H 1 3.086 0.020 . 2 . . . . . 92 TYR HB2 . 27853 1 1154 . 1 1 92 92 TYR HB3 H 1 2.454 0.020 . 2 . . . . . 92 TYR HB3 . 27853 1 1155 . 1 1 92 92 TYR HD1 H 1 6.759 0.020 . 3 . . . . . 92 TYR HD1 . 27853 1 1156 . 1 1 92 92 TYR HD2 H 1 6.905 0.020 . 3 . . . . . 92 TYR HD2 . 27853 1 1157 . 1 1 92 92 TYR HE1 H 1 6.644 0.020 . 1 . . . . . 92 TYR HE1 . 27853 1 1158 . 1 1 92 92 TYR HE2 H 1 6.644 0.020 . 1 . . . . . 92 TYR HE2 . 27853 1 1159 . 1 1 92 92 TYR HH H 1 8.660 0.020 . 1 . . . . . 92 TYR HH . 27853 1 1160 . 1 1 92 92 TYR C C 13 174.493 0.3 . 1 . . . . . 92 TYR C . 27853 1 1161 . 1 1 92 92 TYR CA C 13 57.043 0.3 . 1 . . . . . 92 TYR CA . 27853 1 1162 . 1 1 92 92 TYR CB C 13 38.334 0.3 . 1 . . . . . 92 TYR CB . 27853 1 1163 . 1 1 92 92 TYR CD1 C 13 132.000 0.3 . 1 . . . . . 92 TYR CD1 . 27853 1 1164 . 1 1 92 92 TYR CD2 C 13 132.000 0.3 . 1 . . . . . 92 TYR CD2 . 27853 1 1165 . 1 1 92 92 TYR CE1 C 13 117.898 0.3 . 1 . . . . . 92 TYR CE1 . 27853 1 1166 . 1 1 92 92 TYR CE2 C 13 117.898 0.3 . 1 . . . . . 92 TYR CE2 . 27853 1 1167 . 1 1 92 92 TYR N N 15 113.945 0.3 . 1 . . . . . 92 TYR N . 27853 1 1168 . 1 1 93 93 GLY H H 1 7.310 0.020 . 1 . . . . . 93 GLY H . 27853 1 1169 . 1 1 93 93 GLY HA2 H 1 3.367 0.020 . 1 . . . . . 93 GLY HA2 . 27853 1 1170 . 1 1 93 93 GLY HA3 H 1 3.367 0.020 . 1 . . . . . 93 GLY HA3 . 27853 1 1171 . 1 1 93 93 GLY C C 13 173.377 0.3 . 1 . . . . . 93 GLY C . 27853 1 1172 . 1 1 93 93 GLY CA C 13 47.379 0.3 . 1 . . . . . 93 GLY CA . 27853 1 1173 . 1 1 93 93 GLY N N 15 110.678 0.3 . 1 . . . . . 93 GLY N . 27853 1 1174 . 1 1 94 94 ALA H H 1 8.970 0.020 . 1 . . . . . 94 ALA H . 27853 1 1175 . 1 1 94 94 ALA HA H 1 5.600 0.020 . 1 . . . . . 94 ALA HA . 27853 1 1176 . 1 1 94 94 ALA HB1 H 1 1.210 0.020 . 1 . . . . . 94 ALA HB . 27853 1 1177 . 1 1 94 94 ALA HB2 H 1 1.210 0.020 . 1 . . . . . 94 ALA HB . 27853 1 1178 . 1 1 94 94 ALA HB3 H 1 1.210 0.020 . 1 . . . . . 94 ALA HB . 27853 1 1179 . 1 1 94 94 ALA C C 13 174.437 0.3 . 1 . . . . . 94 ALA C . 27853 1 1180 . 1 1 94 94 ALA CA C 13 50.370 0.3 . 1 . . . . . 94 ALA CA . 27853 1 1181 . 1 1 94 94 ALA CB C 13 24.774 0.3 . 1 . . . . . 94 ALA CB . 27853 1 1182 . 1 1 94 94 ALA N N 15 121.178 0.3 . 1 . . . . . 94 ALA N . 27853 1 1183 . 1 1 95 95 VAL H H 1 8.972 0.020 . 1 . . . . . 95 VAL H . 27853 1 1184 . 1 1 95 95 VAL HA H 1 5.010 0.020 . 1 . . . . . 95 VAL HA . 27853 1 1185 . 1 1 95 95 VAL HB H 1 1.946 0.020 . 1 . . . . . 95 VAL HB . 27853 1 1186 . 1 1 95 95 VAL HG11 H 1 0.799 0.020 . 2 . . . . . 95 VAL HG1 . 27853 1 1187 . 1 1 95 95 VAL HG12 H 1 0.799 0.020 . 2 . . . . . 95 VAL HG1 . 27853 1 1188 . 1 1 95 95 VAL HG13 H 1 0.799 0.020 . 2 . . . . . 95 VAL HG1 . 27853 1 1189 . 1 1 95 95 VAL HG21 H 1 0.636 0.020 . 2 . . . . . 95 VAL HG2 . 27853 1 1190 . 1 1 95 95 VAL HG22 H 1 0.636 0.020 . 2 . . . . . 95 VAL HG2 . 27853 1 1191 . 1 1 95 95 VAL HG23 H 1 0.636 0.020 . 2 . . . . . 95 VAL HG2 . 27853 1 1192 . 1 1 95 95 VAL C C 13 174.076 0.3 . 1 . . . . . 95 VAL C . 27853 1 1193 . 1 1 95 95 VAL CA C 13 58.541 0.3 . 1 . . . . . 95 VAL CA . 27853 1 1194 . 1 1 95 95 VAL CB C 13 35.633 0.3 . 1 . . . . . 95 VAL CB . 27853 1 1195 . 1 1 95 95 VAL CG1 C 13 21.942 0.3 . 1 . . . . . 95 VAL CG1 . 27853 1 1196 . 1 1 95 95 VAL CG2 C 13 21.989 0.3 . 1 . . . . . 95 VAL CG2 . 27853 1 1197 . 1 1 95 95 VAL N N 15 117.019 0.3 . 1 . . . . . 95 VAL N . 27853 1 1198 . 1 1 96 96 PRO HA H 1 5.085 0.020 . 1 . . . . . 96 PRO HA . 27853 1 1199 . 1 1 96 96 PRO HB2 H 1 1.782 0.020 . 2 . . . . . 96 PRO HB2 . 27853 1 1200 . 1 1 96 96 PRO HB3 H 1 1.696 0.020 . 2 . . . . . 96 PRO HB3 . 27853 1 1201 . 1 1 96 96 PRO HG2 H 1 2.271 0.020 . 2 . . . . . 96 PRO HG2 . 27853 1 1202 . 1 1 96 96 PRO HG3 H 1 1.579 0.020 . 2 . . . . . 96 PRO HG3 . 27853 1 1203 . 1 1 96 96 PRO HD2 H 1 4.185 0.020 . 2 . . . . . 96 PRO HD2 . 27853 1 1204 . 1 1 96 96 PRO HD3 H 1 3.999 0.020 . 2 . . . . . 96 PRO HD3 . 27853 1 1205 . 1 1 96 96 PRO C C 13 176.575 0.3 . 1 . . . . . 96 PRO C . 27853 1 1206 . 1 1 96 96 PRO CA C 13 60.796 0.3 . 1 . . . . . 96 PRO CA . 27853 1 1207 . 1 1 96 96 PRO CB C 13 31.575 0.3 . 1 . . . . . 96 PRO CB . 27853 1 1208 . 1 1 96 96 PRO CG C 13 28.427 0.3 . 1 . . . . . 96 PRO CG . 27853 1 1209 . 1 1 96 96 PRO CD C 13 52.234 0.3 . 1 . . . . . 96 PRO CD . 27853 1 1210 . 1 1 97 97 ILE H H 1 8.538 0.020 . 1 . . . . . 97 ILE H . 27853 1 1211 . 1 1 97 97 ILE HA H 1 4.515 0.020 . 1 . . . . . 97 ILE HA . 27853 1 1212 . 1 1 97 97 ILE HB H 1 1.748 0.020 . 1 . . . . . 97 ILE HB . 27853 1 1213 . 1 1 97 97 ILE HG12 H 1 1.194 0.020 . 2 . . . . . 97 ILE HG12 . 27853 1 1214 . 1 1 97 97 ILE HG13 H 1 0.661 0.020 . 2 . . . . . 97 ILE HG13 . 27853 1 1215 . 1 1 97 97 ILE HG21 H 1 0.786 0.020 . 1 . . . . . 97 ILE HG2 . 27853 1 1216 . 1 1 97 97 ILE HG22 H 1 0.786 0.020 . 1 . . . . . 97 ILE HG2 . 27853 1 1217 . 1 1 97 97 ILE HG23 H 1 0.786 0.020 . 1 . . . . . 97 ILE HG2 . 27853 1 1218 . 1 1 97 97 ILE HD11 H 1 0.473 0.020 . 1 . . . . . 97 ILE HD1 . 27853 1 1219 . 1 1 97 97 ILE HD12 H 1 0.473 0.020 . 1 . . . . . 97 ILE HD1 . 27853 1 1220 . 1 1 97 97 ILE HD13 H 1 0.473 0.020 . 1 . . . . . 97 ILE HD1 . 27853 1 1221 . 1 1 97 97 ILE C C 13 176.310 0.3 . 1 . . . . . 97 ILE C . 27853 1 1222 . 1 1 97 97 ILE CA C 13 61.327 0.3 . 1 . . . . . 97 ILE CA . 27853 1 1223 . 1 1 97 97 ILE CB C 13 40.458 0.3 . 1 . . . . . 97 ILE CB . 27853 1 1224 . 1 1 97 97 ILE CG1 C 13 26.174 0.3 . 1 . . . . . 97 ILE CG1 . 27853 1 1225 . 1 1 97 97 ILE CG2 C 13 19.803 0.3 . 1 . . . . . 97 ILE CG2 . 27853 1 1226 . 1 1 97 97 ILE CD1 C 13 13.415 0.3 . 1 . . . . . 97 ILE CD1 . 27853 1 1227 . 1 1 97 97 ILE N N 15 112.730 0.3 . 1 . . . . . 97 ILE N . 27853 1 1228 . 1 1 98 98 GLY H H 1 7.082 0.020 . 1 . . . . . 98 GLY H . 27853 1 1229 . 1 1 98 98 GLY HA2 H 1 3.712 0.020 . 1 . . . . . 98 GLY HA2 . 27853 1 1230 . 1 1 98 98 GLY HA3 H 1 3.712 0.020 . 2 . . . . . 98 GLY HA3 . 27853 1 1231 . 1 1 98 98 GLY C C 13 169.50 0.3 . 1 . . . . . 98 GLY C . 27853 1 1232 . 1 1 98 98 GLY CA C 13 45.458 0.3 . 1 . . . . . 98 GLY CA . 27853 1 1233 . 1 1 98 98 GLY N N 15 109.207 0.3 . 1 . . . . . 98 GLY N . 27853 1 1234 . 1 1 99 99 PHE H H 1 8.845 0.020 . 1 . . . . . 99 PHE H . 27853 1 1235 . 1 1 99 99 PHE HA H 1 5.496 0.020 . 1 . . . . . 99 PHE HA . 27853 1 1236 . 1 1 99 99 PHE HB2 H 1 2.810 0.020 . 1 . . . . . 99 PHE HB2 . 27853 1 1237 . 1 1 99 99 PHE HB3 H 1 2.810 0.020 . 1 . . . . . 99 PHE HB3 . 27853 1 1238 . 1 1 99 99 PHE HD1 H 1 7.217 0.020 . 1 . . . . . 99 PHE HD1 . 27853 1 1239 . 1 1 99 99 PHE HD2 H 1 7.217 0.020 . 1 . . . . . 99 PHE HD2 . 27853 1 1240 . 1 1 99 99 PHE HE1 H 1 7.050 0.020 . 1 . . . . . 99 PHE HE1 . 27853 1 1241 . 1 1 99 99 PHE HE2 H 1 7.050 0.020 . 1 . . . . . 99 PHE HE2 . 27853 1 1242 . 1 1 99 99 PHE HZ H 1 7.035 0.020 . 1 . . . . . 99 PHE HZ . 27853 1 1243 . 1 1 99 99 PHE C C 13 175.688 0.3 . 1 . . . . . 99 PHE C . 27853 1 1244 . 1 1 99 99 PHE CA C 13 56.118 0.3 . 1 . . . . . 99 PHE CA . 27853 1 1245 . 1 1 99 99 PHE CB C 13 42.597 0.3 . 1 . . . . . 99 PHE CB . 27853 1 1246 . 1 1 99 99 PHE CD1 C 13 131.783 0.3 . 1 . . . . . 99 PHE CD1 . 27853 1 1247 . 1 1 99 99 PHE CD2 C 13 131.783 0.3 . 1 . . . . . 99 PHE CD2 . 27853 1 1248 . 1 1 99 99 PHE CE1 C 13 128.568 0.3 . 1 . . . . . 99 PHE CE1 . 27853 1 1249 . 1 1 99 99 PHE CE2 C 13 128.568 0.3 . 1 . . . . . 99 PHE CE2 . 27853 1 1250 . 1 1 99 99 PHE CZ C 13 132.226 0.3 . 1 . . . . . 99 PHE CZ . 27853 1 1251 . 1 1 99 99 PHE N N 15 118.066 0.3 . 1 . . . . . 99 PHE N . 27853 1 1252 . 1 1 100 100 GLN H H 1 9.087 0.020 . 1 . . . . . 100 GLN H . 27853 1 1253 . 1 1 100 100 GLN HA H 1 4.509 0.020 . 1 . . . . . 100 GLN HA . 27853 1 1254 . 1 1 100 100 GLN HB2 H 1 1.885 0.020 . 1 . . . . . 100 GLN HB2 . 27853 1 1255 . 1 1 100 100 GLN HB3 H 1 1.885 0.020 . 1 . . . . . 100 GLN HB3 . 27853 1 1256 . 1 1 100 100 GLN HG2 H 1 2.246 0.020 . 1 . . . . . 100 GLN HG2 . 27853 1 1257 . 1 1 100 100 GLN HG3 H 1 2.246 0.020 . 1 . . . . . 100 GLN HG3 . 27853 1 1258 . 1 1 100 100 GLN HE21 H 1 7.351 0.020 . 1 . . . . . 100 GLN HE21 . 27853 1 1259 . 1 1 100 100 GLN HE22 H 1 6.679 0.020 . 1 . . . . . 100 GLN HE22 . 27853 1 1260 . 1 1 100 100 GLN C C 13 175.749 0.3 . 1 . . . . . 100 GLN C . 27853 1 1261 . 1 1 100 100 GLN CA C 13 55.520 0.3 . 1 . . . . . 100 GLN CA . 27853 1 1262 . 1 1 100 100 GLN CB C 13 31.406 0.3 . 1 . . . . . 100 GLN CB . 27853 1 1263 . 1 1 100 100 GLN CG C 13 33.640 0.3 . 1 . . . . . 100 GLN CG . 27853 1 1264 . 1 1 100 100 GLN N N 15 121.163 0.3 . 1 . . . . . 100 GLN N . 27853 1 1265 . 1 1 100 100 GLN NE2 N 15 111.166 0.3 . 1 . . . . . 100 GLN NE2 . 27853 1 1266 . 1 1 101 101 ASN H H 1 9.443 0.020 . 1 . . . . . 101 ASN H . 27853 1 1267 . 1 1 101 101 ASN HA H 1 4.369 0.020 . 1 . . . . . 101 ASN HA . 27853 1 1268 . 1 1 101 101 ASN HB2 H 1 3.088 0.020 . 2 . . . . . 101 ASN HB2 . 27853 1 1269 . 1 1 101 101 ASN HB3 H 1 2.772 0.020 . 2 . . . . . 101 ASN HB3 . 27853 1 1270 . 1 1 101 101 ASN HD21 H 1 7.594 0.020 . 1 . . . . . 101 ASN HD21 . 27853 1 1271 . 1 1 101 101 ASN HD22 H 1 6.815 0.020 . 1 . . . . . 101 ASN HD22 . 27853 1 1272 . 1 1 101 101 ASN C C 13 174.932 0.3 . 1 . . . . . 101 ASN C . 27853 1 1273 . 1 1 101 101 ASN CA C 13 54.160 0.3 . 1 . . . . . 101 ASN CA . 27853 1 1274 . 1 1 101 101 ASN CB C 13 37.697 0.3 . 1 . . . . . 101 ASN CB . 27853 1 1275 . 1 1 101 101 ASN N N 15 125.575 0.3 . 1 . . . . . 101 ASN N . 27853 1 1276 . 1 1 101 101 ASN ND2 N 15 112.855 0.3 . 1 . . . . . 101 ASN ND2 . 27853 1 1277 . 1 1 102 102 GLY H H 1 8.609 0.020 . 1 . . . . . 102 GLY H . 27853 1 1278 . 1 1 102 102 GLY HA2 H 1 4.177 0.020 . 2 . . . . . 102 GLY HA2 . 27853 1 1279 . 1 1 102 102 GLY HA3 H 1 3.632 0.020 . 2 . . . . . 102 GLY HA3 . 27853 1 1280 . 1 1 102 102 GLY C C 13 174.057 0.3 . 1 . . . . . 102 GLY C . 27853 1 1281 . 1 1 102 102 GLY CA C 13 45.295 0.3 . 1 . . . . . 102 GLY CA . 27853 1 1282 . 1 1 102 102 GLY N N 15 103.951 0.3 . 1 . . . . . 102 GLY N . 27853 1 1283 . 1 1 103 103 GLU H H 1 7.973 0.020 . 1 . . . . . 103 GLU H . 27853 1 1284 . 1 1 103 103 GLU HA H 1 4.481 0.020 . 1 . . . . . 103 GLU HA . 27853 1 1285 . 1 1 103 103 GLU HB2 H 1 2.057 0.020 . 2 . . . . . 103 GLU HB2 . 27853 1 1286 . 1 1 103 103 GLU HB3 H 1 1.618 0.020 . 2 . . . . . 103 GLU HB3 . 27853 1 1287 . 1 1 103 103 GLU HG2 H 1 1.946 0.020 . 1 . . . . . 103 GLU HG2 . 27853 1 1288 . 1 1 103 103 GLU HG3 H 1 1.946 0.020 . 1 . . . . . 103 GLU HG3 . 27853 1 1289 . 1 1 103 103 GLU C C 13 175.560 0.3 . 1 . . . . . 103 GLU C . 27853 1 1290 . 1 1 103 103 GLU CA C 13 54.589 0.3 . 1 . . . . . 103 GLU CA . 27853 1 1291 . 1 1 103 103 GLU CB C 13 31.384 0.3 . 1 . . . . . 103 GLU CB . 27853 1 1292 . 1 1 103 103 GLU CG C 13 36.265 0.3 . 1 . . . . . 103 GLU CG . 27853 1 1293 . 1 1 103 103 GLU N N 15 120.591 0.3 . 1 . . . . . 103 GLU N . 27853 1 1294 . 1 1 104 104 VAL H H 1 8.384 0.020 . 1 . . . . . 104 VAL H . 27853 1 1295 . 1 1 104 104 VAL HA H 1 4.296 0.020 . 1 . . . . . 104 VAL HA . 27853 1 1296 . 1 1 104 104 VAL HB H 1 1.824 0.020 . 1 . . . . . 104 VAL HB . 27853 1 1297 . 1 1 104 104 VAL HG11 H 1 0.787 0.020 . 2 . . . . . 104 VAL HG1 . 27853 1 1298 . 1 1 104 104 VAL HG12 H 1 0.787 0.020 . 2 . . . . . 104 VAL HG1 . 27853 1 1299 . 1 1 104 104 VAL HG13 H 1 0.787 0.020 . 2 . . . . . 104 VAL HG1 . 27853 1 1300 . 1 1 104 104 VAL HG21 H 1 0.775 0.020 . 2 . . . . . 104 VAL HG2 . 27853 1 1301 . 1 1 104 104 VAL HG22 H 1 0.775 0.020 . 2 . . . . . 104 VAL HG2 . 27853 1 1302 . 1 1 104 104 VAL HG23 H 1 0.775 0.020 . 2 . . . . . 104 VAL HG2 . 27853 1 1303 . 1 1 104 104 VAL C C 13 174.212 0.3 . 1 . . . . . 104 VAL C . 27853 1 1304 . 1 1 104 104 VAL CA C 13 60.816 0.3 . 1 . . . . . 104 VAL CA . 27853 1 1305 . 1 1 104 104 VAL CB C 13 32.731 0.3 . 1 . . . . . 104 VAL CB . 27853 1 1306 . 1 1 104 104 VAL CG1 C 13 22.079 0.3 . 1 . . . . . 104 VAL CG1 . 27853 1 1307 . 1 1 104 104 VAL CG2 C 13 20.747 0.3 . 1 . . . . . 104 VAL CG2 . 27853 1 1308 . 1 1 104 104 VAL N N 15 122.333 0.3 . 1 . . . . . 104 VAL N . 27853 1 1309 . 1 1 105 105 GLU H H 1 8.782 0.020 . 1 . . . . . 105 GLU H . 27853 1 1310 . 1 1 105 105 GLU HA H 1 4.894 0.020 . 1 . . . . . 105 GLU HA . 27853 1 1311 . 1 1 105 105 GLU HB2 H 1 1.905 0.020 . 2 . . . . . 105 GLU HB2 . 27853 1 1312 . 1 1 105 105 GLU HB3 H 1 1.699 0.020 . 2 . . . . . 105 GLU HB3 . 27853 1 1313 . 1 1 105 105 GLU HG2 H 1 2.179 0.020 . 2 . . . . . 105 GLU HG2 . 27853 1 1314 . 1 1 105 105 GLU HG3 H 1 1.991 0.020 . 2 . . . . . 105 GLU HG3 . 27853 1 1315 . 1 1 105 105 GLU C C 13 175.960 0.3 . 1 . . . . . 105 GLU C . 27853 1 1316 . 1 1 105 105 GLU CA C 13 55.242 0.3 . 1 . . . . . 105 GLU CA . 27853 1 1317 . 1 1 105 105 GLU CB C 13 31.107 0.3 . 1 . . . . . 105 GLU CB . 27853 1 1318 . 1 1 105 105 GLU CG C 13 36.851 0.3 . 1 . . . . . 105 GLU CG . 27853 1 1319 . 1 1 105 105 GLU N N 15 127.340 0.3 . 1 . . . . . 105 GLU N . 27853 1 1320 . 1 1 106 106 VAL H H 1 8.870 0.020 . 1 . . . . . 106 VAL H . 27853 1 1321 . 1 1 106 106 VAL HA H 1 4.716 0.020 . 1 . . . . . 106 VAL HA . 27853 1 1322 . 1 1 106 106 VAL HB H 1 1.786 0.020 . 1 . . . . . 106 VAL HB . 27853 1 1323 . 1 1 106 106 VAL HG11 H 1 0.554 0.020 . 2 . . . . . 106 VAL HG1 . 27853 1 1324 . 1 1 106 106 VAL HG12 H 1 0.554 0.020 . 2 . . . . . 106 VAL HG1 . 27853 1 1325 . 1 1 106 106 VAL HG13 H 1 0.554 0.020 . 2 . . . . . 106 VAL HG1 . 27853 1 1326 . 1 1 106 106 VAL HG21 H 1 0.846 0.020 . 2 . . . . . 106 VAL HG2 . 27853 1 1327 . 1 1 106 106 VAL HG22 H 1 0.846 0.020 . 2 . . . . . 106 VAL HG2 . 27853 1 1328 . 1 1 106 106 VAL HG23 H 1 0.846 0.020 . 2 . . . . . 106 VAL HG2 . 27853 1 1329 . 1 1 106 106 VAL C C 13 173.930 0.3 . 1 . . . . . 106 VAL C . 27853 1 1330 . 1 1 106 106 VAL CA C 13 60.579 0.3 . 1 . . . . . 106 VAL CA . 27853 1 1331 . 1 1 106 106 VAL CB C 13 34.660 0.3 . 1 . . . . . 106 VAL CB . 27853 1 1332 . 1 1 106 106 VAL CG1 C 13 21.678 0.3 . 1 . . . . . 106 VAL CG1 . 27853 1 1333 . 1 1 106 106 VAL CG2 C 13 22.304 0.3 . 1 . . . . . 106 VAL CG2 . 27853 1 1334 . 1 1 106 106 VAL N N 15 124.043 0.3 . 1 . . . . . 106 VAL N . 27853 1 1335 . 1 1 107 107 VAL H H 1 8.945 0.020 . 1 . . . . . 107 VAL H . 27853 1 1336 . 1 1 107 107 VAL HA H 1 4.650 0.020 . 1 . . . . . 107 VAL HA . 27853 1 1337 . 1 1 107 107 VAL HB H 1 2.067 0.020 . 1 . . . . . 107 VAL HB . 27853 1 1338 . 1 1 107 107 VAL HG11 H 1 0.950 0.020 . 2 . . . . . 107 VAL HG1 . 27853 1 1339 . 1 1 107 107 VAL HG12 H 1 0.950 0.020 . 2 . . . . . 107 VAL HG1 . 27853 1 1340 . 1 1 107 107 VAL HG13 H 1 0.950 0.020 . 2 . . . . . 107 VAL HG1 . 27853 1 1341 . 1 1 107 107 VAL HG21 H 1 0.766 0.020 . 2 . . . . . 107 VAL HG2 . 27853 1 1342 . 1 1 107 107 VAL HG22 H 1 0.766 0.020 . 2 . . . . . 107 VAL HG2 . 27853 1 1343 . 1 1 107 107 VAL HG23 H 1 0.766 0.020 . 2 . . . . . 107 VAL HG2 . 27853 1 1344 . 1 1 107 107 VAL C C 13 175.278 0.3 . 1 . . . . . 107 VAL C . 27853 1 1345 . 1 1 107 107 VAL CA C 13 61.964 0.3 . 1 . . . . . 107 VAL CA . 27853 1 1346 . 1 1 107 107 VAL CB C 13 31.827 0.3 . 1 . . . . . 107 VAL CB . 27853 1 1347 . 1 1 107 107 VAL CG1 C 13 22.922 0.3 . 1 . . . . . 107 VAL CG1 . 27853 1 1348 . 1 1 107 107 VAL CG2 C 13 21.861 0.3 . 1 . . . . . 107 VAL CG2 . 27853 1 1349 . 1 1 107 107 VAL N N 15 126.848 0.3 . 1 . . . . . 107 VAL N . 27853 1 1350 . 1 1 108 108 LEU H H 1 9.568 0.020 . 1 . . . . . 108 LEU H . 27853 1 1351 . 1 1 108 108 LEU HA H 1 5.953 0.020 . 1 . . . . . 108 LEU HA . 27853 1 1352 . 1 1 108 108 LEU HB2 H 1 1.924 0.020 . 2 . . . . . 108 LEU HB2 . 27853 1 1353 . 1 1 108 108 LEU HB3 H 1 1.781 0.020 . 2 . . . . . 108 LEU HB3 . 27853 1 1354 . 1 1 108 108 LEU HG H 1 2.104 0.020 . 1 . . . . . 108 LEU HG . 27853 1 1355 . 1 1 108 108 LEU HD11 H 1 1.057 0.020 . 2 . . . . . 108 LEU HD1 . 27853 1 1356 . 1 1 108 108 LEU HD12 H 1 1.057 0.020 . 2 . . . . . 108 LEU HD1 . 27853 1 1357 . 1 1 108 108 LEU HD13 H 1 1.057 0.020 . 2 . . . . . 108 LEU HD1 . 27853 1 1358 . 1 1 108 108 LEU HD21 H 1 0.769 0.020 . 2 . . . . . 108 LEU HD2 . 27853 1 1359 . 1 1 108 108 LEU HD22 H 1 0.769 0.020 . 2 . . . . . 108 LEU HD2 . 27853 1 1360 . 1 1 108 108 LEU HD23 H 1 0.769 0.020 . 2 . . . . . 108 LEU HD2 . 27853 1 1361 . 1 1 108 108 LEU C C 13 176.660 0.3 . 1 . . . . . 108 LEU C . 27853 1 1362 . 1 1 108 108 LEU CA C 13 53.598 0.3 . 1 . . . . . 108 LEU CA . 27853 1 1363 . 1 1 108 108 LEU CB C 13 43.918 0.3 . 1 . . . . . 108 LEU CB . 27853 1 1364 . 1 1 108 108 LEU CG C 13 27.181 0.3 . 1 . . . . . 108 LEU CG . 27853 1 1365 . 1 1 108 108 LEU CD1 C 13 23.076 0.3 . 1 . . . . . 108 LEU CD1 . 27853 1 1366 . 1 1 108 108 LEU CD2 C 13 25.512 0.3 . 1 . . . . . 108 LEU CD2 . 27853 1 1367 . 1 1 108 108 LEU N N 15 129.460 0.3 . 1 . . . . . 108 LEU N . 27853 1 1368 . 1 1 109 109 SER H H 1 8.454 0.020 . 1 . . . . . 109 SER H . 27853 1 1369 . 1 1 109 109 SER HA H 1 4.943 0.020 . 1 . . . . . 109 SER HA . 27853 1 1370 . 1 1 109 109 SER HB2 H 1 3.507 0.020 . 2 . . . . . 109 SER HB2 . 27853 1 1371 . 1 1 109 109 SER HB3 H 1 2.563 0.020 . 2 . . . . . 109 SER HB3 . 27853 1 1372 . 1 1 109 109 SER C C 13 175.549 0.3 . 1 . . . . . 109 SER C . 27853 1 1373 . 1 1 109 109 SER CA C 13 57.261 0.3 . 1 . . . . . 109 SER CA . 27853 1 1374 . 1 1 109 109 SER CB C 13 64.073 0.3 . 1 . . . . . 109 SER CB . 27853 1 1375 . 1 1 109 109 SER N N 15 111.656 0.3 . 1 . . . . . 109 SER N . 27853 1 1376 . 1 1 110 110 ASP H H 1 8.173 0.020 . 1 . . . . . 110 ASP H . 27853 1 1377 . 1 1 110 110 ASP HA H 1 4.896 0.020 . 1 . . . . . 110 ASP HA . 27853 1 1378 . 1 1 110 110 ASP HB2 H 1 2.732 0.020 . 2 . . . . . 110 ASP HB2 . 27853 1 1379 . 1 1 110 110 ASP HB3 H 1 2.889 0.020 . 2 . . . . . 110 ASP HB3 . 27853 1 1380 . 1 1 110 110 ASP C C 13 175.911 0.3 . 1 . . . . . 110 ASP C . 27853 1 1381 . 1 1 110 110 ASP CA C 13 51.208 0.3 . 1 . . . . . 110 ASP CA . 27853 1 1382 . 1 1 110 110 ASP CB C 13 42.444 0.3 . 1 . . . . . 110 ASP CB . 27853 1 1383 . 1 1 110 110 ASP N N 15 122.049 0.3 . 1 . . . . . 110 ASP N . 27853 1 1384 . 1 1 111 111 PRO HA H 1 4.079 0.020 . 1 . . . . . 111 PRO HA . 27853 1 1385 . 1 1 111 111 PRO HB2 H 1 2.072 0.020 . 2 . . . . . 111 PRO HB2 . 27853 1 1386 . 1 1 111 111 PRO HB3 H 1 1.968 0.020 . 2 . . . . . 111 PRO HB3 . 27853 1 1387 . 1 1 111 111 PRO HG2 H 1 1.863 0.020 . 1 . . . . . 111 PRO HG2 . 27853 1 1388 . 1 1 111 111 PRO HG3 H 1 1.863 0.020 . 1 . . . . . 111 PRO HG3 . 27853 1 1389 . 1 1 111 111 PRO HD2 H 1 4.276 0.020 . 2 . . . . . 111 PRO HD2 . 27853 1 1390 . 1 1 111 111 PRO HD3 H 1 3.492 0.020 . 2 . . . . . 111 PRO HD3 . 27853 1 1391 . 1 1 111 111 PRO C C 13 176.838 0.3 . 1 . . . . . 111 PRO C . 27853 1 1392 . 1 1 111 111 PRO CA C 13 64.045 0.3 . 1 . . . . . 111 PRO CA . 27853 1 1393 . 1 1 111 111 PRO CB C 13 32.158 0.3 . 1 . . . . . 111 PRO CB . 27853 1 1394 . 1 1 111 111 PRO CG C 13 27.386 0.3 . 1 . . . . . 111 PRO CG . 27853 1 1395 . 1 1 111 111 PRO CD C 13 50.251 0.3 . 1 . . . . . 111 PRO CD . 27853 1 1396 . 1 1 112 112 ARG H H 1 8.390 0.020 . 1 . . . . . 112 ARG H . 27853 1 1397 . 1 1 112 112 ARG HA H 1 4.075 0.020 . 1 . . . . . 112 ARG HA . 27853 1 1398 . 1 1 112 112 ARG HB2 H 1 1.709 0.020 . 2 . . . . . 112 ARG HB2 . 27853 1 1399 . 1 1 112 112 ARG HB3 H 1 1.380 0.020 . 2 . . . . . 112 ARG HB3 . 27853 1 1400 . 1 1 112 112 ARG HG2 H 1 1.743 0.020 . 1 . . . . . 112 ARG HG2 . 27853 1 1401 . 1 1 112 112 ARG HG3 H 1 1.743 0.020 . 1 . . . . . 112 ARG HG3 . 27853 1 1402 . 1 1 112 112 ARG HD2 H 1 3.331 0.020 . 2 . . . . . 112 ARG HD2 . 27853 1 1403 . 1 1 112 112 ARG HD3 H 1 3.087 0.020 . 2 . . . . . 112 ARG HD3 . 27853 1 1404 . 1 1 112 112 ARG C C 13 177.663 0.3 . 1 . . . . . 112 ARG C . 27853 1 1405 . 1 1 112 112 ARG CA C 13 58.453 0.3 . 1 . . . . . 112 ARG CA . 27853 1 1406 . 1 1 112 112 ARG CB C 13 29.815 0.3 . 1 . . . . . 112 ARG CB . 27853 1 1407 . 1 1 112 112 ARG CG C 13 26.547 0.3 . 1 . . . . . 112 ARG CG . 27853 1 1408 . 1 1 112 112 ARG CD C 13 43.498 0.3 . 1 . . . . . 112 ARG CD . 27853 1 1409 . 1 1 112 112 ARG N N 15 118.018 0.3 . 1 . . . . . 112 ARG N . 27853 1 1410 . 1 1 113 113 HIS H H 1 7.044 0.020 . 1 . . . . . 113 HIS H . 27853 1 1411 . 1 1 113 113 HIS HA H 1 5.142 0.020 . 1 . . . . . 113 HIS HA . 27853 1 1412 . 1 1 113 113 HIS HB2 H 1 3.046 0.020 . 2 . . . . . 113 HIS HB2 . 27853 1 1413 . 1 1 113 113 HIS HB3 H 1 3.645 0.020 . 2 . . . . . 113 HIS HB3 . 27853 1 1414 . 1 1 113 113 HIS HD2 H 1 7.965 0.020 . 1 . . . . . 113 HIS HD2 . 27853 1 1415 . 1 1 113 113 HIS C C 13 174.471 0.3 . 1 . . . . . 113 HIS C . 27853 1 1416 . 1 1 113 113 HIS CA C 13 54.843 0.3 . 1 . . . . . 113 HIS CA . 27853 1 1417 . 1 1 113 113 HIS CB C 13 31.320 0.3 . 1 . . . . . 113 HIS CB . 27853 1 1418 . 1 1 113 113 HIS N N 15 113.203 0.3 . 1 . . . . . 113 HIS N . 27853 1 1419 . 1 1 114 114 LYS H H 1 7.159 0.020 . 1 . . . . . 114 LYS H . 27853 1 1420 . 1 1 114 114 LYS HA H 1 3.180 0.020 . 1 . . . . . 114 LYS HA . 27853 1 1421 . 1 1 114 114 LYS HB2 H 1 1.528 0.020 . 2 . . . . . 114 LYS HB2 . 27853 1 1422 . 1 1 114 114 LYS HB3 H 1 1.428 0.020 . 2 . . . . . 114 LYS HB3 . 27853 1 1423 . 1 1 114 114 LYS HG2 H 1 0.242 0.020 . 2 . . . . . 114 LYS HG2 . 27853 1 1424 . 1 1 114 114 LYS HG3 H 1 0.486 0.020 . 2 . . . . . 114 LYS HG3 . 27853 1 1425 . 1 1 114 114 LYS HD2 H 1 1.340 0.020 . 1 . . . . . 114 LYS HD2 . 27853 1 1426 . 1 1 114 114 LYS HD3 H 1 1.340 0.020 . 1 . . . . . 114 LYS HD3 . 27853 1 1427 . 1 1 114 114 LYS HE2 H 1 2.740 0.020 . 1 . . . . . 114 LYS HE2 . 27853 1 1428 . 1 1 114 114 LYS HE3 H 1 2.740 0.020 . 1 . . . . . 114 LYS HE3 . 27853 1 1429 . 1 1 114 114 LYS C C 13 176.252 0.3 . 1 . . . . . 114 LYS C . 27853 1 1430 . 1 1 114 114 LYS CA C 13 60.982 0.3 . 1 . . . . . 114 LYS CA . 27853 1 1431 . 1 1 114 114 LYS CB C 13 32.446 0.3 . 1 . . . . . 114 LYS CB . 27853 1 1432 . 1 1 114 114 LYS CG C 13 22.951 0.3 . 1 . . . . . 114 LYS CG . 27853 1 1433 . 1 1 114 114 LYS CD C 13 30.152 0.3 . 1 . . . . . 114 LYS CD . 27853 1 1434 . 1 1 114 114 LYS CE C 13 41.832 0.3 . 1 . . . . . 114 LYS CE . 27853 1 1435 . 1 1 114 114 LYS N N 15 119.487 0.3 . 1 . . . . . 114 LYS N . 27853 1 1436 . 1 1 115 115 GLU H H 1 8.623 0.020 . 1 . . . . . 115 GLU H . 27853 1 1437 . 1 1 115 115 GLU HA H 1 3.894 0.020 . 1 . . . . . 115 GLU HA . 27853 1 1438 . 1 1 115 115 GLU HB2 H 1 2.059 0.020 . 2 . . . . . 115 GLU HB2 . 27853 1 1439 . 1 1 115 115 GLU HB3 H 1 1.933 0.020 . 2 . . . . . 115 GLU HB3 . 27853 1 1440 . 1 1 115 115 GLU HG2 H 1 2.401 0.020 . 1 . . . . . 115 GLU HG2 . 27853 1 1441 . 1 1 115 115 GLU HG3 H 1 2.401 0.020 . 1 . . . . . 115 GLU HG3 . 27853 1 1442 . 1 1 115 115 GLU C C 13 178.935 0.3 . 1 . . . . . 115 GLU C . 27853 1 1443 . 1 1 115 115 GLU CA C 13 60.317 0.3 . 1 . . . . . 115 GLU CA . 27853 1 1444 . 1 1 115 115 GLU CB C 13 28.273 0.3 . 1 . . . . . 115 GLU CB . 27853 1 1445 . 1 1 115 115 GLU CG C 13 37.035 0.3 . 1 . . . . . 115 GLU CG . 27853 1 1446 . 1 1 115 115 GLU N N 15 116.786 0.3 . 1 . . . . . 115 GLU N . 27853 1 1447 . 1 1 116 116 ALA H H 1 8.012 0.020 . 1 . . . . . 116 ALA H . 27853 1 1448 . 1 1 116 116 ALA HA H 1 3.960 0.020 . 1 . . . . . 116 ALA HA . 27853 1 1449 . 1 1 116 116 ALA HB1 H 1 1.139 0.020 . 1 . . . . . 116 ALA HB . 27853 1 1450 . 1 1 116 116 ALA HB2 H 1 1.139 0.020 . 1 . . . . . 116 ALA HB . 27853 1 1451 . 1 1 116 116 ALA HB3 H 1 1.139 0.020 . 1 . . . . . 116 ALA HB . 27853 1 1452 . 1 1 116 116 ALA C C 13 180.677 0.3 . 1 . . . . . 116 ALA C . 27853 1 1453 . 1 1 116 116 ALA CA C 13 54.708 0.3 . 1 . . . . . 116 ALA CA . 27853 1 1454 . 1 1 116 116 ALA CB C 13 17.955 0.3 . 1 . . . . . 116 ALA CB . 27853 1 1455 . 1 1 116 116 ALA N N 15 122.303 0.3 . 1 . . . . . 116 ALA N . 27853 1 1456 . 1 1 117 117 VAL H H 1 7.824 0.020 . 1 . . . . . 117 VAL H . 27853 1 1457 . 1 1 117 117 VAL HA H 1 3.353 0.020 . 1 . . . . . 117 VAL HA . 27853 1 1458 . 1 1 117 117 VAL HB H 1 2.112 0.020 . 1 . . . . . 117 VAL HB . 27853 1 1459 . 1 1 117 117 VAL HG11 H 1 0.904 0.020 . 2 . . . . . 117 VAL HG1 . 27853 1 1460 . 1 1 117 117 VAL HG12 H 1 0.904 0.020 . 2 . . . . . 117 VAL HG1 . 27853 1 1461 . 1 1 117 117 VAL HG13 H 1 0.904 0.020 . 2 . . . . . 117 VAL HG1 . 27853 1 1462 . 1 1 117 117 VAL HG21 H 1 1.000 0.020 . 2 . . . . . 117 VAL HG2 . 27853 1 1463 . 1 1 117 117 VAL HG22 H 1 1.000 0.020 . 2 . . . . . 117 VAL HG2 . 27853 1 1464 . 1 1 117 117 VAL HG23 H 1 1.000 0.020 . 2 . . . . . 117 VAL HG2 . 27853 1 1465 . 1 1 117 117 VAL C C 13 177.533 0.3 . 1 . . . . . 117 VAL C . 27853 1 1466 . 1 1 117 117 VAL CA C 13 66.182 0.3 . 1 . . . . . 117 VAL CA . 27853 1 1467 . 1 1 117 117 VAL CB C 13 31.131 0.3 . 1 . . . . . 117 VAL CB . 27853 1 1468 . 1 1 117 117 VAL CG1 C 13 24.676 0.3 . 1 . . . . . 117 VAL CG1 . 27853 1 1469 . 1 1 117 117 VAL CG2 C 13 21.983 0.3 . 1 . . . . . 117 VAL CG2 . 27853 1 1470 . 1 1 117 117 VAL N N 15 117.576 0.3 . 1 . . . . . 117 VAL N . 27853 1 1471 . 1 1 118 118 ALA H H 1 8.646 0.020 . 1 . . . . . 118 ALA H . 27853 1 1472 . 1 1 118 118 ALA HA H 1 4.226 0.020 . 1 . . . . . 118 ALA HA . 27853 1 1473 . 1 1 118 118 ALA HB1 H 1 1.668 0.020 . 1 . . . . . 118 ALA HB . 27853 1 1474 . 1 1 118 118 ALA HB2 H 1 1.668 0.020 . 1 . . . . . 118 ALA HB . 27853 1 1475 . 1 1 118 118 ALA HB3 H 1 1.668 0.020 . 1 . . . . . 118 ALA HB . 27853 1 1476 . 1 1 118 118 ALA C C 13 181.018 0.3 . 1 . . . . . 118 ALA C . 27853 1 1477 . 1 1 118 118 ALA CA C 13 55.771 0.3 . 1 . . . . . 118 ALA CA . 27853 1 1478 . 1 1 118 118 ALA CB C 13 17.939 0.3 . 1 . . . . . 118 ALA CB . 27853 1 1479 . 1 1 118 118 ALA N N 15 122.835 0.3 . 1 . . . . . 118 ALA N . 27853 1 1480 . 1 1 119 119 GLN H H 1 7.834 0.020 . 1 . . . . . 119 GLN H . 27853 1 1481 . 1 1 119 119 GLN HA H 1 4.118 0.020 . 1 . . . . . 119 GLN HA . 27853 1 1482 . 1 1 119 119 GLN HB2 H 1 2.120 0.020 . 1 . . . . . 119 GLN HB2 . 27853 1 1483 . 1 1 119 119 GLN HB3 H 1 2.120 0.020 . 1 . . . . . 119 GLN HB3 . 27853 1 1484 . 1 1 119 119 GLN HG2 H 1 2.523 0.020 . 1 . . . . . 119 GLN HG2 . 27853 1 1485 . 1 1 119 119 GLN HG3 H 1 2.523 0.020 . 1 . . . . . 119 GLN HG3 . 27853 1 1486 . 1 1 119 119 GLN HE21 H 1 7.355 0.020 . 1 . . . . . 119 GLN HE21 . 27853 1 1487 . 1 1 119 119 GLN HE22 H 1 6.522 0.020 . 1 . . . . . 119 GLN HE22 . 27853 1 1488 . 1 1 119 119 GLN C C 13 177.811 0.3 . 1 . . . . . 119 GLN C . 27853 1 1489 . 1 1 119 119 GLN CA C 13 58.274 0.3 . 1 . . . . . 119 GLN CA . 27853 1 1490 . 1 1 119 119 GLN CB C 13 28.545 0.3 . 1 . . . . . 119 GLN CB . 27853 1 1491 . 1 1 119 119 GLN CG C 13 34.030 0.3 . 1 . . . . . 119 GLN CG . 27853 1 1492 . 1 1 119 119 GLN N N 15 116.573 0.3 . 1 . . . . . 119 GLN N . 27853 1 1493 . 1 1 119 119 GLN NE2 N 15 109.946 0.3 . 1 . . . . . 119 GLN NE2 . 27853 1 1494 . 1 1 120 120 LEU H H 1 7.515 0.020 . 1 . . . . . 120 LEU H . 27853 1 1495 . 1 1 120 120 LEU HA H 1 4.133 0.020 . 1 . . . . . 120 LEU HA . 27853 1 1496 . 1 1 120 120 LEU HB2 H 1 1.786 0.020 . 2 . . . . . 120 LEU HB2 . 27853 1 1497 . 1 1 120 120 LEU HB3 H 1 1.603 0.020 . 2 . . . . . 120 LEU HB3 . 27853 1 1498 . 1 1 120 120 LEU HG H 1 1.695 0.020 . 1 . . . . . 120 LEU HG . 27853 1 1499 . 1 1 120 120 LEU HD11 H 1 0.853 0.020 . 2 . . . . . 120 LEU HD1 . 27853 1 1500 . 1 1 120 120 LEU HD12 H 1 0.853 0.020 . 2 . . . . . 120 LEU HD1 . 27853 1 1501 . 1 1 120 120 LEU HD13 H 1 0.853 0.020 . 2 . . . . . 120 LEU HD1 . 27853 1 1502 . 1 1 120 120 LEU HD21 H 1 0.838 0.020 . 2 . . . . . 120 LEU HD2 . 27853 1 1503 . 1 1 120 120 LEU HD22 H 1 0.838 0.020 . 2 . . . . . 120 LEU HD2 . 27853 1 1504 . 1 1 120 120 LEU HD23 H 1 0.838 0.020 . 2 . . . . . 120 LEU HD2 . 27853 1 1505 . 1 1 120 120 LEU C C 13 179.194 0.3 . 1 . . . . . 120 LEU C . 27853 1 1506 . 1 1 120 120 LEU CA C 13 57.263 0.3 . 1 . . . . . 120 LEU CA . 27853 1 1507 . 1 1 120 120 LEU CB C 13 42.665 0.3 . 1 . . . . . 120 LEU CB . 27853 1 1508 . 1 1 120 120 LEU CG C 13 26.790 0.3 . 1 . . . . . 120 LEU CG . 27853 1 1509 . 1 1 120 120 LEU CD1 C 13 23.973 0.3 . 1 . . . . . 120 LEU CD1 . 27853 1 1510 . 1 1 120 120 LEU CD2 C 13 25.282 0.3 . 1 . . . . . 120 LEU CD2 . 27853 1 1511 . 1 1 120 120 LEU N N 15 119.889 0.3 . 1 . . . . . 120 LEU N . 27853 1 1512 . 1 1 121 121 LEU H H 1 8.071 0.020 . 1 . . . . . 121 LEU H . 27853 1 1513 . 1 1 121 121 LEU HA H 1 4.117 0.020 . 1 . . . . . 121 LEU HA . 27853 1 1514 . 1 1 121 121 LEU HB2 H 1 1.995 0.020 . 2 . . . . . 121 LEU HB2 . 27853 1 1515 . 1 1 121 121 LEU HB3 H 1 1.319 0.020 . 2 . . . . . 121 LEU HB3 . 27853 1 1516 . 1 1 121 121 LEU HG H 1 1.888 0.020 . 1 . . . . . 121 LEU HG . 27853 1 1517 . 1 1 121 121 LEU HD11 H 1 0.948 0.020 . 2 . . . . . 121 LEU HD1 . 27853 1 1518 . 1 1 121 121 LEU HD12 H 1 0.948 0.020 . 2 . . . . . 121 LEU HD1 . 27853 1 1519 . 1 1 121 121 LEU HD13 H 1 0.948 0.020 . 2 . . . . . 121 LEU HD1 . 27853 1 1520 . 1 1 121 121 LEU HD21 H 1 0.797 0.020 . 2 . . . . . 121 LEU HD2 . 27853 1 1521 . 1 1 121 121 LEU HD22 H 1 0.797 0.020 . 2 . . . . . 121 LEU HD2 . 27853 1 1522 . 1 1 121 121 LEU HD23 H 1 0.797 0.020 . 2 . . . . . 121 LEU HD2 . 27853 1 1523 . 1 1 121 121 LEU C C 13 177.869 0.3 . 1 . . . . . 121 LEU C . 27853 1 1524 . 1 1 121 121 LEU CA C 13 56.806 0.3 . 1 . . . . . 121 LEU CA . 27853 1 1525 . 1 1 121 121 LEU CB C 13 43.037 0.3 . 1 . . . . . 121 LEU CB . 27853 1 1526 . 1 1 121 121 LEU CG C 13 26.730 0.3 . 1 . . . . . 121 LEU CG . 27853 1 1527 . 1 1 121 121 LEU CD1 C 13 24.968 0.3 . 1 . . . . . 121 LEU CD1 . 27853 1 1528 . 1 1 121 121 LEU CD2 C 13 24.755 0.3 . 1 . . . . . 121 LEU CD2 . 27853 1 1529 . 1 1 121 121 LEU N N 15 117.057 0.3 . 1 . . . . . 121 LEU N . 27853 1 1530 . 1 1 122 122 ASN H H 1 8.158 0.020 . 1 . . . . . 122 ASN H . 27853 1 1531 . 1 1 122 122 ASN HA H 1 4.431 0.020 . 1 . . . . . 122 ASN HA . 27853 1 1532 . 1 1 122 122 ASN HB2 H 1 3.206 0.020 . 2 . . . . . 122 ASN HB2 . 27853 1 1533 . 1 1 122 122 ASN HB3 H 1 2.524 0.020 . 2 . . . . . 122 ASN HB3 . 27853 1 1534 . 1 1 122 122 ASN HD21 H 1 7.469 0.020 . 1 . . . . . 122 ASN HD21 . 27853 1 1535 . 1 1 122 122 ASN HD22 H 1 6.680 0.020 . 1 . . . . . 122 ASN HD22 . 27853 1 1536 . 1 1 122 122 ASN C C 13 173.396 0.3 . 1 . . . . . 122 ASN C . 27853 1 1537 . 1 1 122 122 ASN CA C 13 53.868 0.3 . 1 . . . . . 122 ASN CA . 27853 1 1538 . 1 1 122 122 ASN CB C 13 37.844 0.3 . 1 . . . . . 122 ASN CB . 27853 1 1539 . 1 1 122 122 ASN N N 15 113.841 0.3 . 1 . . . . . 122 ASN N . 27853 1 1540 . 1 1 122 122 ASN ND2 N 15 110.813 0.3 . 1 . . . . . 122 ASN ND2 . 27853 1 1541 . 1 1 123 123 ARG H H 1 7.272 0.020 . 1 . . . . . 123 ARG H . 27853 1 1542 . 1 1 123 123 ARG HA H 1 4.853 0.020 . 1 . . . . . 123 ARG HA . 27853 1 1543 . 1 1 123 123 ARG HB2 H 1 2.013 0.020 . 1 . . . . . 123 ARG HB2 . 27853 1 1544 . 1 1 123 123 ARG HB3 H 1 2.013 0.020 . 1 . . . . . 123 ARG HB3 . 27853 1 1545 . 1 1 123 123 ARG HG2 H 1 1.619 0.020 . 2 . . . . . 123 ARG HG2 . 27853 1 1546 . 1 1 123 123 ARG HG3 H 1 1.539 0.020 . 2 . . . . . 123 ARG HG3 . 27853 1 1547 . 1 1 123 123 ARG HD2 H 1 3.243 0.020 . 2 . . . . . 123 ARG HD2 . 27853 1 1548 . 1 1 123 123 ARG HD3 H 1 3.167 0.020 . 2 . . . . . 123 ARG HD3 . 27853 1 1549 . 1 1 123 123 ARG C C 13 172.527 0.3 . 1 . . . . . 123 ARG C . 27853 1 1550 . 1 1 123 123 ARG CA C 13 53.425 0.3 . 1 . . . . . 123 ARG CA . 27853 1 1551 . 1 1 123 123 ARG CB C 13 30.433 0.3 . 1 . . . . . 123 ARG CB . 27853 1 1552 . 1 1 123 123 ARG CG C 13 24.445 0.3 . 1 . . . . . 123 ARG CG . 27853 1 1553 . 1 1 123 123 ARG CD C 13 44.108 0.3 . 1 . . . . . 123 ARG CD . 27853 1 1554 . 1 1 123 123 ARG N N 15 112.512 0.3 . 1 . . . . . 123 ARG N . 27853 1 1555 . 1 1 124 124 PRO HA H 1 4.387 0.020 . 1 . . . . . 124 PRO HA . 27853 1 1556 . 1 1 124 124 PRO HB2 H 1 2.451 0.020 . 2 . . . . . 124 PRO HB2 . 27853 1 1557 . 1 1 124 124 PRO HB3 H 1 1.991 0.020 . 2 . . . . . 124 PRO HB3 . 27853 1 1558 . 1 1 124 124 PRO HG2 H 1 2.208 0.020 . 1 . . . . . 124 PRO HG2 . 27853 1 1559 . 1 1 124 124 PRO HG3 H 1 2.208 0.020 . 1 . . . . . 124 PRO HG3 . 27853 1 1560 . 1 1 124 124 PRO HD2 H 1 3.853 0.020 . 2 . . . . . 124 PRO HD2 . 27853 1 1561 . 1 1 124 124 PRO HD3 H 1 3.735 0.020 . 2 . . . . . 124 PRO HD3 . 27853 1 1562 . 1 1 124 124 PRO C C 13 175.917 0.3 . 1 . . . . . 124 PRO C . 27853 1 1563 . 1 1 124 124 PRO CA C 13 64.324 0.3 . 1 . . . . . 124 PRO CA . 27853 1 1564 . 1 1 124 124 PRO CB C 13 32.377 0.3 . 1 . . . . . 124 PRO CB . 27853 1 1565 . 1 1 124 124 PRO CG C 13 27.832 0.3 . 1 . . . . . 124 PRO CG . 27853 1 1566 . 1 1 124 124 PRO CD C 13 50.582 0.3 . 1 . . . . . 124 PRO CD . 27853 1 1567 . 1 1 125 125 ALA H H 1 8.123 0.020 . 1 . . . . . 125 ALA H . 27853 1 1568 . 1 1 125 125 ALA HA H 1 5.222 0.020 . 1 . . . . . 125 ALA HA . 27853 1 1569 . 1 1 125 125 ALA HB1 H 1 0.823 0.020 . 1 . . . . . 125 ALA HB . 27853 1 1570 . 1 1 125 125 ALA HB2 H 1 0.823 0.020 . 1 . . . . . 125 ALA HB . 27853 1 1571 . 1 1 125 125 ALA HB3 H 1 0.823 0.020 . 1 . . . . . 125 ALA HB . 27853 1 1572 . 1 1 125 125 ALA C C 13 174.671 0.3 . 1 . . . . . 125 ALA C . 27853 1 1573 . 1 1 125 125 ALA CA C 13 50.673 0.3 . 1 . . . . . 125 ALA CA . 27853 1 1574 . 1 1 125 125 ALA CB C 13 23.067 0.3 . 1 . . . . . 125 ALA CB . 27853 1 1575 . 1 1 125 125 ALA N N 15 125.208 0.3 . 1 . . . . . 125 ALA N . 27853 1 1576 . 1 1 126 126 ARG H H 1 8.680 0.020 . 1 . . . . . 126 ARG H . 27853 1 1577 . 1 1 126 126 ARG HA H 1 4.449 0.020 . 1 . . . . . 126 ARG HA . 27853 1 1578 . 1 1 126 126 ARG HB2 H 1 1.667 0.020 . 2 . . . . . 126 ARG HB2 . 27853 1 1579 . 1 1 126 126 ARG HB3 H 1 1.591 0.020 . 2 . . . . . 126 ARG HB3 . 27853 1 1580 . 1 1 126 126 ARG HG2 H 1 1.610 0.020 . 1 . . . . . 126 ARG HG2 . 27853 1 1581 . 1 1 126 126 ARG HG3 H 1 1.610 0.020 . 1 . . . . . 126 ARG HG3 . 27853 1 1582 . 1 1 126 126 ARG HD2 H 1 2.901 0.020 . 1 . . . . . 126 ARG HD2 . 27853 1 1583 . 1 1 126 126 ARG HD3 H 1 2.901 0.020 . 1 . . . . . 126 ARG HD3 . 27853 1 1584 . 1 1 126 126 ARG C C 13 173.977 0.3 . 1 . . . . . 126 ARG C . 27853 1 1585 . 1 1 126 126 ARG CA C 13 54.413 0.3 . 1 . . . . . 126 ARG CA . 27853 1 1586 . 1 1 126 126 ARG CB C 13 32.648 0.3 . 1 . . . . . 126 ARG CB . 27853 1 1587 . 1 1 126 126 ARG CG C 13 28.720 0.3 . 1 . . . . . 126 ARG CG . 27853 1 1588 . 1 1 126 126 ARG CD C 13 42.011 0.3 . 1 . . . . . 126 ARG CD . 27853 1 1589 . 1 1 126 126 ARG N N 15 122.297 0.3 . 1 . . . . . 126 ARG N . 27853 1 1590 . 1 1 127 127 PHE H H 1 8.468 0.020 . 1 . . . . . 127 PHE H . 27853 1 1591 . 1 1 127 127 PHE HA H 1 5.482 0.020 . 1 . . . . . 127 PHE HA . 27853 1 1592 . 1 1 127 127 PHE HB2 H 1 2.912 0.020 . 2 . . . . . 127 PHE HB2 . 27853 1 1593 . 1 1 127 127 PHE HB3 H 1 2.810 0.020 . 2 . . . . . 127 PHE HB3 . 27853 1 1594 . 1 1 127 127 PHE HD1 H 1 7.211 0.020 . 1 . . . . . 127 PHE HD1 . 27853 1 1595 . 1 1 127 127 PHE HD2 H 1 7.211 0.020 . 1 . . . . . 127 PHE HD2 . 27853 1 1596 . 1 1 127 127 PHE HE1 H 1 6.960 0.020 . 1 . . . . . 127 PHE HE1 . 27853 1 1597 . 1 1 127 127 PHE HE2 H 1 6.960 0.020 . 1 . . . . . 127 PHE HE2 . 27853 1 1598 . 1 1 127 127 PHE HZ H 1 7.167 0.020 . 1 . . . . . 127 PHE HZ . 27853 1 1599 . 1 1 127 127 PHE C C 13 174.908 0.3 . 1 . . . . . 127 PHE C . 27853 1 1600 . 1 1 127 127 PHE CA C 13 57.799 0.3 . 1 . . . . . 127 PHE CA . 27853 1 1601 . 1 1 127 127 PHE CB C 13 42.791 0.3 . 1 . . . . . 127 PHE CB . 27853 1 1602 . 1 1 127 127 PHE CD1 C 13 131.966 0.3 . 1 . . . . . 127 PHE CD1 . 27853 1 1603 . 1 1 127 127 PHE CD2 C 13 131.966 0.3 . 1 . . . . . 127 PHE CD2 . 27853 1 1604 . 1 1 127 127 PHE CE1 C 13 129.344 0.3 . 1 . . . . . 127 PHE CE1 . 27853 1 1605 . 1 1 127 127 PHE CE2 C 13 129.344 0.3 . 1 . . . . . 127 PHE CE2 . 27853 1 1606 . 1 1 127 127 PHE CZ C 13 131.405 0.3 . 1 . . . . . 127 PHE CZ . 27853 1 1607 . 1 1 127 127 PHE N N 15 121.404 0.3 . 1 . . . . . 127 PHE N . 27853 1 1608 . 1 1 128 128 TYR H H 1 9.180 0.020 . 1 . . . . . 128 TYR H . 27853 1 1609 . 1 1 128 128 TYR HA H 1 5.433 0.020 . 1 . . . . . 128 TYR HA . 27853 1 1610 . 1 1 128 128 TYR HB2 H 1 3.019 0.020 . 2 . . . . . 128 TYR HB2 . 27853 1 1611 . 1 1 128 128 TYR HB3 H 1 2.722 0.020 . 2 . . . . . 128 TYR HB3 . 27853 1 1612 . 1 1 128 128 TYR HD1 H 1 6.892 0.020 . 1 . . . . . 128 TYR HD1 . 27853 1 1613 . 1 1 128 128 TYR HD2 H 1 6.892 0.020 . 1 . . . . . 128 TYR HD2 . 27853 1 1614 . 1 1 128 128 TYR HE1 H 1 6.597 0.020 . 1 . . . . . 128 TYR HE1 . 27853 1 1615 . 1 1 128 128 TYR HE2 H 1 6.597 0.020 . 1 . . . . . 128 TYR HE2 . 27853 1 1616 . 1 1 128 128 TYR C C 13 174.504 0.3 . 1 . . . . . 128 TYR C . 27853 1 1617 . 1 1 128 128 TYR CA C 13 55.489 0.3 . 1 . . . . . 128 TYR CA . 27853 1 1618 . 1 1 128 128 TYR CB C 13 42.643 0.3 . 1 . . . . . 128 TYR CB . 27853 1 1619 . 1 1 128 128 TYR CD1 C 13 133.138 0.3 . 1 . . . . . 128 TYR CD1 . 27853 1 1620 . 1 1 128 128 TYR CD2 C 13 133.138 0.3 . 1 . . . . . 128 TYR CD2 . 27853 1 1621 . 1 1 128 128 TYR CE1 C 13 117.622 0.3 . 1 . . . . . 128 TYR CE1 . 27853 1 1622 . 1 1 128 128 TYR CE2 C 13 117.622 0.3 . 1 . . . . . 128 TYR CE2 . 27853 1 1623 . 1 1 128 128 TYR N N 15 120.866 0.3 . 1 . . . . . 128 TYR N . 27853 1 1624 . 1 1 129 129 LEU H H 1 8.935 0.020 . 1 . . . . . 129 LEU H . 27853 1 1625 . 1 1 129 129 LEU HA H 1 5.378 0.020 . 1 . . . . . 129 LEU HA . 27853 1 1626 . 1 1 129 129 LEU HB2 H 1 1.913 0.020 . 2 . . . . . 129 LEU HB2 . 27853 1 1627 . 1 1 129 129 LEU HB3 H 1 1.247 0.020 . 2 . . . . . 129 LEU HB3 . 27853 1 1628 . 1 1 129 129 LEU HG H 1 0.929 0.020 . 1 . . . . . 129 LEU HG . 27853 1 1629 . 1 1 129 129 LEU HD11 H 1 0.903 0.020 . 1 . . . . . 129 LEU HD1 . 27853 1 1630 . 1 1 129 129 LEU HD12 H 1 0.903 0.020 . 1 . . . . . 129 LEU HD1 . 27853 1 1631 . 1 1 129 129 LEU HD13 H 1 0.903 0.020 . 1 . . . . . 129 LEU HD1 . 27853 1 1632 . 1 1 129 129 LEU HD21 H 1 0.903 0.020 . 1 . . . . . 129 LEU HD2 . 27853 1 1633 . 1 1 129 129 LEU HD22 H 1 0.903 0.020 . 1 . . . . . 129 LEU HD2 . 27853 1 1634 . 1 1 129 129 LEU HD23 H 1 0.903 0.020 . 1 . . . . . 129 LEU HD2 . 27853 1 1635 . 1 1 129 129 LEU C C 13 172.912 0.3 . 1 . . . . . 129 LEU C . 27853 1 1636 . 1 1 129 129 LEU CA C 13 53.244 0.3 . 1 . . . . . 129 LEU CA . 27853 1 1637 . 1 1 129 129 LEU CB C 13 46.538 0.3 . 1 . . . . . 129 LEU CB . 27853 1 1638 . 1 1 129 129 LEU CG C 13 27.612 0.3 . 1 . . . . . 129 LEU CG . 27853 1 1639 . 1 1 129 129 LEU CD2 C 13 24.412 0.3 . 1 . . . . . 129 LEU CD2 . 27853 1 1640 . 1 1 129 129 LEU N N 15 123.348 0.3 . 1 . . . . . 129 LEU N . 27853 1 1641 . 1 1 130 130 ALA H H 1 8.463 0.020 . 1 . . . . . 130 ALA H . 27853 1 1642 . 1 1 130 130 ALA HA H 1 4.890 0.020 . 1 . . . . . 130 ALA HA . 27853 1 1643 . 1 1 130 130 ALA HB1 H 1 1.202 0.020 . 1 . . . . . 130 ALA HB . 27853 1 1644 . 1 1 130 130 ALA HB2 H 1 1.202 0.020 . 1 . . . . . 130 ALA HB . 27853 1 1645 . 1 1 130 130 ALA HB3 H 1 1.202 0.020 . 1 . . . . . 130 ALA HB . 27853 1 1646 . 1 1 130 130 ALA C C 13 174.900 0.3 . 1 . . . . . 130 ALA C . 27853 1 1647 . 1 1 130 130 ALA CA C 13 49.341 0.3 . 1 . . . . . 130 ALA CA . 27853 1 1648 . 1 1 130 130 ALA CB C 13 22.823 0.3 . 1 . . . . . 130 ALA CB . 27853 1 1649 . 1 1 130 130 ALA N N 15 126.586 0.3 . 1 . . . . . 130 ALA N . 27853 1 1650 . 1 1 131 131 LEU H H 1 8.469 0.020 . 1 . . . . . 131 LEU H . 27853 1 1651 . 1 1 131 131 LEU HA H 1 3.852 0.020 . 1 . . . . . 131 LEU HA . 27853 1 1652 . 1 1 131 131 LEU HB2 H 1 1.595 0.020 . 1 . . . . . 131 LEU HB2 . 27853 1 1653 . 1 1 131 131 LEU HB3 H 1 1.595 0.020 . 1 . . . . . 131 LEU HB3 . 27853 1 1654 . 1 1 131 131 LEU HG H 1 1.832 0.020 . 1 . . . . . 131 LEU HG . 27853 1 1655 . 1 1 131 131 LEU HD11 H 1 1.086 0.020 . 2 . . . . . 131 LEU HD1 . 27853 1 1656 . 1 1 131 131 LEU HD12 H 1 1.086 0.020 . 2 . . . . . 131 LEU HD1 . 27853 1 1657 . 1 1 131 131 LEU HD13 H 1 1.086 0.020 . 2 . . . . . 131 LEU HD1 . 27853 1 1658 . 1 1 131 131 LEU HD21 H 1 0.656 0.020 . 2 . . . . . 131 LEU HD2 . 27853 1 1659 . 1 1 131 131 LEU HD22 H 1 0.656 0.020 . 2 . . . . . 131 LEU HD2 . 27853 1 1660 . 1 1 131 131 LEU HD23 H 1 0.656 0.020 . 2 . . . . . 131 LEU HD2 . 27853 1 1661 . 1 1 131 131 LEU C C 13 176.501 0.3 . 1 . . . . . 131 LEU C . 27853 1 1662 . 1 1 131 131 LEU CA C 13 53.627 0.3 . 1 . . . . . 131 LEU CA . 27853 1 1663 . 1 1 131 131 LEU CB C 13 40.753 0.3 . 1 . . . . . 131 LEU CB . 27853 1 1664 . 1 1 131 131 LEU CG C 13 27.731 0.3 . 1 . . . . . 131 LEU CG . 27853 1 1665 . 1 1 131 131 LEU CD1 C 13 25.863 0.3 . 1 . . . . . 131 LEU CD1 . 27853 1 1666 . 1 1 131 131 LEU CD2 C 13 23.582 0.3 . 1 . . . . . 131 LEU CD2 . 27853 1 1667 . 1 1 131 131 LEU N N 15 117.123 0.3 . 1 . . . . . 131 LEU N . 27853 1 1668 . 1 1 132 132 PRO HA H 1 4.227 0.020 . 1 . . . . . 132 PRO HA . 27853 1 1669 . 1 1 132 132 PRO HB2 H 1 2.458 0.020 . 2 . . . . . 132 PRO HB2 . 27853 1 1670 . 1 1 132 132 PRO HB3 H 1 2.011 0.020 . 2 . . . . . 132 PRO HB3 . 27853 1 1671 . 1 1 132 132 PRO HG2 H 1 2.124 0.020 . 2 . . . . . 132 PRO HG2 . 27853 1 1672 . 1 1 132 132 PRO HG3 H 1 2.246 0.020 . 2 . . . . . 132 PRO HG3 . 27853 1 1673 . 1 1 132 132 PRO HD2 H 1 3.300 0.020 . 2 . . . . . 132 PRO HD2 . 27853 1 1674 . 1 1 132 132 PRO HD3 H 1 3.408 0.020 . 2 . . . . . 132 PRO HD3 . 27853 1 1675 . 1 1 132 132 PRO C C 13 178.949 0.3 . 1 . . . . . 132 PRO C . 27853 1 1676 . 1 1 132 132 PRO CA C 13 66.978 0.3 . 1 . . . . . 132 PRO CA . 27853 1 1677 . 1 1 132 132 PRO CB C 13 32.242 0.3 . 1 . . . . . 132 PRO CB . 27853 1 1678 . 1 1 132 132 PRO CG C 13 27.858 0.3 . 1 . . . . . 132 PRO CG . 27853 1 1679 . 1 1 132 132 PRO CD C 13 49.887 0.3 . 1 . . . . . 132 PRO CD . 27853 1 1680 . 1 1 133 133 GLN H H 1 8.945 0.020 . 1 . . . . . 133 GLN H . 27853 1 1681 . 1 1 133 133 GLN HA H 1 4.191 0.020 . 1 . . . . . 133 GLN HA . 27853 1 1682 . 1 1 133 133 GLN HB2 H 1 2.115 0.020 . 1 . . . . . 133 GLN HB2 . 27853 1 1683 . 1 1 133 133 GLN HB3 H 1 2.115 0.020 . 1 . . . . . 133 GLN HB3 . 27853 1 1684 . 1 1 133 133 GLN HG2 H 1 2.456 0.020 . 1 . . . . . 133 GLN HG2 . 27853 1 1685 . 1 1 133 133 GLN HG3 H 1 2.456 0.020 . 1 . . . . . 133 GLN HG3 . 27853 1 1686 . 1 1 133 133 GLN HE21 H 1 7.561 0.020 . 1 . . . . . 133 GLN HE21 . 27853 1 1687 . 1 1 133 133 GLN HE22 H 1 6.895 0.020 . 1 . . . . . 133 GLN HE22 . 27853 1 1688 . 1 1 133 133 GLN C C 13 178.148 0.3 . 1 . . . . . 133 GLN C . 27853 1 1689 . 1 1 133 133 GLN CA C 13 59.267 0.3 . 1 . . . . . 133 GLN CA . 27853 1 1690 . 1 1 133 133 GLN CB C 13 27.720 0.3 . 1 . . . . . 133 GLN CB . 27853 1 1691 . 1 1 133 133 GLN CG C 13 34.033 0.3 . 1 . . . . . 133 GLN CG . 27853 1 1692 . 1 1 133 133 GLN N N 15 116.186 0.3 . 1 . . . . . 133 GLN N . 27853 1 1693 . 1 1 133 133 GLN NE2 N 15 112.354 0.3 . 1 . . . . . 133 GLN NE2 . 27853 1 1694 . 1 1 134 134 ALA H H 1 6.936 0.020 . 1 . . . . . 134 ALA H . 27853 1 1695 . 1 1 134 134 ALA HA H 1 4.209 0.020 . 1 . . . . . 134 ALA HA . 27853 1 1696 . 1 1 134 134 ALA HB1 H 1 1.540 0.020 . 1 . . . . . 134 ALA HB . 27853 1 1697 . 1 1 134 134 ALA HB2 H 1 1.540 0.020 . 1 . . . . . 134 ALA HB . 27853 1 1698 . 1 1 134 134 ALA HB3 H 1 1.540 0.020 . 1 . . . . . 134 ALA HB . 27853 1 1699 . 1 1 134 134 ALA C C 13 180.666 0.3 . 1 . . . . . 134 ALA C . 27853 1 1700 . 1 1 134 134 ALA CA C 13 54.044 0.3 . 1 . . . . . 134 ALA CA . 27853 1 1701 . 1 1 134 134 ALA CB C 13 19.042 0.3 . 1 . . . . . 134 ALA CB . 27853 1 1702 . 1 1 134 134 ALA N N 15 122.957 0.3 . 1 . . . . . 134 ALA N . 27853 1 1703 . 1 1 135 135 TRP H H 1 9.064 0.020 . 1 . . . . . 135 TRP H . 27853 1 1704 . 1 1 135 135 TRP HA H 1 3.563 0.020 . 1 . . . . . 135 TRP HA . 27853 1 1705 . 1 1 135 135 TRP HB2 H 1 3.576 0.020 . 2 . . . . . 135 TRP HB2 . 27853 1 1706 . 1 1 135 135 TRP HB3 H 1 2.862 0.020 . 2 . . . . . 135 TRP HB3 . 27853 1 1707 . 1 1 135 135 TRP HD1 H 1 6.669 0.020 . 1 . . . . . 135 TRP HD1 . 27853 1 1708 . 1 1 135 135 TRP HE1 H 1 8.672 0.020 . 1 . . . . . 135 TRP HE1 . 27853 1 1709 . 1 1 135 135 TRP HE3 H 1 7.084 0.020 . 1 . . . . . 135 TRP HE3 . 27853 1 1710 . 1 1 135 135 TRP HZ2 H 1 7.174 0.020 . 1 . . . . . 135 TRP HZ2 . 27853 1 1711 . 1 1 135 135 TRP HZ3 H 1 7.374 0.020 . 1 . . . . . 135 TRP HZ3 . 27853 1 1712 . 1 1 135 135 TRP HH2 H 1 6.350 0.020 . 1 . . . . . 135 TRP HH2 . 27853 1 1713 . 1 1 135 135 TRP C C 13 177.157 0.3 . 1 . . . . . 135 TRP C . 27853 1 1714 . 1 1 135 135 TRP CA C 13 63.408 0.3 . 1 . . . . . 135 TRP CA . 27853 1 1715 . 1 1 135 135 TRP CB C 13 28.950 0.3 . 1 . . . . . 135 TRP CB . 27853 1 1716 . 1 1 135 135 TRP CD1 C 13 125.392 0.3 . 1 . . . . . 135 TRP CD1 . 27853 1 1717 . 1 1 135 135 TRP CE3 C 13 119.250 0.3 . 1 . . . . . 135 TRP CE3 . 27853 1 1718 . 1 1 135 135 TRP CZ2 C 13 114.766 0.3 . 1 . . . . . 135 TRP CZ2 . 27853 1 1719 . 1 1 135 135 TRP CZ3 C 13 120.535 0.3 . 1 . . . . . 135 TRP CZ3 . 27853 1 1720 . 1 1 135 135 TRP CH2 C 13 125.014 0.3 . 1 . . . . . 135 TRP CH2 . 27853 1 1721 . 1 1 135 135 TRP N N 15 121.160 0.3 . 1 . . . . . 135 TRP N . 27853 1 1722 . 1 1 135 135 TRP NE1 N 15 128.643 0.3 . 1 . . . . . 135 TRP NE1 . 27853 1 1723 . 1 1 136 136 GLU H H 1 8.562 0.020 . 1 . . . . . 136 GLU H . 27853 1 1724 . 1 1 136 136 GLU HA H 1 3.746 0.020 . 1 . . . . . 136 GLU HA . 27853 1 1725 . 1 1 136 136 GLU HB2 H 1 2.331 0.020 . 2 . . . . . 136 GLU HB2 . 27853 1 1726 . 1 1 136 136 GLU HB3 H 1 2.194 0.020 . 2 . . . . . 136 GLU HB3 . 27853 1 1727 . 1 1 136 136 GLU HG2 H 1 2.582 0.020 . 2 . . . . . 136 GLU HG2 . 27853 1 1728 . 1 1 136 136 GLU HG3 H 1 2.499 0.020 . 2 . . . . . 136 GLU HG3 . 27853 1 1729 . 1 1 136 136 GLU C C 13 178.418 0.3 . 1 . . . . . 136 GLU C . 27853 1 1730 . 1 1 136 136 GLU CA C 13 60.069 0.3 . 1 . . . . . 136 GLU CA . 27853 1 1731 . 1 1 136 136 GLU CB C 13 29.349 0.3 . 1 . . . . . 136 GLU CB . 27853 1 1732 . 1 1 136 136 GLU CG C 13 36.033 0.3 . 1 . . . . . 136 GLU CG . 27853 1 1733 . 1 1 136 136 GLU N N 15 118.615 0.3 . 1 . . . . . 136 GLU N . 27853 1 1734 . 1 1 137 137 GLU H H 1 7.304 0.020 . 1 . . . . . 137 GLU H . 27853 1 1735 . 1 1 137 137 GLU HA H 1 3.948 0.020 . 1 . . . . . 137 GLU HA . 27853 1 1736 . 1 1 137 137 GLU HB2 H 1 2.025 0.020 . 2 . . . . . 137 GLU HB2 . 27853 1 1737 . 1 1 137 137 GLU HB3 H 1 2.025 0.020 . 1 . . . . . 137 GLU HB3 . 27853 1 1738 . 1 1 137 137 GLU HG2 H 1 2.426 0.020 . 2 . . . . . 137 GLU HG2 . 27853 1 1739 . 1 1 137 137 GLU HG3 H 1 2.281 0.020 . 2 . . . . . 137 GLU HG3 . 27853 1 1740 . 1 1 137 137 GLU C C 13 178.558 0.3 . 1 . . . . . 137 GLU C . 27853 1 1741 . 1 1 137 137 GLU CA C 13 59.040 0.3 . 1 . . . . . 137 GLU CA . 27853 1 1742 . 1 1 137 137 GLU CB C 13 29.480 0.3 . 1 . . . . . 137 GLU CB . 27853 1 1743 . 1 1 137 137 GLU CG C 13 35.963 0.3 . 1 . . . . . 137 GLU CG . 27853 1 1744 . 1 1 137 137 GLU N N 15 117.325 0.3 . 1 . . . . . 137 GLU N . 27853 1 1745 . 1 1 138 138 LEU H H 1 7.111 0.020 . 1 . . . . . 138 LEU H . 27853 1 1746 . 1 1 138 138 LEU HA H 1 3.841 0.020 . 1 . . . . . 138 LEU HA . 27853 1 1747 . 1 1 138 138 LEU HB2 H 1 1.494 0.020 . 2 . . . . . 138 LEU HB2 . 27853 1 1748 . 1 1 138 138 LEU HB3 H 1 1.415 0.020 . 2 . . . . . 138 LEU HB3 . 27853 1 1749 . 1 1 138 138 LEU HG H 1 1.439 0.020 . 1 . . . . . 138 LEU HG . 27853 1 1750 . 1 1 138 138 LEU HD11 H 1 0.722 0.020 . 2 . . . . . 138 LEU HD1 . 27853 1 1751 . 1 1 138 138 LEU HD12 H 1 0.722 0.020 . 2 . . . . . 138 LEU HD1 . 27853 1 1752 . 1 1 138 138 LEU HD13 H 1 0.722 0.020 . 2 . . . . . 138 LEU HD1 . 27853 1 1753 . 1 1 138 138 LEU HD21 H 1 0.670 0.020 . 2 . . . . . 138 LEU HD2 . 27853 1 1754 . 1 1 138 138 LEU HD22 H 1 0.670 0.020 . 2 . . . . . 138 LEU HD2 . 27853 1 1755 . 1 1 138 138 LEU HD23 H 1 0.670 0.020 . 2 . . . . . 138 LEU HD2 . 27853 1 1756 . 1 1 138 138 LEU C C 13 177.881 0.3 . 1 . . . . . 138 LEU C . 27853 1 1757 . 1 1 138 138 LEU CA C 13 57.261 0.3 . 1 . . . . . 138 LEU CA . 27853 1 1758 . 1 1 138 138 LEU CB C 13 41.626 0.3 . 1 . . . . . 138 LEU CB . 27853 1 1759 . 1 1 138 138 LEU CG C 13 26.680 0.3 . 1 . . . . . 138 LEU CG . 27853 1 1760 . 1 1 138 138 LEU CD1 C 13 23.743 0.3 . 1 . . . . . 138 LEU CD1 . 27853 1 1761 . 1 1 138 138 LEU CD2 C 13 25.101 0.3 . 1 . . . . . 138 LEU CD2 . 27853 1 1762 . 1 1 138 138 LEU N N 15 119.027 0.3 . 1 . . . . . 138 LEU N . 27853 1 1763 . 1 1 139 139 PHE H H 1 8.514 0.020 . 1 . . . . . 139 PHE H . 27853 1 1764 . 1 1 139 139 PHE HA H 1 3.582 0.020 . 1 . . . . . 139 PHE HA . 27853 1 1765 . 1 1 139 139 PHE HB2 H 1 2.472 0.020 . 2 . . . . . 139 PHE HB2 . 27853 1 1766 . 1 1 139 139 PHE HB3 H 1 1.306 0.020 . 2 . . . . . 139 PHE HB3 . 27853 1 1767 . 1 1 139 139 PHE HD1 H 1 6.903 0.020 . 1 . . . . . 139 PHE HD1 . 27853 1 1768 . 1 1 139 139 PHE HD2 H 1 6.903 0.020 . 1 . . . . . 139 PHE HD2 . 27853 1 1769 . 1 1 139 139 PHE HE1 H 1 6.951 0.020 . 1 . . . . . 139 PHE HE1 . 27853 1 1770 . 1 1 139 139 PHE HE2 H 1 6.951 0.020 . 1 . . . . . 139 PHE HE2 . 27853 1 1771 . 1 1 139 139 PHE HZ H 1 7.214 0.020 . 1 . . . . . 139 PHE HZ . 27853 1 1772 . 1 1 139 139 PHE C C 13 176.489 0.3 . 1 . . . . . 139 PHE C . 27853 1 1773 . 1 1 139 139 PHE CA C 13 62.034 0.3 . 1 . . . . . 139 PHE CA . 27853 1 1774 . 1 1 139 139 PHE CB C 13 38.084 0.3 . 1 . . . . . 139 PHE CB . 27853 1 1775 . 1 1 139 139 PHE CD1 C 13 132.037 0.3 . 1 . . . . . 139 PHE CD1 . 27853 1 1776 . 1 1 139 139 PHE CD2 C 13 132.037 0.3 . 1 . . . . . 139 PHE CD2 . 27853 1 1777 . 1 1 139 139 PHE CE1 C 13 129.532 0.3 . 1 . . . . . 139 PHE CE1 . 27853 1 1778 . 1 1 139 139 PHE CE2 C 13 129.532 0.3 . 1 . . . . . 139 PHE CE2 . 27853 1 1779 . 1 1 139 139 PHE CZ C 13 130.188 0.3 . 1 . . . . . 139 PHE CZ . 27853 1 1780 . 1 1 139 139 PHE N N 15 120.780 0.3 . 1 . . . . . 139 PHE N . 27853 1 1781 . 1 1 140 140 ARG H H 1 7.811 0.020 . 1 . . . . . 140 ARG H . 27853 1 1782 . 1 1 140 140 ARG HA H 1 3.763 0.020 . 1 . . . . . 140 ARG HA . 27853 1 1783 . 1 1 140 140 ARG HB2 H 1 1.873 0.020 . 2 . . . . . 140 ARG HB2 . 27853 1 1784 . 1 1 140 140 ARG HB3 H 1 1.808 0.020 . 2 . . . . . 140 ARG HB3 . 27853 1 1785 . 1 1 140 140 ARG HG2 H 1 1.950 0.020 . 1 . . . . . 140 ARG HG2 . 27853 1 1786 . 1 1 140 140 ARG HG3 H 1 1.950 0.020 . 1 . . . . . 140 ARG HG3 . 27853 1 1787 . 1 1 140 140 ARG HD2 H 1 3.193 0.020 . 1 . . . . . 140 ARG HD2 . 27853 1 1788 . 1 1 140 140 ARG HD3 H 1 3.193 0.020 . 1 . . . . . 140 ARG HD3 . 27853 1 1789 . 1 1 140 140 ARG C C 13 177.849 0.3 . 1 . . . . . 140 ARG C . 27853 1 1790 . 1 1 140 140 ARG CA C 13 58.602 0.3 . 1 . . . . . 140 ARG CA . 27853 1 1791 . 1 1 140 140 ARG CB C 13 30.179 0.3 . 1 . . . . . 140 ARG CB . 27853 1 1792 . 1 1 140 140 ARG CG C 13 28.427 0.3 . 1 . . . . . 140 ARG CG . 27853 1 1793 . 1 1 140 140 ARG CD C 13 43.652 0.3 . 1 . . . . . 140 ARG CD . 27853 1 1794 . 1 1 140 140 ARG N N 15 115.708 0.3 . 1 . . . . . 140 ARG N . 27853 1 1795 . 1 1 141 141 ARG H H 1 7.138 0.020 . 1 . . . . . 141 ARG H . 27853 1 1796 . 1 1 141 141 ARG HA H 1 4.087 0.020 . 1 . . . . . 141 ARG HA . 27853 1 1797 . 1 1 141 141 ARG HB2 H 1 1.791 0.020 . 2 . . . . . 141 ARG HB2 . 27853 1 1798 . 1 1 141 141 ARG HB3 H 1 1.710 0.020 . 2 . . . . . 141 ARG HB3 . 27853 1 1799 . 1 1 141 141 ARG HG2 H 1 1.879 0.020 . 1 . . . . . 141 ARG HG2 . 27853 1 1800 . 1 1 141 141 ARG HG3 H 1 1.879 0.020 . 1 . . . . . 141 ARG HG3 . 27853 1 1801 . 1 1 141 141 ARG HD2 H 1 3.241 0.020 . 1 . . . . . 141 ARG HD2 . 27853 1 1802 . 1 1 141 141 ARG HD3 H 1 3.241 0.020 . 1 . . . . . 141 ARG HD3 . 27853 1 1803 . 1 1 141 141 ARG C C 13 177.255 0.3 . 1 . . . . . 141 ARG C . 27853 1 1804 . 1 1 141 141 ARG CA C 13 57.907 0.3 . 1 . . . . . 141 ARG CA . 27853 1 1805 . 1 1 141 141 ARG CB C 13 30.777 0.3 . 1 . . . . . 141 ARG CB . 27853 1 1806 . 1 1 141 141 ARG CG C 13 28.169 0.3 . 1 . . . . . 141 ARG CG . 27853 1 1807 . 1 1 141 141 ARG CD C 13 43.934 0.3 . 1 . . . . . 141 ARG CD . 27853 1 1808 . 1 1 141 141 ARG N N 15 115.183 0.3 . 1 . . . . . 141 ARG N . 27853 1 1809 . 1 1 142 142 ALA H H 1 7.926 0.020 . 1 . . . . . 142 ALA H . 27853 1 1810 . 1 1 142 142 ALA HA H 1 3.822 0.020 . 1 . . . . . 142 ALA HA . 27853 1 1811 . 1 1 142 142 ALA HB1 H 1 0.885 0.020 . 1 . . . . . 142 ALA HB . 27853 1 1812 . 1 1 142 142 ALA HB2 H 1 0.885 0.020 . 1 . . . . . 142 ALA HB . 27853 1 1813 . 1 1 142 142 ALA HB3 H 1 0.885 0.020 . 1 . . . . . 142 ALA HB . 27853 1 1814 . 1 1 142 142 ALA C C 13 176.395 0.3 . 1 . . . . . 142 ALA C . 27853 1 1815 . 1 1 142 142 ALA CA C 13 53.268 0.3 . 1 . . . . . 142 ALA CA . 27853 1 1816 . 1 1 142 142 ALA CB C 13 20.654 0.3 . 1 . . . . . 142 ALA CB . 27853 1 1817 . 1 1 142 142 ALA N N 15 121.187 0.3 . 1 . . . . . 142 ALA N . 27853 1 1818 . 1 1 143 143 TYR H H 1 7.653 0.020 . 1 . . . . . 143 TYR H . 27853 1 1819 . 1 1 143 143 TYR HA H 1 4.649 0.020 . 1 . . . . . 143 TYR HA . 27853 1 1820 . 1 1 143 143 TYR HB2 H 1 2.468 0.020 . 2 . . . . . 143 TYR HB2 . 27853 1 1821 . 1 1 143 143 TYR HB3 H 1 1.868 0.020 . 2 . . . . . 143 TYR HB3 . 27853 1 1822 . 1 1 143 143 TYR HD1 H 1 6.817 0.020 . 1 . . . . . 143 TYR HD1 . 27853 1 1823 . 1 1 143 143 TYR HD2 H 1 6.817 0.020 . 1 . . . . . 143 TYR HD2 . 27853 1 1824 . 1 1 143 143 TYR HE1 H 1 6.819 0.020 . 1 . . . . . 143 TYR HE1 . 27853 1 1825 . 1 1 143 143 TYR HE2 H 1 6.819 0.020 . 1 . . . . . 143 TYR HE2 . 27853 1 1826 . 1 1 143 143 TYR C C 13 172.782 0.3 . 1 . . . . . 143 TYR C . 27853 1 1827 . 1 1 143 143 TYR CA C 13 54.987 0.3 . 1 . . . . . 143 TYR CA . 27853 1 1828 . 1 1 143 143 TYR CB C 13 38.074 0.3 . 1 . . . . . 143 TYR CB . 27853 1 1829 . 1 1 143 143 TYR CD1 C 13 133.322 0.3 . 1 . . . . . 143 TYR CD1 . 27853 1 1830 . 1 1 143 143 TYR CD2 C 13 133.322 0.3 . 1 . . . . . 143 TYR CD2 . 27853 1 1831 . 1 1 143 143 TYR CE1 C 13 117.347 0.3 . 1 . . . . . 143 TYR CE1 . 27853 1 1832 . 1 1 143 143 TYR CE2 C 13 117.347 0.3 . 1 . . . . . 143 TYR CE2 . 27853 1 1833 . 1 1 143 143 TYR N N 15 113.917 0.3 . 1 . . . . . 143 TYR N . 27853 1 1834 . 1 1 144 144 PRO HA H 1 4.463 0.020 . 1 . . . . . 144 PRO HA . 27853 1 1835 . 1 1 144 144 PRO HB2 H 1 2.245 0.020 . 2 . . . . . 144 PRO HB2 . 27853 1 1836 . 1 1 144 144 PRO HB3 H 1 1.895 0.020 . 2 . . . . . 144 PRO HB3 . 27853 1 1837 . 1 1 144 144 PRO HG2 H 1 1.898 0.020 . 1 . . . . . 144 PRO HG2 . 27853 1 1838 . 1 1 144 144 PRO HG3 H 1 1.898 0.020 . 1 . . . . . 144 PRO HG3 . 27853 1 1839 . 1 1 144 144 PRO HD2 H 1 3.386 0.020 . 2 . . . . . 144 PRO HD2 . 27853 1 1840 . 1 1 144 144 PRO HD3 H 1 3.205 0.020 . 2 . . . . . 144 PRO HD3 . 27853 1 1841 . 1 1 144 144 PRO C C 13 177.281 0.3 . 1 . . . . . 144 PRO C . 27853 1 1842 . 1 1 144 144 PRO CA C 13 63.306 0.3 . 1 . . . . . 144 PRO CA . 27853 1 1843 . 1 1 144 144 PRO CB C 13 32.116 0.3 . 1 . . . . . 144 PRO CB . 27853 1 1844 . 1 1 144 144 PRO CG C 13 26.971 0.3 . 1 . . . . . 144 PRO CG . 27853 1 1845 . 1 1 144 144 PRO CD C 13 49.973 0.3 . 1 . . . . . 144 PRO CD . 27853 1 1846 . 1 1 145 145 GLN H H 1 8.363 0.020 . 1 . . . . . 145 GLN H . 27853 1 1847 . 1 1 145 145 GLN HA H 1 4.313 0.020 . 1 . . . . . 145 GLN HA . 27853 1 1848 . 1 1 145 145 GLN HB2 H 1 2.075 0.020 . 2 . . . . . 145 GLN HB2 . 27853 1 1849 . 1 1 145 145 GLN HB3 H 1 2.075 0.020 . 1 . . . . . 145 GLN HB3 . 27853 1 1850 . 1 1 145 145 GLN HG2 H 1 2.376 0.020 . 1 . . . . . 145 GLN HG2 . 27853 1 1851 . 1 1 145 145 GLN HG3 H 1 2.376 0.020 . 1 . . . . . 145 GLN HG3 . 27853 1 1852 . 1 1 145 145 GLN HE21 H 1 7.527 0.020 . 1 . . . . . 145 GLN HE21 . 27853 1 1853 . 1 1 145 145 GLN HE22 H 1 6.736 0.020 . 1 . . . . . 145 GLN HE22 . 27853 1 1854 . 1 1 145 145 GLN C C 13 174.797 0.3 . 1 . . . . . 145 GLN C . 27853 1 1855 . 1 1 145 145 GLN CA C 13 55.906 0.3 . 1 . . . . . 145 GLN CA . 27853 1 1856 . 1 1 145 145 GLN CB C 13 30.073 0.3 . 1 . . . . . 145 GLN CB . 27853 1 1857 . 1 1 145 145 GLN CG C 13 33.927 0.3 . 1 . . . . . 145 GLN CG . 27853 1 1858 . 1 1 145 145 GLN N N 15 121.007 0.3 . 1 . . . . . 145 GLN N . 27853 1 1859 . 1 1 145 145 GLN NE2 N 15 112.066 0.3 . 1 . . . . . 145 GLN NE2 . 27853 1 1860 . 1 1 146 146 LYS H H 1 7.863 0.020 . 1 . . . . . 146 LYS H . 27853 1 1861 . 1 1 146 146 LYS HA H 1 4.159 0.020 . 1 . . . . . 146 LYS HA . 27853 1 1862 . 1 1 146 146 LYS HB2 H 1 1.807 0.020 . 2 . . . . . 146 LYS HB2 . 27853 1 1863 . 1 1 146 146 LYS HB3 H 1 1.700 0.020 . 2 . . . . . 146 LYS HB3 . 27853 1 1864 . 1 1 146 146 LYS HG2 H 1 1.383 0.020 . 1 . . . . . 146 LYS HG2 . 27853 1 1865 . 1 1 146 146 LYS HG3 H 1 1.383 0.020 . 1 . . . . . 146 LYS HG3 . 27853 1 1866 . 1 1 146 146 LYS HD2 H 1 1.704 0.020 . 1 . . . . . 146 LYS HD2 . 27853 1 1867 . 1 1 146 146 LYS HD3 H 1 1.704 0.020 . 1 . . . . . 146 LYS HD3 . 27853 1 1868 . 1 1 146 146 LYS HE2 H 1 2.980 0.020 . 1 . . . . . 146 LYS HE2 . 27853 1 1869 . 1 1 146 146 LYS HE3 H 1 2.980 0.020 . 1 . . . . . 146 LYS HE3 . 27853 1 1870 . 1 1 146 146 LYS C C 13 180.958 0.3 . 1 . . . . . 146 LYS C . 27853 1 1871 . 1 1 146 146 LYS CA C 13 57.744 0.3 . 1 . . . . . 146 LYS CA . 27853 1 1872 . 1 1 146 146 LYS CB C 13 33.727 0.3 . 1 . . . . . 146 LYS CB . 27853 1 1873 . 1 1 146 146 LYS CG C 13 24.625 0.3 . 1 . . . . . 146 LYS CG . 27853 1 1874 . 1 1 146 146 LYS CD C 13 29.038 0.3 . 1 . . . . . 146 LYS CD . 27853 1 1875 . 1 1 146 146 LYS CE C 13 42.097 0.3 . 1 . . . . . 146 LYS CE . 27853 1 1876 . 1 1 146 146 LYS N N 15 128.239 0.3 . 1 . . . . . 146 LYS N . 27853 1 stop_ save_