data_34496 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34496 _Entry.Title ; Ca2+-bound Calmodulin mutant N53I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-06 _Entry.Accession_date 2020-03-06 _Entry.Last_release_date 2020-04-23 _Entry.Original_release_date 2020-04-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 C. Holt C. . . . 34496 2 L. Nielsen L. H. . . 34496 3 K. Lau K. . . . 34496 4 M. Brohus M. . . . 34496 5 A. Sorensen A. B. . . 34496 6 K. Larsen K. T. . . 34496 7 C. Sommer C. . . . 34496 8 F. Petegem F. V. . . 34496 9 M. Overgaard M. T. . . 34496 10 R. Wimmer R. . . . 34496 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CPVT . 34496 'METAL BINDING PROTEIN' . 34496 Mutant . 34496 metal-binding . 34496 'signaling protein' . 34496 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34496 heteronucl_NOEs 1 34496 heteronucl_T1_relaxation 1 34496 heteronucl_T2_relaxation 1 34496 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 631 34496 '15N chemical shifts' 157 34496 '1H chemical shifts' 992 34496 'T1 relaxation values' 141 34496 'T2 relaxation values' 143 34496 'heteronuclear NOE values' 143 34496 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 . . 2020-04-27 . original BMRB . 34496 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Y94 'BMRB Entry Tracking System' 34496 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34496 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32317284 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-domain, altering its interaction with the cardiac ryanodine receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JBCHA3 _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0071 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2020 _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 C. Holt C. . . . 34496 1 2 L. Hamborg L. . . . 34496 1 3 K. Lau K. . . . 34496 1 4 M. Brohus M. . . . 34496 1 5 A. Sorensen A. B. . . 34496 1 6 K. Larsen K. T. . . 34496 1 7 C. Sommer C. . . . 34496 1 8 F. Petegem F. V. . . 34496 1 9 M. Overgaard M. T. . . 34496 1 10 R. Wimmer R. . . . 34496 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34496 _Assembly.ID 1 _Assembly.Name Calmodulin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34496 1 2 unit_2 2 $entity_CA B A no . . . . . . 34496 1 3 unit_3 2 $entity_CA C A no . . . . . . 34496 1 4 unit_4 2 $entity_CA D A no . . . . . . 34496 1 5 unit_5 2 $entity_CA E A no . . . . . . 34496 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34496 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMIIEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation N53I _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16720.404 _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 . ALA . 34496 1 2 . ASP . 34496 1 3 . GLN . 34496 1 4 . LEU . 34496 1 5 . THR . 34496 1 6 . GLU . 34496 1 7 . GLU . 34496 1 8 . GLN . 34496 1 9 . ILE . 34496 1 10 . ALA . 34496 1 11 . GLU . 34496 1 12 . PHE . 34496 1 13 . LYS . 34496 1 14 . GLU . 34496 1 15 . ALA . 34496 1 16 . PHE . 34496 1 17 . SER . 34496 1 18 . LEU . 34496 1 19 . PHE . 34496 1 20 . ASP . 34496 1 21 . LYS . 34496 1 22 . ASP . 34496 1 23 . GLY . 34496 1 24 . ASP . 34496 1 25 . GLY . 34496 1 26 . THR . 34496 1 27 . ILE . 34496 1 28 . THR . 34496 1 29 . THR . 34496 1 30 . LYS . 34496 1 31 . GLU . 34496 1 32 . LEU . 34496 1 33 . GLY . 34496 1 34 . THR . 34496 1 35 . VAL . 34496 1 36 . MET . 34496 1 37 . ARG . 34496 1 38 . SER . 34496 1 39 . LEU . 34496 1 40 . GLY . 34496 1 41 . GLN . 34496 1 42 . ASN . 34496 1 43 . PRO . 34496 1 44 . THR . 34496 1 45 . GLU . 34496 1 46 . ALA . 34496 1 47 . GLU . 34496 1 48 . LEU . 34496 1 49 . GLN . 34496 1 50 . ASP . 34496 1 51 . MET . 34496 1 52 . ILE . 34496 1 53 . ILE . 34496 1 54 . GLU . 34496 1 55 . VAL . 34496 1 56 . ASP . 34496 1 57 . ALA . 34496 1 58 . ASP . 34496 1 59 . GLY . 34496 1 60 . ASN . 34496 1 61 . GLY . 34496 1 62 . THR . 34496 1 63 . ILE . 34496 1 64 . ASP . 34496 1 65 . PHE . 34496 1 66 . PRO . 34496 1 67 . GLU . 34496 1 68 . PHE . 34496 1 69 . LEU . 34496 1 70 . THR . 34496 1 71 . MET . 34496 1 72 . MET . 34496 1 73 . ALA . 34496 1 74 . ARG . 34496 1 75 . LYS . 34496 1 76 . MET . 34496 1 77 . LYS . 34496 1 78 . ASP . 34496 1 79 . THR . 34496 1 80 . ASP . 34496 1 81 . SER . 34496 1 82 . GLU . 34496 1 83 . GLU . 34496 1 84 . GLU . 34496 1 85 . ILE . 34496 1 86 . ARG . 34496 1 87 . GLU . 34496 1 88 . ALA . 34496 1 89 . PHE . 34496 1 90 . ARG . 34496 1 91 . VAL . 34496 1 92 . PHE . 34496 1 93 . ASP . 34496 1 94 . LYS . 34496 1 95 . ASP . 34496 1 96 . GLY . 34496 1 97 . ASN . 34496 1 98 . GLY . 34496 1 99 . TYR . 34496 1 100 . ILE . 34496 1 101 . SER . 34496 1 102 . ALA . 34496 1 103 . ALA . 34496 1 104 . GLU . 34496 1 105 . LEU . 34496 1 106 . ARG . 34496 1 107 . HIS . 34496 1 108 . VAL . 34496 1 109 . MET . 34496 1 110 . THR . 34496 1 111 . ASN . 34496 1 112 . LEU . 34496 1 113 . GLY . 34496 1 114 . GLU . 34496 1 115 . LYS . 34496 1 116 . LEU . 34496 1 117 . THR . 34496 1 118 . ASP . 34496 1 119 . GLU . 34496 1 120 . GLU . 34496 1 121 . VAL . 34496 1 122 . ASP . 34496 1 123 . GLU . 34496 1 124 . MET . 34496 1 125 . ILE . 34496 1 126 . ARG . 34496 1 127 . GLU . 34496 1 128 . ALA . 34496 1 129 . ASP . 34496 1 130 . ILE . 34496 1 131 . ASP . 34496 1 132 . GLY . 34496 1 133 . ASP . 34496 1 134 . GLY . 34496 1 135 . GLN . 34496 1 136 . VAL . 34496 1 137 . ASN . 34496 1 138 . TYR . 34496 1 139 . GLU . 34496 1 140 . GLU . 34496 1 141 . PHE . 34496 1 142 . VAL . 34496 1 143 . GLN . 34496 1 144 . MET . 34496 1 145 . MET . 34496 1 146 . THR . 34496 1 147 . ALA . 34496 1 148 . LYS . 34496 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 . ALA 1 1 34496 1 . ASP 2 2 34496 1 . GLN 3 3 34496 1 . LEU 4 4 34496 1 . THR 5 5 34496 1 . GLU 6 6 34496 1 . GLU 7 7 34496 1 . GLN 8 8 34496 1 . ILE 9 9 34496 1 . ALA 10 10 34496 1 . GLU 11 11 34496 1 . PHE 12 12 34496 1 . LYS 13 13 34496 1 . GLU 14 14 34496 1 . ALA 15 15 34496 1 . PHE 16 16 34496 1 . SER 17 17 34496 1 . LEU 18 18 34496 1 . PHE 19 19 34496 1 . ASP 20 20 34496 1 . LYS 21 21 34496 1 . ASP 22 22 34496 1 . GLY 23 23 34496 1 . ASP 24 24 34496 1 . GLY 25 25 34496 1 . THR 26 26 34496 1 . ILE 27 27 34496 1 . THR 28 28 34496 1 . THR 29 29 34496 1 . LYS 30 30 34496 1 . GLU 31 31 34496 1 . LEU 32 32 34496 1 . GLY 33 33 34496 1 . THR 34 34 34496 1 . VAL 35 35 34496 1 . MET 36 36 34496 1 . ARG 37 37 34496 1 . SER 38 38 34496 1 . LEU 39 39 34496 1 . GLY 40 40 34496 1 . GLN 41 41 34496 1 . ASN 42 42 34496 1 . PRO 43 43 34496 1 . THR 44 44 34496 1 . GLU 45 45 34496 1 . ALA 46 46 34496 1 . GLU 47 47 34496 1 . LEU 48 48 34496 1 . GLN 49 49 34496 1 . ASP 50 50 34496 1 . MET 51 51 34496 1 . ILE 52 52 34496 1 . ILE 53 53 34496 1 . GLU 54 54 34496 1 . VAL 55 55 34496 1 . ASP 56 56 34496 1 . ALA 57 57 34496 1 . ASP 58 58 34496 1 . GLY 59 59 34496 1 . ASN 60 60 34496 1 . GLY 61 61 34496 1 . THR 62 62 34496 1 . ILE 63 63 34496 1 . ASP 64 64 34496 1 . PHE 65 65 34496 1 . PRO 66 66 34496 1 . GLU 67 67 34496 1 . PHE 68 68 34496 1 . LEU 69 69 34496 1 . THR 70 70 34496 1 . MET 71 71 34496 1 . MET 72 72 34496 1 . ALA 73 73 34496 1 . ARG 74 74 34496 1 . LYS 75 75 34496 1 . MET 76 76 34496 1 . LYS 77 77 34496 1 . ASP 78 78 34496 1 . THR 79 79 34496 1 . ASP 80 80 34496 1 . SER 81 81 34496 1 . GLU 82 82 34496 1 . GLU 83 83 34496 1 . GLU 84 84 34496 1 . ILE 85 85 34496 1 . ARG 86 86 34496 1 . GLU 87 87 34496 1 . ALA 88 88 34496 1 . PHE 89 89 34496 1 . ARG 90 90 34496 1 . VAL 91 91 34496 1 . PHE 92 92 34496 1 . ASP 93 93 34496 1 . LYS 94 94 34496 1 . ASP 95 95 34496 1 . GLY 96 96 34496 1 . ASN 97 97 34496 1 . GLY 98 98 34496 1 . TYR 99 99 34496 1 . ILE 100 100 34496 1 . SER 101 101 34496 1 . ALA 102 102 34496 1 . ALA 103 103 34496 1 . GLU 104 104 34496 1 . LEU 105 105 34496 1 . ARG 106 106 34496 1 . HIS 107 107 34496 1 . VAL 108 108 34496 1 . MET 109 109 34496 1 . THR 110 110 34496 1 . ASN 111 111 34496 1 . LEU 112 112 34496 1 . GLY 113 113 34496 1 . GLU 114 114 34496 1 . LYS 115 115 34496 1 . LEU 116 116 34496 1 . THR 117 117 34496 1 . ASP 118 118 34496 1 . GLU 119 119 34496 1 . GLU 120 120 34496 1 . VAL 121 121 34496 1 . ASP 122 122 34496 1 . GLU 123 123 34496 1 . MET 124 124 34496 1 . ILE 125 125 34496 1 . ARG 126 126 34496 1 . GLU 127 127 34496 1 . ALA 128 128 34496 1 . ASP 129 129 34496 1 . ILE 130 130 34496 1 . ASP 131 131 34496 1 . GLY 132 132 34496 1 . ASP 133 133 34496 1 . GLY 134 134 34496 1 . GLN 135 135 34496 1 . VAL 136 136 34496 1 . ASN 137 137 34496 1 . TYR 138 138 34496 1 . GLU 139 139 34496 1 . GLU 140 140 34496 1 . PHE 141 141 34496 1 . VAL 142 142 34496 1 . GLN 143 143 34496 1 . MET 144 144 34496 1 . MET 145 145 34496 1 . THR 146 146 34496 1 . ALA 147 147 34496 1 . LYS 148 148 34496 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34496 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 40.078 _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 'CALCIUM ION' BMRB 34496 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 34496 2 CA 'Three letter code' 34496 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 CA $chem_comp_CA 34496 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 34496 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CALM1, CALM, CAM, CAM1' . 34496 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 34496 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . 'Rosetta 2' . . . . . . . . 34496 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 34496 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _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 CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 34496 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34496 CA [Ca++] SMILES CACTVS 3.341 34496 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34496 CA [Ca+2] SMILES ACDLabs 10.04 34496 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34496 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34496 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 34496 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34496 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34496 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34496 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.56 mM [U-99% 13C; U-99% 15N] Calmodulin N53I, 2 mM HEPES, 100 mM potassium chloride, 10 mM calcium chloride, 50 mM sodium acetate, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Calmodulin N53I' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.56 . . mM . . . . 34496 1 2 HEPES 'natural abundance' . . . . . . 2 . . mM . . . . 34496 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34496 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34496 1 5 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 34496 1 6 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 34496 1 7 TSP 'natural abundance' . . . . . . 0.05 . . mM . . . . 34496 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34496 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-99% 15N] Calmodulin N53I, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Calmodulin N53I' '[U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34496 2 2 HEPES 'natural abundance' . . . . . . 2 . . mM . . . . 34496 2 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34496 2 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34496 2 5 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 34496 2 6 TSP 'natural abundance' . . . . . . 0.05 . . mM . . . . 34496 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34496 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-99% 13C; U-99% 15N] Calmodulin, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34496 3 2 HEPES 'natural abundance' . . . . . . 2 . . mM . . . . 34496 3 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34496 3 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34496 3 5 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 34496 3 6 TSP 'natural abundance' . . . . . . 0.05 . . mM . . . . 34496 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34496 _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 'ionic strength' 182 . mM 34496 1 pH 6.57 0.05 pH 34496 1 pressure 1 . atm 34496 1 temperature 298.1 . K 34496 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34496 _Sample_condition_list.ID 2 _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 'ionic strength' 42 . mM 34496 2 pH 6.57 0.05 pH 34496 2 pressure 1 . atm 34496 2 temperature 298.1 . K 34496 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34496 _Sample_condition_list.ID 3 _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 'ionic strength' 42 . mM 34496 3 pH 6.57 0.05 pH 34496 3 pressure 1 . atm 34496 3 temperature 298.1 . K 34496 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34496 _Software.ID 1 _Software.Type . _Software.Name YASARA _Software.Version 14.12.2 _Software.DOI . _Software.Details ; YASARA Biosciences GmbH Dr. Elmar Krieger Wagramer Strasse 25/3/45 1220 Vienna Austria / Europe ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'YASARA Biosciences GmbH' . . 34496 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34496 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34496 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34496 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34496 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34496 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version TALOS+ _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34496 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34496 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34496 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34496 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34496 4 . 'peak picking' 34496 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34496 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34496 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34496 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34496 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34496 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34496 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34496 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 900 . . . 34496 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 34496 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 6 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 7 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 13 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34496 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34496 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34496 1 17 '{1H}-15N NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 18 15N-T2 no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 19 15N-T1 no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 20 'T2 relaxation dispersion' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 21 15N-T1 no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 22 15N-T2 no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 23 '{1H}-15N NOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 24 'T2 relaxation dispersion' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 25 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34496 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34496 _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 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34496 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34496 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34496 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34496 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34496 1 2 '2D 1H-13C HSQC aliphatic' . . . 34496 1 3 '2D 1H-13C HSQC aromatic' . . . 34496 1 4 '3D 1H-15N TOCSY' . . . 34496 1 5 '3D CBCA(CO)NH' . . . 34496 1 6 '2D (HB)CB(CGCDCE)HE' . . . 34496 1 7 '2D (HB)CB(CGCD)HD' . . . 34496 1 8 '3D HN(CA)CO' . . . 34496 1 9 '3D HNCO' . . . 34496 1 10 '3D HNCA' . . . 34496 1 11 '3D HCCH-TOCSY' . . . 34496 1 12 '3D HBHA(CO)NH' . . . 34496 1 13 '3D HNCACB' . . . 34496 1 14 '3D 1H-13C NOESY aromatic' . . . 34496 1 15 '3D 1H-13C NOESY aliphatic' . . . 34496 1 16 '3D 1H-15N NOESY' . . . 34496 1 17 '{1H}-15N NOE' . . . 34496 1 18 15N-T2 . . . 34496 1 19 15N-T1 . . . 34496 1 20 'T2 relaxation dispersion' . . . 34496 1 21 15N-T1 . . . 34496 1 22 15N-T2 . . . 34496 1 23 '{1H}-15N NOE' . . . 34496 1 24 'T2 relaxation dispersion' . . . 34496 1 25 '3D HCCH-TOCSY' . . . 34496 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 ALA H H 1 8.491 0.020 . 1 . . . . A 1 ALA H1 . 34496 1 2 . 1 . 1 1 1 ALA HA H 1 4.065 0.020 . 1 . . . . A 1 ALA HA . 34496 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.522 0.020 . 1 . . . . A 1 ALA HB1 . 34496 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.522 0.020 . 1 . . . . A 1 ALA HB2 . 34496 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.522 0.020 . 1 . . . . A 1 ALA HB3 . 34496 1 6 . 1 . 1 1 1 ALA C C 13 174.832 0.3 . 1 . . . . A 1 ALA C . 34496 1 7 . 1 . 1 1 1 ALA CA C 13 51.980 0.3 . 1 . . . . A 1 ALA CA . 34496 1 8 . 1 . 1 1 1 ALA CB C 13 19.609 0.3 . 1 . . . . A 1 ALA CB . 34496 1 9 . 1 . 1 1 1 ALA N N 15 124.544 0.3 . 1 . . . . A 1 ALA N . 34496 1 10 . 1 . 1 2 2 ASP H H 1 8.322 0.020 . 1 . . . . A 2 ASP H . 34496 1 11 . 1 . 1 2 2 ASP HA H 1 4.647 0.020 . 1 . . . . A 2 ASP HA . 34496 1 12 . 1 . 1 2 2 ASP HB2 H 1 2.715 0.020 . 2 . . . . A 2 ASP HB2 . 34496 1 13 . 1 . 1 2 2 ASP HB3 H 1 2.590 0.020 . 2 . . . . A 2 ASP HB3 . 34496 1 14 . 1 . 1 2 2 ASP C C 13 175.705 0.3 . 1 . . . . A 2 ASP C . 34496 1 15 . 1 . 1 2 2 ASP CA C 13 54.686 0.3 . 1 . . . . A 2 ASP CA . 34496 1 16 . 1 . 1 2 2 ASP CB C 13 41.370 0.3 . 1 . . . . A 2 ASP CB . 34496 1 17 . 1 . 1 2 2 ASP N N 15 118.716 0.3 . 1 . . . . A 2 ASP N . 34496 1 18 . 1 . 1 3 3 GLN H H 1 8.311 0.020 . 1 . . . . A 3 GLN H . 34496 1 19 . 1 . 1 3 3 GLN HA H 1 4.406 0.020 . 1 . . . . A 3 GLN HA . 34496 1 20 . 1 . 1 3 3 GLN HB2 H 1 2.000 0.020 . 2 . . . . A 3 GLN HB2 . 34496 1 21 . 1 . 1 3 3 GLN HB3 H 1 2.126 0.020 . 2 . . . . A 3 GLN HB3 . 34496 1 22 . 1 . 1 3 3 GLN HG2 H 1 2.374 0.020 . 1 . . . . A 3 GLN HG2 . 34496 1 23 . 1 . 1 3 3 GLN HE21 H 1 7.418 0.020 . 1 . . . . A 3 GLN HE21 . 34496 1 24 . 1 . 1 3 3 GLN HE22 H 1 6.849 0.020 . 1 . . . . A 3 GLN HE22 . 34496 1 25 . 1 . 1 3 3 GLN C C 13 175.676 0.3 . 1 . . . . A 3 GLN C . 34496 1 26 . 1 . 1 3 3 GLN CA C 13 55.448 0.3 . 1 . . . . A 3 GLN CA . 34496 1 27 . 1 . 1 3 3 GLN CB C 13 29.806 0.3 . 1 . . . . A 3 GLN CB . 34496 1 28 . 1 . 1 3 3 GLN CG C 13 33.709 0.3 . 1 . . . . A 3 GLN CG . 34496 1 29 . 1 . 1 3 3 GLN N N 15 120.824 0.3 . 1 . . . . A 3 GLN N . 34496 1 30 . 1 . 1 3 3 GLN NE2 N 15 113.066 0.3 . 1 . . . . A 3 GLN NE2 . 34496 1 31 . 1 . 1 4 4 LEU H H 1 8.253 0.020 . 1 . . . . A 4 LEU H . 34496 1 32 . 1 . 1 4 4 LEU HA H 1 4.701 0.020 . 1 . . . . A 4 LEU HA . 34496 1 33 . 1 . 1 4 4 LEU HB2 H 1 1.758 0.020 . 2 . . . . A 4 LEU HB2 . 34496 1 34 . 1 . 1 4 4 LEU HB3 H 1 1.540 0.020 . 2 . . . . A 4 LEU HB3 . 34496 1 35 . 1 . 1 4 4 LEU HG H 1 1.745 0.020 . 1 . . . . A 4 LEU HG . 34496 1 36 . 1 . 1 4 4 LEU HD11 H 1 0.966 0.020 . 1 . . . . A 4 LEU HD11 . 34496 1 37 . 1 . 1 4 4 LEU HD12 H 1 0.966 0.020 . 1 . . . . A 4 LEU HD12 . 34496 1 38 . 1 . 1 4 4 LEU HD13 H 1 0.966 0.020 . 1 . . . . A 4 LEU HD13 . 34496 1 39 . 1 . 1 4 4 LEU HD21 H 1 0.944 0.020 . 1 . . . . A 4 LEU HD21 . 34496 1 40 . 1 . 1 4 4 LEU HD22 H 1 0.944 0.020 . 1 . . . . A 4 LEU HD22 . 34496 1 41 . 1 . 1 4 4 LEU HD23 H 1 0.944 0.020 . 1 . . . . A 4 LEU HD23 . 34496 1 42 . 1 . 1 4 4 LEU C C 13 177.647 0.3 . 1 . . . . A 4 LEU C . 34496 1 43 . 1 . 1 4 4 LEU CA C 13 54.391 0.3 . 1 . . . . A 4 LEU CA . 34496 1 44 . 1 . 1 4 4 LEU CB C 13 43.544 0.3 . 1 . . . . A 4 LEU CB . 34496 1 45 . 1 . 1 4 4 LEU CG C 13 26.784 0.3 . 1 . . . . A 4 LEU CG . 34496 1 46 . 1 . 1 4 4 LEU CD1 C 13 26.739 0.3 . 1 . . . . A 4 LEU CD1 . 34496 1 47 . 1 . 1 4 4 LEU CD2 C 13 23.733 0.3 . 1 . . . . A 4 LEU CD2 . 34496 1 48 . 1 . 1 4 4 LEU N N 15 124.164 0.3 . 1 . . . . A 4 LEU N . 34496 1 49 . 1 . 1 5 5 THR H H 1 8.693 0.020 . 1 . . . . A 5 THR H . 34496 1 50 . 1 . 1 5 5 THR HA H 1 4.498 0.020 . 1 . . . . A 5 THR HA . 34496 1 51 . 1 . 1 5 5 THR HB H 1 4.799 0.020 . 1 . . . . A 5 THR HB . 34496 1 52 . 1 . 1 5 5 THR HG21 H 1 1.364 0.020 . 1 . . . . A 5 THR HG21 . 34496 1 53 . 1 . 1 5 5 THR HG22 H 1 1.364 0.020 . 1 . . . . A 5 THR HG22 . 34496 1 54 . 1 . 1 5 5 THR HG23 H 1 1.364 0.020 . 1 . . . . A 5 THR HG23 . 34496 1 55 . 1 . 1 5 5 THR C C 13 175.555 0.3 . 1 . . . . A 5 THR C . 34496 1 56 . 1 . 1 5 5 THR CA C 13 60.344 0.3 . 1 . . . . A 5 THR CA . 34496 1 57 . 1 . 1 5 5 THR CB C 13 71.178 0.3 . 1 . . . . A 5 THR CB . 34496 1 58 . 1 . 1 5 5 THR CG2 C 13 21.522 0.3 . 1 . . . . A 5 THR CG2 . 34496 1 59 . 1 . 1 5 5 THR N N 15 114.208 0.3 . 1 . . . . A 5 THR N . 34496 1 60 . 1 . 1 6 6 GLU H H 1 9.018 0.020 . 1 . . . . A 6 GLU H . 34496 1 61 . 1 . 1 6 6 GLU HA H 1 4.004 0.020 . 1 . . . . A 6 GLU HA . 34496 1 62 . 1 . 1 6 6 GLU HB2 H 1 2.084 0.020 . 1 . . . . A 6 GLU HB2 . 34496 1 63 . 1 . 1 6 6 GLU HB3 H 1 2.084 0.020 . 1 . . . . A 6 GLU HB3 . 34496 1 64 . 1 . 1 6 6 GLU HG2 H 1 2.366 0.020 . 2 . . . . A 6 GLU HG2 . 34496 1 65 . 1 . 1 6 6 GLU HG3 H 1 2.426 0.020 . 2 . . . . A 6 GLU HG3 . 34496 1 66 . 1 . 1 6 6 GLU C C 13 179.478 0.3 . 1 . . . . A 6 GLU C . 34496 1 67 . 1 . 1 6 6 GLU CA C 13 60.035 0.3 . 1 . . . . A 6 GLU CA . 34496 1 68 . 1 . 1 6 6 GLU CB C 13 29.080 0.3 . 1 . . . . A 6 GLU CB . 34496 1 69 . 1 . 1 6 6 GLU CG C 13 36.547 0.3 . 1 . . . . A 6 GLU CG . 34496 1 70 . 1 . 1 6 6 GLU N N 15 121.739 0.3 . 1 . . . . A 6 GLU N . 34496 1 71 . 1 . 1 7 7 GLU H H 1 8.732 0.020 . 1 . . . . A 7 GLU H . 34496 1 72 . 1 . 1 7 7 GLU HA H 1 4.092 0.020 . 1 . . . . A 7 GLU HA . 34496 1 73 . 1 . 1 7 7 GLU HB2 H 1 2.083 0.020 . 2 . . . . A 7 GLU HB2 . 34496 1 74 . 1 . 1 7 7 GLU HB3 H 1 1.975 0.020 . 2 . . . . A 7 GLU HB3 . 34496 1 75 . 1 . 1 7 7 GLU HG2 H 1 2.394 0.020 . 2 . . . . A 7 GLU HG2 . 34496 1 76 . 1 . 1 7 7 GLU HG3 H 1 2.310 0.020 . 2 . . . . A 7 GLU HG3 . 34496 1 77 . 1 . 1 7 7 GLU C C 13 179.166 0.3 . 1 . . . . A 7 GLU C . 34496 1 78 . 1 . 1 7 7 GLU CA C 13 59.958 0.3 . 1 . . . . A 7 GLU CA . 34496 1 79 . 1 . 1 7 7 GLU CB C 13 29.100 0.3 . 1 . . . . A 7 GLU CB . 34496 1 80 . 1 . 1 7 7 GLU CG C 13 36.782 0.3 . 1 . . . . A 7 GLU CG . 34496 1 81 . 1 . 1 7 7 GLU N N 15 120.666 0.3 . 1 . . . . A 7 GLU N . 34496 1 82 . 1 . 1 8 8 GLN H H 1 7.745 0.020 . 1 . . . . A 8 GLN H . 34496 1 83 . 1 . 1 8 8 GLN HA H 1 3.906 0.020 . 1 . . . . A 8 GLN HA . 34496 1 84 . 1 . 1 8 8 GLN HB2 H 1 2.389 0.020 . 2 . . . . A 8 GLN HB2 . 34496 1 85 . 1 . 1 8 8 GLN HB3 H 1 1.725 0.020 . 2 . . . . A 8 GLN HB3 . 34496 1 86 . 1 . 1 8 8 GLN HG2 H 1 2.325 0.020 . 2 . . . . A 8 GLN HG2 . 34496 1 87 . 1 . 1 8 8 GLN HG3 H 1 2.371 0.020 . 2 . . . . A 8 GLN HG3 . 34496 1 88 . 1 . 1 8 8 GLN HE21 H 1 7.450 0.020 . 1 . . . . A 8 GLN HE21 . 34496 1 89 . 1 . 1 8 8 GLN HE22 H 1 6.765 0.020 . 1 . . . . A 8 GLN HE22 . 34496 1 90 . 1 . 1 8 8 GLN C C 13 178.309 0.3 . 1 . . . . A 8 GLN C . 34496 1 91 . 1 . 1 8 8 GLN CA C 13 58.673 0.3 . 1 . . . . A 8 GLN CA . 34496 1 92 . 1 . 1 8 8 GLN CB C 13 29.277 0.3 . 1 . . . . A 8 GLN CB . 34496 1 93 . 1 . 1 8 8 GLN CG C 13 34.894 0.3 . 1 . . . . A 8 GLN CG . 34496 1 94 . 1 . 1 8 8 GLN N N 15 121.453 0.3 . 1 . . . . A 8 GLN N . 34496 1 95 . 1 . 1 8 8 GLN NE2 N 15 112.937 0.3 . 1 . . . . A 8 GLN NE2 . 34496 1 96 . 1 . 1 9 9 ILE H H 1 8.387 0.020 . 1 . . . . A 9 ILE H . 34496 1 97 . 1 . 1 9 9 ILE HA H 1 3.734 0.020 . 1 . . . . A 9 ILE HA . 34496 1 98 . 1 . 1 9 9 ILE HB H 1 1.983 0.020 . 1 . . . . A 9 ILE HB . 34496 1 99 . 1 . 1 9 9 ILE HG12 H 1 1.119 0.020 . 2 . . . . A 9 ILE HG12 . 34496 1 100 . 1 . 1 9 9 ILE HG13 H 1 1.846 0.020 . 2 . . . . A 9 ILE HG13 . 34496 1 101 . 1 . 1 9 9 ILE HG21 H 1 1.144 0.020 . 1 . . . . A 9 ILE HG21 . 34496 1 102 . 1 . 1 9 9 ILE HG22 H 1 1.144 0.020 . 1 . . . . A 9 ILE HG22 . 34496 1 103 . 1 . 1 9 9 ILE HG23 H 1 1.144 0.020 . 1 . . . . A 9 ILE HG23 . 34496 1 104 . 1 . 1 9 9 ILE HD11 H 1 0.889 0.020 . 1 . . . . A 9 ILE HD11 . 34496 1 105 . 1 . 1 9 9 ILE HD12 H 1 0.889 0.020 . 1 . . . . A 9 ILE HD12 . 34496 1 106 . 1 . 1 9 9 ILE HD13 H 1 0.889 0.020 . 1 . . . . A 9 ILE HD13 . 34496 1 107 . 1 . 1 9 9 ILE C C 13 177.785 0.3 . 1 . . . . A 9 ILE C . 34496 1 108 . 1 . 1 9 9 ILE CA C 13 66.237 0.3 . 1 . . . . A 9 ILE CA . 34496 1 109 . 1 . 1 9 9 ILE CB C 13 37.856 0.3 . 1 . . . . A 9 ILE CB . 34496 1 110 . 1 . 1 9 9 ILE CG1 C 13 30.125 0.3 . 1 . . . . A 9 ILE CG1 . 34496 1 111 . 1 . 1 9 9 ILE CG2 C 13 17.354 0.3 . 1 . . . . A 9 ILE CG2 . 34496 1 112 . 1 . 1 9 9 ILE CD1 C 13 12.921 0.3 . 1 . . . . A 9 ILE CD1 . 34496 1 113 . 1 . 1 9 9 ILE N N 15 120.764 0.3 . 1 . . . . A 9 ILE N . 34496 1 114 . 1 . 1 10 10 ALA H H 1 8.018 0.020 . 1 . . . . A 10 ALA H . 34496 1 115 . 1 . 1 10 10 ALA HA H 1 4.152 0.020 . 1 . . . . A 10 ALA HA . 34496 1 116 . 1 . 1 10 10 ALA HB1 H 1 1.557 0.020 . 1 . . . . A 10 ALA HB1 . 34496 1 117 . 1 . 1 10 10 ALA HB2 H 1 1.557 0.020 . 1 . . . . A 10 ALA HB2 . 34496 1 118 . 1 . 1 10 10 ALA HB3 H 1 1.557 0.020 . 1 . . . . A 10 ALA HB3 . 34496 1 119 . 1 . 1 10 10 ALA C C 13 180.968 0.3 . 1 . . . . A 10 ALA C . 34496 1 120 . 1 . 1 10 10 ALA CA C 13 55.458 0.3 . 1 . . . . A 10 ALA CA . 34496 1 121 . 1 . 1 10 10 ALA CB C 13 17.823 0.3 . 1 . . . . A 10 ALA CB . 34496 1 122 . 1 . 1 10 10 ALA N N 15 122.508 0.3 . 1 . . . . A 10 ALA N . 34496 1 123 . 1 . 1 11 11 GLU H H 1 7.806 0.020 . 1 . . . . A 11 GLU H . 34496 1 124 . 1 . 1 11 11 GLU HA H 1 4.175 0.020 . 1 . . . . A 11 GLU HA . 34496 1 125 . 1 . 1 11 11 GLU HB2 H 1 2.081 0.020 . 2 . . . . A 11 GLU HB2 . 34496 1 126 . 1 . 1 11 11 GLU HB3 H 1 1.951 0.020 . 2 . . . . A 11 GLU HB3 . 34496 1 127 . 1 . 1 11 11 GLU HG2 H 1 2.172 0.020 . 2 . . . . A 11 GLU HG2 . 34496 1 128 . 1 . 1 11 11 GLU HG3 H 1 2.406 0.020 . 2 . . . . A 11 GLU HG3 . 34496 1 129 . 1 . 1 11 11 GLU C C 13 180.490 0.3 . 1 . . . . A 11 GLU C . 34496 1 130 . 1 . 1 11 11 GLU CA C 13 59.397 0.3 . 1 . . . . A 11 GLU CA . 34496 1 131 . 1 . 1 11 11 GLU CB C 13 29.164 0.3 . 1 . . . . A 11 GLU CB . 34496 1 132 . 1 . 1 11 11 GLU CG C 13 36.094 0.3 . 1 . . . . A 11 GLU CG . 34496 1 133 . 1 . 1 11 11 GLU N N 15 120.816 0.3 . 1 . . . . A 11 GLU N . 34496 1 134 . 1 . 1 12 12 PHE H H 1 8.581 0.020 . 1 . . . . A 12 PHE H . 34496 1 135 . 1 . 1 12 12 PHE HA H 1 5.046 0.020 . 1 . . . . A 12 PHE HA . 34496 1 136 . 1 . 1 12 12 PHE HB2 H 1 3.492 0.020 . 1 . . . . A 12 PHE HB2 . 34496 1 137 . 1 . 1 12 12 PHE HB3 H 1 3.492 0.020 . 1 . . . . A 12 PHE HB3 . 34496 1 138 . 1 . 1 12 12 PHE HD1 H 1 7.204 0.020 . 1 . . . . A 12 PHE HD1 . 34496 1 139 . 1 . 1 12 12 PHE HD2 H 1 7.204 0.020 . 1 . . . . A 12 PHE HD2 . 34496 1 140 . 1 . 1 12 12 PHE HE1 H 1 7.278 0.020 . 1 . . . . A 12 PHE HE1 . 34496 1 141 . 1 . 1 12 12 PHE HE2 H 1 7.278 0.020 . 1 . . . . A 12 PHE HE2 . 34496 1 142 . 1 . 1 12 12 PHE HZ H 1 7.263 0.020 . 1 . . . . A 12 PHE HZ . 34496 1 143 . 1 . 1 12 12 PHE C C 13 178.666 0.3 . 1 . . . . A 12 PHE C . 34496 1 144 . 1 . 1 12 12 PHE CA C 13 59.251 0.3 . 1 . . . . A 12 PHE CA . 34496 1 145 . 1 . 1 12 12 PHE CB C 13 37.897 0.3 . 1 . . . . A 12 PHE CB . 34496 1 146 . 1 . 1 12 12 PHE CD1 C 13 130.531 0.3 . 1 . . . . A 12 PHE CD1 . 34496 1 147 . 1 . 1 12 12 PHE CE1 C 13 131.508 0.3 . 1 . . . . A 12 PHE CE1 . 34496 1 148 . 1 . 1 12 12 PHE CZ C 13 130.044 0.3 . 1 . . . . A 12 PHE CZ . 34496 1 149 . 1 . 1 12 12 PHE N N 15 121.235 0.3 . 1 . . . . A 12 PHE N . 34496 1 150 . 1 . 1 13 13 LYS H H 1 9.198 0.020 . 1 . . . . A 13 LYS H . 34496 1 151 . 1 . 1 13 13 LYS HA H 1 4.036 0.020 . 1 . . . . A 13 LYS HA . 34496 1 152 . 1 . 1 13 13 LYS HB2 H 1 1.950 0.020 . 1 . . . . A 13 LYS HB2 . 34496 1 153 . 1 . 1 13 13 LYS HB3 H 1 1.950 0.020 . 1 . . . . A 13 LYS HB3 . 34496 1 154 . 1 . 1 13 13 LYS HG2 H 1 1.087 0.020 . 2 . . . . A 13 LYS HG2 . 34496 1 155 . 1 . 1 13 13 LYS HG3 H 1 1.219 0.020 . 2 . . . . A 13 LYS HG3 . 34496 1 156 . 1 . 1 13 13 LYS HD2 H 1 1.401 0.020 . 2 . . . . A 13 LYS HD2 . 34496 1 157 . 1 . 1 13 13 LYS HD3 H 1 1.285 0.020 . 2 . . . . A 13 LYS HD3 . 34496 1 158 . 1 . 1 13 13 LYS HE2 H 1 2.620 0.020 . 2 . . . . A 13 LYS HE2 . 34496 1 159 . 1 . 1 13 13 LYS HE3 H 1 2.646 0.020 . 2 . . . . A 13 LYS HE3 . 34496 1 160 . 1 . 1 13 13 LYS C C 13 179.368 0.3 . 1 . . . . A 13 LYS C . 34496 1 161 . 1 . 1 13 13 LYS CA C 13 60.117 0.3 . 1 . . . . A 13 LYS CA . 34496 1 162 . 1 . 1 13 13 LYS CB C 13 31.956 0.3 . 1 . . . . A 13 LYS CB . 34496 1 163 . 1 . 1 13 13 LYS CG C 13 25.413 0.3 . 1 . . . . A 13 LYS CG . 34496 1 164 . 1 . 1 13 13 LYS CD C 13 28.756 0.3 . 1 . . . . A 13 LYS CD . 34496 1 165 . 1 . 1 13 13 LYS CE C 13 41.835 0.3 . 1 . . . . A 13 LYS CE . 34496 1 166 . 1 . 1 13 13 LYS N N 15 124.619 0.3 . 1 . . . . A 13 LYS N . 34496 1 167 . 1 . 1 14 14 GLU H H 1 7.850 0.020 . 1 . . . . A 14 GLU H . 34496 1 168 . 1 . 1 14 14 GLU HA H 1 4.168 0.020 . 1 . . . . A 14 GLU HA . 34496 1 169 . 1 . 1 14 14 GLU HB2 H 1 2.219 0.020 . 1 . . . . A 14 GLU HB2 . 34496 1 170 . 1 . 1 14 14 GLU HG2 H 1 2.323 0.020 . 2 . . . . A 14 GLU HG2 . 34496 1 171 . 1 . 1 14 14 GLU HG3 H 1 2.434 0.020 . 2 . . . . A 14 GLU HG3 . 34496 1 172 . 1 . 1 14 14 GLU C C 13 179.384 0.3 . 1 . . . . A 14 GLU C . 34496 1 173 . 1 . 1 14 14 GLU CA C 13 59.371 0.3 . 1 . . . . A 14 GLU CA . 34496 1 174 . 1 . 1 14 14 GLU CB C 13 29.012 0.3 . 1 . . . . A 14 GLU CB . 34496 1 175 . 1 . 1 14 14 GLU CG C 13 36.233 0.3 . 1 . . . . A 14 GLU CG . 34496 1 176 . 1 . 1 14 14 GLU N N 15 121.620 0.3 . 1 . . . . A 14 GLU N . 34496 1 177 . 1 . 1 15 15 ALA H H 1 8.014 0.020 . 1 . . . . A 15 ALA H . 34496 1 178 . 1 . 1 15 15 ALA HA H 1 4.292 0.020 . 1 . . . . A 15 ALA HA . 34496 1 179 . 1 . 1 15 15 ALA HB1 H 1 1.963 0.020 . 1 . . . . A 15 ALA HB1 . 34496 1 180 . 1 . 1 15 15 ALA HB2 H 1 1.963 0.020 . 1 . . . . A 15 ALA HB2 . 34496 1 181 . 1 . 1 15 15 ALA HB3 H 1 1.963 0.020 . 1 . . . . A 15 ALA HB3 . 34496 1 182 . 1 . 1 15 15 ALA C C 13 178.937 0.3 . 1 . . . . A 15 ALA C . 34496 1 183 . 1 . 1 15 15 ALA CA C 13 55.252 0.3 . 1 . . . . A 15 ALA CA . 34496 1 184 . 1 . 1 15 15 ALA CB C 13 18.094 0.3 . 1 . . . . A 15 ALA CB . 34496 1 185 . 1 . 1 15 15 ALA N N 15 123.683 0.3 . 1 . . . . A 15 ALA N . 34496 1 186 . 1 . 1 16 16 PHE H H 1 8.818 0.020 . 1 . . . . A 16 PHE H . 34496 1 187 . 1 . 1 16 16 PHE HA H 1 3.314 0.020 . 1 . . . . A 16 PHE HA . 34496 1 188 . 1 . 1 16 16 PHE HB2 H 1 2.982 0.020 . 2 . . . . A 16 PHE HB2 . 34496 1 189 . 1 . 1 16 16 PHE HB3 H 1 3.217 0.020 . 2 . . . . A 16 PHE HB3 . 34496 1 190 . 1 . 1 16 16 PHE HD1 H 1 6.632 0.020 . 1 . . . . A 16 PHE HD1 . 34496 1 191 . 1 . 1 16 16 PHE HD2 H 1 6.632 0.020 . 1 . . . . A 16 PHE HD2 . 34496 1 192 . 1 . 1 16 16 PHE HE1 H 1 7.035 0.020 . 1 . . . . A 16 PHE HE1 . 34496 1 193 . 1 . 1 16 16 PHE HE2 H 1 7.035 0.020 . 1 . . . . A 16 PHE HE2 . 34496 1 194 . 1 . 1 16 16 PHE HZ H 1 7.248 0.020 . 1 . . . . A 16 PHE HZ . 34496 1 195 . 1 . 1 16 16 PHE C C 13 177.118 0.3 . 1 . . . . A 16 PHE C . 34496 1 196 . 1 . 1 16 16 PHE CA C 13 62.067 0.3 . 1 . . . . A 16 PHE CA . 34496 1 197 . 1 . 1 16 16 PHE CB C 13 39.663 0.3 . 1 . . . . A 16 PHE CB . 34496 1 198 . 1 . 1 16 16 PHE CD1 C 13 132.040 0.3 . 1 . . . . A 16 PHE CD1 . 34496 1 199 . 1 . 1 16 16 PHE CE1 C 13 131.139 0.3 . 1 . . . . A 16 PHE CE1 . 34496 1 200 . 1 . 1 16 16 PHE CZ C 13 129.730 0.3 . 1 . . . . A 16 PHE CZ . 34496 1 201 . 1 . 1 16 16 PHE N N 15 120.314 0.3 . 1 . . . . A 16 PHE N . 34496 1 202 . 1 . 1 17 17 SER H H 1 7.945 0.020 . 1 . . . . A 17 SER H . 34496 1 203 . 1 . 1 17 17 SER HA H 1 4.173 0.020 . 1 . . . . A 17 SER HA . 34496 1 204 . 1 . 1 17 17 SER HB2 H 1 4.046 0.020 . 2 . . . . A 17 SER HB2 . 34496 1 205 . 1 . 1 17 17 SER HB3 H 1 4.061 0.020 . 2 . . . . A 17 SER HB3 . 34496 1 206 . 1 . 1 17 17 SER C C 13 175.283 0.3 . 1 . . . . A 17 SER C . 34496 1 207 . 1 . 1 17 17 SER CA C 13 61.504 0.3 . 1 . . . . A 17 SER CA . 34496 1 208 . 1 . 1 17 17 SER CB C 13 63.283 0.3 . 1 . . . . A 17 SER CB . 34496 1 209 . 1 . 1 17 17 SER N N 15 113.366 0.3 . 1 . . . . A 17 SER N . 34496 1 210 . 1 . 1 18 18 LEU H H 1 7.489 0.020 . 1 . . . . A 18 LEU H . 34496 1 211 . 1 . 1 18 18 LEU HA H 1 4.018 0.020 . 1 . . . . A 18 LEU HA . 34496 1 212 . 1 . 1 18 18 LEU HB2 H 1 1.707 0.020 . 2 . . . . A 18 LEU HB2 . 34496 1 213 . 1 . 1 18 18 LEU HB3 H 1 1.573 0.020 . 2 . . . . A 18 LEU HB3 . 34496 1 214 . 1 . 1 18 18 LEU HG H 1 1.459 0.020 . 1 . . . . A 18 LEU HG . 34496 1 215 . 1 . 1 18 18 LEU HD11 H 1 0.846 0.020 . 1 . . . . A 18 LEU HD11 . 34496 1 216 . 1 . 1 18 18 LEU HD12 H 1 0.846 0.020 . 1 . . . . A 18 LEU HD12 . 34496 1 217 . 1 . 1 18 18 LEU HD13 H 1 0.846 0.020 . 1 . . . . A 18 LEU HD13 . 34496 1 218 . 1 . 1 18 18 LEU HD21 H 1 0.738 0.020 . 1 . . . . A 18 LEU HD21 . 34496 1 219 . 1 . 1 18 18 LEU HD22 H 1 0.738 0.020 . 1 . . . . A 18 LEU HD22 . 34496 1 220 . 1 . 1 18 18 LEU HD23 H 1 0.738 0.020 . 1 . . . . A 18 LEU HD23 . 34496 1 221 . 1 . 1 18 18 LEU C C 13 178.213 0.3 . 1 . . . . A 18 LEU C . 34496 1 222 . 1 . 1 18 18 LEU CA C 13 57.107 0.3 . 1 . . . . A 18 LEU CA . 34496 1 223 . 1 . 1 18 18 LEU CB C 13 41.579 0.3 . 1 . . . . A 18 LEU CB . 34496 1 224 . 1 . 1 18 18 LEU CG C 13 26.603 0.3 . 1 . . . . A 18 LEU CG . 34496 1 225 . 1 . 1 18 18 LEU CD1 C 13 24.224 0.3 . 1 . . . . A 18 LEU CD1 . 34496 1 226 . 1 . 1 18 18 LEU CD2 C 13 23.955 0.3 . 1 . . . . A 18 LEU CD2 . 34496 1 227 . 1 . 1 18 18 LEU N N 15 122.302 0.3 . 1 . . . . A 18 LEU N . 34496 1 228 . 1 . 1 19 19 PHE H H 1 7.408 0.020 . 1 . . . . A 19 PHE H . 34496 1 229 . 1 . 1 19 19 PHE HA H 1 4.326 0.020 . 1 . . . . A 19 PHE HA . 34496 1 230 . 1 . 1 19 19 PHE HB2 H 1 2.772 0.020 . 2 . . . . A 19 PHE HB2 . 34496 1 231 . 1 . 1 19 19 PHE HB3 H 1 2.645 0.020 . 2 . . . . A 19 PHE HB3 . 34496 1 232 . 1 . 1 19 19 PHE HD1 H 1 7.338 0.020 . 1 . . . . A 19 PHE HD1 . 34496 1 233 . 1 . 1 19 19 PHE HD2 H 1 7.338 0.020 . 1 . . . . A 19 PHE HD2 . 34496 1 234 . 1 . 1 19 19 PHE HE1 H 1 7.408 0.020 . 1 . . . . A 19 PHE HE1 . 34496 1 235 . 1 . 1 19 19 PHE HE2 H 1 7.408 0.020 . 1 . . . . A 19 PHE HE2 . 34496 1 236 . 1 . 1 19 19 PHE HZ H 1 7.356 0.020 . 1 . . . . A 19 PHE HZ . 34496 1 237 . 1 . 1 19 19 PHE C C 13 176.496 0.3 . 1 . . . . A 19 PHE C . 34496 1 238 . 1 . 1 19 19 PHE CA C 13 59.310 0.3 . 1 . . . . A 19 PHE CA . 34496 1 239 . 1 . 1 19 19 PHE CB C 13 40.448 0.3 . 1 . . . . A 19 PHE CB . 34496 1 240 . 1 . 1 19 19 PHE CD1 C 13 132.051 0.3 . 1 . . . . A 19 PHE CD1 . 34496 1 241 . 1 . 1 19 19 PHE CE1 C 13 131.227 0.3 . 1 . . . . A 19 PHE CE1 . 34496 1 242 . 1 . 1 19 19 PHE CZ C 13 130.192 0.3 . 1 . . . . A 19 PHE CZ . 34496 1 243 . 1 . 1 19 19 PHE N N 15 116.467 0.3 . 1 . . . . A 19 PHE N . 34496 1 244 . 1 . 1 20 20 ASP H H 1 7.787 0.020 . 1 . . . . A 20 ASP H . 34496 1 245 . 1 . 1 20 20 ASP HA H 1 4.602 0.020 . 1 . . . . A 20 ASP HA . 34496 1 246 . 1 . 1 20 20 ASP HB2 H 1 1.599 0.020 . 2 . . . . A 20 ASP HB2 . 34496 1 247 . 1 . 1 20 20 ASP HB3 H 1 2.471 0.020 . 2 . . . . A 20 ASP HB3 . 34496 1 248 . 1 . 1 20 20 ASP C C 13 177.236 0.3 . 1 . . . . A 20 ASP C . 34496 1 249 . 1 . 1 20 20 ASP CA C 13 52.337 0.3 . 1 . . . . A 20 ASP CA . 34496 1 250 . 1 . 1 20 20 ASP CB C 13 38.752 0.3 . 1 . . . . A 20 ASP CB . 34496 1 251 . 1 . 1 20 20 ASP N N 15 119.466 0.3 . 1 . . . . A 20 ASP N . 34496 1 252 . 1 . 1 21 21 LYS H H 1 7.719 0.020 . 1 . . . . A 21 LYS H . 34496 1 253 . 1 . 1 21 21 LYS HA H 1 3.997 0.020 . 1 . . . . A 21 LYS HA . 34496 1 254 . 1 . 1 21 21 LYS HB2 H 1 1.901 0.020 . 2 . . . . A 21 LYS HB2 . 34496 1 255 . 1 . 1 21 21 LYS HB3 H 1 1.922 0.020 . 2 . . . . A 21 LYS HB3 . 34496 1 256 . 1 . 1 21 21 LYS HG2 H 1 1.529 0.020 . 2 . . . . A 21 LYS HG2 . 34496 1 257 . 1 . 1 21 21 LYS HG3 H 1 1.594 0.020 . 2 . . . . A 21 LYS HG3 . 34496 1 258 . 1 . 1 21 21 LYS HD3 H 1 1.743 0.020 . 1 . . . . A 21 LYS HD3 . 34496 1 259 . 1 . 1 21 21 LYS HE2 H 1 3.058 0.020 . 1 . . . . A 21 LYS HE2 . 34496 1 260 . 1 . 1 21 21 LYS C C 13 178.110 0.3 . 1 . . . . A 21 LYS C . 34496 1 261 . 1 . 1 21 21 LYS CA C 13 58.550 0.3 . 1 . . . . A 21 LYS CA . 34496 1 262 . 1 . 1 21 21 LYS CB C 13 32.680 0.3 . 1 . . . . A 21 LYS CB . 34496 1 263 . 1 . 1 21 21 LYS CG C 13 24.528 0.3 . 1 . . . . A 21 LYS CG . 34496 1 264 . 1 . 1 21 21 LYS CD C 13 28.425 0.3 . 1 . . . . A 21 LYS CD . 34496 1 265 . 1 . 1 21 21 LYS CE C 13 42.073 0.3 . 1 . . . . A 21 LYS CE . 34496 1 266 . 1 . 1 21 21 LYS N N 15 125.644 0.3 . 1 . . . . A 21 LYS N . 34496 1 267 . 1 . 1 22 22 ASP H H 1 8.142 0.020 . 1 . . . . A 22 ASP H . 34496 1 268 . 1 . 1 22 22 ASP HA H 1 4.606 0.020 . 1 . . . . A 22 ASP HA . 34496 1 269 . 1 . 1 22 22 ASP HB2 H 1 3.064 0.020 . 2 . . . . A 22 ASP HB2 . 34496 1 270 . 1 . 1 22 22 ASP HB3 H 1 2.639 0.020 . 2 . . . . A 22 ASP HB3 . 34496 1 271 . 1 . 1 22 22 ASP C C 13 177.690 0.3 . 1 . . . . A 22 ASP C . 34496 1 272 . 1 . 1 22 22 ASP CA C 13 52.744 0.3 . 1 . . . . A 22 ASP CA . 34496 1 273 . 1 . 1 22 22 ASP CB C 13 39.649 0.3 . 1 . . . . A 22 ASP CB . 34496 1 274 . 1 . 1 22 22 ASP N N 15 115.145 0.3 . 1 . . . . A 22 ASP N . 34496 1 275 . 1 . 1 23 23 GLY H H 1 7.679 0.020 . 1 . . . . A 23 GLY H . 34496 1 276 . 1 . 1 23 23 GLY HA2 H 1 3.873 0.020 . 1 . . . . A 23 GLY HA2 . 34496 1 277 . 1 . 1 23 23 GLY HA3 H 1 3.873 0.020 . 1 . . . . A 23 GLY HA3 . 34496 1 278 . 1 . 1 23 23 GLY C C 13 175.131 0.3 . 1 . . . . A 23 GLY C . 34496 1 279 . 1 . 1 23 23 GLY CA C 13 47.213 0.3 . 1 . . . . A 23 GLY CA . 34496 1 280 . 1 . 1 23 23 GLY N N 15 110.387 0.3 . 1 . . . . A 23 GLY N . 34496 1 281 . 1 . 1 24 24 ASP H H 1 8.378 0.020 . 1 . . . . A 24 ASP H . 34496 1 282 . 1 . 1 24 24 ASP HA H 1 4.541 0.020 . 1 . . . . A 24 ASP HA . 34496 1 283 . 1 . 1 24 24 ASP HB2 H 1 3.070 0.020 . 2 . . . . A 24 ASP HB2 . 34496 1 284 . 1 . 1 24 24 ASP HB3 H 1 2.491 0.020 . 2 . . . . A 24 ASP HB3 . 34496 1 285 . 1 . 1 24 24 ASP C C 13 177.461 0.3 . 1 . . . . A 24 ASP C . 34496 1 286 . 1 . 1 24 24 ASP CA C 13 53.780 0.3 . 1 . . . . A 24 ASP CA . 34496 1 287 . 1 . 1 24 24 ASP CB C 13 40.392 0.3 . 1 . . . . A 24 ASP CB . 34496 1 288 . 1 . 1 24 24 ASP N N 15 121.715 0.3 . 1 . . . . A 24 ASP N . 34496 1 289 . 1 . 1 25 25 GLY H H 1 10.622 0.020 . 1 . . . . A 25 GLY H . 34496 1 290 . 1 . 1 25 25 GLY HA2 H 1 3.716 0.020 . 2 . . . . A 25 GLY HA2 . 34496 1 291 . 1 . 1 25 25 GLY HA3 H 1 4.378 0.020 . 2 . . . . A 25 GLY HA3 . 34496 1 292 . 1 . 1 25 25 GLY C C 13 173.714 0.3 . 1 . . . . A 25 GLY C . 34496 1 293 . 1 . 1 25 25 GLY CA C 13 45.510 0.3 . 1 . . . . A 25 GLY CA . 34496 1 294 . 1 . 1 25 25 GLY N N 15 114.478 0.3 . 1 . . . . A 25 GLY N . 34496 1 295 . 1 . 1 26 26 THR H H 1 8.135 0.020 . 1 . . . . A 26 THR H . 34496 1 296 . 1 . 1 26 26 THR HA H 1 5.292 0.020 . 1 . . . . A 26 THR HA . 34496 1 297 . 1 . 1 26 26 THR HB H 1 3.893 0.020 . 1 . . . . A 26 THR HB . 34496 1 298 . 1 . 1 26 26 THR HG21 H 1 1.068 0.020 . 1 . . . . A 26 THR HG21 . 34496 1 299 . 1 . 1 26 26 THR HG22 H 1 1.068 0.020 . 1 . . . . A 26 THR HG22 . 34496 1 300 . 1 . 1 26 26 THR HG23 H 1 1.068 0.020 . 1 . . . . A 26 THR HG23 . 34496 1 301 . 1 . 1 26 26 THR C C 13 172.906 0.3 . 1 . . . . A 26 THR C . 34496 1 302 . 1 . 1 26 26 THR CA C 13 59.951 0.3 . 1 . . . . A 26 THR CA . 34496 1 303 . 1 . 1 26 26 THR CB C 13 72.592 0.3 . 1 . . . . A 26 THR CB . 34496 1 304 . 1 . 1 26 26 THR CG2 C 13 21.453 0.3 . 1 . . . . A 26 THR CG2 . 34496 1 305 . 1 . 1 26 26 THR N N 15 113.845 0.3 . 1 . . . . A 26 THR N . 34496 1 306 . 1 . 1 27 27 ILE H H 1 9.719 0.020 . 1 . . . . A 27 ILE H . 34496 1 307 . 1 . 1 27 27 ILE HA H 1 5.035 0.020 . 1 . . . . A 27 ILE HA . 34496 1 308 . 1 . 1 27 27 ILE HB H 1 1.890 0.020 . 1 . . . . A 27 ILE HB . 34496 1 309 . 1 . 1 27 27 ILE HG12 H 1 0.476 0.020 . 2 . . . . A 27 ILE HG12 . 34496 1 310 . 1 . 1 27 27 ILE HG13 H 1 1.156 0.020 . 2 . . . . A 27 ILE HG13 . 34496 1 311 . 1 . 1 27 27 ILE HG21 H 1 0.839 0.020 . 1 . . . . A 27 ILE HG21 . 34496 1 312 . 1 . 1 27 27 ILE HG22 H 1 0.839 0.020 . 1 . . . . A 27 ILE HG22 . 34496 1 313 . 1 . 1 27 27 ILE HG23 H 1 0.839 0.020 . 1 . . . . A 27 ILE HG23 . 34496 1 314 . 1 . 1 27 27 ILE HD11 H 1 0.288 0.020 . 1 . . . . A 27 ILE HD11 . 34496 1 315 . 1 . 1 27 27 ILE HD12 H 1 0.288 0.020 . 1 . . . . A 27 ILE HD12 . 34496 1 316 . 1 . 1 27 27 ILE HD13 H 1 0.288 0.020 . 1 . . . . A 27 ILE HD13 . 34496 1 317 . 1 . 1 27 27 ILE C C 13 176.062 0.3 . 1 . . . . A 27 ILE C . 34496 1 318 . 1 . 1 27 27 ILE CA C 13 60.183 0.3 . 1 . . . . A 27 ILE CA . 34496 1 319 . 1 . 1 27 27 ILE CB C 13 39.526 0.3 . 1 . . . . A 27 ILE CB . 34496 1 320 . 1 . 1 27 27 ILE CG1 C 13 26.850 0.3 . 1 . . . . A 27 ILE CG1 . 34496 1 321 . 1 . 1 27 27 ILE CG2 C 13 17.427 0.3 . 1 . . . . A 27 ILE CG2 . 34496 1 322 . 1 . 1 27 27 ILE CD1 C 13 14.735 0.3 . 1 . . . . A 27 ILE CD1 . 34496 1 323 . 1 . 1 27 27 ILE N N 15 127.738 0.3 . 1 . . . . A 27 ILE N . 34496 1 324 . 1 . 1 28 28 THR H H 1 8.594 0.020 . 1 . . . . A 28 THR H . 34496 1 325 . 1 . 1 28 28 THR HA H 1 4.832 0.020 . 1 . . . . A 28 THR HA . 34496 1 326 . 1 . 1 28 28 THR HB H 1 4.810 0.020 . 1 . . . . A 28 THR HB . 34496 1 327 . 1 . 1 28 28 THR HG21 H 1 1.344 0.020 . 1 . . . . A 28 THR HG21 . 34496 1 328 . 1 . 1 28 28 THR HG22 H 1 1.344 0.020 . 1 . . . . A 28 THR HG22 . 34496 1 329 . 1 . 1 28 28 THR HG23 H 1 1.344 0.020 . 1 . . . . A 28 THR HG23 . 34496 1 330 . 1 . 1 28 28 THR C C 13 176.541 0.3 . 1 . . . . A 28 THR C . 34496 1 331 . 1 . 1 28 28 THR CA C 13 59.846 0.3 . 1 . . . . A 28 THR CA . 34496 1 332 . 1 . 1 28 28 THR CB C 13 72.142 0.3 . 1 . . . . A 28 THR CB . 34496 1 333 . 1 . 1 28 28 THR CG2 C 13 21.933 0.3 . 1 . . . . A 28 THR CG2 . 34496 1 334 . 1 . 1 28 28 THR N N 15 117.654 0.3 . 1 . . . . A 28 THR N . 34496 1 335 . 1 . 1 29 29 THR H H 1 8.952 0.020 . 1 . . . . A 29 THR H . 34496 1 336 . 1 . 1 29 29 THR HA H 1 3.821 0.020 . 1 . . . . A 29 THR HA . 34496 1 337 . 1 . 1 29 29 THR HB H 1 4.239 0.020 . 1 . . . . A 29 THR HB . 34496 1 338 . 1 . 1 29 29 THR HG21 H 1 1.300 0.020 . 1 . . . . A 29 THR HG21 . 34496 1 339 . 1 . 1 29 29 THR HG22 H 1 1.300 0.020 . 1 . . . . A 29 THR HG22 . 34496 1 340 . 1 . 1 29 29 THR HG23 H 1 1.300 0.020 . 1 . . . . A 29 THR HG23 . 34496 1 341 . 1 . 1 29 29 THR C C 13 176.981 0.3 . 1 . . . . A 29 THR C . 34496 1 342 . 1 . 1 29 29 THR CA C 13 66.611 0.3 . 1 . . . . A 29 THR CA . 34496 1 343 . 1 . 1 29 29 THR CB C 13 68.019 0.3 . 1 . . . . A 29 THR CB . 34496 1 344 . 1 . 1 29 29 THR CG2 C 13 23.157 0.3 . 1 . . . . A 29 THR CG2 . 34496 1 345 . 1 . 1 29 29 THR N N 15 114.260 0.3 . 1 . . . . A 29 THR N . 34496 1 346 . 1 . 1 30 30 LYS H H 1 7.764 0.020 . 1 . . . . A 30 LYS H . 34496 1 347 . 1 . 1 30 30 LYS HA H 1 4.166 0.020 . 1 . . . . A 30 LYS HA . 34496 1 348 . 1 . 1 30 30 LYS HB2 H 1 1.904 0.020 . 2 . . . . A 30 LYS HB2 . 34496 1 349 . 1 . 1 30 30 LYS HB3 H 1 1.848 0.020 . 2 . . . . A 30 LYS HB3 . 34496 1 350 . 1 . 1 30 30 LYS HG2 H 1 1.451 0.020 . 2 . . . . A 30 LYS HG2 . 34496 1 351 . 1 . 1 30 30 LYS HG3 H 1 1.532 0.020 . 2 . . . . A 30 LYS HG3 . 34496 1 352 . 1 . 1 30 30 LYS HD3 H 1 1.718 0.020 . 1 . . . . A 30 LYS HD3 . 34496 1 353 . 1 . 1 30 30 LYS HE2 H 1 3.025 0.020 . 1 . . . . A 30 LYS HE2 . 34496 1 354 . 1 . 1 30 30 LYS C C 13 179.787 0.3 . 1 . . . . A 30 LYS C . 34496 1 355 . 1 . 1 30 30 LYS CA C 13 59.196 0.3 . 1 . . . . A 30 LYS CA . 34496 1 356 . 1 . 1 30 30 LYS CB C 13 32.321 0.3 . 1 . . . . A 30 LYS CB . 34496 1 357 . 1 . 1 30 30 LYS CG C 13 24.934 0.3 . 1 . . . . A 30 LYS CG . 34496 1 358 . 1 . 1 30 30 LYS CD C 13 29.030 0.3 . 1 . . . . A 30 LYS CD . 34496 1 359 . 1 . 1 30 30 LYS CE C 13 42.047 0.3 . 1 . . . . A 30 LYS CE . 34496 1 360 . 1 . 1 30 30 LYS N N 15 121.487 0.3 . 1 . . . . A 30 LYS N . 34496 1 361 . 1 . 1 31 31 GLU H H 1 7.631 0.020 . 1 . . . . A 31 GLU H . 34496 1 362 . 1 . 1 31 31 GLU HA H 1 4.138 0.020 . 1 . . . . A 31 GLU HA . 34496 1 363 . 1 . 1 31 31 GLU HB2 H 1 2.426 0.020 . 2 . . . . A 31 GLU HB2 . 34496 1 364 . 1 . 1 31 31 GLU HB3 H 1 2.514 0.020 . 2 . . . . A 31 GLU HB3 . 34496 1 365 . 1 . 1 31 31 GLU HG2 H 1 2.378 0.020 . 2 . . . . A 31 GLU HG2 . 34496 1 366 . 1 . 1 31 31 GLU HG3 H 1 2.488 0.020 . 2 . . . . A 31 GLU HG3 . 34496 1 367 . 1 . 1 31 31 GLU C C 13 178.850 0.3 . 1 . . . . A 31 GLU C . 34496 1 368 . 1 . 1 31 31 GLU CA C 13 58.888 0.3 . 1 . . . . A 31 GLU CA . 34496 1 369 . 1 . 1 31 31 GLU CB C 13 29.974 0.3 . 1 . . . . A 31 GLU CB . 34496 1 370 . 1 . 1 31 31 GLU CG C 13 37.954 0.3 . 1 . . . . A 31 GLU CG . 34496 1 371 . 1 . 1 31 31 GLU N N 15 122.241 0.3 . 1 . . . . A 31 GLU N . 34496 1 372 . 1 . 1 32 32 LEU H H 1 8.642 0.020 . 1 . . . . A 32 LEU H . 34496 1 373 . 1 . 1 32 32 LEU HA H 1 4.059 0.020 . 1 . . . . A 32 LEU HA . 34496 1 374 . 1 . 1 32 32 LEU HB2 H 1 1.561 0.020 . 2 . . . . A 32 LEU HB2 . 34496 1 375 . 1 . 1 32 32 LEU HB3 H 1 1.907 0.020 . 2 . . . . A 32 LEU HB3 . 34496 1 376 . 1 . 1 32 32 LEU HG H 1 1.636 0.020 . 1 . . . . A 32 LEU HG . 34496 1 377 . 1 . 1 32 32 LEU HD11 H 1 0.899 0.020 . 1 . . . . A 32 LEU HD11 . 34496 1 378 . 1 . 1 32 32 LEU HD12 H 1 0.899 0.020 . 1 . . . . A 32 LEU HD12 . 34496 1 379 . 1 . 1 32 32 LEU HD13 H 1 0.899 0.020 . 1 . . . . A 32 LEU HD13 . 34496 1 380 . 1 . 1 32 32 LEU HD21 H 1 0.848 0.020 . 1 . . . . A 32 LEU HD21 . 34496 1 381 . 1 . 1 32 32 LEU HD22 H 1 0.848 0.020 . 1 . . . . A 32 LEU HD22 . 34496 1 382 . 1 . 1 32 32 LEU HD23 H 1 0.848 0.020 . 1 . . . . A 32 LEU HD23 . 34496 1 383 . 1 . 1 32 32 LEU C C 13 178.879 0.3 . 1 . . . . A 32 LEU C . 34496 1 384 . 1 . 1 32 32 LEU CA C 13 57.959 0.3 . 1 . . . . A 32 LEU CA . 34496 1 385 . 1 . 1 32 32 LEU CB C 13 42.461 0.3 . 1 . . . . A 32 LEU CB . 34496 1 386 . 1 . 1 32 32 LEU CG C 13 26.514 0.3 . 1 . . . . A 32 LEU CG . 34496 1 387 . 1 . 1 32 32 LEU CD1 C 13 23.578 0.3 . 1 . . . . A 32 LEU CD1 . 34496 1 388 . 1 . 1 32 32 LEU CD2 C 13 25.782 0.3 . 1 . . . . A 32 LEU CD2 . 34496 1 389 . 1 . 1 32 32 LEU N N 15 121.866 0.3 . 1 . . . . A 32 LEU N . 34496 1 390 . 1 . 1 33 33 GLY H H 1 8.528 0.020 . 1 . . . . A 33 GLY H . 34496 1 391 . 1 . 1 33 33 GLY HA2 H 1 3.605 0.020 . 2 . . . . A 33 GLY HA2 . 34496 1 392 . 1 . 1 33 33 GLY HA3 H 1 4.014 0.020 . 2 . . . . A 33 GLY HA3 . 34496 1 393 . 1 . 1 33 33 GLY C C 13 175.312 0.3 . 1 . . . . A 33 GLY C . 34496 1 394 . 1 . 1 33 33 GLY CA C 13 48.298 0.3 . 1 . . . . A 33 GLY CA . 34496 1 395 . 1 . 1 33 33 GLY N N 15 106.736 0.3 . 1 . . . . A 33 GLY N . 34496 1 396 . 1 . 1 34 34 THR H H 1 7.822 0.020 . 1 . . . . A 34 THR H . 34496 1 397 . 1 . 1 34 34 THR HA H 1 3.950 0.020 . 1 . . . . A 34 THR HA . 34496 1 398 . 1 . 1 34 34 THR HB H 1 4.325 0.020 . 1 . . . . A 34 THR HB . 34496 1 399 . 1 . 1 34 34 THR HG21 H 1 1.316 0.020 . 1 . . . . A 34 THR HG21 . 34496 1 400 . 1 . 1 34 34 THR HG22 H 1 1.316 0.020 . 1 . . . . A 34 THR HG22 . 34496 1 401 . 1 . 1 34 34 THR HG23 H 1 1.316 0.020 . 1 . . . . A 34 THR HG23 . 34496 1 402 . 1 . 1 34 34 THR C C 13 177.108 0.3 . 1 . . . . A 34 THR C . 34496 1 403 . 1 . 1 34 34 THR CA C 13 66.699 0.3 . 1 . . . . A 34 THR CA . 34496 1 404 . 1 . 1 34 34 THR CB C 13 68.611 0.3 . 1 . . . . A 34 THR CB . 34496 1 405 . 1 . 1 34 34 THR CG2 C 13 21.919 0.3 . 1 . . . . A 34 THR CG2 . 34496 1 406 . 1 . 1 34 34 THR N N 15 119.011 0.3 . 1 . . . . A 34 THR N . 34496 1 407 . 1 . 1 35 35 VAL H H 1 7.701 0.020 . 1 . . . . A 35 VAL H . 34496 1 408 . 1 . 1 35 35 VAL HA H 1 3.370 0.020 . 1 . . . . A 35 VAL HA . 34496 1 409 . 1 . 1 35 35 VAL HB H 1 2.012 0.020 . 1 . . . . A 35 VAL HB . 34496 1 410 . 1 . 1 35 35 VAL HG11 H 1 0.460 0.020 . 1 . . . . A 35 VAL HG11 . 34496 1 411 . 1 . 1 35 35 VAL HG12 H 1 0.460 0.020 . 1 . . . . A 35 VAL HG12 . 34496 1 412 . 1 . 1 35 35 VAL HG13 H 1 0.460 0.020 . 1 . . . . A 35 VAL HG13 . 34496 1 413 . 1 . 1 35 35 VAL HG21 H 1 0.675 0.020 . 1 . . . . A 35 VAL HG21 . 34496 1 414 . 1 . 1 35 35 VAL HG22 H 1 0.675 0.020 . 1 . . . . A 35 VAL HG22 . 34496 1 415 . 1 . 1 35 35 VAL HG23 H 1 0.675 0.020 . 1 . . . . A 35 VAL HG23 . 34496 1 416 . 1 . 1 35 35 VAL C C 13 179.132 0.3 . 1 . . . . A 35 VAL C . 34496 1 417 . 1 . 1 35 35 VAL CA C 13 66.169 0.3 . 1 . . . . A 35 VAL CA . 34496 1 418 . 1 . 1 35 35 VAL CB C 13 31.265 0.3 . 1 . . . . A 35 VAL CB . 34496 1 419 . 1 . 1 35 35 VAL CG1 C 13 20.663 0.3 . 1 . . . . A 35 VAL CG1 . 34496 1 420 . 1 . 1 35 35 VAL CG2 C 13 22.612 0.3 . 1 . . . . A 35 VAL CG2 . 34496 1 421 . 1 . 1 35 35 VAL N N 15 123.556 0.3 . 1 . . . . A 35 VAL N . 34496 1 422 . 1 . 1 36 36 MET H H 1 8.421 0.020 . 1 . . . . A 36 MET H . 34496 1 423 . 1 . 1 36 36 MET HA H 1 4.144 0.020 . 1 . . . . A 36 MET HA . 34496 1 424 . 1 . 1 36 36 MET HB2 H 1 2.067 0.020 . 2 . . . . A 36 MET HB2 . 34496 1 425 . 1 . 1 36 36 MET HB3 H 1 1.880 0.020 . 2 . . . . A 36 MET HB3 . 34496 1 426 . 1 . 1 36 36 MET HG2 H 1 2.624 0.020 . 2 . . . . A 36 MET HG2 . 34496 1 427 . 1 . 1 36 36 MET HG3 H 1 2.720 0.020 . 2 . . . . A 36 MET HG3 . 34496 1 428 . 1 . 1 36 36 MET HE1 H 1 1.994 0.020 . 1 . . . . A 36 MET HE1 . 34496 1 429 . 1 . 1 36 36 MET HE2 H 1 1.994 0.020 . 1 . . . . A 36 MET HE2 . 34496 1 430 . 1 . 1 36 36 MET HE3 H 1 1.994 0.020 . 1 . . . . A 36 MET HE3 . 34496 1 431 . 1 . 1 36 36 MET C C 13 179.136 0.3 . 1 . . . . A 36 MET C . 34496 1 432 . 1 . 1 36 36 MET CA C 13 59.036 0.3 . 1 . . . . A 36 MET CA . 34496 1 433 . 1 . 1 36 36 MET CB C 13 31.316 0.3 . 1 . . . . A 36 MET CB . 34496 1 434 . 1 . 1 36 36 MET CG C 13 32.880 0.3 . 1 . . . . A 36 MET CG . 34496 1 435 . 1 . 1 36 36 MET CE C 13 17.407 0.3 . 1 . . . . A 36 MET CE . 34496 1 436 . 1 . 1 36 36 MET N N 15 119.404 0.3 . 1 . . . . A 36 MET N . 34496 1 437 . 1 . 1 37 37 ARG H H 1 8.398 0.020 . 1 . . . . A 37 ARG H . 34496 1 438 . 1 . 1 37 37 ARG HA H 1 4.804 0.020 . 1 . . . . A 37 ARG HA . 34496 1 439 . 1 . 1 37 37 ARG HB3 H 1 1.945 0.020 . 1 . . . . A 37 ARG HB3 . 34496 1 440 . 1 . 1 37 37 ARG HG3 H 1 1.936 0.020 . 1 . . . . A 37 ARG HG3 . 34496 1 441 . 1 . 1 37 37 ARG HD2 H 1 3.180 0.020 . 2 . . . . A 37 ARG HD2 . 34496 1 442 . 1 . 1 37 37 ARG HD3 H 1 3.329 0.020 . 2 . . . . A 37 ARG HD3 . 34496 1 443 . 1 . 1 37 37 ARG C C 13 181.159 0.3 . 1 . . . . A 37 ARG C . 34496 1 444 . 1 . 1 37 37 ARG CA C 13 59.123 0.3 . 1 . . . . A 37 ARG CA . 34496 1 445 . 1 . 1 37 37 ARG CB C 13 30.408 0.3 . 1 . . . . A 37 ARG CB . 34496 1 446 . 1 . 1 37 37 ARG CG C 13 29.105 0.3 . 1 . . . . A 37 ARG CG . 34496 1 447 . 1 . 1 37 37 ARG CD C 13 43.452 0.3 . 1 . . . . A 37 ARG CD . 34496 1 448 . 1 . 1 37 37 ARG N N 15 120.378 0.3 . 1 . . . . A 37 ARG N . 34496 1 449 . 1 . 1 38 38 SER H H 1 7.975 0.020 . 1 . . . . A 38 SER H . 34496 1 450 . 1 . 1 38 38 SER HA H 1 4.440 0.020 . 1 . . . . A 38 SER HA . 34496 1 451 . 1 . 1 38 38 SER HB2 H 1 4.182 0.020 . 2 . . . . A 38 SER HB2 . 34496 1 452 . 1 . 1 38 38 SER HB3 H 1 4.131 0.020 . 2 . . . . A 38 SER HB3 . 34496 1 453 . 1 . 1 38 38 SER C C 13 174.950 0.3 . 1 . . . . A 38 SER C . 34496 1 454 . 1 . 1 38 38 SER CA C 13 61.563 0.3 . 1 . . . . A 38 SER CA . 34496 1 455 . 1 . 1 38 38 SER CB C 13 62.877 0.3 . 1 . . . . A 38 SER CB . 34496 1 456 . 1 . 1 38 38 SER N N 15 120.016 0.3 . 1 . . . . A 38 SER N . 34496 1 457 . 1 . 1 39 39 LEU H H 1 7.430 0.020 . 1 . . . . A 39 LEU H . 34496 1 458 . 1 . 1 39 39 LEU HA H 1 4.538 0.020 . 1 . . . . A 39 LEU HA . 34496 1 459 . 1 . 1 39 39 LEU HB2 H 1 1.919 0.020 . 2 . . . . A 39 LEU HB2 . 34496 1 460 . 1 . 1 39 39 LEU HB3 H 1 1.841 0.020 . 2 . . . . A 39 LEU HB3 . 34496 1 461 . 1 . 1 39 39 LEU HG H 1 1.848 0.020 . 1 . . . . A 39 LEU HG . 34496 1 462 . 1 . 1 39 39 LEU HD11 H 1 0.873 0.020 . 1 . . . . A 39 LEU HD11 . 34496 1 463 . 1 . 1 39 39 LEU HD12 H 1 0.873 0.020 . 1 . . . . A 39 LEU HD12 . 34496 1 464 . 1 . 1 39 39 LEU HD13 H 1 0.873 0.020 . 1 . . . . A 39 LEU HD13 . 34496 1 465 . 1 . 1 39 39 LEU HD21 H 1 0.898 0.020 . 1 . . . . A 39 LEU HD21 . 34496 1 466 . 1 . 1 39 39 LEU HD22 H 1 0.898 0.020 . 1 . . . . A 39 LEU HD22 . 34496 1 467 . 1 . 1 39 39 LEU HD23 H 1 0.898 0.020 . 1 . . . . A 39 LEU HD23 . 34496 1 468 . 1 . 1 39 39 LEU C C 13 177.526 0.3 . 1 . . . . A 39 LEU C . 34496 1 469 . 1 . 1 39 39 LEU CA C 13 54.567 0.3 . 1 . . . . A 39 LEU CA . 34496 1 470 . 1 . 1 39 39 LEU CB C 13 42.025 0.3 . 1 . . . . A 39 LEU CB . 34496 1 471 . 1 . 1 39 39 LEU CG C 13 26.168 0.3 . 1 . . . . A 39 LEU CG . 34496 1 472 . 1 . 1 39 39 LEU CD1 C 13 25.670 0.3 . 1 . . . . A 39 LEU CD1 . 34496 1 473 . 1 . 1 39 39 LEU CD2 C 13 22.413 0.3 . 1 . . . . A 39 LEU CD2 . 34496 1 474 . 1 . 1 39 39 LEU N N 15 121.890 0.3 . 1 . . . . A 39 LEU N . 34496 1 475 . 1 . 1 40 40 GLY H H 1 7.897 0.020 . 1 . . . . A 40 GLY H . 34496 1 476 . 1 . 1 40 40 GLY HA2 H 1 3.820 0.020 . 2 . . . . A 40 GLY HA2 . 34496 1 477 . 1 . 1 40 40 GLY HA3 H 1 4.298 0.020 . 2 . . . . A 40 GLY HA3 . 34496 1 478 . 1 . 1 40 40 GLY C C 13 174.404 0.3 . 1 . . . . A 40 GLY C . 34496 1 479 . 1 . 1 40 40 GLY CA C 13 45.577 0.3 . 1 . . . . A 40 GLY CA . 34496 1 480 . 1 . 1 40 40 GLY N N 15 108.111 0.3 . 1 . . . . A 40 GLY N . 34496 1 481 . 1 . 1 41 41 GLN H H 1 7.843 0.020 . 1 . . . . A 41 GLN H . 34496 1 482 . 1 . 1 41 41 GLN HA H 1 4.514 0.020 . 1 . . . . A 41 GLN HA . 34496 1 483 . 1 . 1 41 41 GLN HB2 H 1 1.679 0.020 . 2 . . . . A 41 GLN HB2 . 34496 1 484 . 1 . 1 41 41 GLN HB3 H 1 2.148 0.020 . 2 . . . . A 41 GLN HB3 . 34496 1 485 . 1 . 1 41 41 GLN HG2 H 1 2.272 0.020 . 2 . . . . A 41 GLN HG2 . 34496 1 486 . 1 . 1 41 41 GLN HG3 H 1 2.241 0.020 . 2 . . . . A 41 GLN HG3 . 34496 1 487 . 1 . 1 41 41 GLN HE21 H 1 7.340 0.020 . 1 . . . . A 41 GLN HE21 . 34496 1 488 . 1 . 1 41 41 GLN HE22 H 1 6.702 0.020 . 1 . . . . A 41 GLN HE22 . 34496 1 489 . 1 . 1 41 41 GLN C C 13 174.145 0.3 . 1 . . . . A 41 GLN C . 34496 1 490 . 1 . 1 41 41 GLN CA C 13 54.508 0.3 . 1 . . . . A 41 GLN CA . 34496 1 491 . 1 . 1 41 41 GLN CB C 13 30.577 0.3 . 1 . . . . A 41 GLN CB . 34496 1 492 . 1 . 1 41 41 GLN CG C 13 33.822 0.3 . 1 . . . . A 41 GLN CG . 34496 1 493 . 1 . 1 41 41 GLN N N 15 119.736 0.3 . 1 . . . . A 41 GLN N . 34496 1 494 . 1 . 1 41 41 GLN NE2 N 15 112.685 0.3 . 1 . . . . A 41 GLN NE2 . 34496 1 495 . 1 . 1 42 42 ASN H H 1 8.679 0.020 . 1 . . . . A 42 ASN H . 34496 1 496 . 1 . 1 42 42 ASN HA H 1 5.189 0.020 . 1 . . . . A 42 ASN HA . 34496 1 497 . 1 . 1 42 42 ASN HB2 H 1 2.551 0.020 . 2 . . . . A 42 ASN HB2 . 34496 1 498 . 1 . 1 42 42 ASN HB3 H 1 2.823 0.020 . 2 . . . . A 42 ASN HB3 . 34496 1 499 . 1 . 1 42 42 ASN HD21 H 1 7.515 0.020 . 1 . . . . A 42 ASN HD21 . 34496 1 500 . 1 . 1 42 42 ASN HD22 H 1 6.723 0.020 . 1 . . . . A 42 ASN HD22 . 34496 1 501 . 1 . 1 42 42 ASN C C 13 171.981 0.3 . 1 . . . . A 42 ASN C . 34496 1 502 . 1 . 1 42 42 ASN CA C 13 51.184 0.3 . 1 . . . . A 42 ASN CA . 34496 1 503 . 1 . 1 42 42 ASN CB C 13 39.212 0.3 . 1 . . . . A 42 ASN CB . 34496 1 504 . 1 . 1 42 42 ASN N N 15 117.750 0.3 . 1 . . . . A 42 ASN N . 34496 1 505 . 1 . 1 42 42 ASN ND2 N 15 113.692 0.3 . 1 . . . . A 42 ASN ND2 . 34496 1 506 . 1 . 1 43 43 PRO HA H 1 4.780 0.020 . 1 . . . . A 43 PRO HA . 34496 1 507 . 1 . 1 43 43 PRO HB2 H 1 1.977 0.020 . 2 . . . . A 43 PRO HB2 . 34496 1 508 . 1 . 1 43 43 PRO HB3 H 1 2.244 0.020 . 2 . . . . A 43 PRO HB3 . 34496 1 509 . 1 . 1 43 43 PRO HG2 H 1 1.972 0.020 . 2 . . . . A 43 PRO HG2 . 34496 1 510 . 1 . 1 43 43 PRO HG3 H 1 1.944 0.020 . 2 . . . . A 43 PRO HG3 . 34496 1 511 . 1 . 1 43 43 PRO HD2 H 1 3.636 0.020 . 2 . . . . A 43 PRO HD2 . 34496 1 512 . 1 . 1 43 43 PRO HD3 H 1 3.341 0.020 . 2 . . . . A 43 PRO HD3 . 34496 1 513 . 1 . 1 43 43 PRO C C 13 177.829 0.3 . 1 . . . . A 43 PRO C . 34496 1 514 . 1 . 1 43 43 PRO CA C 13 62.425 0.3 . 1 . . . . A 43 PRO CA . 34496 1 515 . 1 . 1 43 43 PRO CB C 13 31.953 0.3 . 1 . . . . A 43 PRO CB . 34496 1 516 . 1 . 1 43 43 PRO CG C 13 27.423 0.3 . 1 . . . . A 43 PRO CG . 34496 1 517 . 1 . 1 43 43 PRO CD C 13 49.890 0.3 . 1 . . . . A 43 PRO CD . 34496 1 518 . 1 . 1 44 44 THR H H 1 8.718 0.020 . 1 . . . . A 44 THR H . 34496 1 519 . 1 . 1 44 44 THR HA H 1 4.473 0.020 . 1 . . . . A 44 THR HA . 34496 1 520 . 1 . 1 44 44 THR HB H 1 4.743 0.020 . 1 . . . . A 44 THR HB . 34496 1 521 . 1 . 1 44 44 THR HG21 H 1 1.390 0.020 . 1 . . . . A 44 THR HG21 . 34496 1 522 . 1 . 1 44 44 THR HG22 H 1 1.390 0.020 . 1 . . . . A 44 THR HG22 . 34496 1 523 . 1 . 1 44 44 THR HG23 H 1 1.390 0.020 . 1 . . . . A 44 THR HG23 . 34496 1 524 . 1 . 1 44 44 THR C C 13 175.237 0.3 . 1 . . . . A 44 THR C . 34496 1 525 . 1 . 1 44 44 THR CA C 13 60.556 0.3 . 1 . . . . A 44 THR CA . 34496 1 526 . 1 . 1 44 44 THR CB C 13 71.138 0.3 . 1 . . . . A 44 THR CB . 34496 1 527 . 1 . 1 44 44 THR CG2 C 13 21.917 0.3 . 1 . . . . A 44 THR CG2 . 34496 1 528 . 1 . 1 44 44 THR N N 15 114.188 0.3 . 1 . . . . A 44 THR N . 34496 1 529 . 1 . 1 45 45 GLU H H 1 8.814 0.020 . 1 . . . . A 45 GLU H . 34496 1 530 . 1 . 1 45 45 GLU HA H 1 4.003 0.020 . 1 . . . . A 45 GLU HA . 34496 1 531 . 1 . 1 45 45 GLU HB2 H 1 2.075 0.020 . 1 . . . . A 45 GLU HB2 . 34496 1 532 . 1 . 1 45 45 GLU HB3 H 1 2.075 0.020 . 1 . . . . A 45 GLU HB3 . 34496 1 533 . 1 . 1 45 45 GLU HG2 H 1 2.371 0.020 . 1 . . . . A 45 GLU HG2 . 34496 1 534 . 1 . 1 45 45 GLU C C 13 179.019 0.3 . 1 . . . . A 45 GLU C . 34496 1 535 . 1 . 1 45 45 GLU CA C 13 60.174 0.3 . 1 . . . . A 45 GLU CA . 34496 1 536 . 1 . 1 45 45 GLU CB C 13 29.113 0.3 . 1 . . . . A 45 GLU CB . 34496 1 537 . 1 . 1 45 45 GLU CG C 13 36.542 0.3 . 1 . . . . A 45 GLU CG . 34496 1 538 . 1 . 1 45 45 GLU N N 15 121.864 0.3 . 1 . . . . A 45 GLU N . 34496 1 539 . 1 . 1 46 46 ALA H H 1 8.243 0.020 . 1 . . . . A 46 ALA H . 34496 1 540 . 1 . 1 46 46 ALA HA H 1 4.126 0.020 . 1 . . . . A 46 ALA HA . 34496 1 541 . 1 . 1 46 46 ALA HB1 H 1 1.432 0.020 . 1 . . . . A 46 ALA HB1 . 34496 1 542 . 1 . 1 46 46 ALA HB2 H 1 1.432 0.020 . 1 . . . . A 46 ALA HB2 . 34496 1 543 . 1 . 1 46 46 ALA HB3 H 1 1.432 0.020 . 1 . . . . A 46 ALA HB3 . 34496 1 544 . 1 . 1 46 46 ALA C C 13 180.163 0.3 . 1 . . . . A 46 ALA C . 34496 1 545 . 1 . 1 46 46 ALA CA C 13 54.983 0.3 . 1 . . . . A 46 ALA CA . 34496 1 546 . 1 . 1 46 46 ALA CB C 13 18.318 0.3 . 1 . . . . A 46 ALA CB . 34496 1 547 . 1 . 1 46 46 ALA N N 15 121.947 0.3 . 1 . . . . A 46 ALA N . 34496 1 548 . 1 . 1 47 47 GLU H H 1 7.680 0.020 . 1 . . . . A 47 GLU H . 34496 1 549 . 1 . 1 47 47 GLU HA H 1 4.062 0.020 . 1 . . . . A 47 GLU HA . 34496 1 550 . 1 . 1 47 47 GLU HB2 H 1 2.329 0.020 . 2 . . . . A 47 GLU HB2 . 34496 1 551 . 1 . 1 47 47 GLU HB3 H 1 1.935 0.020 . 2 . . . . A 47 GLU HB3 . 34496 1 552 . 1 . 1 47 47 GLU HG2 H 1 2.330 0.020 . 1 . . . . A 47 GLU HG2 . 34496 1 553 . 1 . 1 47 47 GLU C C 13 180.162 0.3 . 1 . . . . A 47 GLU C . 34496 1 554 . 1 . 1 47 47 GLU CA C 13 58.932 0.3 . 1 . . . . A 47 GLU CA . 34496 1 555 . 1 . 1 47 47 GLU CB C 13 29.859 0.3 . 1 . . . . A 47 GLU CB . 34496 1 556 . 1 . 1 47 47 GLU CG C 13 37.357 0.3 . 1 . . . . A 47 GLU CG . 34496 1 557 . 1 . 1 47 47 GLU N N 15 119.765 0.3 . 1 . . . . A 47 GLU N . 34496 1 558 . 1 . 1 48 48 LEU H H 1 8.187 0.020 . 1 . . . . A 48 LEU H . 34496 1 559 . 1 . 1 48 48 LEU HA H 1 4.096 0.020 . 1 . . . . A 48 LEU HA . 34496 1 560 . 1 . 1 48 48 LEU HB2 H 1 2.026 0.020 . 2 . . . . A 48 LEU HB2 . 34496 1 561 . 1 . 1 48 48 LEU HB3 H 1 1.390 0.020 . 2 . . . . A 48 LEU HB3 . 34496 1 562 . 1 . 1 48 48 LEU HG H 1 1.772 0.020 . 1 . . . . A 48 LEU HG . 34496 1 563 . 1 . 1 48 48 LEU HD11 H 1 0.889 0.020 . 1 . . . . A 48 LEU HD11 . 34496 1 564 . 1 . 1 48 48 LEU HD12 H 1 0.889 0.020 . 1 . . . . A 48 LEU HD12 . 34496 1 565 . 1 . 1 48 48 LEU HD13 H 1 0.889 0.020 . 1 . . . . A 48 LEU HD13 . 34496 1 566 . 1 . 1 48 48 LEU HD21 H 1 0.847 0.020 . 1 . . . . A 48 LEU HD21 . 34496 1 567 . 1 . 1 48 48 LEU HD22 H 1 0.847 0.020 . 1 . . . . A 48 LEU HD22 . 34496 1 568 . 1 . 1 48 48 LEU HD23 H 1 0.847 0.020 . 1 . . . . A 48 LEU HD23 . 34496 1 569 . 1 . 1 48 48 LEU C C 13 178.455 0.3 . 1 . . . . A 48 LEU C . 34496 1 570 . 1 . 1 48 48 LEU CA C 13 57.922 0.3 . 1 . . . . A 48 LEU CA . 34496 1 571 . 1 . 1 48 48 LEU CB C 13 42.235 0.3 . 1 . . . . A 48 LEU CB . 34496 1 572 . 1 . 1 48 48 LEU CG C 13 26.927 0.3 . 1 . . . . A 48 LEU CG . 34496 1 573 . 1 . 1 48 48 LEU CD1 C 13 25.532 0.3 . 1 . . . . A 48 LEU CD1 . 34496 1 574 . 1 . 1 48 48 LEU CD2 C 13 23.703 0.3 . 1 . . . . A 48 LEU CD2 . 34496 1 575 . 1 . 1 48 48 LEU N N 15 121.649 0.3 . 1 . . . . A 48 LEU N . 34496 1 576 . 1 . 1 49 49 GLN H H 1 8.076 0.020 . 1 . . . . A 49 GLN H . 34496 1 577 . 1 . 1 49 49 GLN HA H 1 3.965 0.020 . 1 . . . . A 49 GLN HA . 34496 1 578 . 1 . 1 49 49 GLN HB2 H 1 2.239 0.020 . 2 . . . . A 49 GLN HB2 . 34496 1 579 . 1 . 1 49 49 GLN HB3 H 1 2.185 0.020 . 2 . . . . A 49 GLN HB3 . 34496 1 580 . 1 . 1 49 49 GLN HG2 H 1 2.481 0.020 . 2 . . . . A 49 GLN HG2 . 34496 1 581 . 1 . 1 49 49 GLN HG3 H 1 2.524 0.020 . 2 . . . . A 49 GLN HG3 . 34496 1 582 . 1 . 1 49 49 GLN HE21 H 1 7.529 0.020 . 1 . . . . A 49 GLN HE21 . 34496 1 583 . 1 . 1 49 49 GLN HE22 H 1 6.829 0.020 . 1 . . . . A 49 GLN HE22 . 34496 1 584 . 1 . 1 49 49 GLN C C 13 178.635 0.3 . 1 . . . . A 49 GLN C . 34496 1 585 . 1 . 1 49 49 GLN CA C 13 58.768 0.3 . 1 . . . . A 49 GLN CA . 34496 1 586 . 1 . 1 49 49 GLN CB C 13 27.991 0.3 . 1 . . . . A 49 GLN CB . 34496 1 587 . 1 . 1 49 49 GLN CG C 13 33.978 0.3 . 1 . . . . A 49 GLN CG . 34496 1 588 . 1 . 1 49 49 GLN N N 15 118.893 0.3 . 1 . . . . A 49 GLN N . 34496 1 589 . 1 . 1 49 49 GLN NE2 N 15 113.984 0.3 . 1 . . . . A 49 GLN NE2 . 34496 1 590 . 1 . 1 50 50 ASP H H 1 7.928 0.020 . 1 . . . . A 50 ASP H . 34496 1 591 . 1 . 1 50 50 ASP HA H 1 4.485 0.020 . 1 . . . . A 50 ASP HA . 34496 1 592 . 1 . 1 50 50 ASP HB2 H 1 2.778 0.020 . 2 . . . . A 50 ASP HB2 . 34496 1 593 . 1 . 1 50 50 ASP HB3 H 1 2.648 0.020 . 2 . . . . A 50 ASP HB3 . 34496 1 594 . 1 . 1 50 50 ASP C C 13 178.742 0.3 . 1 . . . . A 50 ASP C . 34496 1 595 . 1 . 1 50 50 ASP CA C 13 57.310 0.3 . 1 . . . . A 50 ASP CA . 34496 1 596 . 1 . 1 50 50 ASP CB C 13 40.396 0.3 . 1 . . . . A 50 ASP CB . 34496 1 597 . 1 . 1 50 50 ASP N N 15 120.377 0.3 . 1 . . . . A 50 ASP N . 34496 1 598 . 1 . 1 51 51 MET H H 1 7.882 0.020 . 1 . . . . A 51 MET H . 34496 1 599 . 1 . 1 51 51 MET HA H 1 4.103 0.020 . 1 . . . . A 51 MET HA . 34496 1 600 . 1 . 1 51 51 MET HB2 H 1 2.324 0.020 . 2 . . . . A 51 MET HB2 . 34496 1 601 . 1 . 1 51 51 MET HB3 H 1 2.034 0.020 . 2 . . . . A 51 MET HB3 . 34496 1 602 . 1 . 1 51 51 MET HG2 H 1 2.577 0.020 . 2 . . . . A 51 MET HG2 . 34496 1 603 . 1 . 1 51 51 MET HG3 H 1 2.790 0.020 . 2 . . . . A 51 MET HG3 . 34496 1 604 . 1 . 1 51 51 MET HE1 H 1 2.090 0.020 . 1 . . . . A 51 MET HE1 . 34496 1 605 . 1 . 1 51 51 MET HE2 H 1 2.090 0.020 . 1 . . . . A 51 MET HE2 . 34496 1 606 . 1 . 1 51 51 MET HE3 H 1 2.090 0.020 . 1 . . . . A 51 MET HE3 . 34496 1 607 . 1 . 1 51 51 MET C C 13 178.315 0.3 . 1 . . . . A 51 MET C . 34496 1 608 . 1 . 1 51 51 MET CA C 13 59.128 0.3 . 1 . . . . A 51 MET CA . 34496 1 609 . 1 . 1 51 51 MET CB C 13 33.108 0.3 . 1 . . . . A 51 MET CB . 34496 1 610 . 1 . 1 51 51 MET CG C 13 32.585 0.3 . 1 . . . . A 51 MET CG . 34496 1 611 . 1 . 1 51 51 MET CE C 13 17.009 0.3 . 1 . . . . A 51 MET CE . 34496 1 612 . 1 . 1 51 51 MET N N 15 120.565 0.3 . 1 . . . . A 51 MET N . 34496 1 613 . 1 . 1 52 52 ILE H H 1 7.690 0.020 . 1 . . . . A 52 ILE H . 34496 1 614 . 1 . 1 52 52 ILE HA H 1 3.593 0.020 . 1 . . . . A 52 ILE HA . 34496 1 615 . 1 . 1 52 52 ILE HB H 1 2.012 0.020 . 1 . . . . A 52 ILE HB . 34496 1 616 . 1 . 1 52 52 ILE HG12 H 1 1.084 0.020 . 2 . . . . A 52 ILE HG12 . 34496 1 617 . 1 . 1 52 52 ILE HG13 H 1 1.691 0.020 . 2 . . . . A 52 ILE HG13 . 34496 1 618 . 1 . 1 52 52 ILE HG21 H 1 0.785 0.020 . 1 . . . . A 52 ILE HG21 . 34496 1 619 . 1 . 1 52 52 ILE HG22 H 1 0.785 0.020 . 1 . . . . A 52 ILE HG22 . 34496 1 620 . 1 . 1 52 52 ILE HG23 H 1 0.785 0.020 . 1 . . . . A 52 ILE HG23 . 34496 1 621 . 1 . 1 52 52 ILE HD11 H 1 0.776 0.020 . 1 . . . . A 52 ILE HD11 . 34496 1 622 . 1 . 1 52 52 ILE HD12 H 1 0.776 0.020 . 1 . . . . A 52 ILE HD12 . 34496 1 623 . 1 . 1 52 52 ILE HD13 H 1 0.776 0.020 . 1 . . . . A 52 ILE HD13 . 34496 1 624 . 1 . 1 52 52 ILE C C 13 177.526 0.3 . 1 . . . . A 52 ILE C . 34496 1 625 . 1 . 1 52 52 ILE CA C 13 64.886 0.3 . 1 . . . . A 52 ILE CA . 34496 1 626 . 1 . 1 52 52 ILE CB C 13 37.436 0.3 . 1 . . . . A 52 ILE CB . 34496 1 627 . 1 . 1 52 52 ILE CG1 C 13 29.046 0.3 . 1 . . . . A 52 ILE CG1 . 34496 1 628 . 1 . 1 52 52 ILE CG2 C 13 16.592 0.3 . 1 . . . . A 52 ILE CG2 . 34496 1 629 . 1 . 1 52 52 ILE CD1 C 13 12.986 0.3 . 1 . . . . A 52 ILE CD1 . 34496 1 630 . 1 . 1 52 52 ILE N N 15 118.866 0.3 . 1 . . . . A 52 ILE N . 34496 1 631 . 1 . 1 53 53 ILE H H 1 7.991 0.020 . 1 . . . . A 53 ILE H . 34496 1 632 . 1 . 1 53 53 ILE HA H 1 3.791 0.020 . 1 . . . . A 53 ILE HA . 34496 1 633 . 1 . 1 53 53 ILE HB H 1 1.968 0.020 . 1 . . . . A 53 ILE HB . 34496 1 634 . 1 . 1 53 53 ILE HG12 H 1 1.759 0.020 . 2 . . . . A 53 ILE HG12 . 34496 1 635 . 1 . 1 53 53 ILE HG13 H 1 1.313 0.020 . 2 . . . . A 53 ILE HG13 . 34496 1 636 . 1 . 1 53 53 ILE HG21 H 1 0.970 0.020 . 1 . . . . A 53 ILE HG21 . 34496 1 637 . 1 . 1 53 53 ILE HG22 H 1 0.970 0.020 . 1 . . . . A 53 ILE HG22 . 34496 1 638 . 1 . 1 53 53 ILE HG23 H 1 0.970 0.020 . 1 . . . . A 53 ILE HG23 . 34496 1 639 . 1 . 1 53 53 ILE HD11 H 1 0.941 0.020 . 1 . . . . A 53 ILE HD11 . 34496 1 640 . 1 . 1 53 53 ILE HD12 H 1 0.941 0.020 . 1 . . . . A 53 ILE HD12 . 34496 1 641 . 1 . 1 53 53 ILE HD13 H 1 0.941 0.020 . 1 . . . . A 53 ILE HD13 . 34496 1 642 . 1 . 1 53 53 ILE C C 13 178.254 0.3 . 1 . . . . A 53 ILE C . 34496 1 643 . 1 . 1 53 53 ILE CA C 13 64.603 0.3 . 1 . . . . A 53 ILE CA . 34496 1 644 . 1 . 1 53 53 ILE CB C 13 37.899 0.3 . 1 . . . . A 53 ILE CB . 34496 1 645 . 1 . 1 53 53 ILE CG1 C 13 29.360 0.3 . 1 . . . . A 53 ILE CG1 . 34496 1 646 . 1 . 1 53 53 ILE CG2 C 13 17.275 0.3 . 1 . . . . A 53 ILE CG2 . 34496 1 647 . 1 . 1 53 53 ILE CD1 C 13 13.191 0.3 . 1 . . . . A 53 ILE CD1 . 34496 1 648 . 1 . 1 53 53 ILE N N 15 120.121 0.3 . 1 . . . . A 53 ILE N . 34496 1 649 . 1 . 1 54 54 GLU H H 1 7.454 0.020 . 1 . . . . A 54 GLU H . 34496 1 650 . 1 . 1 54 54 GLU HA H 1 4.033 0.020 . 1 . . . . A 54 GLU HA . 34496 1 651 . 1 . 1 54 54 GLU HB2 H 1 2.132 0.020 . 2 . . . . A 54 GLU HB2 . 34496 1 652 . 1 . 1 54 54 GLU HB3 H 1 2.047 0.020 . 2 . . . . A 54 GLU HB3 . 34496 1 653 . 1 . 1 54 54 GLU HG2 H 1 2.399 0.020 . 2 . . . . A 54 GLU HG2 . 34496 1 654 . 1 . 1 54 54 GLU HG3 H 1 2.224 0.020 . 2 . . . . A 54 GLU HG3 . 34496 1 655 . 1 . 1 54 54 GLU C C 13 177.816 0.3 . 1 . . . . A 54 GLU C . 34496 1 656 . 1 . 1 54 54 GLU CA C 13 58.887 0.3 . 1 . . . . A 54 GLU CA . 34496 1 657 . 1 . 1 54 54 GLU CB C 13 30.276 0.3 . 1 . . . . A 54 GLU CB . 34496 1 658 . 1 . 1 54 54 GLU CG C 13 36.301 0.3 . 1 . . . . A 54 GLU CG . 34496 1 659 . 1 . 1 54 54 GLU N N 15 117.774 0.3 . 1 . . . . A 54 GLU N . 34496 1 660 . 1 . 1 55 55 VAL H H 1 7.382 0.020 . 1 . . . . A 55 VAL H . 34496 1 661 . 1 . 1 55 55 VAL HA H 1 4.417 0.020 . 1 . . . . A 55 VAL HA . 34496 1 662 . 1 . 1 55 55 VAL HB H 1 2.341 0.020 . 1 . . . . A 55 VAL HB . 34496 1 663 . 1 . 1 55 55 VAL HG11 H 1 0.876 0.020 . 1 . . . . A 55 VAL HG11 . 34496 1 664 . 1 . 1 55 55 VAL HG12 H 1 0.876 0.020 . 1 . . . . A 55 VAL HG12 . 34496 1 665 . 1 . 1 55 55 VAL HG13 H 1 0.876 0.020 . 1 . . . . A 55 VAL HG13 . 34496 1 666 . 1 . 1 55 55 VAL HG21 H 1 0.953 0.020 . 1 . . . . A 55 VAL HG21 . 34496 1 667 . 1 . 1 55 55 VAL HG22 H 1 0.953 0.020 . 1 . . . . A 55 VAL HG22 . 34496 1 668 . 1 . 1 55 55 VAL HG23 H 1 0.953 0.020 . 1 . . . . A 55 VAL HG23 . 34496 1 669 . 1 . 1 55 55 VAL C C 13 176.103 0.3 . 1 . . . . A 55 VAL C . 34496 1 670 . 1 . 1 55 55 VAL CA C 13 61.338 0.3 . 1 . . . . A 55 VAL CA . 34496 1 671 . 1 . 1 55 55 VAL CB C 13 32.756 0.3 . 1 . . . . A 55 VAL CB . 34496 1 672 . 1 . 1 55 55 VAL CG1 C 13 21.751 0.3 . 1 . . . . A 55 VAL CG1 . 34496 1 673 . 1 . 1 55 55 VAL CG2 C 13 19.886 0.3 . 1 . . . . A 55 VAL CG2 . 34496 1 674 . 1 . 1 55 55 VAL N N 15 110.702 0.3 . 1 . . . . A 55 VAL N . 34496 1 675 . 1 . 1 56 56 ASP H H 1 7.910 0.020 . 1 . . . . A 56 ASP H . 34496 1 676 . 1 . 1 56 56 ASP HA H 1 4.695 0.020 . 1 . . . . A 56 ASP HA . 34496 1 677 . 1 . 1 56 56 ASP HB2 H 1 2.493 0.020 . 2 . . . . A 56 ASP HB2 . 34496 1 678 . 1 . 1 56 56 ASP HB3 H 1 2.811 0.020 . 2 . . . . A 56 ASP HB3 . 34496 1 679 . 1 . 1 56 56 ASP C C 13 176.538 0.3 . 1 . . . . A 56 ASP C . 34496 1 680 . 1 . 1 56 56 ASP CA C 13 53.657 0.3 . 1 . . . . A 56 ASP CA . 34496 1 681 . 1 . 1 56 56 ASP CB C 13 39.837 0.3 . 1 . . . . A 56 ASP CB . 34496 1 682 . 1 . 1 56 56 ASP N N 15 122.823 0.3 . 1 . . . . A 56 ASP N . 34496 1 683 . 1 . 1 57 57 ALA H H 1 8.402 0.020 . 1 . . . . A 57 ALA H . 34496 1 684 . 1 . 1 57 57 ALA HA H 1 4.216 0.020 . 1 . . . . A 57 ALA HA . 34496 1 685 . 1 . 1 57 57 ALA HB1 H 1 1.562 0.020 . 1 . . . . A 57 ALA HB1 . 34496 1 686 . 1 . 1 57 57 ALA HB2 H 1 1.562 0.020 . 1 . . . . A 57 ALA HB2 . 34496 1 687 . 1 . 1 57 57 ALA HB3 H 1 1.562 0.020 . 1 . . . . A 57 ALA HB3 . 34496 1 688 . 1 . 1 57 57 ALA C C 13 178.755 0.3 . 1 . . . . A 57 ALA C . 34496 1 689 . 1 . 1 57 57 ALA CA C 13 54.386 0.3 . 1 . . . . A 57 ALA CA . 34496 1 690 . 1 . 1 57 57 ALA CB C 13 19.408 0.3 . 1 . . . . A 57 ALA CB . 34496 1 691 . 1 . 1 57 57 ALA N N 15 132.959 0.3 . 1 . . . . A 57 ALA N . 34496 1 692 . 1 . 1 58 58 ASP H H 1 8.192 0.020 . 1 . . . . A 58 ASP H . 34496 1 693 . 1 . 1 58 58 ASP HA H 1 4.657 0.020 . 1 . . . . A 58 ASP HA . 34496 1 694 . 1 . 1 58 58 ASP HB2 H 1 3.072 0.020 . 2 . . . . A 58 ASP HB2 . 34496 1 695 . 1 . 1 58 58 ASP HB3 H 1 2.692 0.020 . 2 . . . . A 58 ASP HB3 . 34496 1 696 . 1 . 1 58 58 ASP C C 13 177.896 0.3 . 1 . . . . A 58 ASP C . 34496 1 697 . 1 . 1 58 58 ASP CA C 13 52.683 0.3 . 1 . . . . A 58 ASP CA . 34496 1 698 . 1 . 1 58 58 ASP CB C 13 39.560 0.3 . 1 . . . . A 58 ASP CB . 34496 1 699 . 1 . 1 58 58 ASP N N 15 114.936 0.3 . 1 . . . . A 58 ASP N . 34496 1 700 . 1 . 1 59 59 GLY H H 1 7.606 0.020 . 1 . . . . A 59 GLY H . 34496 1 701 . 1 . 1 59 59 GLY HA2 H 1 3.822 0.020 . 2 . . . . A 59 GLY HA2 . 34496 1 702 . 1 . 1 59 59 GLY HA3 H 1 3.926 0.020 . 2 . . . . A 59 GLY HA3 . 34496 1 703 . 1 . 1 59 59 GLY C C 13 175.035 0.3 . 1 . . . . A 59 GLY C . 34496 1 704 . 1 . 1 59 59 GLY CA C 13 47.208 0.3 . 1 . . . . A 59 GLY CA . 34496 1 705 . 1 . 1 59 59 GLY N N 15 109.619 0.3 . 1 . . . . A 59 GLY N . 34496 1 706 . 1 . 1 60 60 ASN H H 1 8.114 0.020 . 1 . . . . A 60 ASN H . 34496 1 707 . 1 . 1 60 60 ASN HA H 1 4.657 0.020 . 1 . . . . A 60 ASN HA . 34496 1 708 . 1 . 1 60 60 ASN HB2 H 1 3.326 0.020 . 2 . . . . A 60 ASN HB2 . 34496 1 709 . 1 . 1 60 60 ASN HB3 H 1 2.684 0.020 . 2 . . . . A 60 ASN HB3 . 34496 1 710 . 1 . 1 60 60 ASN HD21 H 1 7.730 0.020 . 1 . . . . A 60 ASN HD21 . 34496 1 711 . 1 . 1 60 60 ASN HD22 H 1 7.028 0.020 . 1 . . . . A 60 ASN HD22 . 34496 1 712 . 1 . 1 60 60 ASN C C 13 176.850 0.3 . 1 . . . . A 60 ASN C . 34496 1 713 . 1 . 1 60 60 ASN CA C 13 52.590 0.3 . 1 . . . . A 60 ASN CA . 34496 1 714 . 1 . 1 60 60 ASN CB C 13 37.692 0.3 . 1 . . . . A 60 ASN CB . 34496 1 715 . 1 . 1 60 60 ASN N N 15 119.731 0.3 . 1 . . . . A 60 ASN N . 34496 1 716 . 1 . 1 60 60 ASN ND2 N 15 116.915 0.3 . 1 . . . . A 60 ASN ND2 . 34496 1 717 . 1 . 1 61 61 GLY H H 1 10.658 0.020 . 1 . . . . A 61 GLY H . 34496 1 718 . 1 . 1 61 61 GLY HA2 H 1 3.483 0.020 . 2 . . . . A 61 GLY HA2 . 34496 1 719 . 1 . 1 61 61 GLY HA3 H 1 4.216 0.020 . 2 . . . . A 61 GLY HA3 . 34496 1 720 . 1 . 1 61 61 GLY C C 13 173.300 0.3 . 1 . . . . A 61 GLY C . 34496 1 721 . 1 . 1 61 61 GLY CA C 13 45.650 0.3 . 1 . . . . A 61 GLY CA . 34496 1 722 . 1 . 1 61 61 GLY N N 15 114.904 0.3 . 1 . . . . A 61 GLY N . 34496 1 723 . 1 . 1 62 62 THR H H 1 7.703 0.020 . 1 . . . . A 62 THR H . 34496 1 724 . 1 . 1 62 62 THR HA H 1 4.752 0.020 . 1 . . . . A 62 THR HA . 34496 1 725 . 1 . 1 62 62 THR HB H 1 4.035 0.020 . 1 . . . . A 62 THR HB . 34496 1 726 . 1 . 1 62 62 THR HG21 H 1 1.118 0.020 . 1 . . . . A 62 THR HG21 . 34496 1 727 . 1 . 1 62 62 THR HG22 H 1 1.118 0.020 . 1 . . . . A 62 THR HG22 . 34496 1 728 . 1 . 1 62 62 THR HG23 H 1 1.118 0.020 . 1 . . . . A 62 THR HG23 . 34496 1 729 . 1 . 1 62 62 THR C C 13 173.050 0.3 . 1 . . . . A 62 THR C . 34496 1 730 . 1 . 1 62 62 THR CA C 13 59.547 0.3 . 1 . . . . A 62 THR CA . 34496 1 731 . 1 . 1 62 62 THR CB C 13 71.767 0.3 . 1 . . . . A 62 THR CB . 34496 1 732 . 1 . 1 62 62 THR CG2 C 13 22.241 0.3 . 1 . . . . A 62 THR CG2 . 34496 1 733 . 1 . 1 62 62 THR N N 15 110.430 0.3 . 1 . . . . A 62 THR N . 34496 1 734 . 1 . 1 63 63 ILE H H 1 9.027 0.020 . 1 . . . . A 63 ILE H . 34496 1 735 . 1 . 1 63 63 ILE HA H 1 5.171 0.020 . 1 . . . . A 63 ILE HA . 34496 1 736 . 1 . 1 63 63 ILE HB H 1 2.114 0.020 . 1 . . . . A 63 ILE HB . 34496 1 737 . 1 . 1 63 63 ILE HG12 H 1 1.037 0.020 . 2 . . . . A 63 ILE HG12 . 34496 1 738 . 1 . 1 63 63 ILE HG13 H 1 1.527 0.020 . 2 . . . . A 63 ILE HG13 . 34496 1 739 . 1 . 1 63 63 ILE HG21 H 1 1.219 0.020 . 1 . . . . A 63 ILE HG21 . 34496 1 740 . 1 . 1 63 63 ILE HG22 H 1 1.219 0.020 . 1 . . . . A 63 ILE HG22 . 34496 1 741 . 1 . 1 63 63 ILE HG23 H 1 1.219 0.020 . 1 . . . . A 63 ILE HG23 . 34496 1 742 . 1 . 1 63 63 ILE HD11 H 1 0.815 0.020 . 1 . . . . A 63 ILE HD11 . 34496 1 743 . 1 . 1 63 63 ILE HD12 H 1 0.815 0.020 . 1 . . . . A 63 ILE HD12 . 34496 1 744 . 1 . 1 63 63 ILE HD13 H 1 0.815 0.020 . 1 . . . . A 63 ILE HD13 . 34496 1 745 . 1 . 1 63 63 ILE C C 13 175.440 0.3 . 1 . . . . A 63 ILE C . 34496 1 746 . 1 . 1 63 63 ILE CA C 13 59.941 0.3 . 1 . . . . A 63 ILE CA . 34496 1 747 . 1 . 1 63 63 ILE CB C 13 39.350 0.3 . 1 . . . . A 63 ILE CB . 34496 1 748 . 1 . 1 63 63 ILE CG1 C 13 27.299 0.3 . 1 . . . . A 63 ILE CG1 . 34496 1 749 . 1 . 1 63 63 ILE CG2 C 13 18.084 0.3 . 1 . . . . A 63 ILE CG2 . 34496 1 750 . 1 . 1 63 63 ILE CD1 C 13 13.582 0.3 . 1 . . . . A 63 ILE CD1 . 34496 1 751 . 1 . 1 63 63 ILE N N 15 125.890 0.3 . 1 . . . . A 63 ILE N . 34496 1 752 . 1 . 1 64 64 ASP H H 1 8.851 0.020 . 1 . . . . A 64 ASP H . 34496 1 753 . 1 . 1 64 64 ASP HA H 1 5.361 0.020 . 1 . . . . A 64 ASP HA . 34496 1 754 . 1 . 1 64 64 ASP HB2 H 1 3.112 0.020 . 2 . . . . A 64 ASP HB2 . 34496 1 755 . 1 . 1 64 64 ASP HB3 H 1 2.846 0.020 . 2 . . . . A 64 ASP HB3 . 34496 1 756 . 1 . 1 64 64 ASP C C 13 176.328 0.3 . 1 . . . . A 64 ASP C . 34496 1 757 . 1 . 1 64 64 ASP CA C 13 52.157 0.3 . 1 . . . . A 64 ASP CA . 34496 1 758 . 1 . 1 64 64 ASP CB C 13 42.247 0.3 . 1 . . . . A 64 ASP CB . 34496 1 759 . 1 . 1 64 64 ASP CG C 13 178.787 0.3 . 1 . . . . A 64 ASP CG . 34496 1 760 . 1 . 1 64 64 ASP N N 15 129.499 0.3 . 1 . . . . A 64 ASP N . 34496 1 761 . 1 . 1 65 65 PHE H H 1 8.925 0.020 . 1 . . . . A 65 PHE H . 34496 1 762 . 1 . 1 65 65 PHE HA H 1 4.015 0.020 . 1 . . . . A 65 PHE HA . 34496 1 763 . 1 . 1 65 65 PHE HB2 H 1 2.190 0.020 . 2 . . . . A 65 PHE HB2 . 34496 1 764 . 1 . 1 65 65 PHE HB3 H 1 2.861 0.020 . 2 . . . . A 65 PHE HB3 . 34496 1 765 . 1 . 1 65 65 PHE HD1 H 1 6.765 0.020 . 1 . . . . A 65 PHE HD1 . 34496 1 766 . 1 . 1 65 65 PHE HD2 H 1 6.765 0.020 . 1 . . . . A 65 PHE HD2 . 34496 1 767 . 1 . 1 65 65 PHE HE1 H 1 7.226 0.020 . 1 . . . . A 65 PHE HE1 . 34496 1 768 . 1 . 1 65 65 PHE HE2 H 1 7.226 0.020 . 1 . . . . A 65 PHE HE2 . 34496 1 769 . 1 . 1 65 65 PHE HZ H 1 7.361 0.020 . 1 . . . . A 65 PHE HZ . 34496 1 770 . 1 . 1 65 65 PHE C C 13 173.488 0.3 . 1 . . . . A 65 PHE C . 34496 1 771 . 1 . 1 65 65 PHE CA C 13 63.614 0.3 . 1 . . . . A 65 PHE CA . 34496 1 772 . 1 . 1 65 65 PHE CB C 13 35.960 0.3 . 1 . . . . A 65 PHE CB . 34496 1 773 . 1 . 1 65 65 PHE CD1 C 13 132.000 0.3 . 1 . . . . A 65 PHE CD1 . 34496 1 774 . 1 . 1 65 65 PHE CE1 C 13 130.794 0.3 . 1 . . . . A 65 PHE CE1 . 34496 1 775 . 1 . 1 65 65 PHE CZ C 13 129.746 0.3 . 1 . . . . A 65 PHE CZ . 34496 1 776 . 1 . 1 65 65 PHE N N 15 119.964 0.3 . 1 . . . . A 65 PHE N . 34496 1 777 . 1 . 1 66 66 PRO HA H 1 3.911 0.020 . 1 . . . . A 66 PRO HA . 34496 1 778 . 1 . 1 66 66 PRO HB2 H 1 1.943 0.020 . 2 . . . . A 66 PRO HB2 . 34496 1 779 . 1 . 1 66 66 PRO HB3 H 1 2.274 0.020 . 2 . . . . A 66 PRO HB3 . 34496 1 780 . 1 . 1 66 66 PRO HG2 H 1 2.224 0.020 . 2 . . . . A 66 PRO HG2 . 34496 1 781 . 1 . 1 66 66 PRO HG3 H 1 1.941 0.020 . 2 . . . . A 66 PRO HG3 . 34496 1 782 . 1 . 1 66 66 PRO HD2 H 1 3.817 0.020 . 2 . . . . A 66 PRO HD2 . 34496 1 783 . 1 . 1 66 66 PRO HD3 H 1 3.797 0.020 . 2 . . . . A 66 PRO HD3 . 34496 1 784 . 1 . 1 66 66 PRO C C 13 180.067 0.3 . 1 . . . . A 66 PRO C . 34496 1 785 . 1 . 1 66 66 PRO CA C 13 66.602 0.3 . 1 . . . . A 66 PRO CA . 34496 1 786 . 1 . 1 66 66 PRO CB C 13 30.602 0.3 . 1 . . . . A 66 PRO CB . 34496 1 787 . 1 . 1 66 66 PRO CG C 13 28.417 0.3 . 1 . . . . A 66 PRO CG . 34496 1 788 . 1 . 1 66 66 PRO CD C 13 49.084 0.3 . 1 . . . . A 66 PRO CD . 34496 1 789 . 1 . 1 67 67 GLU H H 1 7.942 0.020 . 1 . . . . A 67 GLU H . 34496 1 790 . 1 . 1 67 67 GLU HA H 1 4.126 0.020 . 1 . . . . A 67 GLU HA . 34496 1 791 . 1 . 1 67 67 GLU HB2 H 1 2.615 0.020 . 2 . . . . A 67 GLU HB2 . 34496 1 792 . 1 . 1 67 67 GLU HB3 H 1 2.108 0.020 . 2 . . . . A 67 GLU HB3 . 34496 1 793 . 1 . 1 67 67 GLU HG2 H 1 2.517 0.020 . 2 . . . . A 67 GLU HG2 . 34496 1 794 . 1 . 1 67 67 GLU HG3 H 1 2.943 0.020 . 2 . . . . A 67 GLU HG3 . 34496 1 795 . 1 . 1 67 67 GLU C C 13 178.856 0.3 . 1 . . . . A 67 GLU C . 34496 1 796 . 1 . 1 67 67 GLU CA C 13 58.455 0.3 . 1 . . . . A 67 GLU CA . 34496 1 797 . 1 . 1 67 67 GLU CB C 13 29.635 0.3 . 1 . . . . A 67 GLU CB . 34496 1 798 . 1 . 1 67 67 GLU CG C 13 36.925 0.3 . 1 . . . . A 67 GLU CG . 34496 1 799 . 1 . 1 67 67 GLU N N 15 118.876 0.3 . 1 . . . . A 67 GLU N . 34496 1 800 . 1 . 1 68 68 PHE H H 1 8.839 0.020 . 1 . . . . A 68 PHE H . 34496 1 801 . 1 . 1 68 68 PHE HA H 1 3.984 0.020 . 1 . . . . A 68 PHE HA . 34496 1 802 . 1 . 1 68 68 PHE HB2 H 1 3.186 0.020 . 2 . . . . A 68 PHE HB2 . 34496 1 803 . 1 . 1 68 68 PHE HB3 H 1 3.501 0.020 . 2 . . . . A 68 PHE HB3 . 34496 1 804 . 1 . 1 68 68 PHE HD1 H 1 6.968 0.020 . 1 . . . . A 68 PHE HD1 . 34496 1 805 . 1 . 1 68 68 PHE HD2 H 1 6.968 0.020 . 1 . . . . A 68 PHE HD2 . 34496 1 806 . 1 . 1 68 68 PHE HE1 H 1 7.205 0.020 . 1 . . . . A 68 PHE HE1 . 34496 1 807 . 1 . 1 68 68 PHE HE2 H 1 7.205 0.020 . 1 . . . . A 68 PHE HE2 . 34496 1 808 . 1 . 1 68 68 PHE HZ H 1 7.197 0.020 . 1 . . . . A 68 PHE HZ . 34496 1 809 . 1 . 1 68 68 PHE C C 13 176.971 0.3 . 1 . . . . A 68 PHE C . 34496 1 810 . 1 . 1 68 68 PHE CA C 13 61.256 0.3 . 1 . . . . A 68 PHE CA . 34496 1 811 . 1 . 1 68 68 PHE CB C 13 39.929 0.3 . 1 . . . . A 68 PHE CB . 34496 1 812 . 1 . 1 68 68 PHE CD1 C 13 131.867 0.3 . 1 . . . . A 68 PHE CD1 . 34496 1 813 . 1 . 1 68 68 PHE CE1 C 13 131.508 0.3 . 1 . . . . A 68 PHE CE1 . 34496 1 814 . 1 . 1 68 68 PHE CZ C 13 129.835 0.3 . 1 . . . . A 68 PHE CZ . 34496 1 815 . 1 . 1 68 68 PHE N N 15 124.694 0.3 . 1 . . . . A 68 PHE N . 34496 1 816 . 1 . 1 69 69 LEU H H 1 8.410 0.020 . 1 . . . . A 69 LEU H . 34496 1 817 . 1 . 1 69 69 LEU HA H 1 3.369 0.020 . 1 . . . . A 69 LEU HA . 34496 1 818 . 1 . 1 69 69 LEU HB2 H 1 1.535 0.020 . 2 . . . . A 69 LEU HB2 . 34496 1 819 . 1 . 1 69 69 LEU HB3 H 1 1.211 0.020 . 2 . . . . A 69 LEU HB3 . 34496 1 820 . 1 . 1 69 69 LEU HG H 1 1.069 0.020 . 1 . . . . A 69 LEU HG . 34496 1 821 . 1 . 1 69 69 LEU HD11 H 1 0.659 0.020 . 1 . . . . A 69 LEU HD11 . 34496 1 822 . 1 . 1 69 69 LEU HD12 H 1 0.659 0.020 . 1 . . . . A 69 LEU HD12 . 34496 1 823 . 1 . 1 69 69 LEU HD13 H 1 0.659 0.020 . 1 . . . . A 69 LEU HD13 . 34496 1 824 . 1 . 1 69 69 LEU HD21 H 1 0.673 0.020 . 1 . . . . A 69 LEU HD21 . 34496 1 825 . 1 . 1 69 69 LEU HD22 H 1 0.673 0.020 . 1 . . . . A 69 LEU HD22 . 34496 1 826 . 1 . 1 69 69 LEU HD23 H 1 0.673 0.020 . 1 . . . . A 69 LEU HD23 . 34496 1 827 . 1 . 1 69 69 LEU C C 13 179.132 0.3 . 1 . . . . A 69 LEU C . 34496 1 828 . 1 . 1 69 69 LEU CA C 13 57.959 0.3 . 1 . . . . A 69 LEU CA . 34496 1 829 . 1 . 1 69 69 LEU CB C 13 40.937 0.3 . 1 . . . . A 69 LEU CB . 34496 1 830 . 1 . 1 69 69 LEU CG C 13 25.601 0.3 . 1 . . . . A 69 LEU CG . 34496 1 831 . 1 . 1 69 69 LEU CD1 C 13 25.425 0.3 . 1 . . . . A 69 LEU CD1 . 34496 1 832 . 1 . 1 69 69 LEU CD2 C 13 24.129 0.3 . 1 . . . . A 69 LEU CD2 . 34496 1 833 . 1 . 1 69 69 LEU N N 15 120.263 0.3 . 1 . . . . A 69 LEU N . 34496 1 834 . 1 . 1 70 70 THR H H 1 7.539 0.020 . 1 . . . . A 70 THR H . 34496 1 835 . 1 . 1 70 70 THR HA H 1 3.813 0.020 . 1 . . . . A 70 THR HA . 34496 1 836 . 1 . 1 70 70 THR HB H 1 4.330 0.020 . 1 . . . . A 70 THR HB . 34496 1 837 . 1 . 1 70 70 THR HG21 H 1 1.234 0.020 . 1 . . . . A 70 THR HG21 . 34496 1 838 . 1 . 1 70 70 THR HG22 H 1 1.234 0.020 . 1 . . . . A 70 THR HG22 . 34496 1 839 . 1 . 1 70 70 THR HG23 H 1 1.234 0.020 . 1 . . . . A 70 THR HG23 . 34496 1 840 . 1 . 1 70 70 THR C C 13 176.136 0.3 . 1 . . . . A 70 THR C . 34496 1 841 . 1 . 1 70 70 THR CA C 13 66.413 0.3 . 1 . . . . A 70 THR CA . 34496 1 842 . 1 . 1 70 70 THR CB C 13 68.264 0.3 . 1 . . . . A 70 THR CB . 34496 1 843 . 1 . 1 70 70 THR CG2 C 13 21.990 0.3 . 1 . . . . A 70 THR CG2 . 34496 1 844 . 1 . 1 70 70 THR N N 15 116.480 0.3 . 1 . . . . A 70 THR N . 34496 1 845 . 1 . 1 71 71 MET H H 1 7.773 0.020 . 1 . . . . A 71 MET H . 34496 1 846 . 1 . 1 71 71 MET HA H 1 3.813 0.020 . 1 . . . . A 71 MET HA . 34496 1 847 . 1 . 1 71 71 MET HB2 H 1 1.992 0.020 . 2 . . . . A 71 MET HB2 . 34496 1 848 . 1 . 1 71 71 MET HB3 H 1 2.144 0.020 . 2 . . . . A 71 MET HB3 . 34496 1 849 . 1 . 1 71 71 MET HG2 H 1 2.140 0.020 . 2 . . . . A 71 MET HG2 . 34496 1 850 . 1 . 1 71 71 MET HG3 H 1 2.452 0.020 . 2 . . . . A 71 MET HG3 . 34496 1 851 . 1 . 1 71 71 MET HE1 H 1 1.813 0.020 . 1 . . . . A 71 MET HE1 . 34496 1 852 . 1 . 1 71 71 MET HE2 H 1 1.813 0.020 . 1 . . . . A 71 MET HE2 . 34496 1 853 . 1 . 1 71 71 MET HE3 H 1 1.813 0.020 . 1 . . . . A 71 MET HE3 . 34496 1 854 . 1 . 1 71 71 MET C C 13 178.154 0.3 . 1 . . . . A 71 MET C . 34496 1 855 . 1 . 1 71 71 MET CA C 13 58.995 0.3 . 1 . . . . A 71 MET CA . 34496 1 856 . 1 . 1 71 71 MET CB C 13 33.344 0.3 . 1 . . . . A 71 MET CB . 34496 1 857 . 1 . 1 71 71 MET CG C 13 31.467 0.3 . 1 . . . . A 71 MET CG . 34496 1 858 . 1 . 1 71 71 MET CE C 13 17.400 0.3 . 1 . . . . A 71 MET CE . 34496 1 859 . 1 . 1 71 71 MET N N 15 122.785 0.3 . 1 . . . . A 71 MET N . 34496 1 860 . 1 . 1 72 72 MET H H 1 8.074 0.020 . 1 . . . . A 72 MET H . 34496 1 861 . 1 . 1 72 72 MET HA H 1 4.029 0.020 . 1 . . . . A 72 MET HA . 34496 1 862 . 1 . 1 72 72 MET HB2 H 1 1.159 0.020 . 2 . . . . A 72 MET HB2 . 34496 1 863 . 1 . 1 72 72 MET HB3 H 1 1.108 0.020 . 2 . . . . A 72 MET HB3 . 34496 1 864 . 1 . 1 72 72 MET HG2 H 1 1.351 0.020 . 2 . . . . A 72 MET HG2 . 34496 1 865 . 1 . 1 72 72 MET HG3 H 1 1.306 0.020 . 2 . . . . A 72 MET HG3 . 34496 1 866 . 1 . 1 72 72 MET HE1 H 1 1.716 0.020 . 1 . . . . A 72 MET HE1 . 34496 1 867 . 1 . 1 72 72 MET HE2 H 1 1.716 0.020 . 1 . . . . A 72 MET HE2 . 34496 1 868 . 1 . 1 72 72 MET HE3 H 1 1.716 0.020 . 1 . . . . A 72 MET HE3 . 34496 1 869 . 1 . 1 72 72 MET C C 13 178.544 0.3 . 1 . . . . A 72 MET C . 34496 1 870 . 1 . 1 72 72 MET CA C 13 55.764 0.3 . 1 . . . . A 72 MET CA . 34496 1 871 . 1 . 1 72 72 MET CB C 13 30.956 0.3 . 1 . . . . A 72 MET CB . 34496 1 872 . 1 . 1 72 72 MET CG C 13 32.044 0.3 . 1 . . . . A 72 MET CG . 34496 1 873 . 1 . 1 72 72 MET CE C 13 17.417 0.3 . 1 . . . . A 72 MET CE . 34496 1 874 . 1 . 1 72 72 MET N N 15 117.933 0.3 . 1 . . . . A 72 MET N . 34496 1 875 . 1 . 1 73 73 ALA H H 1 8.190 0.020 . 1 . . . . A 73 ALA H . 34496 1 876 . 1 . 1 73 73 ALA HA H 1 4.108 0.020 . 1 . . . . A 73 ALA HA . 34496 1 877 . 1 . 1 73 73 ALA HB1 H 1 1.440 0.020 . 1 . . . . A 73 ALA HB1 . 34496 1 878 . 1 . 1 73 73 ALA HB2 H 1 1.440 0.020 . 1 . . . . A 73 ALA HB2 . 34496 1 879 . 1 . 1 73 73 ALA HB3 H 1 1.440 0.020 . 1 . . . . A 73 ALA HB3 . 34496 1 880 . 1 . 1 73 73 ALA C C 13 179.732 0.3 . 1 . . . . A 73 ALA C . 34496 1 881 . 1 . 1 73 73 ALA CA C 13 54.580 0.3 . 1 . . . . A 73 ALA CA . 34496 1 882 . 1 . 1 73 73 ALA CB C 13 18.227 0.3 . 1 . . . . A 73 ALA CB . 34496 1 883 . 1 . 1 73 73 ALA N N 15 123.261 0.3 . 1 . . . . A 73 ALA N . 34496 1 884 . 1 . 1 74 74 ARG H H 1 7.563 0.020 . 1 . . . . A 74 ARG H . 34496 1 885 . 1 . 1 74 74 ARG HA H 1 4.132 0.020 . 1 . . . . A 74 ARG HA . 34496 1 886 . 1 . 1 74 74 ARG HB2 H 1 1.861 0.020 . 2 . . . . A 74 ARG HB2 . 34496 1 887 . 1 . 1 74 74 ARG HB3 H 1 1.918 0.020 . 2 . . . . A 74 ARG HB3 . 34496 1 888 . 1 . 1 74 74 ARG HG2 H 1 1.669 0.020 . 2 . . . . A 74 ARG HG2 . 34496 1 889 . 1 . 1 74 74 ARG HG3 H 1 1.791 0.020 . 2 . . . . A 74 ARG HG3 . 34496 1 890 . 1 . 1 74 74 ARG HD2 H 1 3.131 0.020 . 1 . . . . A 74 ARG HD2 . 34496 1 891 . 1 . 1 74 74 ARG C C 13 177.807 0.3 . 1 . . . . A 74 ARG C . 34496 1 892 . 1 . 1 74 74 ARG CA C 13 58.128 0.3 . 1 . . . . A 74 ARG CA . 34496 1 893 . 1 . 1 74 74 ARG CB C 13 30.153 0.3 . 1 . . . . A 74 ARG CB . 34496 1 894 . 1 . 1 74 74 ARG CG C 13 27.404 0.3 . 1 . . . . A 74 ARG CG . 34496 1 895 . 1 . 1 74 74 ARG CD C 13 43.592 0.3 . 1 . . . . A 74 ARG CD . 34496 1 896 . 1 . 1 74 74 ARG N N 15 117.753 0.3 . 1 . . . . A 74 ARG N . 34496 1 897 . 1 . 1 75 75 LYS H H 1 7.705 0.020 . 1 . . . . A 75 LYS H . 34496 1 898 . 1 . 1 75 75 LYS HA H 1 4.258 0.020 . 1 . . . . A 75 LYS HA . 34496 1 899 . 1 . 1 75 75 LYS HB2 H 1 1.840 0.020 . 2 . . . . A 75 LYS HB2 . 34496 1 900 . 1 . 1 75 75 LYS HB3 H 1 1.928 0.020 . 2 . . . . A 75 LYS HB3 . 34496 1 901 . 1 . 1 75 75 LYS HG3 H 1 1.489 0.020 . 1 . . . . A 75 LYS HG3 . 34496 1 902 . 1 . 1 75 75 LYS HD3 H 1 1.668 0.020 . 1 . . . . A 75 LYS HD3 . 34496 1 903 . 1 . 1 75 75 LYS HE2 H 1 2.986 0.020 . 2 . . . . A 75 LYS HE2 . 34496 1 904 . 1 . 1 75 75 LYS HE3 H 1 2.933 0.020 . 2 . . . . A 75 LYS HE3 . 34496 1 905 . 1 . 1 75 75 LYS C C 13 177.617 0.3 . 1 . . . . A 75 LYS C . 34496 1 906 . 1 . 1 75 75 LYS CA C 13 57.042 0.3 . 1 . . . . A 75 LYS CA . 34496 1 907 . 1 . 1 75 75 LYS CB C 13 32.440 0.3 . 1 . . . . A 75 LYS CB . 34496 1 908 . 1 . 1 75 75 LYS CG C 13 24.568 0.3 . 1 . . . . A 75 LYS CG . 34496 1 909 . 1 . 1 75 75 LYS CD C 13 28.694 0.3 . 1 . . . . A 75 LYS CD . 34496 1 910 . 1 . 1 75 75 LYS CE C 13 42.029 0.3 . 1 . . . . A 75 LYS CE . 34496 1 911 . 1 . 1 75 75 LYS N N 15 119.769 0.3 . 1 . . . . A 75 LYS N . 34496 1 912 . 1 . 1 76 76 MET H H 1 7.871 0.020 . 1 . . . . A 76 MET H . 34496 1 913 . 1 . 1 76 76 MET HA H 1 4.405 0.020 . 1 . . . . A 76 MET HA . 34496 1 914 . 1 . 1 76 76 MET HB2 H 1 2.135 0.020 . 2 . . . . A 76 MET HB2 . 34496 1 915 . 1 . 1 76 76 MET HB3 H 1 2.220 0.020 . 2 . . . . A 76 MET HB3 . 34496 1 916 . 1 . 1 76 76 MET HG2 H 1 2.660 0.020 . 2 . . . . A 76 MET HG2 . 34496 1 917 . 1 . 1 76 76 MET HG3 H 1 2.743 0.020 . 2 . . . . A 76 MET HG3 . 34496 1 918 . 1 . 1 76 76 MET HE1 H 1 2.145 0.020 . 1 . . . . A 76 MET HE1 . 34496 1 919 . 1 . 1 76 76 MET HE2 H 1 2.145 0.020 . 1 . . . . A 76 MET HE2 . 34496 1 920 . 1 . 1 76 76 MET HE3 H 1 2.145 0.020 . 1 . . . . A 76 MET HE3 . 34496 1 921 . 1 . 1 76 76 MET C C 13 176.449 0.3 . 1 . . . . A 76 MET C . 34496 1 922 . 1 . 1 76 76 MET CA C 13 56.326 0.3 . 1 . . . . A 76 MET CA . 34496 1 923 . 1 . 1 76 76 MET CB C 13 32.854 0.3 . 1 . . . . A 76 MET CB . 34496 1 924 . 1 . 1 76 76 MET CG C 13 32.165 0.3 . 1 . . . . A 76 MET CG . 34496 1 925 . 1 . 1 76 76 MET CE C 13 17.038 0.3 . 1 . . . . A 76 MET CE . 34496 1 926 . 1 . 1 76 76 MET N N 15 119.748 0.3 . 1 . . . . A 76 MET N . 34496 1 927 . 1 . 1 77 77 LYS H H 1 7.846 0.020 . 1 . . . . A 77 LYS H . 34496 1 928 . 1 . 1 77 77 LYS HA H 1 4.354 0.020 . 1 . . . . A 77 LYS HA . 34496 1 929 . 1 . 1 77 77 LYS HB2 H 1 1.850 0.020 . 2 . . . . A 77 LYS HB2 . 34496 1 930 . 1 . 1 77 77 LYS HB3 H 1 1.910 0.020 . 2 . . . . A 77 LYS HB3 . 34496 1 931 . 1 . 1 77 77 LYS HG2 H 1 1.482 0.020 . 2 . . . . A 77 LYS HG2 . 34496 1 932 . 1 . 1 77 77 LYS HG3 H 1 1.514 0.020 . 2 . . . . A 77 LYS HG3 . 34496 1 933 . 1 . 1 77 77 LYS HD3 H 1 1.722 0.020 . 1 . . . . A 77 LYS HD3 . 34496 1 934 . 1 . 1 77 77 LYS HE2 H 1 3.023 0.020 . 1 . . . . A 77 LYS HE2 . 34496 1 935 . 1 . 1 77 77 LYS C C 13 176.436 0.3 . 1 . . . . A 77 LYS C . 34496 1 936 . 1 . 1 77 77 LYS CA C 13 56.598 0.3 . 1 . . . . A 77 LYS CA . 34496 1 937 . 1 . 1 77 77 LYS CB C 13 33.086 0.3 . 1 . . . . A 77 LYS CB . 34496 1 938 . 1 . 1 77 77 LYS CG C 13 24.531 0.3 . 1 . . . . A 77 LYS CG . 34496 1 939 . 1 . 1 77 77 LYS CD C 13 29.129 0.3 . 1 . . . . A 77 LYS CD . 34496 1 940 . 1 . 1 77 77 LYS CE C 13 42.163 0.3 . 1 . . . . A 77 LYS CE . 34496 1 941 . 1 . 1 77 77 LYS N N 15 121.867 0.3 . 1 . . . . A 77 LYS N . 34496 1 942 . 1 . 1 78 78 ASP H H 1 8.283 0.020 . 1 . . . . A 78 ASP H . 34496 1 943 . 1 . 1 78 78 ASP HA H 1 4.722 0.020 . 1 . . . . A 78 ASP HA . 34496 1 944 . 1 . 1 78 78 ASP HB2 H 1 2.700 0.020 . 2 . . . . A 78 ASP HB2 . 34496 1 945 . 1 . 1 78 78 ASP HB3 H 1 2.800 0.020 . 2 . . . . A 78 ASP HB3 . 34496 1 946 . 1 . 1 78 78 ASP C C 13 176.641 0.3 . 1 . . . . A 78 ASP C . 34496 1 947 . 1 . 1 78 78 ASP CA C 13 54.581 0.3 . 1 . . . . A 78 ASP CA . 34496 1 948 . 1 . 1 78 78 ASP CB C 13 41.189 0.3 . 1 . . . . A 78 ASP CB . 34496 1 949 . 1 . 1 78 78 ASP N N 15 122.964 0.3 . 1 . . . . A 78 ASP N . 34496 1 950 . 1 . 1 79 79 THR H H 1 8.092 0.020 . 1 . . . . A 79 THR H . 34496 1 951 . 1 . 1 79 79 THR HA H 1 4.354 0.020 . 1 . . . . A 79 THR HA . 34496 1 952 . 1 . 1 79 79 THR HB H 1 4.292 0.020 . 1 . . . . A 79 THR HB . 34496 1 953 . 1 . 1 79 79 THR HG21 H 1 1.243 0.020 . 1 . . . . A 79 THR HG21 . 34496 1 954 . 1 . 1 79 79 THR HG22 H 1 1.243 0.020 . 1 . . . . A 79 THR HG22 . 34496 1 955 . 1 . 1 79 79 THR HG23 H 1 1.243 0.020 . 1 . . . . A 79 THR HG23 . 34496 1 956 . 1 . 1 79 79 THR C C 13 174.559 0.3 . 1 . . . . A 79 THR C . 34496 1 957 . 1 . 1 79 79 THR CA C 13 62.212 0.3 . 1 . . . . A 79 THR CA . 34496 1 958 . 1 . 1 79 79 THR CB C 13 69.789 0.3 . 1 . . . . A 79 THR CB . 34496 1 959 . 1 . 1 79 79 THR CG2 C 13 21.574 0.3 . 1 . . . . A 79 THR CG2 . 34496 1 960 . 1 . 1 79 79 THR N N 15 115.660 0.3 . 1 . . . . A 79 THR N . 34496 1 961 . 1 . 1 80 80 ASP H H 1 8.435 0.020 . 1 . . . . A 80 ASP H . 34496 1 962 . 1 . 1 80 80 ASP HA H 1 4.737 0.020 . 1 . . . . A 80 ASP HA . 34496 1 963 . 1 . 1 80 80 ASP HB2 H 1 2.737 0.020 . 2 . . . . A 80 ASP HB2 . 34496 1 964 . 1 . 1 80 80 ASP HB3 H 1 2.796 0.020 . 2 . . . . A 80 ASP HB3 . 34496 1 965 . 1 . 1 80 80 ASP C C 13 176.825 0.3 . 1 . . . . A 80 ASP C . 34496 1 966 . 1 . 1 80 80 ASP CA C 13 54.601 0.3 . 1 . . . . A 80 ASP CA . 34496 1 967 . 1 . 1 80 80 ASP CB C 13 41.348 0.3 . 1 . . . . A 80 ASP CB . 34496 1 968 . 1 . 1 80 80 ASP N N 15 124.439 0.3 . 1 . . . . A 80 ASP N . 34496 1 969 . 1 . 1 81 81 SER H H 1 8.413 0.020 . 1 . . . . A 81 SER H . 34496 1 970 . 1 . 1 81 81 SER HA H 1 4.487 0.020 . 1 . . . . A 81 SER HA . 34496 1 971 . 1 . 1 81 81 SER HB2 H 1 4.072 0.020 . 2 . . . . A 81 SER HB2 . 34496 1 972 . 1 . 1 81 81 SER HB3 H 1 3.991 0.020 . 2 . . . . A 81 SER HB3 . 34496 1 973 . 1 . 1 81 81 SER C C 13 175.490 0.3 . 1 . . . . A 81 SER C . 34496 1 974 . 1 . 1 81 81 SER CA C 13 59.370 0.3 . 1 . . . . A 81 SER CA . 34496 1 975 . 1 . 1 81 81 SER CB C 13 63.761 0.3 . 1 . . . . A 81 SER CB . 34496 1 976 . 1 . 1 81 81 SER N N 15 118.350 0.3 . 1 . . . . A 81 SER N . 34496 1 977 . 1 . 1 82 82 GLU H H 1 8.501 0.020 . 1 . . . . A 82 GLU H . 34496 1 978 . 1 . 1 82 82 GLU HA H 1 4.222 0.020 . 1 . . . . A 82 GLU HA . 34496 1 979 . 1 . 1 82 82 GLU HB2 H 1 2.128 0.020 . 1 . . . . A 82 GLU HB2 . 34496 1 980 . 1 . 1 82 82 GLU HG2 H 1 2.351 0.020 . 1 . . . . A 82 GLU HG2 . 34496 1 981 . 1 . 1 82 82 GLU C C 13 177.844 0.3 . 1 . . . . A 82 GLU C . 34496 1 982 . 1 . 1 82 82 GLU CA C 13 58.526 0.3 . 1 . . . . A 82 GLU CA . 34496 1 983 . 1 . 1 82 82 GLU CB C 13 29.592 0.3 . 1 . . . . A 82 GLU CB . 34496 1 984 . 1 . 1 82 82 GLU CG C 13 36.524 0.3 . 1 . . . . A 82 GLU CG . 34496 1 985 . 1 . 1 82 82 GLU N N 15 123.750 0.3 . 1 . . . . A 82 GLU N . 34496 1 986 . 1 . 1 83 83 GLU H H 1 8.307 0.020 . 1 . . . . A 83 GLU H . 34496 1 987 . 1 . 1 83 83 GLU HA H 1 4.085 0.020 . 1 . . . . A 83 GLU HA . 34496 1 988 . 1 . 1 83 83 GLU HB2 H 1 2.119 0.020 . 1 . . . . A 83 GLU HB2 . 34496 1 989 . 1 . 1 83 83 GLU HG2 H 1 2.379 0.020 . 1 . . . . A 83 GLU HG2 . 34496 1 990 . 1 . 1 83 83 GLU C C 13 178.608 0.3 . 1 . . . . A 83 GLU C . 34496 1 991 . 1 . 1 83 83 GLU CA C 13 59.495 0.3 . 1 . . . . A 83 GLU CA . 34496 1 992 . 1 . 1 83 83 GLU CB C 13 29.410 0.3 . 1 . . . . A 83 GLU CB . 34496 1 993 . 1 . 1 83 83 GLU CG C 13 36.225 0.3 . 1 . . . . A 83 GLU CG . 34496 1 994 . 1 . 1 83 83 GLU N N 15 121.030 0.3 . 1 . . . . A 83 GLU N . 34496 1 995 . 1 . 1 84 84 GLU H H 1 8.203 0.020 . 1 . . . . A 84 GLU H . 34496 1 996 . 1 . 1 84 84 GLU HA H 1 4.183 0.020 . 1 . . . . A 84 GLU HA . 34496 1 997 . 1 . 1 84 84 GLU HB2 H 1 2.240 0.020 . 1 . . . . A 84 GLU HB2 . 34496 1 998 . 1 . 1 84 84 GLU HG2 H 1 2.387 0.020 . 1 . . . . A 84 GLU HG2 . 34496 1 999 . 1 . 1 84 84 GLU C C 13 179.606 0.3 . 1 . . . . A 84 GLU C . 34496 1 1000 . 1 . 1 84 84 GLU CA C 13 59.441 0.3 . 1 . . . . A 84 GLU CA . 34496 1 1001 . 1 . 1 84 84 GLU CB C 13 29.152 0.3 . 1 . . . . A 84 GLU CB . 34496 1 1002 . 1 . 1 84 84 GLU CG C 13 36.422 0.3 . 1 . . . . A 84 GLU CG . 34496 1 1003 . 1 . 1 84 84 GLU N N 15 120.025 0.3 . 1 . . . . A 84 GLU N . 34496 1 1004 . 1 . 1 85 85 ILE H H 1 8.005 0.020 . 1 . . . . A 85 ILE H . 34496 1 1005 . 1 . 1 85 85 ILE HA H 1 4.079 0.020 . 1 . . . . A 85 ILE HA . 34496 1 1006 . 1 . 1 85 85 ILE HB H 1 2.193 0.020 . 1 . . . . A 85 ILE HB . 34496 1 1007 . 1 . 1 85 85 ILE HG12 H 1 1.171 0.020 . 2 . . . . A 85 ILE HG12 . 34496 1 1008 . 1 . 1 85 85 ILE HG13 H 1 1.799 0.020 . 2 . . . . A 85 ILE HG13 . 34496 1 1009 . 1 . 1 85 85 ILE HG21 H 1 1.148 0.020 . 1 . . . . A 85 ILE HG21 . 34496 1 1010 . 1 . 1 85 85 ILE HG22 H 1 1.148 0.020 . 1 . . . . A 85 ILE HG22 . 34496 1 1011 . 1 . 1 85 85 ILE HG23 H 1 1.148 0.020 . 1 . . . . A 85 ILE HG23 . 34496 1 1012 . 1 . 1 85 85 ILE HD11 H 1 0.829 0.020 . 1 . . . . A 85 ILE HD11 . 34496 1 1013 . 1 . 1 85 85 ILE HD12 H 1 0.829 0.020 . 1 . . . . A 85 ILE HD12 . 34496 1 1014 . 1 . 1 85 85 ILE HD13 H 1 0.829 0.020 . 1 . . . . A 85 ILE HD13 . 34496 1 1015 . 1 . 1 85 85 ILE C C 13 177.890 0.3 . 1 . . . . A 85 ILE C . 34496 1 1016 . 1 . 1 85 85 ILE CA C 13 64.471 0.3 . 1 . . . . A 85 ILE CA . 34496 1 1017 . 1 . 1 85 85 ILE CB C 13 37.394 0.3 . 1 . . . . A 85 ILE CB . 34496 1 1018 . 1 . 1 85 85 ILE CG1 C 13 29.026 0.3 . 1 . . . . A 85 ILE CG1 . 34496 1 1019 . 1 . 1 85 85 ILE CG2 C 13 18.953 0.3 . 1 . . . . A 85 ILE CG2 . 34496 1 1020 . 1 . 1 85 85 ILE CD1 C 13 13.036 0.3 . 1 . . . . A 85 ILE CD1 . 34496 1 1021 . 1 . 1 85 85 ILE N N 15 123.110 0.3 . 1 . . . . A 85 ILE N . 34496 1 1022 . 1 . 1 86 86 ARG H H 1 8.396 0.020 . 1 . . . . A 86 ARG H . 34496 1 1023 . 1 . 1 86 86 ARG HA H 1 4.198 0.020 . 1 . . . . A 86 ARG HA . 34496 1 1024 . 1 . 1 86 86 ARG HB2 H 1 2.077 0.020 . 2 . . . . A 86 ARG HB2 . 34496 1 1025 . 1 . 1 86 86 ARG HB3 H 1 1.895 0.020 . 2 . . . . A 86 ARG HB3 . 34496 1 1026 . 1 . 1 86 86 ARG HG2 H 1 1.597 0.020 . 2 . . . . A 86 ARG HG2 . 34496 1 1027 . 1 . 1 86 86 ARG HG3 H 1 1.757 0.020 . 2 . . . . A 86 ARG HG3 . 34496 1 1028 . 1 . 1 86 86 ARG HD2 H 1 3.026 0.020 . 1 . . . . A 86 ARG HD2 . 34496 1 1029 . 1 . 1 86 86 ARG C C 13 179.367 0.3 . 1 . . . . A 86 ARG C . 34496 1 1030 . 1 . 1 86 86 ARG CA C 13 60.056 0.3 . 1 . . . . A 86 ARG CA . 34496 1 1031 . 1 . 1 86 86 ARG CB C 13 29.771 0.3 . 1 . . . . A 86 ARG CB . 34496 1 1032 . 1 . 1 86 86 ARG CG C 13 27.519 0.3 . 1 . . . . A 86 ARG CG . 34496 1 1033 . 1 . 1 86 86 ARG CD C 13 43.187 0.3 . 1 . . . . A 86 ARG CD . 34496 1 1034 . 1 . 1 86 86 ARG N N 15 123.023 0.3 . 1 . . . . A 86 ARG N . 34496 1 1035 . 1 . 1 87 87 GLU H H 1 8.128 0.020 . 1 . . . . A 87 GLU H . 34496 1 1036 . 1 . 1 87 87 GLU HA H 1 4.177 0.020 . 1 . . . . A 87 GLU HA . 34496 1 1037 . 1 . 1 87 87 GLU HB2 H 1 2.187 0.020 . 2 . . . . A 87 GLU HB2 . 34496 1 1038 . 1 . 1 87 87 GLU HB3 H 1 2.118 0.020 . 2 . . . . A 87 GLU HB3 . 34496 1 1039 . 1 . 1 87 87 GLU HG2 H 1 2.392 0.020 . 1 . . . . A 87 GLU HG2 . 34496 1 1040 . 1 . 1 87 87 GLU C C 13 178.575 0.3 . 1 . . . . A 87 GLU C . 34496 1 1041 . 1 . 1 87 87 GLU CA C 13 58.925 0.3 . 1 . . . . A 87 GLU CA . 34496 1 1042 . 1 . 1 87 87 GLU CB C 13 29.022 0.3 . 1 . . . . A 87 GLU CB . 34496 1 1043 . 1 . 1 87 87 GLU CG C 13 35.738 0.3 . 1 . . . . A 87 GLU CG . 34496 1 1044 . 1 . 1 87 87 GLU N N 15 119.887 0.3 . 1 . . . . A 87 GLU N . 34496 1 1045 . 1 . 1 88 88 ALA H H 1 7.959 0.020 . 1 . . . . A 88 ALA H . 34496 1 1046 . 1 . 1 88 88 ALA HA H 1 4.250 0.020 . 1 . . . . A 88 ALA HA . 34496 1 1047 . 1 . 1 88 88 ALA HB1 H 1 1.819 0.020 . 1 . . . . A 88 ALA HB1 . 34496 1 1048 . 1 . 1 88 88 ALA HB2 H 1 1.819 0.020 . 1 . . . . A 88 ALA HB2 . 34496 1 1049 . 1 . 1 88 88 ALA HB3 H 1 1.819 0.020 . 1 . . . . A 88 ALA HB3 . 34496 1 1050 . 1 . 1 88 88 ALA C C 13 179.288 0.3 . 1 . . . . A 88 ALA C . 34496 1 1051 . 1 . 1 88 88 ALA CA C 13 55.073 0.3 . 1 . . . . A 88 ALA CA . 34496 1 1052 . 1 . 1 88 88 ALA CB C 13 17.602 0.3 . 1 . . . . A 88 ALA CB . 34496 1 1053 . 1 . 1 88 88 ALA N N 15 123.258 0.3 . 1 . . . . A 88 ALA N . 34496 1 1054 . 1 . 1 89 89 PHE H H 1 8.561 0.020 . 1 . . . . A 89 PHE H . 34496 1 1055 . 1 . 1 89 89 PHE HA H 1 3.165 0.020 . 1 . . . . A 89 PHE HA . 34496 1 1056 . 1 . 1 89 89 PHE HB2 H 1 3.030 0.020 . 2 . . . . A 89 PHE HB2 . 34496 1 1057 . 1 . 1 89 89 PHE HB3 H 1 3.250 0.020 . 2 . . . . A 89 PHE HB3 . 34496 1 1058 . 1 . 1 89 89 PHE HD1 H 1 6.632 0.020 . 1 . . . . A 89 PHE HD1 . 34496 1 1059 . 1 . 1 89 89 PHE HD2 H 1 6.632 0.020 . 1 . . . . A 89 PHE HD2 . 34496 1 1060 . 1 . 1 89 89 PHE HE1 H 1 7.008 0.020 . 1 . . . . A 89 PHE HE1 . 34496 1 1061 . 1 . 1 89 89 PHE HE2 H 1 7.008 0.020 . 1 . . . . A 89 PHE HE2 . 34496 1 1062 . 1 . 1 89 89 PHE HZ H 1 7.057 0.020 . 1 . . . . A 89 PHE HZ . 34496 1 1063 . 1 . 1 89 89 PHE C C 13 176.459 0.3 . 1 . . . . A 89 PHE C . 34496 1 1064 . 1 . 1 89 89 PHE CA C 13 62.133 0.3 . 1 . . . . A 89 PHE CA . 34496 1 1065 . 1 . 1 89 89 PHE CB C 13 39.063 0.3 . 1 . . . . A 89 PHE CB . 34496 1 1066 . 1 . 1 89 89 PHE CD1 C 13 131.896 0.3 . 1 . . . . A 89 PHE CD1 . 34496 1 1067 . 1 . 1 89 89 PHE CE1 C 13 131.201 0.3 . 1 . . . . A 89 PHE CE1 . 34496 1 1068 . 1 . 1 89 89 PHE CZ C 13 129.373 0.3 . 1 . . . . A 89 PHE CZ . 34496 1 1069 . 1 . 1 89 89 PHE N N 15 120.048 0.3 . 1 . . . . A 89 PHE N . 34496 1 1070 . 1 . 1 90 90 ARG H H 1 7.691 0.020 . 1 . . . . A 90 ARG H . 34496 1 1071 . 1 . 1 90 90 ARG HA H 1 3.918 0.020 . 1 . . . . A 90 ARG HA . 34496 1 1072 . 1 . 1 90 90 ARG HB3 H 1 2.003 0.020 . 1 . . . . A 90 ARG HB3 . 34496 1 1073 . 1 . 1 90 90 ARG HG2 H 1 1.725 0.020 . 2 . . . . A 90 ARG HG2 . 34496 1 1074 . 1 . 1 90 90 ARG HG3 H 1 1.940 0.020 . 2 . . . . A 90 ARG HG3 . 34496 1 1075 . 1 . 1 90 90 ARG HD2 H 1 3.267 0.020 . 2 . . . . A 90 ARG HD2 . 34496 1 1076 . 1 . 1 90 90 ARG HD3 H 1 3.254 0.020 . 2 . . . . A 90 ARG HD3 . 34496 1 1077 . 1 . 1 90 90 ARG C C 13 178.242 0.3 . 1 . . . . A 90 ARG C . 34496 1 1078 . 1 . 1 90 90 ARG CA C 13 58.778 0.3 . 1 . . . . A 90 ARG CA . 34496 1 1079 . 1 . 1 90 90 ARG CB C 13 30.189 0.3 . 1 . . . . A 90 ARG CB . 34496 1 1080 . 1 . 1 90 90 ARG CG C 13 27.775 0.3 . 1 . . . . A 90 ARG CG . 34496 1 1081 . 1 . 1 90 90 ARG CD C 13 43.602 0.3 . 1 . . . . A 90 ARG CD . 34496 1 1082 . 1 . 1 90 90 ARG N N 15 116.790 0.3 . 1 . . . . A 90 ARG N . 34496 1 1083 . 1 . 1 91 91 VAL H H 1 7.577 0.020 . 1 . . . . A 91 VAL H . 34496 1 1084 . 1 . 1 91 91 VAL HA H 1 3.541 0.020 . 1 . . . . A 91 VAL HA . 34496 1 1085 . 1 . 1 91 91 VAL HB H 1 2.187 0.020 . 1 . . . . A 91 VAL HB . 34496 1 1086 . 1 . 1 91 91 VAL HG11 H 1 0.708 0.020 . 1 . . . . A 91 VAL HG11 . 34496 1 1087 . 1 . 1 91 91 VAL HG12 H 1 0.708 0.020 . 1 . . . . A 91 VAL HG12 . 34496 1 1088 . 1 . 1 91 91 VAL HG13 H 1 0.708 0.020 . 1 . . . . A 91 VAL HG13 . 34496 1 1089 . 1 . 1 91 91 VAL HG21 H 1 1.043 0.020 . 1 . . . . A 91 VAL HG21 . 34496 1 1090 . 1 . 1 91 91 VAL HG22 H 1 1.043 0.020 . 1 . . . . A 91 VAL HG22 . 34496 1 1091 . 1 . 1 91 91 VAL HG23 H 1 1.043 0.020 . 1 . . . . A 91 VAL HG23 . 34496 1 1092 . 1 . 1 91 91 VAL C C 13 177.438 0.3 . 1 . . . . A 91 VAL C . 34496 1 1093 . 1 . 1 91 91 VAL CA C 13 65.661 0.3 . 1 . . . . A 91 VAL CA . 34496 1 1094 . 1 . 1 91 91 VAL CB C 13 31.430 0.3 . 1 . . . . A 91 VAL CB . 34496 1 1095 . 1 . 1 91 91 VAL CG1 C 13 20.905 0.3 . 1 . . . . A 91 VAL CG1 . 34496 1 1096 . 1 . 1 91 91 VAL CG2 C 13 22.684 0.3 . 1 . . . . A 91 VAL CG2 . 34496 1 1097 . 1 . 1 91 91 VAL N N 15 119.577 0.3 . 1 . . . . A 91 VAL N . 34496 1 1098 . 1 . 1 92 92 PHE H H 1 7.584 0.020 . 1 . . . . A 92 PHE H . 34496 1 1099 . 1 . 1 92 92 PHE HA H 1 4.271 0.020 . 1 . . . . A 92 PHE HA . 34496 1 1100 . 1 . 1 92 92 PHE HB3 H 1 2.700 0.020 . 1 . . . . A 92 PHE HB3 . 34496 1 1101 . 1 . 1 92 92 PHE HD1 H 1 7.335 0.020 . 1 . . . . A 92 PHE HD1 . 34496 1 1102 . 1 . 1 92 92 PHE HD2 H 1 7.335 0.020 . 1 . . . . A 92 PHE HD2 . 34496 1 1103 . 1 . 1 92 92 PHE HE1 H 1 7.405 0.020 . 1 . . . . A 92 PHE HE1 . 34496 1 1104 . 1 . 1 92 92 PHE HE2 H 1 7.405 0.020 . 1 . . . . A 92 PHE HE2 . 34496 1 1105 . 1 . 1 92 92 PHE C C 13 176.996 0.3 . 1 . . . . A 92 PHE C . 34496 1 1106 . 1 . 1 92 92 PHE CA C 13 59.964 0.3 . 1 . . . . A 92 PHE CA . 34496 1 1107 . 1 . 1 92 92 PHE CB C 13 40.406 0.3 . 1 . . . . A 92 PHE CB . 34496 1 1108 . 1 . 1 92 92 PHE CD1 C 13 131.727 0.3 . 1 . . . . A 92 PHE CD1 . 34496 1 1109 . 1 . 1 92 92 PHE CE1 C 13 131.162 0.3 . 1 . . . . A 92 PHE CE1 . 34496 1 1110 . 1 . 1 92 92 PHE N N 15 117.915 0.3 . 1 . . . . A 92 PHE N . 34496 1 1111 . 1 . 1 93 93 ASP H H 1 7.835 0.020 . 1 . . . . A 93 ASP H . 34496 1 1112 . 1 . 1 93 93 ASP HA H 1 4.565 0.020 . 1 . . . . A 93 ASP HA . 34496 1 1113 . 1 . 1 93 93 ASP HB2 H 1 1.415 0.020 . 2 . . . . A 93 ASP HB2 . 34496 1 1114 . 1 . 1 93 93 ASP HB3 H 1 2.351 0.020 . 2 . . . . A 93 ASP HB3 . 34496 1 1115 . 1 . 1 93 93 ASP C C 13 177.516 0.3 . 1 . . . . A 93 ASP C . 34496 1 1116 . 1 . 1 93 93 ASP CA C 13 52.243 0.3 . 1 . . . . A 93 ASP CA . 34496 1 1117 . 1 . 1 93 93 ASP CB C 13 38.203 0.3 . 1 . . . . A 93 ASP CB . 34496 1 1118 . 1 . 1 93 93 ASP N N 15 118.134 0.3 . 1 . . . . A 93 ASP N . 34496 1 1119 . 1 . 1 94 94 LYS H H 1 7.738 0.020 . 1 . . . . A 94 LYS H . 34496 1 1120 . 1 . 1 94 94 LYS HA H 1 3.941 0.020 . 1 . . . . A 94 LYS HA . 34496 1 1121 . 1 . 1 94 94 LYS HB2 H 1 1.866 0.020 . 1 . . . . A 94 LYS HB2 . 34496 1 1122 . 1 . 1 94 94 LYS HB3 H 1 1.866 0.020 . 1 . . . . A 94 LYS HB3 . 34496 1 1123 . 1 . 1 94 94 LYS HG2 H 1 1.494 0.020 . 2 . . . . A 94 LYS HG2 . 34496 1 1124 . 1 . 1 94 94 LYS HG3 H 1 1.565 0.020 . 2 . . . . A 94 LYS HG3 . 34496 1 1125 . 1 . 1 94 94 LYS HD3 H 1 1.670 0.020 . 1 . . . . A 94 LYS HD3 . 34496 1 1126 . 1 . 1 94 94 LYS HE2 H 1 2.907 0.020 . 2 . . . . A 94 LYS HE2 . 34496 1 1127 . 1 . 1 94 94 LYS HE3 H 1 2.863 0.020 . 2 . . . . A 94 LYS HE3 . 34496 1 1128 . 1 . 1 94 94 LYS C C 13 178.312 0.3 . 1 . . . . A 94 LYS C . 34496 1 1129 . 1 . 1 94 94 LYS CA C 13 59.077 0.3 . 1 . . . . A 94 LYS CA . 34496 1 1130 . 1 . 1 94 94 LYS CB C 13 32.774 0.3 . 1 . . . . A 94 LYS CB . 34496 1 1131 . 1 . 1 94 94 LYS CG C 13 24.269 0.3 . 1 . . . . A 94 LYS CG . 34496 1 1132 . 1 . 1 94 94 LYS CD C 13 28.113 0.3 . 1 . . . . A 94 LYS CD . 34496 1 1133 . 1 . 1 94 94 LYS CE C 13 41.720 0.3 . 1 . . . . A 94 LYS CE . 34496 1 1134 . 1 . 1 94 94 LYS N N 15 127.132 0.3 . 1 . . . . A 94 LYS N . 34496 1 1135 . 1 . 1 95 95 ASP H H 1 8.240 0.020 . 1 . . . . A 95 ASP H . 34496 1 1136 . 1 . 1 95 95 ASP HA H 1 4.591 0.020 . 1 . . . . A 95 ASP HA . 34496 1 1137 . 1 . 1 95 95 ASP HB2 H 1 3.108 0.020 . 2 . . . . A 95 ASP HB2 . 34496 1 1138 . 1 . 1 95 95 ASP HB3 H 1 2.671 0.020 . 2 . . . . A 95 ASP HB3 . 34496 1 1139 . 1 . 1 95 95 ASP C C 13 177.745 0.3 . 1 . . . . A 95 ASP C . 34496 1 1140 . 1 . 1 95 95 ASP CA C 13 52.937 0.3 . 1 . . . . A 95 ASP CA . 34496 1 1141 . 1 . 1 95 95 ASP CB C 13 39.595 0.3 . 1 . . . . A 95 ASP CB . 34496 1 1142 . 1 . 1 95 95 ASP N N 15 115.345 0.3 . 1 . . . . A 95 ASP N . 34496 1 1143 . 1 . 1 96 96 GLY H H 1 7.795 0.020 . 1 . . . . A 96 GLY H . 34496 1 1144 . 1 . 1 96 96 GLY HA2 H 1 3.827 0.020 . 1 . . . . A 96 GLY HA2 . 34496 1 1145 . 1 . 1 96 96 GLY HA3 H 1 3.827 0.020 . 1 . . . . A 96 GLY HA3 . 34496 1 1146 . 1 . 1 96 96 GLY C C 13 175.131 0.3 . 1 . . . . A 96 GLY C . 34496 1 1147 . 1 . 1 96 96 GLY CA C 13 47.122 0.3 . 1 . . . . A 96 GLY CA . 34496 1 1148 . 1 . 1 96 96 GLY N N 15 110.493 0.3 . 1 . . . . A 96 GLY N . 34496 1 1149 . 1 . 1 97 97 ASN H H 1 8.344 0.020 . 1 . . . . A 97 ASN H . 34496 1 1150 . 1 . 1 97 97 ASN HA H 1 4.685 0.020 . 1 . . . . A 97 ASN HA . 34496 1 1151 . 1 . 1 97 97 ASN HB2 H 1 3.439 0.020 . 2 . . . . A 97 ASN HB2 . 34496 1 1152 . 1 . 1 97 97 ASN HB3 H 1 2.697 0.020 . 2 . . . . A 97 ASN HB3 . 34496 1 1153 . 1 . 1 97 97 ASN HD21 H 1 8.031 0.020 . 1 . . . . A 97 ASN HD21 . 34496 1 1154 . 1 . 1 97 97 ASN HD22 H 1 7.312 0.020 . 1 . . . . A 97 ASN HD22 . 34496 1 1155 . 1 . 1 97 97 ASN C C 13 176.107 0.3 . 1 . . . . A 97 ASN C . 34496 1 1156 . 1 . 1 97 97 ASN CA C 13 52.642 0.3 . 1 . . . . A 97 ASN CA . 34496 1 1157 . 1 . 1 97 97 ASN CB C 13 38.153 0.3 . 1 . . . . A 97 ASN CB . 34496 1 1158 . 1 . 1 97 97 ASN CG C 13 179.681 0.3 . 1 . . . . A 97 ASN CG . 34496 1 1159 . 1 . 1 97 97 ASN N N 15 120.705 0.3 . 1 . . . . A 97 ASN N . 34496 1 1160 . 1 . 1 97 97 ASN ND2 N 15 117.798 0.3 . 1 . . . . A 97 ASN ND2 . 34496 1 1161 . 1 . 1 98 98 GLY H H 1 10.660 0.020 . 1 . . . . A 98 GLY H . 34496 1 1162 . 1 . 1 98 98 GLY HA2 H 1 3.455 0.020 . 2 . . . . A 98 GLY HA2 . 34496 1 1163 . 1 . 1 98 98 GLY HA3 H 1 4.076 0.020 . 2 . . . . A 98 GLY HA3 . 34496 1 1164 . 1 . 1 98 98 GLY C C 13 172.426 0.3 . 1 . . . . A 98 GLY C . 34496 1 1165 . 1 . 1 98 98 GLY CA C 13 45.157 0.3 . 1 . . . . A 98 GLY CA . 34496 1 1166 . 1 . 1 98 98 GLY N N 15 114.234 0.3 . 1 . . . . A 98 GLY N . 34496 1 1167 . 1 . 1 99 99 TYR H H 1 7.633 0.020 . 1 . . . . A 99 TYR H . 34496 1 1168 . 1 . 1 99 99 TYR HA H 1 5.081 0.020 . 1 . . . . A 99 TYR HA . 34496 1 1169 . 1 . 1 99 99 TYR HB2 H 1 2.509 0.020 . 2 . . . . A 99 TYR HB2 . 34496 1 1170 . 1 . 1 99 99 TYR HB3 H 1 2.562 0.020 . 2 . . . . A 99 TYR HB3 . 34496 1 1171 . 1 . 1 99 99 TYR HD1 H 1 6.782 0.020 . 1 . . . . A 99 TYR HD1 . 34496 1 1172 . 1 . 1 99 99 TYR HD2 H 1 6.782 0.020 . 1 . . . . A 99 TYR HD2 . 34496 1 1173 . 1 . 1 99 99 TYR HE1 H 1 6.941 0.020 . 1 . . . . A 99 TYR HE1 . 34496 1 1174 . 1 . 1 99 99 TYR HE2 H 1 6.941 0.020 . 1 . . . . A 99 TYR HE2 . 34496 1 1175 . 1 . 1 99 99 TYR C C 13 174.571 0.3 . 1 . . . . A 99 TYR C . 34496 1 1176 . 1 . 1 99 99 TYR CA C 13 56.056 0.3 . 1 . . . . A 99 TYR CA . 34496 1 1177 . 1 . 1 99 99 TYR CB C 13 43.177 0.3 . 1 . . . . A 99 TYR CB . 34496 1 1178 . 1 . 1 99 99 TYR CD1 C 13 133.549 0.3 . 1 . . . . A 99 TYR CD1 . 34496 1 1179 . 1 . 1 99 99 TYR CE1 C 13 118.372 0.3 . 1 . . . . A 99 TYR CE1 . 34496 1 1180 . 1 . 1 99 99 TYR N N 15 116.962 0.3 . 1 . . . . A 99 TYR N . 34496 1 1181 . 1 . 1 100 100 ILE H H 1 10.152 0.020 . 1 . . . . A 100 ILE H . 34496 1 1182 . 1 . 1 100 100 ILE HA H 1 4.871 0.020 . 1 . . . . A 100 ILE HA . 34496 1 1183 . 1 . 1 100 100 ILE HB H 1 1.914 0.020 . 1 . . . . A 100 ILE HB . 34496 1 1184 . 1 . 1 100 100 ILE HG12 H 1 0.422 0.020 . 2 . . . . A 100 ILE HG12 . 34496 1 1185 . 1 . 1 100 100 ILE HG13 H 1 1.196 0.020 . 2 . . . . A 100 ILE HG13 . 34496 1 1186 . 1 . 1 100 100 ILE HG21 H 1 0.988 0.020 . 1 . . . . A 100 ILE HG21 . 34496 1 1187 . 1 . 1 100 100 ILE HG22 H 1 0.988 0.020 . 1 . . . . A 100 ILE HG22 . 34496 1 1188 . 1 . 1 100 100 ILE HG23 H 1 0.988 0.020 . 1 . . . . A 100 ILE HG23 . 34496 1 1189 . 1 . 1 100 100 ILE HD11 H 1 0.299 0.020 . 1 . . . . A 100 ILE HD11 . 34496 1 1190 . 1 . 1 100 100 ILE HD12 H 1 0.299 0.020 . 1 . . . . A 100 ILE HD12 . 34496 1 1191 . 1 . 1 100 100 ILE HD13 H 1 0.299 0.020 . 1 . . . . A 100 ILE HD13 . 34496 1 1192 . 1 . 1 100 100 ILE C C 13 175.587 0.3 . 1 . . . . A 100 ILE C . 34496 1 1193 . 1 . 1 100 100 ILE CA C 13 60.238 0.3 . 1 . . . . A 100 ILE CA . 34496 1 1194 . 1 . 1 100 100 ILE CB C 13 38.579 0.3 . 1 . . . . A 100 ILE CB . 34496 1 1195 . 1 . 1 100 100 ILE CG1 C 13 27.053 0.3 . 1 . . . . A 100 ILE CG1 . 34496 1 1196 . 1 . 1 100 100 ILE CG2 C 13 17.884 0.3 . 1 . . . . A 100 ILE CG2 . 34496 1 1197 . 1 . 1 100 100 ILE CD1 C 13 15.038 0.3 . 1 . . . . A 100 ILE CD1 . 34496 1 1198 . 1 . 1 100 100 ILE N N 15 128.543 0.3 . 1 . . . . A 100 ILE N . 34496 1 1199 . 1 . 1 101 101 SER H H 1 9.002 0.020 . 1 . . . . A 101 SER H . 34496 1 1200 . 1 . 1 101 101 SER HA H 1 4.876 0.020 . 1 . . . . A 101 SER HA . 34496 1 1201 . 1 . 1 101 101 SER HB2 H 1 4.459 0.020 . 2 . . . . A 101 SER HB2 . 34496 1 1202 . 1 . 1 101 101 SER HB3 H 1 4.030 0.020 . 2 . . . . A 101 SER HB3 . 34496 1 1203 . 1 . 1 101 101 SER C C 13 175.284 0.3 . 1 . . . . A 101 SER C . 34496 1 1204 . 1 . 1 101 101 SER CA C 13 55.860 0.3 . 1 . . . . A 101 SER CA . 34496 1 1205 . 1 . 1 101 101 SER CB C 13 66.583 0.3 . 1 . . . . A 101 SER CB . 34496 1 1206 . 1 . 1 101 101 SER N N 15 125.039 0.3 . 1 . . . . A 101 SER N . 34496 1 1207 . 1 . 1 102 102 ALA H H 1 9.199 0.020 . 1 . . . . A 102 ALA H . 34496 1 1208 . 1 . 1 102 102 ALA HA H 1 3.954 0.020 . 1 . . . . A 102 ALA HA . 34496 1 1209 . 1 . 1 102 102 ALA HB1 H 1 1.511 0.020 . 1 . . . . A 102 ALA HB1 . 34496 1 1210 . 1 . 1 102 102 ALA HB2 H 1 1.511 0.020 . 1 . . . . A 102 ALA HB2 . 34496 1 1211 . 1 . 1 102 102 ALA HB3 H 1 1.511 0.020 . 1 . . . . A 102 ALA HB3 . 34496 1 1212 . 1 . 1 102 102 ALA C C 13 179.338 0.3 . 1 . . . . A 102 ALA C . 34496 1 1213 . 1 . 1 102 102 ALA CA C 13 55.985 0.3 . 1 . . . . A 102 ALA CA . 34496 1 1214 . 1 . 1 102 102 ALA CB C 13 17.965 0.3 . 1 . . . . A 102 ALA CB . 34496 1 1215 . 1 . 1 102 102 ALA N N 15 124.222 0.3 . 1 . . . . A 102 ALA N . 34496 1 1216 . 1 . 1 103 103 ALA H H 1 8.226 0.020 . 1 . . . . A 103 ALA H . 34496 1 1217 . 1 . 1 103 103 ALA HA H 1 4.071 0.020 . 1 . . . . A 103 ALA HA . 34496 1 1218 . 1 . 1 103 103 ALA HB1 H 1 1.458 0.020 . 1 . . . . A 103 ALA HB1 . 34496 1 1219 . 1 . 1 103 103 ALA HB2 H 1 1.458 0.020 . 1 . . . . A 103 ALA HB2 . 34496 1 1220 . 1 . 1 103 103 ALA HB3 H 1 1.458 0.020 . 1 . . . . A 103 ALA HB3 . 34496 1 1221 . 1 . 1 103 103 ALA C C 13 181.345 0.3 . 1 . . . . A 103 ALA C . 34496 1 1222 . 1 . 1 103 103 ALA CA C 13 55.145 0.3 . 1 . . . . A 103 ALA CA . 34496 1 1223 . 1 . 1 103 103 ALA CB C 13 18.352 0.3 . 1 . . . . A 103 ALA CB . 34496 1 1224 . 1 . 1 103 103 ALA N N 15 119.511 0.3 . 1 . . . . A 103 ALA N . 34496 1 1225 . 1 . 1 104 104 GLU H H 1 7.844 0.020 . 1 . . . . A 104 GLU H . 34496 1 1226 . 1 . 1 104 104 GLU HA H 1 4.096 0.020 . 1 . . . . A 104 GLU HA . 34496 1 1227 . 1 . 1 104 104 GLU HB2 H 1 2.572 0.020 . 2 . . . . A 104 GLU HB2 . 34496 1 1228 . 1 . 1 104 104 GLU HB3 H 1 2.639 0.020 . 2 . . . . A 104 GLU HB3 . 34496 1 1229 . 1 . 1 104 104 GLU HG2 H 1 2.358 0.020 . 2 . . . . A 104 GLU HG2 . 34496 1 1230 . 1 . 1 104 104 GLU HG3 H 1 2.595 0.020 . 2 . . . . A 104 GLU HG3 . 34496 1 1231 . 1 . 1 104 104 GLU C C 13 179.310 0.3 . 1 . . . . A 104 GLU C . 34496 1 1232 . 1 . 1 104 104 GLU CA C 13 59.245 0.3 . 1 . . . . A 104 GLU CA . 34496 1 1233 . 1 . 1 104 104 GLU CB C 13 29.271 0.3 . 1 . . . . A 104 GLU CB . 34496 1 1234 . 1 . 1 104 104 GLU CG C 13 37.831 0.3 . 1 . . . . A 104 GLU CG . 34496 1 1235 . 1 . 1 104 104 GLU N N 15 120.791 0.3 . 1 . . . . A 104 GLU N . 34496 1 1236 . 1 . 1 105 105 LEU H H 1 8.607 0.020 . 1 . . . . A 105 LEU H . 34496 1 1237 . 1 . 1 105 105 LEU HA H 1 4.139 0.020 . 1 . . . . A 105 LEU HA . 34496 1 1238 . 1 . 1 105 105 LEU HB2 H 1 1.602 0.020 . 2 . . . . A 105 LEU HB2 . 34496 1 1239 . 1 . 1 105 105 LEU HB3 H 1 1.906 0.020 . 2 . . . . A 105 LEU HB3 . 34496 1 1240 . 1 . 1 105 105 LEU HG H 1 1.681 0.020 . 1 . . . . A 105 LEU HG . 34496 1 1241 . 1 . 1 105 105 LEU HD11 H 1 0.928 0.020 . 1 . . . . A 105 LEU HD11 . 34496 1 1242 . 1 . 1 105 105 LEU HD12 H 1 0.928 0.020 . 1 . . . . A 105 LEU HD12 . 34496 1 1243 . 1 . 1 105 105 LEU HD13 H 1 0.928 0.020 . 1 . . . . A 105 LEU HD13 . 34496 1 1244 . 1 . 1 105 105 LEU HD21 H 1 0.938 0.020 . 1 . . . . A 105 LEU HD21 . 34496 1 1245 . 1 . 1 105 105 LEU HD22 H 1 0.938 0.020 . 1 . . . . A 105 LEU HD22 . 34496 1 1246 . 1 . 1 105 105 LEU HD23 H 1 0.938 0.020 . 1 . . . . A 105 LEU HD23 . 34496 1 1247 . 1 . 1 105 105 LEU C C 13 178.540 0.3 . 1 . . . . A 105 LEU C . 34496 1 1248 . 1 . 1 105 105 LEU CA C 13 58.291 0.3 . 1 . . . . A 105 LEU CA . 34496 1 1249 . 1 . 1 105 105 LEU CB C 13 42.098 0.3 . 1 . . . . A 105 LEU CB . 34496 1 1250 . 1 . 1 105 105 LEU CG C 13 27.198 0.3 . 1 . . . . A 105 LEU CG . 34496 1 1251 . 1 . 1 105 105 LEU CD1 C 13 24.458 0.3 . 1 . . . . A 105 LEU CD1 . 34496 1 1252 . 1 . 1 105 105 LEU CD2 C 13 25.962 0.3 . 1 . . . . A 105 LEU CD2 . 34496 1 1253 . 1 . 1 105 105 LEU N N 15 122.253 0.3 . 1 . . . . A 105 LEU N . 34496 1 1254 . 1 . 1 106 106 ARG H H 1 8.541 0.020 . 1 . . . . A 106 ARG H . 34496 1 1255 . 1 . 1 106 106 ARG HA H 1 3.841 0.020 . 1 . . . . A 106 ARG HA . 34496 1 1256 . 1 . 1 106 106 ARG HB2 H 1 1.979 0.020 . 1 . . . . A 106 ARG HB2 . 34496 1 1257 . 1 . 1 106 106 ARG HB3 H 1 1.979 0.020 . 1 . . . . A 106 ARG HB3 . 34496 1 1258 . 1 . 1 106 106 ARG HG2 H 1 1.657 0.020 . 2 . . . . A 106 ARG HG2 . 34496 1 1259 . 1 . 1 106 106 ARG HG3 H 1 1.694 0.020 . 2 . . . . A 106 ARG HG3 . 34496 1 1260 . 1 . 1 106 106 ARG HD2 H 1 3.183 0.020 . 2 . . . . A 106 ARG HD2 . 34496 1 1261 . 1 . 1 106 106 ARG HD3 H 1 3.275 0.020 . 2 . . . . A 106 ARG HD3 . 34496 1 1262 . 1 . 1 106 106 ARG C C 13 178.675 0.3 . 1 . . . . A 106 ARG C . 34496 1 1263 . 1 . 1 106 106 ARG CA C 13 59.876 0.3 . 1 . . . . A 106 ARG CA . 34496 1 1264 . 1 . 1 106 106 ARG CB C 13 30.450 0.3 . 1 . . . . A 106 ARG CB . 34496 1 1265 . 1 . 1 106 106 ARG CG C 13 27.778 0.3 . 1 . . . . A 106 ARG CG . 34496 1 1266 . 1 . 1 106 106 ARG CD C 13 43.699 0.3 . 1 . . . . A 106 ARG CD . 34496 1 1267 . 1 . 1 106 106 ARG N N 15 118.637 0.3 . 1 . . . . A 106 ARG N . 34496 1 1268 . 1 . 1 107 107 HIS H H 1 7.911 0.020 . 1 . . . . A 107 HIS H . 34496 1 1269 . 1 . 1 107 107 HIS HA H 1 4.345 0.020 . 1 . . . . A 107 HIS HA . 34496 1 1270 . 1 . 1 107 107 HIS HB2 H 1 3.291 0.020 . 2 . . . . A 107 HIS HB2 . 34496 1 1271 . 1 . 1 107 107 HIS HB3 H 1 3.341 0.020 . 2 . . . . A 107 HIS HB3 . 34496 1 1272 . 1 . 1 107 107 HIS HD2 H 1 6.959 0.020 . 1 . . . . A 107 HIS HD2 . 34496 1 1273 . 1 . 1 107 107 HIS HE1 H 1 7.813 0.020 . 1 . . . . A 107 HIS HE1 . 34496 1 1274 . 1 . 1 107 107 HIS C C 13 177.577 0.3 . 1 . . . . A 107 HIS C . 34496 1 1275 . 1 . 1 107 107 HIS CA C 13 59.633 0.3 . 1 . . . . A 107 HIS CA . 34496 1 1276 . 1 . 1 107 107 HIS CB C 13 30.890 0.3 . 1 . . . . A 107 HIS CB . 34496 1 1277 . 1 . 1 107 107 HIS CD2 C 13 120.765 0.3 . 1 . . . . A 107 HIS CD2 . 34496 1 1278 . 1 . 1 107 107 HIS CE1 C 13 138.872 0.3 . 1 . . . . A 107 HIS CE1 . 34496 1 1279 . 1 . 1 107 107 HIS N N 15 120.075 0.3 . 1 . . . . A 107 HIS N . 34496 1 1280 . 1 . 1 108 108 VAL H H 1 7.953 0.020 . 1 . . . . A 108 VAL H . 34496 1 1281 . 1 . 1 108 108 VAL HA H 1 3.517 0.020 . 1 . . . . A 108 VAL HA . 34496 1 1282 . 1 . 1 108 108 VAL HB H 1 2.005 0.020 . 1 . . . . A 108 VAL HB . 34496 1 1283 . 1 . 1 108 108 VAL HG11 H 1 0.444 0.020 . 1 . . . . A 108 VAL HG11 . 34496 1 1284 . 1 . 1 108 108 VAL HG12 H 1 0.444 0.020 . 1 . . . . A 108 VAL HG12 . 34496 1 1285 . 1 . 1 108 108 VAL HG13 H 1 0.444 0.020 . 1 . . . . A 108 VAL HG13 . 34496 1 1286 . 1 . 1 108 108 VAL HG21 H 1 0.854 0.020 . 1 . . . . A 108 VAL HG21 . 34496 1 1287 . 1 . 1 108 108 VAL HG22 H 1 0.854 0.020 . 1 . . . . A 108 VAL HG22 . 34496 1 1288 . 1 . 1 108 108 VAL HG23 H 1 0.854 0.020 . 1 . . . . A 108 VAL HG23 . 34496 1 1289 . 1 . 1 108 108 VAL C C 13 178.110 0.3 . 1 . . . . A 108 VAL C . 34496 1 1290 . 1 . 1 108 108 VAL CA C 13 66.016 0.3 . 1 . . . . A 108 VAL CA . 34496 1 1291 . 1 . 1 108 108 VAL CB C 13 31.773 0.3 . 1 . . . . A 108 VAL CB . 34496 1 1292 . 1 . 1 108 108 VAL CG1 C 13 20.766 0.3 . 1 . . . . A 108 VAL CG1 . 34496 1 1293 . 1 . 1 108 108 VAL CG2 C 13 22.871 0.3 . 1 . . . . A 108 VAL CG2 . 34496 1 1294 . 1 . 1 108 108 VAL N N 15 119.941 0.3 . 1 . . . . A 108 VAL N . 34496 1 1295 . 1 . 1 109 109 MET H H 1 8.253 0.020 . 1 . . . . A 109 MET H . 34496 1 1296 . 1 . 1 109 109 MET HA H 1 4.370 0.020 . 1 . . . . A 109 MET HA . 34496 1 1297 . 1 . 1 109 109 MET HB2 H 1 2.192 0.020 . 2 . . . . A 109 MET HB2 . 34496 1 1298 . 1 . 1 109 109 MET HB3 H 1 2.034 0.020 . 2 . . . . A 109 MET HB3 . 34496 1 1299 . 1 . 1 109 109 MET HG2 H 1 2.794 0.020 . 2 . . . . A 109 MET HG2 . 34496 1 1300 . 1 . 1 109 109 MET HG3 H 1 2.672 0.020 . 2 . . . . A 109 MET HG3 . 34496 1 1301 . 1 . 1 109 109 MET HE1 H 1 2.092 0.020 . 1 . . . . A 109 MET HE1 . 34496 1 1302 . 1 . 1 109 109 MET HE2 H 1 2.092 0.020 . 1 . . . . A 109 MET HE2 . 34496 1 1303 . 1 . 1 109 109 MET HE3 H 1 2.092 0.020 . 1 . . . . A 109 MET HE3 . 34496 1 1304 . 1 . 1 109 109 MET C C 13 178.652 0.3 . 1 . . . . A 109 MET C . 34496 1 1305 . 1 . 1 109 109 MET CA C 13 57.540 0.3 . 1 . . . . A 109 MET CA . 34496 1 1306 . 1 . 1 109 109 MET CB C 13 31.343 0.3 . 1 . . . . A 109 MET CB . 34496 1 1307 . 1 . 1 109 109 MET CG C 13 33.065 0.3 . 1 . . . . A 109 MET CG . 34496 1 1308 . 1 . 1 109 109 MET CE C 13 17.551 0.3 . 1 . . . . A 109 MET CE . 34496 1 1309 . 1 . 1 109 109 MET N N 15 117.807 0.3 . 1 . . . . A 109 MET N . 34496 1 1310 . 1 . 1 110 110 THR H H 1 8.142 0.020 . 1 . . . . A 110 THR H . 34496 1 1311 . 1 . 1 110 110 THR HA H 1 4.224 0.020 . 1 . . . . A 110 THR HA . 34496 1 1312 . 1 . 1 110 110 THR HB H 1 4.320 0.020 . 1 . . . . A 110 THR HB . 34496 1 1313 . 1 . 1 110 110 THR HG21 H 1 1.275 0.020 . 1 . . . . A 110 THR HG21 . 34496 1 1314 . 1 . 1 110 110 THR HG22 H 1 1.275 0.020 . 1 . . . . A 110 THR HG22 . 34496 1 1315 . 1 . 1 110 110 THR HG23 H 1 1.275 0.020 . 1 . . . . A 110 THR HG23 . 34496 1 1316 . 1 . 1 110 110 THR C C 13 177.510 0.3 . 1 . . . . A 110 THR C . 34496 1 1317 . 1 . 1 110 110 THR CA C 13 65.647 0.3 . 1 . . . . A 110 THR CA . 34496 1 1318 . 1 . 1 110 110 THR CB C 13 68.977 0.3 . 1 . . . . A 110 THR CB . 34496 1 1319 . 1 . 1 110 110 THR CG2 C 13 21.481 0.3 . 1 . . . . A 110 THR CG2 . 34496 1 1320 . 1 . 1 110 110 THR N N 15 115.860 0.3 . 1 . . . . A 110 THR N . 34496 1 1321 . 1 . 1 111 111 ASN H H 1 7.923 0.020 . 1 . . . . A 111 ASN H . 34496 1 1322 . 1 . 1 111 111 ASN HA H 1 4.542 0.020 . 1 . . . . A 111 ASN HA . 34496 1 1323 . 1 . 1 111 111 ASN HB2 H 1 2.831 0.020 . 1 . . . . A 111 ASN HB2 . 34496 1 1324 . 1 . 1 111 111 ASN HB3 H 1 2.831 0.020 . 1 . . . . A 111 ASN HB3 . 34496 1 1325 . 1 . 1 111 111 ASN HD21 H 1 7.443 0.020 . 1 . . . . A 111 ASN HD21 . 34496 1 1326 . 1 . 1 111 111 ASN HD22 H 1 6.595 0.020 . 1 . . . . A 111 ASN HD22 . 34496 1 1327 . 1 . 1 111 111 ASN C C 13 176.395 0.3 . 1 . . . . A 111 ASN C . 34496 1 1328 . 1 . 1 111 111 ASN CA C 13 55.641 0.3 . 1 . . . . A 111 ASN CA . 34496 1 1329 . 1 . 1 111 111 ASN CB C 13 38.508 0.3 . 1 . . . . A 111 ASN CB . 34496 1 1330 . 1 . 1 111 111 ASN N N 15 123.260 0.3 . 1 . . . . A 111 ASN N . 34496 1 1331 . 1 . 1 111 111 ASN ND2 N 15 113.427 0.3 . 1 . . . . A 111 ASN ND2 . 34496 1 1332 . 1 . 1 112 112 LEU H H 1 7.901 0.020 . 1 . . . . A 112 LEU H . 34496 1 1333 . 1 . 1 112 112 LEU HA H 1 4.354 0.020 . 1 . . . . A 112 LEU HA . 34496 1 1334 . 1 . 1 112 112 LEU HB2 H 1 1.900 0.020 . 2 . . . . A 112 LEU HB2 . 34496 1 1335 . 1 . 1 112 112 LEU HB3 H 1 1.757 0.020 . 2 . . . . A 112 LEU HB3 . 34496 1 1336 . 1 . 1 112 112 LEU HG H 1 1.826 0.020 . 1 . . . . A 112 LEU HG . 34496 1 1337 . 1 . 1 112 112 LEU HD11 H 1 0.901 0.020 . 1 . . . . A 112 LEU HD11 . 34496 1 1338 . 1 . 1 112 112 LEU HD12 H 1 0.901 0.020 . 1 . . . . A 112 LEU HD12 . 34496 1 1339 . 1 . 1 112 112 LEU HD13 H 1 0.901 0.020 . 1 . . . . A 112 LEU HD13 . 34496 1 1340 . 1 . 1 112 112 LEU HD21 H 1 0.874 0.020 . 1 . . . . A 112 LEU HD21 . 34496 1 1341 . 1 . 1 112 112 LEU HD22 H 1 0.874 0.020 . 1 . . . . A 112 LEU HD22 . 34496 1 1342 . 1 . 1 112 112 LEU HD23 H 1 0.874 0.020 . 1 . . . . A 112 LEU HD23 . 34496 1 1343 . 1 . 1 112 112 LEU C C 13 177.470 0.3 . 1 . . . . A 112 LEU C . 34496 1 1344 . 1 . 1 112 112 LEU CA C 13 55.425 0.3 . 1 . . . . A 112 LEU CA . 34496 1 1345 . 1 . 1 112 112 LEU CB C 13 42.096 0.3 . 1 . . . . A 112 LEU CB . 34496 1 1346 . 1 . 1 112 112 LEU CG C 13 26.509 0.3 . 1 . . . . A 112 LEU CG . 34496 1 1347 . 1 . 1 112 112 LEU CD1 C 13 25.506 0.3 . 1 . . . . A 112 LEU CD1 . 34496 1 1348 . 1 . 1 112 112 LEU CD2 C 13 22.590 0.3 . 1 . . . . A 112 LEU CD2 . 34496 1 1349 . 1 . 1 112 112 LEU N N 15 120.328 0.3 . 1 . . . . A 112 LEU N . 34496 1 1350 . 1 . 1 113 113 GLY H H 1 7.875 0.020 . 1 . . . . A 113 GLY H . 34496 1 1351 . 1 . 1 113 113 GLY HA2 H 1 3.770 0.020 . 2 . . . . A 113 GLY HA2 . 34496 1 1352 . 1 . 1 113 113 GLY HA3 H 1 4.258 0.020 . 2 . . . . A 113 GLY HA3 . 34496 1 1353 . 1 . 1 113 113 GLY C C 13 174.404 0.3 . 1 . . . . A 113 GLY C . 34496 1 1354 . 1 . 1 113 113 GLY CA C 13 45.470 0.3 . 1 . . . . A 113 GLY CA . 34496 1 1355 . 1 . 1 113 113 GLY N N 15 108.067 0.3 . 1 . . . . A 113 GLY N . 34496 1 1356 . 1 . 1 114 114 GLU H H 1 7.923 0.020 . 1 . . . . A 114 GLU H . 34496 1 1357 . 1 . 1 114 114 GLU HA H 1 4.440 0.020 . 1 . . . . A 114 GLU HA . 34496 1 1358 . 1 . 1 114 114 GLU HB2 H 1 1.771 0.020 . 2 . . . . A 114 GLU HB2 . 34496 1 1359 . 1 . 1 114 114 GLU HB3 H 1 1.998 0.020 . 2 . . . . A 114 GLU HB3 . 34496 1 1360 . 1 . 1 114 114 GLU HG2 H 1 2.150 0.020 . 2 . . . . A 114 GLU HG2 . 34496 1 1361 . 1 . 1 114 114 GLU HG3 H 1 2.273 0.020 . 2 . . . . A 114 GLU HG3 . 34496 1 1362 . 1 . 1 114 114 GLU C C 13 175.627 0.3 . 1 . . . . A 114 GLU C . 34496 1 1363 . 1 . 1 114 114 GLU CA C 13 55.371 0.3 . 1 . . . . A 114 GLU CA . 34496 1 1364 . 1 . 1 114 114 GLU CB C 13 30.503 0.3 . 1 . . . . A 114 GLU CB . 34496 1 1365 . 1 . 1 114 114 GLU CG C 13 35.522 0.3 . 1 . . . . A 114 GLU CG . 34496 1 1366 . 1 . 1 114 114 GLU N N 15 121.648 0.3 . 1 . . . . A 114 GLU N . 34496 1 1367 . 1 . 1 115 115 LYS H H 1 8.525 0.020 . 1 . . . . A 115 LYS H . 34496 1 1368 . 1 . 1 115 115 LYS HA H 1 4.404 0.020 . 1 . . . . A 115 LYS HA . 34496 1 1369 . 1 . 1 115 115 LYS HB2 H 1 1.737 0.020 . 2 . . . . A 115 LYS HB2 . 34496 1 1370 . 1 . 1 115 115 LYS HB3 H 1 1.823 0.020 . 2 . . . . A 115 LYS HB3 . 34496 1 1371 . 1 . 1 115 115 LYS HG2 H 1 1.362 0.020 . 2 . . . . A 115 LYS HG2 . 34496 1 1372 . 1 . 1 115 115 LYS HG3 H 1 1.434 0.020 . 2 . . . . A 115 LYS HG3 . 34496 1 1373 . 1 . 1 115 115 LYS HD3 H 1 1.690 0.020 . 1 . . . . A 115 LYS HD3 . 34496 1 1374 . 1 . 1 115 115 LYS HE2 H 1 3.017 0.020 . 1 . . . . A 115 LYS HE2 . 34496 1 1375 . 1 . 1 115 115 LYS C C 13 175.691 0.3 . 1 . . . . A 115 LYS C . 34496 1 1376 . 1 . 1 115 115 LYS CA C 13 55.616 0.3 . 1 . . . . A 115 LYS CA . 34496 1 1377 . 1 . 1 115 115 LYS CB C 13 32.154 0.3 . 1 . . . . A 115 LYS CB . 34496 1 1378 . 1 . 1 115 115 LYS CG C 13 24.597 0.3 . 1 . . . . A 115 LYS CG . 34496 1 1379 . 1 . 1 115 115 LYS CD C 13 29.098 0.3 . 1 . . . . A 115 LYS CD . 34496 1 1380 . 1 . 1 115 115 LYS CE C 13 41.989 0.3 . 1 . . . . A 115 LYS CE . 34496 1 1381 . 1 . 1 115 115 LYS N N 15 124.787 0.3 . 1 . . . . A 115 LYS N . 34496 1 1382 . 1 . 1 116 116 LEU H H 1 8.028 0.020 . 1 . . . . A 116 LEU H . 34496 1 1383 . 1 . 1 116 116 LEU HA H 1 4.778 0.020 . 1 . . . . A 116 LEU HA . 34496 1 1384 . 1 . 1 116 116 LEU HB2 H 1 1.503 0.020 . 2 . . . . A 116 LEU HB2 . 34496 1 1385 . 1 . 1 116 116 LEU HB3 H 1 1.597 0.020 . 2 . . . . A 116 LEU HB3 . 34496 1 1386 . 1 . 1 116 116 LEU HG H 1 1.607 0.020 . 1 . . . . A 116 LEU HG . 34496 1 1387 . 1 . 1 116 116 LEU HD11 H 1 0.836 0.020 . 1 . . . . A 116 LEU HD11 . 34496 1 1388 . 1 . 1 116 116 LEU HD12 H 1 0.836 0.020 . 1 . . . . A 116 LEU HD12 . 34496 1 1389 . 1 . 1 116 116 LEU HD13 H 1 0.836 0.020 . 1 . . . . A 116 LEU HD13 . 34496 1 1390 . 1 . 1 116 116 LEU HD21 H 1 0.846 0.020 . 1 . . . . A 116 LEU HD21 . 34496 1 1391 . 1 . 1 116 116 LEU HD22 H 1 0.846 0.020 . 1 . . . . A 116 LEU HD22 . 34496 1 1392 . 1 . 1 116 116 LEU HD23 H 1 0.846 0.020 . 1 . . . . A 116 LEU HD23 . 34496 1 1393 . 1 . 1 116 116 LEU C C 13 177.988 0.3 . 1 . . . . A 116 LEU C . 34496 1 1394 . 1 . 1 116 116 LEU CA C 13 54.184 0.3 . 1 . . . . A 116 LEU CA . 34496 1 1395 . 1 . 1 116 116 LEU CB C 13 44.765 0.3 . 1 . . . . A 116 LEU CB . 34496 1 1396 . 1 . 1 116 116 LEU CG C 13 27.170 0.3 . 1 . . . . A 116 LEU CG . 34496 1 1397 . 1 . 1 116 116 LEU CD1 C 13 26.560 0.3 . 1 . . . . A 116 LEU CD1 . 34496 1 1398 . 1 . 1 116 116 LEU CD2 C 13 23.930 0.3 . 1 . . . . A 116 LEU CD2 . 34496 1 1399 . 1 . 1 116 116 LEU N N 15 125.704 0.3 . 1 . . . . A 116 LEU N . 34496 1 1400 . 1 . 1 117 117 THR H H 1 9.124 0.020 . 1 . . . . A 117 THR H . 34496 1 1401 . 1 . 1 117 117 THR HA H 1 4.501 0.020 . 1 . . . . A 117 THR HA . 34496 1 1402 . 1 . 1 117 117 THR HB H 1 4.765 0.020 . 1 . . . . A 117 THR HB . 34496 1 1403 . 1 . 1 117 117 THR HG21 H 1 1.366 0.020 . 1 . . . . A 117 THR HG21 . 34496 1 1404 . 1 . 1 117 117 THR HG22 H 1 1.366 0.020 . 1 . . . . A 117 THR HG22 . 34496 1 1405 . 1 . 1 117 117 THR HG23 H 1 1.366 0.020 . 1 . . . . A 117 THR HG23 . 34496 1 1406 . 1 . 1 117 117 THR C C 13 175.555 0.3 . 1 . . . . A 117 THR C . 34496 1 1407 . 1 . 1 117 117 THR CA C 13 60.673 0.3 . 1 . . . . A 117 THR CA . 34496 1 1408 . 1 . 1 117 117 THR CB C 13 71.268 0.3 . 1 . . . . A 117 THR CB . 34496 1 1409 . 1 . 1 117 117 THR CG2 C 13 21.740 0.3 . 1 . . . . A 117 THR CG2 . 34496 1 1410 . 1 . 1 117 117 THR N N 15 115.614 0.3 . 1 . . . . A 117 THR N . 34496 1 1411 . 1 . 1 118 118 ASP H H 1 8.857 0.020 . 1 . . . . A 118 ASP H . 34496 1 1412 . 1 . 1 118 118 ASP HA H 1 4.239 0.020 . 1 . . . . A 118 ASP HA . 34496 1 1413 . 1 . 1 118 118 ASP HB2 H 1 2.612 0.020 . 2 . . . . A 118 ASP HB2 . 34496 1 1414 . 1 . 1 118 118 ASP HB3 H 1 2.759 0.020 . 2 . . . . A 118 ASP HB3 . 34496 1 1415 . 1 . 1 118 118 ASP C C 13 178.616 0.3 . 1 . . . . A 118 ASP C . 34496 1 1416 . 1 . 1 118 118 ASP CA C 13 58.040 0.3 . 1 . . . . A 118 ASP CA . 34496 1 1417 . 1 . 1 118 118 ASP CB C 13 39.775 0.3 . 1 . . . . A 118 ASP CB . 34496 1 1418 . 1 . 1 118 118 ASP N N 15 122.202 0.3 . 1 . . . . A 118 ASP N . 34496 1 1419 . 1 . 1 119 119 GLU H H 1 8.703 0.020 . 1 . . . . A 119 GLU H . 34496 1 1420 . 1 . 1 119 119 GLU HA H 1 4.129 0.020 . 1 . . . . A 119 GLU HA . 34496 1 1421 . 1 . 1 119 119 GLU HB2 H 1 2.074 0.020 . 2 . . . . A 119 GLU HB2 . 34496 1 1422 . 1 . 1 119 119 GLU HB3 H 1 1.993 0.020 . 2 . . . . A 119 GLU HB3 . 34496 1 1423 . 1 . 1 119 119 GLU HG2 H 1 2.424 0.020 . 2 . . . . A 119 GLU HG2 . 34496 1 1424 . 1 . 1 119 119 GLU HG3 H 1 2.356 0.020 . 2 . . . . A 119 GLU HG3 . 34496 1 1425 . 1 . 1 119 119 GLU C C 13 179.214 0.3 . 1 . . . . A 119 GLU C . 34496 1 1426 . 1 . 1 119 119 GLU CA C 13 60.002 0.3 . 1 . . . . A 119 GLU CA . 34496 1 1427 . 1 . 1 119 119 GLU CB C 13 29.026 0.3 . 1 . . . . A 119 GLU CB . 34496 1 1428 . 1 . 1 119 119 GLU CG C 13 36.907 0.3 . 1 . . . . A 119 GLU CG . 34496 1 1429 . 1 . 1 119 119 GLU N N 15 120.223 0.3 . 1 . . . . A 119 GLU N . 34496 1 1430 . 1 . 1 120 120 GLU H H 1 7.751 0.020 . 1 . . . . A 120 GLU H . 34496 1 1431 . 1 . 1 120 120 GLU HA H 1 4.040 0.020 . 1 . . . . A 120 GLU HA . 34496 1 1432 . 1 . 1 120 120 GLU HB2 H 1 2.408 0.020 . 2 . . . . A 120 GLU HB2 . 34496 1 1433 . 1 . 1 120 120 GLU HB3 H 1 1.978 0.020 . 2 . . . . A 120 GLU HB3 . 34496 1 1434 . 1 . 1 120 120 GLU HG2 H 1 2.293 0.020 . 2 . . . . A 120 GLU HG2 . 34496 1 1435 . 1 . 1 120 120 GLU HG3 H 1 2.381 0.020 . 2 . . . . A 120 GLU HG3 . 34496 1 1436 . 1 . 1 120 120 GLU C C 13 180.040 0.3 . 1 . . . . A 120 GLU C . 34496 1 1437 . 1 . 1 120 120 GLU CA C 13 59.294 0.3 . 1 . . . . A 120 GLU CA . 34496 1 1438 . 1 . 1 120 120 GLU CB C 13 30.382 0.3 . 1 . . . . A 120 GLU CB . 34496 1 1439 . 1 . 1 120 120 GLU CG C 13 37.896 0.3 . 1 . . . . A 120 GLU CG . 34496 1 1440 . 1 . 1 120 120 GLU N N 15 121.713 0.3 . 1 . . . . A 120 GLU N . 34496 1 1441 . 1 . 1 121 121 VAL H H 1 8.096 0.020 . 1 . . . . A 121 VAL H . 34496 1 1442 . 1 . 1 121 121 VAL HA H 1 3.653 0.020 . 1 . . . . A 121 VAL HA . 34496 1 1443 . 1 . 1 121 121 VAL HB H 1 2.252 0.020 . 1 . . . . A 121 VAL HB . 34496 1 1444 . 1 . 1 121 121 VAL HG11 H 1 1.052 0.020 . 1 . . . . A 121 VAL HG11 . 34496 1 1445 . 1 . 1 121 121 VAL HG12 H 1 1.052 0.020 . 1 . . . . A 121 VAL HG12 . 34496 1 1446 . 1 . 1 121 121 VAL HG13 H 1 1.052 0.020 . 1 . . . . A 121 VAL HG13 . 34496 1 1447 . 1 . 1 121 121 VAL HG21 H 1 1.005 0.020 . 1 . . . . A 121 VAL HG21 . 34496 1 1448 . 1 . 1 121 121 VAL HG22 H 1 1.005 0.020 . 1 . . . . A 121 VAL HG22 . 34496 1 1449 . 1 . 1 121 121 VAL HG23 H 1 1.005 0.020 . 1 . . . . A 121 VAL HG23 . 34496 1 1450 . 1 . 1 121 121 VAL C C 13 177.260 0.3 . 1 . . . . A 121 VAL C . 34496 1 1451 . 1 . 1 121 121 VAL CA C 13 66.904 0.3 . 1 . . . . A 121 VAL CA . 34496 1 1452 . 1 . 1 121 121 VAL CB C 13 31.346 0.3 . 1 . . . . A 121 VAL CB . 34496 1 1453 . 1 . 1 121 121 VAL CG1 C 13 22.276 0.3 . 1 . . . . A 121 VAL CG1 . 34496 1 1454 . 1 . 1 121 121 VAL CG2 C 13 23.812 0.3 . 1 . . . . A 121 VAL CG2 . 34496 1 1455 . 1 . 1 121 121 VAL N N 15 122.335 0.3 . 1 . . . . A 121 VAL N . 34496 1 1456 . 1 . 1 122 122 ASP H H 1 8.051 0.020 . 1 . . . . A 122 ASP H . 34496 1 1457 . 1 . 1 122 122 ASP HA H 1 4.366 0.020 . 1 . . . . A 122 ASP HA . 34496 1 1458 . 1 . 1 122 122 ASP HB2 H 1 2.798 0.020 . 2 . . . . A 122 ASP HB2 . 34496 1 1459 . 1 . 1 122 122 ASP HB3 H 1 2.652 0.020 . 2 . . . . A 122 ASP HB3 . 34496 1 1460 . 1 . 1 122 122 ASP C C 13 179.249 0.3 . 1 . . . . A 122 ASP C . 34496 1 1461 . 1 . 1 122 122 ASP CA C 13 57.729 0.3 . 1 . . . . A 122 ASP CA . 34496 1 1462 . 1 . 1 122 122 ASP CB C 13 40.545 0.3 . 1 . . . . A 122 ASP CB . 34496 1 1463 . 1 . 1 122 122 ASP N N 15 120.993 0.3 . 1 . . . . A 122 ASP N . 34496 1 1464 . 1 . 1 123 123 GLU H H 1 7.970 0.020 . 1 . . . . A 123 GLU H . 34496 1 1465 . 1 . 1 123 123 GLU HA H 1 4.071 0.020 . 1 . . . . A 123 GLU HA . 34496 1 1466 . 1 . 1 123 123 GLU HB2 H 1 2.134 0.020 . 2 . . . . A 123 GLU HB2 . 34496 1 1467 . 1 . 1 123 123 GLU HB3 H 1 2.113 0.020 . 2 . . . . A 123 GLU HB3 . 34496 1 1468 . 1 . 1 123 123 GLU HG2 H 1 2.323 0.020 . 2 . . . . A 123 GLU HG2 . 34496 1 1469 . 1 . 1 123 123 GLU HG3 H 1 2.376 0.020 . 2 . . . . A 123 GLU HG3 . 34496 1 1470 . 1 . 1 123 123 GLU C C 13 178.015 0.3 . 1 . . . . A 123 GLU C . 34496 1 1471 . 1 . 1 123 123 GLU CA C 13 59.285 0.3 . 1 . . . . A 123 GLU CA . 34496 1 1472 . 1 . 1 123 123 GLU CB C 13 29.033 0.3 . 1 . . . . A 123 GLU CB . 34496 1 1473 . 1 . 1 123 123 GLU CG C 13 36.097 0.3 . 1 . . . . A 123 GLU CG . 34496 1 1474 . 1 . 1 123 123 GLU N N 15 120.657 0.3 . 1 . . . . A 123 GLU N . 34496 1 1475 . 1 . 1 124 124 MET H H 1 7.841 0.020 . 1 . . . . A 124 MET H . 34496 1 1476 . 1 . 1 124 124 MET HA H 1 4.079 0.020 . 1 . . . . A 124 MET HA . 34496 1 1477 . 1 . 1 124 124 MET HB2 H 1 2.311 0.020 . 2 . . . . A 124 MET HB2 . 34496 1 1478 . 1 . 1 124 124 MET HB3 H 1 2.100 0.020 . 2 . . . . A 124 MET HB3 . 34496 1 1479 . 1 . 1 124 124 MET HG2 H 1 2.505 0.020 . 2 . . . . A 124 MET HG2 . 34496 1 1480 . 1 . 1 124 124 MET HG3 H 1 2.780 0.020 . 2 . . . . A 124 MET HG3 . 34496 1 1481 . 1 . 1 124 124 MET HE1 H 1 1.921 0.020 . 1 . . . . A 124 MET HE1 . 34496 1 1482 . 1 . 1 124 124 MET HE2 H 1 1.921 0.020 . 1 . . . . A 124 MET HE2 . 34496 1 1483 . 1 . 1 124 124 MET HE3 H 1 1.921 0.020 . 1 . . . . A 124 MET HE3 . 34496 1 1484 . 1 . 1 124 124 MET C C 13 179.314 0.3 . 1 . . . . A 124 MET C . 34496 1 1485 . 1 . 1 124 124 MET CA C 13 59.327 0.3 . 1 . . . . A 124 MET CA . 34496 1 1486 . 1 . 1 124 124 MET CB C 13 33.277 0.3 . 1 . . . . A 124 MET CB . 34496 1 1487 . 1 . 1 124 124 MET CG C 13 32.313 0.3 . 1 . . . . A 124 MET CG . 34496 1 1488 . 1 . 1 124 124 MET CE C 13 17.078 0.3 . 1 . . . . A 124 MET CE . 34496 1 1489 . 1 . 1 124 124 MET N N 15 120.796 0.3 . 1 . . . . A 124 MET N . 34496 1 1490 . 1 . 1 125 125 ILE H H 1 7.982 0.020 . 1 . . . . A 125 ILE H . 34496 1 1491 . 1 . 1 125 125 ILE HA H 1 3.538 0.020 . 1 . . . . A 125 ILE HA . 34496 1 1492 . 1 . 1 125 125 ILE HB H 1 2.127 0.020 . 1 . . . . A 125 ILE HB . 34496 1 1493 . 1 . 1 125 125 ILE HG12 H 1 1.290 0.020 . 2 . . . . A 125 ILE HG12 . 34496 1 1494 . 1 . 1 125 125 ILE HG13 H 1 1.574 0.020 . 2 . . . . A 125 ILE HG13 . 34496 1 1495 . 1 . 1 125 125 ILE HG21 H 1 0.772 0.020 . 1 . . . . A 125 ILE HG21 . 34496 1 1496 . 1 . 1 125 125 ILE HG22 H 1 0.772 0.020 . 1 . . . . A 125 ILE HG22 . 34496 1 1497 . 1 . 1 125 125 ILE HG23 H 1 0.772 0.020 . 1 . . . . A 125 ILE HG23 . 34496 1 1498 . 1 . 1 125 125 ILE HD11 H 1 0.767 0.020 . 1 . . . . A 125 ILE HD11 . 34496 1 1499 . 1 . 1 125 125 ILE HD12 H 1 0.767 0.020 . 1 . . . . A 125 ILE HD12 . 34496 1 1500 . 1 . 1 125 125 ILE HD13 H 1 0.767 0.020 . 1 . . . . A 125 ILE HD13 . 34496 1 1501 . 1 . 1 125 125 ILE C C 13 177.074 0.3 . 1 . . . . A 125 ILE C . 34496 1 1502 . 1 . 1 125 125 ILE CA C 13 63.929 0.3 . 1 . . . . A 125 ILE CA . 34496 1 1503 . 1 . 1 125 125 ILE CB C 13 36.437 0.3 . 1 . . . . A 125 ILE CB . 34496 1 1504 . 1 . 1 125 125 ILE CG1 C 13 28.320 0.3 . 1 . . . . A 125 ILE CG1 . 34496 1 1505 . 1 . 1 125 125 ILE CG2 C 13 16.325 0.3 . 1 . . . . A 125 ILE CG2 . 34496 1 1506 . 1 . 1 125 125 ILE CD1 C 13 11.128 0.3 . 1 . . . . A 125 ILE CD1 . 34496 1 1507 . 1 . 1 125 125 ILE N N 15 119.630 0.3 . 1 . . . . A 125 ILE N . 34496 1 1508 . 1 . 1 126 126 ARG H H 1 8.167 0.020 . 1 . . . . A 126 ARG H . 34496 1 1509 . 1 . 1 126 126 ARG HA H 1 4.039 0.020 . 1 . . . . A 126 ARG HA . 34496 1 1510 . 1 . 1 126 126 ARG HB2 H 1 1.908 0.020 . 2 . . . . A 126 ARG HB2 . 34496 1 1511 . 1 . 1 126 126 ARG HB3 H 1 1.965 0.020 . 2 . . . . A 126 ARG HB3 . 34496 1 1512 . 1 . 1 126 126 ARG HG2 H 1 1.659 0.020 . 2 . . . . A 126 ARG HG2 . 34496 1 1513 . 1 . 1 126 126 ARG HG3 H 1 1.803 0.020 . 2 . . . . A 126 ARG HG3 . 34496 1 1514 . 1 . 1 126 126 ARG HD2 H 1 3.252 0.020 . 1 . . . . A 126 ARG HD2 . 34496 1 1515 . 1 . 1 126 126 ARG C C 13 179.374 0.3 . 1 . . . . A 126 ARG C . 34496 1 1516 . 1 . 1 126 126 ARG CA C 13 59.603 0.3 . 1 . . . . A 126 ARG CA . 34496 1 1517 . 1 . 1 126 126 ARG CB C 13 30.176 0.3 . 1 . . . . A 126 ARG CB . 34496 1 1518 . 1 . 1 126 126 ARG CG C 13 27.781 0.3 . 1 . . . . A 126 ARG CG . 34496 1 1519 . 1 . 1 126 126 ARG CD C 13 43.462 0.3 . 1 . . . . A 126 ARG CD . 34496 1 1520 . 1 . 1 126 126 ARG N N 15 119.695 0.3 . 1 . . . . A 126 ARG N . 34496 1 1521 . 1 . 1 127 127 GLU H H 1 7.952 0.020 . 1 . . . . A 127 GLU H . 34496 1 1522 . 1 . 1 127 127 GLU HA H 1 4.021 0.020 . 1 . . . . A 127 GLU HA . 34496 1 1523 . 1 . 1 127 127 GLU HB2 H 1 2.076 0.020 . 1 . . . . A 127 GLU HB2 . 34496 1 1524 . 1 . 1 127 127 GLU HB3 H 1 2.076 0.020 . 1 . . . . A 127 GLU HB3 . 34496 1 1525 . 1 . 1 127 127 GLU HG2 H 1 2.298 0.020 . 2 . . . . A 127 GLU HG2 . 34496 1 1526 . 1 . 1 127 127 GLU HG3 H 1 2.441 0.020 . 2 . . . . A 127 GLU HG3 . 34496 1 1527 . 1 . 1 127 127 GLU C C 13 177.347 0.3 . 1 . . . . A 127 GLU C . 34496 1 1528 . 1 . 1 127 127 GLU CA C 13 58.505 0.3 . 1 . . . . A 127 GLU CA . 34496 1 1529 . 1 . 1 127 127 GLU CB C 13 29.599 0.3 . 1 . . . . A 127 GLU CB . 34496 1 1530 . 1 . 1 127 127 GLU CG C 13 36.320 0.3 . 1 . . . . A 127 GLU CG . 34496 1 1531 . 1 . 1 127 127 GLU N N 15 117.258 0.3 . 1 . . . . A 127 GLU N . 34496 1 1532 . 1 . 1 128 128 ALA H H 1 7.397 0.020 . 1 . . . . A 128 ALA H . 34496 1 1533 . 1 . 1 128 128 ALA HA H 1 4.427 0.020 . 1 . . . . A 128 ALA HA . 34496 1 1534 . 1 . 1 128 128 ALA HB1 H 1 1.456 0.020 . 1 . . . . A 128 ALA HB1 . 34496 1 1535 . 1 . 1 128 128 ALA HB2 H 1 1.456 0.020 . 1 . . . . A 128 ALA HB2 . 34496 1 1536 . 1 . 1 128 128 ALA HB3 H 1 1.456 0.020 . 1 . . . . A 128 ALA HB3 . 34496 1 1537 . 1 . 1 128 128 ALA C C 13 177.826 0.3 . 1 . . . . A 128 ALA C . 34496 1 1538 . 1 . 1 128 128 ALA CA C 13 52.104 0.3 . 1 . . . . A 128 ALA CA . 34496 1 1539 . 1 . 1 128 128 ALA CB C 13 21.084 0.3 . 1 . . . . A 128 ALA CB . 34496 1 1540 . 1 . 1 128 128 ALA N N 15 120.296 0.3 . 1 . . . . A 128 ALA N . 34496 1 1541 . 1 . 1 129 129 ASP H H 1 7.862 0.020 . 1 . . . . A 129 ASP H . 34496 1 1542 . 1 . 1 129 129 ASP HA H 1 4.543 0.020 . 1 . . . . A 129 ASP HA . 34496 1 1543 . 1 . 1 129 129 ASP HB2 H 1 2.522 0.020 . 2 . . . . A 129 ASP HB2 . 34496 1 1544 . 1 . 1 129 129 ASP HB3 H 1 2.891 0.020 . 2 . . . . A 129 ASP HB3 . 34496 1 1545 . 1 . 1 129 129 ASP C C 13 176.169 0.3 . 1 . . . . A 129 ASP C . 34496 1 1546 . 1 . 1 129 129 ASP CA C 13 53.982 0.3 . 1 . . . . A 129 ASP CA . 34496 1 1547 . 1 . 1 129 129 ASP CB C 13 40.268 0.3 . 1 . . . . A 129 ASP CB . 34496 1 1548 . 1 . 1 129 129 ASP N N 15 118.606 0.3 . 1 . . . . A 129 ASP N . 34496 1 1549 . 1 . 1 130 130 ILE H H 1 8.433 0.020 . 1 . . . . A 130 ILE H . 34496 1 1550 . 1 . 1 130 130 ILE HA H 1 3.950 0.020 . 1 . . . . A 130 ILE HA . 34496 1 1551 . 1 . 1 130 130 ILE HB H 1 2.034 0.020 . 1 . . . . A 130 ILE HB . 34496 1 1552 . 1 . 1 130 130 ILE HG12 H 1 1.374 0.020 . 2 . . . . A 130 ILE HG12 . 34496 1 1553 . 1 . 1 130 130 ILE HG13 H 1 1.716 0.020 . 2 . . . . A 130 ILE HG13 . 34496 1 1554 . 1 . 1 130 130 ILE HG21 H 1 0.983 0.020 . 1 . . . . A 130 ILE HG21 . 34496 1 1555 . 1 . 1 130 130 ILE HG22 H 1 0.983 0.020 . 1 . . . . A 130 ILE HG22 . 34496 1 1556 . 1 . 1 130 130 ILE HG23 H 1 0.983 0.020 . 1 . . . . A 130 ILE HG23 . 34496 1 1557 . 1 . 1 130 130 ILE HD11 H 1 0.923 0.020 . 1 . . . . A 130 ILE HD11 . 34496 1 1558 . 1 . 1 130 130 ILE HD12 H 1 0.923 0.020 . 1 . . . . A 130 ILE HD12 . 34496 1 1559 . 1 . 1 130 130 ILE HD13 H 1 0.923 0.020 . 1 . . . . A 130 ILE HD13 . 34496 1 1560 . 1 . 1 130 130 ILE C C 13 177.926 0.3 . 1 . . . . A 130 ILE C . 34496 1 1561 . 1 . 1 130 130 ILE CA C 13 63.315 0.3 . 1 . . . . A 130 ILE CA . 34496 1 1562 . 1 . 1 130 130 ILE CB C 13 38.594 0.3 . 1 . . . . A 130 ILE CB . 34496 1 1563 . 1 . 1 130 130 ILE CG1 C 13 27.806 0.3 . 1 . . . . A 130 ILE CG1 . 34496 1 1564 . 1 . 1 130 130 ILE CG2 C 13 17.357 0.3 . 1 . . . . A 130 ILE CG2 . 34496 1 1565 . 1 . 1 130 130 ILE CD1 C 13 12.291 0.3 . 1 . . . . A 130 ILE CD1 . 34496 1 1566 . 1 . 1 130 130 ILE N N 15 128.949 0.3 . 1 . . . . A 130 ILE N . 34496 1 1567 . 1 . 1 131 131 ASP H H 1 8.316 0.020 . 1 . . . . A 131 ASP H . 34496 1 1568 . 1 . 1 131 131 ASP HA H 1 4.584 0.020 . 1 . . . . A 131 ASP HA . 34496 1 1569 . 1 . 1 131 131 ASP HB2 H 1 3.111 0.020 . 2 . . . . A 131 ASP HB2 . 34496 1 1570 . 1 . 1 131 131 ASP HB3 H 1 2.671 0.020 . 2 . . . . A 131 ASP HB3 . 34496 1 1571 . 1 . 1 131 131 ASP C C 13 178.326 0.3 . 1 . . . . A 131 ASP C . 34496 1 1572 . 1 . 1 131 131 ASP CA C 13 53.725 0.3 . 1 . . . . A 131 ASP CA . 34496 1 1573 . 1 . 1 131 131 ASP CB C 13 39.813 0.3 . 1 . . . . A 131 ASP CB . 34496 1 1574 . 1 . 1 131 131 ASP N N 15 117.990 0.3 . 1 . . . . A 131 ASP N . 34496 1 1575 . 1 . 1 132 132 GLY H H 1 7.602 0.020 . 1 . . . . A 132 GLY H . 34496 1 1576 . 1 . 1 132 132 GLY HA2 H 1 3.848 0.020 . 2 . . . . A 132 GLY HA2 . 34496 1 1577 . 1 . 1 132 132 GLY HA3 H 1 4.002 0.020 . 2 . . . . A 132 GLY HA3 . 34496 1 1578 . 1 . 1 132 132 GLY C C 13 175.314 0.3 . 1 . . . . A 132 GLY C . 34496 1 1579 . 1 . 1 132 132 GLY CA C 13 47.495 0.3 . 1 . . . . A 132 GLY CA . 34496 1 1580 . 1 . 1 132 132 GLY N N 15 109.741 0.3 . 1 . . . . A 132 GLY N . 34496 1 1581 . 1 . 1 133 133 ASP H H 1 8.365 0.020 . 1 . . . . A 133 ASP H . 34496 1 1582 . 1 . 1 133 133 ASP HA H 1 4.505 0.020 . 1 . . . . A 133 ASP HA . 34496 1 1583 . 1 . 1 133 133 ASP HB2 H 1 2.975 0.020 . 2 . . . . A 133 ASP HB2 . 34496 1 1584 . 1 . 1 133 133 ASP HB3 H 1 2.523 0.020 . 2 . . . . A 133 ASP HB3 . 34496 1 1585 . 1 . 1 133 133 ASP C C 13 177.647 0.3 . 1 . . . . A 133 ASP C . 34496 1 1586 . 1 . 1 133 133 ASP CA C 13 53.646 0.3 . 1 . . . . A 133 ASP CA . 34496 1 1587 . 1 . 1 133 133 ASP CB C 13 40.306 0.3 . 1 . . . . A 133 ASP CB . 34496 1 1588 . 1 . 1 133 133 ASP N N 15 122.004 0.3 . 1 . . . . A 133 ASP N . 34496 1 1589 . 1 . 1 134 134 GLY H H 1 10.381 0.020 . 1 . . . . A 134 GLY H . 34496 1 1590 . 1 . 1 134 134 GLY HA2 H 1 3.458 0.020 . 2 . . . . A 134 GLY HA2 . 34496 1 1591 . 1 . 1 134 134 GLY HA3 H 1 4.066 0.020 . 2 . . . . A 134 GLY HA3 . 34496 1 1592 . 1 . 1 134 134 GLY C C 13 172.905 0.3 . 1 . . . . A 134 GLY C . 34496 1 1593 . 1 . 1 134 134 GLY CA C 13 45.743 0.3 . 1 . . . . A 134 GLY CA . 34496 1 1594 . 1 . 1 134 134 GLY N N 15 114.202 0.3 . 1 . . . . A 134 GLY N . 34496 1 1595 . 1 . 1 135 135 GLN H H 1 7.986 0.020 . 1 . . . . A 135 GLN H . 34496 1 1596 . 1 . 1 135 135 GLN HA H 1 4.878 0.020 . 1 . . . . A 135 GLN HA . 34496 1 1597 . 1 . 1 135 135 GLN HB2 H 1 1.719 0.020 . 2 . . . . A 135 GLN HB2 . 34496 1 1598 . 1 . 1 135 135 GLN HB3 H 1 2.008 0.020 . 2 . . . . A 135 GLN HB3 . 34496 1 1599 . 1 . 1 135 135 GLN HG2 H 1 1.970 0.020 . 1 . . . . A 135 GLN HG2 . 34496 1 1600 . 1 . 1 135 135 GLN HE21 H 1 6.491 0.020 . 1 . . . . A 135 GLN HE21 . 34496 1 1601 . 1 . 1 135 135 GLN HE22 H 1 5.897 0.020 . 1 . . . . A 135 GLN HE22 . 34496 1 1602 . 1 . 1 135 135 GLN C C 13 174.721 0.3 . 1 . . . . A 135 GLN C . 34496 1 1603 . 1 . 1 135 135 GLN CA C 13 53.109 0.3 . 1 . . . . A 135 GLN CA . 34496 1 1604 . 1 . 1 135 135 GLN CB C 13 31.944 0.3 . 1 . . . . A 135 GLN CB . 34496 1 1605 . 1 . 1 135 135 GLN CG C 13 32.913 0.3 . 1 . . . . A 135 GLN CG . 34496 1 1606 . 1 . 1 135 135 GLN CD C 13 178.884 0.3 . 1 . . . . A 135 GLN CD . 34496 1 1607 . 1 . 1 135 135 GLN N N 15 116.655 0.3 . 1 . . . . A 135 GLN N . 34496 1 1608 . 1 . 1 135 135 GLN NE2 N 15 110.259 0.3 . 1 . . . . A 135 GLN NE2 . 34496 1 1609 . 1 . 1 136 136 VAL H H 1 9.162 0.020 . 1 . . . . A 136 VAL H . 34496 1 1610 . 1 . 1 136 136 VAL HA H 1 5.232 0.020 . 1 . . . . A 136 VAL HA . 34496 1 1611 . 1 . 1 136 136 VAL HB H 1 2.335 0.020 . 1 . . . . A 136 VAL HB . 34496 1 1612 . 1 . 1 136 136 VAL HG11 H 1 1.303 0.020 . 1 . . . . A 136 VAL HG11 . 34496 1 1613 . 1 . 1 136 136 VAL HG12 H 1 1.303 0.020 . 1 . . . . A 136 VAL HG12 . 34496 1 1614 . 1 . 1 136 136 VAL HG13 H 1 1.303 0.020 . 1 . . . . A 136 VAL HG13 . 34496 1 1615 . 1 . 1 136 136 VAL HG21 H 1 0.938 0.020 . 1 . . . . A 136 VAL HG21 . 34496 1 1616 . 1 . 1 136 136 VAL HG22 H 1 0.938 0.020 . 1 . . . . A 136 VAL HG22 . 34496 1 1617 . 1 . 1 136 136 VAL HG23 H 1 0.938 0.020 . 1 . . . . A 136 VAL HG23 . 34496 1 1618 . 1 . 1 136 136 VAL C C 13 175.859 0.3 . 1 . . . . A 136 VAL C . 34496 1 1619 . 1 . 1 136 136 VAL CA C 13 61.734 0.3 . 1 . . . . A 136 VAL CA . 34496 1 1620 . 1 . 1 136 136 VAL CB C 13 33.669 0.3 . 1 . . . . A 136 VAL CB . 34496 1 1621 . 1 . 1 136 136 VAL CG1 C 13 22.140 0.3 . 1 . . . . A 136 VAL CG1 . 34496 1 1622 . 1 . 1 136 136 VAL CG2 C 13 22.304 0.3 . 1 . . . . A 136 VAL CG2 . 34496 1 1623 . 1 . 1 136 136 VAL N N 15 126.624 0.3 . 1 . . . . A 136 VAL N . 34496 1 1624 . 1 . 1 137 137 ASN H H 1 9.572 0.020 . 1 . . . . A 137 ASN H . 34496 1 1625 . 1 . 1 137 137 ASN HA H 1 5.241 0.020 . 1 . . . . A 137 ASN HA . 34496 1 1626 . 1 . 1 137 137 ASN HB2 H 1 3.355 0.020 . 2 . . . . A 137 ASN HB2 . 34496 1 1627 . 1 . 1 137 137 ASN HB3 H 1 3.280 0.020 . 2 . . . . A 137 ASN HB3 . 34496 1 1628 . 1 . 1 137 137 ASN HD21 H 1 7.237 0.020 . 1 . . . . A 137 ASN HD21 . 34496 1 1629 . 1 . 1 137 137 ASN HD22 H 1 6.852 0.020 . 1 . . . . A 137 ASN HD22 . 34496 1 1630 . 1 . 1 137 137 ASN C C 13 174.942 0.3 . 1 . . . . A 137 ASN C . 34496 1 1631 . 1 . 1 137 137 ASN CA C 13 51.094 0.3 . 1 . . . . A 137 ASN CA . 34496 1 1632 . 1 . 1 137 137 ASN CB C 13 38.261 0.3 . 1 . . . . A 137 ASN CB . 34496 1 1633 . 1 . 1 137 137 ASN CG C 13 175.288 0.3 . 1 . . . . A 137 ASN CG . 34496 1 1634 . 1 . 1 137 137 ASN N N 15 130.230 0.3 . 1 . . . . A 137 ASN N . 34496 1 1635 . 1 . 1 137 137 ASN ND2 N 15 110.098 0.3 . 1 . . . . A 137 ASN ND2 . 34496 1 1636 . 1 . 1 138 138 TYR H H 1 8.462 0.020 . 1 . . . . A 138 TYR H . 34496 1 1637 . 1 . 1 138 138 TYR HA H 1 3.482 0.020 . 1 . . . . A 138 TYR HA . 34496 1 1638 . 1 . 1 138 138 TYR HB2 H 1 2.124 0.020 . 2 . . . . A 138 TYR HB2 . 34496 1 1639 . 1 . 1 138 138 TYR HB3 H 1 2.438 0.020 . 2 . . . . A 138 TYR HB3 . 34496 1 1640 . 1 . 1 138 138 TYR HD1 H 1 6.318 0.020 . 1 . . . . A 138 TYR HD1 . 34496 1 1641 . 1 . 1 138 138 TYR HD2 H 1 6.318 0.020 . 1 . . . . A 138 TYR HD2 . 34496 1 1642 . 1 . 1 138 138 TYR HE1 H 1 6.536 0.020 . 1 . . . . A 138 TYR HE1 . 34496 1 1643 . 1 . 1 138 138 TYR HE2 H 1 6.536 0.020 . 1 . . . . A 138 TYR HE2 . 34496 1 1644 . 1 . 1 138 138 TYR C C 13 176.091 0.3 . 1 . . . . A 138 TYR C . 34496 1 1645 . 1 . 1 138 138 TYR CA C 13 62.859 0.3 . 1 . . . . A 138 TYR CA . 34496 1 1646 . 1 . 1 138 138 TYR CB C 13 37.611 0.3 . 1 . . . . A 138 TYR CB . 34496 1 1647 . 1 . 1 138 138 TYR CD1 C 13 132.543 0.3 . 1 . . . . A 138 TYR CD1 . 34496 1 1648 . 1 . 1 138 138 TYR CE1 C 13 118.110 0.3 . 1 . . . . A 138 TYR CE1 . 34496 1 1649 . 1 . 1 138 138 TYR N N 15 119.587 0.3 . 1 . . . . A 138 TYR N . 34496 1 1650 . 1 . 1 139 139 GLU H H 1 8.107 0.020 . 1 . . . . A 139 GLU H . 34496 1 1651 . 1 . 1 139 139 GLU HA H 1 3.684 0.020 . 1 . . . . A 139 GLU HA . 34496 1 1652 . 1 . 1 139 139 GLU HB2 H 1 2.132 0.020 . 2 . . . . A 139 GLU HB2 . 34496 1 1653 . 1 . 1 139 139 GLU HB3 H 1 2.011 0.020 . 2 . . . . A 139 GLU HB3 . 34496 1 1654 . 1 . 1 139 139 GLU HG2 H 1 2.410 0.020 . 2 . . . . A 139 GLU HG2 . 34496 1 1655 . 1 . 1 139 139 GLU HG3 H 1 2.331 0.020 . 2 . . . . A 139 GLU HG3 . 34496 1 1656 . 1 . 1 139 139 GLU C C 13 180.618 0.3 . 1 . . . . A 139 GLU C . 34496 1 1657 . 1 . 1 139 139 GLU CA C 13 60.486 0.3 . 1 . . . . A 139 GLU CA . 34496 1 1658 . 1 . 1 139 139 GLU CB C 13 28.994 0.3 . 1 . . . . A 139 GLU CB . 34496 1 1659 . 1 . 1 139 139 GLU CG C 13 37.229 0.3 . 1 . . . . A 139 GLU CG . 34496 1 1660 . 1 . 1 139 139 GLU N N 15 119.553 0.3 . 1 . . . . A 139 GLU N . 34496 1 1661 . 1 . 1 140 140 GLU H H 1 8.752 0.020 . 1 . . . . A 140 GLU H . 34496 1 1662 . 1 . 1 140 140 GLU HA H 1 4.073 0.020 . 1 . . . . A 140 GLU HA . 34496 1 1663 . 1 . 1 140 140 GLU HB2 H 1 2.600 0.020 . 2 . . . . A 140 GLU HB2 . 34496 1 1664 . 1 . 1 140 140 GLU HB3 H 1 2.255 0.020 . 2 . . . . A 140 GLU HB3 . 34496 1 1665 . 1 . 1 140 140 GLU HG2 H 1 2.502 0.020 . 2 . . . . A 140 GLU HG2 . 34496 1 1666 . 1 . 1 140 140 GLU HG3 H 1 2.889 0.020 . 2 . . . . A 140 GLU HG3 . 34496 1 1667 . 1 . 1 140 140 GLU C C 13 179.347 0.3 . 1 . . . . A 140 GLU C . 34496 1 1668 . 1 . 1 140 140 GLU CA C 13 58.511 0.3 . 1 . . . . A 140 GLU CA . 34496 1 1669 . 1 . 1 140 140 GLU CB C 13 29.806 0.3 . 1 . . . . A 140 GLU CB . 34496 1 1670 . 1 . 1 140 140 GLU CG C 13 36.941 0.3 . 1 . . . . A 140 GLU CG . 34496 1 1671 . 1 . 1 140 140 GLU N N 15 121.010 0.3 . 1 . . . . A 140 GLU N . 34496 1 1672 . 1 . 1 141 141 PHE H H 1 8.989 0.020 . 1 . . . . A 141 PHE H . 34496 1 1673 . 1 . 1 141 141 PHE HA H 1 4.033 0.020 . 1 . . . . A 141 PHE HA . 34496 1 1674 . 1 . 1 141 141 PHE HB2 H 1 3.226 0.020 . 2 . . . . A 141 PHE HB2 . 34496 1 1675 . 1 . 1 141 141 PHE HB3 H 1 3.420 0.020 . 2 . . . . A 141 PHE HB3 . 34496 1 1676 . 1 . 1 141 141 PHE HD1 H 1 6.955 0.020 . 1 . . . . A 141 PHE HD1 . 34496 1 1677 . 1 . 1 141 141 PHE HD2 H 1 6.955 0.020 . 1 . . . . A 141 PHE HD2 . 34496 1 1678 . 1 . 1 141 141 PHE HE1 H 1 7.147 0.020 . 1 . . . . A 141 PHE HE1 . 34496 1 1679 . 1 . 1 141 141 PHE HE2 H 1 7.147 0.020 . 1 . . . . A 141 PHE HE2 . 34496 1 1680 . 1 . 1 141 141 PHE HZ H 1 7.005 0.020 . 1 . . . . A 141 PHE HZ . 34496 1 1681 . 1 . 1 141 141 PHE C C 13 176.815 0.3 . 1 . . . . A 141 PHE C . 34496 1 1682 . 1 . 1 141 141 PHE CA C 13 61.557 0.3 . 1 . . . . A 141 PHE CA . 34496 1 1683 . 1 . 1 141 141 PHE CB C 13 39.782 0.3 . 1 . . . . A 141 PHE CB . 34496 1 1684 . 1 . 1 141 141 PHE CD1 C 13 132.229 0.3 . 1 . . . . A 141 PHE CD1 . 34496 1 1685 . 1 . 1 141 141 PHE CE1 C 13 131.611 0.3 . 1 . . . . A 141 PHE CE1 . 34496 1 1686 . 1 . 1 141 141 PHE CZ C 13 129.763 0.3 . 1 . . . . A 141 PHE CZ . 34496 1 1687 . 1 . 1 141 141 PHE N N 15 125.868 0.3 . 1 . . . . A 141 PHE N . 34496 1 1688 . 1 . 1 142 142 VAL H H 1 8.522 0.020 . 1 . . . . A 142 VAL H . 34496 1 1689 . 1 . 1 142 142 VAL HA H 1 3.163 0.020 . 1 . . . . A 142 VAL HA . 34496 1 1690 . 1 . 1 142 142 VAL HB H 1 1.914 0.020 . 1 . . . . A 142 VAL HB . 34496 1 1691 . 1 . 1 142 142 VAL HG11 H 1 0.778 0.020 . 1 . . . . A 142 VAL HG11 . 34496 1 1692 . 1 . 1 142 142 VAL HG12 H 1 0.778 0.020 . 1 . . . . A 142 VAL HG12 . 34496 1 1693 . 1 . 1 142 142 VAL HG13 H 1 0.778 0.020 . 1 . . . . A 142 VAL HG13 . 34496 1 1694 . 1 . 1 142 142 VAL HG21 H 1 0.565 0.020 . 1 . . . . A 142 VAL HG21 . 34496 1 1695 . 1 . 1 142 142 VAL HG22 H 1 0.565 0.020 . 1 . . . . A 142 VAL HG22 . 34496 1 1696 . 1 . 1 142 142 VAL HG23 H 1 0.565 0.020 . 1 . . . . A 142 VAL HG23 . 34496 1 1697 . 1 . 1 142 142 VAL C C 13 179.516 0.3 . 1 . . . . A 142 VAL C . 34496 1 1698 . 1 . 1 142 142 VAL CA C 13 67.030 0.3 . 1 . . . . A 142 VAL CA . 34496 1 1699 . 1 . 1 142 142 VAL CB C 13 31.590 0.3 . 1 . . . . A 142 VAL CB . 34496 1 1700 . 1 . 1 142 142 VAL CG1 C 13 21.244 0.3 . 1 . . . . A 142 VAL CG1 . 34496 1 1701 . 1 . 1 142 142 VAL CG2 C 13 22.814 0.3 . 1 . . . . A 142 VAL CG2 . 34496 1 1702 . 1 . 1 142 142 VAL N N 15 120.603 0.3 . 1 . . . . A 142 VAL N . 34496 1 1703 . 1 . 1 143 143 GLN H H 1 7.385 0.020 . 1 . . . . A 143 GLN H . 34496 1 1704 . 1 . 1 143 143 GLN HA H 1 3.927 0.020 . 1 . . . . A 143 GLN HA . 34496 1 1705 . 1 . 1 143 143 GLN HB2 H 1 2.192 0.020 . 2 . . . . A 143 GLN HB2 . 34496 1 1706 . 1 . 1 143 143 GLN HB3 H 1 2.141 0.020 . 2 . . . . A 143 GLN HB3 . 34496 1 1707 . 1 . 1 143 143 GLN HG2 H 1 2.424 0.020 . 2 . . . . A 143 GLN HG2 . 34496 1 1708 . 1 . 1 143 143 GLN HG3 H 1 2.456 0.020 . 2 . . . . A 143 GLN HG3 . 34496 1 1709 . 1 . 1 143 143 GLN HE21 H 1 7.447 0.020 . 1 . . . . A 143 GLN HE21 . 34496 1 1710 . 1 . 1 143 143 GLN HE22 H 1 6.744 0.020 . 1 . . . . A 143 GLN HE22 . 34496 1 1711 . 1 . 1 143 143 GLN C C 13 177.891 0.3 . 1 . . . . A 143 GLN C . 34496 1 1712 . 1 . 1 143 143 GLN CA C 13 58.796 0.3 . 1 . . . . A 143 GLN CA . 34496 1 1713 . 1 . 1 143 143 GLN CB C 13 28.076 0.3 . 1 . . . . A 143 GLN CB . 34496 1 1714 . 1 . 1 143 143 GLN CG C 13 33.906 0.3 . 1 . . . . A 143 GLN CG . 34496 1 1715 . 1 . 1 143 143 GLN N N 15 119.248 0.3 . 1 . . . . A 143 GLN N . 34496 1 1716 . 1 . 1 143 143 GLN NE2 N 15 113.449 0.3 . 1 . . . . A 143 GLN NE2 . 34496 1 1717 . 1 . 1 144 144 MET H H 1 7.977 0.020 . 1 . . . . A 144 MET H . 34496 1 1718 . 1 . 1 144 144 MET HA H 1 4.123 0.020 . 1 . . . . A 144 MET HA . 34496 1 1719 . 1 . 1 144 144 MET HB2 H 1 2.115 0.020 . 1 . . . . A 144 MET HB2 . 34496 1 1720 . 1 . 1 144 144 MET HB3 H 1 2.115 0.020 . 1 . . . . A 144 MET HB3 . 34496 1 1721 . 1 . 1 144 144 MET HG2 H 1 2.371 0.020 . 2 . . . . A 144 MET HG2 . 34496 1 1722 . 1 . 1 144 144 MET HG3 H 1 2.564 0.020 . 2 . . . . A 144 MET HG3 . 34496 1 1723 . 1 . 1 144 144 MET HE1 H 1 2.060 0.020 . 1 . . . . A 144 MET HE1 . 34496 1 1724 . 1 . 1 144 144 MET HE2 H 1 2.060 0.020 . 1 . . . . A 144 MET HE2 . 34496 1 1725 . 1 . 1 144 144 MET HE3 H 1 2.060 0.020 . 1 . . . . A 144 MET HE3 . 34496 1 1726 . 1 . 1 144 144 MET C C 13 177.964 0.3 . 1 . . . . A 144 MET C . 34496 1 1727 . 1 . 1 144 144 MET CA C 13 58.395 0.3 . 1 . . . . A 144 MET CA . 34496 1 1728 . 1 . 1 144 144 MET CB C 13 33.456 0.3 . 1 . . . . A 144 MET CB . 34496 1 1729 . 1 . 1 144 144 MET CG C 13 31.370 0.3 . 1 . . . . A 144 MET CG . 34496 1 1730 . 1 . 1 144 144 MET CE C 13 17.277 0.3 . 1 . . . . A 144 MET CE . 34496 1 1731 . 1 . 1 144 144 MET N N 15 120.844 0.3 . 1 . . . . A 144 MET N . 34496 1 1732 . 1 . 1 145 145 MET H H 1 7.867 0.020 . 1 . . . . A 145 MET H . 34496 1 1733 . 1 . 1 145 145 MET HA H 1 4.337 0.020 . 1 . . . . A 145 MET HA . 34496 1 1734 . 1 . 1 145 145 MET HB2 H 1 1.685 0.020 . 1 . . . . A 145 MET HB2 . 34496 1 1735 . 1 . 1 145 145 MET HB3 H 1 1.685 0.020 . 1 . . . . A 145 MET HB3 . 34496 1 1736 . 1 . 1 145 145 MET HG2 H 1 1.732 0.020 . 1 . . . . A 145 MET HG2 . 34496 1 1737 . 1 . 1 145 145 MET HE1 H 1 1.877 0.020 . 1 . . . . A 145 MET HE1 . 34496 1 1738 . 1 . 1 145 145 MET HE2 H 1 1.877 0.020 . 1 . . . . A 145 MET HE2 . 34496 1 1739 . 1 . 1 145 145 MET HE3 H 1 1.877 0.020 . 1 . . . . A 145 MET HE3 . 34496 1 1740 . 1 . 1 145 145 MET C C 13 177.575 0.3 . 1 . . . . A 145 MET C . 34496 1 1741 . 1 . 1 145 145 MET CA C 13 55.278 0.3 . 1 . . . . A 145 MET CA . 34496 1 1742 . 1 . 1 145 145 MET CB C 13 32.120 0.3 . 1 . . . . A 145 MET CB . 34496 1 1743 . 1 . 1 145 145 MET CG C 13 32.104 0.3 . 1 . . . . A 145 MET CG . 34496 1 1744 . 1 . 1 145 145 MET CE C 13 16.996 0.3 . 1 . . . . A 145 MET CE . 34496 1 1745 . 1 . 1 145 145 MET N N 15 116.001 0.3 . 1 . . . . A 145 MET N . 34496 1 1746 . 1 . 1 146 146 THR H H 1 7.608 0.020 . 1 . . . . A 146 THR H . 34496 1 1747 . 1 . 1 146 146 THR HA H 1 4.322 0.020 . 1 . . . . A 146 THR HA . 34496 1 1748 . 1 . 1 146 146 THR HB H 1 4.269 0.020 . 1 . . . . A 146 THR HB . 34496 1 1749 . 1 . 1 146 146 THR HG21 H 1 1.207 0.020 . 1 . . . . A 146 THR HG21 . 34496 1 1750 . 1 . 1 146 146 THR HG22 H 1 1.207 0.020 . 1 . . . . A 146 THR HG22 . 34496 1 1751 . 1 . 1 146 146 THR HG23 H 1 1.207 0.020 . 1 . . . . A 146 THR HG23 . 34496 1 1752 . 1 . 1 146 146 THR C C 13 174.268 0.3 . 1 . . . . A 146 THR C . 34496 1 1753 . 1 . 1 146 146 THR CA C 13 62.646 0.3 . 1 . . . . A 146 THR CA . 34496 1 1754 . 1 . 1 146 146 THR CB C 13 70.159 0.3 . 1 . . . . A 146 THR CB . 34496 1 1755 . 1 . 1 146 146 THR CG2 C 13 21.253 0.3 . 1 . . . . A 146 THR CG2 . 34496 1 1756 . 1 . 1 146 146 THR N N 15 112.874 0.3 . 1 . . . . A 146 THR N . 34496 1 1757 . 1 . 1 147 147 ALA H H 1 7.761 0.020 . 1 . . . . A 147 ALA H . 34496 1 1758 . 1 . 1 147 147 ALA HA H 1 4.350 0.020 . 1 . . . . A 147 ALA HA . 34496 1 1759 . 1 . 1 147 147 ALA HB1 H 1 1.432 0.020 . 1 . . . . A 147 ALA HB1 . 34496 1 1760 . 1 . 1 147 147 ALA HB2 H 1 1.432 0.020 . 1 . . . . A 147 ALA HB2 . 34496 1 1761 . 1 . 1 147 147 ALA HB3 H 1 1.432 0.020 . 1 . . . . A 147 ALA HB3 . 34496 1 1762 . 1 . 1 147 147 ALA C C 13 176.659 0.3 . 1 . . . . A 147 ALA C . 34496 1 1763 . 1 . 1 147 147 ALA CA C 13 52.770 0.3 . 1 . . . . A 147 ALA CA . 34496 1 1764 . 1 . 1 147 147 ALA CB C 13 19.057 0.3 . 1 . . . . A 147 ALA CB . 34496 1 1765 . 1 . 1 147 147 ALA N N 15 127.713 0.3 . 1 . . . . A 147 ALA N . 34496 1 1766 . 1 . 1 148 148 LYS H H 1 7.679 0.020 . 1 . . . . A 148 LYS H . 34496 1 1767 . 1 . 1 148 148 LYS HA H 1 4.163 0.020 . 1 . . . . A 148 LYS HA . 34496 1 1768 . 1 . 1 148 148 LYS HB2 H 1 1.723 0.020 . 2 . . . . A 148 LYS HB2 . 34496 1 1769 . 1 . 1 148 148 LYS HB3 H 1 1.851 0.020 . 2 . . . . A 148 LYS HB3 . 34496 1 1770 . 1 . 1 148 148 LYS HG2 H 1 1.363 0.020 . 2 . . . . A 148 LYS HG2 . 34496 1 1771 . 1 . 1 148 148 LYS HG3 H 1 1.420 0.020 . 2 . . . . A 148 LYS HG3 . 34496 1 1772 . 1 . 1 148 148 LYS HD3 H 1 1.676 0.020 . 1 . . . . A 148 LYS HD3 . 34496 1 1773 . 1 . 1 148 148 LYS HE2 H 1 3.013 0.020 . 1 . . . . A 148 LYS HE2 . 34496 1 1774 . 1 . 1 148 148 LYS C C 13 181.429 0.3 . 1 . . . . A 148 LYS C . 34496 1 1775 . 1 . 1 148 148 LYS CA C 13 57.509 0.3 . 1 . . . . A 148 LYS CA . 34496 1 1776 . 1 . 1 148 148 LYS CB C 13 33.634 0.3 . 1 . . . . A 148 LYS CB . 34496 1 1777 . 1 . 1 148 148 LYS CG C 13 24.595 0.3 . 1 . . . . A 148 LYS CG . 34496 1 1778 . 1 . 1 148 148 LYS CD C 13 29.070 0.3 . 1 . . . . A 148 LYS CD . 34496 1 1779 . 1 . 1 148 148 LYS CE C 13 42.121 0.3 . 1 . . . . A 148 LYS CE . 34496 1 1780 . 1 . 1 148 148 LYS N N 15 126.724 0.3 . 1 . . . . A 148 LYS N . 34496 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 34496 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name heteronucl_NOEs _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 17 '{1H}-15N NOE' . . . 34496 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLN N N 15 . 1 1 3 3 GLN H H 1 -0.33 0.00 . . . . . . . . . . 34496 1 2 . 1 1 4 4 LEU N N 15 . 1 1 4 4 LEU H H 1 0.21 0.00 . . . . . . . . . . 34496 1 3 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.63 0.01 . . . . . . . . . . 34496 1 4 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.68 0.01 . . . . . . . . . . 34496 1 5 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.68 0.01 . . . . . . . . . . 34496 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.71 0.01 . . . . . . . . . . 34496 1 7 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 0.69 0.01 . . . . . . . . . . 34496 1 8 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.70 0.01 . . . . . . . . . . 34496 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.75 0.01 . . . . . . . . . . 34496 1 10 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.74 0.01 . . . . . . . . . . 34496 1 11 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.75 0.01 . . . . . . . . . . 34496 1 12 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.77 0.01 . . . . . . . . . . 34496 1 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.73 0.01 . . . . . . . . . . 34496 1 14 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.77 0.01 . . . . . . . . . . 34496 1 15 . 1 1 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.75 0.01 . . . . . . . . . . 34496 1 16 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.74 0.01 . . . . . . . . . . 34496 1 17 . 1 1 19 19 PHE N N 15 . 1 1 19 19 PHE H H 1 0.72 0.01 . . . . . . . . . . 34496 1 18 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.75 0.01 . . . . . . . . . . 34496 1 19 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.69 0.01 . . . . . . . . . . 34496 1 20 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.76 0.01 . . . . . . . . . . 34496 1 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.76 0.00 . . . . . . . . . . 34496 1 22 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.76 0.01 . . . . . . . . . . 34496 1 23 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 0.77 0.01 . . . . . . . . . . 34496 1 24 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.79 0.01 . . . . . . . . . . 34496 1 25 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 0.78 0.02 . . . . . . . . . . 34496 1 26 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.76 0.01 . . . . . . . . . . 34496 1 27 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.72 0.01 . . . . . . . . . . 34496 1 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.70 0.01 . . . . . . . . . . 34496 1 29 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.70 0.01 . . . . . . . . . . 34496 1 30 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.73 0.01 . . . . . . . . . . 34496 1 31 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.73 0.01 . . . . . . . . . . 34496 1 32 . 1 1 34 34 THR N N 15 . 1 1 34 34 THR H H 1 0.74 0.01 . . . . . . . . . . 34496 1 33 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.74 0.01 . . . . . . . . . . 34496 1 34 . 1 1 36 36 MET N N 15 . 1 1 36 36 MET H H 1 0.72 0.01 . . . . . . . . . . 34496 1 35 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.76 0.01 . . . . . . . . . . 34496 1 36 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.72 0.01 . . . . . . . . . . 34496 1 37 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.72 0.01 . . . . . . . . . . 34496 1 38 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.64 0.00 . . . . . . . . . . 34496 1 39 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.71 0.01 . . . . . . . . . . 34496 1 40 . 1 1 42 42 ASN N N 15 . 1 1 42 42 ASN H H 1 0.56 0.01 . . . . . . . . . . 34496 1 41 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.65 0.01 . . . . . . . . . . 34496 1 42 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.73 0.01 . . . . . . . . . . 34496 1 43 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.71 0.00 . . . . . . . . . . 34496 1 44 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.69 0.01 . . . . . . . . . . 34496 1 45 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.72 0.01 . . . . . . . . . . 34496 1 46 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.72 0.01 . . . . . . . . . . 34496 1 47 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.71 0.01 . . . . . . . . . . 34496 1 48 . 1 1 51 51 MET N N 15 . 1 1 51 51 MET H H 1 0.73 0.01 . . . . . . . . . . 34496 1 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.73 0.01 . . . . . . . . . . 34496 1 50 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.72 0.01 . . . . . . . . . . 34496 1 51 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.72 0.01 . . . . . . . . . . 34496 1 52 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.71 0.01 . . . . . . . . . . 34496 1 53 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.75 0.01 . . . . . . . . . . 34496 1 54 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.65 0.01 . . . . . . . . . . 34496 1 55 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.75 0.01 . . . . . . . . . . 34496 1 56 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.73 0.01 . . . . . . . . . . 34496 1 57 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.79 0.01 . . . . . . . . . . 34496 1 58 . 1 1 61 61 GLY N N 15 . 1 1 61 61 GLY H H 1 0.74 0.01 . . . . . . . . . . 34496 1 59 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.76 0.00 . . . . . . . . . . 34496 1 60 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.76 0.01 . . . . . . . . . . 34496 1 61 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.77 0.01 . . . . . . . . . . 34496 1 62 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.72 0.01 . . . . . . . . . . 34496 1 63 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.76 0.01 . . . . . . . . . . 34496 1 64 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.77 0.01 . . . . . . . . . . 34496 1 65 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.73 0.01 . . . . . . . . . . 34496 1 66 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 0.77 0.01 . . . . . . . . . . 34496 1 67 . 1 1 71 71 MET N N 15 . 1 1 71 71 MET H H 1 0.75 0.01 . . . . . . . . . . 34496 1 68 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.75 0.01 . . . . . . . . . . 34496 1 69 . 1 1 73 73 ALA N N 15 . 1 1 73 73 ALA H H 1 0.72 0.01 . . . . . . . . . . 34496 1 70 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.67 0.01 . . . . . . . . . . 34496 1 71 . 1 1 75 75 LYS N N 15 . 1 1 75 75 LYS H H 1 0.63 0.01 . . . . . . . . . . 34496 1 72 . 1 1 76 76 MET N N 15 . 1 1 76 76 MET H H 1 0.60 0.01 . . . . . . . . . . 34496 1 73 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 0.45 0.01 . . . . . . . . . . 34496 1 74 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.34 0.01 . . . . . . . . . . 34496 1 75 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.42 0.01 . . . . . . . . . . 34496 1 76 . 1 1 80 80 ASP N N 15 . 1 1 80 80 ASP H H 1 0.36 0.02 . . . . . . . . . . 34496 1 77 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.49 0.01 . . . . . . . . . . 34496 1 78 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.59 0.01 . . . . . . . . . . 34496 1 79 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.65 0.01 . . . . . . . . . . 34496 1 80 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 0.67 0.01 . . . . . . . . . . 34496 1 81 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.69 0.01 . . . . . . . . . . 34496 1 82 . 1 1 86 86 ARG N N 15 . 1 1 86 86 ARG H H 1 0.72 0.01 . . . . . . . . . . 34496 1 83 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.77 0.01 . . . . . . . . . . 34496 1 84 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.72 0.01 . . . . . . . . . . 34496 1 85 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.75 0.01 . . . . . . . . . . 34496 1 86 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.72 0.01 . . . . . . . . . . 34496 1 87 . 1 1 91 91 VAL N N 15 . 1 1 91 91 VAL H H 1 0.76 0.01 . . . . . . . . . . 34496 1 88 . 1 1 92 92 PHE N N 15 . 1 1 92 92 PHE H H 1 0.73 0.01 . . . . . . . . . . 34496 1 89 . 1 1 93 93 ASP N N 15 . 1 1 93 93 ASP H H 1 0.75 0.01 . . . . . . . . . . 34496 1 90 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.72 0.01 . . . . . . . . . . 34496 1 91 . 1 1 95 95 ASP N N 15 . 1 1 95 95 ASP H H 1 0.76 0.01 . . . . . . . . . . 34496 1 92 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.75 0.01 . . . . . . . . . . 34496 1 93 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.74 0.01 . . . . . . . . . . 34496 1 94 . 1 1 98 98 GLY N N 15 . 1 1 98 98 GLY H H 1 0.75 0.01 . . . . . . . . . . 34496 1 95 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.77 0.01 . . . . . . . . . . 34496 1 96 . 1 1 100 100 ILE N N 15 . 1 1 100 100 ILE H H 1 0.75 0.01 . . . . . . . . . . 34496 1 97 . 1 1 101 101 SER N N 15 . 1 1 101 101 SER H H 1 0.76 0.01 . . . . . . . . . . 34496 1 98 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.78 0.01 . . . . . . . . . . 34496 1 99 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.75 0.00 . . . . . . . . . . 34496 1 100 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.75 0.01 . . . . . . . . . . 34496 1 101 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.72 0.01 . . . . . . . . . . 34496 1 102 . 1 1 106 106 ARG N N 15 . 1 1 106 106 ARG H H 1 0.75 0.01 . . . . . . . . . . 34496 1 103 . 1 1 108 108 VAL N N 15 . 1 1 108 108 VAL H H 1 0.72 0.01 . . . . . . . . . . 34496 1 104 . 1 1 109 109 MET N N 15 . 1 1 109 109 MET H H 1 0.71 0.01 . . . . . . . . . . 34496 1 105 . 1 1 110 110 THR N N 15 . 1 1 110 110 THR H H 1 0.64 0.01 . . . . . . . . . . 34496 1 106 . 1 1 111 111 ASN N N 15 . 1 1 111 111 ASN H H 1 0.69 0.01 . . . . . . . . . . 34496 1 107 . 1 1 112 112 LEU N N 15 . 1 1 112 112 LEU H H 1 0.72 0.01 . . . . . . . . . . 34496 1 108 . 1 1 113 113 GLY N N 15 . 1 1 113 113 GLY H H 1 0.63 0.01 . . . . . . . . . . 34496 1 109 . 1 1 114 114 GLU N N 15 . 1 1 114 114 GLU H H 1 0.62 0.01 . . . . . . . . . . 34496 1 110 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.31 0.01 . . . . . . . . . . 34496 1 111 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.38 0.01 . . . . . . . . . . 34496 1 112 . 1 1 117 117 THR N N 15 . 1 1 117 117 THR H H 1 0.68 0.01 . . . . . . . . . . 34496 1 113 . 1 1 118 118 ASP N N 15 . 1 1 118 118 ASP H H 1 0.71 0.01 . . . . . . . . . . 34496 1 114 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.68 0.01 . . . . . . . . . . 34496 1 115 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.71 0.01 . . . . . . . . . . 34496 1 116 . 1 1 121 121 VAL N N 15 . 1 1 121 121 VAL H H 1 0.72 0.01 . . . . . . . . . . 34496 1 117 . 1 1 122 122 ASP N N 15 . 1 1 122 122 ASP H H 1 0.71 0.01 . . . . . . . . . . 34496 1 118 . 1 1 123 123 GLU N N 15 . 1 1 123 123 GLU H H 1 0.71 0.01 . . . . . . . . . . 34496 1 119 . 1 1 124 124 MET N N 15 . 1 1 124 124 MET H H 1 0.76 0.01 . . . . . . . . . . 34496 1 120 . 1 1 125 125 ILE N N 15 . 1 1 125 125 ILE H H 1 0.72 0.01 . . . . . . . . . . 34496 1 121 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.73 0.01 . . . . . . . . . . 34496 1 122 . 1 1 127 127 GLU N N 15 . 1 1 127 127 GLU H H 1 0.72 0.01 . . . . . . . . . . 34496 1 123 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.72 0.01 . . . . . . . . . . 34496 1 124 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.77 0.01 . . . . . . . . . . 34496 1 125 . 1 1 130 130 ILE N N 15 . 1 1 130 130 ILE H H 1 0.62 0.01 . . . . . . . . . . 34496 1 126 . 1 1 131 131 ASP N N 15 . 1 1 131 131 ASP H H 1 0.74 0.01 . . . . . . . . . . 34496 1 127 . 1 1 132 132 GLY N N 15 . 1 1 132 132 GLY H H 1 0.74 0.01 . . . . . . . . . . 34496 1 128 . 1 1 133 133 ASP N N 15 . 1 1 133 133 ASP H H 1 0.73 0.01 . . . . . . . . . . 34496 1 129 . 1 1 134 134 GLY N N 15 . 1 1 134 134 GLY H H 1 0.73 0.01 . . . . . . . . . . 34496 1 130 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 0.73 0.01 . . . . . . . . . . 34496 1 131 . 1 1 136 136 VAL N N 15 . 1 1 136 136 VAL H H 1 0.76 0.01 . . . . . . . . . . 34496 1 132 . 1 1 137 137 ASN N N 15 . 1 1 137 137 ASN H H 1 0.78 0.01 . . . . . . . . . . 34496 1 133 . 1 1 138 138 TYR N N 15 . 1 1 138 138 TYR H H 1 0.76 0.01 . . . . . . . . . . 34496 1 134 . 1 1 139 139 GLU N N 15 . 1 1 139 139 GLU H H 1 0.76 0.00 . . . . . . . . . . 34496 1 135 . 1 1 140 140 GLU N N 15 . 1 1 140 140 GLU H H 1 0.75 0.01 . . . . . . . . . . 34496 1 136 . 1 1 141 141 PHE N N 15 . 1 1 141 141 PHE H H 1 0.77 0.01 . . . . . . . . . . 34496 1 137 . 1 1 142 142 VAL N N 15 . 1 1 142 142 VAL H H 1 0.74 0.01 . . . . . . . . . . 34496 1 138 . 1 1 143 143 GLN N N 15 . 1 1 143 143 GLN H H 1 0.72 0.01 . . . . . . . . . . 34496 1 139 . 1 1 144 144 MET N N 15 . 1 1 144 144 MET H H 1 0.70 0.01 . . . . . . . . . . 34496 1 140 . 1 1 145 145 MET N N 15 . 1 1 145 145 MET H H 1 0.71 0.01 . . . . . . . . . . 34496 1 141 . 1 1 146 146 THR N N 15 . 1 1 146 146 THR H H 1 0.64 0.01 . . . . . . . . . . 34496 1 142 . 1 1 147 147 ALA N N 15 . 1 1 147 147 ALA H H 1 0.45 0.00 . . . . . . . . . . 34496 1 143 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 -0.02 0.00 . . . . . . . . . . 34496 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 34496 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name heteronucl_T1 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 19 15N-T1 . . . 34496 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 LEU N N 15 0.81 0.05 . . . . . 34496 1 2 . 1 1 5 5 THR N N 15 0.75 0.05 . . . . . 34496 1 3 . 1 1 6 6 GLU N N 15 0.77 0.07 . . . . . 34496 1 4 . 1 1 7 7 GLU N N 15 0.76 0.07 . . . . . 34496 1 5 . 1 1 8 8 GLN N N 15 0.74 0.05 . . . . . 34496 1 6 . 1 1 9 9 ILE N N 15 0.72 0.02 . . . . . 34496 1 7 . 1 1 10 10 ALA N N 15 0.70 0.01 . . . . . 34496 1 8 . 1 1 11 11 GLU N N 15 0.68 0.02 . . . . . 34496 1 9 . 1 1 12 12 PHE N N 15 0.71 0.01 . . . . . 34496 1 10 . 1 1 13 13 LYS N N 15 0.71 0.02 . . . . . 34496 1 11 . 1 1 14 14 GLU N N 15 0.73 0.02 . . . . . 34496 1 12 . 1 1 15 15 ALA N N 15 0.73 0.01 . . . . . 34496 1 13 . 1 1 16 16 PHE N N 15 0.73 0.01 . . . . . 34496 1 14 . 1 1 17 17 SER N N 15 0.76 0.04 . . . . . 34496 1 15 . 1 1 18 18 LEU N N 15 0.73 0.02 . . . . . 34496 1 16 . 1 1 20 20 ASP N N 15 0.73 0.05 . . . . . 34496 1 17 . 1 1 21 21 LYS N N 15 0.68 0.02 . . . . . 34496 1 18 . 1 1 22 22 ASP N N 15 0.64 0.02 . . . . . 34496 1 19 . 1 1 23 23 GLY N N 15 0.67 0.03 . . . . . 34496 1 20 . 1 1 24 24 ASP N N 15 0.62 0.02 . . . . . 34496 1 21 . 1 1 25 25 GLY N N 15 0.60 0.03 . . . . . 34496 1 22 . 1 1 26 26 THR N N 15 0.64 0.06 . . . . . 34496 1 23 . 1 1 27 27 ILE N N 15 0.67 0.04 . . . . . 34496 1 24 . 1 1 28 28 THR N N 15 0.68 0.07 . . . . . 34496 1 25 . 1 1 29 29 THR N N 15 0.73 0.10 . . . . . 34496 1 26 . 1 1 30 30 LYS N N 15 0.69 0.07 . . . . . 34496 1 27 . 1 1 31 31 GLU N N 15 0.71 0.07 . . . . . 34496 1 28 . 1 1 32 32 LEU N N 15 0.70 0.05 . . . . . 34496 1 29 . 1 1 33 33 GLY N N 15 0.71 0.04 . . . . . 34496 1 30 . 1 1 34 34 THR N N 15 0.74 0.12 . . . . . 34496 1 31 . 1 1 35 35 VAL N N 15 0.68 0.06 . . . . . 34496 1 32 . 1 1 36 36 MET N N 15 0.70 0.03 . . . . . 34496 1 33 . 1 1 37 37 ARG N N 15 0.74 0.02 . . . . . 34496 1 34 . 1 1 38 38 SER N N 15 0.72 0.09 . . . . . 34496 1 35 . 1 1 39 39 LEU N N 15 0.72 0.07 . . . . . 34496 1 36 . 1 1 40 40 GLY N N 15 0.73 0.04 . . . . . 34496 1 37 . 1 1 41 41 GLN N N 15 0.74 0.05 . . . . . 34496 1 38 . 1 1 42 42 ASN N N 15 0.95 0.26 . . . . . 34496 1 39 . 1 1 44 44 THR N N 15 0.78 0.06 . . . . . 34496 1 40 . 1 1 45 45 GLU N N 15 0.74 0.07 . . . . . 34496 1 41 . 1 1 46 46 ALA N N 15 0.71 0.07 . . . . . 34496 1 42 . 1 1 47 47 GLU N N 15 0.74 0.05 . . . . . 34496 1 43 . 1 1 48 48 LEU N N 15 0.70 0.03 . . . . . 34496 1 44 . 1 1 49 49 GLN N N 15 0.69 0.02 . . . . . 34496 1 45 . 1 1 50 50 ASP N N 15 0.68 0.01 . . . . . 34496 1 46 . 1 1 51 51 MET N N 15 0.69 0.00 . . . . . 34496 1 47 . 1 1 52 52 ILE N N 15 0.70 0.01 . . . . . 34496 1 48 . 1 1 53 53 ILE N N 15 0.67 0.00 . . . . . 34496 1 49 . 1 1 54 54 GLU N N 15 0.67 0.00 . . . . . 34496 1 50 . 1 1 55 55 VAL N N 15 0.71 0.03 . . . . . 34496 1 51 . 1 1 56 56 ASP N N 15 0.70 0.01 . . . . . 34496 1 52 . 1 1 57 57 ALA N N 15 0.82 0.01 . . . . . 34496 1 53 . 1 1 58 58 ASP N N 15 0.67 0.01 . . . . . 34496 1 54 . 1 1 59 59 GLY N N 15 0.74 0.02 . . . . . 34496 1 55 . 1 1 60 60 ASN N N 15 0.72 0.02 . . . . . 34496 1 56 . 1 1 61 61 GLY N N 15 0.73 0.02 . . . . . 34496 1 57 . 1 1 62 62 THR N N 15 0.64 0.02 . . . . . 34496 1 58 . 1 1 63 63 ILE N N 15 0.70 0.06 . . . . . 34496 1 59 . 1 1 64 64 ASP N N 15 0.71 0.06 . . . . . 34496 1 60 . 1 1 65 65 PHE N N 15 0.76 0.04 . . . . . 34496 1 61 . 1 1 67 67 GLU N N 15 0.77 0.03 . . . . . 34496 1 62 . 1 1 68 68 PHE N N 15 0.72 0.03 . . . . . 34496 1 63 . 1 1 69 69 LEU N N 15 0.72 0.04 . . . . . 34496 1 64 . 1 1 70 70 THR N N 15 0.79 0.06 . . . . . 34496 1 65 . 1 1 71 71 MET N N 15 0.75 0.03 . . . . . 34496 1 66 . 1 1 72 72 MET N N 15 0.72 0.01 . . . . . 34496 1 67 . 1 1 73 73 ALA N N 15 0.74 0.02 . . . . . 34496 1 68 . 1 1 74 74 ARG N N 15 0.77 0.03 . . . . . 34496 1 69 . 1 1 75 75 LYS N N 15 0.73 0.08 . . . . . 34496 1 70 . 1 1 76 76 MET N N 15 0.65 0.05 . . . . . 34496 1 71 . 1 1 77 77 LYS N N 15 0.74 0.08 . . . . . 34496 1 72 . 1 1 78 78 ASP N N 15 0.76 0.14 . . . . . 34496 1 73 . 1 1 79 79 THR N N 15 0.75 0.13 . . . . . 34496 1 74 . 1 1 80 80 ASP N N 15 0.71 0.12 . . . . . 34496 1 75 . 1 1 81 81 SER N N 15 0.75 0.16 . . . . . 34496 1 76 . 1 1 82 82 GLU N N 15 0.76 0.11 . . . . . 34496 1 77 . 1 1 83 83 GLU N N 15 0.71 0.04 . . . . . 34496 1 78 . 1 1 84 84 GLU N N 15 0.71 0.04 . . . . . 34496 1 79 . 1 1 85 85 ILE N N 15 0.74 0.03 . . . . . 34496 1 80 . 1 1 86 86 ARG N N 15 0.75 0.05 . . . . . 34496 1 81 . 1 1 87 87 GLU N N 15 0.72 0.02 . . . . . 34496 1 82 . 1 1 88 88 ALA N N 15 0.71 0.03 . . . . . 34496 1 83 . 1 1 89 89 PHE N N 15 0.74 0.04 . . . . . 34496 1 84 . 1 1 90 90 ARG N N 15 0.74 0.03 . . . . . 34496 1 85 . 1 1 91 91 VAL N N 15 0.72 0.02 . . . . . 34496 1 86 . 1 1 92 92 PHE N N 15 0.74 0.02 . . . . . 34496 1 87 . 1 1 93 93 ASP N N 15 0.77 0.02 . . . . . 34496 1 88 . 1 1 94 94 LYS N N 15 0.71 0.01 . . . . . 34496 1 89 . 1 1 95 95 ASP N N 15 0.64 0.02 . . . . . 34496 1 90 . 1 1 96 96 GLY N N 15 0.64 0.02 . . . . . 34496 1 91 . 1 1 97 97 ASN N N 15 0.76 0.05 . . . . . 34496 1 92 . 1 1 98 98 GLY N N 15 0.64 0.02 . . . . . 34496 1 93 . 1 1 99 99 TYR N N 15 0.67 0.03 . . . . . 34496 1 94 . 1 1 100 100 ILE N N 15 0.69 0.02 . . . . . 34496 1 95 . 1 1 101 101 SER N N 15 0.66 0.06 . . . . . 34496 1 96 . 1 1 102 102 ALA N N 15 0.69 0.06 . . . . . 34496 1 97 . 1 1 103 103 ALA N N 15 0.68 0.07 . . . . . 34496 1 98 . 1 1 104 104 GLU N N 15 0.71 0.01 . . . . . 34496 1 99 . 1 1 105 105 LEU N N 15 0.66 0.03 . . . . . 34496 1 100 . 1 1 106 106 ARG N N 15 0.66 0.03 . . . . . 34496 1 101 . 1 1 108 108 VAL N N 15 0.68 0.03 . . . . . 34496 1 102 . 1 1 109 109 MET N N 15 0.65 0.03 . . . . . 34496 1 103 . 1 1 110 110 THR N N 15 0.71 0.11 . . . . . 34496 1 104 . 1 1 111 111 ASN N N 15 0.70 0.06 . . . . . 34496 1 105 . 1 1 112 112 LEU N N 15 0.69 0.03 . . . . . 34496 1 106 . 1 1 113 113 GLY N N 15 0.76 0.06 . . . . . 34496 1 107 . 1 1 114 114 GLU N N 15 0.67 0.05 . . . . . 34496 1 108 . 1 1 115 115 LYS N N 15 0.78 0.06 . . . . . 34496 1 109 . 1 1 116 116 LEU N N 15 0.80 0.04 . . . . . 34496 1 110 . 1 1 117 117 THR N N 15 0.71 0.03 . . . . . 34496 1 111 . 1 1 118 118 ASP N N 15 0.74 0.11 . . . . . 34496 1 112 . 1 1 119 119 GLU N N 15 0.69 0.06 . . . . . 34496 1 113 . 1 1 120 120 GLU N N 15 0.75 0.10 . . . . . 34496 1 114 . 1 1 121 121 VAL N N 15 0.70 0.03 . . . . . 34496 1 115 . 1 1 122 122 ASP N N 15 0.68 0.02 . . . . . 34496 1 116 . 1 1 123 123 GLU N N 15 0.64 0.01 . . . . . 34496 1 117 . 1 1 124 124 MET N N 15 0.67 0.05 . . . . . 34496 1 118 . 1 1 125 125 ILE N N 15 0.69 0.01 . . . . . 34496 1 119 . 1 1 126 126 ARG N N 15 0.66 0.01 . . . . . 34496 1 120 . 1 1 127 127 GLU N N 15 0.62 0.01 . . . . . 34496 1 121 . 1 1 128 128 ALA N N 15 0.70 0.01 . . . . . 34496 1 122 . 1 1 129 129 ASP N N 15 0.71 0.00 . . . . . 34496 1 123 . 1 1 130 130 ILE N N 15 0.91 0.01 . . . . . 34496 1 124 . 1 1 131 131 ASP N N 15 0.64 0.00 . . . . . 34496 1 125 . 1 1 132 132 GLY N N 15 0.72 0.01 . . . . . 34496 1 126 . 1 1 133 133 ASP N N 15 0.73 0.01 . . . . . 34496 1 127 . 1 1 134 134 GLY N N 15 0.67 0.01 . . . . . 34496 1 128 . 1 1 135 135 GLN N N 15 0.64 0.01 . . . . . 34496 1 129 . 1 1 136 136 VAL N N 15 0.68 0.02 . . . . . 34496 1 130 . 1 1 137 137 ASN N N 15 0.65 0.02 . . . . . 34496 1 131 . 1 1 138 138 TYR N N 15 0.67 0.03 . . . . . 34496 1 132 . 1 1 139 139 GLU N N 15 0.66 0.01 . . . . . 34496 1 133 . 1 1 140 140 GLU N N 15 0.65 0.03 . . . . . 34496 1 134 . 1 1 141 141 PHE N N 15 0.63 0.01 . . . . . 34496 1 135 . 1 1 142 142 VAL N N 15 0.63 0.02 . . . . . 34496 1 136 . 1 1 143 143 GLN N N 15 0.65 0.02 . . . . . 34496 1 137 . 1 1 144 144 MET N N 15 0.65 0.01 . . . . . 34496 1 138 . 1 1 145 145 MET N N 15 0.66 0.03 . . . . . 34496 1 139 . 1 1 146 146 THR N N 15 0.75 0.09 . . . . . 34496 1 140 . 1 1 147 147 ALA N N 15 0.70 0.07 . . . . . 34496 1 141 . 1 1 148 148 LYS N N 15 0.76 0.01 . . . . . 34496 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 34496 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name heteronucl_T2 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 18 15N-T2 . . . 34496 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLN N N 15 0.25 0.00 . . . . . . . 34496 1 2 . 1 1 4 4 LEU N N 15 0.14 0.00 . . . . . . . 34496 1 3 . 1 1 5 5 THR N N 15 0.11 0.00 . . . . . . . 34496 1 4 . 1 1 6 6 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 5 . 1 1 7 7 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 6 . 1 1 8 8 GLN N N 15 0.08 0.00 . . . . . . . 34496 1 7 . 1 1 9 9 ILE N N 15 0.08 0.00 . . . . . . . 34496 1 8 . 1 1 10 10 ALA N N 15 0.07 0.00 . . . . . . . 34496 1 9 . 1 1 11 11 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 10 . 1 1 12 12 PHE N N 15 0.07 0.00 . . . . . . . 34496 1 11 . 1 1 13 13 LYS N N 15 0.08 0.00 . . . . . . . 34496 1 12 . 1 1 14 14 GLU N N 15 0.07 0.00 . . . . . . . 34496 1 13 . 1 1 15 15 ALA N N 15 0.07 0.00 . . . . . . . 34496 1 14 . 1 1 16 16 PHE N N 15 0.07 0.00 . . . . . . . 34496 1 15 . 1 1 17 17 SER N N 15 0.08 0.00 . . . . . . . 34496 1 16 . 1 1 18 18 LEU N N 15 0.07 0.00 . . . . . . . 34496 1 17 . 1 1 19 19 PHE N N 15 0.08 0.00 . . . . . . . 34496 1 18 . 1 1 20 20 ASP N N 15 0.07 0.00 . . . . . . . 34496 1 19 . 1 1 21 21 LYS N N 15 0.09 0.00 . . . . . . . 34496 1 20 . 1 1 22 22 ASP N N 15 0.09 0.00 . . . . . . . 34496 1 21 . 1 1 23 23 GLY N N 15 0.08 0.00 . . . . . . . 34496 1 22 . 1 1 24 24 ASP N N 15 0.08 0.00 . . . . . . . 34496 1 23 . 1 1 25 25 GLY N N 15 0.09 0.00 . . . . . . . 34496 1 24 . 1 1 26 26 THR N N 15 0.08 0.00 . . . . . . . 34496 1 25 . 1 1 27 27 ILE N N 15 0.06 0.00 . . . . . . . 34496 1 26 . 1 1 28 28 THR N N 15 0.07 0.00 . . . . . . . 34496 1 27 . 1 1 29 29 THR N N 15 0.09 0.00 . . . . . . . 34496 1 28 . 1 1 30 30 LYS N N 15 0.09 0.00 . . . . . . . 34496 1 29 . 1 1 31 31 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 30 . 1 1 32 32 LEU N N 15 0.08 0.00 . . . . . . . 34496 1 31 . 1 1 33 33 GLY N N 15 0.08 0.00 . . . . . . . 34496 1 32 . 1 1 34 34 THR N N 15 0.08 0.00 . . . . . . . 34496 1 33 . 1 1 35 35 VAL N N 15 0.09 0.00 . . . . . . . 34496 1 34 . 1 1 36 36 MET N N 15 0.08 0.00 . . . . . . . 34496 1 35 . 1 1 37 37 ARG N N 15 0.07 0.00 . . . . . . . 34496 1 36 . 1 1 38 38 SER N N 15 0.08 0.00 . . . . . . . 34496 1 37 . 1 1 39 39 LEU N N 15 0.05 0.00 . . . . . . . 34496 1 38 . 1 1 40 40 GLY N N 15 0.08 0.00 . . . . . . . 34496 1 39 . 1 1 41 41 GLN N N 15 0.08 0.00 . . . . . . . 34496 1 40 . 1 1 42 42 ASN N N 15 0.10 0.00 . . . . . . . 34496 1 41 . 1 1 44 44 THR N N 15 0.09 0.00 . . . . . . . 34496 1 42 . 1 1 45 45 GLU N N 15 0.09 0.00 . . . . . . . 34496 1 43 . 1 1 46 46 ALA N N 15 0.09 0.00 . . . . . . . 34496 1 44 . 1 1 47 47 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 45 . 1 1 48 48 LEU N N 15 0.08 0.00 . . . . . . . 34496 1 46 . 1 1 49 49 GLN N N 15 0.08 0.00 . . . . . . . 34496 1 47 . 1 1 50 50 ASP N N 15 0.08 0.00 . . . . . . . 34496 1 48 . 1 1 51 51 MET N N 15 0.08 0.00 . . . . . . . 34496 1 49 . 1 1 52 52 ILE N N 15 0.07 0.00 . . . . . . . 34496 1 50 . 1 1 53 53 ILE N N 15 0.08 0.00 . . . . . . . 34496 1 51 . 1 1 54 54 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 52 . 1 1 55 55 VAL N N 15 0.06 0.00 . . . . . . . 34496 1 53 . 1 1 56 56 ASP N N 15 0.08 0.00 . . . . . . . 34496 1 54 . 1 1 57 57 ALA N N 15 0.11 0.00 . . . . . . . 34496 1 55 . 1 1 58 58 ASP N N 15 0.10 0.00 . . . . . . . 34496 1 56 . 1 1 59 59 GLY N N 15 0.09 0.00 . . . . . . . 34496 1 57 . 1 1 60 60 ASN N N 15 0.08 0.00 . . . . . . . 34496 1 58 . 1 1 61 61 GLY N N 15 0.08 0.00 . . . . . . . 34496 1 59 . 1 1 62 62 THR N N 15 0.08 0.00 . . . . . . . 34496 1 60 . 1 1 63 63 ILE N N 15 0.08 0.00 . . . . . . . 34496 1 61 . 1 1 64 64 ASP N N 15 0.09 0.00 . . . . . . . 34496 1 62 . 1 1 65 65 PHE N N 15 0.07 0.00 . . . . . . . 34496 1 63 . 1 1 67 67 GLU N N 15 0.07 0.00 . . . . . . . 34496 1 64 . 1 1 68 68 PHE N N 15 0.08 0.00 . . . . . . . 34496 1 65 . 1 1 69 69 LEU N N 15 0.08 0.00 . . . . . . . 34496 1 66 . 1 1 70 70 THR N N 15 0.07 0.00 . . . . . . . 34496 1 67 . 1 1 71 71 MET N N 15 0.07 0.00 . . . . . . . 34496 1 68 . 1 1 72 72 MET N N 15 0.07 0.00 . . . . . . . 34496 1 69 . 1 1 73 73 ALA N N 15 0.07 0.00 . . . . . . . 34496 1 70 . 1 1 74 74 ARG N N 15 0.07 0.00 . . . . . . . 34496 1 71 . 1 1 75 75 LYS N N 15 0.08 0.00 . . . . . . . 34496 1 72 . 1 1 76 76 MET N N 15 0.08 0.00 . . . . . . . 34496 1 73 . 1 1 77 77 LYS N N 15 0.10 0.00 . . . . . . . 34496 1 74 . 1 1 78 78 ASP N N 15 0.12 0.00 . . . . . . . 34496 1 75 . 1 1 79 79 THR N N 15 0.12 0.00 . . . . . . . 34496 1 76 . 1 1 80 80 ASP N N 15 0.13 0.01 . . . . . . . 34496 1 77 . 1 1 81 81 SER N N 15 0.10 0.00 . . . . . . . 34496 1 78 . 1 1 82 82 GLU N N 15 0.09 0.00 . . . . . . . 34496 1 79 . 1 1 83 83 GLU N N 15 0.09 0.00 . . . . . . . 34496 1 80 . 1 1 84 84 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 81 . 1 1 85 85 ILE N N 15 0.07 0.00 . . . . . . . 34496 1 82 . 1 1 86 86 ARG N N 15 0.07 0.00 . . . . . . . 34496 1 83 . 1 1 87 87 GLU N N 15 0.07 0.00 . . . . . . . 34496 1 84 . 1 1 88 88 ALA N N 15 0.08 0.00 . . . . . . . 34496 1 85 . 1 1 89 89 PHE N N 15 0.07 0.00 . . . . . . . 34496 1 86 . 1 1 90 90 ARG N N 15 0.08 0.00 . . . . . . . 34496 1 87 . 1 1 91 91 VAL N N 15 0.08 0.00 . . . . . . . 34496 1 88 . 1 1 92 92 PHE N N 15 0.07 0.00 . . . . . . . 34496 1 89 . 1 1 93 93 ASP N N 15 0.07 0.00 . . . . . . . 34496 1 90 . 1 1 94 94 LYS N N 15 0.10 0.00 . . . . . . . 34496 1 91 . 1 1 95 95 ASP N N 15 0.10 0.00 . . . . . . . 34496 1 92 . 1 1 96 96 GLY N N 15 0.10 0.01 . . . . . . . 34496 1 93 . 1 1 97 97 ASN N N 15 0.08 0.00 . . . . . . . 34496 1 94 . 1 1 98 98 GLY N N 15 0.10 0.00 . . . . . . . 34496 1 95 . 1 1 99 99 TYR N N 15 0.09 0.00 . . . . . . . 34496 1 96 . 1 1 100 100 ILE N N 15 0.10 0.00 . . . . . . . 34496 1 97 . 1 1 101 101 SER N N 15 0.10 0.00 . . . . . . . 34496 1 98 . 1 1 102 102 ALA N N 15 0.10 0.00 . . . . . . . 34496 1 99 . 1 1 103 103 ALA N N 15 0.09 0.00 . . . . . . . 34496 1 100 . 1 1 104 104 GLU N N 15 0.07 0.00 . . . . . . . 34496 1 101 . 1 1 105 105 LEU N N 15 0.09 0.00 . . . . . . . 34496 1 102 . 1 1 106 106 ARG N N 15 0.08 0.00 . . . . . . . 34496 1 103 . 1 1 108 108 VAL N N 15 0.08 0.00 . . . . . . . 34496 1 104 . 1 1 109 109 MET N N 15 0.06 0.00 . . . . . . . 34496 1 105 . 1 1 110 110 THR N N 15 0.09 0.00 . . . . . . . 34496 1 106 . 1 1 111 111 ASN N N 15 0.08 0.00 . . . . . . . 34496 1 107 . 1 1 112 112 LEU N N 16 0.08 0.00 . . . . . . . 34496 1 108 . 1 1 113 113 GLY N N 15 0.08 0.00 . . . . . . . 34496 1 109 . 1 1 114 114 GLU N N 15 0.10 0.00 . . . . . . . 34496 1 110 . 1 1 115 115 LYS N N 15 0.13 0.00 . . . . . . . 34496 1 111 . 1 1 116 116 LEU N N 15 0.14 0.00 . . . . . . . 34496 1 112 . 1 1 117 117 THR N N 15 0.11 0.00 . . . . . . . 34496 1 113 . 1 1 118 118 ASP N N 15 0.09 0.00 . . . . . . . 34496 1 114 . 1 1 119 119 GLU N N 15 0.09 0.00 . . . . . . . 34496 1 115 . 1 1 120 120 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 116 . 1 1 121 121 VAL N N 15 0.08 0.00 . . . . . . . 34496 1 117 . 1 1 122 122 ASP N N 15 0.08 0.00 . . . . . . . 34496 1 118 . 1 1 123 123 GLU N N 15 0.09 0.00 . . . . . . . 34496 1 119 . 1 1 124 124 MET N N 15 0.09 0.00 . . . . . . . 34496 1 120 . 1 1 125 125 ILE N N 15 0.08 0.00 . . . . . . . 34496 1 121 . 1 1 126 126 ARG N N 15 0.08 0.00 . . . . . . . 34496 1 122 . 1 1 127 127 GLU N N 15 0.08 0.00 . . . . . . . 34496 1 123 . 1 1 128 128 ALA N N 15 0.07 0.00 . . . . . . . 34496 1 124 . 1 1 129 129 ASP N N 15 0.08 0.00 . . . . . . . 34496 1 125 . 1 1 130 130 ILE N N 15 0.12 0.00 . . . . . . . 34496 1 126 . 1 1 131 131 ASP N N 15 0.10 0.00 . . . . . . . 34496 1 127 . 1 1 132 132 GLY N N 15 0.10 0.00 . . . . . . . 34496 1 128 . 1 1 133 133 ASP N N 15 0.08 0.00 . . . . . . . 34496 1 129 . 1 1 134 134 GLY N N 15 0.10 0.00 . . . . . . . 34496 1 130 . 1 1 135 135 GLN N N 15 0.10 0.00 . . . . . . . 34496 1 131 . 1 1 136 136 VAL N N 15 0.10 0.00 . . . . . . . 34496 1 132 . 1 1 137 137 ASN N N 15 0.10 0.00 . . . . . . . 34496 1 133 . 1 1 138 138 TYR N N 15 0.09 0.00 . . . . . . . 34496 1 134 . 1 1 139 139 GLU N N 15 0.09 0.00 . . . . . . . 34496 1 135 . 1 1 140 140 GLU N N 15 0.09 0.00 . . . . . . . 34496 1 136 . 1 1 141 141 PHE N N 15 0.10 0.00 . . . . . . . 34496 1 137 . 1 1 142 142 VAL N N 15 0.09 0.00 . . . . . . . 34496 1 138 . 1 1 143 143 GLN N N 15 0.09 0.00 . . . . . . . 34496 1 139 . 1 1 144 144 MET N N 15 0.08 0.00 . . . . . . . 34496 1 140 . 1 1 145 145 MET N N 15 0.09 0.00 . . . . . . . 34496 1 141 . 1 1 146 146 THR N N 15 0.08 0.00 . . . . . . . 34496 1 142 . 1 1 147 147 ALA N N 15 0.10 0.00 . . . . . . . 34496 1 143 . 1 1 148 148 LYS N N 15 0.24 0.00 . . . . . . . 34496 1 stop_ save_