data_26647 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26647 _Entry.Title ; NFkB p65 DNA-binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-02 _Entry.Accession_date 2015-09-02 _Entry.Last_release_date 2016-09-02 _Entry.Original_release_date 2016-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone N, C, H assignments with some side chain' _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 Sulakshana Mukherjee . . . . 26647 2 Pedro Quintas . O. . . 26647 3 Brendan Borin . . . . 26647 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26647 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 26647 '15N chemical shifts' 151 26647 '1H chemical shifts' 499 26647 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 . . 2016-09-02 . original BMRB . 26647 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25792 p65dd/p50dd 26647 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26647 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26647230 _Citation.Full_citation . _Citation.Title ; NMR characterization of a 72 kDa transcription factor using differential isotopic labeling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 597 _Citation.Page_last 604 _Citation.Year 2016 _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 Sulakshana Mukherjee . . . . 26647 1 2 Brendan Borin . . . . 26647 1 3 Pedro Quintas . O. . . 26647 1 4 Jane Dyson . . . . 26647 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26647 1 dynamics 26647 1 structure 26647 1 'transcription factor' 26647 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26647 _Assembly.ID 1 _Assembly.Name 'p65 DBD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'p65 DBD' 1 $p65DBD A . yes native no no . . . 26647 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1NFI . . X-ray . . . 26647 1 yes PDB 1VKI . . X-ray . . . 26647 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 26647 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p65DBD _Entity.Sf_category entity _Entity.Sf_framecode p65DBD _Entity.Entry_ID 26647 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p65DBD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PYVEIIEQPKQRGMRFRYKC EGRSAGSIPGERSTDTTKTH PTIKINGYTGPGTVRISLVT KDPPHRPHPHELVGKDCRDG YYEADLCPDRSIHSFQNLGI QCVKKRDLEQAISQRIQTNN NPFHVPIEEQRGDYDLNAVR LCFQVTVRDPAGRPLLLTPV LSHPIFDNRAPNT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'DNA-binding (N-terminal domain of the Rel homology region of NFkappaB p65 (RelA)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes PDB 1NFI . NFkB-IkBa . . . . . . . . . . . . . . 26647 1 . yes PDB 1VKX . NFkB-DNA . . . . . . . . . . . . . . 26647 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor' 26647 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 19 PRO . 26647 1 2 20 TYR . 26647 1 3 21 VAL . 26647 1 4 22 GLU . 26647 1 5 23 ILE . 26647 1 6 24 ILE . 26647 1 7 25 GLU . 26647 1 8 26 GLN . 26647 1 9 27 PRO . 26647 1 10 28 LYS . 26647 1 11 29 GLN . 26647 1 12 30 ARG . 26647 1 13 31 GLY . 26647 1 14 32 MET . 26647 1 15 33 ARG . 26647 1 16 34 PHE . 26647 1 17 35 ARG . 26647 1 18 36 TYR . 26647 1 19 37 LYS . 26647 1 20 38 CYS . 26647 1 21 39 GLU . 26647 1 22 40 GLY . 26647 1 23 41 ARG . 26647 1 24 42 SER . 26647 1 25 43 ALA . 26647 1 26 44 GLY . 26647 1 27 45 SER . 26647 1 28 46 ILE . 26647 1 29 47 PRO . 26647 1 30 48 GLY . 26647 1 31 49 GLU . 26647 1 32 50 ARG . 26647 1 33 51 SER . 26647 1 34 52 THR . 26647 1 35 53 ASP . 26647 1 36 54 THR . 26647 1 37 55 THR . 26647 1 38 56 LYS . 26647 1 39 57 THR . 26647 1 40 58 HIS . 26647 1 41 59 PRO . 26647 1 42 60 THR . 26647 1 43 61 ILE . 26647 1 44 62 LYS . 26647 1 45 63 ILE . 26647 1 46 64 ASN . 26647 1 47 65 GLY . 26647 1 48 66 TYR . 26647 1 49 67 THR . 26647 1 50 68 GLY . 26647 1 51 69 PRO . 26647 1 52 70 GLY . 26647 1 53 71 THR . 26647 1 54 72 VAL . 26647 1 55 73 ARG . 26647 1 56 74 ILE . 26647 1 57 75 SER . 26647 1 58 76 LEU . 26647 1 59 77 VAL . 26647 1 60 78 THR . 26647 1 61 79 LYS . 26647 1 62 80 ASP . 26647 1 63 81 PRO . 26647 1 64 82 PRO . 26647 1 65 83 HIS . 26647 1 66 84 ARG . 26647 1 67 85 PRO . 26647 1 68 86 HIS . 26647 1 69 87 PRO . 26647 1 70 88 HIS . 26647 1 71 89 GLU . 26647 1 72 90 LEU . 26647 1 73 91 VAL . 26647 1 74 92 GLY . 26647 1 75 93 LYS . 26647 1 76 94 ASP . 26647 1 77 95 CYS . 26647 1 78 96 ARG . 26647 1 79 97 ASP . 26647 1 80 98 GLY . 26647 1 81 99 TYR . 26647 1 82 100 TYR . 26647 1 83 101 GLU . 26647 1 84 102 ALA . 26647 1 85 103 ASP . 26647 1 86 104 LEU . 26647 1 87 105 CYS . 26647 1 88 106 PRO . 26647 1 89 107 ASP . 26647 1 90 108 ARG . 26647 1 91 109 SER . 26647 1 92 110 ILE . 26647 1 93 111 HIS . 26647 1 94 112 SER . 26647 1 95 113 PHE . 26647 1 96 114 GLN . 26647 1 97 115 ASN . 26647 1 98 116 LEU . 26647 1 99 117 GLY . 26647 1 100 118 ILE . 26647 1 101 119 GLN . 26647 1 102 120 CYS . 26647 1 103 121 VAL . 26647 1 104 122 LYS . 26647 1 105 123 LYS . 26647 1 106 124 ARG . 26647 1 107 125 ASP . 26647 1 108 126 LEU . 26647 1 109 127 GLU . 26647 1 110 128 GLN . 26647 1 111 129 ALA . 26647 1 112 130 ILE . 26647 1 113 131 SER . 26647 1 114 132 GLN . 26647 1 115 133 ARG . 26647 1 116 134 ILE . 26647 1 117 135 GLN . 26647 1 118 136 THR . 26647 1 119 137 ASN . 26647 1 120 138 ASN . 26647 1 121 139 ASN . 26647 1 122 140 PRO . 26647 1 123 141 PHE . 26647 1 124 142 HIS . 26647 1 125 143 VAL . 26647 1 126 144 PRO . 26647 1 127 145 ILE . 26647 1 128 146 GLU . 26647 1 129 147 GLU . 26647 1 130 148 GLN . 26647 1 131 149 ARG . 26647 1 132 150 GLY . 26647 1 133 151 ASP . 26647 1 134 152 TYR . 26647 1 135 153 ASP . 26647 1 136 154 LEU . 26647 1 137 155 ASN . 26647 1 138 156 ALA . 26647 1 139 157 VAL . 26647 1 140 158 ARG . 26647 1 141 159 LEU . 26647 1 142 160 CYS . 26647 1 143 161 PHE . 26647 1 144 162 GLN . 26647 1 145 163 VAL . 26647 1 146 164 THR . 26647 1 147 165 VAL . 26647 1 148 166 ARG . 26647 1 149 167 ASP . 26647 1 150 168 PRO . 26647 1 151 169 ALA . 26647 1 152 170 GLY . 26647 1 153 171 ARG . 26647 1 154 172 PRO . 26647 1 155 173 LEU . 26647 1 156 174 LEU . 26647 1 157 175 LEU . 26647 1 158 176 THR . 26647 1 159 177 PRO . 26647 1 160 178 VAL . 26647 1 161 179 LEU . 26647 1 162 180 SER . 26647 1 163 181 HIS . 26647 1 164 182 PRO . 26647 1 165 183 ILE . 26647 1 166 184 PHE . 26647 1 167 185 ASP . 26647 1 168 186 ASN . 26647 1 169 187 ARG . 26647 1 170 188 ALA . 26647 1 171 189 PRO . 26647 1 172 190 ASN . 26647 1 173 191 THR . 26647 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 . PRO 1 1 26647 1 . TYR 2 2 26647 1 . VAL 3 3 26647 1 . GLU 4 4 26647 1 . ILE 5 5 26647 1 . ILE 6 6 26647 1 . GLU 7 7 26647 1 . GLN 8 8 26647 1 . PRO 9 9 26647 1 . LYS 10 10 26647 1 . GLN 11 11 26647 1 . ARG 12 12 26647 1 . GLY 13 13 26647 1 . MET 14 14 26647 1 . ARG 15 15 26647 1 . PHE 16 16 26647 1 . ARG 17 17 26647 1 . TYR 18 18 26647 1 . LYS 19 19 26647 1 . CYS 20 20 26647 1 . GLU 21 21 26647 1 . GLY 22 22 26647 1 . ARG 23 23 26647 1 . SER 24 24 26647 1 . ALA 25 25 26647 1 . GLY 26 26 26647 1 . SER 27 27 26647 1 . ILE 28 28 26647 1 . PRO 29 29 26647 1 . GLY 30 30 26647 1 . GLU 31 31 26647 1 . ARG 32 32 26647 1 . SER 33 33 26647 1 . THR 34 34 26647 1 . ASP 35 35 26647 1 . THR 36 36 26647 1 . THR 37 37 26647 1 . LYS 38 38 26647 1 . THR 39 39 26647 1 . HIS 40 40 26647 1 . PRO 41 41 26647 1 . THR 42 42 26647 1 . ILE 43 43 26647 1 . LYS 44 44 26647 1 . ILE 45 45 26647 1 . ASN 46 46 26647 1 . GLY 47 47 26647 1 . TYR 48 48 26647 1 . THR 49 49 26647 1 . GLY 50 50 26647 1 . PRO 51 51 26647 1 . GLY 52 52 26647 1 . THR 53 53 26647 1 . VAL 54 54 26647 1 . ARG 55 55 26647 1 . ILE 56 56 26647 1 . SER 57 57 26647 1 . LEU 58 58 26647 1 . VAL 59 59 26647 1 . THR 60 60 26647 1 . LYS 61 61 26647 1 . ASP 62 62 26647 1 . PRO 63 63 26647 1 . PRO 64 64 26647 1 . HIS 65 65 26647 1 . ARG 66 66 26647 1 . PRO 67 67 26647 1 . HIS 68 68 26647 1 . PRO 69 69 26647 1 . HIS 70 70 26647 1 . GLU 71 71 26647 1 . LEU 72 72 26647 1 . VAL 73 73 26647 1 . GLY 74 74 26647 1 . LYS 75 75 26647 1 . ASP 76 76 26647 1 . CYS 77 77 26647 1 . ARG 78 78 26647 1 . ASP 79 79 26647 1 . GLY 80 80 26647 1 . TYR 81 81 26647 1 . TYR 82 82 26647 1 . GLU 83 83 26647 1 . ALA 84 84 26647 1 . ASP 85 85 26647 1 . LEU 86 86 26647 1 . CYS 87 87 26647 1 . PRO 88 88 26647 1 . ASP 89 89 26647 1 . ARG 90 90 26647 1 . SER 91 91 26647 1 . ILE 92 92 26647 1 . HIS 93 93 26647 1 . SER 94 94 26647 1 . PHE 95 95 26647 1 . GLN 96 96 26647 1 . ASN 97 97 26647 1 . LEU 98 98 26647 1 . GLY 99 99 26647 1 . ILE 100 100 26647 1 . GLN 101 101 26647 1 . CYS 102 102 26647 1 . VAL 103 103 26647 1 . LYS 104 104 26647 1 . LYS 105 105 26647 1 . ARG 106 106 26647 1 . ASP 107 107 26647 1 . LEU 108 108 26647 1 . GLU 109 109 26647 1 . GLN 110 110 26647 1 . ALA 111 111 26647 1 . ILE 112 112 26647 1 . SER 113 113 26647 1 . GLN 114 114 26647 1 . ARG 115 115 26647 1 . ILE 116 116 26647 1 . GLN 117 117 26647 1 . THR 118 118 26647 1 . ASN 119 119 26647 1 . ASN 120 120 26647 1 . ASN 121 121 26647 1 . PRO 122 122 26647 1 . PHE 123 123 26647 1 . HIS 124 124 26647 1 . VAL 125 125 26647 1 . PRO 126 126 26647 1 . ILE 127 127 26647 1 . GLU 128 128 26647 1 . GLU 129 129 26647 1 . GLN 130 130 26647 1 . ARG 131 131 26647 1 . GLY 132 132 26647 1 . ASP 133 133 26647 1 . TYR 134 134 26647 1 . ASP 135 135 26647 1 . LEU 136 136 26647 1 . ASN 137 137 26647 1 . ALA 138 138 26647 1 . VAL 139 139 26647 1 . ARG 140 140 26647 1 . LEU 141 141 26647 1 . CYS 142 142 26647 1 . PHE 143 143 26647 1 . GLN 144 144 26647 1 . VAL 145 145 26647 1 . THR 146 146 26647 1 . VAL 147 147 26647 1 . ARG 148 148 26647 1 . ASP 149 149 26647 1 . PRO 150 150 26647 1 . ALA 151 151 26647 1 . GLY 152 152 26647 1 . ARG 153 153 26647 1 . PRO 154 154 26647 1 . LEU 155 155 26647 1 . LEU 156 156 26647 1 . LEU 157 157 26647 1 . THR 158 158 26647 1 . PRO 159 159 26647 1 . VAL 160 160 26647 1 . LEU 161 161 26647 1 . SER 162 162 26647 1 . HIS 163 163 26647 1 . PRO 164 164 26647 1 . ILE 165 165 26647 1 . PHE 166 166 26647 1 . ASP 167 167 26647 1 . ASN 168 168 26647 1 . ARG 169 169 26647 1 . ALA 170 170 26647 1 . PRO 171 171 26647 1 . ASN 172 172 26647 1 . THR 173 173 26647 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26647 _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 $p65DBD . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26647 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 26647 _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 $p65DBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pET . . . 26647 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26647 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p65DBD '[U-100% 13C; U-100% 15N]' . . 1 $p65DBD . . 0.3 . . mM 0.1 . . . 26647 1 2 TRIS '[U-100% 2H]' . . . . . . 20 . . mM . . . . 26647 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26647 1 4 DTT '[U-100% 2H]' . . . . . . 2 . . mM . . . . 26647 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26647 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26647 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26647 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'normal conditions for this sample' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 26647 1 pH 6.8 . pH 26647 1 pressure 1 . atm 26647 1 temperature 298 . K 26647 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26647 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26647 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26647 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26647 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26647 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 26647 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 26647 1 2 spectrometer_2 Bruker Avance . 750 . . . 26647 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 26647 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26647 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26647 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26647 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26647 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26647 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26647 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbon' . . . . ppm 0.0 na indirect 0.2511495 . . . . . 26647 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 na direct 1 . . . . . 26647 1 N 15 na nitrogen . . . . ppm 0.0 na indirect 0.1013291 . . . . . 26647 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26647 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26647 1 2 '3D HNCA' . . . 26647 1 3 '3D HNCACB' . . . 26647 1 4 '3D HN(CO)CA' . . . 26647 1 5 '3D HNCO' . . . 26647 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 26647 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL H H 1 7.89 0.01 . 1 . . . . 21 VAL H . 26647 1 2 . 1 1 3 3 VAL HA H 1 4.28 0.01 . 1 . . . . 21 VAL HA . 26647 1 3 . 1 1 3 3 VAL HG11 H 1 0.88 0.01 . 2 . . . . 21 VAL MG1 . 26647 1 4 . 1 1 3 3 VAL HG12 H 1 0.88 0.01 . 2 . . . . 21 VAL MG1 . 26647 1 5 . 1 1 3 3 VAL HG13 H 1 0.88 0.01 . 2 . . . . 21 VAL MG1 . 26647 1 6 . 1 1 3 3 VAL CA C 13 58.60 0.01 . 1 . . . . 21 VAL CA . 26647 1 7 . 1 1 3 3 VAL N N 15 124.06 0.01 . 1 . . . . 21 VAL N . 26647 1 8 . 1 1 4 4 GLU H H 1 8.97 0.01 . 1 . . . . 22 GLU H . 26647 1 9 . 1 1 4 4 GLU HA H 1 4.73 0.01 . 1 . . . . 22 GLU HA . 26647 1 10 . 1 1 4 4 GLU HB2 H 1 2.06 0.01 . 2 . . . . 22 GLU HB2 . 26647 1 11 . 1 1 4 4 GLU HB3 H 1 1.85 0.01 . 2 . . . . 22 GLU HB3 . 26647 1 12 . 1 1 4 4 GLU CA C 13 50.78 0.01 . 1 . . . . 22 GLU CA . 26647 1 13 . 1 1 4 4 GLU CB C 13 31.31 0.01 . 1 . . . . 22 GLU CB . 26647 1 14 . 1 1 4 4 GLU N N 15 125.35 0.01 . 1 . . . . 22 GLU N . 26647 1 15 . 1 1 5 5 ILE H H 1 9.16 0.01 . 1 . . . . 23 ILE H . 26647 1 16 . 1 1 5 5 ILE HA H 1 3.93 0.01 . 1 . . . . 23 ILE HA . 26647 1 17 . 1 1 5 5 ILE HB H 1 1.66 0.01 . 1 . . . . 23 ILE HB . 26647 1 18 . 1 1 5 5 ILE CA C 13 59.27 0.01 . 1 . . . . 23 ILE CA . 26647 1 19 . 1 1 5 5 ILE CB C 13 34.25 0.01 . 1 . . . . 23 ILE CB . 26647 1 20 . 1 1 5 5 ILE N N 15 124.99 0.01 . 1 . . . . 23 ILE N . 26647 1 21 . 1 1 6 6 ILE H H 1 7.85 0.01 . 1 . . . . 24 ILE H . 26647 1 22 . 1 1 6 6 ILE HA H 1 3.98 0.01 . 1 . . . . 24 ILE HA . 26647 1 23 . 1 1 6 6 ILE HB H 1 1.72 0.01 . 1 . . . . 24 ILE HB . 26647 1 24 . 1 1 6 6 ILE CA C 13 58.04 0.01 . 1 . . . . 24 ILE CA . 26647 1 25 . 1 1 6 6 ILE CB C 13 34.86 0.01 . 1 . . . . 24 ILE CB . 26647 1 26 . 1 1 6 6 ILE N N 15 124.54 0.01 . 1 . . . . 24 ILE N . 26647 1 27 . 1 1 7 7 GLU H H 1 7.64 0.01 . 1 . . . . 25 GLU H . 26647 1 28 . 1 1 7 7 GLU HA H 1 4.85 0.01 . 1 . . . . 25 GLU HA . 26647 1 29 . 1 1 7 7 GLU HB2 H 1 1.88 0.01 . 2 . . . . 25 GLU HB2 . 26647 1 30 . 1 1 7 7 GLU CA C 13 53.52 0.01 . 1 . . . . 25 GLU CA . 26647 1 31 . 1 1 7 7 GLU CB C 13 28.63 0.01 . 1 . . . . 25 GLU CB . 26647 1 32 . 1 1 7 7 GLU N N 15 123.00 0.01 . 1 . . . . 25 GLU N . 26647 1 33 . 1 1 8 8 GLN H H 1 9.10 0.01 . 1 . . . . 26 GLN H . 26647 1 34 . 1 1 8 8 GLN HA H 1 4.01 0.01 . 1 . . . . 26 GLN HA . 26647 1 35 . 1 1 8 8 GLN CA C 13 51.80 0.01 . 1 . . . . 26 GLN CA . 26647 1 36 . 1 1 8 8 GLN CB C 13 23.38 0.01 . 1 . . . . 26 GLN CB . 26647 1 37 . 1 1 8 8 GLN N N 15 127.19 0.01 . 1 . . . . 26 GLN N . 26647 1 38 . 1 1 10 10 LYS H H 1 8.47 0.01 . 1 . . . . 28 LYS H . 26647 1 39 . 1 1 10 10 LYS HA H 1 4.09 0.01 . 1 . . . . 28 LYS HA . 26647 1 40 . 1 1 10 10 LYS HB2 H 1 1.65 0.01 . 2 . . . . 28 LYS HB2 . 26647 1 41 . 1 1 10 10 LYS CA C 13 54.29 0.01 . 1 . . . . 28 LYS CA . 26647 1 42 . 1 1 10 10 LYS CB C 13 29.52 0.01 . 1 . . . . 28 LYS CB . 26647 1 43 . 1 1 10 10 LYS N N 15 124.35 0.01 . 1 . . . . 28 LYS N . 26647 1 44 . 1 1 11 11 GLN H H 1 8.82 0.01 . 1 . . . . 29 GLN H . 26647 1 45 . 1 1 11 11 GLN HA H 1 4.34 0.01 . 1 . . . . 29 GLN HA . 26647 1 46 . 1 1 11 11 GLN CA C 13 57.20 0.01 . 1 . . . . 29 GLN CA . 26647 1 47 . 1 1 11 11 GLN CB C 13 28.45 0.01 . 1 . . . . 29 GLN CB . 26647 1 48 . 1 1 11 11 GLN N N 15 124.54 0.01 . 1 . . . . 29 GLN N . 26647 1 49 . 1 1 12 12 ARG H H 1 7.85 0.01 . 1 . . . . 30 ARG H . 26647 1 50 . 1 1 12 12 ARG HA H 1 5.04 0.01 . 1 . . . . 30 ARG HA . 26647 1 51 . 1 1 12 12 ARG HB2 H 1 1.76 0.01 . 2 . . . . 30 ARG HB2 . 26647 1 52 . 1 1 12 12 ARG HB3 H 1 1.55 0.01 . 2 . . . . 30 ARG HB3 . 26647 1 53 . 1 1 12 12 ARG CA C 13 51.50 0.01 . 1 . . . . 30 ARG CA . 26647 1 54 . 1 1 12 12 ARG CB C 13 29.44 0.01 . 1 . . . . 30 ARG CB . 26647 1 55 . 1 1 12 12 ARG N N 15 114.72 0.01 . 1 . . . . 30 ARG N . 26647 1 56 . 1 1 13 13 GLY H H 1 8.93 0.01 . 1 . . . . 31 GLY H . 26647 1 57 . 1 1 13 13 GLY HA2 H 1 4.08 0.01 . 2 . . . . 31 GLY HA2 . 26647 1 58 . 1 1 13 13 GLY HA3 H 1 3.81 0.01 . 2 . . . . 31 GLY HA3 . 26647 1 59 . 1 1 13 13 GLY CA C 13 42.22 0.01 . 1 . . . . 31 GLY CA . 26647 1 60 . 1 1 13 13 GLY N N 15 109.18 0.01 . 1 . . . . 31 GLY N . 26647 1 61 . 1 1 14 14 MET H H 1 8.37 0.01 . 1 . . . . 32 MET H . 26647 1 62 . 1 1 14 14 MET HA H 1 4.65 0.01 . 1 . . . . 32 MET HA . 26647 1 63 . 1 1 14 14 MET HB2 H 1 2.01 0.01 . 2 . . . . 32 MET HB2 . 26647 1 64 . 1 1 14 14 MET HG2 H 1 2.49 0.01 . 2 . . . . 32 MET HG2 . 26647 1 65 . 1 1 14 14 MET CA C 13 51.80 0.01 . 1 . . . . 32 MET CA . 26647 1 66 . 1 1 14 14 MET CB C 13 31.44 0.01 . 1 . . . . 32 MET CB . 26647 1 67 . 1 1 14 14 MET N N 15 122.66 0.01 . 1 . . . . 32 MET N . 26647 1 68 . 1 1 15 15 ARG H H 1 8.40 0.01 . 1 . . . . 33 ARG H . 26647 1 69 . 1 1 15 15 ARG HA H 1 4.51 0.01 . 1 . . . . 33 ARG HA . 26647 1 70 . 1 1 15 15 ARG HB2 H 1 1.75 0.01 . 2 . . . . 33 ARG HB2 . 26647 1 71 . 1 1 15 15 ARG CA C 13 51.69 0.01 . 1 . . . . 33 ARG CA . 26647 1 72 . 1 1 15 15 ARG CB C 13 27.96 0.01 . 1 . . . . 33 ARG CB . 26647 1 73 . 1 1 15 15 ARG N N 15 125.19 0.01 . 1 . . . . 33 ARG N . 26647 1 74 . 1 1 16 16 PHE H H 1 9.13 0.01 . 1 . . . . 34 PHE H . 26647 1 75 . 1 1 16 16 PHE HA H 1 4.60 0.01 . 1 . . . . 34 PHE HA . 26647 1 76 . 1 1 16 16 PHE HB2 H 1 2.85 0.01 . 2 . . . . 34 PHE HB2 . 26647 1 77 . 1 1 16 16 PHE CA C 13 50.91 0.01 . 1 . . . . 34 PHE CA . 26647 1 78 . 1 1 16 16 PHE CB C 13 33.16 0.01 . 1 . . . . 34 PHE CB . 26647 1 79 . 1 1 16 16 PHE N N 15 127.77 0.01 . 1 . . . . 34 PHE N . 26647 1 80 . 1 1 17 17 ARG H H 1 8.22 0.01 . 1 . . . . 35 ARG H . 26647 1 81 . 1 1 17 17 ARG HA H 1 3.64 0.01 . 1 . . . . 35 ARG HA . 26647 1 82 . 1 1 17 17 ARG HB2 H 1 2.21 0.01 . 2 . . . . 35 ARG HB2 . 26647 1 83 . 1 1 17 17 ARG CA C 13 52.11 0.01 . 1 . . . . 35 ARG CA . 26647 1 84 . 1 1 17 17 ARG CB C 13 29.30 0.01 . 1 . . . . 35 ARG CB . 26647 1 85 . 1 1 17 17 ARG N N 15 122.60 0.01 . 1 . . . . 35 ARG N . 26647 1 86 . 1 1 18 18 TYR H H 1 8.79 0.01 . 1 . . . . 36 TYR H . 26647 1 87 . 1 1 18 18 TYR HA H 1 4.74 0.01 . 1 . . . . 36 TYR HA . 26647 1 88 . 1 1 18 18 TYR HB2 H 1 2.82 0.01 . 2 . . . . 36 TYR HB2 . 26647 1 89 . 1 1 18 18 TYR HB3 H 1 2.02 0.01 . 2 . . . . 36 TYR HB3 . 26647 1 90 . 1 1 18 18 TYR CA C 13 54.49 0.01 . 1 . . . . 36 TYR CA . 26647 1 91 . 1 1 18 18 TYR CB C 13 36.69 0.01 . 1 . . . . 36 TYR CB . 26647 1 92 . 1 1 18 18 TYR N N 15 122.75 0.01 . 1 . . . . 36 TYR N . 26647 1 93 . 1 1 19 19 LYS H H 1 8.98 0.01 . 1 . . . . 37 LYS H . 26647 1 94 . 1 1 19 19 LYS CA C 13 56.15 0.01 . 1 . . . . 37 LYS CA . 26647 1 95 . 1 1 19 19 LYS CB C 13 29.67 0.01 . 1 . . . . 37 LYS CB . 26647 1 96 . 1 1 19 19 LYS N N 15 124.04 0.01 . 1 . . . . 37 LYS N . 26647 1 97 . 1 1 21 21 GLU H H 1 7.85 0.01 . 1 . . . . 39 GLU H . 26647 1 98 . 1 1 21 21 GLU HA H 1 4.30 0.01 . 1 . . . . 39 GLU HA . 26647 1 99 . 1 1 21 21 GLU HB2 H 1 2.17 0.01 . 2 . . . . 39 GLU HB2 . 26647 1 100 . 1 1 21 21 GLU CA C 13 53.97 0.01 . 1 . . . . 39 GLU CA . 26647 1 101 . 1 1 21 21 GLU CB C 13 27.47 0.01 . 1 . . . . 39 GLU CB . 26647 1 102 . 1 1 21 21 GLU N N 15 121.82 0.01 . 1 . . . . 39 GLU N . 26647 1 103 . 1 1 22 22 GLY H H 1 8.07 0.01 . 1 . . . . 40 GLY H . 26647 1 104 . 1 1 22 22 GLY CA C 13 42.29 0.01 . 1 . . . . 40 GLY CA . 26647 1 105 . 1 1 22 22 GLY N N 15 108.40 0.01 . 1 . . . . 40 GLY N . 26647 1 106 . 1 1 23 23 ARG H H 1 8.11 0.01 . 1 . . . . 41 ARG H . 26647 1 107 . 1 1 23 23 ARG HA H 1 4.04 0.01 . 1 . . . . 41 ARG HA . 26647 1 108 . 1 1 23 23 ARG CA C 13 52.70 0.01 . 1 . . . . 41 ARG CA . 26647 1 109 . 1 1 23 23 ARG CB C 13 27.96 0.01 . 1 . . . . 41 ARG CB . 26647 1 110 . 1 1 23 23 ARG N N 15 119.46 0.01 . 1 . . . . 41 ARG N . 26647 1 111 . 1 1 24 24 SER H H 1 8.36 0.01 . 1 . . . . 42 SER H . 26647 1 112 . 1 1 24 24 SER HA H 1 4.19 0.01 . 1 . . . . 42 SER HA . 26647 1 113 . 1 1 24 24 SER CA C 13 55.16 0.01 . 1 . . . . 42 SER CA . 26647 1 114 . 1 1 24 24 SER CB C 13 60.76 0.01 . 1 . . . . 42 SER CB . 26647 1 115 . 1 1 24 24 SER N N 15 117.18 0.01 . 1 . . . . 42 SER N . 26647 1 116 . 1 1 25 25 ALA H H 1 8.40 0.01 . 1 . . . . 43 ALA H . 26647 1 117 . 1 1 25 25 ALA HA H 1 4.36 0.01 . 1 . . . . 43 ALA HA . 26647 1 118 . 1 1 25 25 ALA HB1 H 1 1.34 0.01 . 1 . . . . 43 ALA MB . 26647 1 119 . 1 1 25 25 ALA HB2 H 1 1.34 0.01 . 1 . . . . 43 ALA MB . 26647 1 120 . 1 1 25 25 ALA HB3 H 1 1.34 0.01 . 1 . . . . 43 ALA MB . 26647 1 121 . 1 1 25 25 ALA CA C 13 49.34 0.01 . 1 . . . . 43 ALA CA . 26647 1 122 . 1 1 25 25 ALA CB C 13 16.41 0.01 . 1 . . . . 43 ALA CB . 26647 1 123 . 1 1 25 25 ALA N N 15 126.22 0.01 . 1 . . . . 43 ALA N . 26647 1 124 . 1 1 26 26 GLY H H 1 8.19 0.01 . 1 . . . . 44 GLY H . 26647 1 125 . 1 1 26 26 GLY HA2 H 1 3.99 0.01 . 2 . . . . 44 GLY HA2 . 26647 1 126 . 1 1 26 26 GLY CA C 13 41.66 0.01 . 1 . . . . 44 GLY CA . 26647 1 127 . 1 1 26 26 GLY N N 15 108.18 0.01 . 1 . . . . 44 GLY N . 26647 1 128 . 1 1 27 27 SER H H 1 8.00 0.01 . 1 . . . . 45 SER H . 26647 1 129 . 1 1 27 27 SER HA H 1 4.21 0.01 . 1 . . . . 45 SER HA . 26647 1 130 . 1 1 27 27 SER HB2 H 1 3.97 0.01 . 2 . . . . 45 SER HB2 . 26647 1 131 . 1 1 27 27 SER CA C 13 54.25 0.01 . 1 . . . . 45 SER CA . 26647 1 132 . 1 1 27 27 SER N N 15 116.00 0.01 . 1 . . . . 45 SER N . 26647 1 133 . 1 1 28 28 ILE H H 1 8.79 0.01 . 1 . . . . 46 ILE H . 26647 1 134 . 1 1 28 28 ILE HA H 1 4.29 0.01 . 1 . . . . 46 ILE HA . 26647 1 135 . 1 1 28 28 ILE HB H 1 1.75 0.01 . 1 . . . . 46 ILE HB . 26647 1 136 . 1 1 28 28 ILE CA C 13 57.34 0.01 . 1 . . . . 46 ILE CA . 26647 1 137 . 1 1 28 28 ILE CB C 13 37.30 0.01 . 1 . . . . 46 ILE CB . 26647 1 138 . 1 1 28 28 ILE N N 15 124.20 0.01 . 1 . . . . 46 ILE N . 26647 1 139 . 1 1 29 29 PRO CA C 13 58.50 0.01 . 1 . . . . 47 PRO CA . 26647 1 140 . 1 1 30 30 GLY H H 1 7.82 0.01 . 1 . . . . 48 GLY H . 26647 1 141 . 1 1 30 30 GLY HA2 H 1 4.23 0.01 . 2 . . . . 48 GLY HA2 . 26647 1 142 . 1 1 30 30 GLY CA C 13 40.99 0.01 . 1 . . . . 48 GLY CA . 26647 1 143 . 1 1 30 30 GLY N N 15 106.89 0.01 . 1 . . . . 48 GLY N . 26647 1 144 . 1 1 31 31 GLU H H 1 8.67 0.01 . 1 . . . . 49 GLU H . 26647 1 145 . 1 1 31 31 GLU HA H 1 3.80 0.01 . 1 . . . . 49 GLU HA . 26647 1 146 . 1 1 31 31 GLU CA C 13 56.25 0.01 . 1 . . . . 49 GLU CA . 26647 1 147 . 1 1 31 31 GLU CB C 13 26.86 0.01 . 1 . . . . 49 GLU CB . 26647 1 148 . 1 1 31 31 GLU N N 15 122.31 0.01 . 1 . . . . 49 GLU N . 26647 1 149 . 1 1 32 32 ARG H H 1 9.35 0.01 . 1 . . . . 50 ARG H . 26647 1 150 . 1 1 32 32 ARG HA H 1 4.32 0.01 . 1 . . . . 50 ARG HA . 26647 1 151 . 1 1 32 32 ARG HB2 H 1 1.97 0.01 . 2 . . . . 50 ARG HB2 . 26647 1 152 . 1 1 32 32 ARG HG2 H 1 1.59 0.01 . 2 . . . . 50 ARG HG2 . 26647 1 153 . 1 1 32 32 ARG CA C 13 53.20 0.01 . 1 . . . . 50 ARG CA . 26647 1 154 . 1 1 32 32 ARG CB C 13 26.06 0.01 . 1 . . . . 50 ARG CB . 26647 1 155 . 1 1 32 32 ARG N N 15 118.66 0.01 . 1 . . . . 50 ARG N . 26647 1 156 . 1 1 33 33 SER H H 1 7.46 0.01 . 1 . . . . 51 SER H . 26647 1 157 . 1 1 33 33 SER HA H 1 4.29 0.01 . 1 . . . . 51 SER HA . 26647 1 158 . 1 1 33 33 SER CA C 13 57.97 0.01 . 1 . . . . 51 SER CA . 26647 1 159 . 1 1 33 33 SER CB C 13 61.67 0.01 . 1 . . . . 51 SER CB . 26647 1 160 . 1 1 33 33 SER N N 15 117.02 0.01 . 1 . . . . 51 SER N . 26647 1 161 . 1 1 34 34 THR H H 1 8.66 0.01 . 1 . . . . 52 THR H . 26647 1 162 . 1 1 34 34 THR HA H 1 4.79 0.01 . 1 . . . . 52 THR HA . 26647 1 163 . 1 1 34 34 THR HG21 H 1 1.24 0.01 . 1 . . . . 52 THR MG . 26647 1 164 . 1 1 34 34 THR HG22 H 1 1.24 0.01 . 1 . . . . 52 THR MG . 26647 1 165 . 1 1 34 34 THR HG23 H 1 1.24 0.01 . 1 . . . . 52 THR MG . 26647 1 166 . 1 1 34 34 THR CA C 13 56.67 0.01 . 1 . . . . 52 THR CA . 26647 1 167 . 1 1 34 34 THR CB C 13 69.74 0.01 . 1 . . . . 52 THR CB . 26647 1 168 . 1 1 34 34 THR N N 15 118.21 0.01 . 1 . . . . 52 THR N . 26647 1 169 . 1 1 35 35 ASP H H 1 8.60 0.01 . 1 . . . . 53 ASP H . 26647 1 170 . 1 1 35 35 ASP CA C 13 53.97 0.01 . 1 . . . . 53 ASP CA . 26647 1 171 . 1 1 35 35 ASP CB C 13 37.49 0.01 . 1 . . . . 53 ASP CB . 26647 1 172 . 1 1 35 35 ASP N N 15 117.12 0.01 . 1 . . . . 53 ASP N . 26647 1 173 . 1 1 36 36 THR H H 1 7.75 0.01 . 1 . . . . 54 THR H . 26647 1 174 . 1 1 36 36 THR HA H 1 4.35 0.01 . 1 . . . . 54 THR HA . 26647 1 175 . 1 1 36 36 THR CA C 13 59.86 0.01 . 1 . . . . 54 THR CA . 26647 1 176 . 1 1 36 36 THR CB C 13 66.97 0.01 . 1 . . . . 54 THR CB . 26647 1 177 . 1 1 36 36 THR N N 15 107.80 0.01 . 1 . . . . 54 THR N . 26647 1 178 . 1 1 37 37 THR H H 1 7.51 0.01 . 1 . . . . 55 THR H . 26647 1 179 . 1 1 37 37 THR HA H 1 4.39 0.01 . 1 . . . . 55 THR HA . 26647 1 180 . 1 1 37 37 THR HB H 1 3.91 0.01 . 1 . . . . 55 THR HB . 26647 1 181 . 1 1 37 37 THR HG21 H 1 1.04 0.01 . 1 . . . . 55 THR MG . 26647 1 182 . 1 1 37 37 THR HG22 H 1 1.04 0.01 . 1 . . . . 55 THR MG . 26647 1 183 . 1 1 37 37 THR HG23 H 1 1.04 0.01 . 1 . . . . 55 THR MG . 26647 1 184 . 1 1 37 37 THR CA C 13 58.67 0.01 . 1 . . . . 55 THR CA . 26647 1 185 . 1 1 37 37 THR CB C 13 67.23 0.01 . 1 . . . . 55 THR CB . 26647 1 186 . 1 1 37 37 THR N N 15 120.26 0.01 . 1 . . . . 55 THR N . 26647 1 187 . 1 1 38 38 LYS H H 1 8.68 0.01 . 1 . . . . 56 LYS H . 26647 1 188 . 1 1 38 38 LYS HA H 1 4.55 0.01 . 1 . . . . 56 LYS HA . 26647 1 189 . 1 1 38 38 LYS HB2 H 1 1.71 0.01 . 2 . . . . 56 LYS HB2 . 26647 1 190 . 1 1 38 38 LYS HG2 H 1 1.39 0.01 . 2 . . . . 56 LYS HG2 . 26647 1 191 . 1 1 38 38 LYS CA C 13 52.76 0.01 . 1 . . . . 56 LYS CA . 26647 1 192 . 1 1 38 38 LYS CB C 13 29.37 0.01 . 1 . . . . 56 LYS CB . 26647 1 193 . 1 1 38 38 LYS N N 15 128.59 0.01 . 1 . . . . 56 LYS N . 26647 1 194 . 1 1 39 39 THR H H 1 7.91 0.01 . 1 . . . . 57 THR H . 26647 1 195 . 1 1 39 39 THR HA H 1 4.38 0.01 . 1 . . . . 57 THR HA . 26647 1 196 . 1 1 39 39 THR HG21 H 1 1.59 0.01 . 1 . . . . 57 THR MG . 26647 1 197 . 1 1 39 39 THR HG22 H 1 1.59 0.01 . 1 . . . . 57 THR MG . 26647 1 198 . 1 1 39 39 THR HG23 H 1 1.59 0.01 . 1 . . . . 57 THR MG . 26647 1 199 . 1 1 39 39 THR CA C 13 56.92 0.01 . 1 . . . . 57 THR CA . 26647 1 200 . 1 1 39 39 THR CB C 13 66.90 0.01 . 1 . . . . 57 THR CB . 26647 1 201 . 1 1 39 39 THR N N 15 114.81 0.01 . 1 . . . . 57 THR N . 26647 1 202 . 1 1 40 40 HIS H H 1 8.23 0.01 . 1 . . . . 58 HIS H . 26647 1 203 . 1 1 40 40 HIS HA H 1 5.13 0.01 . 1 . . . . 58 HIS HA . 26647 1 204 . 1 1 40 40 HIS HB2 H 1 3.18 0.01 . 2 . . . . 58 HIS HB2 . 26647 1 205 . 1 1 40 40 HIS HB3 H 1 2.21 0.01 . 2 . . . . 58 HIS HB3 . 26647 1 206 . 1 1 40 40 HIS CA C 13 51.92 0.01 . 1 . . . . 58 HIS CA . 26647 1 207 . 1 1 40 40 HIS CB C 13 29.30 0.01 . 1 . . . . 58 HIS CB . 26647 1 208 . 1 1 40 40 HIS N N 15 117.77 0.01 . 1 . . . . 58 HIS N . 26647 1 209 . 1 1 41 41 PRO CA C 13 60.44 0.01 . 1 . . . . 59 PRO CA . 26647 1 210 . 1 1 42 42 THR H H 1 8.94 0.01 . 1 . . . . 60 THR H . 26647 1 211 . 1 1 42 42 THR HA H 1 5.39 0.01 . 1 . . . . 60 THR HA . 26647 1 212 . 1 1 42 42 THR HB H 1 3.78 0.01 . 1 . . . . 60 THR HB . 26647 1 213 . 1 1 42 42 THR HG21 H 1 0.98 0.01 . 1 . . . . 60 THR HG1 . 26647 1 214 . 1 1 42 42 THR HG22 H 1 0.98 0.01 . 1 . . . . 60 THR HG1 . 26647 1 215 . 1 1 42 42 THR HG23 H 1 0.98 0.01 . 1 . . . . 60 THR HG1 . 26647 1 216 . 1 1 42 42 THR CA C 13 59.23 0.01 . 1 . . . . 60 THR CA . 26647 1 217 . 1 1 42 42 THR CB C 13 70.71 0.01 . 1 . . . . 60 THR CB . 26647 1 218 . 1 1 42 42 THR N N 15 119.69 0.01 . 1 . . . . 60 THR N . 26647 1 219 . 1 1 43 43 ILE H H 1 9.16 0.01 . 1 . . . . 61 ILE H . 26647 1 220 . 1 1 43 43 ILE HA H 1 5.11 0.01 . 1 . . . . 61 ILE HA . 26647 1 221 . 1 1 43 43 ILE CA C 13 55.76 0.01 . 1 . . . . 61 ILE CA . 26647 1 222 . 1 1 43 43 ILE CB C 13 38.04 0.01 . 1 . . . . 61 ILE CB . 26647 1 223 . 1 1 43 43 ILE N N 15 119.43 0.01 . 1 . . . . 61 ILE N . 26647 1 224 . 1 1 44 44 LYS H H 1 9.23 0.01 . 1 . . . . 62 LYS H . 26647 1 225 . 1 1 44 44 LYS HA H 1 5.30 0.01 . 1 . . . . 62 LYS HA . 26647 1 226 . 1 1 44 44 LYS HB2 H 1 1.62 0.01 . 2 . . . . 62 LYS HB2 . 26647 1 227 . 1 1 44 44 LYS HG2 H 1 1.42 0.01 . 2 . . . . 62 LYS HG2 . 26647 1 228 . 1 1 44 44 LYS CA C 13 50.96 0.01 . 1 . . . . 62 LYS CA . 26647 1 229 . 1 1 44 44 LYS CB C 13 34.86 0.01 . 1 . . . . 62 LYS CB . 26647 1 230 . 1 1 44 44 LYS N N 15 122.17 0.01 . 1 . . . . 62 LYS N . 26647 1 231 . 1 1 45 45 ILE H H 1 8.85 0.01 . 1 . . . . 63 ILE H . 26647 1 232 . 1 1 45 45 ILE HA H 1 4.33 0.01 . 1 . . . . 63 ILE HA . 26647 1 233 . 1 1 45 45 ILE HB H 1 2.37 0.01 . 1 . . . . 63 ILE HB . 26647 1 234 . 1 1 45 45 ILE CA C 13 57.09 0.01 . 1 . . . . 63 ILE CA . 26647 1 235 . 1 1 45 45 ILE N N 15 126.07 0.01 . 1 . . . . 63 ILE N . 26647 1 236 . 1 1 46 46 ASN H H 1 8.69 0.01 . 1 . . . . 64 ASN H . 26647 1 237 . 1 1 46 46 ASN HA H 1 4.47 0.01 . 1 . . . . 64 ASN HA . 26647 1 238 . 1 1 46 46 ASN HB2 H 1 2.04 0.01 . 2 . . . . 64 ASN HB2 . 26647 1 239 . 1 1 46 46 ASN CA C 13 50.29 0.01 . 1 . . . . 64 ASN CA . 26647 1 240 . 1 1 46 46 ASN CB C 13 36.86 0.01 . 1 . . . . 64 ASN CB . 26647 1 241 . 1 1 46 46 ASN N N 15 126.44 0.01 . 1 . . . . 64 ASN N . 26647 1 242 . 1 1 47 47 GLY H H 1 8.67 0.01 . 1 . . . . 65 GLY H . 26647 1 243 . 1 1 47 47 GLY CA C 13 42.38 0.01 . 1 . . . . 65 GLY CA . 26647 1 244 . 1 1 47 47 GLY N N 15 110.94 0.01 . 1 . . . . 65 GLY N . 26647 1 245 . 1 1 48 48 TYR H H 1 7.36 0.01 . 1 . . . . 66 TYR H . 26647 1 246 . 1 1 48 48 TYR HA H 1 4.53 0.01 . 1 . . . . 66 TYR HA . 26647 1 247 . 1 1 48 48 TYR HB2 H 1 2.87 0.01 . 2 . . . . 66 TYR HB2 . 26647 1 248 . 1 1 48 48 TYR HB3 H 1 2.33 0.01 . 2 . . . . 66 TYR HB3 . 26647 1 249 . 1 1 48 48 TYR CA C 13 56.64 0.01 . 1 . . . . 66 TYR CA . 26647 1 250 . 1 1 48 48 TYR CB C 13 38.59 0.01 . 1 . . . . 66 TYR CB . 26647 1 251 . 1 1 48 48 TYR N N 15 118.48 0.01 . 1 . . . . 66 TYR N . 26647 1 252 . 1 1 49 49 THR H H 1 7.25 0.01 . 1 . . . . 67 THR H . 26647 1 253 . 1 1 49 49 THR HA H 1 3.99 0.01 . 1 . . . . 67 THR HA . 26647 1 254 . 1 1 49 49 THR HB H 1 3.68 0.01 . 1 . . . . 67 THR HB . 26647 1 255 . 1 1 49 49 THR HG21 H 1 0.88 0.01 . 1 . . . . 67 THR MG . 26647 1 256 . 1 1 49 49 THR HG22 H 1 0.88 0.01 . 1 . . . . 67 THR MG . 26647 1 257 . 1 1 49 49 THR HG23 H 1 0.88 0.01 . 1 . . . . 67 THR MG . 26647 1 258 . 1 1 49 49 THR CA C 13 58.57 0.01 . 1 . . . . 67 THR CA . 26647 1 259 . 1 1 49 49 THR CB C 13 67.96 0.01 . 1 . . . . 67 THR CB . 26647 1 260 . 1 1 49 49 THR N N 15 123.17 0.01 . 1 . . . . 67 THR N . 26647 1 261 . 1 1 50 50 GLY H H 1 8.16 0.01 . 1 . . . . 68 GLY H . 26647 1 262 . 1 1 50 50 GLY HA2 H 1 4.26 0.01 . 2 . . . . 68 GLY HA2 . 26647 1 263 . 1 1 50 50 GLY HA3 H 1 3.83 0.01 . 2 . . . . 68 GLY HA3 . 26647 1 264 . 1 1 50 50 GLY CA C 13 41.42 0.01 . 1 . . . . 68 GLY CA . 26647 1 265 . 1 1 50 50 GLY N N 15 113.48 0.01 . 1 . . . . 68 GLY N . 26647 1 266 . 1 1 51 51 PRO CA C 13 59.44 0.01 . 1 . . . . 69 PRO CA . 26647 1 267 . 1 1 51 51 PRO CB C 13 30.05 0.01 . 1 . . . . 69 PRO CB . 26647 1 268 . 1 1 52 52 GLY H H 1 8.40 0.01 . 1 . . . . 70 GLY H . 26647 1 269 . 1 1 52 52 GLY HA2 H 1 4.45 0.01 . 2 . . . . 70 GLY HA2 . 26647 1 270 . 1 1 52 52 GLY HA3 H 1 3.95 0.01 . 2 . . . . 70 GLY HA3 . 26647 1 271 . 1 1 52 52 GLY CA C 13 42.68 0.01 . 1 . . . . 70 GLY CA . 26647 1 272 . 1 1 52 52 GLY N N 15 106.73 0.01 . 1 . . . . 70 GLY N . 26647 1 273 . 1 1 53 53 THR H H 1 9.19 0.01 . 1 . . . . 71 THR H . 26647 1 274 . 1 1 53 53 THR HA H 1 5.02 0.01 . 1 . . . . 71 THR HA . 26647 1 275 . 1 1 53 53 THR HB H 1 3.77 0.01 . 1 . . . . 71 THR HB . 26647 1 276 . 1 1 53 53 THR HG21 H 1 1.16 0.01 . 1 . . . . 71 THR MG . 26647 1 277 . 1 1 53 53 THR HG22 H 1 1.16 0.01 . 1 . . . . 71 THR MG . 26647 1 278 . 1 1 53 53 THR HG23 H 1 1.16 0.01 . 1 . . . . 71 THR MG . 26647 1 279 . 1 1 53 53 THR CA C 13 58.67 0.01 . 1 . . . . 71 THR CA . 26647 1 280 . 1 1 53 53 THR CB C 13 70.47 0.01 . 1 . . . . 71 THR CB . 26647 1 281 . 1 1 53 53 THR N N 15 115.89 0.01 . 1 . . . . 71 THR N . 26647 1 282 . 1 1 54 54 VAL H H 1 9.08 0.01 . 1 . . . . 72 VAL H . 26647 1 283 . 1 1 54 54 VAL HA H 1 4.89 0.01 . 1 . . . . 72 VAL HA . 26647 1 284 . 1 1 54 54 VAL HB H 1 1.99 0.01 . 1 . . . . 72 VAL HB . 26647 1 285 . 1 1 54 54 VAL HG11 H 1 1.11 0.01 . 2 . . . . 72 VAL MG1 . 26647 1 286 . 1 1 54 54 VAL HG12 H 1 1.11 0.01 . 2 . . . . 72 VAL MG1 . 26647 1 287 . 1 1 54 54 VAL HG13 H 1 1.11 0.01 . 2 . . . . 72 VAL MG1 . 26647 1 288 . 1 1 54 54 VAL CA C 13 56.57 0.01 . 1 . . . . 72 VAL CA . 26647 1 289 . 1 1 54 54 VAL CB C 13 31.81 0.01 . 1 . . . . 72 VAL CB . 26647 1 290 . 1 1 54 54 VAL N N 15 122.10 0.01 . 1 . . . . 72 VAL N . 26647 1 291 . 1 1 55 55 ARG H H 1 8.77 0.01 . 1 . . . . 73 ARG H . 26647 1 292 . 1 1 55 55 ARG HA H 1 5.88 0.01 . 1 . . . . 73 ARG HA . 26647 1 293 . 1 1 55 55 ARG HB2 H 1 1.58 0.01 . 2 . . . . 73 ARG HB2 . 26647 1 294 . 1 1 55 55 ARG CA C 13 50.14 0.01 . 1 . . . . 73 ARG CA . 26647 1 295 . 1 1 55 55 ARG CB C 13 30.81 0.01 . 1 . . . . 73 ARG CB . 26647 1 296 . 1 1 55 55 ARG N N 15 127.64 0.01 . 1 . . . . 73 ARG N . 26647 1 297 . 1 1 56 56 ILE H H 1 9.46 0.01 . 1 . . . . 74 ILE H . 26647 1 298 . 1 1 56 56 ILE HA H 1 4.90 0.01 . 1 . . . . 74 ILE HA . 26647 1 299 . 1 1 56 56 ILE HB H 1 1.25 0.01 . 1 . . . . 74 ILE HB . 26647 1 300 . 1 1 56 56 ILE CA C 13 56.73 0.01 . 1 . . . . 74 ILE CA . 26647 1 301 . 1 1 56 56 ILE CB C 13 36.95 0.01 . 1 . . . . 74 ILE CB . 26647 1 302 . 1 1 56 56 ILE N N 15 126.90 0.01 . 1 . . . . 74 ILE N . 26647 1 303 . 1 1 57 57 SER H H 1 8.27 0.01 . 1 . . . . 75 SER H . 26647 1 304 . 1 1 57 57 SER HA H 1 5.01 0.01 . 1 . . . . 75 SER HA . 26647 1 305 . 1 1 57 57 SER CA C 13 53.22 0.01 . 1 . . . . 75 SER CA . 26647 1 306 . 1 1 57 57 SER CB C 13 63.14 0.01 . 1 . . . . 75 SER CB . 26647 1 307 . 1 1 57 57 SER N N 15 119.60 0.01 . 1 . . . . 75 SER N . 26647 1 308 . 1 1 58 58 LEU H H 1 8.86 0.01 . 1 . . . . 76 LEU H . 26647 1 309 . 1 1 58 58 LEU HA H 1 5.27 0.01 . 1 . . . . 76 LEU HA . 26647 1 310 . 1 1 58 58 LEU HB2 H 1 2.25 0.01 . 2 . . . . 76 LEU HB2 . 26647 1 311 . 1 1 58 58 LEU CA C 13 50.11 0.01 . 1 . . . . 76 LEU CA . 26647 1 312 . 1 1 58 58 LEU CB C 13 40.11 0.01 . 1 . . . . 76 LEU CB . 26647 1 313 . 1 1 58 58 LEU N N 15 119.05 0.01 . 1 . . . . 76 LEU N . 26647 1 314 . 1 1 59 59 VAL H H 1 8.66 0.01 . 1 . . . . 77 VAL H . 26647 1 315 . 1 1 59 59 VAL HA H 1 5.50 0.01 . 1 . . . . 77 VAL HA . 26647 1 316 . 1 1 59 59 VAL CA C 13 55.23 0.01 . 1 . . . . 77 VAL CA . 26647 1 317 . 1 1 59 59 VAL CB C 13 33.70 0.01 . 1 . . . . 77 VAL CB . 26647 1 318 . 1 1 59 59 VAL N N 15 115.00 0.01 . 1 . . . . 77 VAL N . 26647 1 319 . 1 1 60 60 THR H H 1 8.58 0.01 . 1 . . . . 78 THR H . 26647 1 320 . 1 1 60 60 THR CA C 13 58.99 0.01 . 1 . . . . 78 THR CA . 26647 1 321 . 1 1 60 60 THR CB C 13 67.38 0.01 . 1 . . . . 78 THR CB . 26647 1 322 . 1 1 60 60 THR N N 15 109.12 0.01 . 1 . . . . 78 THR N . 26647 1 323 . 1 1 61 61 LYS H H 1 9.36 0.01 . 1 . . . . 79 LYS H . 26647 1 324 . 1 1 61 61 LYS CA C 13 56.39 0.01 . 1 . . . . 79 LYS CA . 26647 1 325 . 1 1 61 61 LYS N N 15 120.75 0.01 . 1 . . . . 79 LYS N . 26647 1 326 . 1 1 62 62 ASP H H 1 8.36 0.01 . 1 . . . . 80 ASP H . 26647 1 327 . 1 1 62 62 ASP HA H 1 5.20 0.01 . 1 . . . . 80 ASP HA . 26647 1 328 . 1 1 62 62 ASP HB2 H 1 2.66 0.01 . 2 . . . . 80 ASP HB2 . 26647 1 329 . 1 1 62 62 ASP HB3 H 1 2.43 0.01 . 2 . . . . 80 ASP HB3 . 26647 1 330 . 1 1 62 62 ASP CA C 13 48.13 0.01 . 1 . . . . 80 ASP CA . 26647 1 331 . 1 1 62 62 ASP CB C 13 37.61 0.01 . 1 . . . . 80 ASP CB . 26647 1 332 . 1 1 62 62 ASP N N 15 117.85 0.01 . 1 . . . . 80 ASP N . 26647 1 333 . 1 1 63 63 PRO CA C 13 60.78 0.01 . 1 . . . . 81 PRO HA . 26647 1 334 . 1 1 65 65 HIS H H 1 8.58 0.01 . 1 . . . . 83 HIS H . 26647 1 335 . 1 1 65 65 HIS HA H 1 4.14 0.01 . 1 . . . . 83 HIS HA . 26647 1 336 . 1 1 65 65 HIS HB2 H 1 2.46 0.01 . 2 . . . . 83 HIS HB2 . 26647 1 337 . 1 1 65 65 HIS HB3 H 1 2.14 0.01 . 2 . . . . 83 HIS HB3 . 26647 1 338 . 1 1 65 65 HIS CA C 13 54.99 0.01 . 1 . . . . 83 HIS CA . 26647 1 339 . 1 1 65 65 HIS CB C 13 25.94 0.01 . 1 . . . . 83 HIS CB . 26647 1 340 . 1 1 65 65 HIS N N 15 121.52 0.01 . 1 . . . . 83 HIS N . 26647 1 341 . 1 1 66 66 ARG H H 1 7.88 0.01 . 1 . . . . 84 ARG H . 26647 1 342 . 1 1 66 66 ARG HA H 1 4.00 0.01 . 1 . . . . 84 ARG HA . 26647 1 343 . 1 1 66 66 ARG CA C 13 60.81 0.01 . 1 . . . . 84 ARG CA . 26647 1 344 . 1 1 66 66 ARG CB C 13 35.23 0.01 . 1 . . . . 84 ARG CB . 26647 1 345 . 1 1 66 66 ARG N N 15 118.89 0.01 . 1 . . . . 84 ARG N . 26647 1 346 . 1 1 67 67 PRO CA C 13 59.44 0.01 . 1 . . . . 85 PRO CA . 26647 1 347 . 1 1 68 68 HIS H H 1 8.22 0.01 . 1 . . . . 86 HIS H . 26647 1 348 . 1 1 68 68 HIS HA H 1 4.91 0.01 . 1 . . . . 86 HIS HA . 26647 1 349 . 1 1 68 68 HIS HB2 H 1 3.03 0.01 . 2 . . . . 86 HIS HB2 . 26647 1 350 . 1 1 68 68 HIS CA C 13 54.29 0.01 . 1 . . . . 86 HIS CA . 26647 1 351 . 1 1 68 68 HIS CB C 13 36.57 0.01 . 1 . . . . 86 HIS CB . 26647 1 352 . 1 1 68 68 HIS N N 15 114.29 0.01 . 1 . . . . 86 HIS N . 26647 1 353 . 1 1 69 69 PRO CA C 13 61.62 0.01 . 1 . . . . 87 PRO CA . 26647 1 354 . 1 1 70 70 HIS H H 1 10.22 0.01 . 1 . . . . 88 HIS H . 26647 1 355 . 1 1 70 70 HIS HA H 1 4.98 0.01 . 1 . . . . 88 HIS HA . 26647 1 356 . 1 1 70 70 HIS HB2 H 1 2.70 0.01 . 2 . . . . 88 HIS HB2 . 26647 1 357 . 1 1 70 70 HIS CA C 13 52.22 0.01 . 1 . . . . 88 HIS CA . 26647 1 358 . 1 1 70 70 HIS CB C 13 27.35 0.01 . 1 . . . . 88 HIS CB . 26647 1 359 . 1 1 70 70 HIS N N 15 121.03 0.01 . 1 . . . . 88 HIS N . 26647 1 360 . 1 1 71 71 GLU H H 1 8.36 0.01 . 1 . . . . 89 GLU H . 26647 1 361 . 1 1 71 71 GLU HA H 1 4.52 0.01 . 1 . . . . 89 GLU HA . 26647 1 362 . 1 1 71 71 GLU HB2 H 1 1.78 0.01 . 2 . . . . 89 GLU HB2 . 26647 1 363 . 1 1 71 71 GLU CA C 13 51.97 0.01 . 1 . . . . 89 GLU CA . 26647 1 364 . 1 1 71 71 GLU CB C 13 30.81 0.01 . 1 . . . . 89 GLU CB . 26647 1 365 . 1 1 71 71 GLU N N 15 114.51 0.01 . 1 . . . . 89 GLU N . 26647 1 366 . 1 1 72 72 LEU H H 1 7.60 0.01 . 1 . . . . 90 LEU H . 26647 1 367 . 1 1 72 72 LEU HA H 1 5.09 0.01 . 1 . . . . 90 LEU HA . 26647 1 368 . 1 1 72 72 LEU HB2 H 1 1.32 0.01 . 2 . . . . 90 LEU HB2 . 26647 1 369 . 1 1 72 72 LEU CA C 13 51.34 0.01 . 1 . . . . 90 LEU CA . 26647 1 370 . 1 1 72 72 LEU CB C 13 39.93 0.01 . 1 . . . . 90 LEU CB . 26647 1 371 . 1 1 72 72 LEU N N 15 122.04 0.01 . 1 . . . . 90 LEU N . 26647 1 372 . 1 1 73 73 VAL H H 1 8.24 0.01 . 1 . . . . 91 VAL H . 26647 1 373 . 1 1 73 73 VAL HA H 1 4.27 0.01 . 1 . . . . 91 VAL HA . 26647 1 374 . 1 1 73 73 VAL CA C 13 56.22 0.01 . 1 . . . . 91 VAL CA . 26647 1 375 . 1 1 73 73 VAL CB C 13 32.54 0.01 . 1 . . . . 91 VAL CB . 26647 1 376 . 1 1 73 73 VAL N N 15 114.75 0.01 . 1 . . . . 91 VAL N . 26647 1 377 . 1 1 74 74 GLY H H 1 7.97 0.01 . 1 . . . . 92 GLY H . 26647 1 378 . 1 1 74 74 GLY HA2 H 1 4.92 0.01 . 2 . . . . 92 GLY HA2 . 26647 1 379 . 1 1 74 74 GLY HA3 H 1 3.62 0.01 . 2 . . . . 92 GLY HA3 . 26647 1 380 . 1 1 74 74 GLY CA C 13 40.02 0.01 . 1 . . . . 92 GLY CA . 26647 1 381 . 1 1 74 74 GLY N N 15 107.03 0.01 . 1 . . . . 92 GLY N . 26647 1 382 . 1 1 75 75 LYS H H 1 8.07 0.01 . 1 . . . . 93 LYS H . 26647 1 383 . 1 1 75 75 LYS HA H 1 4.04 0.01 . 1 . . . . 93 LYS HA . 26647 1 384 . 1 1 75 75 LYS HB2 H 1 1.60 0.01 . 2 . . . . 93 LYS HB2 . 26647 1 385 . 1 1 75 75 LYS CA C 13 55.20 0.01 . 1 . . . . 93 LYS CA . 26647 1 386 . 1 1 75 75 LYS CB C 13 29.61 0.01 . 1 . . . . 93 LYS CB . 26647 1 387 . 1 1 75 75 LYS N N 15 121.85 0.01 . 1 . . . . 93 LYS N . 26647 1 388 . 1 1 76 76 ASP H H 1 8.27 0.01 . 1 . . . . 94 ASP H . 26647 1 389 . 1 1 76 76 ASP CA C 13 54.29 0.01 . 1 . . . . 94 ASP CA . 26647 1 390 . 1 1 76 76 ASP N N 15 120.94 0.01 . 1 . . . . 94 ASP N . 26647 1 391 . 1 1 77 77 CYS H H 1 7.60 0.01 . 1 . . . . 95 CYS H . 26647 1 392 . 1 1 77 77 CYS HA H 1 5.47 0.01 . 1 . . . . 95 CYS HA . 26647 1 393 . 1 1 77 77 CYS HB2 H 1 2.98 0.01 . 2 . . . . 95 CYS HB2 . 26647 1 394 . 1 1 77 77 CYS CA C 13 55.16 0.01 . 1 . . . . 95 CYS CA . 26647 1 395 . 1 1 77 77 CYS CB C 13 26.90 0.01 . 1 . . . . 95 CYS CB . 26647 1 396 . 1 1 77 77 CYS N N 15 113.34 0.01 . 1 . . . . 95 CYS N . 26647 1 397 . 1 1 78 78 ARG H H 1 8.89 0.01 . 1 . . . . 96 ARG H . 26647 1 398 . 1 1 78 78 ARG HA H 1 4.65 0.01 . 1 . . . . 96 ARG HA . 26647 1 399 . 1 1 78 78 ARG HB2 H 1 1.61 0.01 . 2 . . . . 96 ARG HB2 . 26647 1 400 . 1 1 78 78 ARG HG2 H 1 1.24 0.01 . 2 . . . . 96 ARG HG2 . 26647 1 401 . 1 1 78 78 ARG CA C 13 52.11 0.01 . 1 . . . . 96 ARG CA . 26647 1 402 . 1 1 78 78 ARG CB C 13 28.45 0.01 . 1 . . . . 96 ARG CB . 26647 1 403 . 1 1 78 78 ARG N N 15 123.41 0.01 . 1 . . . . 96 ARG N . 26647 1 404 . 1 1 79 79 ASP H H 1 8.69 0.01 . 1 . . . . 97 ASP H . 26647 1 405 . 1 1 79 79 ASP HA H 1 4.14 0.01 . 1 . . . . 97 ASP HA . 26647 1 406 . 1 1 79 79 ASP HB2 H 1 2.87 0.01 . 2 . . . . 97 ASP HB2 . 26647 1 407 . 1 1 79 79 ASP HB3 H 1 2.56 0.01 . 2 . . . . 97 ASP HB3 . 26647 1 408 . 1 1 79 79 ASP CA C 13 52.25 0.01 . 1 . . . . 97 ASP CA . 26647 1 409 . 1 1 79 79 ASP CB C 13 37.24 0.01 . 1 . . . . 97 ASP CB . 26647 1 410 . 1 1 79 79 ASP N N 15 116.61 0.01 . 1 . . . . 97 ASP N . 26647 1 411 . 1 1 80 80 GLY H H 1 8.43 0.01 . 1 . . . . 98 GLY H . 26647 1 412 . 1 1 80 80 GLY HA2 H 1 4.20 0.01 . 2 . . . . 98 GLY HA2 . 26647 1 413 . 1 1 80 80 GLY HA3 H 1 3.73 0.01 . 2 . . . . 98 GLY HA3 . 26647 1 414 . 1 1 80 80 GLY CA C 13 42.50 0.01 . 1 . . . . 98 GLY CA . 26647 1 415 . 1 1 80 80 GLY N N 15 102.82 0.01 . 1 . . . . 98 GLY N . 26647 1 416 . 1 1 81 81 TYR H H 1 8.02 0.01 . 1 . . . . 99 TYR H . 26647 1 417 . 1 1 81 81 TYR HA H 1 5.27 0.01 . 1 . . . . 99 TYR HA . 26647 1 418 . 1 1 81 81 TYR CA C 13 52.29 0.01 . 1 . . . . 99 TYR CA . 26647 1 419 . 1 1 81 81 TYR CB C 13 37.67 0.01 . 1 . . . . 99 TYR CB . 26647 1 420 . 1 1 81 81 TYR N N 15 120.53 0.01 . 1 . . . . 99 TYR N . 26647 1 421 . 1 1 82 82 TYR H H 1 8.79 0.01 . 1 . . . . 100 TYR H . 26647 1 422 . 1 1 82 82 TYR HA H 1 4.91 0.01 . 1 . . . . 100 TYR HA . 26647 1 423 . 1 1 82 82 TYR HB2 H 1 2.56 0.01 . 2 . . . . 100 TYR HB2 . 26647 1 424 . 1 1 82 82 TYR CA C 13 53.87 0.01 . 1 . . . . 100 TYR CA . 26647 1 425 . 1 1 82 82 TYR CB C 13 37.73 0.01 . 1 . . . . 100 TYR CB . 26647 1 426 . 1 1 82 82 TYR N N 15 121.13 0.01 . 1 . . . . 100 TYR N . 26647 1 427 . 1 1 83 83 GLU H H 1 7.87 0.01 . 1 . . . . 101 GLU H . 26647 1 428 . 1 1 83 83 GLU HA H 1 5.34 0.01 . 1 . . . . 101 GLU HA . 26647 1 429 . 1 1 83 83 GLU HB2 H 1 1.93 0.01 . 2 . . . . 101 GLU HB2 . 26647 1 430 . 1 1 83 83 GLU CA C 13 53.78 0.01 . 1 . . . . 101 GLU CA . 26647 1 431 . 1 1 83 83 GLU CB C 13 30.42 0.01 . 1 . . . . 101 GLU CB . 26647 1 432 . 1 1 83 83 GLU N N 15 128.08 0.01 . 1 . . . . 101 GLU N . 26647 1 433 . 1 1 84 84 ALA H H 1 8.48 0.01 . 1 . . . . 102 ALA H . 26647 1 434 . 1 1 84 84 ALA HA H 1 4.52 0.01 . 1 . . . . 102 ALA HA . 26647 1 435 . 1 1 84 84 ALA HB1 H 1 1.30 0.01 . 1 . . . . 102 ALA MB . 26647 1 436 . 1 1 84 84 ALA HB2 H 1 1.30 0.01 . 1 . . . . 102 ALA MB . 26647 1 437 . 1 1 84 84 ALA HB3 H 1 1.30 0.01 . 1 . . . . 102 ALA MB . 26647 1 438 . 1 1 84 84 ALA CA C 13 47.83 0.01 . 1 . . . . 102 ALA CA . 26647 1 439 . 1 1 84 84 ALA CB C 13 20.38 0.01 . 1 . . . . 102 ALA CB . 26647 1 440 . 1 1 84 84 ALA N N 15 126.83 0.01 . 1 . . . . 102 ALA N . 26647 1 441 . 1 1 85 85 ASP H H 1 8.27 0.01 . 1 . . . . 103 ASP H . 26647 1 442 . 1 1 85 85 ASP HA H 1 4.95 0.01 . 1 . . . . 103 ASP HA . 26647 1 443 . 1 1 85 85 ASP HB2 H 1 2.74 0.01 . 2 . . . . 103 ASP HB2 . 26647 1 444 . 1 1 85 85 ASP HB3 H 1 2.46 0.01 . 2 . . . . 103 ASP HB3 . 26647 1 445 . 1 1 85 85 ASP CA C 13 51.41 0.01 . 1 . . . . 103 ASP CA . 26647 1 446 . 1 1 85 85 ASP CB C 13 38.04 0.01 . 1 . . . . 103 ASP CB . 26647 1 447 . 1 1 85 85 ASP N N 15 118.35 0.01 . 1 . . . . 103 ASP N . 26647 1 448 . 1 1 86 86 LEU H H 1 8.28 0.01 . 1 . . . . 104 LEU H . 26647 1 449 . 1 1 86 86 LEU HA H 1 4.16 0.01 . 1 . . . . 104 LEU HA . 26647 1 450 . 1 1 86 86 LEU HB2 H 1 1.22 0.01 . 2 . . . . 104 LEU HB2 . 26647 1 451 . 1 1 86 86 LEU CA C 13 50.43 0.01 . 1 . . . . 104 LEU CA . 26647 1 452 . 1 1 86 86 LEU CB C 13 39.93 0.01 . 1 . . . . 104 LEU CB . 26647 1 453 . 1 1 86 86 LEU N N 15 122.07 0.01 . 1 . . . . 104 LEU N . 26647 1 454 . 1 1 88 88 PRO CA C 13 61.23 0.01 . 1 . . . . 106 PRO CA . 26647 1 455 . 1 1 89 89 ASP H H 1 7.82 0.01 . 1 . . . . 107 ASP H . 26647 1 456 . 1 1 89 89 ASP HA H 1 4.52 0.01 . 1 . . . . 107 ASP HA . 26647 1 457 . 1 1 89 89 ASP HB2 H 1 2.60 0.01 . 2 . . . . 107 ASP HB2 . 26647 1 458 . 1 1 89 89 ASP CA C 13 50.50 0.01 . 1 . . . . 107 ASP CA . 26647 1 459 . 1 1 89 89 ASP CB C 13 38.65 0.01 . 1 . . . . 107 ASP CB . 26647 1 460 . 1 1 89 89 ASP N N 15 116.08 0.01 . 1 . . . . 107 ASP N . 26647 1 461 . 1 1 90 90 ARG H H 1 7.33 0.01 . 1 . . . . 108 ARG H . 26647 1 462 . 1 1 90 90 ARG HA H 1 4.66 0.01 . 1 . . . . 108 ARG HA . 26647 1 463 . 1 1 90 90 ARG HB2 H 1 1.76 0.01 . 2 . . . . 108 ARG HB2 . 26647 1 464 . 1 1 90 90 ARG HB3 H 1 1.58 0.01 . 2 . . . . 108 ARG HB3 . 26647 1 465 . 1 1 90 90 ARG CA C 13 51.24 0.01 . 1 . . . . 108 ARG CA . 26647 1 466 . 1 1 90 90 ARG CB C 13 30.83 0.01 . 1 . . . . 108 ARG CB . 26647 1 467 . 1 1 90 90 ARG N N 15 116.21 0.01 . 1 . . . . 108 ARG N . 26647 1 468 . 1 1 91 91 SER H H 1 8.40 0.01 . 1 . . . . 109 SER H . 26647 1 469 . 1 1 91 91 SER CA C 13 55.23 0.01 . 1 . . . . 109 SER CA . 26647 1 470 . 1 1 91 91 SER N N 15 111.95 0.01 . 1 . . . . 109 SER N . 26647 1 471 . 1 1 92 92 ILE H H 1 6.47 0.01 . 1 . . . . 110 ILE H . 26647 1 472 . 1 1 92 92 ILE HA H 1 4.66 0.01 . 1 . . . . 110 ILE HA . 26647 1 473 . 1 1 92 92 ILE HB H 1 1.40 0.01 . 1 . . . . 110 ILE HB . 26647 1 474 . 1 1 92 92 ILE CA C 13 57.06 0.01 . 1 . . . . 110 ILE CA . 26647 1 475 . 1 1 92 92 ILE N N 15 121.21 0.01 . 1 . . . . 110 ILE N . 26647 1 476 . 1 1 93 93 HIS H H 1 8.60 0.01 . 1 . . . . 111 HIS H . 26647 1 477 . 1 1 93 93 HIS HA H 1 4.54 0.01 . 1 . . . . 111 HIS HA . 26647 1 478 . 1 1 93 93 HIS HB2 H 1 2.51 0.01 . 2 . . . . 111 HIS HB2 . 26647 1 479 . 1 1 93 93 HIS CA C 13 52.22 0.01 . 1 . . . . 111 HIS CA . 26647 1 480 . 1 1 93 93 HIS CB C 13 30.69 0.01 . 1 . . . . 111 HIS CB . 26647 1 481 . 1 1 93 93 HIS N N 15 125.28 0.01 . 1 . . . . 111 HIS N . 26647 1 482 . 1 1 94 94 SER H H 1 8.49 0.01 . 1 . . . . 112 SER H . 26647 1 483 . 1 1 94 94 SER HA H 1 5.05 0.01 . 1 . . . . 112 SER HA . 26647 1 484 . 1 1 94 94 SER HB2 H 1 3.54 0.01 . 2 . . . . 112 SER HB2 . 26647 1 485 . 1 1 94 94 SER HB3 H 1 3.41 0.01 . 2 . . . . 112 SER HB3 . 26647 1 486 . 1 1 94 94 SER CA C 13 53.34 0.01 . 1 . . . . 112 SER CA . 26647 1 487 . 1 1 94 94 SER CB C 13 63.38 0.01 . 1 . . . . 112 SER CB . 26647 1 488 . 1 1 94 94 SER N N 15 119.08 0.01 . 1 . . . . 112 SER N . 26647 1 489 . 1 1 95 95 PHE H H 1 7.72 0.01 . 1 . . . . 113 PHE H . 26647 1 490 . 1 1 95 95 PHE HA H 1 4.58 0.01 . 1 . . . . 113 PHE HA . 26647 1 491 . 1 1 95 95 PHE HB2 H 1 2.73 0.01 . 2 . . . . 113 PHE HB2 . 26647 1 492 . 1 1 95 95 PHE HB3 H 1 2.51 0.01 . 2 . . . . 113 PHE HB3 . 26647 1 493 . 1 1 95 95 PHE CA C 13 54.15 0.01 . 1 . . . . 113 PHE CA . 26647 1 494 . 1 1 95 95 PHE CB C 13 36.39 0.01 . 1 . . . . 113 PHE CB . 26647 1 495 . 1 1 95 95 PHE N N 15 120.93 0.01 . 1 . . . . 113 PHE N . 26647 1 496 . 1 1 96 96 GLN H H 1 8.28 0.01 . 1 . . . . 114 GLN H . 26647 1 497 . 1 1 96 96 GLN HA H 1 4.32 0.01 . 1 . . . . 114 GLN HA . 26647 1 498 . 1 1 96 96 GLN CA C 13 53.00 0.01 . 1 . . . . 114 GLN CA . 26647 1 499 . 1 1 96 96 GLN CB C 13 25.98 0.01 . 1 . . . . 114 GLN CB . 26647 1 500 . 1 1 96 96 GLN N N 15 120.93 0.01 . 1 . . . . 114 GLN N . 26647 1 501 . 1 1 97 97 ASN H H 1 8.87 0.01 . 1 . . . . 115 ASN H . 26647 1 502 . 1 1 97 97 ASN HA H 1 4.96 0.01 . 1 . . . . 115 ASN HA . 26647 1 503 . 1 1 97 97 ASN HB2 H 1 3.09 0.01 . 2 . . . . 115 ASN HB2 . 26647 1 504 . 1 1 97 97 ASN HB3 H 1 2.63 0.01 . 2 . . . . 115 ASN HB3 . 26647 1 505 . 1 1 97 97 ASN CA C 13 50.11 0.01 . 1 . . . . 115 ASN CA . 26647 1 506 . 1 1 97 97 ASN CB C 13 36.94 0.01 . 1 . . . . 115 ASN CB . 26647 1 507 . 1 1 97 97 ASN N N 15 117.99 0.01 . 1 . . . . 115 ASN N . 26647 1 508 . 1 1 98 98 LEU H H 1 8.31 0.01 . 1 . . . . 116 LEU H . 26647 1 509 . 1 1 98 98 LEU HA H 1 4.13 0.01 . 1 . . . . 116 LEU HA . 26647 1 510 . 1 1 98 98 LEU HB2 H 1 1.79 0.01 . 2 . . . . 116 LEU HB2 . 26647 1 511 . 1 1 98 98 LEU HB3 H 1 0.84 0.01 . 2 . . . . 116 LEU HB3 . 26647 1 512 . 1 1 98 98 LEU CA C 13 51.55 0.01 . 1 . . . . 116 LEU CA . 26647 1 513 . 1 1 98 98 LEU CB C 13 40.23 0.01 . 1 . . . . 116 LEU CB . 26647 1 514 . 1 1 98 98 LEU N N 15 120.98 0.01 . 1 . . . . 116 LEU N . 26647 1 515 . 1 1 99 99 GLY H H 1 8.47 0.01 . 1 . . . . 117 GLY H . 26647 1 516 . 1 1 99 99 GLY HA2 H 1 4.51 0.01 . 2 . . . . 117 GLY HA2 . 26647 1 517 . 1 1 99 99 GLY HA3 H 1 3.39 0.01 . 2 . . . . 117 GLY HA3 . 26647 1 518 . 1 1 99 99 GLY CA C 13 40.22 0.01 . 1 . . . . 117 GLY CA . 26647 1 519 . 1 1 99 99 GLY N N 15 110.10 0.01 . 1 . . . . 117 GLY N . 26647 1 520 . 1 1 100 100 ILE H H 1 7.68 0.01 . 1 . . . . 118 ILE H . 26647 1 521 . 1 1 100 100 ILE HA H 1 4.55 0.01 . 1 . . . . 118 ILE HA . 26647 1 522 . 1 1 100 100 ILE HB H 1 1.03 0.01 . 1 . . . . 118 ILE HB . 26647 1 523 . 1 1 100 100 ILE CA C 13 57.30 0.01 . 1 . . . . 118 ILE CA . 26647 1 524 . 1 1 100 100 ILE CB C 13 36.94 0.01 . 1 . . . . 118 ILE CB . 26647 1 525 . 1 1 100 100 ILE N N 15 117.96 0.01 . 1 . . . . 118 ILE N . 26647 1 526 . 1 1 101 101 GLN H H 1 9.29 0.01 . 1 . . . . 119 GLN H . 26647 1 527 . 1 1 101 101 GLN HA H 1 5.13 0.01 . 1 . . . . 119 GLN HA . 26647 1 528 . 1 1 101 101 GLN HB2 H 1 1.98 0.01 . 2 . . . . 119 GLN HB2 . 26647 1 529 . 1 1 101 101 GLN HB3 H 1 1.82 0.01 . 2 . . . . 119 GLN HB3 . 26647 1 530 . 1 1 101 101 GLN CA C 13 50.01 0.01 . 1 . . . . 119 GLN CA . 26647 1 531 . 1 1 101 101 GLN CB C 13 30.42 0.01 . 1 . . . . 119 GLN CB . 26647 1 532 . 1 1 101 101 GLN N N 15 129.34 0.01 . 1 . . . . 119 GLN N . 26647 1 533 . 1 1 102 102 CYS H H 1 8.32 0.01 . 1 . . . . 120 CYS H . 26647 1 534 . 1 1 102 102 CYS HA H 1 3.84 0.01 . 1 . . . . 120 CYS HA . 26647 1 535 . 1 1 102 102 CYS HB2 H 1 2.10 0.01 . 2 . . . . 120 CYS HB2 . 26647 1 536 . 1 1 102 102 CYS CA C 13 52.50 0.01 . 1 . . . . 120 CYS CA . 26647 1 537 . 1 1 102 102 CYS CB C 13 25.70 0.01 . 1 . . . . 120 CYS CB . 26647 1 538 . 1 1 102 102 CYS N N 15 123.37 0.01 . 1 . . . . 120 CYS N . 26647 1 539 . 1 1 103 103 VAL H H 1 8.86 0.01 . 1 . . . . 121 VAL H . 26647 1 540 . 1 1 103 103 VAL HA H 1 4.42 0.01 . 1 . . . . 121 VAL HA . 26647 1 541 . 1 1 103 103 VAL HG11 H 1 0.96 0.01 . 2 . . . . 121 VAL MG1 . 26647 1 542 . 1 1 103 103 VAL HG12 H 1 0.96 0.01 . 2 . . . . 121 VAL MG1 . 26647 1 543 . 1 1 103 103 VAL HG13 H 1 0.96 0.01 . 2 . . . . 121 VAL MG1 . 26647 1 544 . 1 1 103 103 VAL CA C 13 58.01 0.01 . 1 . . . . 121 VAL CA . 26647 1 545 . 1 1 103 103 VAL CB C 13 30.22 0.01 . 1 . . . . 121 VAL CB . 26647 1 546 . 1 1 103 103 VAL N N 15 121.81 0.01 . 1 . . . . 121 VAL N . 26647 1 547 . 1 1 104 104 LYS H H 1 8.61 0.01 . 1 . . . . 122 LYS H . 26647 1 548 . 1 1 104 104 LYS HA H 1 4.43 0.01 . 1 . . . . 122 LYS HA . 26647 1 549 . 1 1 104 104 LYS HB2 H 1 1.90 0.01 . 2 . . . . 122 LYS HB2 . 26647 1 550 . 1 1 104 104 LYS HB3 H 1 1.72 0.01 . 2 . . . . 122 LYS HB3 . 26647 1 551 . 1 1 104 104 LYS CA C 13 52.99 0.01 . 1 . . . . 122 LYS CA . 26647 1 552 . 1 1 104 104 LYS CB C 13 30.40 0.01 . 1 . . . . 122 LYS CB . 26647 1 553 . 1 1 104 104 LYS N N 15 123.09 0.01 . 1 . . . . 122 LYS N . 26647 1 554 . 1 1 105 105 LYS H H 1 8.65 0.01 . 1 . . . . 123 LYS H . 26647 1 555 . 1 1 105 105 LYS HA H 1 3.89 0.01 . 1 . . . . 123 LYS HA . 26647 1 556 . 1 1 105 105 LYS HB2 H 1 1.69 0.01 . 2 . . . . 123 LYS HB2 . 26647 1 557 . 1 1 105 105 LYS CA C 13 53.01 0.01 . 1 . . . . 123 LYS CA . 26647 1 558 . 1 1 105 105 LYS CB C 13 30.24 0.01 . 1 . . . . 123 LYS CB . 26647 1 559 . 1 1 105 105 LYS N N 15 123.34 0.01 . 1 . . . . 123 LYS N . 26647 1 560 . 1 1 106 106 ARG CA C 13 54.67 0.01 . 1 . . . . 124 ARG CA . 26647 1 561 . 1 1 107 107 ASP H H 1 7.79 0.01 . 1 . . . . 125 ASP H . 26647 1 562 . 1 1 107 107 ASP HA H 1 4.92 0.01 . 1 . . . . 125 ASP HA . 26647 1 563 . 1 1 107 107 ASP HB2 H 1 2.98 0.01 . 2 . . . . 125 ASP HB2 . 26647 1 564 . 1 1 107 107 ASP HB3 H 1 2.60 0.01 . 2 . . . . 125 ASP HB3 . 26647 1 565 . 1 1 107 107 ASP CA C 13 51.23 0.01 . 1 . . . . 125 ASP CA . 26647 1 566 . 1 1 107 107 ASP CB C 13 38.83 0.01 . 1 . . . . 125 ASP CB . 26647 1 567 . 1 1 107 107 ASP N N 15 118.84 0.01 . 1 . . . . 125 ASP N . 26647 1 568 . 1 1 108 108 LEU H H 1 7.56 0.01 . 1 . . . . 126 LEU H . 26647 1 569 . 1 1 108 108 LEU HA H 1 3.81 0.01 . 1 . . . . 126 LEU HA . 26647 1 570 . 1 1 108 108 LEU CA C 13 55.67 0.01 . 1 . . . . 126 LEU CA . 26647 1 571 . 1 1 108 108 LEU CB C 13 39.75 0.01 . 1 . . . . 126 LEU CB . 26647 1 572 . 1 1 108 108 LEU N N 15 121.96 0.01 . 1 . . . . 126 LEU N . 26647 1 573 . 1 1 109 109 GLU H H 1 8.59 0.01 . 1 . . . . 127 GLU H . 26647 1 574 . 1 1 109 109 GLU HA H 1 3.93 0.01 . 1 . . . . 127 GLU HA . 26647 1 575 . 1 1 109 109 GLU HB2 H 1 2.27 0.01 . 2 . . . . 127 GLU HB2 . 26647 1 576 . 1 1 109 109 GLU HB3 H 1 2.01 0.01 . 2 . . . . 127 GLU HB3 . 26647 1 577 . 1 1 109 109 GLU CA C 13 56.57 0.01 . 1 . . . . 127 GLU CA . 26647 1 578 . 1 1 109 109 GLU CB C 13 25.90 0.01 . 1 . . . . 127 GLU CB . 26647 1 579 . 1 1 109 109 GLU N N 15 117.86 0.01 . 1 . . . . 127 GLU N . 26647 1 580 . 1 1 110 110 GLN H H 1 8.04 0.01 . 1 . . . . 128 GLN H . 26647 1 581 . 1 1 110 110 GLN HA H 1 4.12 0.01 . 1 . . . . 128 GLN HA . 26647 1 582 . 1 1 110 110 GLN HB2 H 1 2.37 0.01 . 2 . . . . 128 GLN HB2 . 26647 1 583 . 1 1 110 110 GLN HB3 H 1 2.08 0.01 . 2 . . . . 128 GLN HB3 . 26647 1 584 . 1 1 110 110 GLN CA C 13 55.06 0.01 . 1 . . . . 128 GLN CA . 26647 1 585 . 1 1 110 110 GLN CB C 13 25.33 0.01 . 1 . . . . 128 GLN CB . 26647 1 586 . 1 1 110 110 GLN N N 15 119.71 0.01 . 1 . . . . 128 GLN N . 26647 1 587 . 1 1 111 111 ALA H H 1 7.95 0.01 . 1 . . . . 129 ALA H . 26647 1 588 . 1 1 111 111 ALA HA H 1 4.16 0.01 . 1 . . . . 129 ALA HA . 26647 1 589 . 1 1 111 111 ALA HB1 H 1 1.52 0.01 . 1 . . . . 129 ALA MB . 26647 1 590 . 1 1 111 111 ALA HB2 H 1 1.52 0.01 . 1 . . . . 129 ALA MB . 26647 1 591 . 1 1 111 111 ALA HB3 H 1 1.52 0.01 . 1 . . . . 129 ALA MB . 26647 1 592 . 1 1 111 111 ALA CA C 13 51.73 0.01 . 1 . . . . 129 ALA CA . 26647 1 593 . 1 1 111 111 ALA CB C 13 15.80 0.01 . 1 . . . . 129 ALA CB . 26647 1 594 . 1 1 111 111 ALA N N 15 124.05 0.01 . 1 . . . . 129 ALA N . 26647 1 595 . 1 1 112 112 ILE H H 1 8.23 0.01 . 1 . . . . 130 ILE H . 26647 1 596 . 1 1 112 112 ILE HA H 1 3.60 0.01 . 1 . . . . 130 ILE HA . 26647 1 597 . 1 1 112 112 ILE HB H 1 1.88 0.01 . 1 . . . . 130 ILE HB . 26647 1 598 . 1 1 112 112 ILE CA C 13 60.54 0.01 . 1 . . . . 130 ILE CA . 26647 1 599 . 1 1 112 112 ILE CB C 13 34.13 0.01 . 1 . . . . 130 ILE CB . 26647 1 600 . 1 1 112 112 ILE N N 15 117.77 0.01 . 1 . . . . 130 ILE N . 26647 1 601 . 1 1 113 113 SER H H 1 8.00 0.01 . 1 . . . . 131 SER H . 26647 1 602 . 1 1 113 113 SER HA H 1 4.87 0.01 . 1 . . . . 131 SER HA . 26647 1 603 . 1 1 113 113 SER HB2 H 1 3.81 0.01 . 2 . . . . 131 SER HB2 . 26647 1 604 . 1 1 113 113 SER CA C 13 58.38 0.01 . 1 . . . . 131 SER CA . 26647 1 605 . 1 1 113 113 SER CB C 13 62.47 0.01 . 1 . . . . 131 SER CB . 26647 1 606 . 1 1 113 113 SER N N 15 115.25 0.01 . 1 . . . . 131 SER N . 26647 1 607 . 1 1 114 114 GLN H H 1 8.01 0.01 . 1 . . . . 132 GLN H . 26647 1 608 . 1 1 114 114 GLN HA H 1 4.19 0.01 . 1 . . . . 132 GLN HA . 26647 1 609 . 1 1 114 114 GLN HB2 H 1 2.23 0.01 . 2 . . . . 132 GLN HB2 . 26647 1 610 . 1 1 114 114 GLN CA C 13 55.44 0.01 . 1 . . . . 132 GLN CA . 26647 1 611 . 1 1 114 114 GLN CB C 13 25.51 0.01 . 1 . . . . 132 GLN CB . 26647 1 612 . 1 1 114 114 GLN N N 15 121.35 0.01 . 1 . . . . 132 GLN N . 26647 1 613 . 1 1 115 115 ARG H H 1 8.27 0.01 . 1 . . . . 133 ARG H . 26647 1 614 . 1 1 115 115 ARG HA H 1 4.18 0.01 . 1 . . . . 133 ARG HA . 26647 1 615 . 1 1 115 115 ARG HB2 H 1 2.21 0.01 . 2 . . . . 133 ARG HB2 . 26647 1 616 . 1 1 115 115 ARG HB3 H 1 1.92 0.01 . 2 . . . . 133 ARG HB3 . 26647 1 617 . 1 1 115 115 ARG CA C 13 54.62 0.01 . 1 . . . . 133 ARG CA . 26647 1 618 . 1 1 115 115 ARG N N 15 120.93 0.01 . 1 . . . . 133 ARG N . 26647 1 619 . 1 1 116 116 ILE H H 1 8.81 0.01 . 1 . . . . 134 ILE H . 26647 1 620 . 1 1 116 116 ILE HA H 1 4.50 0.01 . 1 . . . . 134 ILE HA . 26647 1 621 . 1 1 116 116 ILE HB H 1 2.02 0.01 . 1 . . . . 134 ILE HB . 26647 1 622 . 1 1 116 116 ILE CA C 13 58.56 0.01 . 1 . . . . 134 ILE CA . 26647 1 623 . 1 1 116 116 ILE CB C 13 36.63 0.01 . 1 . . . . 134 ILE CB . 26647 1 624 . 1 1 116 116 ILE N N 15 122.75 0.01 . 1 . . . . 134 ILE N . 26647 1 625 . 1 1 117 117 GLN H H 1 8.00 0.01 . 1 . . . . 135 GLN H . 26647 1 626 . 1 1 117 117 GLN HA H 1 4.38 0.01 . 1 . . . . 135 GLN HA . 26647 1 627 . 1 1 117 117 GLN HG2 H 1 2.99 0.01 . 2 . . . . 135 GLN HB2 . 26647 1 628 . 1 1 117 117 GLN HB3 H 1 2.69 0.01 . 2 . . . . 135 GLN HB3 . 26647 1 629 . 1 1 117 117 GLN CA C 13 50.85 0.01 . 1 . . . . 135 GLN CA . 26647 1 630 . 1 1 117 117 GLN CB C 13 34.37 0.01 . 1 . . . . 135 GLN CB . 26647 1 631 . 1 1 117 117 GLN N N 15 118.10 0.01 . 1 . . . . 135 GLN N . 26647 1 632 . 1 1 118 118 THR H H 1 7.62 0.01 . 1 . . . . 136 THR H . 26647 1 633 . 1 1 118 118 THR HA H 1 4.22 0.01 . 1 . . . . 136 THR HA . 26647 1 634 . 1 1 118 118 THR HB H 1 4.04 0.01 . 1 . . . . 136 THR HB . 26647 1 635 . 1 1 118 118 THR HG21 H 1 1.07 0.01 . 1 . . . . 136 THR MG . 26647 1 636 . 1 1 118 118 THR HG22 H 1 1.07 0.01 . 1 . . . . 136 THR MG . 26647 1 637 . 1 1 118 118 THR HG23 H 1 1.07 0.01 . 1 . . . . 136 THR MG . 26647 1 638 . 1 1 118 118 THR CA C 13 60.14 0.01 . 1 . . . . 136 THR CA . 26647 1 639 . 1 1 118 118 THR CB C 13 67.46 0.01 . 1 . . . . 136 THR CB . 26647 1 640 . 1 1 118 118 THR N N 15 118.52 0.01 . 1 . . . . 136 THR N . 26647 1 641 . 1 1 119 119 ASN H H 1 8.30 0.01 . 1 . . . . 137 ASN H . 26647 1 642 . 1 1 119 119 ASN HA H 1 4.18 0.01 . 1 . . . . 137 ASN HA . 26647 1 643 . 1 1 119 119 ASN CA C 13 53.55 0.01 . 1 . . . . 137 ASN CA . 26647 1 644 . 1 1 119 119 ASN N N 15 126.11 0.01 . 1 . . . . 137 ASN N . 26647 1 645 . 1 1 120 120 ASN CA C 13 55.22 0.01 . 1 . . . . 138 ASN CA . 26647 1 646 . 1 1 121 121 ASN H H 1 8.84 0.01 . 1 . . . . 139 ASN H . 26647 1 647 . 1 1 121 121 ASN HA H 1 4.22 0.01 . 1 . . . . 139 ASN HA . 26647 1 648 . 1 1 121 121 ASN HB2 H 1 2.82 0.01 . 2 . . . . 139 ASN HB2 . 26647 1 649 . 1 1 121 121 ASN CA C 13 54.26 0.01 . 1 . . . . 139 ASN CA . 26647 1 650 . 1 1 121 121 ASN N N 15 117.99 0.01 . 1 . . . . 139 ASN N . 26647 1 651 . 1 1 122 122 PRO CA C 13 61.74 0.01 . 1 . . . . 140 PRO CA . 26647 1 652 . 1 1 123 123 PHE H H 1 8.85 0.01 . 1 . . . . 141 PHE H . 26647 1 653 . 1 1 123 123 PHE HA H 1 4.38 0.01 . 1 . . . . 141 PHE HA . 26647 1 654 . 1 1 123 123 PHE HB2 H 1 2.24 0.01 . 2 . . . . 141 PHE HB2 . 26647 1 655 . 1 1 123 123 PHE CA C 13 54.74 0.01 . 1 . . . . 141 PHE CA . 26647 1 656 . 1 1 123 123 PHE N N 15 113.98 0.01 . 1 . . . . 141 PHE N . 26647 1 657 . 1 1 124 124 HIS H H 1 7.88 0.01 . 1 . . . . 142 HIS H . 26647 1 658 . 1 1 124 124 HIS HA H 1 3.97 0.01 . 1 . . . . 142 HIS HA . 26647 1 659 . 1 1 124 124 HIS HB2 H 1 3.21 0.01 . 2 . . . . 142 HIS HB2 . 26647 1 660 . 1 1 124 124 HIS HB3 H 1 3.11 0.01 . 2 . . . . 142 HIS HB3 . 26647 1 661 . 1 1 124 124 HIS CA C 13 53.02 0.01 . 1 . . . . 142 HIS CA . 26647 1 662 . 1 1 124 124 HIS CB C 13 23.68 0.01 . 1 . . . . 142 HIS CB . 26647 1 663 . 1 1 124 124 HIS N N 15 117.77 0.01 . 1 . . . . 142 HIS N . 26647 1 664 . 1 1 125 125 VAL H H 1 7.96 0.01 . 1 . . . . 143 VAL H . 26647 1 665 . 1 1 125 125 VAL HA H 1 4.23 0.01 . 1 . . . . 143 VAL HA . 26647 1 666 . 1 1 125 125 VAL HB H 1 1.94 0.01 . 1 . . . . 143 VAL HB . 26647 1 667 . 1 1 125 125 VAL HG11 H 1 0.94 0.01 . 2 . . . . 143 VAL MG1 . 26647 1 668 . 1 1 125 125 VAL HG12 H 1 0.94 0.01 . 2 . . . . 143 VAL MG1 . 26647 1 669 . 1 1 125 125 VAL HG13 H 1 0.94 0.01 . 2 . . . . 143 VAL MG1 . 26647 1 670 . 1 1 125 125 VAL CA C 13 57.69 0.01 . 1 . . . . 143 VAL CA . 26647 1 671 . 1 1 125 125 VAL CB C 13 29.42 0.01 . 1 . . . . 143 VAL CB . 26647 1 672 . 1 1 125 125 VAL N N 15 120.46 0.01 . 1 . . . . 143 VAL N . 26647 1 673 . 1 1 126 126 PRO CA C 13 60.19 0.01 . 1 . . . . 144 PRO CA . 26647 1 674 . 1 1 127 127 ILE H H 1 8.51 0.01 . 1 . . . . 145 ILE H . 26647 1 675 . 1 1 127 127 ILE HA H 1 3.83 0.01 . 1 . . . . 145 ILE HA . 26647 1 676 . 1 1 127 127 ILE HB H 1 1.84 0.01 . 1 . . . . 145 ILE HB . 26647 1 677 . 1 1 127 127 ILE CA C 13 60.43 0.01 . 1 . . . . 145 ILE CA . 26647 1 678 . 1 1 127 127 ILE CB C 13 35.04 0.01 . 1 . . . . 145 ILE CB . 26647 1 679 . 1 1 127 127 ILE N N 15 123.41 0.01 . 1 . . . . 145 ILE N . 26647 1 680 . 1 1 128 128 GLU H H 1 9.11 0.01 . 1 . . . . 146 GLU H . 26647 1 681 . 1 1 128 128 GLU HA H 1 4.07 0.01 . 1 . . . . 146 GLU HA . 26647 1 682 . 1 1 128 128 GLU HB2 H 1 1.97 0.01 . 2 . . . . 146 GLU HB2 . 26647 1 683 . 1 1 128 128 GLU CA C 13 55.30 0.01 . 1 . . . . 146 GLU CA . 26647 1 684 . 1 1 128 128 GLU CB C 13 25.94 0.01 . 1 . . . . 146 GLU CB . 26647 1 685 . 1 1 128 128 GLU N N 15 121.15 0.01 . 1 . . . . 146 GLU N . 26647 1 686 . 1 1 129 129 GLU H H 1 7.75 0.01 . 1 . . . . 147 GLU H . 26647 1 687 . 1 1 129 129 GLU HA H 1 4.27 0.01 . 1 . . . . 147 GLU HA . 26647 1 688 . 1 1 129 129 GLU HB2 H 1 2.15 0.01 . 2 . . . . 147 GLU HB2 . 26647 1 689 . 1 1 129 129 GLU HB3 H 1 1.78 0.01 . 2 . . . . 147 GLU HB3 . 26647 1 690 . 1 1 129 129 GLU CA C 13 53.41 0.01 . 1 . . . . 147 GLU CA . 26647 1 691 . 1 1 129 129 GLU CB C 13 26.92 0.01 . 1 . . . . 147 GLU CB . 26647 1 692 . 1 1 129 129 GLU N N 15 117.59 0.01 . 1 . . . . 147 GLU N . 26647 1 693 . 1 1 130 130 GLN H H 1 7.81 0.01 . 1 . . . . 148 GLN H . 26647 1 694 . 1 1 130 130 GLN HA H 1 4.26 0.01 . 1 . . . . 148 GLN HA . 26647 1 695 . 1 1 130 130 GLN HB2 H 1 2.15 0.01 . 2 . . . . 148 GLN HB2 . 26647 1 696 . 1 1 130 130 GLN HG2 H 1 2.36 0.01 . 2 . . . . 148 GLN HG2 . 26647 1 697 . 1 1 130 130 GLN CA C 13 53.13 0.01 . 1 . . . . 148 GLN CA . 26647 1 698 . 1 1 130 130 GLN CB C 13 25.09 0.01 . 1 . . . . 148 GLN CB . 26647 1 699 . 1 1 130 130 GLN N N 15 120.61 0.01 . 1 . . . . 148 GLN N . 26647 1 700 . 1 1 131 131 ARG H H 1 7.70 0.01 . 1 . . . . 149 ARG H . 26647 1 701 . 1 1 131 131 ARG HA H 1 4.40 0.01 . 1 . . . . 149 ARG HA . 26647 1 702 . 1 1 131 131 ARG CA C 13 52.80 0.01 . 1 . . . . 149 ARG CA . 26647 1 703 . 1 1 131 131 ARG CB C 13 27.96 0.01 . 1 . . . . 149 ARG CB . 26647 1 704 . 1 1 131 131 ARG N N 15 118.69 0.01 . 1 . . . . 149 ARG N . 26647 1 705 . 1 1 132 132 GLY H H 1 8.21 0.01 . 1 . . . . 150 GLY H . 26647 1 706 . 1 1 132 132 GLY HA2 H 1 3.85 0.01 . 2 . . . . 150 GLY HA2 . 26647 1 707 . 1 1 132 132 GLY CA C 13 41.49 0.01 . 1 . . . . 150 GLY CA . 26647 1 708 . 1 1 132 132 GLY N N 15 108.89 0.01 . 1 . . . . 150 GLY N . 26647 1 709 . 1 1 133 133 ASP H H 1 8.25 0.01 . 1 . . . . 151 ASP H . 26647 1 710 . 1 1 133 133 ASP HA H 1 4.59 0.01 . 1 . . . . 151 ASP HA . 26647 1 711 . 1 1 133 133 ASP HB2 H 1 2.56 0.01 . 2 . . . . 151 ASP HB2 . 26647 1 712 . 1 1 133 133 ASP HB3 H 1 2.47 0.01 . 2 . . . . 151 ASP HB3 . 26647 1 713 . 1 1 133 133 ASP CA C 13 51.31 0.01 . 1 . . . . 151 ASP CA . 26647 1 714 . 1 1 133 133 ASP CB C 13 38.40 0.01 . 1 . . . . 151 ASP CB . 26647 1 715 . 1 1 133 133 ASP N N 15 120.15 0.01 . 1 . . . . 151 ASP N . 26647 1 716 . 1 1 134 134 TYR H H 1 8.37 0.01 . 1 . . . . 152 TYR H . 26647 1 717 . 1 1 134 134 TYR HA H 1 4.39 0.01 . 1 . . . . 152 TYR HA . 26647 1 718 . 1 1 134 134 TYR HB2 H 1 2.51 0.01 . 2 . . . . 152 TYR HB2 . 26647 1 719 . 1 1 134 134 TYR HB3 H 1 2.25 0.01 . 2 . . . . 152 TYR HB3 . 26647 1 720 . 1 1 134 134 TYR CA C 13 55.06 0.01 . 1 . . . . 152 TYR CA . 26647 1 721 . 1 1 134 134 TYR CB C 13 38.28 0.01 . 1 . . . . 152 TYR CB . 26647 1 722 . 1 1 134 134 TYR N N 15 120.36 0.01 . 1 . . . . 152 TYR N . 26647 1 723 . 1 1 135 135 ASP H H 1 8.97 0.01 . 1 . . . . 153 ASP H . 26647 1 724 . 1 1 135 135 ASP CA C 13 50.67 0.01 . 1 . . . . 153 ASP CA . 26647 1 725 . 1 1 135 135 ASP CB C 13 37.30 0.01 . 1 . . . . 153 ASP CB . 26647 1 726 . 1 1 135 135 ASP N N 15 121.14 0.01 . 1 . . . . 153 ASP N . 26647 1 727 . 1 1 136 136 LEU H H 1 9.09 0.01 . 1 . . . . 154 LEU H . 26647 1 728 . 1 1 136 136 LEU HA H 1 4.23 0.01 . 1 . . . . 154 LEU HA . 26647 1 729 . 1 1 136 136 LEU CA C 13 52.18 0.01 . 1 . . . . 154 LEU CA . 26647 1 730 . 1 1 136 136 LEU CB C 13 37.24 0.01 . 1 . . . . 154 LEU CB . 26647 1 731 . 1 1 136 136 LEU N N 15 124.89 0.01 . 1 . . . . 154 LEU N . 26647 1 732 . 1 1 137 137 ASN H H 1 9.06 0.01 . 1 . . . . 155 ASN H . 26647 1 733 . 1 1 137 137 ASN HA H 1 4.91 0.01 . 1 . . . . 155 ASN HA . 26647 1 734 . 1 1 137 137 ASN HB2 H 1 3.16 0.01 . 2 . . . . 155 ASN HB2 . 26647 1 735 . 1 1 137 137 ASN HB3 H 1 3.05 0.01 . 2 . . . . 155 ASN HB3 . 26647 1 736 . 1 1 137 137 ASN CA C 13 51.03 0.01 . 1 . . . . 155 ASN CA . 26647 1 737 . 1 1 137 137 ASN CB C 13 37.12 0.01 . 1 . . . . 155 ASN CB . 26647 1 738 . 1 1 137 137 ASN N N 15 117.78 0.01 . 1 . . . . 155 ASN N . 26647 1 739 . 1 1 138 138 ALA H H 1 7.15 0.01 . 1 . . . . 156 ALA H . 26647 1 740 . 1 1 138 138 ALA HA H 1 5.65 0.01 . 1 . . . . 156 ALA HA . 26647 1 741 . 1 1 138 138 ALA HB1 H 1 1.06 0.01 . 1 . . . . 156 ALA MB . 26647 1 742 . 1 1 138 138 ALA HB2 H 1 1.06 0.01 . 1 . . . . 156 ALA MB . 26647 1 743 . 1 1 138 138 ALA HB3 H 1 1.06 0.01 . 1 . . . . 156 ALA MB . 26647 1 744 . 1 1 138 138 ALA CA C 13 47.87 0.01 . 1 . . . . 156 ALA CA . 26647 1 745 . 1 1 138 138 ALA CB C 13 21.18 0.01 . 1 . . . . 156 ALA CB . 26647 1 746 . 1 1 138 138 ALA N N 15 119.42 0.01 . 1 . . . . 156 ALA N . 26647 1 747 . 1 1 139 139 VAL H H 1 8.36 0.01 . 1 . . . . 157 VAL H . 26647 1 748 . 1 1 139 139 VAL HA H 1 4.59 0.01 . 1 . . . . 157 VAL HA . 26647 1 749 . 1 1 139 139 VAL CA C 13 55.34 0.01 . 1 . . . . 157 VAL CA . 26647 1 750 . 1 1 139 139 VAL CB C 13 33.55 0.01 . 1 . . . . 157 VAL CB . 26647 1 751 . 1 1 139 139 VAL N N 15 110.38 0.01 . 1 . . . . 157 VAL N . 26647 1 752 . 1 1 140 140 ARG H H 1 8.27 0.01 . 1 . . . . 158 ARG H . 26647 1 753 . 1 1 140 140 ARG HA H 1 4.27 0.01 . 1 . . . . 158 ARG HA . 26647 1 754 . 1 1 140 140 ARG HB2 H 1 1.00 0.01 . 2 . . . . 158 ARG HB2 . 26647 1 755 . 1 1 140 140 ARG CA C 13 52.22 0.01 . 1 . . . . 158 ARG CA . 26647 1 756 . 1 1 140 140 ARG CB C 13 30.77 0.01 . 1 . . . . 158 ARG CB . 26647 1 757 . 1 1 140 140 ARG N N 15 115.33 0.01 . 1 . . . . 158 ARG N . 26647 1 758 . 1 1 141 141 LEU H H 1 8.13 0.01 . 1 . . . . 159 LEU H . 26647 1 759 . 1 1 141 141 LEU HA H 1 4.54 0.01 . 1 . . . . 159 LEU HA . 26647 1 760 . 1 1 141 141 LEU HB3 H 1 2.40 0.01 . 2 . . . . 159 LEU HB3 . 26647 1 761 . 1 1 141 141 LEU CA C 13 50.94 0.01 . 1 . . . . 159 LEU CA . 26647 1 762 . 1 1 141 141 LEU N N 15 117.34 0.01 . 1 . . . . 159 LEU N . 26647 1 763 . 1 1 142 142 CYS H H 1 8.93 0.01 . 1 . . . . 160 CYS H . 26647 1 764 . 1 1 142 142 CYS HA H 1 5.05 0.01 . 1 . . . . 160 CYS HA . 26647 1 765 . 1 1 142 142 CYS HB2 H 1 2.64 0.01 . 2 . . . . 160 CYS HB2 . 26647 1 766 . 1 1 142 142 CYS HB3 H 1 2.30 0.01 . 2 . . . . 160 CYS HB3 . 26647 1 767 . 1 1 142 142 CYS CA C 13 53.87 0.01 . 1 . . . . 160 CYS CA . 26647 1 768 . 1 1 142 142 CYS CB C 13 39.62 0.01 . 1 . . . . 160 CYS CB . 26647 1 769 . 1 1 142 142 CYS N N 15 121.40 0.01 . 1 . . . . 160 CYS N . 26647 1 770 . 1 1 143 143 PHE H H 1 9.42 0.01 . 1 . . . . 161 PHE H . 26647 1 771 . 1 1 143 143 PHE HA H 1 4.62 0.01 . 1 . . . . 161 PHE HA . 26647 1 772 . 1 1 143 143 PHE HB2 H 1 3.12 0.01 . 2 . . . . 161 PHE HB2 . 26647 1 773 . 1 1 143 143 PHE CA C 13 54.68 0.01 . 1 . . . . 161 PHE CA . 26647 1 774 . 1 1 143 143 PHE CB C 13 36.95 0.01 . 1 . . . . 161 PHE CB . 26647 1 775 . 1 1 143 143 PHE N N 15 128.41 0.01 . 1 . . . . 161 PHE N . 26647 1 776 . 1 1 144 144 GLN H H 1 9.47 0.01 . 1 . . . . 162 GLN H . 26647 1 777 . 1 1 144 144 GLN HA H 1 4.79 0.01 . 1 . . . . 162 GLN HA . 26647 1 778 . 1 1 144 144 GLN HB2 H 1 2.06 0.01 . 2 . . . . 162 GLN HB2 . 26647 1 779 . 1 1 144 144 GLN HB3 H 1 1.87 0.01 . 2 . . . . 162 GLN HB3 . 26647 1 780 . 1 1 144 144 GLN CA C 13 51.46 0.01 . 1 . . . . 162 GLN CA . 26647 1 781 . 1 1 144 144 GLN CB C 13 28.04 0.01 . 1 . . . . 162 GLN CB . 26647 1 782 . 1 1 144 144 GLN N N 15 125.33 0.01 . 1 . . . . 162 GLN N . 26647 1 783 . 1 1 145 145 VAL H H 1 9.23 0.01 . 1 . . . . 163 VAL H . 26647 1 784 . 1 1 145 145 VAL HA H 1 4.74 0.01 . 1 . . . . 163 VAL HA . 26647 1 785 . 1 1 145 145 VAL HB H 1 1.82 0.01 . 1 . . . . 163 VAL HB . 26647 1 786 . 1 1 145 145 VAL HG11 H 1 0.77 0.01 . 2 . . . . 163 VAL MG1 . 26647 1 787 . 1 1 145 145 VAL HG12 H 1 0.77 0.01 . 2 . . . . 163 VAL MG1 . 26647 1 788 . 1 1 145 145 VAL HG13 H 1 0.77 0.01 . 2 . . . . 163 VAL MG1 . 26647 1 789 . 1 1 145 145 VAL CA C 13 58.45 0.01 . 1 . . . . 163 VAL CA . 26647 1 790 . 1 1 145 145 VAL N N 15 130.06 0.01 . 1 . . . . 163 VAL N . 26647 1 791 . 1 1 146 146 THR H H 1 9.09 0.01 . 1 . . . . 164 THR H . 26647 1 792 . 1 1 146 146 THR HA H 1 3.92 0.01 . 1 . . . . 164 THR HA . 26647 1 793 . 1 1 146 146 THR HG21 H 1 1.06 0.01 . 1 . . . . 164 THR MG . 26647 1 794 . 1 1 146 146 THR HG22 H 1 1.06 0.01 . 1 . . . . 164 THR MG . 26647 1 795 . 1 1 146 146 THR HG23 H 1 1.06 0.01 . 1 . . . . 164 THR MG . 26647 1 796 . 1 1 146 146 THR CA C 13 58.67 0.01 . 1 . . . . 164 THR CA . 26647 1 797 . 1 1 146 146 THR CB C 13 66.29 0.01 . 1 . . . . 164 THR CB . 26647 1 798 . 1 1 146 146 THR N N 15 125.50 0.01 . 1 . . . . 164 THR N . 26647 1 799 . 1 1 147 147 VAL H H 1 8.66 0.01 . 1 . . . . 165 VAL H . 26647 1 800 . 1 1 147 147 VAL HA H 1 4.53 0.01 . 1 . . . . 165 VAL HA . 26647 1 801 . 1 1 147 147 VAL CA C 13 55.13 0.01 . 1 . . . . 165 VAL CA . 26647 1 802 . 1 1 147 147 VAL CB C 13 26.86 0.01 . 1 . . . . 165 VAL CB . 26647 1 803 . 1 1 147 147 VAL N N 15 118.50 0.01 . 1 . . . . 165 VAL N . 26647 1 804 . 1 1 148 148 ARG H H 1 6.49 0.01 . 1 . . . . 166 ARG H . 26647 1 805 . 1 1 148 148 ARG HA H 1 5.17 0.01 . 1 . . . . 166 ARG HA . 26647 1 806 . 1 1 148 148 ARG HB2 H 1 1.88 0.01 . 2 . . . . 166 ARG HB2 . 26647 1 807 . 1 1 148 148 ARG HG2 H 1 1.55 0.01 . 2 . . . . 166 ARG HG2 . 26647 1 808 . 1 1 148 148 ARG CA C 13 50.46 0.01 . 1 . . . . 166 ARG CA . 26647 1 809 . 1 1 148 148 ARG CB C 13 30.40 0.01 . 1 . . . . 166 ARG CB . 26647 1 810 . 1 1 148 148 ARG N N 15 120.09 0.01 . 1 . . . . 166 ARG N . 26647 1 811 . 1 1 149 149 ASP H H 1 8.89 0.01 . 1 . . . . 167 ASP H . 26647 1 812 . 1 1 149 149 ASP HA H 1 4.31 0.01 . 1 . . . . 167 ASP HA . 26647 1 813 . 1 1 149 149 ASP CA C 13 49.20 0.01 . 1 . . . . 167 ASP CA . 26647 1 814 . 1 1 149 149 ASP CB C 13 37.06 0.01 . 1 . . . . 167 ASP CB . 26647 1 815 . 1 1 149 149 ASP N N 15 123.41 0.01 . 1 . . . . 167 ASP N . 26647 1 816 . 1 1 150 150 PRO CA C 13 62.67 0.01 . 1 . . . . 168 PRO CA . 26647 1 817 . 1 1 151 151 ALA H H 1 7.79 0.01 . 1 . . . . 169 ALA H . 26647 1 818 . 1 1 151 151 ALA HA H 1 4.47 0.01 . 1 . . . . 169 ALA HA . 26647 1 819 . 1 1 151 151 ALA HB1 H 1 1.42 0.01 . 1 . . . . 169 ALA MB . 26647 1 820 . 1 1 151 151 ALA HB2 H 1 1.42 0.01 . 1 . . . . 169 ALA MB . 26647 1 821 . 1 1 151 151 ALA HB3 H 1 1.42 0.01 . 1 . . . . 169 ALA MB . 26647 1 822 . 1 1 151 151 ALA CA C 13 48.22 0.01 . 1 . . . . 169 ALA CA . 26647 1 823 . 1 1 151 151 ALA CB C 13 15.56 0.01 . 1 . . . . 169 ALA CB . 26647 1 824 . 1 1 151 151 ALA N N 15 118.53 0.01 . 1 . . . . 169 ALA N . 26647 1 825 . 1 1 152 152 GLY H H 1 8.49 0.01 . 1 . . . . 170 GLY H . 26647 1 826 . 1 1 152 152 GLY HA2 H 1 4.23 0.01 . 2 . . . . 170 GLY HA2 . 26647 1 827 . 1 1 152 152 GLY HA3 H 1 3.58 0.01 . 2 . . . . 170 GLY HA3 . 26647 1 828 . 1 1 152 152 GLY CA C 13 42.12 0.01 . 1 . . . . 170 GLY CA . 26647 1 829 . 1 1 152 152 GLY N N 15 108.41 0.01 . 1 . . . . 170 GLY N . 26647 1 830 . 1 1 153 153 ARG H H 1 8.47 0.01 . 1 . . . . 171 ARG H . 26647 1 831 . 1 1 153 153 ARG HA H 1 4.53 0.01 . 1 . . . . 171 ARG HA . 26647 1 832 . 1 1 153 153 ARG HB2 H 1 1.89 0.01 . 2 . . . . 171 ARG HB2 . 26647 1 833 . 1 1 153 153 ARG HG2 H 1 1.72 0.01 . 2 . . . . 171 ARG HG2 . 26647 1 834 . 1 1 153 153 ARG CA C 13 50.96 0.01 . 1 . . . . 171 ARG CA . 26647 1 835 . 1 1 153 153 ARG CB C 13 25.76 0.01 . 1 . . . . 171 ARG CB . 26647 1 836 . 1 1 153 153 ARG N N 15 123.35 0.01 . 1 . . . . 171 ARG N . 26647 1 837 . 1 1 154 154 PRO CA C 13 60.47 0.01 . 1 . . . . 172 PRO CA . 26647 1 838 . 1 1 155 155 LEU H H 1 7.77 0.01 . 1 . . . . 173 LEU H . 26647 1 839 . 1 1 155 155 LEU HA H 1 4.50 0.01 . 1 . . . . 173 LEU HA . 26647 1 840 . 1 1 155 155 LEU HB2 H 1 1.15 0.01 . 2 . . . . 173 LEU HB2 . 26647 1 841 . 1 1 155 155 LEU CA C 13 50.38 0.01 . 1 . . . . 173 LEU CA . 26647 1 842 . 1 1 155 155 LEU CB C 13 41.70 0.01 . 1 . . . . 173 LEU CB . 26647 1 843 . 1 1 155 155 LEU N N 15 126.86 0.01 . 1 . . . . 173 LEU N . 26647 1 844 . 1 1 156 156 LEU H H 1 8.64 0.01 . 1 . . . . 174 LEU H . 26647 1 845 . 1 1 156 156 LEU HA H 1 4.46 0.01 . 1 . . . . 174 LEU HA . 26647 1 846 . 1 1 156 156 LEU HB2 H 1 1.59 0.01 . 2 . . . . 174 LEU HB2 . 26647 1 847 . 1 1 156 156 LEU HB3 H 1 1.39 0.01 . 2 . . . . 174 LEU HB3 . 26647 1 848 . 1 1 156 156 LEU CA C 13 52.59 0.01 . 1 . . . . 174 LEU CA . 26647 1 849 . 1 1 156 156 LEU CB C 13 38.80 0.01 . 1 . . . . 174 LEU CB . 26647 1 850 . 1 1 156 156 LEU N N 15 130.38 0.01 . 1 . . . . 174 LEU N . 26647 1 851 . 1 1 157 157 LEU H H 1 8.50 0.01 . 1 . . . . 175 LEU H . 26647 1 852 . 1 1 157 157 LEU HA H 1 4.51 0.01 . 1 . . . . 175 LEU HA . 26647 1 853 . 1 1 157 157 LEU HB2 H 1 1.94 0.01 . 2 . . . . 175 LEU HB2 . 26647 1 854 . 1 1 157 157 LEU CA C 13 50.32 0.01 . 1 . . . . 175 LEU CA . 26647 1 855 . 1 1 157 157 LEU CB C 13 37.73 0.01 . 1 . . . . 175 LEU CB . 26647 1 856 . 1 1 157 157 LEU N N 15 125.17 0.01 . 1 . . . . 175 LEU N . 26647 1 857 . 1 1 158 158 THR H H 1 8.12 0.01 . 1 . . . . 176 THR H . 26647 1 858 . 1 1 158 158 THR HA H 1 4.30 0.01 . 1 . . . . 176 THR HA . 26647 1 859 . 1 1 158 158 THR CA C 13 59.20 0.01 . 1 . . . . 176 THR CA . 26647 1 860 . 1 1 158 158 THR CB C 13 66.93 0.01 . 1 . . . . 176 THR CB . 26647 1 861 . 1 1 158 158 THR N N 15 119.46 0.01 . 1 . . . . 176 THR N . 26647 1 862 . 1 1 159 159 PRO CA C 13 60.14 0.01 . 1 . . . . 177 PRO CA . 26647 1 863 . 1 1 160 160 VAL H H 1 7.94 0.01 . 1 . . . . 178 VAL H . 26647 1 864 . 1 1 160 160 VAL HA H 1 4.72 0.01 . 1 . . . . 178 VAL HA . 26647 1 865 . 1 1 160 160 VAL HB H 1 1.95 0.01 . 1 . . . . 178 VAL HB . 26647 1 866 . 1 1 160 160 VAL HG11 H 1 1.01 0.01 . 2 . . . . 178 VAL MG1 . 26647 1 867 . 1 1 160 160 VAL HG12 H 1 1.01 0.01 . 2 . . . . 178 VAL MG1 . 26647 1 868 . 1 1 160 160 VAL HG13 H 1 1.01 0.01 . 2 . . . . 178 VAL MG1 . 26647 1 869 . 1 1 160 160 VAL CA C 13 57.23 0.01 . 1 . . . . 178 VAL CA . 26647 1 870 . 1 1 160 160 VAL CB C 13 32.84 0.01 . 1 . . . . 178 VAL CB . 26647 1 871 . 1 1 160 160 VAL N N 15 116.41 0.01 . 1 . . . . 178 VAL N . 26647 1 872 . 1 1 161 161 LEU H H 1 8.74 0.01 . 1 . . . . 179 LEU H . 26647 1 873 . 1 1 161 161 LEU HA H 1 5.42 0.01 . 1 . . . . 179 LEU HA . 26647 1 874 . 1 1 161 161 LEU HB2 H 1 1.71 0.01 . 2 . . . . 179 LEU HB2 . 26647 1 875 . 1 1 161 161 LEU HB3 H 1 1.34 0.01 . 2 . . . . 179 LEU HB3 . 26647 1 876 . 1 1 161 161 LEU CA C 13 49.76 0.01 . 1 . . . . 179 LEU CA . 26647 1 877 . 1 1 161 161 LEU CB C 13 41.88 0.01 . 1 . . . . 179 LEU CB . 26647 1 878 . 1 1 161 161 LEU N N 15 125.20 0.01 . 1 . . . . 179 LEU N . 26647 1 879 . 1 1 162 162 SER H H 1 9.05 0.01 . 1 . . . . 180 SER H . 26647 1 880 . 1 1 162 162 SER HA H 1 4.79 0.01 . 1 . . . . 180 SER HA . 26647 1 881 . 1 1 162 162 SER CA C 13 55.02 0.01 . 1 . . . . 180 SER CA . 26647 1 882 . 1 1 162 162 SER CB C 13 63.51 0.01 . 1 . . . . 180 SER CB . 26647 1 883 . 1 1 162 162 SER N N 15 116.55 0.01 . 1 . . . . 180 SER N . 26647 1 884 . 1 1 163 163 HIS H H 1 8.46 0.01 . 1 . . . . 181 HIS H . 26647 1 885 . 1 1 163 163 HIS HA H 1 4.94 0.01 . 1 . . . . 181 HIS HA . 26647 1 886 . 1 1 163 163 HIS CA C 13 50.71 0.01 . 1 . . . . 181 HIS CA . 26647 1 887 . 1 1 163 163 HIS CB C 13 26.61 0.01 . 1 . . . . 181 HIS CB . 26647 1 888 . 1 1 163 163 HIS N N 15 117.87 0.01 . 1 . . . . 181 HIS N . 26647 1 889 . 1 1 164 164 PRO CA C 13 60.39 0.01 . 1 . . . . 182 PRO CA . 26647 1 890 . 1 1 164 164 PRO CB C 13 28.45 0.01 . 1 . . . . 182 PRO CB . 26647 1 891 . 1 1 165 165 ILE H H 1 8.66 0.01 . 1 . . . . 183 ILE H . 26647 1 892 . 1 1 165 165 ILE HA H 1 4.39 0.01 . 1 . . . . 183 ILE HA . 26647 1 893 . 1 1 165 165 ILE HB H 1 1.49 0.01 . 1 . . . . 183 ILE HB . 26647 1 894 . 1 1 165 165 ILE CA C 13 57.34 0.01 . 1 . . . . 183 ILE CA . 26647 1 895 . 1 1 165 165 ILE CB C 13 37.67 0.01 . 1 . . . . 183 ILE CB . 26647 1 896 . 1 1 165 165 ILE N N 15 119.39 0.01 . 1 . . . . 183 ILE N . 26647 1 897 . 1 1 166 166 PHE H H 1 8.97 0.01 . 1 . . . . 184 PHE H . 26647 1 898 . 1 1 166 166 PHE HA H 1 5.36 0.01 . 1 . . . . 184 PHE HA . 26647 1 899 . 1 1 166 166 PHE HB2 H 1 3.08 0.01 . 2 . . . . 184 PHE HB2 . 26647 1 900 . 1 1 166 166 PHE HB3 H 1 2.70 0.01 . 2 . . . . 184 PHE HB3 . 26647 1 901 . 1 1 166 166 PHE CA C 13 53.09 0.01 . 1 . . . . 184 PHE CA . 26647 1 902 . 1 1 166 166 PHE CB C 13 38.89 0.01 . 1 . . . . 184 PHE CB . 26647 1 903 . 1 1 166 166 PHE N N 15 123.13 0.01 . 1 . . . . 184 PHE N . 26647 1 904 . 1 1 167 167 ASP H H 1 8.20 0.01 . 1 . . . . 185 ASP H . 26647 1 905 . 1 1 167 167 ASP HA H 1 4.52 0.01 . 1 . . . . 185 ASP HA . 26647 1 906 . 1 1 167 167 ASP HB3 H 1 2.62 0.01 . 2 . . . . 185 ASP HB3 . 26647 1 907 . 1 1 167 167 ASP CA C 13 50.92 0.01 . 1 . . . . 185 ASP CA . 26647 1 908 . 1 1 167 167 ASP CB C 13 37.79 0.01 . 1 . . . . 185 ASP CB . 26647 1 909 . 1 1 167 167 ASP N N 15 122.60 0.01 . 1 . . . . 185 ASP N . 26647 1 910 . 1 1 168 168 ASN H H 1 8.15 0.01 . 1 . . . . 186 ASN H . 26647 1 911 . 1 1 168 168 ASN HA H 1 4.64 0.01 . 1 . . . . 186 ASN HA . 26647 1 912 . 1 1 168 168 ASN HB2 H 1 2.53 0.01 . 2 . . . . 186 ASN HB2 . 26647 1 913 . 1 1 168 168 ASN CA C 13 49.52 0.01 . 1 . . . . 186 ASN CA . 26647 1 914 . 1 1 168 168 ASN CB C 13 35.35 0.01 . 1 . . . . 186 ASN CB . 26647 1 915 . 1 1 168 168 ASN N N 15 124.42 0.01 . 1 . . . . 186 ASN N . 26647 1 916 . 1 1 169 169 ARG H H 1 7.83 0.01 . 1 . . . . 187 ARG H . 26647 1 917 . 1 1 169 169 ARG HA H 1 4.12 0.01 . 1 . . . . 187 ARG HA . 26647 1 918 . 1 1 169 169 ARG HB2 H 1 1.72 0.01 . 2 . . . . 187 ARG HB2 . 26647 1 919 . 1 1 169 169 ARG HB3 H 1 1.59 0.01 . 2 . . . . 187 ARG HB3 . 26647 1 920 . 1 1 169 169 ARG CA C 13 52.74 0.01 . 1 . . . . 187 ARG CA . 26647 1 921 . 1 1 169 169 ARG CB C 13 27.96 0.01 . 1 . . . . 187 ARG CB . 26647 1 922 . 1 1 169 169 ARG N N 15 121.08 0.01 . 1 . . . . 187 ARG N . 26647 1 923 . 1 1 170 170 ALA H H 1 8.09 0.01 . 1 . . . . 188 ALA H . 26647 1 924 . 1 1 170 170 ALA HA H 1 4.50 0.01 . 1 . . . . 188 ALA HA . 26647 1 925 . 1 1 170 170 ALA HB1 H 1 1.33 0.01 . 1 . . . . 188 ALA MB . 26647 1 926 . 1 1 170 170 ALA HB2 H 1 1.33 0.01 . 1 . . . . 188 ALA MB . 26647 1 927 . 1 1 170 170 ALA HB3 H 1 1.33 0.01 . 1 . . . . 188 ALA MB . 26647 1 928 . 1 1 170 170 ALA CA C 13 47.38 0.01 . 1 . . . . 188 ALA CA . 26647 1 929 . 1 1 170 170 ALA CB C 13 14.74 0.01 . 1 . . . . 188 ALA CB . 26647 1 930 . 1 1 170 170 ALA N N 15 126.41 0.01 . 1 . . . . 188 ALA N . 26647 1 931 . 1 1 171 171 PRO CA C 13 60.32 0.01 . 1 . . . . 189 PRO CA . 26647 1 932 . 1 1 171 171 PRO CB C 13 29.00 0.01 . 1 . . . . 189 PRO CB . 26647 1 933 . 1 1 172 172 ASN H H 1 8.52 0.01 . 1 . . . . 190 ASN H . 26647 1 934 . 1 1 172 172 ASN HA H 1 4.66 0.01 . 1 . . . . 190 ASN HA . 26647 1 935 . 1 1 172 172 ASN HB2 H 1 2.79 0.01 . 2 . . . . 190 ASN HB2 . 26647 1 936 . 1 1 172 172 ASN CA C 13 50.60 0.01 . 1 . . . . 190 ASN CA . 26647 1 937 . 1 1 172 172 ASN CB C 13 35.41 0.01 . 1 . . . . 190 ASN CB . 26647 1 938 . 1 1 172 172 ASN N N 15 117.61 0.01 . 1 . . . . 190 ASN N . 26647 1 939 . 1 1 173 173 THR H H 1 7.55 0.01 . 1 . . . . 191 THR H . 26647 1 940 . 1 1 173 173 THR HA H 1 4.14 0.01 . 1 . . . . 191 THR HA . 26647 1 941 . 1 1 173 173 THR HG21 H 1 1.10 0.01 . 1 . . . . 191 THR MG . 26647 1 942 . 1 1 173 173 THR HG22 H 1 1.10 0.01 . 1 . . . . 191 THR MG . 26647 1 943 . 1 1 173 173 THR HG23 H 1 1.10 0.01 . 1 . . . . 191 THR MG . 26647 1 944 . 1 1 173 173 THR CA C 13 60.14 0.01 . 1 . . . . 191 THR CA . 26647 1 945 . 1 1 173 173 THR CB C 13 68.27 0.01 . 1 . . . . 191 THR CB . 26647 1 946 . 1 1 173 173 THR N N 15 117.60 0.01 . 1 . . . . 191 THR N . 26647 1 stop_ save_