data_50077 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50077 _Entry.Title ; 1H, 15N and 13C assignment of BRCA2 48-218(C4A) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-23 _Entry.Accession_date 2019-10-23 _Entry.Last_release_date 2019-10-23 _Entry.Original_release_date 2019-10-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of 1Hn, 15Nh, 13Co, 13Ca and 13Cb of BRCA2 48-218 with 4 cysteine mutated into alanine.' _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 Manon Julien . H.F. . . 50077 2 Simona Miron . . . . 50077 3 Aura Carreira . . . . 50077 4 Francois-Xavier Theillet . . . . 50077 5 Sophie Zinn-Justin . . . . 50077 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CEA Saclay, I2BC, University Paris XI, Gif-sur-Yvette, France' . 50077 2 . 'Institut Curie, Orsay, France' . 50077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 496 50077 '15N chemical shifts' 152 50077 '1H chemical shifts' 152 50077 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-04-21 2019-10-23 update BMRB 'update entry citation' 50077 1 . . 2019-10-29 2019-10-23 original author 'original release' 50077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50078 'BRCA2 53-131' 50077 BMRB 50079 'BRCA2 190-284' 50077 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50077 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31900740 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignment of the human BRCA2 N-terminal region ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 79 _Citation.Page_last 85 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Manon Julien . H.F. . . 50077 1 2 Simona Miron . . . . 50077 1 3 Aura Carreira . . . . 50077 1 4 Francois-Xavier Theillet . . . . 50077 1 5 Sophie Zinn-Justin . . . . 50077 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BRCA2 50077 1 NMR 50077 1 'breast cancer' 50077 1 'intrinsically disordered protein' 50077 1 mitosis 50077 1 phosphorylation 50077 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50077 _Assembly.ID 1 _Assembly.Name 'BRCA2 48-218(C4A)' _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 'BRCA2 48-218(C4A)' 1 $entity_1 . . yes native no no . . . 50077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50077 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEESEHKNNNYEPNLFKTPQ RKPSYNQLASTPIIFKEQGL TLPLYQSPVKELDKFKLDLG RNVPNSRHKSLRTVKTKMDQ ADDVSAPLLNSALSESPVVL QATHVTPQRDKSVVAGSLFH TPKFVKGRQTPKHISESLGA EVDPDMSWSSSLATPPTLSS TVLIVRNEEASE ; _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'BRCA2 48-218(C4A)' _Entity.Mutation 'C132A, C138A, C148A, C161A' _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 1 yes UNP P51587 . BRCA2 . . . . . . . . . . . . . . 50077 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Genome stability, mitosis' 50077 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 47 GLY . 50077 1 2 48 GLU . 50077 1 3 49 GLU . 50077 1 4 50 SER . 50077 1 5 51 GLU . 50077 1 6 52 HIS . 50077 1 7 53 LYS . 50077 1 8 54 ASN . 50077 1 9 55 ASN . 50077 1 10 56 ASN . 50077 1 11 57 TYR . 50077 1 12 58 GLU . 50077 1 13 59 PRO . 50077 1 14 60 ASN . 50077 1 15 61 LEU . 50077 1 16 62 PHE . 50077 1 17 63 LYS . 50077 1 18 64 THR . 50077 1 19 65 PRO . 50077 1 20 66 GLN . 50077 1 21 67 ARG . 50077 1 22 68 LYS . 50077 1 23 69 PRO . 50077 1 24 70 SER . 50077 1 25 71 TYR . 50077 1 26 72 ASN . 50077 1 27 73 GLN . 50077 1 28 74 LEU . 50077 1 29 75 ALA . 50077 1 30 76 SER . 50077 1 31 77 THR . 50077 1 32 78 PRO . 50077 1 33 79 ILE . 50077 1 34 80 ILE . 50077 1 35 81 PHE . 50077 1 36 82 LYS . 50077 1 37 83 GLU . 50077 1 38 84 GLN . 50077 1 39 85 GLY . 50077 1 40 86 LEU . 50077 1 41 87 THR . 50077 1 42 88 LEU . 50077 1 43 89 PRO . 50077 1 44 90 LEU . 50077 1 45 91 TYR . 50077 1 46 92 GLN . 50077 1 47 93 SER . 50077 1 48 94 PRO . 50077 1 49 95 VAL . 50077 1 50 96 LYS . 50077 1 51 97 GLU . 50077 1 52 98 LEU . 50077 1 53 99 ASP . 50077 1 54 100 LYS . 50077 1 55 101 PHE . 50077 1 56 102 LYS . 50077 1 57 103 LEU . 50077 1 58 104 ASP . 50077 1 59 105 LEU . 50077 1 60 106 GLY . 50077 1 61 107 ARG . 50077 1 62 108 ASN . 50077 1 63 109 VAL . 50077 1 64 110 PRO . 50077 1 65 111 ASN . 50077 1 66 112 SER . 50077 1 67 113 ARG . 50077 1 68 114 HIS . 50077 1 69 115 LYS . 50077 1 70 116 SER . 50077 1 71 117 LEU . 50077 1 72 118 ARG . 50077 1 73 119 THR . 50077 1 74 120 VAL . 50077 1 75 121 LYS . 50077 1 76 122 THR . 50077 1 77 123 LYS . 50077 1 78 124 MET . 50077 1 79 125 ASP . 50077 1 80 126 GLN . 50077 1 81 127 ALA . 50077 1 82 128 ASP . 50077 1 83 129 ASP . 50077 1 84 130 VAL . 50077 1 85 131 SER . 50077 1 86 132 ALA . 50077 1 87 133 PRO . 50077 1 88 134 LEU . 50077 1 89 135 LEU . 50077 1 90 136 ASN . 50077 1 91 137 SER . 50077 1 92 138 ALA . 50077 1 93 139 LEU . 50077 1 94 140 SER . 50077 1 95 141 GLU . 50077 1 96 142 SER . 50077 1 97 143 PRO . 50077 1 98 144 VAL . 50077 1 99 145 VAL . 50077 1 100 146 LEU . 50077 1 101 147 GLN . 50077 1 102 148 ALA . 50077 1 103 149 THR . 50077 1 104 150 HIS . 50077 1 105 151 VAL . 50077 1 106 152 THR . 50077 1 107 153 PRO . 50077 1 108 154 GLN . 50077 1 109 155 ARG . 50077 1 110 156 ASP . 50077 1 111 157 LYS . 50077 1 112 158 SER . 50077 1 113 159 VAL . 50077 1 114 160 VAL . 50077 1 115 161 ALA . 50077 1 116 162 GLY . 50077 1 117 163 SER . 50077 1 118 164 LEU . 50077 1 119 165 PHE . 50077 1 120 166 HIS . 50077 1 121 167 THR . 50077 1 122 168 PRO . 50077 1 123 169 LYS . 50077 1 124 170 PHE . 50077 1 125 171 VAL . 50077 1 126 172 LYS . 50077 1 127 173 GLY . 50077 1 128 174 ARG . 50077 1 129 175 GLN . 50077 1 130 176 THR . 50077 1 131 177 PRO . 50077 1 132 178 LYS . 50077 1 133 179 HIS . 50077 1 134 180 ILE . 50077 1 135 181 SER . 50077 1 136 182 GLU . 50077 1 137 183 SER . 50077 1 138 184 LEU . 50077 1 139 185 GLY . 50077 1 140 186 ALA . 50077 1 141 187 GLU . 50077 1 142 188 VAL . 50077 1 143 189 ASP . 50077 1 144 190 PRO . 50077 1 145 191 ASP . 50077 1 146 192 MET . 50077 1 147 193 SER . 50077 1 148 194 TRP . 50077 1 149 195 SER . 50077 1 150 196 SER . 50077 1 151 197 SER . 50077 1 152 198 LEU . 50077 1 153 199 ALA . 50077 1 154 200 THR . 50077 1 155 201 PRO . 50077 1 156 202 PRO . 50077 1 157 203 THR . 50077 1 158 204 LEU . 50077 1 159 205 SER . 50077 1 160 206 SER . 50077 1 161 207 THR . 50077 1 162 208 VAL . 50077 1 163 209 LEU . 50077 1 164 210 ILE . 50077 1 165 211 VAL . 50077 1 166 212 ARG . 50077 1 167 213 ASN . 50077 1 168 214 GLU . 50077 1 169 215 GLU . 50077 1 170 216 ALA . 50077 1 171 217 SER . 50077 1 172 218 GLU . 50077 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50077 1 . GLU 2 2 50077 1 . GLU 3 3 50077 1 . SER 4 4 50077 1 . GLU 5 5 50077 1 . HIS 6 6 50077 1 . LYS 7 7 50077 1 . ASN 8 8 50077 1 . ASN 9 9 50077 1 . ASN 10 10 50077 1 . TYR 11 11 50077 1 . GLU 12 12 50077 1 . PRO 13 13 50077 1 . ASN 14 14 50077 1 . LEU 15 15 50077 1 . PHE 16 16 50077 1 . LYS 17 17 50077 1 . THR 18 18 50077 1 . PRO 19 19 50077 1 . GLN 20 20 50077 1 . ARG 21 21 50077 1 . LYS 22 22 50077 1 . PRO 23 23 50077 1 . SER 24 24 50077 1 . TYR 25 25 50077 1 . ASN 26 26 50077 1 . GLN 27 27 50077 1 . LEU 28 28 50077 1 . ALA 29 29 50077 1 . SER 30 30 50077 1 . THR 31 31 50077 1 . PRO 32 32 50077 1 . ILE 33 33 50077 1 . ILE 34 34 50077 1 . PHE 35 35 50077 1 . LYS 36 36 50077 1 . GLU 37 37 50077 1 . GLN 38 38 50077 1 . GLY 39 39 50077 1 . LEU 40 40 50077 1 . THR 41 41 50077 1 . LEU 42 42 50077 1 . PRO 43 43 50077 1 . LEU 44 44 50077 1 . TYR 45 45 50077 1 . GLN 46 46 50077 1 . SER 47 47 50077 1 . PRO 48 48 50077 1 . VAL 49 49 50077 1 . LYS 50 50 50077 1 . GLU 51 51 50077 1 . LEU 52 52 50077 1 . ASP 53 53 50077 1 . LYS 54 54 50077 1 . PHE 55 55 50077 1 . LYS 56 56 50077 1 . LEU 57 57 50077 1 . ASP 58 58 50077 1 . LEU 59 59 50077 1 . GLY 60 60 50077 1 . ARG 61 61 50077 1 . ASN 62 62 50077 1 . VAL 63 63 50077 1 . PRO 64 64 50077 1 . ASN 65 65 50077 1 . SER 66 66 50077 1 . ARG 67 67 50077 1 . HIS 68 68 50077 1 . LYS 69 69 50077 1 . SER 70 70 50077 1 . LEU 71 71 50077 1 . ARG 72 72 50077 1 . THR 73 73 50077 1 . VAL 74 74 50077 1 . LYS 75 75 50077 1 . THR 76 76 50077 1 . LYS 77 77 50077 1 . MET 78 78 50077 1 . ASP 79 79 50077 1 . GLN 80 80 50077 1 . ALA 81 81 50077 1 . ASP 82 82 50077 1 . ASP 83 83 50077 1 . VAL 84 84 50077 1 . SER 85 85 50077 1 . ALA 86 86 50077 1 . PRO 87 87 50077 1 . LEU 88 88 50077 1 . LEU 89 89 50077 1 . ASN 90 90 50077 1 . SER 91 91 50077 1 . ALA 92 92 50077 1 . LEU 93 93 50077 1 . SER 94 94 50077 1 . GLU 95 95 50077 1 . SER 96 96 50077 1 . PRO 97 97 50077 1 . VAL 98 98 50077 1 . VAL 99 99 50077 1 . LEU 100 100 50077 1 . GLN 101 101 50077 1 . ALA 102 102 50077 1 . THR 103 103 50077 1 . HIS 104 104 50077 1 . VAL 105 105 50077 1 . THR 106 106 50077 1 . PRO 107 107 50077 1 . GLN 108 108 50077 1 . ARG 109 109 50077 1 . ASP 110 110 50077 1 . LYS 111 111 50077 1 . SER 112 112 50077 1 . VAL 113 113 50077 1 . VAL 114 114 50077 1 . ALA 115 115 50077 1 . GLY 116 116 50077 1 . SER 117 117 50077 1 . LEU 118 118 50077 1 . PHE 119 119 50077 1 . HIS 120 120 50077 1 . THR 121 121 50077 1 . PRO 122 122 50077 1 . LYS 123 123 50077 1 . PHE 124 124 50077 1 . VAL 125 125 50077 1 . LYS 126 126 50077 1 . GLY 127 127 50077 1 . ARG 128 128 50077 1 . GLN 129 129 50077 1 . THR 130 130 50077 1 . PRO 131 131 50077 1 . LYS 132 132 50077 1 . HIS 133 133 50077 1 . ILE 134 134 50077 1 . SER 135 135 50077 1 . GLU 136 136 50077 1 . SER 137 137 50077 1 . LEU 138 138 50077 1 . GLY 139 139 50077 1 . ALA 140 140 50077 1 . GLU 141 141 50077 1 . VAL 142 142 50077 1 . ASP 143 143 50077 1 . PRO 144 144 50077 1 . ASP 145 145 50077 1 . MET 146 146 50077 1 . SER 147 147 50077 1 . TRP 148 148 50077 1 . SER 149 149 50077 1 . SER 150 150 50077 1 . SER 151 151 50077 1 . LEU 152 152 50077 1 . ALA 153 153 50077 1 . THR 154 154 50077 1 . PRO 155 155 50077 1 . PRO 156 156 50077 1 . THR 157 157 50077 1 . LEU 158 158 50077 1 . SER 159 159 50077 1 . SER 160 160 50077 1 . THR 161 161 50077 1 . VAL 162 162 50077 1 . LEU 163 163 50077 1 . ILE 164 164 50077 1 . VAL 165 165 50077 1 . ARG 166 166 50077 1 . ASN 167 167 50077 1 . GLU 168 168 50077 1 . GLU 169 169 50077 1 . ALA 170 170 50077 1 . SER 171 171 50077 1 . GLU 172 172 50077 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50077 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . BRCA2 . 50077 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50077 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pETM13 . . . 50077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50077 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 50077 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 50077 1 3 'BRCA2 48-218(C4A)' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 50077 1 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50077 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50077 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50077 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 50077 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '50mM Hepes 1mM EDTA 2mM DTT pH 6.4 5% D2O 50 uM DSS' 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 . M 50077 1 pH 6.4 . pH 50077 1 pressure 1 . atm 50077 1 temperature 283 . K 50077 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50077 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50077 1 CCPN . . 50077 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50077 1 . collection 50077 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '600 MHz Bruker Advance II' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50077 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50077 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50077 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50077 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50077 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50077 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50077 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.244 internal indirect . . . . . . 50077 1 H 1 DSS 'methyl protons' . . . . ppm 0.244 internal direct 1 . . . . . 50077 1 N 15 DSS 'methyl protons' . . . . ppm 0.244 internal indirect . . . . . . 50077 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 50077 1 2 '3D HNCO' . . . 50077 1 3 '3D HN(CO)CA' . . . 50077 1 4 '3D HNCA' . . . 50077 1 5 '2D 1H-15N HSQC' . . . 50077 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 177.07 . . 1 . . . . . 47 G C . 50077 1 2 . 1 . 1 1 1 GLY CA C 13 42.861 . . 1 . . . . . 47 G CA . 50077 1 3 . 1 . 1 2 2 GLU H H 1 8.353 . . 1 . . . . . 48 E HN . 50077 1 4 . 1 . 1 2 2 GLU C C 13 176.374 . . 1 . . . . . 48 E C . 50077 1 5 . 1 . 1 2 2 GLU CA C 13 56.359 . . 1 . . . . . 48 E CA . 50077 1 6 . 1 . 1 2 2 GLU CB C 13 29.645 . . 1 . . . . . 48 E CB . 50077 1 7 . 1 . 1 2 2 GLU N N 15 120.125 . . 1 . . . . . 48 E N . 50077 1 8 . 1 . 1 3 3 GLU H H 1 8.393 . . 1 . . . . . 49 E HN . 50077 1 9 . 1 . 1 3 3 GLU C C 13 176.404 . . 1 . . . . . 49 E C . 50077 1 10 . 1 . 1 3 3 GLU CA C 13 56.695 . . 1 . . . . . 49 E CA . 50077 1 11 . 1 . 1 3 3 GLU CB C 13 29.184 . . 1 . . . . . 49 E CB . 50077 1 12 . 1 . 1 3 3 GLU N N 15 121.616 . . 1 . . . . . 49 E N . 50077 1 13 . 1 . 1 4 4 SER H H 1 7.904 . . 1 . . . . . 50 S HN . 50077 1 14 . 1 . 1 4 4 SER C C 13 174.221 . . 1 . . . . . 50 S C . 50077 1 15 . 1 . 1 4 4 SER CA C 13 58.26 . . 1 . . . . . 50 S CA . 50077 1 16 . 1 . 1 4 4 SER CB C 13 63.188 . . 1 . . . . . 50 S CB . 50077 1 17 . 1 . 1 4 4 SER N N 15 116.039 . . 1 . . . . . 50 S N . 50077 1 18 . 1 . 1 5 5 GLU H H 1 7.857 . . 1 . . . . . 51 E HN . 50077 1 19 . 1 . 1 5 5 GLU C C 13 175.847 . . 1 . . . . . 51 E C . 50077 1 20 . 1 . 1 5 5 GLU CA C 13 56.312 . . 1 . . . . . 51 E CA . 50077 1 21 . 1 . 1 5 5 GLU CB C 13 29.727 . . 1 . . . . . 51 E CB . 50077 1 22 . 1 . 1 5 5 GLU N N 15 121.983 . . 1 . . . . . 51 E N . 50077 1 23 . 1 . 1 6 6 HIS H H 1 7.916 . . 1 . . . . . 52 H HN . 50077 1 24 . 1 . 1 6 6 HIS C C 13 174.524 . . 1 . . . . . 52 H C . 50077 1 25 . 1 . 1 6 6 HIS CA C 13 55.245 . . 1 . . . . . 52 H CA . 50077 1 26 . 1 . 1 6 6 HIS CB C 13 29.03 . . 1 . . . . . 52 H CB . 50077 1 27 . 1 . 1 6 6 HIS N N 15 119.471 . . 1 . . . . . 52 H N . 50077 1 28 . 1 . 1 7 7 LYS H H 1 7.851 . . 1 . . . . . 53 K HN . 50077 1 29 . 1 . 1 7 7 LYS C C 13 175.747 . . 1 . . . . . 53 K C . 50077 1 30 . 1 . 1 7 7 LYS CA C 13 55.767 . . 1 . . . . . 53 K CA . 50077 1 31 . 1 . 1 7 7 LYS CB C 13 32.49 . . 1 . . . . . 53 K CB . 50077 1 32 . 1 . 1 7 7 LYS N N 15 122.199 . . 1 . . . . . 53 K N . 50077 1 33 . 1 . 1 8 8 ASN H H 1 8.12 . . 1 . . . . . 54 N HN . 50077 1 34 . 1 . 1 8 8 ASN C C 13 174.538 . . 1 . . . . . 54 N C . 50077 1 35 . 1 . 1 8 8 ASN CA C 13 52.74 . . 1 . . . . . 54 N CA . 50077 1 36 . 1 . 1 8 8 ASN CB C 13 38.347 . . 1 . . . . . 54 N CB . 50077 1 37 . 1 . 1 8 8 ASN N N 15 119.292 . . 1 . . . . . 54 N N . 50077 1 38 . 1 . 1 9 9 ASN H H 1 8.005 . . 1 . . . . . 55 N HN . 50077 1 39 . 1 . 1 9 9 ASN C C 13 174.341 . . 1 . . . . . 55 N C . 50077 1 40 . 1 . 1 9 9 ASN CA C 13 52.825 . . 1 . . . . . 55 N CA . 50077 1 41 . 1 . 1 9 9 ASN CB C 13 38.331 . . 1 . . . . . 55 N CB . 50077 1 42 . 1 . 1 9 9 ASN N N 15 118.928 . . 1 . . . . . 55 N N . 50077 1 43 . 1 . 1 10 10 ASN H H 1 7.929 . . 1 . . . . . 56 N HN . 50077 1 44 . 1 . 1 10 10 ASN C C 13 174.147 . . 1 . . . . . 56 N C . 50077 1 45 . 1 . 1 10 10 ASN CA C 13 52.813 . . 1 . . . . . 56 N CA . 50077 1 46 . 1 . 1 10 10 ASN CB C 13 38.195 . . 1 . . . . . 56 N CB . 50077 1 47 . 1 . 1 10 10 ASN N N 15 118.309 . . 1 . . . . . 56 N N . 50077 1 48 . 1 . 1 11 11 TYR H H 1 7.685 . . 1 . . . . . 57 Y HN . 50077 1 49 . 1 . 1 11 11 TYR C C 13 174.703 . . 1 . . . . . 57 Y C . 50077 1 50 . 1 . 1 11 11 TYR CA C 13 57.358 . . 1 . . . . . 57 Y CA . 50077 1 51 . 1 . 1 11 11 TYR CB C 13 38.205 . . 1 . . . . . 57 Y CB . 50077 1 52 . 1 . 1 11 11 TYR N N 15 120.318 . . 1 . . . . . 57 Y N . 50077 1 53 . 1 . 1 12 12 GLU H H 1 7.73 . . 1 . . . . . 58 E HN . 50077 1 54 . 1 . 1 12 12 GLU C C 13 173.552 . . 1 . . . . . 58 E C . 50077 1 55 . 1 . 1 12 12 GLU CA C 13 53.374 . . 1 . . . . . 58 E CA . 50077 1 56 . 1 . 1 12 12 GLU CB C 13 29.644 . . 1 . . . . . 58 E CB . 50077 1 57 . 1 . 1 12 12 GLU N N 15 124.801 . . 1 . . . . . 58 E N . 50077 1 58 . 1 . 1 13 13 PRO C C 13 176.337 . . 1 . . . . . 59 P C . 50077 1 59 . 1 . 1 13 13 PRO CA C 13 62.97 . . 1 . . . . . 59 P CA . 50077 1 60 . 1 . 1 13 13 PRO CB C 13 31.524 . . 1 . . . . . 59 P CB . 50077 1 61 . 1 . 1 14 14 ASN H H 1 8.147 . . 1 . . . . . 60 N HN . 50077 1 62 . 1 . 1 14 14 ASN C C 13 174.88 . . 1 . . . . . 60 N C . 50077 1 63 . 1 . 1 14 14 ASN CA C 13 52.827 . . 1 . . . . . 60 N CA . 50077 1 64 . 1 . 1 14 14 ASN CB C 13 37.974 . . 1 . . . . . 60 N CB . 50077 1 65 . 1 . 1 14 14 ASN N N 15 117.515 . . 1 . . . . . 60 N N . 50077 1 66 . 1 . 1 15 15 LEU H H 1 7.647 . . 1 . . . . . 61 L HN . 50077 1 67 . 1 . 1 15 15 LEU C C 13 176.67 . . 1 . . . . . 61 L C . 50077 1 68 . 1 . 1 15 15 LEU CA C 13 54.925 . . 1 . . . . . 61 L CA . 50077 1 69 . 1 . 1 15 15 LEU CB C 13 41.632 . . 1 . . . . . 61 L CB . 50077 1 70 . 1 . 1 15 15 LEU N N 15 122.059 . . 1 . . . . . 61 L N . 50077 1 71 . 1 . 1 16 16 PHE H H 1 7.685 . . 1 . . . . . 62 F HN . 50077 1 72 . 1 . 1 16 16 PHE C C 13 175.149 . . 1 . . . . . 62 F C . 50077 1 73 . 1 . 1 16 16 PHE CA C 13 57.211 . . 1 . . . . . 62 F CA . 50077 1 74 . 1 . 1 16 16 PHE CB C 13 38.767 . . 1 . . . . . 62 F CB . 50077 1 75 . 1 . 1 16 16 PHE N N 15 119.348 . . 1 . . . . . 62 F N . 50077 1 76 . 1 . 1 17 17 LYS H H 1 7.628 . . 1 . . . . . 63 K HN . 50077 1 77 . 1 . 1 17 17 LYS C C 13 175.656 . . 1 . . . . . 63 K C . 50077 1 78 . 1 . 1 17 17 LYS CA C 13 55.493 . . 1 . . . . . 63 K CA . 50077 1 79 . 1 . 1 17 17 LYS CB C 13 32.56 . . 1 . . . . . 63 K CB . 50077 1 80 . 1 . 1 17 17 LYS N N 15 122.059 . . 1 . . . . . 63 K N . 50077 1 81 . 1 . 1 18 18 THR H H 1 7.717 . . 1 . . . . . 64 T HN . 50077 1 82 . 1 . 1 18 18 THR C C 13 172.342 . . 1 . . . . . 64 T C . 50077 1 83 . 1 . 1 18 18 THR CA C 13 59.524 . . 1 . . . . . 64 T CA . 50077 1 84 . 1 . 1 18 18 THR CB C 13 69.108 . . 1 . . . . . 64 T CB . 50077 1 85 . 1 . 1 18 18 THR N N 15 117.392 . . 1 . . . . . 64 T N . 50077 1 86 . 1 . 1 19 19 PRO C C 13 176.314 . . 1 . . . . . 65 P C . 50077 1 87 . 1 . 1 19 19 PRO CA C 13 62.722 . . 1 . . . . . 65 P CA . 50077 1 88 . 1 . 1 19 19 PRO CB C 13 31.655 . . 1 . . . . . 65 P CB . 50077 1 89 . 1 . 1 20 20 GLN H H 1 8.091 . . 1 . . . . . 66 Q HN . 50077 1 90 . 1 . 1 20 20 GLN C C 13 175.482 . . 1 . . . . . 66 Q C . 50077 1 91 . 1 . 1 20 20 GLN CA C 13 55.195 . . 1 . . . . . 66 Q CA . 50077 1 92 . 1 . 1 20 20 GLN CB C 13 29.11 . . 1 . . . . . 66 Q CB . 50077 1 93 . 1 . 1 20 20 GLN N N 15 120.834 . . 1 . . . . . 66 Q N . 50077 1 94 . 1 . 1 21 21 ARG H H 1 8.013 . . 1 . . . . . 67 R HN . 50077 1 95 . 1 . 1 21 21 ARG C C 13 175.543 . . 1 . . . . . 67 R C . 50077 1 96 . 1 . 1 21 21 ARG CA C 13 55.342 . . 1 . . . . . 67 R CA . 50077 1 97 . 1 . 1 21 21 ARG CB C 13 30.344 . . 1 . . . . . 67 R CB . 50077 1 98 . 1 . 1 21 21 ARG N N 15 122.889 . . 1 . . . . . 67 R N . 50077 1 99 . 1 . 1 22 22 LYS H H 1 8.059 . . 1 . . . . . 68 K HN . 50077 1 100 . 1 . 1 22 22 LYS C C 13 174.055 . . 1 . . . . . 68 K C . 50077 1 101 . 1 . 1 22 22 LYS CA C 13 53.809 . . 1 . . . . . 68 K CA . 50077 1 102 . 1 . 1 22 22 LYS CB C 13 31.886 . . 1 . . . . . 68 K CB . 50077 1 103 . 1 . 1 22 22 LYS N N 15 124.354 . . 1 . . . . . 68 K N . 50077 1 104 . 1 . 1 23 23 PRO C C 13 176.146 . . 1 . . . . . 69 P C . 50077 1 105 . 1 . 1 23 23 PRO CA C 13 62.653 . . 1 . . . . . 69 P CA . 50077 1 106 . 1 . 1 23 23 PRO CB C 13 31.632 . . 1 . . . . . 69 P CB . 50077 1 107 . 1 . 1 24 24 SER H H 1 7.909 . . 1 . . . . . 70 S HN . 50077 1 108 . 1 . 1 24 24 SER C C 13 173.784 . . 1 . . . . . 70 S C . 50077 1 109 . 1 . 1 24 24 SER CA C 13 57.57 . . 1 . . . . . 70 S CA . 50077 1 110 . 1 . 1 24 24 SER CB C 13 63.422 . . 1 . . . . . 70 S CB . 50077 1 111 . 1 . 1 24 24 SER N N 15 115.405 . . 1 . . . . . 70 S N . 50077 1 112 . 1 . 1 25 25 TYR H H 1 7.811 . . 1 . . . . . 71 Y HN . 50077 1 113 . 1 . 1 25 25 TYR C C 13 175.006 . . 1 . . . . . 71 Y C . 50077 1 114 . 1 . 1 25 25 TYR CA C 13 57.579 . . 1 . . . . . 71 Y CA . 50077 1 115 . 1 . 1 25 25 TYR CB C 13 38.235 . . 1 . . . . . 71 Y CB . 50077 1 116 . 1 . 1 25 25 TYR N N 15 121.836 . . 1 . . . . . 71 Y N . 50077 1 117 . 1 . 1 26 26 ASN H H 1 7.9 . . 1 . . . . . 72 N HN . 50077 1 118 . 1 . 1 26 26 ASN C C 13 174.408 . . 1 . . . . . 72 N C . 50077 1 119 . 1 . 1 26 26 ASN CA C 13 52.563 . . 1 . . . . . 72 N CA . 50077 1 120 . 1 . 1 26 26 ASN CB C 13 38.303 . . 1 . . . . . 72 N CB . 50077 1 121 . 1 . 1 26 26 ASN N N 15 120.194 . . 1 . . . . . 72 N N . 50077 1 122 . 1 . 1 27 27 GLN H H 1 7.848 . . 1 . . . . . 73 Q HN . 50077 1 123 . 1 . 1 27 27 GLN C C 13 175.533 . . 1 . . . . . 73 Q C . 50077 1 124 . 1 . 1 27 27 GLN CA C 13 55.659 . . 1 . . . . . 73 Q CA . 50077 1 125 . 1 . 1 27 27 GLN CB C 13 28.855 . . 1 . . . . . 73 Q CB . 50077 1 126 . 1 . 1 27 27 GLN N N 15 120.681 . . 1 . . . . . 73 Q N . 50077 1 127 . 1 . 1 28 28 LEU H H 1 7.797 . . 1 . . . . . 74 L HN . 50077 1 128 . 1 . 1 28 28 LEU C C 13 176.832 . . 1 . . . . . 74 L C . 50077 1 129 . 1 . 1 28 28 LEU CA C 13 54.642 . . 1 . . . . . 74 L CA . 50077 1 130 . 1 . 1 28 28 LEU CB C 13 41.738 . . 1 . . . . . 74 L CB . 50077 1 131 . 1 . 1 28 28 LEU N N 15 122.659 . . 1 . . . . . 74 L N . 50077 1 132 . 1 . 1 29 29 ALA H H 1 7.802 . . 1 . . . . . 75 A HN . 50077 1 133 . 1 . 1 29 29 ALA C C 13 177.196 . . 1 . . . . . 75 A C . 50077 1 134 . 1 . 1 29 29 ALA CA C 13 52.045 . . 1 . . . . . 75 A CA . 50077 1 135 . 1 . 1 29 29 ALA CB C 13 18.746 . . 1 . . . . . 75 A CB . 50077 1 136 . 1 . 1 29 29 ALA N N 15 124.236 . . 1 . . . . . 75 A N . 50077 1 137 . 1 . 1 30 30 SER H H 1 7.788 . . 1 . . . . . 76 S HN . 50077 1 138 . 1 . 1 30 30 SER C C 13 173.815 . . 1 . . . . . 76 S C . 50077 1 139 . 1 . 1 30 30 SER CA C 13 57.65 . . 1 . . . . . 76 S CA . 50077 1 140 . 1 . 1 30 30 SER CB C 13 63.313 . . 1 . . . . . 76 S CB . 50077 1 141 . 1 . 1 30 30 SER N N 15 114.561 . . 1 . . . . . 76 S N . 50077 1 142 . 1 . 1 31 31 THR H H 1 7.704 . . 1 . . . . . 77 T HN . 50077 1 143 . 1 . 1 31 31 THR C C 13 172.184 . . 1 . . . . . 77 T C . 50077 1 144 . 1 . 1 31 31 THR CA C 13 59.511 . . 1 . . . . . 77 T CA . 50077 1 145 . 1 . 1 31 31 THR CB C 13 69.287 . . 1 . . . . . 77 T CB . 50077 1 146 . 1 . 1 31 31 THR N N 15 118.278 . . 1 . . . . . 77 T N . 50077 1 147 . 1 . 1 32 32 PRO C C 13 176.112 . . 1 . . . . . 78 P C . 50077 1 148 . 1 . 1 32 32 PRO CA C 13 62.687 . . 1 . . . . . 78 P CA . 50077 1 149 . 1 . 1 32 32 PRO CB C 13 31.767 . . 1 . . . . . 78 P CB . 50077 1 150 . 1 . 1 33 33 ILE H H 1 7.845 . . 1 . . . . . 79 I HN . 50077 1 151 . 1 . 1 33 33 ILE C C 13 175.527 . . 1 . . . . . 79 I C . 50077 1 152 . 1 . 1 33 33 ILE CA C 13 60.693 . . 1 . . . . . 79 I CA . 50077 1 153 . 1 . 1 33 33 ILE CB C 13 38.025 . . 1 . . . . . 79 I CB . 50077 1 154 . 1 . 1 33 33 ILE N N 15 121.812 . . 1 . . . . . 79 I N . 50077 1 155 . 1 . 1 34 34 ILE H H 1 7.738 . . 1 . . . . . 80 I HN . 50077 1 156 . 1 . 1 34 34 ILE C C 13 175.273 . . 1 . . . . . 80 I C . 50077 1 157 . 1 . 1 34 34 ILE CA C 13 60.035 . . 1 . . . . . 80 I CA . 50077 1 158 . 1 . 1 34 34 ILE CB C 13 37.874 . . 1 . . . . . 80 I CB . 50077 1 159 . 1 . 1 34 34 ILE N N 15 125.418 . . 1 . . . . . 80 I N . 50077 1 160 . 1 . 1 35 35 PHE H H 1 8.012 . . 1 . . . . . 81 F HN . 50077 1 161 . 1 . 1 35 35 PHE C C 13 174.917 . . 1 . . . . . 81 F C . 50077 1 162 . 1 . 1 35 35 PHE CA C 13 57.319 . . 1 . . . . . 81 F CA . 50077 1 163 . 1 . 1 35 35 PHE CB C 13 39.173 . . 1 . . . . . 81 F CB . 50077 1 164 . 1 . 1 35 35 PHE N N 15 125.624 . . 1 . . . . . 81 F N . 50077 1 165 . 1 . 1 36 36 LYS H H 1 7.787 . . 1 . . . . . 82 K HN . 50077 1 166 . 1 . 1 36 36 LYS C C 13 175.475 . . 1 . . . . . 82 K C . 50077 1 167 . 1 . 1 36 36 LYS CA C 13 55.647 . . 1 . . . . . 82 K CA . 50077 1 168 . 1 . 1 36 36 LYS CB C 13 32.856 . . 1 . . . . . 82 K CB . 50077 1 169 . 1 . 1 36 36 LYS N N 15 123.842 . . 1 . . . . . 82 K N . 50077 1 170 . 1 . 1 37 37 GLU H H 1 8.008 . . 1 . . . . . 83 E HN . 50077 1 171 . 1 . 1 37 37 GLU C C 13 176.062 . . 1 . . . . . 83 E C . 50077 1 172 . 1 . 1 37 37 GLU CA C 13 56.239 . . 1 . . . . . 83 E CA . 50077 1 173 . 1 . 1 37 37 GLU CB C 13 29.532 . . 1 . . . . . 83 E CB . 50077 1 174 . 1 . 1 37 37 GLU N N 15 122.158 . . 1 . . . . . 83 E N . 50077 1 175 . 1 . 1 38 38 GLN H H 1 8.077 . . 1 . . . . . 84 Q HN . 50077 1 176 . 1 . 1 38 38 GLN C C 13 175.998 . . 1 . . . . . 84 Q C . 50077 1 177 . 1 . 1 38 38 GLN CA C 13 55.627 . . 1 . . . . . 84 Q CA . 50077 1 178 . 1 . 1 38 38 GLN CB C 13 29.078 . . 1 . . . . . 84 Q CB . 50077 1 179 . 1 . 1 38 38 GLN N N 15 121.414 . . 1 . . . . . 84 Q N . 50077 1 180 . 1 . 1 39 39 GLY H H 1 8.055 . . 1 . . . . . 85 G HN . 50077 1 181 . 1 . 1 39 39 GLY C C 13 173.469 . . 1 . . . . . 85 G C . 50077 1 182 . 1 . 1 39 39 GLY CA C 13 44.872 . . 1 . . . . . 85 G CA . 50077 1 183 . 1 . 1 39 39 GLY N N 15 109.563 . . 1 . . . . . 85 G N . 50077 1 184 . 1 . 1 40 40 LEU H H 1 7.696 . . 1 . . . . . 86 L HN . 50077 1 185 . 1 . 1 40 40 LEU C C 13 177.068 . . 1 . . . . . 86 L C . 50077 1 186 . 1 . 1 40 40 LEU CA C 13 54.609 . . 1 . . . . . 86 L CA . 50077 1 187 . 1 . 1 40 40 LEU CB C 13 42.056 . . 1 . . . . . 86 L CB . 50077 1 188 . 1 . 1 40 40 LEU N N 15 121.099 . . 1 . . . . . 86 L N . 50077 1 189 . 1 . 1 41 41 THR H H 1 7.808 . . 1 . . . . . 87 T HN . 50077 1 190 . 1 . 1 41 41 THR C C 13 173.665 . . 1 . . . . . 87 T C . 50077 1 191 . 1 . 1 41 41 THR CA C 13 61.317 . . 1 . . . . . 87 T CA . 50077 1 192 . 1 . 1 41 41 THR CB C 13 69.325 . . 1 . . . . . 87 T CB . 50077 1 193 . 1 . 1 41 41 THR N N 15 115.971 . . 1 . . . . . 87 T N . 50077 1 194 . 1 . 1 42 42 LEU H H 1 7.885 . . 1 . . . . . 88 L HN . 50077 1 195 . 1 . 1 42 42 LEU C C 13 174.573 . . 1 . . . . . 88 L C . 50077 1 196 . 1 . 1 42 42 LEU CA C 13 52.546 . . 1 . . . . . 88 L CA . 50077 1 197 . 1 . 1 42 42 LEU CB C 13 41.359 . . 1 . . . . . 88 L CB . 50077 1 198 . 1 . 1 42 42 LEU N N 15 126.386 . . 1 . . . . . 88 L N . 50077 1 199 . 1 . 1 43 43 PRO C C 13 176.051 . . 1 . . . . . 89 P C . 50077 1 200 . 1 . 1 43 43 PRO CA C 13 62.395 . . 1 . . . . . 89 P CA . 50077 1 201 . 1 . 1 43 43 PRO CB C 13 31.522 . . 1 . . . . . 89 P CB . 50077 1 202 . 1 . 1 44 44 LEU H H 1 7.805 . . 1 . . . . . 90 L HN . 50077 1 203 . 1 . 1 44 44 LEU C C 13 176.68 . . 1 . . . . . 90 L C . 50077 1 204 . 1 . 1 44 44 LEU CA C 13 54.731 . . 1 . . . . . 90 L CA . 50077 1 205 . 1 . 1 44 44 LEU CB C 13 41.899 . . 1 . . . . . 90 L CB . 50077 1 206 . 1 . 1 44 44 LEU N N 15 121.561 . . 1 . . . . . 90 L N . 50077 1 207 . 1 . 1 45 45 TYR H H 1 7.725 . . 1 . . . . . 91 Y HN . 50077 1 208 . 1 . 1 45 45 TYR C C 13 174.834 . . 1 . . . . . 91 Y C . 50077 1 209 . 1 . 1 45 45 TYR CA C 13 57.303 . . 1 . . . . . 91 Y CA . 50077 1 210 . 1 . 1 45 45 TYR CB C 13 38.261 . . 1 . . . . . 91 Y CB . 50077 1 211 . 1 . 1 45 45 TYR N N 15 120.441 . . 1 . . . . . 91 Y N . 50077 1 212 . 1 . 1 46 46 GLN H H 1 7.657 . . 1 . . . . . 92 Q HN . 50077 1 213 . 1 . 1 46 46 GLN C C 13 174.454 . . 1 . . . . . 92 Q C . 50077 1 214 . 1 . 1 46 46 GLN CA C 13 54.475 . . 1 . . . . . 92 Q CA . 50077 1 215 . 1 . 1 46 46 GLN CB C 13 29.565 . . 1 . . . . . 92 Q CB . 50077 1 216 . 1 . 1 46 46 GLN N N 15 122.726 . . 1 . . . . . 92 Q N . 50077 1 217 . 1 . 1 47 47 SER H H 1 7.957 . . 1 . . . . . 93 S HN . 50077 1 218 . 1 . 1 47 47 SER C C 13 172.396 . . 1 . . . . . 93 S C . 50077 1 219 . 1 . 1 47 47 SER CA C 13 56.113 . . 1 . . . . . 93 S CA . 50077 1 220 . 1 . 1 47 47 SER CB C 13 62.895 . . 1 . . . . . 93 S CB . 50077 1 221 . 1 . 1 47 47 SER N N 15 118.955 . . 1 . . . . . 93 S N . 50077 1 222 . 1 . 1 48 48 PRO C C 13 176.388 . . 1 . . . . . 94 P C . 50077 1 223 . 1 . 1 48 48 PRO CA C 13 62.744 . . 1 . . . . . 94 P CA . 50077 1 224 . 1 . 1 48 48 PRO CB C 13 31.623 . . 1 . . . . . 94 P CB . 50077 1 225 . 1 . 1 49 49 VAL H H 1 7.771 . . 1 . . . . . 95 V HN . 50077 1 226 . 1 . 1 49 49 VAL C C 13 175.792 . . 1 . . . . . 95 V C . 50077 1 227 . 1 . 1 49 49 VAL CA C 13 62.092 . . 1 . . . . . 95 V CA . 50077 1 228 . 1 . 1 49 49 VAL CB C 13 32.108 . . 1 . . . . . 95 V CB . 50077 1 229 . 1 . 1 49 49 VAL N N 15 120.635 . . 1 . . . . . 95 V N . 50077 1 230 . 1 . 1 50 50 LYS H H 1 7.99 . . 1 . . . . . 96 K HN . 50077 1 231 . 1 . 1 50 50 LYS C C 13 176.118 . . 1 . . . . . 96 K C . 50077 1 232 . 1 . 1 50 50 LYS CA C 13 55.85 . . 1 . . . . . 96 K CA . 50077 1 233 . 1 . 1 50 50 LYS N N 15 125.312 . . 1 . . . . . 96 K N . 50077 1 234 . 1 . 1 51 51 GLU H H 1 8.044 . . 1 . . . . . 97 E HN . 50077 1 235 . 1 . 1 51 51 GLU C C 13 175.61 . . 1 . . . . . 97 E C . 50077 1 236 . 1 . 1 51 51 GLU CA C 13 56.276 . . 1 . . . . . 97 E CA . 50077 1 237 . 1 . 1 51 51 GLU CB C 13 29.707 . . 1 . . . . . 97 E CB . 50077 1 238 . 1 . 1 51 51 GLU N N 15 122.454 . . 1 . . . . . 97 E N . 50077 1 239 . 1 . 1 52 52 LEU H H 1 7.877 . . 1 . . . . . 98 L HN . 50077 1 240 . 1 . 1 52 52 LEU C C 13 177.003 . . 1 . . . . . 98 L C . 50077 1 241 . 1 . 1 52 52 LEU CA C 13 55.038 . . 1 . . . . . 98 L CA . 50077 1 242 . 1 . 1 52 52 LEU CB C 13 41.847 . . 1 . . . . . 98 L CB . 50077 1 243 . 1 . 1 52 52 LEU N N 15 122.44 . . 1 . . . . . 98 L N . 50077 1 244 . 1 . 1 53 53 ASP H H 1 7.878 . . 1 . . . . . 99 D HN . 50077 1 245 . 1 . 1 53 53 ASP C C 13 176.333 . . 1 . . . . . 99 D C . 50077 1 246 . 1 . 1 53 53 ASP CA C 13 54.195 . . 1 . . . . . 99 D CA . 50077 1 247 . 1 . 1 53 53 ASP CB C 13 40.513 . . 1 . . . . . 99 D CB . 50077 1 248 . 1 . 1 53 53 ASP N N 15 120.55 . . 1 . . . . . 99 D N . 50077 1 249 . 1 . 1 54 54 LYS H H 1 7.704 . . 1 . . . . . 100 K HN . 50077 1 250 . 1 . 1 54 54 LYS C C 13 176.321 . . 1 . . . . . 100 K C . 50077 1 251 . 1 . 1 54 54 LYS CA C 13 56.778 . . 1 . . . . . 100 K CA . 50077 1 252 . 1 . 1 54 54 LYS CB C 13 31.968 . . 1 . . . . . 100 K CB . 50077 1 253 . 1 . 1 54 54 LYS N N 15 121.09 . . 1 . . . . . 100 K N . 50077 1 254 . 1 . 1 55 55 PHE H H 1 7.687 . . 1 . . . . . 101 F HN . 50077 1 255 . 1 . 1 55 55 PHE C C 13 175.53 . . 1 . . . . . 101 F C . 50077 1 256 . 1 . 1 55 55 PHE CA C 13 57.744 . . 1 . . . . . 101 F CA . 50077 1 257 . 1 . 1 55 55 PHE CB C 13 38.519 . . 1 . . . . . 101 F CB . 50077 1 258 . 1 . 1 55 55 PHE N N 15 118.998 . . 1 . . . . . 101 F N . 50077 1 259 . 1 . 1 56 56 LYS H H 1 7.469 . . 1 . . . . . 102 K HN . 50077 1 260 . 1 . 1 56 56 LYS C C 13 176.013 . . 1 . . . . . 102 K C . 50077 1 261 . 1 . 1 56 56 LYS CA C 13 56.152 . . 1 . . . . . 102 K CA . 50077 1 262 . 1 . 1 56 56 LYS CB C 13 32.471 . . 1 . . . . . 102 K CB . 50077 1 263 . 1 . 1 56 56 LYS N N 15 121.322 . . 1 . . . . . 102 K N . 50077 1 264 . 1 . 1 57 57 LEU H H 1 7.702 . . 1 . . . . . 103 L HN . 50077 1 265 . 1 . 1 57 57 LEU C C 13 176.611 . . 1 . . . . . 103 L C . 50077 1 266 . 1 . 1 57 57 LEU CA C 13 54.886 . . 1 . . . . . 103 L CA . 50077 1 267 . 1 . 1 57 57 LEU CB C 13 41.99 . . 1 . . . . . 103 L CB . 50077 1 268 . 1 . 1 57 57 LEU N N 15 122.486 . . 1 . . . . . 103 L N . 50077 1 269 . 1 . 1 58 58 ASP H H 1 7.905 . . 1 . . . . . 104 D HN . 50077 1 270 . 1 . 1 58 58 ASP C C 13 176.089 . . 1 . . . . . 104 D C . 50077 1 271 . 1 . 1 58 58 ASP CA C 13 53.702 . . 1 . . . . . 104 D CA . 50077 1 272 . 1 . 1 58 58 ASP CB C 13 40.616 . . 1 . . . . . 104 D CB . 50077 1 273 . 1 . 1 58 58 ASP N N 15 121.018 . . 1 . . . . . 104 D N . 50077 1 274 . 1 . 1 59 59 LEU H H 1 7.834 . . 1 . . . . . 105 L HN . 50077 1 275 . 1 . 1 59 59 LEU C C 13 177.887 . . 1 . . . . . 105 L C . 50077 1 276 . 1 . 1 59 59 LEU CA C 13 55.202 . . 1 . . . . . 105 L CA . 50077 1 277 . 1 . 1 59 59 LEU CB C 13 41.474 . . 1 . . . . . 105 L CB . 50077 1 278 . 1 . 1 59 59 LEU N N 15 122.867 . . 1 . . . . . 105 L N . 50077 1 279 . 1 . 1 60 60 GLY H H 1 8.024 . . 1 . . . . . 106 G HN . 50077 1 280 . 1 . 1 60 60 GLY C C 13 173.954 . . 1 . . . . . 106 G C . 50077 1 281 . 1 . 1 60 60 GLY CA C 13 45.065 . . 1 . . . . . 106 G CA . 50077 1 282 . 1 . 1 60 60 GLY N N 15 108.142 . . 1 . . . . . 106 G N . 50077 1 283 . 1 . 1 61 61 ARG H H 1 7.543 . . 1 . . . . . 107 R HN . 50077 1 284 . 1 . 1 61 61 ARG C C 13 175.612 . . 1 . . . . . 107 R C . 50077 1 285 . 1 . 1 61 61 ARG CA C 13 55.693 . . 1 . . . . . 107 R CA . 50077 1 286 . 1 . 1 61 61 ARG CB C 13 30.258 . . 1 . . . . . 107 R CB . 50077 1 287 . 1 . 1 61 61 ARG N N 15 119.338 . . 1 . . . . . 107 R N . 50077 1 288 . 1 . 1 62 62 ASN H H 1 8.046 . . 1 . . . . . 108 N HN . 50077 1 289 . 1 . 1 62 62 ASN C C 13 174.238 . . 1 . . . . . 108 N C . 50077 1 290 . 1 . 1 62 62 ASN CA C 13 52.716 . . 1 . . . . . 108 N CA . 50077 1 291 . 1 . 1 62 62 ASN CB C 13 38.233 . . 1 . . . . . 108 N CB . 50077 1 292 . 1 . 1 62 62 ASN N N 15 119.154 . . 1 . . . . . 108 N N . 50077 1 293 . 1 . 1 63 63 VAL H H 1 7.655 . . 1 . . . . . 109 V HN . 50077 1 294 . 1 . 1 63 63 VAL C C 13 174.055 . . 1 . . . . . 109 V C . 50077 1 295 . 1 . 1 63 63 VAL CA C 13 59.569 . . 1 . . . . . 109 V CA . 50077 1 296 . 1 . 1 63 63 VAL CB C 13 32.049 . . 1 . . . . . 109 V CB . 50077 1 297 . 1 . 1 63 63 VAL N N 15 121.48 . . 1 . . . . . 109 V N . 50077 1 298 . 1 . 1 64 64 PRO C C 13 176.282 . . 1 . . . . . 110 P C . 50077 1 299 . 1 . 1 64 64 PRO CA C 13 62.91 . . 1 . . . . . 110 P CA . 50077 1 300 . 1 . 1 65 65 ASN H H 1 8.193 . . 1 . . . . . 111 N HN . 50077 1 301 . 1 . 1 65 65 ASN C C 13 175.051 . . 1 . . . . . 111 N C . 50077 1 302 . 1 . 1 65 65 ASN CA C 13 52.937 . . 1 . . . . . 111 N CA . 50077 1 303 . 1 . 1 65 65 ASN CB C 13 38.229 . . 1 . . . . . 111 N CB . 50077 1 304 . 1 . 1 65 65 ASN N N 15 118.59 . . 1 . . . . . 111 N N . 50077 1 305 . 1 . 1 66 66 SER H H 1 7.888 . . 1 . . . . . 112 S HN . 50077 1 306 . 1 . 1 66 66 SER N N 15 115.851 . . 1 . . . . . 112 S N . 50077 1 307 . 1 . 1 68 68 HIS C C 13 175.073 . . 1 . . . . . 114 H C . 50077 1 308 . 1 . 1 68 68 HIS CA C 13 56.014 . . 1 . . . . . 114 H CA . 50077 1 309 . 1 . 1 70 70 SER C C 13 174.092 . . 1 . . . . . 116 S C . 50077 1 310 . 1 . 1 70 70 SER CA C 13 57.933 . . 1 . . . . . 116 S CA . 50077 1 311 . 1 . 1 70 70 SER CB C 13 63.274 . . 1 . . . . . 116 S CB . 50077 1 312 . 1 . 1 71 71 LEU H H 1 7.907 . . 1 . . . . . 117 L HN . 50077 1 313 . 1 . 1 71 71 LEU C C 13 176.851 . . 1 . . . . . 117 L C . 50077 1 314 . 1 . 1 71 71 LEU CA C 13 54.695 . . 1 . . . . . 117 L CA . 50077 1 315 . 1 . 1 71 71 LEU CB C 13 41.789 . . 1 . . . . . 117 L CB . 50077 1 316 . 1 . 1 71 71 LEU N N 15 124.003 . . 1 . . . . . 117 L N . 50077 1 317 . 1 . 1 72 72 ARG H H 1 7.881 . . 1 . . . . . 118 R HN . 50077 1 318 . 1 . 1 72 72 ARG C C 13 175.882 . . 1 . . . . . 118 R C . 50077 1 319 . 1 . 1 72 72 ARG CA C 13 55.615 . . 1 . . . . . 118 R CA . 50077 1 320 . 1 . 1 72 72 ARG CB C 13 30.349 . . 1 . . . . . 118 R CB . 50077 1 321 . 1 . 1 72 72 ARG N N 15 121.388 . . 1 . . . . . 118 R N . 50077 1 322 . 1 . 1 73 73 THR H H 1 7.802 . . 1 . . . . . 119 T HN . 50077 1 323 . 1 . 1 73 73 THR C C 13 173.936 . . 1 . . . . . 119 T C . 50077 1 324 . 1 . 1 73 73 THR CA C 13 61.434 . . 1 . . . . . 119 T CA . 50077 1 325 . 1 . 1 73 73 THR CB C 13 69.376 . . 1 . . . . . 119 T CB . 50077 1 326 . 1 . 1 73 73 THR N N 15 115.911 . . 1 . . . . . 119 T N . 50077 1 327 . 1 . 1 74 74 VAL H H 1 7.785 . . 1 . . . . . 120 V HN . 50077 1 328 . 1 . 1 74 74 VAL C C 13 175.457 . . 1 . . . . . 120 V C . 50077 1 329 . 1 . 1 74 74 VAL CA C 13 61.696 . . 1 . . . . . 120 V CA . 50077 1 330 . 1 . 1 74 74 VAL CB C 13 32.401 . . 1 . . . . . 120 V CB . 50077 1 331 . 1 . 1 74 74 VAL N N 15 122.696 . . 1 . . . . . 120 V N . 50077 1 332 . 1 . 1 75 75 LYS H H 1 8.071 . . 1 . . . . . 121 K HN . 50077 1 333 . 1 . 1 75 75 LYS C C 13 176.222 . . 1 . . . . . 121 K C . 50077 1 334 . 1 . 1 75 75 LYS CA C 13 55.832 . . 1 . . . . . 121 K CA . 50077 1 335 . 1 . 1 75 75 LYS CB C 13 32.757 . . 1 . . . . . 121 K CB . 50077 1 336 . 1 . 1 75 75 LYS N N 15 125.406 . . 1 . . . . . 121 K N . 50077 1 337 . 1 . 1 76 76 THR H H 1 7.873 . . 1 . . . . . 122 T HN . 50077 1 338 . 1 . 1 76 76 THR C C 13 174.027 . . 1 . . . . . 122 T C . 50077 1 339 . 1 . 1 76 76 THR CA C 13 61.391 . . 1 . . . . . 122 T CA . 50077 1 340 . 1 . 1 76 76 THR CB C 13 69.563 . . 1 . . . . . 122 T CB . 50077 1 341 . 1 . 1 76 76 THR N N 15 115.588 . . 1 . . . . . 122 T N . 50077 1 342 . 1 . 1 77 77 LYS H H 1 7.947 . . 1 . . . . . 123 K HN . 50077 1 343 . 1 . 1 77 77 LYS C C 13 176.12 . . 1 . . . . . 123 K C . 50077 1 344 . 1 . 1 77 77 LYS CA C 13 56.14 . . 1 . . . . . 123 K CA . 50077 1 345 . 1 . 1 77 77 LYS CB C 13 32.542 . . 1 . . . . . 123 K CB . 50077 1 346 . 1 . 1 77 77 LYS N N 15 122.802 . . 1 . . . . . 123 K N . 50077 1 347 . 1 . 1 78 78 MET H H 1 8.013 . . 1 . . . . . 124 M HN . 50077 1 348 . 1 . 1 78 78 MET C C 13 175.615 . . 1 . . . . . 124 M C . 50077 1 349 . 1 . 1 78 78 MET CA C 13 55.114 . . 1 . . . . . 124 M CA . 50077 1 350 . 1 . 1 78 78 MET CB C 13 32.253 . . 1 . . . . . 124 M CB . 50077 1 351 . 1 . 1 78 78 MET N N 15 121.062 . . 1 . . . . . 124 M N . 50077 1 352 . 1 . 1 79 79 ASP H H 1 7.884 . . 1 . . . . . 125 D HN . 50077 1 353 . 1 . 1 79 79 ASP C C 13 175.595 . . 1 . . . . . 125 D C . 50077 1 354 . 1 . 1 79 79 ASP CA C 13 54.084 . . 1 . . . . . 125 D CA . 50077 1 355 . 1 . 1 79 79 ASP CB C 13 40.698 . . 1 . . . . . 125 D CB . 50077 1 356 . 1 . 1 79 79 ASP N N 15 120.8 . . 1 . . . . . 125 D N . 50077 1 357 . 1 . 1 80 80 GLN H H 1 7.835 . . 1 . . . . . 126 Q HN . 50077 1 358 . 1 . 1 80 80 GLN C C 13 175.238 . . 1 . . . . . 126 Q C . 50077 1 359 . 1 . 1 80 80 GLN CA C 13 55.318 . . 1 . . . . . 126 Q CA . 50077 1 360 . 1 . 1 80 80 GLN CB C 13 29.107 . . 1 . . . . . 126 Q CB . 50077 1 361 . 1 . 1 80 80 GLN N N 15 119.911 . . 1 . . . . . 126 Q N . 50077 1 362 . 1 . 1 81 81 ALA H H 1 7.969 . . 1 . . . . . 127 A HN . 50077 1 363 . 1 . 1 81 81 ALA C C 13 177.106 . . 1 . . . . . 127 A C . 50077 1 364 . 1 . 1 81 81 ALA CA C 13 52.245 . . 1 . . . . . 127 A CA . 50077 1 365 . 1 . 1 81 81 ALA CB C 13 18.743 . . 1 . . . . . 127 A CB . 50077 1 366 . 1 . 1 81 81 ALA N N 15 124.899 . . 1 . . . . . 127 A N . 50077 1 367 . 1 . 1 82 82 ASP H H 1 7.87 . . 1 . . . . . 128 D HN . 50077 1 368 . 1 . 1 82 82 ASP C C 13 175.511 . . 1 . . . . . 128 D C . 50077 1 369 . 1 . 1 82 82 ASP CA C 13 53.962 . . 1 . . . . . 128 D CA . 50077 1 370 . 1 . 1 82 82 ASP CB C 13 40.691 . . 1 . . . . . 128 D CB . 50077 1 371 . 1 . 1 82 82 ASP N N 15 118.982 . . 1 . . . . . 128 D N . 50077 1 372 . 1 . 1 83 83 ASP H H 1 7.811 . . 1 . . . . . 129 D HN . 50077 1 373 . 1 . 1 83 83 ASP C C 13 175.977 . . 1 . . . . . 129 D C . 50077 1 374 . 1 . 1 83 83 ASP CA C 13 53.794 . . 1 . . . . . 129 D CA . 50077 1 375 . 1 . 1 83 83 ASP CB C 13 40.617 . . 1 . . . . . 129 D CB . 50077 1 376 . 1 . 1 83 83 ASP N N 15 120.135 . . 1 . . . . . 129 D N . 50077 1 377 . 1 . 1 84 84 VAL H H 1 7.675 . . 1 . . . . . 130 V HN . 50077 1 378 . 1 . 1 84 84 VAL C C 13 175.888 . . 1 . . . . . 130 V C . 50077 1 379 . 1 . 1 84 84 VAL CA C 13 61.87 . . 1 . . . . . 130 V CA . 50077 1 380 . 1 . 1 84 84 VAL CB C 13 31.965 . . 1 . . . . . 130 V CB . 50077 1 381 . 1 . 1 84 84 VAL N N 15 119.749 . . 1 . . . . . 130 V N . 50077 1 382 . 1 . 1 85 85 SER H H 1 7.952 . . 1 . . . . . 131 S HN . 50077 1 383 . 1 . 1 85 85 SER C C 13 173.382 . . 1 . . . . . 131 S C . 50077 1 384 . 1 . 1 85 85 SER CA C 13 57.966 . . 1 . . . . . 131 S CA . 50077 1 385 . 1 . 1 85 85 SER CB C 13 63.388 . . 1 . . . . . 131 S CB . 50077 1 386 . 1 . 1 85 85 SER N N 15 118.944 . . 1 . . . . . 131 S N . 50077 1 387 . 1 . 1 86 86 ALA H H 1 7.784 . . 1 . . . . . 132 A HN . 50077 1 388 . 1 . 1 86 86 ALA C C 13 174.891 . . 1 . . . . . 132 A C . 50077 1 389 . 1 . 1 86 86 ALA CA C 13 50.412 . . 1 . . . . . 132 A CA . 50077 1 390 . 1 . 1 86 86 ALA CB C 13 17.623 . . 1 . . . . . 132 A CB . 50077 1 391 . 1 . 1 86 86 ALA N N 15 126.756 . . 1 . . . . . 132 A N . 50077 1 392 . 1 . 1 87 87 PRO C C 13 176.391 . . 1 . . . . . 133 P C . 50077 1 393 . 1 . 1 87 87 PRO CA C 13 62.62 . . 1 . . . . . 133 P CA . 50077 1 394 . 1 . 1 87 87 PRO CB C 13 31.572 . . 1 . . . . . 133 P CB . 50077 1 395 . 1 . 1 88 88 LEU H H 1 7.908 . . 1 . . . . . 134 L HN . 50077 1 396 . 1 . 1 88 88 LEU C C 13 177.032 . . 1 . . . . . 134 L C . 50077 1 397 . 1 . 1 88 88 LEU CA C 13 54.63 . . 1 . . . . . 134 L CA . 50077 1 398 . 1 . 1 88 88 LEU CB C 13 41.689 . . 1 . . . . . 134 L CB . 50077 1 399 . 1 . 1 88 88 LEU N N 15 121.749 . . 1 . . . . . 134 L N . 50077 1 400 . 1 . 1 89 89 LEU H H 1 7.825 . . 1 . . . . . 135 L HN . 50077 1 401 . 1 . 1 89 89 LEU C C 13 176.628 . . 1 . . . . . 135 L C . 50077 1 402 . 1 . 1 89 89 LEU CA C 13 54.537 . . 1 . . . . . 135 L CA . 50077 1 403 . 1 . 1 89 89 LEU CB C 13 41.821 . . 1 . . . . . 135 L CB . 50077 1 404 . 1 . 1 89 89 LEU N N 15 122.905 . . 1 . . . . . 135 L N . 50077 1 405 . 1 . 1 90 90 ASN H H 1 8.033 . . 1 . . . . . 136 N HN . 50077 1 406 . 1 . 1 90 90 ASN C C 13 175.011 . . 1 . . . . . 136 N C . 50077 1 407 . 1 . 1 90 90 ASN CA C 13 52.792 . . 1 . . . . . 136 N CA . 50077 1 408 . 1 . 1 90 90 ASN CB C 13 38.255 . . 1 . . . . . 136 N CB . 50077 1 409 . 1 . 1 90 90 ASN N N 15 119.329 . . 1 . . . . . 136 N N . 50077 1 410 . 1 . 1 91 91 SER H H 1 7.896 . . 1 . . . . . 137 S HN . 50077 1 411 . 1 . 1 91 91 SER C C 13 174.005 . . 1 . . . . . 137 S C . 50077 1 412 . 1 . 1 91 91 SER CA C 13 58.247 . . 1 . . . . . 137 S CA . 50077 1 413 . 1 . 1 91 91 SER CB C 13 63.201 . . 1 . . . . . 137 S CB . 50077 1 414 . 1 . 1 91 91 SER N N 15 116.434 . . 1 . . . . . 137 S N . 50077 1 415 . 1 . 1 92 92 ALA H H 1 7.888 . . 1 . . . . . 138 A HN . 50077 1 416 . 1 . 1 92 92 ALA C C 13 177.455 . . 1 . . . . . 138 A C . 50077 1 417 . 1 . 1 92 92 ALA CA C 13 52.25 . . 1 . . . . . 138 A CA . 50077 1 418 . 1 . 1 92 92 ALA CB C 13 18.585 . . 1 . . . . . 138 A CB . 50077 1 419 . 1 . 1 92 92 ALA N N 15 125.156 . . 1 . . . . . 138 A N . 50077 1 420 . 1 . 1 93 93 LEU H H 1 7.658 . . 1 . . . . . 139 L HN . 50077 1 421 . 1 . 1 93 93 LEU C C 13 177.113 . . 1 . . . . . 139 L C . 50077 1 422 . 1 . 1 93 93 LEU CA C 13 54.706 . . 1 . . . . . 139 L CA . 50077 1 423 . 1 . 1 93 93 LEU CB C 13 41.72 . . 1 . . . . . 139 L CB . 50077 1 424 . 1 . 1 93 93 LEU N N 15 120.132 . . 1 . . . . . 139 L N . 50077 1 425 . 1 . 1 94 94 SER H H 1 7.751 . . 1 . . . . . 140 S HN . 50077 1 426 . 1 . 1 94 94 SER C C 13 173.906 . . 1 . . . . . 140 S C . 50077 1 427 . 1 . 1 94 94 SER CA C 13 57.913 . . 1 . . . . . 140 S CA . 50077 1 428 . 1 . 1 94 94 SER CB C 13 63.324 . . 1 . . . . . 140 S CB . 50077 1 429 . 1 . 1 94 94 SER N N 15 115.784 . . 1 . . . . . 140 S N . 50077 1 430 . 1 . 1 95 95 GLU H H 1 7.925 . . 1 . . . . . 141 E HN . 50077 1 431 . 1 . 1 95 95 GLU C C 13 175.757 . . 1 . . . . . 141 E C . 50077 1 432 . 1 . 1 95 95 GLU CA C 13 55.802 . . 1 . . . . . 141 E CA . 50077 1 433 . 1 . 1 95 95 GLU CB C 13 30.016 . . 1 . . . . . 141 E CB . 50077 1 434 . 1 . 1 95 95 GLU N N 15 122.146 . . 1 . . . . . 141 E N . 50077 1 435 . 1 . 1 96 96 SER H H 1 7.955 . . 1 . . . . . 142 S HN . 50077 1 436 . 1 . 1 96 96 SER C C 13 172.129 . . 1 . . . . . 142 S C . 50077 1 437 . 1 . 1 96 96 SER CA C 13 55.967 . . 1 . . . . . 142 S CA . 50077 1 438 . 1 . 1 96 96 SER CB C 13 62.756 . . 1 . . . . . 142 S CB . 50077 1 439 . 1 . 1 96 96 SER N N 15 118.072 . . 1 . . . . . 142 S N . 50077 1 440 . 1 . 1 97 97 PRO C C 13 176.332 . . 1 . . . . . 143 P C . 50077 1 441 . 1 . 1 97 97 PRO CA C 13 62.69 . . 1 . . . . . 143 P CA . 50077 1 442 . 1 . 1 97 97 PRO CB C 13 31.507 . . 1 . . . . . 143 P CB . 50077 1 443 . 1 . 1 98 98 VAL H H 1 7.799 . . 1 . . . . . 144 V HN . 50077 1 444 . 1 . 1 98 98 VAL C C 13 175.77 . . 1 . . . . . 144 V C . 50077 1 445 . 1 . 1 98 98 VAL CA C 13 62.168 . . 1 . . . . . 144 V CA . 50077 1 446 . 1 . 1 98 98 VAL CB C 13 31.977 . . 1 . . . . . 144 V CB . 50077 1 447 . 1 . 1 98 98 VAL N N 15 120.771 . . 1 . . . . . 144 V N . 50077 1 448 . 1 . 1 99 99 VAL H H 1 7.844 . . 1 . . . . . 145 V HN . 50077 1 449 . 1 . 1 99 99 VAL C C 13 175.575 . . 1 . . . . . 145 V C . 50077 1 450 . 1 . 1 99 99 VAL CA C 13 61.802 . . 1 . . . . . 145 V CA . 50077 1 451 . 1 . 1 99 99 VAL CB C 13 32.239 . . 1 . . . . . 145 V CB . 50077 1 452 . 1 . 1 99 99 VAL N N 15 125.351 . . 1 . . . . . 145 V N . 50077 1 453 . 1 . 1 100 100 LEU H H 1 7.983 . . 1 . . . . . 146 L HN . 50077 1 454 . 1 . 1 100 100 LEU C C 13 176.719 . . 1 . . . . . 146 L C . 50077 1 455 . 1 . 1 100 100 LEU CA C 13 54.503 . . 1 . . . . . 146 L CA . 50077 1 456 . 1 . 1 100 100 LEU CB C 13 41.841 . . 1 . . . . . 146 L CB . 50077 1 457 . 1 . 1 100 100 LEU N N 15 126.719 . . 1 . . . . . 146 L N . 50077 1 458 . 1 . 1 101 101 GLN H H 1 7.971 . . 1 . . . . . 147 Q HN . 50077 1 459 . 1 . 1 101 101 GLN C C 13 175.175 . . 1 . . . . . 147 Q C . 50077 1 460 . 1 . 1 101 101 GLN CA C 13 55.117 . . 1 . . . . . 147 Q CA . 50077 1 461 . 1 . 1 101 101 GLN CB C 13 28.964 . . 1 . . . . . 147 Q CB . 50077 1 462 . 1 . 1 101 101 GLN N N 15 121.39 . . 1 . . . . . 147 Q N . 50077 1 463 . 1 . 1 102 102 ALA H H 1 7.985 . . 1 . . . . . 148 A HN . 50077 1 464 . 1 . 1 102 102 ALA C C 13 177.356 . . 1 . . . . . 148 A C . 50077 1 465 . 1 . 1 102 102 ALA CA C 13 52.121 . . 1 . . . . . 148 A CA . 50077 1 466 . 1 . 1 102 102 ALA CB C 13 18.753 . . 1 . . . . . 148 A CB . 50077 1 467 . 1 . 1 102 102 ALA N N 15 125.36 . . 1 . . . . . 148 A N . 50077 1 468 . 1 . 1 103 103 THR H H 1 7.711 . . 1 . . . . . 149 T HN . 50077 1 469 . 1 . 1 103 103 THR C C 13 173.767 . . 1 . . . . . 149 T C . 50077 1 470 . 1 . 1 103 103 THR CA C 13 61.405 . . 1 . . . . . 149 T CA . 50077 1 471 . 1 . 1 103 103 THR CB C 13 69.288 . . 1 . . . . . 149 T CB . 50077 1 472 . 1 . 1 103 103 THR N N 15 112.926 . . 1 . . . . . 149 T N . 50077 1 473 . 1 . 1 104 104 HIS H H 1 7.925 . . 1 . . . . . 150 H HN . 50077 1 474 . 1 . 1 104 104 HIS C C 13 174.322 . . 1 . . . . . 150 H C . 50077 1 475 . 1 . 1 104 104 HIS CA C 13 55.485 . . 1 . . . . . 150 H CA . 50077 1 476 . 1 . 1 104 104 HIS CB C 13 30.045 . . 1 . . . . . 150 H CB . 50077 1 477 . 1 . 1 104 104 HIS N N 15 121.428 . . 1 . . . . . 150 H N . 50077 1 478 . 1 . 1 105 105 VAL H H 1 7.733 . . 1 . . . . . 151 V HN . 50077 1 479 . 1 . 1 105 105 VAL C C 13 175.488 . . 1 . . . . . 151 V C . 50077 1 480 . 1 . 1 105 105 VAL CA C 13 61.522 . . 1 . . . . . 151 V CA . 50077 1 481 . 1 . 1 105 105 VAL CB C 13 32.399 . . 1 . . . . . 151 V CB . 50077 1 482 . 1 . 1 105 105 VAL N N 15 122.018 . . 1 . . . . . 151 V N . 50077 1 483 . 1 . 1 106 106 THR H H 1 7.972 . . 1 . . . . . 152 T HN . 50077 1 484 . 1 . 1 106 106 THR C C 13 172.192 . . 1 . . . . . 152 T C . 50077 1 485 . 1 . 1 106 106 THR CA C 13 59.483 . . 1 . . . . . 152 T CA . 50077 1 486 . 1 . 1 106 106 THR CB C 13 69.159 . . 1 . . . . . 152 T CB . 50077 1 487 . 1 . 1 106 106 THR N N 15 121.58 . . 1 . . . . . 152 T N . 50077 1 488 . 1 . 1 107 107 PRO C C 13 176.325 . . 1 . . . . . 153 P C . 50077 1 489 . 1 . 1 107 107 PRO CA C 13 62.664 . . 1 . . . . . 153 P CA . 50077 1 490 . 1 . 1 107 107 PRO CB C 13 31.702 . . 1 . . . . . 153 P CB . 50077 1 491 . 1 . 1 108 108 GLN H H 1 8.11 . . 1 . . . . . 154 Q HN . 50077 1 492 . 1 . 1 108 108 GLN C C 13 175.666 . . 1 . . . . . 154 Q C . 50077 1 493 . 1 . 1 108 108 GLN CA C 13 55.303 . . 1 . . . . . 154 Q CA . 50077 1 494 . 1 . 1 108 108 GLN CB C 13 28.944 . . 1 . . . . . 154 Q CB . 50077 1 495 . 1 . 1 108 108 GLN N N 15 120.898 . . 1 . . . . . 154 Q N . 50077 1 496 . 1 . 1 109 109 ARG H H 1 8.034 . . 1 . . . . . 155 R HN . 50077 1 497 . 1 . 1 109 109 ARG C C 13 175.48 . . 1 . . . . . 155 R C . 50077 1 498 . 1 . 1 109 109 ARG CA C 13 55.79 . . 1 . . . . . 155 R CA . 50077 1 499 . 1 . 1 109 109 ARG CB C 13 30.503 . . 1 . . . . . 155 R CB . 50077 1 500 . 1 . 1 109 109 ARG N N 15 122.464 . . 1 . . . . . 155 R N . 50077 1 501 . 1 . 1 110 110 ASP H H 1 7.982 . . 1 . . . . . 156 D HN . 50077 1 502 . 1 . 1 110 110 ASP C C 13 175.94 . . 1 . . . . . 156 D C . 50077 1 503 . 1 . 1 110 110 ASP CA C 13 53.824 . . 1 . . . . . 156 D CA . 50077 1 504 . 1 . 1 110 110 ASP CB C 13 40.691 . . 1 . . . . . 156 D CB . 50077 1 505 . 1 . 1 110 110 ASP N N 15 121.272 . . 1 . . . . . 156 D N . 50077 1 506 . 1 . 1 111 111 LYS H H 1 7.952 . . 1 . . . . . 157 K HN . 50077 1 507 . 1 . 1 111 111 LYS C C 13 176.293 . . 1 . . . . . 157 K C . 50077 1 508 . 1 . 1 111 111 LYS CA C 13 56.087 . . 1 . . . . . 157 K CA . 50077 1 509 . 1 . 1 111 111 LYS CB C 13 32.155 . . 1 . . . . . 157 K CB . 50077 1 510 . 1 . 1 111 111 LYS N N 15 121.955 . . 1 . . . . . 157 K N . 50077 1 511 . 1 . 1 112 112 SER H H 1 7.994 . . 1 . . . . . 158 S HN . 50077 1 512 . 1 . 1 112 112 SER C C 13 174.067 . . 1 . . . . . 158 S C . 50077 1 513 . 1 . 1 112 112 SER CA C 13 58.441 . . 1 . . . . . 158 S CA . 50077 1 514 . 1 . 1 112 112 SER CB C 13 63.244 . . 1 . . . . . 158 S CB . 50077 1 515 . 1 . 1 112 112 SER N N 15 116.644 . . 1 . . . . . 158 S N . 50077 1 516 . 1 . 1 113 113 VAL H H 1 7.623 . . 1 . . . . . 159 V HN . 50077 1 517 . 1 . 1 113 113 VAL C C 13 175.796 . . 1 . . . . . 159 V C . 50077 1 518 . 1 . 1 113 113 VAL CA C 13 61.896 . . 1 . . . . . 159 V CA . 50077 1 519 . 1 . 1 113 113 VAL CB C 13 32.221 . . 1 . . . . . 159 V CB . 50077 1 520 . 1 . 1 113 113 VAL N N 15 121.713 . . 1 . . . . . 159 V N . 50077 1 521 . 1 . 1 114 114 VAL H H 1 7.789 . . 1 . . . . . 160 V HN . 50077 1 522 . 1 . 1 114 114 VAL C C 13 175.591 . . 1 . . . . . 160 V C . 50077 1 523 . 1 . 1 114 114 VAL CA C 13 61.812 . . 1 . . . . . 160 V CA . 50077 1 524 . 1 . 1 114 114 VAL CB C 13 32.206 . . 1 . . . . . 160 V CB . 50077 1 525 . 1 . 1 114 114 VAL N N 15 124.202 . . 1 . . . . . 160 V N . 50077 1 526 . 1 . 1 115 115 ALA H H 1 8.041 . . 1 . . . . . 161 A HN . 50077 1 527 . 1 . 1 115 115 ALA C C 13 177.799 . . 1 . . . . . 161 A C . 50077 1 528 . 1 . 1 115 115 ALA CA C 13 52.434 . . 1 . . . . . 161 A CA . 50077 1 529 . 1 . 1 115 115 ALA CB C 13 18.61 . . 1 . . . . . 161 A CB . 50077 1 530 . 1 . 1 115 115 ALA N N 15 128.202 . . 1 . . . . . 161 A N . 50077 1 531 . 1 . 1 116 116 GLY H H 1 7.987 . . 1 . . . . . 162 G HN . 50077 1 532 . 1 . 1 116 116 GLY C C 13 173.825 . . 1 . . . . . 162 G C . 50077 1 533 . 1 . 1 116 116 GLY CA C 13 44.821 . . 1 . . . . . 162 G CA . 50077 1 534 . 1 . 1 116 116 GLY N N 15 108.188 . . 1 . . . . . 162 G N . 50077 1 535 . 1 . 1 117 117 SER H H 1 7.714 . . 1 . . . . . 163 S HN . 50077 1 536 . 1 . 1 117 117 SER C C 13 174.193 . . 1 . . . . . 163 S C . 50077 1 537 . 1 . 1 117 117 SER CA C 13 57.987 . . 1 . . . . . 163 S CA . 50077 1 538 . 1 . 1 117 117 SER CB C 13 63.423 . . 1 . . . . . 163 S CB . 50077 1 539 . 1 . 1 117 117 SER N N 15 114.927 . . 1 . . . . . 163 S N . 50077 1 540 . 1 . 1 118 118 LEU H H 1 7.815 . . 1 . . . . . 164 L HN . 50077 1 541 . 1 . 1 118 118 LEU C C 13 176.503 . . 1 . . . . . 164 L C . 50077 1 542 . 1 . 1 118 118 LEU CA C 13 54.801 . . 1 . . . . . 164 L CA . 50077 1 543 . 1 . 1 118 118 LEU CB C 13 41.619 . . 1 . . . . . 164 L CB . 50077 1 544 . 1 . 1 118 118 LEU N N 15 123.351 . . 1 . . . . . 164 L N . 50077 1 545 . 1 . 1 119 119 PHE H H 1 7.656 . . 1 . . . . . 165 F HN . 50077 1 546 . 1 . 1 119 119 PHE C C 13 174.779 . . 1 . . . . . 165 F C . 50077 1 547 . 1 . 1 119 119 PHE CA C 13 57.155 . . 1 . . . . . 165 F CA . 50077 1 548 . 1 . 1 119 119 PHE CB C 13 39.207 . . 1 . . . . . 165 F CB . 50077 1 549 . 1 . 1 119 119 PHE N N 15 119.651 . . 1 . . . . . 165 F N . 50077 1 550 . 1 . 1 120 120 HIS H H 1 7.719 . . 1 . . . . . 166 H HN . 50077 1 551 . 1 . 1 120 120 HIS C C 13 174.126 . . 1 . . . . . 166 H C . 50077 1 552 . 1 . 1 120 120 HIS CA C 13 55.123 . . 1 . . . . . 166 H CA . 50077 1 553 . 1 . 1 120 120 HIS CB C 13 30.245 . . 1 . . . . . 166 H CB . 50077 1 554 . 1 . 1 120 120 HIS N N 15 120.713 . . 1 . . . . . 166 H N . 50077 1 555 . 1 . 1 121 121 THR H H 1 7.718 . . 1 . . . . . 167 T HN . 50077 1 556 . 1 . 1 121 121 THR C C 13 172.065 . . 1 . . . . . 167 T C . 50077 1 557 . 1 . 1 121 121 THR CA C 13 59.47 . . 1 . . . . . 167 T CA . 50077 1 558 . 1 . 1 121 121 THR CB C 13 69.177 . . 1 . . . . . 167 T CB . 50077 1 559 . 1 . 1 121 121 THR N N 15 118.573 . . 1 . . . . . 167 T N . 50077 1 560 . 1 . 1 122 122 PRO C C 13 176.054 . . 1 . . . . . 168 P C . 50077 1 561 . 1 . 1 122 122 PRO CA C 13 62.686 . . 1 . . . . . 168 P CA . 50077 1 562 . 1 . 1 122 122 PRO CB C 13 31.887 . . 1 . . . . . 168 P CB . 50077 1 563 . 1 . 1 123 123 LYS H H 1 7.931 . . 1 . . . . . 169 K HN . 50077 1 564 . 1 . 1 123 123 LYS C C 13 175.676 . . 1 . . . . . 169 K C . 50077 1 565 . 1 . 1 123 123 LYS CA C 13 55.941 . . 1 . . . . . 169 K CA . 50077 1 566 . 1 . 1 123 123 LYS CB C 13 32.618 . . 1 . . . . . 169 K CB . 50077 1 567 . 1 . 1 123 123 LYS N N 15 121.047 . . 1 . . . . . 169 K N . 50077 1 568 . 1 . 1 124 124 PHE H H 1 7.811 . . 1 . . . . . 170 F HN . 50077 1 569 . 1 . 1 124 124 PHE C C 13 174.817 . . 1 . . . . . 170 F C . 50077 1 570 . 1 . 1 124 124 PHE CA C 13 57.095 . . 1 . . . . . 170 F CA . 50077 1 571 . 1 . 1 124 124 PHE CB C 13 39.332 . . 1 . . . . . 170 F CB . 50077 1 572 . 1 . 1 124 124 PHE N N 15 121.128 . . 1 . . . . . 170 F N . 50077 1 573 . 1 . 1 125 125 VAL H H 1 7.673 . . 1 . . . . . 171 V HN . 50077 1 574 . 1 . 1 125 125 VAL C C 13 174.998 . . 1 . . . . . 171 V C . 50077 1 575 . 1 . 1 125 125 VAL CA C 13 61.449 . . 1 . . . . . 171 V CA . 50077 1 576 . 1 . 1 125 125 VAL CB C 13 32.748 . . 1 . . . . . 171 V CB . 50077 1 577 . 1 . 1 125 125 VAL N N 15 123.544 . . 1 . . . . . 171 V N . 50077 1 578 . 1 . 1 126 126 LYS H H 1 7.992 . . 1 . . . . . 172 K HN . 50077 1 579 . 1 . 1 126 126 LYS C C 13 176.521 . . 1 . . . . . 172 K C . 50077 1 580 . 1 . 1 126 126 LYS CA C 13 56.385 . . 1 . . . . . 172 K CA . 50077 1 581 . 1 . 1 126 126 LYS CB C 13 32.455 . . 1 . . . . . 172 K CB . 50077 1 582 . 1 . 1 126 126 LYS N N 15 125.625 . . 1 . . . . . 172 K N . 50077 1 583 . 1 . 1 127 127 GLY H H 1 8.069 . . 1 . . . . . 173 G HN . 50077 1 584 . 1 . 1 127 127 GLY C C 13 173.444 . . 1 . . . . . 173 G C . 50077 1 585 . 1 . 1 127 127 GLY CA C 13 44.662 . . 1 . . . . . 173 G CA . 50077 1 586 . 1 . 1 127 127 GLY N N 15 110.242 . . 1 . . . . . 173 G N . 50077 1 587 . 1 . 1 128 128 ARG H H 1 7.76 . . 1 . . . . . 174 R HN . 50077 1 588 . 1 . 1 128 128 ARG C C 13 175.848 . . 1 . . . . . 174 R C . 50077 1 589 . 1 . 1 128 128 ARG CA C 13 55.536 . . 1 . . . . . 174 R CA . 50077 1 590 . 1 . 1 128 128 ARG CB C 13 30.501 . . 1 . . . . . 174 R CB . 50077 1 591 . 1 . 1 128 128 ARG N N 15 120.272 . . 1 . . . . . 174 R N . 50077 1 592 . 1 . 1 129 129 GLN H H 1 8.159 . . 1 . . . . . 175 Q HN . 50077 1 593 . 1 . 1 129 129 GLN C C 13 175.369 . . 1 . . . . . 175 Q C . 50077 1 594 . 1 . 1 129 129 GLN CA C 13 55.046 . . 1 . . . . . 175 Q CA . 50077 1 595 . 1 . 1 129 129 GLN CB C 13 29.099 . . 1 . . . . . 175 Q CB . 50077 1 596 . 1 . 1 129 129 GLN N N 15 121.902 . . 1 . . . . . 175 Q N . 50077 1 597 . 1 . 1 130 130 THR H H 1 7.92 . . 1 . . . . . 176 T HN . 50077 1 598 . 1 . 1 130 130 THR C C 13 172.292 . . 1 . . . . . 176 T C . 50077 1 599 . 1 . 1 130 130 THR CA C 13 59.587 . . 1 . . . . . 176 T CA . 50077 1 600 . 1 . 1 130 130 THR CB C 13 69.046 . . 1 . . . . . 176 T CB . 50077 1 601 . 1 . 1 130 130 THR N N 15 118.567 . . 1 . . . . . 176 T N . 50077 1 602 . 1 . 1 131 131 PRO C C 13 176.349 . . 1 . . . . . 177 P C . 50077 1 603 . 1 . 1 131 131 PRO CA C 13 62.74 . . 1 . . . . . 177 P CA . 50077 1 604 . 1 . 1 131 131 PRO CB C 13 31.703 . . 1 . . . . . 177 P CB . 50077 1 605 . 1 . 1 132 132 LYS H H 1 8.016 . . 1 . . . . . 178 K HN . 50077 1 606 . 1 . 1 132 132 LYS C C 13 175.957 . . 1 . . . . . 178 K C . 50077 1 607 . 1 . 1 132 132 LYS CA C 13 56.197 . . 1 . . . . . 178 K CA . 50077 1 608 . 1 . 1 132 132 LYS CB C 13 32.397 . . 1 . . . . . 178 K CB . 50077 1 609 . 1 . 1 132 132 LYS N N 15 121.382 . . 1 . . . . . 178 K N . 50077 1 610 . 1 . 1 133 133 HIS H H 1 7.941 . . 1 . . . . . 179 H HN . 50077 1 611 . 1 . 1 133 133 HIS C C 13 174.937 . . 1 . . . . . 179 H C . 50077 1 612 . 1 . 1 133 133 HIS CA C 13 55.88 . . 1 . . . . . 179 H CA . 50077 1 613 . 1 . 1 133 133 HIS CB C 13 29.975 . . 1 . . . . . 179 H CB . 50077 1 614 . 1 . 1 133 133 HIS N N 15 119.884 . . 1 . . . . . 179 H N . 50077 1 615 . 1 . 1 134 134 ILE H H 1 7.631 . . 1 . . . . . 180 I HN . 50077 1 616 . 1 . 1 134 134 ILE C C 13 175.755 . . 1 . . . . . 180 I C . 50077 1 617 . 1 . 1 134 134 ILE CA C 13 60.97 . . 1 . . . . . 180 I CA . 50077 1 618 . 1 . 1 134 134 ILE CB C 13 38.066 . . 1 . . . . . 180 I CB . 50077 1 619 . 1 . 1 134 134 ILE N N 15 122.998 . . 1 . . . . . 180 I N . 50077 1 620 . 1 . 1 135 135 SER H H 1 8.04 . . 1 . . . . . 181 S HN . 50077 1 621 . 1 . 1 135 135 SER C C 13 174.402 . . 1 . . . . . 181 S C . 50077 1 622 . 1 . 1 135 135 SER CA C 13 58.274 . . 1 . . . . . 181 S CA . 50077 1 623 . 1 . 1 135 135 SER CB C 13 63.158 . . 1 . . . . . 181 S CB . 50077 1 624 . 1 . 1 135 135 SER N N 15 119.007 . . 1 . . . . . 181 S N . 50077 1 625 . 1 . 1 136 136 GLU H H 1 8.049 . . 1 . . . . . 182 E HN . 50077 1 626 . 1 . 1 136 136 GLU C C 13 176.106 . . 1 . . . . . 182 E C . 50077 1 627 . 1 . 1 136 136 GLU CA C 13 56.447 . . 1 . . . . . 182 E CA . 50077 1 628 . 1 . 1 136 136 GLU CB C 13 29.703 . . 1 . . . . . 182 E CB . 50077 1 629 . 1 . 1 136 136 GLU N N 15 122.554 . . 1 . . . . . 182 E N . 50077 1 630 . 1 . 1 137 137 SER H H 1 7.812 . . 1 . . . . . 183 S HN . 50077 1 631 . 1 . 1 137 137 SER C C 13 174.164 . . 1 . . . . . 183 S C . 50077 1 632 . 1 . 1 137 137 SER CA C 13 57.969 . . 1 . . . . . 183 S CA . 50077 1 633 . 1 . 1 137 137 SER CB C 13 63.249 . . 1 . . . . . 183 S CB . 50077 1 634 . 1 . 1 137 137 SER N N 15 115.75 . . 1 . . . . . 183 S N . 50077 1 635 . 1 . 1 138 138 LEU H H 1 7.861 . . 1 . . . . . 184 L HN . 50077 1 636 . 1 . 1 138 138 LEU C C 13 177.469 . . 1 . . . . . 184 L C . 50077 1 637 . 1 . 1 138 138 LEU CA C 13 54.942 . . 1 . . . . . 184 L CA . 50077 1 638 . 1 . 1 138 138 LEU CB C 13 41.7 . . 1 . . . . . 184 L CB . 50077 1 639 . 1 . 1 138 138 LEU N N 15 123.733 . . 1 . . . . . 184 L N . 50077 1 640 . 1 . 1 139 139 GLY H H 1 7.971 . . 1 . . . . . 185 G HN . 50077 1 641 . 1 . 1 139 139 GLY C C 13 173.299 . . 1 . . . . . 185 G C . 50077 1 642 . 1 . 1 139 139 GLY CA C 13 44.795 . . 1 . . . . . 185 G CA . 50077 1 643 . 1 . 1 139 139 GLY N N 15 109.338 . . 1 . . . . . 185 G N . 50077 1 644 . 1 . 1 140 140 ALA H H 1 7.683 . . 1 . . . . . 186 A HN . 50077 1 645 . 1 . 1 140 140 ALA C C 13 177.237 . . 1 . . . . . 186 A C . 50077 1 646 . 1 . 1 140 140 ALA CA C 13 51.946 . . 1 . . . . . 186 A CA . 50077 1 647 . 1 . 1 140 140 ALA CB C 13 18.968 . . 1 . . . . . 186 A CB . 50077 1 648 . 1 . 1 140 140 ALA N N 15 123.045 . . 1 . . . . . 186 A N . 50077 1 649 . 1 . 1 141 141 GLU H H 1 8.054 . . 1 . . . . . 187 E HN . 50077 1 650 . 1 . 1 141 141 GLU C C 13 175.902 . . 1 . . . . . 187 E C . 50077 1 651 . 1 . 1 141 141 GLU CA C 13 56.053 . . 1 . . . . . 187 E CA . 50077 1 652 . 1 . 1 141 141 GLU CB C 13 29.668 . . 1 . . . . . 187 E CB . 50077 1 653 . 1 . 1 141 141 GLU N N 15 119.731 . . 1 . . . . . 187 E N . 50077 1 654 . 1 . 1 142 142 VAL H H 1 7.697 . . 1 . . . . . 188 V HN . 50077 1 655 . 1 . 1 142 142 VAL C C 13 175.046 . . 1 . . . . . 188 V C . 50077 1 656 . 1 . 1 142 142 VAL CA C 13 61.371 . . 1 . . . . . 188 V CA . 50077 1 657 . 1 . 1 142 142 VAL CB C 13 32.619 . . 1 . . . . . 188 V CB . 50077 1 658 . 1 . 1 142 142 VAL N N 15 120.581 . . 1 . . . . . 188 V N . 50077 1 659 . 1 . 1 143 143 ASP H H 1 8.044 . . 1 . . . . . 189 D HN . 50077 1 660 . 1 . 1 143 143 ASP C C 13 174.385 . . 1 . . . . . 189 D C . 50077 1 661 . 1 . 1 143 143 ASP CA C 13 51.679 . . 1 . . . . . 189 D CA . 50077 1 662 . 1 . 1 143 143 ASP CB C 13 40.711 . . 1 . . . . . 189 D CB . 50077 1 663 . 1 . 1 143 143 ASP N N 15 125.481 . . 1 . . . . . 189 D N . 50077 1 664 . 1 . 1 144 144 PRO C C 13 176.48 . . 1 . . . . . 190 P C . 50077 1 665 . 1 . 1 144 144 PRO CA C 13 63.144 . . 1 . . . . . 190 P CA . 50077 1 666 . 1 . 1 144 144 PRO CB C 13 31.773 . . 1 . . . . . 190 P CB . 50077 1 667 . 1 . 1 145 145 ASP H H 1 7.938 . . 1 . . . . . 191 D HN . 50077 1 668 . 1 . 1 145 145 ASP C C 13 176.201 . . 1 . . . . . 191 D C . 50077 1 669 . 1 . 1 145 145 ASP CA C 13 54.188 . . 1 . . . . . 191 D CA . 50077 1 670 . 1 . 1 145 145 ASP CB C 13 40.429 . . 1 . . . . . 191 D CB . 50077 1 671 . 1 . 1 145 145 ASP N N 15 118.857 . . 1 . . . . . 191 D N . 50077 1 672 . 1 . 1 146 146 MET H H 1 7.678 . . 1 . . . . . 192 M HN . 50077 1 673 . 1 . 1 146 146 MET C C 13 176.278 . . 1 . . . . . 192 M C . 50077 1 674 . 1 . 1 146 146 MET CA C 13 54.856 . . 1 . . . . . 192 M CA . 50077 1 675 . 1 . 1 146 146 MET CB C 13 31.612 . . 1 . . . . . 192 M CB . 50077 1 676 . 1 . 1 146 146 MET N N 15 120.568 . . 1 . . . . . 192 M N . 50077 1 677 . 1 . 1 147 147 SER H H 1 7.88 . . 1 . . . . . 193 S HN . 50077 1 678 . 1 . 1 147 147 SER C C 13 174.196 . . 1 . . . . . 193 S C . 50077 1 679 . 1 . 1 147 147 SER CA C 13 58.81 . . 1 . . . . . 193 S CA . 50077 1 680 . 1 . 1 147 147 SER CB C 13 63.09 . . 1 . . . . . 193 S CB . 50077 1 681 . 1 . 1 147 147 SER N N 15 116.647 . . 1 . . . . . 193 S N . 50077 1 682 . 1 . 1 148 148 TRP H H 1 7.638 . . 1 . . . . . 194 W HN . 50077 1 683 . 1 . 1 148 148 TRP C C 13 176.056 . . 1 . . . . . 194 W C . 50077 1 684 . 1 . 1 148 148 TRP CA C 13 57.184 . . 1 . . . . . 194 W CA . 50077 1 685 . 1 . 1 148 148 TRP CB C 13 28.875 . . 1 . . . . . 194 W CB . 50077 1 686 . 1 . 1 148 148 TRP N N 15 122.216 . . 1 . . . . . 194 W N . 50077 1 687 . 1 . 1 149 149 SER H H 1 7.406 . . 1 . . . . . 195 S HN . 50077 1 688 . 1 . 1 149 149 SER C C 13 174.158 . . 1 . . . . . 195 S C . 50077 1 689 . 1 . 1 149 149 SER CA C 13 57.965 . . 1 . . . . . 195 S CA . 50077 1 690 . 1 . 1 149 149 SER CB C 13 63.201 . . 1 . . . . . 195 S CB . 50077 1 691 . 1 . 1 149 149 SER N N 15 116.435 . . 1 . . . . . 195 S N . 50077 1 692 . 1 . 1 150 150 SER H H 1 7.739 . . 1 . . . . . 196 S HN . 50077 1 693 . 1 . 1 150 150 SER C C 13 174.373 . . 1 . . . . . 196 S C . 50077 1 694 . 1 . 1 150 150 SER CA C 13 58.315 . . 1 . . . . . 196 S CA . 50077 1 695 . 1 . 1 150 150 SER CB C 13 63.201 . . 1 . . . . . 196 S CB . 50077 1 696 . 1 . 1 150 150 SER N N 15 117.363 . . 1 . . . . . 196 S N . 50077 1 697 . 1 . 1 151 151 SER H H 1 7.785 . . 1 . . . . . 197 S HN . 50077 1 698 . 1 . 1 151 151 SER C C 13 174.002 . . 1 . . . . . 197 S C . 50077 1 699 . 1 . 1 151 151 SER CA C 13 58.238 . . 1 . . . . . 197 S CA . 50077 1 700 . 1 . 1 151 151 SER CB C 13 63.195 . . 1 . . . . . 197 S CB . 50077 1 701 . 1 . 1 151 151 SER N N 15 117.233 . . 1 . . . . . 197 S N . 50077 1 702 . 1 . 1 152 152 LEU H H 1 7.599 . . 1 . . . . . 198 L HN . 50077 1 703 . 1 . 1 152 152 LEU C C 13 176.555 . . 1 . . . . . 198 L C . 50077 1 704 . 1 . 1 152 152 LEU CA C 13 54.596 . . 1 . . . . . 198 L CA . 50077 1 705 . 1 . 1 152 152 LEU CB C 13 41.749 . . 1 . . . . . 198 L CB . 50077 1 706 . 1 . 1 152 152 LEU N N 15 123.042 . . 1 . . . . . 198 L N . 50077 1 707 . 1 . 1 153 153 ALA H H 1 7.728 . . 1 . . . . . 199 A HN . 50077 1 708 . 1 . 1 153 153 ALA C C 13 177.076 . . 1 . . . . . 199 A C . 50077 1 709 . 1 . 1 153 153 ALA CA C 13 51.873 . . 1 . . . . . 199 A CA . 50077 1 710 . 1 . 1 153 153 ALA CB C 13 18.733 . . 1 . . . . . 199 A CB . 50077 1 711 . 1 . 1 153 153 ALA N N 15 124.08 . . 1 . . . . . 199 A N . 50077 1 712 . 1 . 1 154 154 THR H H 1 7.696 . . 1 . . . . . 200 T HN . 50077 1 713 . 1 . 1 154 154 THR C C 13 171.881 . . 1 . . . . . 200 T C . 50077 1 714 . 1 . 1 154 154 THR CA C 13 59.3 . . 1 . . . . . 200 T CA . 50077 1 715 . 1 . 1 154 154 THR CB C 13 69.251 . . 1 . . . . . 200 T CB . 50077 1 716 . 1 . 1 154 154 THR N N 15 116.187 . . 1 . . . . . 200 T N . 50077 1 717 . 1 . 1 155 155 PRO C C 13 174.316 . . 1 . . . . . 201 P C . 50077 1 718 . 1 . 1 156 156 PRO C C 13 176.484 . . 1 . . . . . 202 P C . 50077 1 719 . 1 . 1 156 156 PRO CA C 13 62.491 . . 1 . . . . . 202 P CA . 50077 1 720 . 1 . 1 156 156 PRO CB C 13 31.627 . . 1 . . . . . 202 P CB . 50077 1 721 . 1 . 1 157 157 THR H H 1 7.845 . . 1 . . . . . 203 T HN . 50077 1 722 . 1 . 1 157 157 THR C C 13 174.163 . . 1 . . . . . 203 T C . 50077 1 723 . 1 . 1 157 157 THR CA C 13 61.433 . . 1 . . . . . 203 T CA . 50077 1 724 . 1 . 1 157 157 THR CB C 13 69.381 . . 1 . . . . . 203 T CB . 50077 1 725 . 1 . 1 157 157 THR N N 15 114.655 . . 1 . . . . . 203 T N . 50077 1 726 . 1 . 1 158 158 LEU H H 1 7.962 . . 1 . . . . . 204 L HN . 50077 1 727 . 1 . 1 158 158 LEU C C 13 176.953 . . 1 . . . . . 204 L C . 50077 1 728 . 1 . 1 158 158 LEU CA C 13 54.654 . . 1 . . . . . 204 L CA . 50077 1 729 . 1 . 1 158 158 LEU CB C 13 41.934 . . 1 . . . . . 204 L CB . 50077 1 730 . 1 . 1 158 158 LEU N N 15 124.851 . . 1 . . . . . 204 L N . 50077 1 731 . 1 . 1 159 159 SER H H 1 7.96 . . 1 . . . . . 205 S HN . 50077 1 732 . 1 . 1 159 159 SER C C 13 174.176 . . 1 . . . . . 205 S C . 50077 1 733 . 1 . 1 159 159 SER CA C 13 57.92 . . 1 . . . . . 205 S CA . 50077 1 734 . 1 . 1 159 159 SER CB C 13 63.275 . . 1 . . . . . 205 S CB . 50077 1 735 . 1 . 1 159 159 SER N N 15 116.605 . . 1 . . . . . 205 S N . 50077 1 736 . 1 . 1 160 160 SER H H 1 7.943 . . 1 . . . . . 206 S HN . 50077 1 737 . 1 . 1 160 160 SER C C 13 174.293 . . 1 . . . . . 206 S C . 50077 1 738 . 1 . 1 160 160 SER CA C 13 57.963 . . 1 . . . . . 206 S CA . 50077 1 739 . 1 . 1 160 160 SER CB C 13 63.293 . . 1 . . . . . 206 S CB . 50077 1 740 . 1 . 1 160 160 SER N N 15 117.442 . . 1 . . . . . 206 S N . 50077 1 741 . 1 . 1 161 161 THR H H 1 7.772 . . 1 . . . . . 207 T HN . 50077 1 742 . 1 . 1 161 161 THR C C 13 173.888 . . 1 . . . . . 207 T C . 50077 1 743 . 1 . 1 161 161 THR CA C 13 61.725 . . 1 . . . . . 207 T CA . 50077 1 744 . 1 . 1 161 161 THR CB C 13 69.152 . . 1 . . . . . 207 T CB . 50077 1 745 . 1 . 1 161 161 THR N N 15 116.232 . . 1 . . . . . 207 T N . 50077 1 746 . 1 . 1 162 162 VAL H H 1 7.664 . . 1 . . . . . 208 V HN . 50077 1 747 . 1 . 1 162 162 VAL C C 13 175.188 . . 1 . . . . . 208 V C . 50077 1 748 . 1 . 1 162 162 VAL CA C 13 61.902 . . 1 . . . . . 208 V CA . 50077 1 749 . 1 . 1 162 162 VAL CB C 13 32.172 . . 1 . . . . . 208 V CB . 50077 1 750 . 1 . 1 162 162 VAL N N 15 123.077 . . 1 . . . . . 208 V N . 50077 1 751 . 1 . 1 163 163 LEU H H 1 7.891 . . 1 . . . . . 209 L HN . 50077 1 752 . 1 . 1 163 163 LEU C C 13 176.221 . . 1 . . . . . 209 L C . 50077 1 753 . 1 . 1 163 163 LEU CA C 13 54.466 . . 1 . . . . . 209 L CA . 50077 1 754 . 1 . 1 163 163 LEU CB C 13 41.806 . . 1 . . . . . 209 L CB . 50077 1 755 . 1 . 1 163 163 LEU N N 15 126.649 . . 1 . . . . . 209 L N . 50077 1 756 . 1 . 1 164 164 ILE H H 1 7.796 . . 1 . . . . . 210 I HN . 50077 1 757 . 1 . 1 164 164 ILE C C 13 175.457 . . 1 . . . . . 210 I C . 50077 1 758 . 1 . 1 164 164 ILE CA C 13 60.229 . . 1 . . . . . 210 I CA . 50077 1 759 . 1 . 1 164 164 ILE CB C 13 38.011 . . 1 . . . . . 210 I CB . 50077 1 760 . 1 . 1 164 164 ILE N N 15 123.816 . . 1 . . . . . 210 I N . 50077 1 761 . 1 . 1 165 165 VAL H H 1 7.936 . . 1 . . . . . 211 V HN . 50077 1 762 . 1 . 1 165 165 VAL C C 13 175.293 . . 1 . . . . . 211 V C . 50077 1 763 . 1 . 1 165 165 VAL CA C 13 61.733 . . 1 . . . . . 211 V CA . 50077 1 764 . 1 . 1 165 165 VAL CB C 13 32.303 . . 1 . . . . . 211 V CB . 50077 1 765 . 1 . 1 165 165 VAL N N 15 126.307 . . 1 . . . . . 211 V N . 50077 1 766 . 1 . 1 166 166 ARG H H 1 8.116 . . 1 . . . . . 212 R HN . 50077 1 767 . 1 . 1 166 166 ARG C C 13 175.21 . . 1 . . . . . 212 R C . 50077 1 768 . 1 . 1 166 166 ARG CA C 13 55.236 . . 1 . . . . . 212 R CA . 50077 1 769 . 1 . 1 166 166 ARG CB C 13 30.612 . . 1 . . . . . 212 R CB . 50077 1 770 . 1 . 1 166 166 ARG N N 15 125.892 . . 1 . . . . . 212 R N . 50077 1 771 . 1 . 1 167 167 ASN H H 1 8.189 . . 1 . . . . . 213 N HN . 50077 1 772 . 1 . 1 167 167 ASN C C 13 174.813 . . 1 . . . . . 213 N C . 50077 1 773 . 1 . 1 167 167 ASN CA C 13 52.801 . . 1 . . . . . 213 N CA . 50077 1 774 . 1 . 1 167 167 ASN CB C 13 38.435 . . 1 . . . . . 213 N CB . 50077 1 775 . 1 . 1 167 167 ASN N N 15 121.062 . . 1 . . . . . 213 N N . 50077 1 776 . 1 . 1 168 168 GLU H H 1 8.197 . . 1 . . . . . 214 E HN . 50077 1 777 . 1 . 1 168 168 GLU C C 13 175.986 . . 1 . . . . . 214 E C . 50077 1 778 . 1 . 1 168 168 GLU CA C 13 56.309 . . 1 . . . . . 214 E CA . 50077 1 779 . 1 . 1 168 168 GLU CB C 13 29.667 . . 1 . . . . . 214 E CB . 50077 1 780 . 1 . 1 168 168 GLU N N 15 121.472 . . 1 . . . . . 214 E N . 50077 1 781 . 1 . 1 169 169 GLU H H 1 7.971 . . 1 . . . . . 215 E HN . 50077 1 782 . 1 . 1 169 169 GLU C C 13 175.68 . . 1 . . . . . 215 E C . 50077 1 783 . 1 . 1 169 169 GLU CA C 13 55.952 . . 1 . . . . . 215 E CA . 50077 1 784 . 1 . 1 169 169 GLU CB C 13 29.764 . . 1 . . . . . 215 E CB . 50077 1 785 . 1 . 1 169 169 GLU N N 15 121.083 . . 1 . . . . . 215 E N . 50077 1 786 . 1 . 1 170 170 ALA H H 1 7.877 . . 1 . . . . . 216 A HN . 50077 1 787 . 1 . 1 170 170 ALA C C 13 177.105 . . 1 . . . . . 216 A C . 50077 1 788 . 1 . 1 170 170 ALA CA C 13 51.881 . . 1 . . . . . 216 A CA . 50077 1 789 . 1 . 1 170 170 ALA CB C 13 18.993 . . 1 . . . . . 216 A CB . 50077 1 790 . 1 . 1 170 170 ALA N N 15 124.813 . . 1 . . . . . 216 A N . 50077 1 791 . 1 . 1 171 171 SER H H 1 7.961 . . 1 . . . . . 217 S HN . 50077 1 792 . 1 . 1 171 171 SER C C 13 173.222 . . 1 . . . . . 217 S C . 50077 1 793 . 1 . 1 171 171 SER CA C 13 57.84 . . 1 . . . . . 217 S CA . 50077 1 794 . 1 . 1 171 171 SER CB C 13 63.574 . . 1 . . . . . 217 S CB . 50077 1 795 . 1 . 1 171 171 SER N N 15 115.787 . . 1 . . . . . 217 S N . 50077 1 796 . 1 . 1 172 172 GLU H H 1 7.615 . . 1 . . . . . 218 E HN . 50077 1 797 . 1 . 1 172 172 GLU C C 13 171.589 . . 1 . . . . . 218 E C . 50077 1 798 . 1 . 1 172 172 GLU CA C 13 57.567 . . 1 . . . . . 218 E CA . 50077 1 799 . 1 . 1 172 172 GLU CB C 13 30.602 . . 1 . . . . . 218 E CB . 50077 1 800 . 1 . 1 172 172 GLU N N 15 127.01 . . 1 . . . . . 218 E N . 50077 1 stop_ save_