data_51533 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51533 _Entry.Title ; Sequential NMR assignment of human protein DPCD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-26 _Entry.Accession_date 2022-07-26 _Entry.Last_release_date 2022-07-26 _Entry.Original_release_date 2022-07-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H, 15N and 13C resonance assignments of protein Deleted in a mouse model of Primary Ciliary Cyskinesia (DPCD).' _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 Cedric Schelcher . . . . 51533 2 Nelly Morellet . . . . 51533 3 Marc Quinternet . . . . 51533 4 Xavier Manival . . . . 51533 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51533 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 51533 '15N chemical shifts' 157 51533 '1H chemical shifts' 157 51533 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 . . 2022-11-07 2022-07-26 update BMRB 'update entry citation' 51533 1 . . 2022-08-02 2022-07-26 original author 'original release' 51533 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51533 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35901867 _Citation.DOI 10.1016/j.jmb.2022.167760 _Citation.Full_citation . _Citation.Title ; Deciphering cellular and molecular determinants of human DPCD protein in complex with RUVBL1/RUVBL2 AAA-ATPases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 434 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167760 _Citation.Page_last 167760 _Citation.Year 2022 _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 'Raphael Dos Santos' Morais . . . . 51533 1 2 'Paulo Espirito' Santo . . . . 51533 1 3 Marie Ley . . . . 51533 1 4 Cedric Schelcher . . . . 51533 1 5 Yoann Abel . . . . 51533 1 6 Laura Plassart . . . . 51533 1 7 Evolene Desligniere . . . . 51533 1 8 Marie-Eve Chagot . . . . 51533 1 9 Marc Quinternet . . . . 51533 1 10 'Ana C.F.' Paiva . . . . 51533 1 11 Steve Hessmann . . . . 51533 1 12 Nelly Morellet . . . . 51533 1 13 'Pedro M. F.' Sousa . . . . 51533 1 14 Franck Vandermoere . . . . 51533 1 15 Edouard Bertrand . . . . 51533 1 16 Bruno Charpentier . . . . 51533 1 17 'Tiago M.' Bandeiras . . . . 51533 1 18 Celia Plisson-Chastang . . . . 51533 1 19 Celine Verheggen . . . . 51533 1 20 Sarah Cianferani . . . . 51533 1 21 Xavier Manival . . . . 51533 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DPCD 51533 1 RUVBL1/RUVBL2 51533 1 SAXS 51533 1 SILAC-IP 51533 1 'structural MS' 51533 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51533 _Assembly.ID 1 _Assembly.Name DPCD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23531 _Assembly.Enzyme_commission_number . _Assembly.Details 'a single chain (A)' _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 DPCD 1 $entity_1 . . yes native yes yes . . . 51533 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'Intermediate exchange' 51533 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'May play a role in the formation or function of ciliated cells' 51533 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51533 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMAVTGWLESLRTAQKTA LLQDGRRKVHYLFPDGKEMA EEYDEKTSELLVRKWRVKSA LGAMGQWQLEVGDPAPLGAG NLGPELIKESNANPIFMRKD TKMSFQWRIRNLPYPKDVYS VSVDQKERCIIVRTTNKKYY KKFSIPDLDRHQLPLDDASL SFAHANCTLIISYQKPKEVV VAESELQKELKKVKTAHSND GDCKTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'swissprot code: Q9BVM2' _Entity.Polymer_author_seq_details '206 residues' _Entity.Ambiguous_conformational_states yes _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 206 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free (in presence of reducing agent in the buffer)' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment DPCD _Entity.Mutation ; Addition of "GPH" extra-residues in N-terminal position. Optimized synthetic gene (for E. coli) encoding the L156S natural variant. ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23531 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details C1048H1672N292O307S8 _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 Q9BVM2 . DPCD_HUMAN . . . . . . . . . . . . . . 51533 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'May play a role in the formation or function of ciliated cells.' 51533 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 -2 GLY . 51533 1 2 -1 PRO . 51533 1 3 0 HIS . 51533 1 4 1 MET . 51533 1 5 2 ALA . 51533 1 6 3 VAL . 51533 1 7 4 THR . 51533 1 8 5 GLY . 51533 1 9 6 TRP . 51533 1 10 7 LEU . 51533 1 11 8 GLU . 51533 1 12 9 SER . 51533 1 13 10 LEU . 51533 1 14 11 ARG . 51533 1 15 12 THR . 51533 1 16 13 ALA . 51533 1 17 14 GLN . 51533 1 18 15 LYS . 51533 1 19 16 THR . 51533 1 20 17 ALA . 51533 1 21 18 LEU . 51533 1 22 19 LEU . 51533 1 23 20 GLN . 51533 1 24 21 ASP . 51533 1 25 22 GLY . 51533 1 26 23 ARG . 51533 1 27 24 ARG . 51533 1 28 25 LYS . 51533 1 29 26 VAL . 51533 1 30 27 HIS . 51533 1 31 28 TYR . 51533 1 32 29 LEU . 51533 1 33 30 PHE . 51533 1 34 31 PRO . 51533 1 35 32 ASP . 51533 1 36 33 GLY . 51533 1 37 34 LYS . 51533 1 38 35 GLU . 51533 1 39 36 MET . 51533 1 40 37 ALA . 51533 1 41 38 GLU . 51533 1 42 39 GLU . 51533 1 43 40 TYR . 51533 1 44 41 ASP . 51533 1 45 42 GLU . 51533 1 46 43 LYS . 51533 1 47 44 THR . 51533 1 48 45 SER . 51533 1 49 46 GLU . 51533 1 50 47 LEU . 51533 1 51 48 LEU . 51533 1 52 49 VAL . 51533 1 53 50 ARG . 51533 1 54 51 LYS . 51533 1 55 52 TRP . 51533 1 56 53 ARG . 51533 1 57 54 VAL . 51533 1 58 55 LYS . 51533 1 59 56 SER . 51533 1 60 57 ALA . 51533 1 61 58 LEU . 51533 1 62 59 GLY . 51533 1 63 60 ALA . 51533 1 64 61 MET . 51533 1 65 62 GLY . 51533 1 66 63 GLN . 51533 1 67 64 TRP . 51533 1 68 65 GLN . 51533 1 69 66 LEU . 51533 1 70 67 GLU . 51533 1 71 68 VAL . 51533 1 72 69 GLY . 51533 1 73 70 ASP . 51533 1 74 71 PRO . 51533 1 75 72 ALA . 51533 1 76 73 PRO . 51533 1 77 74 LEU . 51533 1 78 75 GLY . 51533 1 79 76 ALA . 51533 1 80 77 GLY . 51533 1 81 78 ASN . 51533 1 82 79 LEU . 51533 1 83 80 GLY . 51533 1 84 81 PRO . 51533 1 85 82 GLU . 51533 1 86 83 LEU . 51533 1 87 84 ILE . 51533 1 88 85 LYS . 51533 1 89 86 GLU . 51533 1 90 87 SER . 51533 1 91 88 ASN . 51533 1 92 89 ALA . 51533 1 93 90 ASN . 51533 1 94 91 PRO . 51533 1 95 92 ILE . 51533 1 96 93 PHE . 51533 1 97 94 MET . 51533 1 98 95 ARG . 51533 1 99 96 LYS . 51533 1 100 97 ASP . 51533 1 101 98 THR . 51533 1 102 99 LYS . 51533 1 103 100 MET . 51533 1 104 101 SER . 51533 1 105 102 PHE . 51533 1 106 103 GLN . 51533 1 107 104 TRP . 51533 1 108 105 ARG . 51533 1 109 106 ILE . 51533 1 110 107 ARG . 51533 1 111 108 ASN . 51533 1 112 109 LEU . 51533 1 113 110 PRO . 51533 1 114 111 TYR . 51533 1 115 112 PRO . 51533 1 116 113 LYS . 51533 1 117 114 ASP . 51533 1 118 115 VAL . 51533 1 119 116 TYR . 51533 1 120 117 SER . 51533 1 121 118 VAL . 51533 1 122 119 SER . 51533 1 123 120 VAL . 51533 1 124 121 ASP . 51533 1 125 122 GLN . 51533 1 126 123 LYS . 51533 1 127 124 GLU . 51533 1 128 125 ARG . 51533 1 129 126 CYS . 51533 1 130 127 ILE . 51533 1 131 128 ILE . 51533 1 132 129 VAL . 51533 1 133 130 ARG . 51533 1 134 131 THR . 51533 1 135 132 THR . 51533 1 136 133 ASN . 51533 1 137 134 LYS . 51533 1 138 135 LYS . 51533 1 139 136 TYR . 51533 1 140 137 TYR . 51533 1 141 138 LYS . 51533 1 142 139 LYS . 51533 1 143 140 PHE . 51533 1 144 141 SER . 51533 1 145 142 ILE . 51533 1 146 143 PRO . 51533 1 147 144 ASP . 51533 1 148 145 LEU . 51533 1 149 146 ASP . 51533 1 150 147 ARG . 51533 1 151 148 HIS . 51533 1 152 149 GLN . 51533 1 153 150 LEU . 51533 1 154 151 PRO . 51533 1 155 152 LEU . 51533 1 156 153 ASP . 51533 1 157 154 ASP . 51533 1 158 155 ALA . 51533 1 159 156 SER . 51533 1 160 157 LEU . 51533 1 161 158 SER . 51533 1 162 159 PHE . 51533 1 163 160 ALA . 51533 1 164 161 HIS . 51533 1 165 162 ALA . 51533 1 166 163 ASN . 51533 1 167 164 CYS . 51533 1 168 165 THR . 51533 1 169 166 LEU . 51533 1 170 167 ILE . 51533 1 171 168 ILE . 51533 1 172 169 SER . 51533 1 173 170 TYR . 51533 1 174 171 GLN . 51533 1 175 172 LYS . 51533 1 176 173 PRO . 51533 1 177 174 LYS . 51533 1 178 175 GLU . 51533 1 179 176 VAL . 51533 1 180 177 VAL . 51533 1 181 178 VAL . 51533 1 182 179 ALA . 51533 1 183 180 GLU . 51533 1 184 181 SER . 51533 1 185 182 GLU . 51533 1 186 183 LEU . 51533 1 187 184 GLN . 51533 1 188 185 LYS . 51533 1 189 186 GLU . 51533 1 190 187 LEU . 51533 1 191 188 LYS . 51533 1 192 189 LYS . 51533 1 193 190 VAL . 51533 1 194 191 LYS . 51533 1 195 192 THR . 51533 1 196 193 ALA . 51533 1 197 194 HIS . 51533 1 198 195 SER . 51533 1 199 196 ASN . 51533 1 200 197 ASP . 51533 1 201 198 GLY . 51533 1 202 199 ASP . 51533 1 203 200 CYS . 51533 1 204 201 LYS . 51533 1 205 202 THR . 51533 1 206 203 GLN . 51533 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 51533 1 . PRO 2 2 51533 1 . HIS 3 3 51533 1 . MET 4 4 51533 1 . ALA 5 5 51533 1 . VAL 6 6 51533 1 . THR 7 7 51533 1 . GLY 8 8 51533 1 . TRP 9 9 51533 1 . LEU 10 10 51533 1 . GLU 11 11 51533 1 . SER 12 12 51533 1 . LEU 13 13 51533 1 . ARG 14 14 51533 1 . THR 15 15 51533 1 . ALA 16 16 51533 1 . GLN 17 17 51533 1 . LYS 18 18 51533 1 . THR 19 19 51533 1 . ALA 20 20 51533 1 . LEU 21 21 51533 1 . LEU 22 22 51533 1 . GLN 23 23 51533 1 . ASP 24 24 51533 1 . GLY 25 25 51533 1 . ARG 26 26 51533 1 . ARG 27 27 51533 1 . LYS 28 28 51533 1 . VAL 29 29 51533 1 . HIS 30 30 51533 1 . TYR 31 31 51533 1 . LEU 32 32 51533 1 . PHE 33 33 51533 1 . PRO 34 34 51533 1 . ASP 35 35 51533 1 . GLY 36 36 51533 1 . LYS 37 37 51533 1 . GLU 38 38 51533 1 . MET 39 39 51533 1 . ALA 40 40 51533 1 . GLU 41 41 51533 1 . GLU 42 42 51533 1 . TYR 43 43 51533 1 . ASP 44 44 51533 1 . GLU 45 45 51533 1 . LYS 46 46 51533 1 . THR 47 47 51533 1 . SER 48 48 51533 1 . GLU 49 49 51533 1 . LEU 50 50 51533 1 . LEU 51 51 51533 1 . VAL 52 52 51533 1 . ARG 53 53 51533 1 . LYS 54 54 51533 1 . TRP 55 55 51533 1 . ARG 56 56 51533 1 . VAL 57 57 51533 1 . LYS 58 58 51533 1 . SER 59 59 51533 1 . ALA 60 60 51533 1 . LEU 61 61 51533 1 . GLY 62 62 51533 1 . ALA 63 63 51533 1 . MET 64 64 51533 1 . GLY 65 65 51533 1 . GLN 66 66 51533 1 . TRP 67 67 51533 1 . GLN 68 68 51533 1 . LEU 69 69 51533 1 . GLU 70 70 51533 1 . VAL 71 71 51533 1 . GLY 72 72 51533 1 . ASP 73 73 51533 1 . PRO 74 74 51533 1 . ALA 75 75 51533 1 . PRO 76 76 51533 1 . LEU 77 77 51533 1 . GLY 78 78 51533 1 . ALA 79 79 51533 1 . GLY 80 80 51533 1 . ASN 81 81 51533 1 . LEU 82 82 51533 1 . GLY 83 83 51533 1 . PRO 84 84 51533 1 . GLU 85 85 51533 1 . LEU 86 86 51533 1 . ILE 87 87 51533 1 . LYS 88 88 51533 1 . GLU 89 89 51533 1 . SER 90 90 51533 1 . ASN 91 91 51533 1 . ALA 92 92 51533 1 . ASN 93 93 51533 1 . PRO 94 94 51533 1 . ILE 95 95 51533 1 . PHE 96 96 51533 1 . MET 97 97 51533 1 . ARG 98 98 51533 1 . LYS 99 99 51533 1 . ASP 100 100 51533 1 . THR 101 101 51533 1 . LYS 102 102 51533 1 . MET 103 103 51533 1 . SER 104 104 51533 1 . PHE 105 105 51533 1 . GLN 106 106 51533 1 . TRP 107 107 51533 1 . ARG 108 108 51533 1 . ILE 109 109 51533 1 . ARG 110 110 51533 1 . ASN 111 111 51533 1 . LEU 112 112 51533 1 . PRO 113 113 51533 1 . TYR 114 114 51533 1 . PRO 115 115 51533 1 . LYS 116 116 51533 1 . ASP 117 117 51533 1 . VAL 118 118 51533 1 . TYR 119 119 51533 1 . SER 120 120 51533 1 . VAL 121 121 51533 1 . SER 122 122 51533 1 . VAL 123 123 51533 1 . ASP 124 124 51533 1 . GLN 125 125 51533 1 . LYS 126 126 51533 1 . GLU 127 127 51533 1 . ARG 128 128 51533 1 . CYS 129 129 51533 1 . ILE 130 130 51533 1 . ILE 131 131 51533 1 . VAL 132 132 51533 1 . ARG 133 133 51533 1 . THR 134 134 51533 1 . THR 135 135 51533 1 . ASN 136 136 51533 1 . LYS 137 137 51533 1 . LYS 138 138 51533 1 . TYR 139 139 51533 1 . TYR 140 140 51533 1 . LYS 141 141 51533 1 . LYS 142 142 51533 1 . PHE 143 143 51533 1 . SER 144 144 51533 1 . ILE 145 145 51533 1 . PRO 146 146 51533 1 . ASP 147 147 51533 1 . LEU 148 148 51533 1 . ASP 149 149 51533 1 . ARG 150 150 51533 1 . HIS 151 151 51533 1 . GLN 152 152 51533 1 . LEU 153 153 51533 1 . PRO 154 154 51533 1 . LEU 155 155 51533 1 . ASP 156 156 51533 1 . ASP 157 157 51533 1 . ALA 158 158 51533 1 . SER 159 159 51533 1 . LEU 160 160 51533 1 . SER 161 161 51533 1 . PHE 162 162 51533 1 . ALA 163 163 51533 1 . HIS 164 164 51533 1 . ALA 165 165 51533 1 . ASN 166 166 51533 1 . CYS 167 167 51533 1 . THR 168 168 51533 1 . LEU 169 169 51533 1 . ILE 170 170 51533 1 . ILE 171 171 51533 1 . SER 172 172 51533 1 . TYR 173 173 51533 1 . GLN 174 174 51533 1 . LYS 175 175 51533 1 . PRO 176 176 51533 1 . LYS 177 177 51533 1 . GLU 178 178 51533 1 . VAL 179 179 51533 1 . VAL 180 180 51533 1 . VAL 181 181 51533 1 . ALA 182 182 51533 1 . GLU 183 183 51533 1 . SER 184 184 51533 1 . GLU 185 185 51533 1 . LEU 186 186 51533 1 . GLN 187 187 51533 1 . LYS 188 188 51533 1 . GLU 189 189 51533 1 . LEU 190 190 51533 1 . LYS 191 191 51533 1 . LYS 192 192 51533 1 . VAL 193 193 51533 1 . LYS 194 194 51533 1 . THR 195 195 51533 1 . ALA 196 196 51533 1 . HIS 197 197 51533 1 . SER 198 198 51533 1 . ASN 199 199 51533 1 . ASP 200 200 51533 1 . GLY 201 201 51533 1 . ASP 202 202 51533 1 . CYS 203 203 51533 1 . LYS 204 204 51533 1 . THR 205 205 51533 1 . GLN 206 206 51533 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 51533 _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 . . . . . . . . . . . . ; cellular organisms > Eukaryota (eucaryotes) > Opisthokonta > Metazoa (metazoans) > Eumetazoa > Bilateria > Deuterostomia > Chordata (chordates) > Craniata > Vertebrata (vertebrates) > Gnathostomata (jawed vertebrates) > Teleostomi > Euteleostomi (bony vertebrates) > Sarcopterygii > Dipnotetrapodomorpha > Tetrapoda (tetrapods) > Amniota (amniotes) > Mammalia (mammals) > Theria > Eutheria (placentals) > Boreoeutheria > Euarchontoglires > Primates > Haplorrhini > Simiiformes > Catarrhini > Hominoidea (apes) > Hominidae (great apes) > Homininae > Homo. ; 51533 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 51533 _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(DE3) pRARE2 . pET . . pnEA3CH . . 'home made vector' 51533 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51533 _Sample.ID 1 _Sample.Name '13C/15N DPCD' _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM NaPi, pH 6.5, 300 mM NaCl, 5 mM DTT' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 DPCD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.8 . . mM 0.35 . . . 51533 1 2 NaPi 'natural abundance' . . . . . . 10 . . mM . . . . 51533 1 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 51533 1 4 'DTT deuterated' 'natural abundance' . . . . . . 5 . . mM . . . . 51533 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51533 _Sample.ID 2 _Sample.Name 2H/13C/15N _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM NaPi, pH 6.5, 300 mM NaCl, 5 mM DTT deuterated' _Sample.Aggregate_sample_number 1 _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 DPCD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 1.3 . . mM 0.25 . . . 51533 2 2 NaPi 'natural abundance' . . . . . . 10 . . mM . . . . 51533 2 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 51533 2 4 'DTT deuterated' 'natural abundance' . . . . . . 5 . . mM . . . . 51533 2 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 51533 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _Sample_condition_list.Details '10 mM NaPi, pH 6.5, 300 mM NaCl, 5 mM DTT' 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' 310 . mM 51533 1 pH 6.5 . pH 51533 1 pressure 1 . atm 51533 1 temperature 298 . K 51533 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51533 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 'version 3.0' _Software.DOI . _Software.Details Linux loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51533 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51533 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details 'windows 7' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51533 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51533 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version 4.12 _Software.DOI . _Software.Details Linux loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51533 3 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 51533 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz spectrometer' _NMR_spectrometer.Details 'spectrometer equipped with TCI cryoprobe (1H, 13C et 15N)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51533 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '950 MHz spectrometer' _NMR_spectrometer.Details 'spectrometer equipped with TCI cryoprobe (1H,13C,15N,2H)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 51533 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51533 1 2 '3D HN(CA)CO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51533 1 3 '3D HNCACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51533 1 4 '3D CBCACONH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51533 1 5 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51533 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51533 1 7 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 8 '3D HN(CA)CO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 9 '3D HNCO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 10 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 11 '3D HN(CO)CA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 12 '3D HNCACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 13 '3D CBCACONH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 14 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 1 15 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51533 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 51533 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'isotropic shifts' _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 external indirect 0.25144953 . . . . . 51533 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 51533 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 51533 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 51533 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H, 15N and 13C chemical shifts of human DPCD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51533 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 2 $software_2 . . 51533 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 4 4 MET H H 1 8.277 0.020 . 1 . . . . . 1 M H . 51533 1 2 . 1 . 1 4 4 MET C C 13 172.123 0.300 . 1 . . . . . 1 M C . 51533 1 3 . 1 . 1 4 4 MET CA C 13 52.129 0.300 . 1 . . . . . 1 M CA . 51533 1 4 . 1 . 1 4 4 MET CB C 13 29.591 0.300 . 1 . . . . . 1 M CB . 51533 1 5 . 1 . 1 4 4 MET N N 15 122.387 0.300 . 1 . . . . . 1 M N . 51533 1 6 . 1 . 1 5 5 ALA H H 1 8.340 0.020 . 1 . . . . . 2 A H . 51533 1 7 . 1 . 1 5 5 ALA C C 13 174.268 0.300 . 1 . . . . . 2 A C . 51533 1 8 . 1 . 1 5 5 ALA CA C 13 49.379 0.300 . 1 . . . . . 2 A CA . 51533 1 9 . 1 . 1 5 5 ALA CB C 13 15.803 0.300 . 1 . . . . . 2 A CB . 51533 1 10 . 1 . 1 5 5 ALA N N 15 125.786 0.300 . 1 . . . . . 2 A N . 51533 1 11 . 1 . 1 6 6 VAL H H 1 8.143 0.020 . 1 . . . . . 3 V H . 51533 1 12 . 1 . 1 6 6 VAL C C 13 172.937 0.300 . 1 . . . . . 3 V C . 51533 1 13 . 1 . 1 6 6 VAL CA C 13 59.102 0.300 . 1 . . . . . 3 V CA . 51533 1 14 . 1 . 1 6 6 VAL CB C 13 29.302 0.300 . 1 . . . . . 3 V CB . 51533 1 15 . 1 . 1 6 6 VAL N N 15 119.228 0.300 . 1 . . . . . 3 V N . 51533 1 16 . 1 . 1 7 7 THR H H 1 8.075 0.020 . 1 . . . . . 4 T H . 51533 1 17 . 1 . 1 7 7 THR C C 13 171.766 0.300 . 1 . . . . . 4 T C . 51533 1 18 . 1 . 1 7 7 THR CA C 13 58.590 0.300 . 1 . . . . . 4 T CA . 51533 1 19 . 1 . 1 7 7 THR CB C 13 66.927 0.300 . 1 . . . . . 4 T CB . 51533 1 20 . 1 . 1 7 7 THR N N 15 116.847 0.300 . 1 . . . . . 4 T N . 51533 1 21 . 1 . 1 8 8 GLY H H 1 8.524 0.020 . 1 . . . . . 5 G H . 51533 1 22 . 1 . 1 8 8 GLY C C 13 171.818 0.300 . 1 . . . . . 5 G C . 51533 1 23 . 1 . 1 8 8 GLY CA C 13 42.544 0.300 . 1 . . . . . 5 G CA . 51533 1 24 . 1 . 1 8 8 GLY N N 15 111.090 0.300 . 1 . . . . . 5 G N . 51533 1 25 . 1 . 1 13 13 LEU H H 1 7.852 0.020 . 1 . . . . . 10 L H . 51533 1 26 . 1 . 1 13 13 LEU CA C 13 54.478 0.300 . 1 . . . . . 10 L CA . 51533 1 27 . 1 . 1 13 13 LEU CB C 13 37.969 0.300 . 1 . . . . . 10 L CB . 51533 1 28 . 1 . 1 13 13 LEU N N 15 121.741 0.300 . 1 . . . . . 10 L N . 51533 1 29 . 1 . 1 14 14 ARG H H 1 8.020 0.020 . 1 . . . . . 11 R H . 51533 1 30 . 1 . 1 14 14 ARG C C 13 174.736 0.300 . 1 . . . . . 11 R C . 51533 1 31 . 1 . 1 14 14 ARG CA C 13 56.534 0.300 . 1 . . . . . 11 R CA . 51533 1 32 . 1 . 1 14 14 ARG CB C 13 26.741 0.300 . 1 . . . . . 11 R CB . 51533 1 33 . 1 . 1 14 14 ARG N N 15 118.866 0.300 . 1 . . . . . 11 R N . 51533 1 34 . 1 . 1 15 15 THR H H 1 7.708 0.020 . 1 . . . . . 12 T H . 51533 1 35 . 1 . 1 15 15 THR C C 13 171.754 0.300 . 1 . . . . . 12 T C . 51533 1 36 . 1 . 1 15 15 THR CA C 13 59.658 0.300 . 1 . . . . . 12 T CA . 51533 1 37 . 1 . 1 15 15 THR CB C 13 66.561 0.300 . 1 . . . . . 12 T CB . 51533 1 38 . 1 . 1 15 15 THR N N 15 107.681 0.300 . 1 . . . . . 12 T N . 51533 1 39 . 1 . 1 16 16 ALA H H 1 7.242 0.020 . 1 . . . . . 13 A H . 51533 1 40 . 1 . 1 16 16 ALA C C 13 173.898 0.300 . 1 . . . . . 13 A C . 51533 1 41 . 1 . 1 16 16 ALA CA C 13 49.085 0.300 . 1 . . . . . 13 A CA . 51533 1 42 . 1 . 1 16 16 ALA CB C 13 14.790 0.300 . 1 . . . . . 13 A CB . 51533 1 43 . 1 . 1 16 16 ALA N N 15 124.436 0.300 . 1 . . . . . 13 A N . 51533 1 44 . 1 . 1 17 17 GLN H H 1 8.014 0.020 . 1 . . . . . 14 Q H . 51533 1 45 . 1 . 1 17 17 GLN C C 13 173.085 0.300 . 1 . . . . . 14 Q C . 51533 1 46 . 1 . 1 17 17 GLN CA C 13 52.900 0.300 . 1 . . . . . 14 Q CA . 51533 1 47 . 1 . 1 17 17 GLN CB C 13 25.887 0.300 . 1 . . . . . 14 Q CB . 51533 1 48 . 1 . 1 17 17 GLN N N 15 121.640 0.300 . 1 . . . . . 14 Q N . 51533 1 49 . 1 . 1 18 18 LYS H H 1 8.725 0.020 . 1 . . . . . 15 K H . 51533 1 50 . 1 . 1 18 18 LYS C C 13 172.530 0.300 . 1 . . . . . 15 K C . 51533 1 51 . 1 . 1 18 18 LYS CA C 13 51.915 0.300 . 1 . . . . . 15 K CA . 51533 1 52 . 1 . 1 18 18 LYS CB C 13 31.234 0.300 . 1 . . . . . 15 K CB . 51533 1 53 . 1 . 1 18 18 LYS N N 15 126.838 0.300 . 1 . . . . . 15 K N . 51533 1 54 . 1 . 1 20 20 ALA H H 1 8.436 0.020 . 1 . . . . . 17 A H . 51533 1 55 . 1 . 1 20 20 ALA CA C 13 47.723 0.300 . 1 . . . . . 17 A CA . 51533 1 56 . 1 . 1 20 20 ALA CB C 13 19.874 0.300 . 1 . . . . . 17 A CB . 51533 1 57 . 1 . 1 20 20 ALA N N 15 123.839 0.300 . 1 . . . . . 17 A N . 51533 1 58 . 1 . 1 21 21 LEU H H 1 8.807 0.020 . 1 . . . . . 18 L H . 51533 1 59 . 1 . 1 21 21 LEU C C 13 171.236 0.300 . 1 . . . . . 18 L C . 51533 1 60 . 1 . 1 21 21 LEU CA C 13 51.114 0.300 . 1 . . . . . 18 L CA . 51533 1 61 . 1 . 1 21 21 LEU CB C 13 42.410 0.300 . 1 . . . . . 18 L CB . 51533 1 62 . 1 . 1 21 21 LEU N N 15 121.882 0.300 . 1 . . . . . 18 L N . 51533 1 63 . 1 . 1 22 22 LEU H H 1 8.495 0.020 . 1 . . . . . 19 L H . 51533 1 64 . 1 . 1 22 22 LEU C C 13 172.666 0.300 . 1 . . . . . 19 L C . 51533 1 65 . 1 . 1 22 22 LEU CA C 13 50.473 0.300 . 1 . . . . . 19 L CA . 51533 1 66 . 1 . 1 22 22 LEU CB C 13 38.916 0.300 . 1 . . . . . 19 L CB . 51533 1 67 . 1 . 1 22 22 LEU N N 15 125.404 0.300 . 1 . . . . . 19 L N . 51533 1 68 . 1 . 1 23 23 GLN H H 1 8.766 0.020 . 1 . . . . . 20 Q H . 51533 1 69 . 1 . 1 23 23 GLN C C 13 171.594 0.300 . 1 . . . . . 20 Q C . 51533 1 70 . 1 . 1 23 23 GLN CA C 13 52.369 0.300 . 1 . . . . . 20 Q CA . 51533 1 71 . 1 . 1 23 23 GLN CB C 13 29.264 0.300 . 1 . . . . . 20 Q CB . 51533 1 72 . 1 . 1 23 23 GLN N N 15 124.533 0.300 . 1 . . . . . 20 Q N . 51533 1 73 . 1 . 1 24 24 ASP H H 1 9.338 0.020 . 1 . . . . . 21 D H . 51533 1 74 . 1 . 1 24 24 ASP C C 13 172.296 0.300 . 1 . . . . . 21 D C . 51533 1 75 . 1 . 1 24 24 ASP CA C 13 52.422 0.300 . 1 . . . . . 21 D CA . 51533 1 76 . 1 . 1 24 24 ASP CB C 13 36.553 0.300 . 1 . . . . . 21 D CB . 51533 1 77 . 1 . 1 24 24 ASP N N 15 125.253 0.300 . 1 . . . . . 21 D N . 51533 1 78 . 1 . 1 25 25 GLY H H 1 8.773 0.020 . 1 . . . . . 22 G H . 51533 1 79 . 1 . 1 25 25 GLY C C 13 171.236 0.300 . 1 . . . . . 22 G C . 51533 1 80 . 1 . 1 25 25 GLY CA C 13 42.677 0.300 . 1 . . . . . 22 G CA . 51533 1 81 . 1 . 1 25 25 GLY N N 15 104.346 0.300 . 1 . . . . . 22 G N . 51533 1 82 . 1 . 1 26 26 ARG H H 1 8.003 0.020 . 1 . . . . . 23 R H . 51533 1 83 . 1 . 1 26 26 ARG C C 13 170.842 0.300 . 1 . . . . . 23 R C . 51533 1 84 . 1 . 1 26 26 ARG CA C 13 51.036 0.300 . 1 . . . . . 23 R CA . 51533 1 85 . 1 . 1 26 26 ARG CB C 13 29.893 0.300 . 1 . . . . . 23 R CB . 51533 1 86 . 1 . 1 26 26 ARG N N 15 119.316 0.300 . 1 . . . . . 23 R N . 51533 1 87 . 1 . 1 27 27 ARG H H 1 9.083 0.020 . 1 . . . . . 24 R H . 51533 1 88 . 1 . 1 27 27 ARG C C 13 171.680 0.300 . 1 . . . . . 24 R C . 51533 1 89 . 1 . 1 27 27 ARG CA C 13 52.102 0.300 . 1 . . . . . 24 R CA . 51533 1 90 . 1 . 1 27 27 ARG CB C 13 28.120 0.300 . 1 . . . . . 24 R CB . 51533 1 91 . 1 . 1 27 27 ARG N N 15 123.138 0.300 . 1 . . . . . 24 R N . 51533 1 92 . 1 . 1 28 28 LYS H H 1 9.429 0.020 . 1 . . . . . 25 K H . 51533 1 93 . 1 . 1 28 28 LYS C C 13 172.259 0.300 . 1 . . . . . 25 K C . 51533 1 94 . 1 . 1 28 28 LYS CA C 13 52.743 0.300 . 1 . . . . . 25 K CA . 51533 1 95 . 1 . 1 28 28 LYS CB C 13 29.133 0.300 . 1 . . . . . 25 K CB . 51533 1 96 . 1 . 1 28 28 LYS N N 15 128.654 0.300 . 1 . . . . . 25 K N . 51533 1 97 . 1 . 1 29 29 VAL H H 1 9.423 0.020 . 1 . . . . . 26 V H . 51533 1 98 . 1 . 1 29 29 VAL C C 13 170.645 0.300 . 1 . . . . . 26 V C . 51533 1 99 . 1 . 1 29 29 VAL CA C 13 57.575 0.300 . 1 . . . . . 26 V CA . 51533 1 100 . 1 . 1 29 29 VAL CB C 13 31.600 0.300 . 1 . . . . . 26 V CB . 51533 1 101 . 1 . 1 29 29 VAL N N 15 124.980 0.300 . 1 . . . . . 26 V N . 51533 1 102 . 1 . 1 30 30 HIS H H 1 8.895 0.020 . 1 . . . . . 27 H H . 51533 1 103 . 1 . 1 30 30 HIS C C 13 169.683 0.300 . 1 . . . . . 27 H C . 51533 1 104 . 1 . 1 30 30 HIS CA C 13 52.049 0.300 . 1 . . . . . 27 H CA . 51533 1 105 . 1 . 1 30 30 HIS CB C 13 28.607 0.300 . 1 . . . . . 27 H CB . 51533 1 106 . 1 . 1 30 30 HIS N N 15 127.452 0.300 . 1 . . . . . 27 H N . 51533 1 107 . 1 . 1 31 31 TYR H H 1 9.351 0.020 . 1 . . . . . 28 Y H . 51533 1 108 . 1 . 1 31 31 TYR C C 13 170.805 0.300 . 1 . . . . . 28 Y C . 51533 1 109 . 1 . 1 31 31 TYR CA C 13 52.983 0.300 . 1 . . . . . 28 Y CA . 51533 1 110 . 1 . 1 31 31 TYR CB C 13 37.641 0.300 . 1 . . . . . 28 Y CB . 51533 1 111 . 1 . 1 31 31 TYR N N 15 122.758 0.300 . 1 . . . . . 28 Y N . 51533 1 112 . 1 . 1 32 32 LEU H H 1 8.682 0.020 . 1 . . . . . 29 L H . 51533 1 113 . 1 . 1 32 32 LEU C C 13 173.418 0.300 . 1 . . . . . 29 L C . 51533 1 114 . 1 . 1 32 32 LEU CA C 13 50.767 0.300 . 1 . . . . . 29 L CA . 51533 1 115 . 1 . 1 32 32 LEU CB C 13 40.295 0.300 . 1 . . . . . 29 L CB . 51533 1 116 . 1 . 1 32 32 LEU N N 15 122.883 0.300 . 1 . . . . . 29 L N . 51533 1 117 . 1 . 1 33 33 PHE H H 1 9.039 0.020 . 1 . . . . . 30 F H . 51533 1 118 . 1 . 1 33 33 PHE C C 13 172.801 0.300 . 1 . . . . . 30 F C . 51533 1 119 . 1 . 1 33 33 PHE CA C 13 54.717 0.300 . 1 . . . . . 30 F CA . 51533 1 120 . 1 . 1 33 33 PHE CB C 13 35.568 0.300 . 1 . . . . . 30 F CB . 51533 1 121 . 1 . 1 33 33 PHE N N 15 126.674 0.300 . 1 . . . . . 30 F N . 51533 1 122 . 1 . 1 35 35 ASP H H 1 7.915 0.020 . 1 . . . . . 32 D H . 51533 1 123 . 1 . 1 35 35 ASP C C 13 173.960 0.300 . 1 . . . . . 32 D C . 51533 1 124 . 1 . 1 35 35 ASP CA C 13 50.230 0.300 . 1 . . . . . 32 D CA . 51533 1 125 . 1 . 1 35 35 ASP CB C 13 36.553 0.300 . 1 . . . . . 32 D CB . 51533 1 126 . 1 . 1 35 35 ASP N N 15 114.462 0.300 . 1 . . . . . 32 D N . 51533 1 127 . 1 . 1 36 36 GLY H H 1 8.298 0.020 . 1 . . . . . 33 G H . 51533 1 128 . 1 . 1 36 36 GLY CA C 13 42.250 0.300 . 1 . . . . . 33 G CA . 51533 1 129 . 1 . 1 36 36 GLY N N 15 108.535 0.300 . 1 . . . . . 33 G N . 51533 1 130 . 1 . 1 37 37 LYS H H 1 7.763 0.020 . 1 . . . . . 34 K H . 51533 1 131 . 1 . 1 37 37 LYS C C 13 171.779 0.300 . 1 . . . . . 34 K C . 51533 1 132 . 1 . 1 37 37 LYS CA C 13 54.610 0.300 . 1 . . . . . 34 K CA . 51533 1 133 . 1 . 1 37 37 LYS CB C 13 30.249 0.300 . 1 . . . . . 34 K CB . 51533 1 134 . 1 . 1 37 37 LYS N N 15 119.551 0.300 . 1 . . . . . 34 K N . 51533 1 135 . 1 . 1 38 38 GLU H H 1 8.918 0.020 . 1 . . . . . 35 E H . 51533 1 136 . 1 . 1 38 38 GLU C C 13 171.273 0.300 . 1 . . . . . 35 E C . 51533 1 137 . 1 . 1 38 38 GLU CA C 13 51.381 0.300 . 1 . . . . . 35 E CA . 51533 1 138 . 1 . 1 38 38 GLU CB C 13 31.365 0.300 . 1 . . . . . 35 E CB . 51533 1 139 . 1 . 1 38 38 GLU N N 15 119.639 0.300 . 1 . . . . . 35 E N . 51533 1 140 . 1 . 1 39 39 MET H H 1 8.802 0.020 . 1 . . . . . 36 M H . 51533 1 141 . 1 . 1 39 39 MET C C 13 169.683 0.300 . 1 . . . . . 36 M C . 51533 1 142 . 1 . 1 39 39 MET CA C 13 50.420 0.300 . 1 . . . . . 36 M CA . 51533 1 143 . 1 . 1 39 39 MET CB C 13 34.095 0.300 . 1 . . . . . 36 M CB . 51533 1 144 . 1 . 1 39 39 MET N N 15 122.377 0.300 . 1 . . . . . 36 M N . 51533 1 145 . 1 . 1 40 40 ALA H H 1 9.156 0.020 . 1 . . . . . 37 A H . 51533 1 146 . 1 . 1 40 40 ALA C C 13 173.073 0.300 . 1 . . . . . 37 A C . 51533 1 147 . 1 . 1 40 40 ALA CA C 13 47.403 0.300 . 1 . . . . . 37 A CA . 51533 1 148 . 1 . 1 40 40 ALA CB C 13 18.533 0.300 . 1 . . . . . 37 A CB . 51533 1 149 . 1 . 1 40 40 ALA N N 15 128.053 0.300 . 1 . . . . . 37 A N . 51533 1 150 . 1 . 1 41 41 GLU H H 1 9.228 0.020 . 1 . . . . . 38 E H . 51533 1 151 . 1 . 1 41 41 GLU C C 13 172.789 0.300 . 1 . . . . . 38 E C . 51533 1 152 . 1 . 1 41 41 GLU CA C 13 50.473 0.300 . 1 . . . . . 38 E CA . 51533 1 153 . 1 . 1 41 41 GLU CB C 13 33.204 0.300 . 1 . . . . . 38 E CB . 51533 1 154 . 1 . 1 41 41 GLU N N 15 119.014 0.300 . 1 . . . . . 38 E N . 51533 1 155 . 1 . 1 42 42 GLU H H 1 8.420 0.020 . 1 . . . . . 39 E H . 51533 1 156 . 1 . 1 42 42 GLU C C 13 171.347 0.300 . 1 . . . . . 39 E C . 51533 1 157 . 1 . 1 42 42 GLU CA C 13 51.461 0.300 . 1 . . . . . 39 E CA . 51533 1 158 . 1 . 1 42 42 GLU CB C 13 28.870 0.300 . 1 . . . . . 39 E CB . 51533 1 159 . 1 . 1 42 42 GLU N N 15 117.272 0.300 . 1 . . . . . 39 E N . 51533 1 160 . 1 . 1 43 43 TYR H H 1 9.311 0.020 . 1 . . . . . 40 Y H . 51533 1 161 . 1 . 1 43 43 TYR C C 13 172.900 0.300 . 1 . . . . . 40 Y C . 51533 1 162 . 1 . 1 43 43 TYR CA C 13 53.036 0.300 . 1 . . . . . 40 Y CA . 51533 1 163 . 1 . 1 43 43 TYR CB C 13 38.916 0.300 . 1 . . . . . 40 Y CB . 51533 1 164 . 1 . 1 43 43 TYR N N 15 121.730 0.300 . 1 . . . . . 40 Y N . 51533 1 165 . 1 . 1 44 44 ASP H H 1 8.913 0.020 . 1 . . . . . 41 D H . 51533 1 166 . 1 . 1 44 44 ASP C C 13 174.391 0.300 . 1 . . . . . 41 D C . 51533 1 167 . 1 . 1 44 44 ASP CA C 13 52.289 0.300 . 1 . . . . . 41 D CA . 51533 1 168 . 1 . 1 44 44 ASP CB C 13 40.164 0.300 . 1 . . . . . 41 D CB . 51533 1 169 . 1 . 1 44 44 ASP N N 15 122.870 0.300 . 1 . . . . . 41 D N . 51533 1 170 . 1 . 1 45 45 GLU H H 1 8.440 0.020 . 1 . . . . . 42 E H . 51533 1 171 . 1 . 1 45 45 GLU C C 13 173.639 0.300 . 1 . . . . . 42 E C . 51533 1 172 . 1 . 1 45 45 GLU CA C 13 56.080 0.300 . 1 . . . . . 42 E CA . 51533 1 173 . 1 . 1 45 45 GLU CB C 13 26.243 0.300 . 1 . . . . . 42 E CB . 51533 1 174 . 1 . 1 45 45 GLU N N 15 128.422 0.300 . 1 . . . . . 42 E N . 51533 1 175 . 1 . 1 46 46 LYS H H 1 8.362 0.020 . 1 . . . . . 43 K H . 51533 1 176 . 1 . 1 46 46 LYS C C 13 175.870 0.300 . 1 . . . . . 43 K C . 51533 1 177 . 1 . 1 46 46 LYS CA C 13 55.439 0.300 . 1 . . . . . 43 K CA . 51533 1 178 . 1 . 1 46 46 LYS CB C 13 29.330 0.300 . 1 . . . . . 43 K CB . 51533 1 179 . 1 . 1 46 46 LYS N N 15 117.160 0.300 . 1 . . . . . 43 K N . 51533 1 180 . 1 . 1 47 47 THR H H 1 8.422 0.020 . 1 . . . . . 44 T H . 51533 1 181 . 1 . 1 47 47 THR C C 13 173.109 0.300 . 1 . . . . . 44 T C . 51533 1 182 . 1 . 1 47 47 THR CA C 13 58.883 0.300 . 1 . . . . . 44 T CA . 51533 1 183 . 1 . 1 47 47 THR CB C 13 67.743 0.300 . 1 . . . . . 44 T CB . 51533 1 184 . 1 . 1 47 47 THR N N 15 108.046 0.300 . 1 . . . . . 44 T N . 51533 1 185 . 1 . 1 48 48 SER H H 1 8.101 0.020 . 1 . . . . . 45 S H . 51533 1 186 . 1 . 1 48 48 SER CA C 13 57.442 0.300 . 1 . . . . . 45 S CA . 51533 1 187 . 1 . 1 48 48 SER N N 15 112.752 0.300 . 1 . . . . . 45 S N . 51533 1 188 . 1 . 1 49 49 GLU H H 1 7.686 0.020 . 1 . . . . . 46 E H . 51533 1 189 . 1 . 1 49 49 GLU C C 13 172.875 0.300 . 1 . . . . . 46 E C . 51533 1 190 . 1 . 1 49 49 GLU CA C 13 53.625 0.300 . 1 . . . . . 46 E CA . 51533 1 191 . 1 . 1 49 49 GLU CB C 13 27.425 0.300 . 1 . . . . . 46 E CB . 51533 1 192 . 1 . 1 49 49 GLU N N 15 119.193 0.300 . 1 . . . . . 46 E N . 51533 1 193 . 1 . 1 50 50 LEU H H 1 8.594 0.020 . 1 . . . . . 47 L H . 51533 1 194 . 1 . 1 50 50 LEU C C 13 171.988 0.300 . 1 . . . . . 47 L C . 51533 1 195 . 1 . 1 50 50 LEU CA C 13 52.556 0.300 . 1 . . . . . 47 L CA . 51533 1 196 . 1 . 1 50 50 LEU CB C 13 38.063 0.300 . 1 . . . . . 47 L CB . 51533 1 197 . 1 . 1 50 50 LEU N N 15 125.250 0.300 . 1 . . . . . 47 L N . 51533 1 198 . 1 . 1 51 51 LEU H H 1 8.911 0.020 . 1 . . . . . 48 L H . 51533 1 199 . 1 . 1 51 51 LEU CA C 13 52.369 0.300 . 1 . . . . . 48 L CA . 51533 1 200 . 1 . 1 51 51 LEU N N 15 127.015 0.300 . 1 . . . . . 48 L N . 51533 1 201 . 1 . 1 52 52 VAL H H 1 7.201 0.020 . 1 . . . . . 49 V H . 51533 1 202 . 1 . 1 52 52 VAL CA C 13 57.121 0.300 . 1 . . . . . 49 V CA . 51533 1 203 . 1 . 1 52 52 VAL N N 15 115.527 0.300 . 1 . . . . . 49 V N . 51533 1 204 . 1 . 1 55 55 TRP H H 1 9.195 0.020 . 1 . . . . . 52 W H . 51533 1 205 . 1 . 1 55 55 TRP C C 13 172.764 0.300 . 1 . . . . . 52 W C . 51533 1 206 . 1 . 1 55 55 TRP CA C 13 53.806 0.300 . 1 . . . . . 52 W CA . 51533 1 207 . 1 . 1 55 55 TRP CB C 13 31.731 0.300 . 1 . . . . . 52 W CB . 51533 1 208 . 1 . 1 55 55 TRP N N 15 119.975 0.300 . 1 . . . . . 52 W N . 51533 1 209 . 1 . 1 56 56 ARG H H 1 9.293 0.020 . 1 . . . . . 53 R H . 51533 1 210 . 1 . 1 56 56 ARG C C 13 170.743 0.300 . 1 . . . . . 53 R C . 51533 1 211 . 1 . 1 56 56 ARG CA C 13 52.903 0.300 . 1 . . . . . 53 R CA . 51533 1 212 . 1 . 1 56 56 ARG CB C 13 28.973 0.300 . 1 . . . . . 53 R CB . 51533 1 213 . 1 . 1 56 56 ARG N N 15 119.941 0.300 . 1 . . . . . 53 R N . 51533 1 214 . 1 . 1 57 57 VAL H H 1 8.251 0.020 . 1 . . . . . 54 V H . 51533 1 215 . 1 . 1 57 57 VAL C C 13 171.976 0.300 . 1 . . . . . 54 V C . 51533 1 216 . 1 . 1 57 57 VAL CA C 13 57.150 0.300 . 1 . . . . . 54 V CA . 51533 1 217 . 1 . 1 57 57 VAL CB C 13 30.905 0.300 . 1 . . . . . 54 V CB . 51533 1 218 . 1 . 1 57 57 VAL N N 15 118.868 0.300 . 1 . . . . . 54 V N . 51533 1 219 . 1 . 1 58 58 LYS H H 1 8.323 0.020 . 1 . . . . . 55 K H . 51533 1 220 . 1 . 1 58 58 LYS C C 13 173.553 0.300 . 1 . . . . . 55 K C . 51533 1 221 . 1 . 1 58 58 LYS CA C 13 53.677 0.300 . 1 . . . . . 55 K CA . 51533 1 222 . 1 . 1 58 58 LYS CB C 13 29.827 0.300 . 1 . . . . . 55 K CB . 51533 1 223 . 1 . 1 58 58 LYS N N 15 125.403 0.300 . 1 . . . . . 55 K N . 51533 1 224 . 1 . 1 59 59 SER H H 1 8.647 0.020 . 1 . . . . . 56 S H . 51533 1 225 . 1 . 1 59 59 SER C C 13 172.000 0.300 . 1 . . . . . 56 S C . 51533 1 226 . 1 . 1 59 59 SER CA C 13 54.345 0.300 . 1 . . . . . 56 S CA . 51533 1 227 . 1 . 1 59 59 SER CB C 13 62.037 0.300 . 1 . . . . . 56 S CB . 51533 1 228 . 1 . 1 59 59 SER N N 15 119.093 0.300 . 1 . . . . . 56 S N . 51533 1 229 . 1 . 1 60 60 ALA H H 1 8.590 0.020 . 1 . . . . . 57 A H . 51533 1 230 . 1 . 1 60 60 ALA C C 13 174.921 0.300 . 1 . . . . . 57 A C . 51533 1 231 . 1 . 1 60 60 ALA CA C 13 50.687 0.300 . 1 . . . . . 57 A CA . 51533 1 232 . 1 . 1 60 60 ALA CB C 13 15.409 0.300 . 1 . . . . . 57 A CB . 51533 1 233 . 1 . 1 60 60 ALA N N 15 124.541 0.300 . 1 . . . . . 57 A N . 51533 1 234 . 1 . 1 61 61 LEU H H 1 7.868 0.020 . 1 . . . . . 58 L H . 51533 1 235 . 1 . 1 61 61 LEU C C 13 174.675 0.300 . 1 . . . . . 58 L C . 51533 1 236 . 1 . 1 61 61 LEU CA C 13 51.844 0.300 . 1 . . . . . 58 L CA . 51533 1 237 . 1 . 1 61 61 LEU CB C 13 38.063 0.300 . 1 . . . . . 58 L CB . 51533 1 238 . 1 . 1 61 61 LEU N N 15 116.691 0.300 . 1 . . . . . 58 L N . 51533 1 239 . 1 . 1 62 62 GLY H H 1 8.020 0.020 . 1 . . . . . 59 G H . 51533 1 240 . 1 . 1 62 62 GLY C C 13 170.534 0.300 . 1 . . . . . 59 G C . 51533 1 241 . 1 . 1 62 62 GLY CA C 13 42.250 0.300 . 1 . . . . . 59 G CA . 51533 1 242 . 1 . 1 62 62 GLY N N 15 108.283 0.300 . 1 . . . . . 59 G N . 51533 1 243 . 1 . 1 63 63 ALA H H 1 7.611 0.020 . 1 . . . . . 60 A H . 51533 1 244 . 1 . 1 63 63 ALA C C 13 174.391 0.300 . 1 . . . . . 60 A C . 51533 1 245 . 1 . 1 63 63 ALA CA C 13 48.685 0.300 . 1 . . . . . 60 A CA . 51533 1 246 . 1 . 1 63 63 ALA CB C 13 16.169 0.300 . 1 . . . . . 60 A CB . 51533 1 247 . 1 . 1 63 63 ALA N N 15 123.067 0.300 . 1 . . . . . 60 A N . 51533 1 248 . 1 . 1 64 64 MET H H 1 8.507 0.020 . 1 . . . . . 61 M H . 51533 1 249 . 1 . 1 64 64 MET C C 13 174.046 0.300 . 1 . . . . . 61 M C . 51533 1 250 . 1 . 1 64 64 MET CA C 13 51.961 0.300 . 1 . . . . . 61 M CA . 51533 1 251 . 1 . 1 64 64 MET CB C 13 28.146 0.300 . 1 . . . . . 61 M CB . 51533 1 252 . 1 . 1 64 64 MET N N 15 119.685 0.300 . 1 . . . . . 61 M N . 51533 1 253 . 1 . 1 65 65 GLY H H 1 8.171 0.020 . 1 . . . . . 62 G H . 51533 1 254 . 1 . 1 65 65 GLY C C 13 169.757 0.300 . 1 . . . . . 62 G C . 51533 1 255 . 1 . 1 65 65 GLY CA C 13 41.449 0.300 . 1 . . . . . 62 G CA . 51533 1 256 . 1 . 1 65 65 GLY N N 15 110.576 0.300 . 1 . . . . . 62 G N . 51533 1 257 . 1 . 1 66 66 GLN H H 1 8.136 0.020 . 1 . . . . . 63 Q H . 51533 1 258 . 1 . 1 66 66 GLN C C 13 173.368 0.300 . 1 . . . . . 63 Q C . 51533 1 259 . 1 . 1 66 66 GLN CA C 13 51.715 0.300 . 1 . . . . . 63 Q CA . 51533 1 260 . 1 . 1 66 66 GLN CB C 13 26.544 0.300 . 1 . . . . . 63 Q CB . 51533 1 261 . 1 . 1 66 66 GLN N N 15 117.451 0.300 . 1 . . . . . 63 Q N . 51533 1 262 . 1 . 1 67 67 TRP H H 1 8.450 0.020 . 1 . . . . . 64 W H . 51533 1 263 . 1 . 1 67 67 TRP C C 13 173.627 0.300 . 1 . . . . . 64 W C . 51533 1 264 . 1 . 1 67 67 TRP CA C 13 54.825 0.300 . 1 . . . . . 64 W CA . 51533 1 265 . 1 . 1 67 67 TRP CB C 13 27.923 0.300 . 1 . . . . . 64 W CB . 51533 1 266 . 1 . 1 67 67 TRP N N 15 121.094 0.300 . 1 . . . . . 64 W N . 51533 1 267 . 1 . 1 68 68 GLN H H 1 10.065 0.020 . 1 . . . . . 65 Q H . 51533 1 268 . 1 . 1 68 68 GLN C C 13 172.752 0.300 . 1 . . . . . 65 Q C . 51533 1 269 . 1 . 1 68 68 GLN CA C 13 51.141 0.300 . 1 . . . . . 65 Q CA . 51533 1 270 . 1 . 1 68 68 GLN CB C 13 27.332 0.300 . 1 . . . . . 65 Q CB . 51533 1 271 . 1 . 1 68 68 GLN N N 15 123.134 0.300 . 1 . . . . . 65 Q N . 51533 1 272 . 1 . 1 69 69 LEU H H 1 9.038 0.020 . 1 . . . . . 66 L H . 51533 1 273 . 1 . 1 69 69 LEU CA C 13 53.357 0.300 . 1 . . . . . 66 L CA . 51533 1 274 . 1 . 1 69 69 LEU CB C 13 39.704 0.300 . 1 . . . . . 66 L CB . 51533 1 275 . 1 . 1 69 69 LEU N N 15 127.575 0.300 . 1 . . . . . 66 L N . 51533 1 276 . 1 . 1 75 75 ALA H H 1 8.353 0.020 . 1 . . . . . 72 A H . 51533 1 277 . 1 . 1 75 75 ALA C C 13 171.779 0.300 . 1 . . . . . 72 A C . 51533 1 278 . 1 . 1 75 75 ALA CA C 13 47.884 0.300 . 1 . . . . . 72 A CA . 51533 1 279 . 1 . 1 75 75 ALA CB C 13 14.921 0.300 . 1 . . . . . 72 A CB . 51533 1 280 . 1 . 1 75 75 ALA N N 15 125.039 0.300 . 1 . . . . . 72 A N . 51533 1 281 . 1 . 1 77 77 LEU H H 1 8.228 0.020 . 1 . . . . . 74 L H . 51533 1 282 . 1 . 1 77 77 LEU C C 13 174.872 0.300 . 1 . . . . . 74 L C . 51533 1 283 . 1 . 1 77 77 LEU CA C 13 52.289 0.300 . 1 . . . . . 74 L CA . 51533 1 284 . 1 . 1 77 77 LEU CB C 13 38.543 0.300 . 1 . . . . . 74 L CB . 51533 1 285 . 1 . 1 77 77 LEU N N 15 121.680 0.300 . 1 . . . . . 74 L N . 51533 1 286 . 1 . 1 78 78 GLY H H 1 8.279 0.020 . 1 . . . . . 75 G H . 51533 1 287 . 1 . 1 78 78 GLY C C 13 170.632 0.300 . 1 . . . . . 75 G C . 51533 1 288 . 1 . 1 78 78 GLY CA C 13 42.117 0.300 . 1 . . . . . 75 G CA . 51533 1 289 . 1 . 1 78 78 GLY N N 15 109.363 0.300 . 1 . . . . . 75 G N . 51533 1 290 . 1 . 1 79 79 ALA H H 1 8.124 0.020 . 1 . . . . . 76 A H . 51533 1 291 . 1 . 1 79 79 ALA C C 13 174.995 0.300 . 1 . . . . . 76 A C . 51533 1 292 . 1 . 1 79 79 ALA CA C 13 49.566 0.300 . 1 . . . . . 76 A CA . 51533 1 293 . 1 . 1 79 79 ALA CB C 13 15.803 0.300 . 1 . . . . . 76 A CB . 51533 1 294 . 1 . 1 79 79 ALA N N 15 123.542 0.300 . 1 . . . . . 76 A N . 51533 1 295 . 1 . 1 80 80 GLY H H 1 8.356 0.020 . 1 . . . . . 77 G H . 51533 1 296 . 1 . 1 80 80 GLY C C 13 170.682 0.300 . 1 . . . . . 77 G C . 51533 1 297 . 1 . 1 80 80 GLY CA C 13 42.277 0.300 . 1 . . . . . 77 G CA . 51533 1 298 . 1 . 1 80 80 GLY N N 15 107.613 0.300 . 1 . . . . . 77 G N . 51533 1 299 . 1 . 1 81 81 ASN H H 1 8.194 0.020 . 1 . . . . . 78 N H . 51533 1 300 . 1 . 1 81 81 ASN C C 13 171.705 0.300 . 1 . . . . . 78 N C . 51533 1 301 . 1 . 1 81 81 ASN CA C 13 50.168 0.300 . 1 . . . . . 78 N CA . 51533 1 302 . 1 . 1 81 81 ASN CB C 13 35.663 0.300 . 1 . . . . . 78 N CB . 51533 1 303 . 1 . 1 81 81 ASN N N 15 118.188 0.300 . 1 . . . . . 78 N N . 51533 1 304 . 1 . 1 82 82 LEU H H 1 8.155 0.020 . 1 . . . . . 79 L H . 51533 1 305 . 1 . 1 82 82 LEU C C 13 174.058 0.300 . 1 . . . . . 79 L C . 51533 1 306 . 1 . 1 82 82 LEU CA C 13 51.942 0.300 . 1 . . . . . 79 L CA . 51533 1 307 . 1 . 1 82 82 LEU CB C 13 38.838 0.300 . 1 . . . . . 79 L CB . 51533 1 308 . 1 . 1 82 82 LEU N N 15 121.751 0.300 . 1 . . . . . 79 L N . 51533 1 309 . 1 . 1 83 83 GLY H H 1 8.105 0.020 . 1 . . . . . 80 G H . 51533 1 310 . 1 . 1 83 83 GLY C C 13 168.870 0.300 . 1 . . . . . 80 G C . 51533 1 311 . 1 . 1 83 83 GLY CA C 13 41.609 0.300 . 1 . . . . . 80 G CA . 51533 1 312 . 1 . 1 83 83 GLY N N 15 109.033 0.300 . 1 . . . . . 80 G N . 51533 1 313 . 1 . 1 85 85 GLU H H 1 8.566 0.020 . 1 . . . . . 82 E H . 51533 1 314 . 1 . 1 85 85 GLU C C 13 173.418 0.300 . 1 . . . . . 82 E C . 51533 1 315 . 1 . 1 85 85 GLU CA C 13 54.061 0.300 . 1 . . . . . 82 E CA . 51533 1 316 . 1 . 1 85 85 GLU CB C 13 26.019 0.300 . 1 . . . . . 82 E CB . 51533 1 317 . 1 . 1 85 85 GLU N N 15 119.450 0.300 . 1 . . . . . 82 E N . 51533 1 318 . 1 . 1 86 86 LEU H H 1 7.984 0.020 . 1 . . . . . 83 L H . 51533 1 319 . 1 . 1 86 86 LEU C C 13 174.243 0.300 . 1 . . . . . 83 L C . 51533 1 320 . 1 . 1 86 86 LEU CA C 13 52.312 0.300 . 1 . . . . . 83 L CA . 51533 1 321 . 1 . 1 86 86 LEU CB C 13 38.522 0.300 . 1 . . . . . 83 L CB . 51533 1 322 . 1 . 1 86 86 LEU N N 15 122.153 0.300 . 1 . . . . . 83 L N . 51533 1 323 . 1 . 1 87 87 ILE H H 1 7.902 0.020 . 1 . . . . . 84 I H . 51533 1 324 . 1 . 1 87 87 ILE C C 13 173.097 0.300 . 1 . . . . . 84 I C . 51533 1 325 . 1 . 1 87 87 ILE CA C 13 58.349 0.300 . 1 . . . . . 84 I CA . 51533 1 326 . 1 . 1 87 87 ILE CB C 13 34.883 0.300 . 1 . . . . . 84 I CB . 51533 1 327 . 1 . 1 87 87 ILE N N 15 121.225 0.300 . 1 . . . . . 84 I N . 51533 1 328 . 1 . 1 88 88 LYS H H 1 8.156 0.020 . 1 . . . . . 85 K H . 51533 1 329 . 1 . 1 88 88 LYS C C 13 173.553 0.300 . 1 . . . . . 85 K C . 51533 1 330 . 1 . 1 88 88 LYS CA C 13 53.570 0.300 . 1 . . . . . 85 K CA . 51533 1 331 . 1 . 1 88 88 LYS CB C 13 29.330 0.300 . 1 . . . . . 85 K CB . 51533 1 332 . 1 . 1 88 88 LYS N N 15 124.250 0.300 . 1 . . . . . 85 K N . 51533 1 333 . 1 . 1 89 89 GLU H H 1 8.290 0.020 . 1 . . . . . 86 E H . 51533 1 334 . 1 . 1 89 89 GLU C C 13 173.430 0.300 . 1 . . . . . 86 E C . 51533 1 335 . 1 . 1 89 89 GLU CA C 13 53.704 0.300 . 1 . . . . . 86 E CA . 51533 1 336 . 1 . 1 89 89 GLU CB C 13 26.609 0.300 . 1 . . . . . 86 E CB . 51533 1 337 . 1 . 1 89 89 GLU N N 15 121.189 0.300 . 1 . . . . . 86 E N . 51533 1 338 . 1 . 1 90 90 SER H H 1 8.223 0.020 . 1 . . . . . 87 S H . 51533 1 339 . 1 . 1 90 90 SER C C 13 171.273 0.300 . 1 . . . . . 87 S C . 51533 1 340 . 1 . 1 90 90 SER CA C 13 55.695 0.300 . 1 . . . . . 87 S CA . 51533 1 341 . 1 . 1 90 90 SER CB C 13 60.921 0.300 . 1 . . . . . 87 S CB . 51533 1 342 . 1 . 1 90 90 SER N N 15 115.876 0.300 . 1 . . . . . 87 S N . 51533 1 343 . 1 . 1 91 91 ASN H H 1 8.284 0.020 . 1 . . . . . 88 N H . 51533 1 344 . 1 . 1 91 91 ASN C C 13 171.273 0.300 . 1 . . . . . 88 N C . 51533 1 345 . 1 . 1 91 91 ASN CA C 13 50.286 0.300 . 1 . . . . . 88 N CA . 51533 1 346 . 1 . 1 91 91 ASN CB C 13 35.633 0.300 . 1 . . . . . 88 N CB . 51533 1 347 . 1 . 1 91 91 ASN N N 15 120.228 0.300 . 1 . . . . . 88 N N . 51533 1 348 . 1 . 1 92 92 ALA H H 1 8.014 0.020 . 1 . . . . . 89 A H . 51533 1 349 . 1 . 1 92 92 ALA C C 13 173.701 0.300 . 1 . . . . . 89 A C . 51533 1 350 . 1 . 1 92 92 ALA CA C 13 49.226 0.300 . 1 . . . . . 89 A CA . 51533 1 351 . 1 . 1 92 92 ALA CB C 13 16.131 0.300 . 1 . . . . . 89 A CB . 51533 1 352 . 1 . 1 92 92 ALA N N 15 122.697 0.300 . 1 . . . . . 89 A N . 51533 1 353 . 1 . 1 93 93 ASN H H 1 8.078 0.020 . 1 . . . . . 90 N H . 51533 1 354 . 1 . 1 93 93 ASN C C 13 169.573 0.300 . 1 . . . . . 90 N C . 51533 1 355 . 1 . 1 93 93 ASN CA C 13 48.370 0.300 . 1 . . . . . 90 N CA . 51533 1 356 . 1 . 1 93 93 ASN CB C 13 35.684 0.300 . 1 . . . . . 90 N CB . 51533 1 357 . 1 . 1 93 93 ASN N N 15 118.345 0.300 . 1 . . . . . 90 N N . 51533 1 358 . 1 . 1 101 101 THR H H 1 8.471 0.020 . 1 . . . . . 98 T H . 51533 1 359 . 1 . 1 101 101 THR C C 13 171.658 0.300 . 1 . . . . . 98 T C . 51533 1 360 . 1 . 1 101 101 THR CA C 13 56.534 0.300 . 1 . . . . . 98 T CA . 51533 1 361 . 1 . 1 101 101 THR CB C 13 67.912 0.300 . 1 . . . . . 98 T CB . 51533 1 362 . 1 . 1 101 101 THR N N 15 109.973 0.300 . 1 . . . . . 98 T N . 51533 1 363 . 1 . 1 102 102 LYS H H 1 8.569 0.020 . 1 . . . . . 99 K H . 51533 1 364 . 1 . 1 102 102 LYS C C 13 175.328 0.300 . 1 . . . . . 99 K C . 51533 1 365 . 1 . 1 102 102 LYS CA C 13 57.041 0.300 . 1 . . . . . 99 K CA . 51533 1 366 . 1 . 1 102 102 LYS CB C 13 28.579 0.300 . 1 . . . . . 99 K CB . 51533 1 367 . 1 . 1 102 102 LYS N N 15 118.635 0.300 . 1 . . . . . 99 K N . 51533 1 368 . 1 . 1 103 103 MET H H 1 7.825 0.020 . 1 . . . . . 100 M H . 51533 1 369 . 1 . 1 103 103 MET C C 13 173.368 0.300 . 1 . . . . . 100 M C . 51533 1 370 . 1 . 1 103 103 MET CA C 13 51.258 0.300 . 1 . . . . . 100 M CA . 51533 1 371 . 1 . 1 103 103 MET CB C 13 29.696 0.300 . 1 . . . . . 100 M CB . 51533 1 372 . 1 . 1 103 103 MET N N 15 110.270 0.300 . 1 . . . . . 100 M N . 51533 1 373 . 1 . 1 104 104 SER H H 1 7.678 0.020 . 1 . . . . . 101 S H . 51533 1 374 . 1 . 1 104 104 SER C C 13 170.361 0.300 . 1 . . . . . 101 S C . 51533 1 375 . 1 . 1 104 104 SER CA C 13 54.852 0.300 . 1 . . . . . 101 S CA . 51533 1 376 . 1 . 1 104 104 SER CB C 13 62.358 0.300 . 1 . . . . . 101 S CB . 51533 1 377 . 1 . 1 104 104 SER N N 15 114.681 0.300 . 1 . . . . . 101 S N . 51533 1 378 . 1 . 1 105 105 PHE H H 1 8.869 0.020 . 1 . . . . . 102 F H . 51533 1 379 . 1 . 1 105 105 PHE C C 13 172.518 0.300 . 1 . . . . . 102 F C . 51533 1 380 . 1 . 1 105 105 PHE CA C 13 53.330 0.300 . 1 . . . . . 102 F CA . 51533 1 381 . 1 . 1 105 105 PHE CB C 13 36.815 0.300 . 1 . . . . . 102 F CB . 51533 1 382 . 1 . 1 105 105 PHE N N 15 125.155 0.300 . 1 . . . . . 102 F N . 51533 1 383 . 1 . 1 106 106 GLN H H 1 7.874 0.020 . 1 . . . . . 103 Q H . 51533 1 384 . 1 . 1 106 106 GLN C C 13 168.624 0.300 . 1 . . . . . 103 Q C . 51533 1 385 . 1 . 1 106 106 GLN CA C 13 52.378 0.300 . 1 . . . . . 103 Q CA . 51533 1 386 . 1 . 1 106 106 GLN CB C 13 30.118 0.300 . 1 . . . . . 103 Q CB . 51533 1 387 . 1 . 1 106 106 GLN N N 15 123.098 0.300 . 1 . . . . . 103 Q N . 51533 1 388 . 1 . 1 107 107 TRP H H 1 9.429 0.020 . 1 . . . . . 104 W H . 51533 1 389 . 1 . 1 107 107 TRP C C 13 171.323 0.300 . 1 . . . . . 104 W C . 51533 1 390 . 1 . 1 107 107 TRP CA C 13 54.184 0.300 . 1 . . . . . 104 W CA . 51533 1 391 . 1 . 1 107 107 TRP N N 15 125.267 0.300 . 1 . . . . . 104 W N . 51533 1 392 . 1 . 1 108 108 ARG H H 1 8.726 0.020 . 1 . . . . . 105 R H . 51533 1 393 . 1 . 1 108 108 ARG C C 13 171.754 0.300 . 1 . . . . . 105 R C . 51533 1 394 . 1 . 1 108 108 ARG CA C 13 50.847 0.300 . 1 . . . . . 105 R CA . 51533 1 395 . 1 . 1 108 108 ARG CB C 13 29.724 0.300 . 1 . . . . . 105 R CB . 51533 1 396 . 1 . 1 108 108 ARG N N 15 119.283 0.300 . 1 . . . . . 105 R N . 51533 1 397 . 1 . 1 109 109 ILE H H 1 9.282 0.020 . 1 . . . . . 106 I H . 51533 1 398 . 1 . 1 109 109 ILE C C 13 172.333 0.300 . 1 . . . . . 106 I C . 51533 1 399 . 1 . 1 109 109 ILE CA C 13 57.014 0.300 . 1 . . . . . 106 I CA . 51533 1 400 . 1 . 1 109 109 ILE CB C 13 34.555 0.300 . 1 . . . . . 106 I CB . 51533 1 401 . 1 . 1 109 109 ILE N N 15 123.764 0.300 . 1 . . . . . 106 I N . 51533 1 402 . 1 . 1 110 110 ARG H H 1 8.390 0.020 . 1 . . . . . 107 R H . 51533 1 403 . 1 . 1 110 110 ARG C C 13 172.432 0.300 . 1 . . . . . 107 R C . 51533 1 404 . 1 . 1 110 110 ARG CA C 13 52.262 0.300 . 1 . . . . . 107 R CA . 51533 1 405 . 1 . 1 110 110 ARG N N 15 123.715 0.300 . 1 . . . . . 107 R N . 51533 1 406 . 1 . 1 111 111 ASN H H 1 8.207 0.020 . 1 . . . . . 108 N H . 51533 1 407 . 1 . 1 111 111 ASN C C 13 169.881 0.300 . 1 . . . . . 108 N C . 51533 1 408 . 1 . 1 111 111 ASN CA C 13 50.779 0.300 . 1 . . . . . 108 N CA . 51533 1 409 . 1 . 1 111 111 ASN CB C 13 32.979 0.300 . 1 . . . . . 108 N CB . 51533 1 410 . 1 . 1 111 111 ASN N N 15 113.031 0.300 . 1 . . . . . 108 N N . 51533 1 411 . 1 . 1 112 112 LEU H H 1 8.097 0.020 . 1 . . . . . 109 L H . 51533 1 412 . 1 . 1 112 112 LEU CB C 13 39.344 0.300 . 1 . . . . . 109 L CB . 51533 1 413 . 1 . 1 112 112 LEU N N 15 118.659 0.300 . 1 . . . . . 109 L N . 51533 1 414 . 1 . 1 116 116 LYS H H 1 8.359 0.020 . 1 . . . . . 113 K H . 51533 1 415 . 1 . 1 116 116 LYS C C 13 173.455 0.300 . 1 . . . . . 113 K C . 51533 1 416 . 1 . 1 116 116 LYS CA C 13 56.721 0.300 . 1 . . . . . 113 K CA . 51533 1 417 . 1 . 1 116 116 LYS CB C 13 29.168 0.300 . 1 . . . . . 113 K CB . 51533 1 418 . 1 . 1 116 116 LYS N N 15 116.121 0.300 . 1 . . . . . 113 K N . 51533 1 419 . 1 . 1 117 117 ASP H H 1 8.172 0.020 . 1 . . . . . 114 D H . 51533 1 420 . 1 . 1 117 117 ASP C C 13 173.578 0.300 . 1 . . . . . 114 D C . 51533 1 421 . 1 . 1 117 117 ASP CA C 13 52.316 0.300 . 1 . . . . . 114 D CA . 51533 1 422 . 1 . 1 117 117 ASP CB C 13 37.050 0.300 . 1 . . . . . 114 D CB . 51533 1 423 . 1 . 1 117 117 ASP N N 15 113.813 0.300 . 1 . . . . . 114 D N . 51533 1 424 . 1 . 1 118 118 VAL H H 1 7.876 0.020 . 1 . . . . . 115 V H . 51533 1 425 . 1 . 1 118 118 VAL C C 13 173.036 0.300 . 1 . . . . . 115 V C . 51533 1 426 . 1 . 1 118 118 VAL CA C 13 59.150 0.300 . 1 . . . . . 115 V CA . 51533 1 427 . 1 . 1 118 118 VAL CB C 13 28.476 0.300 . 1 . . . . . 115 V CB . 51533 1 428 . 1 . 1 118 118 VAL N N 15 116.009 0.300 . 1 . . . . . 115 V N . 51533 1 429 . 1 . 1 119 119 TYR H H 1 6.968 0.020 . 1 . . . . . 116 Y H . 51533 1 430 . 1 . 1 119 119 TYR C C 13 172.087 0.300 . 1 . . . . . 116 Y C . 51533 1 431 . 1 . 1 119 119 TYR CA C 13 54.879 0.300 . 1 . . . . . 116 Y CA . 51533 1 432 . 1 . 1 119 119 TYR CB C 13 36.853 0.300 . 1 . . . . . 116 Y CB . 51533 1 433 . 1 . 1 119 119 TYR N N 15 117.493 0.300 . 1 . . . . . 116 Y N . 51533 1 434 . 1 . 1 120 120 SER H H 1 8.556 0.020 . 1 . . . . . 117 S H . 51533 1 435 . 1 . 1 120 120 SER C C 13 169.659 0.300 . 1 . . . . . 117 S C . 51533 1 436 . 1 . 1 120 120 SER CA C 13 54.151 0.300 . 1 . . . . . 117 S CA . 51533 1 437 . 1 . 1 120 120 SER CB C 13 61.850 0.300 . 1 . . . . . 117 S CB . 51533 1 438 . 1 . 1 120 120 SER N N 15 115.205 0.300 . 1 . . . . . 117 S N . 51533 1 439 . 1 . 1 121 121 VAL H H 1 7.965 0.020 . 1 . . . . . 118 V H . 51533 1 440 . 1 . 1 121 121 VAL C C 13 171.155 0.300 . 1 . . . . . 118 V C . 51533 1 441 . 1 . 1 121 121 VAL CA C 13 57.522 0.300 . 1 . . . . . 118 V CA . 51533 1 442 . 1 . 1 121 121 VAL CB C 13 30.512 0.300 . 1 . . . . . 118 V CB . 51533 1 443 . 1 . 1 121 121 VAL N N 15 124.263 0.300 . 1 . . . . . 118 V N . 51533 1 444 . 1 . 1 122 122 SER H H 1 8.591 0.020 . 1 . . . . . 119 S H . 51533 1 445 . 1 . 1 122 122 SER C C 13 168.858 0.300 . 1 . . . . . 119 S C . 51533 1 446 . 1 . 1 122 122 SER CA C 13 54.000 0.300 . 1 . . . . . 119 S CA . 51533 1 447 . 1 . 1 122 122 SER CB C 13 63.363 0.300 . 1 . . . . . 119 S CB . 51533 1 448 . 1 . 1 122 122 SER N N 15 119.497 0.300 . 1 . . . . . 119 S N . 51533 1 449 . 1 . 1 123 123 VAL H H 1 8.782 0.020 . 1 . . . . . 120 V H . 51533 1 450 . 1 . 1 123 123 VAL C C 13 172.432 0.300 . 1 . . . . . 120 V C . 51533 1 451 . 1 . 1 123 123 VAL CA C 13 58.109 0.300 . 1 . . . . . 120 V CA . 51533 1 452 . 1 . 1 123 123 VAL CB C 13 30.183 0.300 . 1 . . . . . 120 V CB . 51533 1 453 . 1 . 1 123 123 VAL N N 15 118.735 0.300 . 1 . . . . . 120 V N . 51533 1 454 . 1 . 1 124 124 ASP H H 1 8.903 0.020 . 1 . . . . . 121 D H . 51533 1 455 . 1 . 1 124 124 ASP C C 13 173.479 0.300 . 1 . . . . . 121 D C . 51533 1 456 . 1 . 1 124 124 ASP CA C 13 49.752 0.300 . 1 . . . . . 121 D CA . 51533 1 457 . 1 . 1 124 124 ASP CB C 13 39.376 0.300 . 1 . . . . . 121 D CB . 51533 1 458 . 1 . 1 124 124 ASP N N 15 126.716 0.300 . 1 . . . . . 121 D N . 51533 1 459 . 1 . 1 125 125 GLN H H 1 8.909 0.020 . 1 . . . . . 122 Q H . 51533 1 460 . 1 . 1 125 125 GLN C C 13 174.367 0.300 . 1 . . . . . 122 Q C . 51533 1 461 . 1 . 1 125 125 GLN CA C 13 55.546 0.300 . 1 . . . . . 122 Q CA . 51533 1 462 . 1 . 1 125 125 GLN CB C 13 25.652 0.300 . 1 . . . . . 122 Q CB . 51533 1 463 . 1 . 1 125 125 GLN N N 15 123.656 0.300 . 1 . . . . . 122 Q N . 51533 1 464 . 1 . 1 126 126 LYS H H 1 8.108 0.020 . 1 . . . . . 123 K H . 51533 1 465 . 1 . 1 126 126 LYS C C 13 175.205 0.300 . 1 . . . . . 123 K C . 51533 1 466 . 1 . 1 126 126 LYS CA C 13 55.733 0.300 . 1 . . . . . 123 K CA . 51533 1 467 . 1 . 1 126 126 LYS CB C 13 28.514 0.300 . 1 . . . . . 123 K CB . 51533 1 468 . 1 . 1 126 126 LYS N N 15 119.249 0.300 . 1 . . . . . 123 K N . 51533 1 469 . 1 . 1 127 127 GLU H H 1 7.935 0.020 . 1 . . . . . 124 E H . 51533 1 470 . 1 . 1 127 127 GLU C C 13 171.914 0.300 . 1 . . . . . 124 E C . 51533 1 471 . 1 . 1 127 127 GLU CA C 13 52.780 0.300 . 1 . . . . . 124 E CA . 51533 1 472 . 1 . 1 127 127 GLU CB C 13 26.440 0.300 . 1 . . . . . 124 E CB . 51533 1 473 . 1 . 1 127 127 GLU N N 15 116.311 0.300 . 1 . . . . . 124 E N . 51533 1 474 . 1 . 1 128 128 ARG H H 1 7.602 0.020 . 1 . . . . . 125 R H . 51533 1 475 . 1 . 1 128 128 ARG C C 13 171.742 0.300 . 1 . . . . . 125 R C . 51533 1 476 . 1 . 1 128 128 ARG CA C 13 53.807 0.300 . 1 . . . . . 125 R CA . 51533 1 477 . 1 . 1 128 128 ARG CB C 13 23.354 0.300 . 1 . . . . . 125 R CB . 51533 1 478 . 1 . 1 128 128 ARG N N 15 115.648 0.300 . 1 . . . . . 125 R N . 51533 1 479 . 1 . 1 129 129 CYS H H 1 7.821 0.020 . 1 . . . . . 126 C H . 51533 1 480 . 1 . 1 129 129 CYS CA C 13 52.312 0.300 . 1 . . . . . 126 C CA . 51533 1 481 . 1 . 1 129 129 CYS CB C 13 29.264 0.300 . 1 . . . . . 126 C CB . 51533 1 482 . 1 . 1 129 129 CYS N N 15 113.585 0.300 . 1 . . . . . 126 C N . 51533 1 483 . 1 . 1 130 130 ILE H H 1 8.523 0.020 . 1 . . . . . 127 I H . 51533 1 484 . 1 . 1 130 130 ILE C C 13 170.558 0.300 . 1 . . . . . 127 I C . 51533 1 485 . 1 . 1 130 130 ILE CA C 13 55.733 0.300 . 1 . . . . . 127 I CA . 51533 1 486 . 1 . 1 130 130 ILE CB C 13 32.847 0.300 . 1 . . . . . 127 I CB . 51533 1 487 . 1 . 1 130 130 ILE N N 15 120.993 0.300 . 1 . . . . . 127 I N . 51533 1 488 . 1 . 1 131 131 ILE H H 1 8.580 0.020 . 1 . . . . . 128 I H . 51533 1 489 . 1 . 1 131 131 ILE C C 13 172.345 0.300 . 1 . . . . . 128 I C . 51533 1 490 . 1 . 1 131 131 ILE CA C 13 56.694 0.300 . 1 . . . . . 128 I CA . 51533 1 491 . 1 . 1 131 131 ILE CB C 13 36.525 0.300 . 1 . . . . . 128 I CB . 51533 1 492 . 1 . 1 131 131 ILE N N 15 123.466 0.300 . 1 . . . . . 128 I N . 51533 1 493 . 1 . 1 132 132 VAL H H 1 9.169 0.020 . 1 . . . . . 129 V H . 51533 1 494 . 1 . 1 132 132 VAL C C 13 170.558 0.300 . 1 . . . . . 129 V C . 51533 1 495 . 1 . 1 132 132 VAL CA C 13 57.709 0.300 . 1 . . . . . 129 V CA . 51533 1 496 . 1 . 1 132 132 VAL CB C 13 29.499 0.300 . 1 . . . . . 129 V CB . 51533 1 497 . 1 . 1 132 132 VAL N N 15 128.709 0.300 . 1 . . . . . 129 V N . 51533 1 498 . 1 . 1 133 133 ARG H H 1 8.763 0.020 . 1 . . . . . 130 R H . 51533 1 499 . 1 . 1 133 133 ARG C C 13 172.456 0.300 . 1 . . . . . 130 R C . 51533 1 500 . 1 . 1 133 133 ARG CA C 13 50.794 0.300 . 1 . . . . . 130 R CA . 51533 1 501 . 1 . 1 133 133 ARG CB C 13 30.803 0.300 . 1 . . . . . 130 R CB . 51533 1 502 . 1 . 1 133 133 ARG N N 15 122.165 0.300 . 1 . . . . . 130 R N . 51533 1 503 . 1 . 1 134 134 THR H H 1 8.292 0.020 . 1 . . . . . 131 T H . 51533 1 504 . 1 . 1 134 134 THR C C 13 175.131 0.300 . 1 . . . . . 131 T C . 51533 1 505 . 1 . 1 134 134 THR CA C 13 54.825 0.300 . 1 . . . . . 131 T CA . 51533 1 506 . 1 . 1 134 134 THR CB C 13 69.028 0.300 . 1 . . . . . 131 T CB . 51533 1 507 . 1 . 1 134 134 THR N N 15 105.868 0.300 . 1 . . . . . 131 T N . 51533 1 508 . 1 . 1 135 135 THR H H 1 9.429 0.020 . 1 . . . . . 132 T H . 51533 1 509 . 1 . 1 135 135 THR C C 13 172.185 0.300 . 1 . . . . . 132 T C . 51533 1 510 . 1 . 1 135 135 THR CA C 13 61.206 0.300 . 1 . . . . . 132 T CA . 51533 1 511 . 1 . 1 135 135 THR CB C 13 65.023 0.300 . 1 . . . . . 132 T CB . 51533 1 512 . 1 . 1 135 135 THR N N 15 117.024 0.300 . 1 . . . . . 132 T N . 51533 1 513 . 1 . 1 136 136 ASN H H 1 6.744 0.020 . 1 . . . . . 133 N H . 51533 1 514 . 1 . 1 136 136 ASN C C 13 171.261 0.300 . 1 . . . . . 133 N C . 51533 1 515 . 1 . 1 136 136 ASN CA C 13 48.631 0.300 . 1 . . . . . 133 N CA . 51533 1 516 . 1 . 1 136 136 ASN CB C 13 33.860 0.300 . 1 . . . . . 133 N CB . 51533 1 517 . 1 . 1 136 136 ASN N N 15 114.423 0.300 . 1 . . . . . 133 N N . 51533 1 518 . 1 . 1 137 137 LYS H H 1 7.575 0.020 . 1 . . . . . 134 K H . 51533 1 519 . 1 . 1 137 137 LYS C C 13 173.146 0.300 . 1 . . . . . 134 K C . 51533 1 520 . 1 . 1 137 137 LYS CA C 13 54.478 0.300 . 1 . . . . . 134 K CA . 51533 1 521 . 1 . 1 137 137 LYS CB C 13 25.784 0.300 . 1 . . . . . 134 K CB . 51533 1 522 . 1 . 1 137 137 LYS N N 15 113.017 0.300 . 1 . . . . . 134 K N . 51533 1 523 . 1 . 1 138 138 LYS H H 1 7.394 0.020 . 1 . . . . . 135 K H . 51533 1 524 . 1 . 1 138 138 LYS C C 13 173.405 0.300 . 1 . . . . . 135 K C . 51533 1 525 . 1 . 1 138 138 LYS CA C 13 53.290 0.300 . 1 . . . . . 135 K CA . 51533 1 526 . 1 . 1 138 138 LYS CB C 13 28.908 0.300 . 1 . . . . . 135 K CB . 51533 1 527 . 1 . 1 138 138 LYS N N 15 116.861 0.300 . 1 . . . . . 135 K N . 51533 1 528 . 1 . 1 139 139 TYR H H 1 7.828 0.020 . 1 . . . . . 136 Y H . 51533 1 529 . 1 . 1 139 139 TYR C C 13 169.326 0.300 . 1 . . . . . 136 Y C . 51533 1 530 . 1 . 1 139 139 TYR CA C 13 55.984 0.300 . 1 . . . . . 136 Y CA . 51533 1 531 . 1 . 1 139 139 TYR CB C 13 38.954 0.300 . 1 . . . . . 136 Y CB . 51533 1 532 . 1 . 1 139 139 TYR N N 15 118.438 0.300 . 1 . . . . . 136 Y N . 51533 1 533 . 1 . 1 140 140 TYR H H 1 6.986 0.020 . 1 . . . . . 137 Y H . 51533 1 534 . 1 . 1 140 140 TYR C C 13 169.659 0.300 . 1 . . . . . 137 Y C . 51533 1 535 . 1 . 1 140 140 TYR CA C 13 53.410 0.300 . 1 . . . . . 137 Y CA . 51533 1 536 . 1 . 1 140 140 TYR CB C 13 38.823 0.300 . 1 . . . . . 137 Y CB . 51533 1 537 . 1 . 1 140 140 TYR N N 15 129.122 0.300 . 1 . . . . . 137 Y N . 51533 1 538 . 1 . 1 141 141 LYS H H 1 7.906 0.020 . 1 . . . . . 138 K H . 51533 1 539 . 1 . 1 141 141 LYS CA C 13 51.968 0.300 . 1 . . . . . 138 K CA . 51533 1 540 . 1 . 1 141 141 LYS CB C 13 33.110 0.300 . 1 . . . . . 138 K CB . 51533 1 541 . 1 . 1 141 141 LYS N N 15 126.951 0.300 . 1 . . . . . 138 K N . 51533 1 542 . 1 . 1 142 142 LYS H H 1 8.084 0.020 . 1 . . . . . 139 K H . 51533 1 543 . 1 . 1 142 142 LYS C C 13 172.345 0.300 . 1 . . . . . 139 K C . 51533 1 544 . 1 . 1 142 142 LYS CA C 13 51.061 0.300 . 1 . . . . . 139 K CA . 51533 1 545 . 1 . 1 142 142 LYS CB C 13 31.861 0.300 . 1 . . . . . 139 K CB . 51533 1 546 . 1 . 1 142 142 LYS N N 15 126.097 0.300 . 1 . . . . . 139 K N . 51533 1 547 . 1 . 1 143 143 PHE H H 1 8.562 0.020 . 1 . . . . . 140 F H . 51533 1 548 . 1 . 1 143 143 PHE C C 13 168.956 0.300 . 1 . . . . . 140 F C . 51533 1 549 . 1 . 1 143 143 PHE CA C 13 52.863 0.300 . 1 . . . . . 140 F CA . 51533 1 550 . 1 . 1 143 143 PHE CB C 13 37.179 0.300 . 1 . . . . . 140 F CB . 51533 1 551 . 1 . 1 143 143 PHE N N 15 119.736 0.300 . 1 . . . . . 140 F N . 51533 1 552 . 1 . 1 144 144 SER H H 1 8.376 0.020 . 1 . . . . . 141 S H . 51533 1 553 . 1 . 1 144 144 SER C C 13 169.449 0.300 . 1 . . . . . 141 S C . 51533 1 554 . 1 . 1 144 144 SER CA C 13 53.998 0.300 . 1 . . . . . 141 S CA . 51533 1 555 . 1 . 1 144 144 SER CB C 13 62.706 0.300 . 1 . . . . . 141 S CB . 51533 1 556 . 1 . 1 144 144 SER N N 15 115.876 0.300 . 1 . . . . . 141 S N . 51533 1 557 . 1 . 1 145 145 ILE H H 1 9.587 0.020 . 1 . . . . . 142 I H . 51533 1 558 . 1 . 1 145 145 ILE C C 13 170.879 0.300 . 1 . . . . . 142 I C . 51533 1 559 . 1 . 1 145 145 ILE CA C 13 56.000 0.300 . 1 . . . . . 142 I CA . 51533 1 560 . 1 . 1 145 145 ILE CB C 13 32.782 0.300 . 1 . . . . . 142 I CB . 51533 1 561 . 1 . 1 145 145 ILE N N 15 118.645 0.300 . 1 . . . . . 142 I N . 51533 1 562 . 1 . 1 155 155 LEU H H 1 8.295 0.020 . 1 . . . . . 152 L H . 51533 1 563 . 1 . 1 155 155 LEU C C 13 173.455 0.300 . 1 . . . . . 152 L C . 51533 1 564 . 1 . 1 155 155 LEU CA C 13 52.209 0.300 . 1 . . . . . 152 L CA . 51533 1 565 . 1 . 1 155 155 LEU CB C 13 40.578 0.300 . 1 . . . . . 152 L CB . 51533 1 566 . 1 . 1 155 155 LEU N N 15 120.020 0.300 . 1 . . . . . 152 L N . 51533 1 567 . 1 . 1 156 156 ASP H H 1 8.948 0.020 . 1 . . . . . 153 D H . 51533 1 568 . 1 . 1 156 156 ASP C C 13 172.555 0.300 . 1 . . . . . 153 D C . 51533 1 569 . 1 . 1 156 156 ASP CA C 13 49.913 0.300 . 1 . . . . . 153 D CA . 51533 1 570 . 1 . 1 156 156 ASP CB C 13 40.821 0.300 . 1 . . . . . 153 D CB . 51533 1 571 . 1 . 1 156 156 ASP N N 15 121.227 0.300 . 1 . . . . . 153 D N . 51533 1 572 . 1 . 1 157 157 ASP H H 1 8.753 0.020 . 1 . . . . . 154 D H . 51533 1 573 . 1 . 1 157 157 ASP C C 13 174.946 0.300 . 1 . . . . . 154 D C . 51533 1 574 . 1 . 1 157 157 ASP CA C 13 54.184 0.300 . 1 . . . . . 154 D CA . 51533 1 575 . 1 . 1 157 157 ASP CB C 13 37.997 0.300 . 1 . . . . . 154 D CB . 51533 1 576 . 1 . 1 157 157 ASP N N 15 123.685 0.300 . 1 . . . . . 154 D N . 51533 1 577 . 1 . 1 158 158 ALA H H 1 8.315 0.020 . 1 . . . . . 155 A H . 51533 1 578 . 1 . 1 158 158 ALA C C 13 175.870 0.300 . 1 . . . . . 155 A C . 51533 1 579 . 1 . 1 158 158 ALA CA C 13 50.934 0.300 . 1 . . . . . 155 A CA . 51533 1 580 . 1 . 1 158 158 ALA CB C 13 14.818 0.300 . 1 . . . . . 155 A CB . 51533 1 581 . 1 . 1 158 158 ALA N N 15 119.948 0.300 . 1 . . . . . 155 A N . 51533 1 582 . 1 . 1 159 159 SER H H 1 7.413 0.020 . 1 . . . . . 156 S H . 51533 1 583 . 1 . 1 159 159 SER C C 13 169.351 0.300 . 1 . . . . . 156 S C . 51533 1 584 . 1 . 1 159 159 SER CA C 13 56.774 0.300 . 1 . . . . . 156 S CA . 51533 1 585 . 1 . 1 159 159 SER CB C 13 59.798 0.300 . 1 . . . . . 156 S CB . 51533 1 586 . 1 . 1 159 159 SER N N 15 112.540 0.300 . 1 . . . . . 156 S N . 51533 1 587 . 1 . 1 160 160 LEU H H 1 7.374 0.020 . 1 . . . . . 157 L H . 51533 1 588 . 1 . 1 160 160 LEU C C 13 171.742 0.300 . 1 . . . . . 157 L C . 51533 1 589 . 1 . 1 160 160 LEU CA C 13 51.167 0.300 . 1 . . . . . 157 L CA . 51533 1 590 . 1 . 1 160 160 LEU CB C 13 41.778 0.300 . 1 . . . . . 157 L CB . 51533 1 591 . 1 . 1 160 160 LEU N N 15 124.986 0.300 . 1 . . . . . 157 L N . 51533 1 592 . 1 . 1 161 161 SER H H 1 9.387 0.020 . 1 . . . . . 158 S H . 51533 1 593 . 1 . 1 161 161 SER C C 13 168.808 0.300 . 1 . . . . . 158 S C . 51533 1 594 . 1 . 1 161 161 SER CA C 13 54.852 0.300 . 1 . . . . . 158 S CA . 51533 1 595 . 1 . 1 161 161 SER CB C 13 63.184 0.300 . 1 . . . . . 158 S CB . 51533 1 596 . 1 . 1 161 161 SER N N 15 119.181 0.300 . 1 . . . . . 158 S N . 51533 1 597 . 1 . 1 162 162 PHE H H 1 8.468 0.020 . 1 . . . . . 159 F H . 51533 1 598 . 1 . 1 162 162 PHE C C 13 169.141 0.300 . 1 . . . . . 159 F C . 51533 1 599 . 1 . 1 162 162 PHE CA C 13 53.335 0.300 . 1 . . . . . 159 F CA . 51533 1 600 . 1 . 1 162 162 PHE CB C 13 39.020 0.300 . 1 . . . . . 159 F CB . 51533 1 601 . 1 . 1 162 162 PHE N N 15 114.300 0.300 . 1 . . . . . 159 F N . 51533 1 602 . 1 . 1 163 163 ALA H H 1 9.189 0.020 . 1 . . . . . 160 A H . 51533 1 603 . 1 . 1 163 163 ALA C C 13 171.483 0.300 . 1 . . . . . 160 A C . 51533 1 604 . 1 . 1 163 163 ALA CA C 13 47.777 0.300 . 1 . . . . . 160 A CA . 51533 1 605 . 1 . 1 163 163 ALA CB C 13 19.874 0.300 . 1 . . . . . 160 A CB . 51533 1 606 . 1 . 1 163 163 ALA N N 15 122.769 0.300 . 1 . . . . . 160 A N . 51533 1 607 . 1 . 1 164 164 HIS H H 1 8.855 0.020 . 1 . . . . . 161 H H . 51533 1 608 . 1 . 1 164 164 HIS C C 13 170.448 0.300 . 1 . . . . . 161 H C . 51533 1 609 . 1 . 1 164 164 HIS CA C 13 53.410 0.300 . 1 . . . . . 161 H CA . 51533 1 610 . 1 . 1 164 164 HIS CB C 13 31.260 0.300 . 1 . . . . . 161 H CB . 51533 1 611 . 1 . 1 164 164 HIS N N 15 120.771 0.300 . 1 . . . . . 161 H N . 51533 1 612 . 1 . 1 165 165 ALA H H 1 8.087 0.020 . 1 . . . . . 162 A H . 51533 1 613 . 1 . 1 165 165 ALA C C 13 173.837 0.300 . 1 . . . . . 162 A C . 51533 1 614 . 1 . 1 165 165 ALA CA C 13 48.711 0.300 . 1 . . . . . 162 A CA . 51533 1 615 . 1 . 1 165 165 ALA CB C 13 18.167 0.300 . 1 . . . . . 162 A CB . 51533 1 616 . 1 . 1 165 165 ALA N N 15 127.224 0.300 . 1 . . . . . 162 A N . 51533 1 617 . 1 . 1 166 166 ASN H H 1 9.344 0.020 . 1 . . . . . 163 N H . 51533 1 618 . 1 . 1 166 166 ASN CA C 13 51.354 0.300 . 1 . . . . . 163 N CA . 51533 1 619 . 1 . 1 166 166 ASN CB C 13 33.729 0.300 . 1 . . . . . 163 N CB . 51533 1 620 . 1 . 1 166 166 ASN N N 15 121.584 0.300 . 1 . . . . . 163 N N . 51533 1 621 . 1 . 1 167 167 CYS H H 1 9.084 0.020 . 1 . . . . . 164 C H . 51533 1 622 . 1 . 1 167 167 CYS CA C 13 56.988 0.300 . 1 . . . . . 164 C CA . 51533 1 623 . 1 . 1 167 167 CYS N N 15 112.668 0.300 . 1 . . . . . 164 C N . 51533 1 624 . 1 . 1 168 168 THR H H 1 7.112 0.020 . 1 . . . . . 165 T H . 51533 1 625 . 1 . 1 168 168 THR C C 13 168.525 0.300 . 1 . . . . . 165 T C . 51533 1 626 . 1 . 1 168 168 THR CA C 13 57.976 0.300 . 1 . . . . . 165 T CA . 51533 1 627 . 1 . 1 168 168 THR CB C 13 68.465 0.300 . 1 . . . . . 165 T CB . 51533 1 628 . 1 . 1 168 168 THR N N 15 114.449 0.300 . 1 . . . . . 165 T N . 51533 1 629 . 1 . 1 169 169 LEU H H 1 8.707 0.020 . 1 . . . . . 166 L H . 51533 1 630 . 1 . 1 169 169 LEU C C 13 171.150 0.300 . 1 . . . . . 166 L C . 51533 1 631 . 1 . 1 169 169 LEU CA C 13 50.369 0.300 . 1 . . . . . 166 L CA . 51533 1 632 . 1 . 1 169 169 LEU CB C 13 41.477 0.300 . 1 . . . . . 166 L CB . 51533 1 633 . 1 . 1 169 169 LEU N N 15 128.094 0.300 . 1 . . . . . 166 L N . 51533 1 634 . 1 . 1 170 170 ILE H H 1 9.224 0.020 . 1 . . . . . 167 I H . 51533 1 635 . 1 . 1 170 170 ILE C C 13 173.146 0.300 . 1 . . . . . 167 I C . 51533 1 636 . 1 . 1 170 170 ILE CA C 13 57.655 0.300 . 1 . . . . . 167 I CA . 51533 1 637 . 1 . 1 170 170 ILE CB C 13 36.065 0.300 . 1 . . . . . 167 I CB . 51533 1 638 . 1 . 1 170 170 ILE N N 15 127.507 0.300 . 1 . . . . . 167 I N . 51533 1 639 . 1 . 1 171 171 ILE H H 1 9.574 0.020 . 1 . . . . . 168 I H . 51533 1 640 . 1 . 1 171 171 ILE C C 13 171.286 0.300 . 1 . . . . . 168 I C . 51533 1 641 . 1 . 1 171 171 ILE CA C 13 57.762 0.300 . 1 . . . . . 168 I CA . 51533 1 642 . 1 . 1 171 171 ILE CB C 13 37.838 0.300 . 1 . . . . . 168 I CB . 51533 1 643 . 1 . 1 171 171 ILE N N 15 130.075 0.300 . 1 . . . . . 168 I N . 51533 1 644 . 1 . 1 172 172 SER H H 1 9.385 0.020 . 1 . . . . . 169 S H . 51533 1 645 . 1 . 1 172 172 SER C C 13 168.808 0.300 . 1 . . . . . 169 S C . 51533 1 646 . 1 . 1 172 172 SER CA C 13 54.692 0.300 . 1 . . . . . 169 S CA . 51533 1 647 . 1 . 1 172 172 SER CB C 13 62.752 0.300 . 1 . . . . . 169 S CB . 51533 1 648 . 1 . 1 172 172 SER N N 15 121.953 0.300 . 1 . . . . . 169 S N . 51533 1 649 . 1 . 1 173 173 TYR H H 1 9.583 0.020 . 1 . . . . . 170 Y H . 51533 1 650 . 1 . 1 173 173 TYR C C 13 172.050 0.300 . 1 . . . . . 170 Y C . 51533 1 651 . 1 . 1 173 173 TYR CA C 13 53.298 0.300 . 1 . . . . . 170 Y CA . 51533 1 652 . 1 . 1 173 173 TYR CB C 13 38.888 0.300 . 1 . . . . . 170 Y CB . 51533 1 653 . 1 . 1 173 173 TYR N N 15 126.305 0.300 . 1 . . . . . 170 Y N . 51533 1 654 . 1 . 1 174 174 GLN H H 1 8.332 0.020 . 1 . . . . . 171 Q H . 51533 1 655 . 1 . 1 174 174 GLN C C 13 172.555 0.300 . 1 . . . . . 171 Q C . 51533 1 656 . 1 . 1 174 174 GLN CA C 13 54.104 0.300 . 1 . . . . . 171 Q CA . 51533 1 657 . 1 . 1 174 174 GLN CB C 13 25.193 0.300 . 1 . . . . . 171 Q CB . 51533 1 658 . 1 . 1 174 174 GLN N N 15 128.750 0.300 . 1 . . . . . 171 Q N . 51533 1 659 . 1 . 1 175 175 LYS H H 1 8.507 0.020 . 1 . . . . . 172 K H . 51533 1 660 . 1 . 1 175 175 LYS C C 13 171.384 0.300 . 1 . . . . . 172 K C . 51533 1 661 . 1 . 1 175 175 LYS CA C 13 52.609 0.300 . 1 . . . . . 172 K CA . 51533 1 662 . 1 . 1 175 175 LYS CB C 13 29.067 0.300 . 1 . . . . . 172 K CB . 51533 1 663 . 1 . 1 175 175 LYS N N 15 126.578 0.300 . 1 . . . . . 172 K N . 51533 1 664 . 1 . 1 177 177 LYS H H 1 9.078 0.020 . 1 . . . . . 174 K H . 51533 1 665 . 1 . 1 177 177 LYS C C 13 174.157 0.300 . 1 . . . . . 174 K C . 51533 1 666 . 1 . 1 177 177 LYS CA C 13 56.721 0.300 . 1 . . . . . 174 K CA . 51533 1 667 . 1 . 1 177 177 LYS CB C 13 28.607 0.300 . 1 . . . . . 174 K CB . 51533 1 668 . 1 . 1 177 177 LYS N N 15 124.358 0.300 . 1 . . . . . 174 K N . 51533 1 669 . 1 . 1 178 178 GLU H H 1 9.847 0.020 . 1 . . . . . 175 E H . 51533 1 670 . 1 . 1 178 178 GLU C C 13 176.905 0.300 . 1 . . . . . 175 E C . 51533 1 671 . 1 . 1 178 178 GLU CA C 13 57.629 0.300 . 1 . . . . . 175 E CA . 51533 1 672 . 1 . 1 178 178 GLU CB C 13 25.756 0.300 . 1 . . . . . 175 E CB . 51533 1 673 . 1 . 1 178 178 GLU N N 15 116.234 0.300 . 1 . . . . . 175 E N . 51533 1 674 . 1 . 1 179 179 VAL H H 1 7.162 0.020 . 1 . . . . . 176 V H . 51533 1 675 . 1 . 1 179 179 VAL C C 13 172.925 0.300 . 1 . . . . . 176 V C . 51533 1 676 . 1 . 1 179 179 VAL CA C 13 62.026 0.300 . 1 . . . . . 176 V CA . 51533 1 677 . 1 . 1 179 179 VAL CB C 13 28.251 0.300 . 1 . . . . . 176 V CB . 51533 1 678 . 1 . 1 179 179 VAL N N 15 117.144 0.300 . 1 . . . . . 176 V N . 51533 1 679 . 1 . 1 180 180 VAL H H 1 7.556 0.020 . 1 . . . . . 177 V H . 51533 1 680 . 1 . 1 180 180 VAL C C 13 176.548 0.300 . 1 . . . . . 177 V C . 51533 1 681 . 1 . 1 180 180 VAL CA C 13 63.369 0.300 . 1 . . . . . 177 V CA . 51533 1 682 . 1 . 1 180 180 VAL CB C 13 28.382 0.300 . 1 . . . . . 177 V CB . 51533 1 683 . 1 . 1 180 180 VAL N N 15 121.386 0.300 . 1 . . . . . 177 V N . 51533 1 684 . 1 . 1 181 181 VAL H H 1 8.477 0.020 . 1 . . . . . 178 V H . 51533 1 685 . 1 . 1 181 181 VAL C C 13 174.970 0.300 . 1 . . . . . 178 V C . 51533 1 686 . 1 . 1 181 181 VAL CA C 13 62.921 0.300 . 1 . . . . . 178 V CA . 51533 1 687 . 1 . 1 181 181 VAL CB C 13 28.514 0.300 . 1 . . . . . 178 V CB . 51533 1 688 . 1 . 1 181 181 VAL N N 15 119.272 0.300 . 1 . . . . . 178 V N . 51533 1 689 . 1 . 1 182 182 ALA H H 1 7.522 0.020 . 1 . . . . . 179 A H . 51533 1 690 . 1 . 1 182 182 ALA C C 13 177.521 0.300 . 1 . . . . . 179 A C . 51533 1 691 . 1 . 1 182 182 ALA CA C 13 52.422 0.300 . 1 . . . . . 179 A CA . 51533 1 692 . 1 . 1 182 182 ALA CB C 13 15.249 0.300 . 1 . . . . . 179 A CB . 51533 1 693 . 1 . 1 182 182 ALA N N 15 122.666 0.300 . 1 . . . . . 179 A N . 51533 1 694 . 1 . 1 194 194 LYS H H 1 8.495 0.020 . 1 . . . . . 191 K H . 51533 1 695 . 1 . 1 194 194 LYS C C 13 173.023 0.300 . 1 . . . . . 191 K C . 51533 1 696 . 1 . 1 194 194 LYS CA C 13 53.757 0.300 . 1 . . . . . 191 K CA . 51533 1 697 . 1 . 1 194 194 LYS CB C 13 28.936 0.300 . 1 . . . . . 191 K CB . 51533 1 698 . 1 . 1 194 194 LYS N N 15 127.821 0.300 . 1 . . . . . 191 K N . 51533 1 699 . 1 . 1 195 195 THR H H 1 8.284 0.020 . 1 . . . . . 192 T H . 51533 1 700 . 1 . 1 195 195 THR C C 13 170.854 0.300 . 1 . . . . . 192 T C . 51533 1 701 . 1 . 1 195 195 THR CA C 13 58.577 0.300 . 1 . . . . . 192 T CA . 51533 1 702 . 1 . 1 195 195 THR CB C 13 66.955 0.300 . 1 . . . . . 192 T CB . 51533 1 703 . 1 . 1 195 195 THR N N 15 118.244 0.300 . 1 . . . . . 192 T N . 51533 1 704 . 1 . 1 196 196 ALA H H 1 8.285 0.020 . 1 . . . . . 193 A H . 51533 1 705 . 1 . 1 196 196 ALA C C 13 173.652 0.300 . 1 . . . . . 193 A C . 51533 1 706 . 1 . 1 196 196 ALA CA C 13 49.005 0.300 . 1 . . . . . 193 A CA . 51533 1 707 . 1 . 1 196 196 ALA CB C 13 16.328 0.300 . 1 . . . . . 193 A CB . 51533 1 708 . 1 . 1 196 196 ALA N N 15 127.479 0.300 . 1 . . . . . 193 A N . 51533 1 709 . 1 . 1 197 197 HIS H H 1 8.488 0.020 . 1 . . . . . 194 H H . 51533 1 710 . 1 . 1 197 197 HIS C C 13 171.483 0.300 . 1 . . . . . 194 H C . 51533 1 711 . 1 . 1 197 197 HIS CA C 13 52.369 0.300 . 1 . . . . . 194 H CA . 51533 1 712 . 1 . 1 197 197 HIS CB C 13 26.609 0.300 . 1 . . . . . 194 H CB . 51533 1 713 . 1 . 1 197 197 HIS N N 15 117.819 0.300 . 1 . . . . . 194 H N . 51533 1 714 . 1 . 1 198 198 SER H H 1 8.290 0.020 . 1 . . . . . 195 S H . 51533 1 715 . 1 . 1 198 198 SER C C 13 170.953 0.300 . 1 . . . . . 195 S C . 51533 1 716 . 1 . 1 198 198 SER CA C 13 55.359 0.300 . 1 . . . . . 195 S CA . 51533 1 717 . 1 . 1 198 198 SER CB C 13 61.004 0.300 . 1 . . . . . 195 S CB . 51533 1 718 . 1 . 1 198 198 SER N N 15 117.060 0.300 . 1 . . . . . 195 S N . 51533 1 719 . 1 . 1 199 199 ASN H H 1 8.629 0.020 . 1 . . . . . 196 N H . 51533 1 720 . 1 . 1 199 199 ASN C C 13 171.729 0.300 . 1 . . . . . 196 N C . 51533 1 721 . 1 . 1 199 199 ASN CA C 13 50.180 0.300 . 1 . . . . . 196 N CA . 51533 1 722 . 1 . 1 199 199 ASN CB C 13 35.737 0.300 . 1 . . . . . 196 N CB . 51533 1 723 . 1 . 1 199 199 ASN N N 15 120.872 0.300 . 1 . . . . . 196 N N . 51533 1 724 . 1 . 1 200 200 ASP H H 1 8.252 0.020 . 1 . . . . . 197 D H . 51533 1 725 . 1 . 1 200 200 ASP C C 13 173.479 0.300 . 1 . . . . . 197 D C . 51533 1 726 . 1 . 1 200 200 ASP CA C 13 51.755 0.300 . 1 . . . . . 197 D CA . 51533 1 727 . 1 . 1 200 200 ASP CB C 13 37.838 0.300 . 1 . . . . . 197 D CB . 51533 1 728 . 1 . 1 200 200 ASP N N 15 120.713 0.300 . 1 . . . . . 197 D N . 51533 1 729 . 1 . 1 201 201 GLY H H 1 8.301 0.020 . 1 . . . . . 198 G H . 51533 1 730 . 1 . 1 201 201 GLY C C 13 170.805 0.300 . 1 . . . . . 198 G C . 51533 1 731 . 1 . 1 201 201 GLY CA C 13 42.437 0.300 . 1 . . . . . 198 G CA . 51533 1 732 . 1 . 1 201 201 GLY N N 15 108.842 0.300 . 1 . . . . . 198 G N . 51533 1 733 . 1 . 1 202 202 ASP H H 1 8.147 0.020 . 1 . . . . . 199 D H . 51533 1 734 . 1 . 1 202 202 ASP C C 13 172.962 0.300 . 1 . . . . . 199 D C . 51533 1 735 . 1 . 1 202 202 ASP CA C 13 51.328 0.300 . 1 . . . . . 199 D CA . 51533 1 736 . 1 . 1 202 202 ASP CB C 13 37.932 0.300 . 1 . . . . . 199 D CB . 51533 1 737 . 1 . 1 202 202 ASP N N 15 120.377 0.300 . 1 . . . . . 199 D N . 51533 1 738 . 1 . 1 203 203 CYS H H 1 8.225 0.020 . 1 . . . . . 200 C H . 51533 1 739 . 1 . 1 203 203 CYS C C 13 171.409 0.300 . 1 . . . . . 200 C C . 51533 1 740 . 1 . 1 203 203 CYS CA C 13 55.529 0.300 . 1 . . . . . 200 C CA . 51533 1 741 . 1 . 1 203 203 CYS CB C 13 24.864 0.300 . 1 . . . . . 200 C CB . 51533 1 742 . 1 . 1 203 203 CYS N N 15 119.253 0.300 . 1 . . . . . 200 C N . 51533 1 743 . 1 . 1 204 204 LYS H H 1 8.385 0.020 . 1 . . . . . 201 K H . 51533 1 744 . 1 . 1 204 204 LYS CA C 13 53.303 0.300 . 1 . . . . . 201 K CA . 51533 1 745 . 1 . 1 204 204 LYS CB C 13 29.461 0.300 . 1 . . . . . 201 K CB . 51533 1 746 . 1 . 1 204 204 LYS N N 15 123.776 0.300 . 1 . . . . . 201 K N . 51533 1 747 . 1 . 1 205 205 THR H H 1 8.128 0.020 . 1 . . . . . 202 T H . 51533 1 748 . 1 . 1 205 205 THR CA C 13 58.785 0.300 . 1 . . . . . 202 T CA . 51533 1 749 . 1 . 1 205 205 THR CB C 13 66.599 0.300 . 1 . . . . . 202 T CB . 51533 1 750 . 1 . 1 205 205 THR N N 15 115.373 0.300 . 1 . . . . . 202 T N . 51533 1 751 . 1 . 1 206 206 GLN H H 1 7.917 0.020 . 1 . . . . . 203 Q H . 51533 1 752 . 1 . 1 206 206 GLN CA C 13 54.238 0.300 . 1 . . . . . 203 Q CA . 51533 1 753 . 1 . 1 206 206 GLN CB C 13 26.806 0.300 . 1 . . . . . 203 Q CB . 51533 1 754 . 1 . 1 206 206 GLN N N 15 127.071 0.300 . 1 . . . . . 203 Q N . 51533 1 stop_ save_