data_4844 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4844 _Entry.Title ; Backbone HN, N , Ca, C' and Cb assignment of the 25 kDa peptide methionine sulfoxide reductase from Erwinia chrysanthemi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-29 _Entry.Accession_date 2000-09-29 _Entry.Last_release_date 2001-05-17 _Entry.Original_release_date 2001-05-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sabine Beraud . B. . 4844 2 Jean-Pierre Chambost . . . 4844 3 Beate Bersch . . . 4844 4 Pierre Gans . J.R. . 4844 5 Frederic Barras . . . 4844 6 Dominique Marion . . . 4844 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4844 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 198 4844 '13C chemical shifts' 612 4844 '15N chemical shifts' 198 4844 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-05-17 2000-09-29 original author . 4844 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4844 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone HN, N, Ca, C? and Cb assignment of the 25 kDa peptide methionine sulfoxide reductase from Erwinia chrysanthemi ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 97 _Citation.Page_last 98 _Citation.Year 2001 _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.Entry_ID _Citation_author.Citation_ID 1 Sabine Beraud . B. . 4844 1 2 Jean-Pierre Chambost . . . 4844 1 3 Beate Bersch . . . 4844 1 4 Pierre Gans . J.R. . 4844 1 5 Frederic Barras . . . 4844 1 6 Dominique Marion . . . 4844 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'methionine sulfoxide reductase' 4844 1 'heteronuclear NMR assignment' 4844 1 deuteration 4844 1 'protein repair' 4844 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_pmsr _Assembly.Sf_category assembly _Assembly.Sf_framecode system_pmsr _Assembly.Entry_ID 4844 _Assembly.ID 1 _Assembly.Name 'methionine sulfoxide reductase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4844 1 stop_ 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 pmsr 1 $pmsr . . . native . . . . . 4844 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes GenBank Q9ZEQ8 . . . . . . 4844 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'methionine sulfoxide reductase' system 4844 1 pmsr abbreviation 4844 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pmsr _Entity.Sf_category entity _Entity.Sf_framecode pmsr _Entity.Entry_ID 4844 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'methionine sulfoxide reductase' _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 ; VIANFDKTQPIGQSDALPGR TTPMPVARLHVVNQHSMTHV PDHMEVAIFAMGCFWGVERL FWQQPGVYSTASGYCGGYTP NPTYREVCTGKTGHAEAVRV VFDPAVVSYPQLLQLFWENH NPAQGMRQGNDIGTQYRSAI YTLTTEQETAAKESYQRFQQ AMRDAGNDHDITTEIQPAGP FYYAEDEHQQYLHKNPDGYC GLGGIGVCLPPQGLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 221 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 no EMBL CAA10143 . "protein-methionine-s-oxide reductase [Dickeya chrysanthemi]" . . . . . 96.38 213 99.53 100.00 4.15e-157 . . . . 4844 1 2 no GB ADM99860 . "methionine sulfoxide reductase A [Dickeya dadantii 3937]" . . . . . 96.38 213 99.53 100.00 4.15e-157 . . . . 4844 1 3 no REF WP_013319285 . "methionine sulfoxide reductase A [Dickeya dadantii]" . . . . . 96.38 213 99.53 100.00 4.15e-157 . . . . 4844 1 4 no REF WP_038924815 . "methionine sulfoxide reductase A [Dickeya dadantii]" . . . . . 95.93 212 99.06 99.53 8.85e-156 . . . . 4844 1 5 no SP Q9ZEQ8 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 96.38 213 99.53 100.00 4.15e-157 . . . . 4844 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'methionine sulfoxide reductase' common 4844 1 pmsr abbreviation 4844 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 . VAL . 4844 1 2 . ILE . 4844 1 3 . ALA . 4844 1 4 . ASN . 4844 1 5 . PHE . 4844 1 6 . ASP . 4844 1 7 . LYS . 4844 1 8 . THR . 4844 1 9 . GLN . 4844 1 10 . PRO . 4844 1 11 . ILE . 4844 1 12 . GLY . 4844 1 13 . GLN . 4844 1 14 . SER . 4844 1 15 . ASP . 4844 1 16 . ALA . 4844 1 17 . LEU . 4844 1 18 . PRO . 4844 1 19 . GLY . 4844 1 20 . ARG . 4844 1 21 . THR . 4844 1 22 . THR . 4844 1 23 . PRO . 4844 1 24 . MET . 4844 1 25 . PRO . 4844 1 26 . VAL . 4844 1 27 . ALA . 4844 1 28 . ARG . 4844 1 29 . LEU . 4844 1 30 . HIS . 4844 1 31 . VAL . 4844 1 32 . VAL . 4844 1 33 . ASN . 4844 1 34 . GLN . 4844 1 35 . HIS . 4844 1 36 . SER . 4844 1 37 . MET . 4844 1 38 . THR . 4844 1 39 . HIS . 4844 1 40 . VAL . 4844 1 41 . PRO . 4844 1 42 . ASP . 4844 1 43 . HIS . 4844 1 44 . MET . 4844 1 45 . GLU . 4844 1 46 . VAL . 4844 1 47 . ALA . 4844 1 48 . ILE . 4844 1 49 . PHE . 4844 1 50 . ALA . 4844 1 51 . MET . 4844 1 52 . GLY . 4844 1 53 . CYS . 4844 1 54 . PHE . 4844 1 55 . TRP . 4844 1 56 . GLY . 4844 1 57 . VAL . 4844 1 58 . GLU . 4844 1 59 . ARG . 4844 1 60 . LEU . 4844 1 61 . PHE . 4844 1 62 . TRP . 4844 1 63 . GLN . 4844 1 64 . GLN . 4844 1 65 . PRO . 4844 1 66 . GLY . 4844 1 67 . VAL . 4844 1 68 . TYR . 4844 1 69 . SER . 4844 1 70 . THR . 4844 1 71 . ALA . 4844 1 72 . SER . 4844 1 73 . GLY . 4844 1 74 . TYR . 4844 1 75 . CYS . 4844 1 76 . GLY . 4844 1 77 . GLY . 4844 1 78 . TYR . 4844 1 79 . THR . 4844 1 80 . PRO . 4844 1 81 . ASN . 4844 1 82 . PRO . 4844 1 83 . THR . 4844 1 84 . TYR . 4844 1 85 . ARG . 4844 1 86 . GLU . 4844 1 87 . VAL . 4844 1 88 . CYS . 4844 1 89 . THR . 4844 1 90 . GLY . 4844 1 91 . LYS . 4844 1 92 . THR . 4844 1 93 . GLY . 4844 1 94 . HIS . 4844 1 95 . ALA . 4844 1 96 . GLU . 4844 1 97 . ALA . 4844 1 98 . VAL . 4844 1 99 . ARG . 4844 1 100 . VAL . 4844 1 101 . VAL . 4844 1 102 . PHE . 4844 1 103 . ASP . 4844 1 104 . PRO . 4844 1 105 . ALA . 4844 1 106 . VAL . 4844 1 107 . VAL . 4844 1 108 . SER . 4844 1 109 . TYR . 4844 1 110 . PRO . 4844 1 111 . GLN . 4844 1 112 . LEU . 4844 1 113 . LEU . 4844 1 114 . GLN . 4844 1 115 . LEU . 4844 1 116 . PHE . 4844 1 117 . TRP . 4844 1 118 . GLU . 4844 1 119 . ASN . 4844 1 120 . HIS . 4844 1 121 . ASN . 4844 1 122 . PRO . 4844 1 123 . ALA . 4844 1 124 . GLN . 4844 1 125 . GLY . 4844 1 126 . MET . 4844 1 127 . ARG . 4844 1 128 . GLN . 4844 1 129 . GLY . 4844 1 130 . ASN . 4844 1 131 . ASP . 4844 1 132 . ILE . 4844 1 133 . GLY . 4844 1 134 . THR . 4844 1 135 . GLN . 4844 1 136 . TYR . 4844 1 137 . ARG . 4844 1 138 . SER . 4844 1 139 . ALA . 4844 1 140 . ILE . 4844 1 141 . TYR . 4844 1 142 . THR . 4844 1 143 . LEU . 4844 1 144 . THR . 4844 1 145 . THR . 4844 1 146 . GLU . 4844 1 147 . GLN . 4844 1 148 . GLU . 4844 1 149 . THR . 4844 1 150 . ALA . 4844 1 151 . ALA . 4844 1 152 . LYS . 4844 1 153 . GLU . 4844 1 154 . SER . 4844 1 155 . TYR . 4844 1 156 . GLN . 4844 1 157 . ARG . 4844 1 158 . PHE . 4844 1 159 . GLN . 4844 1 160 . GLN . 4844 1 161 . ALA . 4844 1 162 . MET . 4844 1 163 . ARG . 4844 1 164 . ASP . 4844 1 165 . ALA . 4844 1 166 . GLY . 4844 1 167 . ASN . 4844 1 168 . ASP . 4844 1 169 . HIS . 4844 1 170 . ASP . 4844 1 171 . ILE . 4844 1 172 . THR . 4844 1 173 . THR . 4844 1 174 . GLU . 4844 1 175 . ILE . 4844 1 176 . GLN . 4844 1 177 . PRO . 4844 1 178 . ALA . 4844 1 179 . GLY . 4844 1 180 . PRO . 4844 1 181 . PHE . 4844 1 182 . TYR . 4844 1 183 . TYR . 4844 1 184 . ALA . 4844 1 185 . GLU . 4844 1 186 . ASP . 4844 1 187 . GLU . 4844 1 188 . HIS . 4844 1 189 . GLN . 4844 1 190 . GLN . 4844 1 191 . TYR . 4844 1 192 . LEU . 4844 1 193 . HIS . 4844 1 194 . LYS . 4844 1 195 . ASN . 4844 1 196 . PRO . 4844 1 197 . ASP . 4844 1 198 . GLY . 4844 1 199 . TYR . 4844 1 200 . CYS . 4844 1 201 . GLY . 4844 1 202 . LEU . 4844 1 203 . GLY . 4844 1 204 . GLY . 4844 1 205 . ILE . 4844 1 206 . GLY . 4844 1 207 . VAL . 4844 1 208 . CYS . 4844 1 209 . LEU . 4844 1 210 . PRO . 4844 1 211 . PRO . 4844 1 212 . GLN . 4844 1 213 . GLY . 4844 1 214 . LEU . 4844 1 215 . GLU . 4844 1 216 . HIS . 4844 1 217 . HIS . 4844 1 218 . HIS . 4844 1 219 . HIS . 4844 1 220 . HIS . 4844 1 221 . HIS . 4844 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 . VAL 1 1 4844 1 . ILE 2 2 4844 1 . ALA 3 3 4844 1 . ASN 4 4 4844 1 . PHE 5 5 4844 1 . ASP 6 6 4844 1 . LYS 7 7 4844 1 . THR 8 8 4844 1 . GLN 9 9 4844 1 . PRO 10 10 4844 1 . ILE 11 11 4844 1 . GLY 12 12 4844 1 . GLN 13 13 4844 1 . SER 14 14 4844 1 . ASP 15 15 4844 1 . ALA 16 16 4844 1 . LEU 17 17 4844 1 . PRO 18 18 4844 1 . GLY 19 19 4844 1 . ARG 20 20 4844 1 . THR 21 21 4844 1 . THR 22 22 4844 1 . PRO 23 23 4844 1 . MET 24 24 4844 1 . PRO 25 25 4844 1 . VAL 26 26 4844 1 . ALA 27 27 4844 1 . ARG 28 28 4844 1 . LEU 29 29 4844 1 . HIS 30 30 4844 1 . VAL 31 31 4844 1 . VAL 32 32 4844 1 . ASN 33 33 4844 1 . GLN 34 34 4844 1 . HIS 35 35 4844 1 . SER 36 36 4844 1 . MET 37 37 4844 1 . THR 38 38 4844 1 . HIS 39 39 4844 1 . VAL 40 40 4844 1 . PRO 41 41 4844 1 . ASP 42 42 4844 1 . HIS 43 43 4844 1 . MET 44 44 4844 1 . GLU 45 45 4844 1 . VAL 46 46 4844 1 . ALA 47 47 4844 1 . ILE 48 48 4844 1 . PHE 49 49 4844 1 . ALA 50 50 4844 1 . MET 51 51 4844 1 . GLY 52 52 4844 1 . CYS 53 53 4844 1 . PHE 54 54 4844 1 . TRP 55 55 4844 1 . GLY 56 56 4844 1 . VAL 57 57 4844 1 . GLU 58 58 4844 1 . ARG 59 59 4844 1 . LEU 60 60 4844 1 . PHE 61 61 4844 1 . TRP 62 62 4844 1 . GLN 63 63 4844 1 . GLN 64 64 4844 1 . PRO 65 65 4844 1 . GLY 66 66 4844 1 . VAL 67 67 4844 1 . TYR 68 68 4844 1 . SER 69 69 4844 1 . THR 70 70 4844 1 . ALA 71 71 4844 1 . SER 72 72 4844 1 . GLY 73 73 4844 1 . TYR 74 74 4844 1 . CYS 75 75 4844 1 . GLY 76 76 4844 1 . GLY 77 77 4844 1 . TYR 78 78 4844 1 . THR 79 79 4844 1 . PRO 80 80 4844 1 . ASN 81 81 4844 1 . PRO 82 82 4844 1 . THR 83 83 4844 1 . TYR 84 84 4844 1 . ARG 85 85 4844 1 . GLU 86 86 4844 1 . VAL 87 87 4844 1 . CYS 88 88 4844 1 . THR 89 89 4844 1 . GLY 90 90 4844 1 . LYS 91 91 4844 1 . THR 92 92 4844 1 . GLY 93 93 4844 1 . HIS 94 94 4844 1 . ALA 95 95 4844 1 . GLU 96 96 4844 1 . ALA 97 97 4844 1 . VAL 98 98 4844 1 . ARG 99 99 4844 1 . VAL 100 100 4844 1 . VAL 101 101 4844 1 . PHE 102 102 4844 1 . ASP 103 103 4844 1 . PRO 104 104 4844 1 . ALA 105 105 4844 1 . VAL 106 106 4844 1 . VAL 107 107 4844 1 . SER 108 108 4844 1 . TYR 109 109 4844 1 . PRO 110 110 4844 1 . GLN 111 111 4844 1 . LEU 112 112 4844 1 . LEU 113 113 4844 1 . GLN 114 114 4844 1 . LEU 115 115 4844 1 . PHE 116 116 4844 1 . TRP 117 117 4844 1 . GLU 118 118 4844 1 . ASN 119 119 4844 1 . HIS 120 120 4844 1 . ASN 121 121 4844 1 . PRO 122 122 4844 1 . ALA 123 123 4844 1 . GLN 124 124 4844 1 . GLY 125 125 4844 1 . MET 126 126 4844 1 . ARG 127 127 4844 1 . GLN 128 128 4844 1 . GLY 129 129 4844 1 . ASN 130 130 4844 1 . ASP 131 131 4844 1 . ILE 132 132 4844 1 . GLY 133 133 4844 1 . THR 134 134 4844 1 . GLN 135 135 4844 1 . TYR 136 136 4844 1 . ARG 137 137 4844 1 . SER 138 138 4844 1 . ALA 139 139 4844 1 . ILE 140 140 4844 1 . TYR 141 141 4844 1 . THR 142 142 4844 1 . LEU 143 143 4844 1 . THR 144 144 4844 1 . THR 145 145 4844 1 . GLU 146 146 4844 1 . GLN 147 147 4844 1 . GLU 148 148 4844 1 . THR 149 149 4844 1 . ALA 150 150 4844 1 . ALA 151 151 4844 1 . LYS 152 152 4844 1 . GLU 153 153 4844 1 . SER 154 154 4844 1 . TYR 155 155 4844 1 . GLN 156 156 4844 1 . ARG 157 157 4844 1 . PHE 158 158 4844 1 . GLN 159 159 4844 1 . GLN 160 160 4844 1 . ALA 161 161 4844 1 . MET 162 162 4844 1 . ARG 163 163 4844 1 . ASP 164 164 4844 1 . ALA 165 165 4844 1 . GLY 166 166 4844 1 . ASN 167 167 4844 1 . ASP 168 168 4844 1 . HIS 169 169 4844 1 . ASP 170 170 4844 1 . ILE 171 171 4844 1 . THR 172 172 4844 1 . THR 173 173 4844 1 . GLU 174 174 4844 1 . ILE 175 175 4844 1 . GLN 176 176 4844 1 . PRO 177 177 4844 1 . ALA 178 178 4844 1 . GLY 179 179 4844 1 . PRO 180 180 4844 1 . PHE 181 181 4844 1 . TYR 182 182 4844 1 . TYR 183 183 4844 1 . ALA 184 184 4844 1 . GLU 185 185 4844 1 . ASP 186 186 4844 1 . GLU 187 187 4844 1 . HIS 188 188 4844 1 . GLN 189 189 4844 1 . GLN 190 190 4844 1 . TYR 191 191 4844 1 . LEU 192 192 4844 1 . HIS 193 193 4844 1 . LYS 194 194 4844 1 . ASN 195 195 4844 1 . PRO 196 196 4844 1 . ASP 197 197 4844 1 . GLY 198 198 4844 1 . TYR 199 199 4844 1 . CYS 200 200 4844 1 . GLY 201 201 4844 1 . LEU 202 202 4844 1 . GLY 203 203 4844 1 . GLY 204 204 4844 1 . ILE 205 205 4844 1 . GLY 206 206 4844 1 . VAL 207 207 4844 1 . CYS 208 208 4844 1 . LEU 209 209 4844 1 . PRO 210 210 4844 1 . PRO 211 211 4844 1 . GLN 212 212 4844 1 . GLY 213 213 4844 1 . LEU 214 214 4844 1 . GLU 215 215 4844 1 . HIS 216 216 4844 1 . HIS 217 217 4844 1 . HIS 218 218 4844 1 . HIS 219 219 4844 1 . HIS 220 220 4844 1 . HIS 221 221 4844 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4844 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $pmsr . 556 . . 'Erwinia chrysanthemi' . . . Eubacteria . Erwinia chrysanthemi . . . . . . . . . . . . . . . . . . . . . 4844 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4844 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $pmsr . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4844 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 4844 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'methionine sulfoxide reductase' '[U-70% 2H; U-13C; U-15N]' . . 1 $pmsr . . . 1 1.5 mM . . . . 4844 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition _Sample_condition_list.Entry_ID 4844 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5 0.3 n/a 4844 1 temperature 298 1 K 4844 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4844 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . 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 4844 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 4844 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4844 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 4844 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 4844 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4844 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4844 1 2 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4844 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4844 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4844 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4844 1 6 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4844 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4844 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4844 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4844 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4844 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4844 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4844 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4844 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.666 internal direct . internal spherical parallel_to_Bo . . . . . . 4844 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4844 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4844 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_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set _Assigned_chem_shift_list.Entry_ID 4844 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCO 1 $sample . 4844 1 2 HN(CA)CO 1 $sample . 4844 1 3 HNCA 1 $sample . 4844 1 4 HN(CO)CA 1 $sample . 4844 1 5 HNCACB 1 $sample . 4844 1 6 HN(COCA)CB 1 $sample . 4844 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE H H 1 8.314 0.04 . 1 . . . . . . . . 4844 1 2 . 1 1 2 2 ILE C C 13 175.29 0.2 . 1 . . . . . . . . 4844 1 3 . 1 1 2 2 ILE CA C 13 61.22 0.2 . 1 . . . . . . . . 4844 1 4 . 1 1 2 2 ILE CB C 13 38.33 0.2 . 1 . . . . . . . . 4844 1 5 . 1 1 2 2 ILE N N 15 126.874 0.2 . 1 . . . . . . . . 4844 1 6 . 1 1 3 3 ALA H H 1 8.285 0.04 . 1 . . . . . . . . 4844 1 7 . 1 1 3 3 ALA C C 13 176.9 0.2 . 1 . . . . . . . . 4844 1 8 . 1 1 3 3 ALA CA C 13 52.54 0.2 . 1 . . . . . . . . 4844 1 9 . 1 1 3 3 ALA CB C 13 19.29 0.2 . 1 . . . . . . . . 4844 1 10 . 1 1 3 3 ALA N N 15 130.389 0.2 . 1 . . . . . . . . 4844 1 11 . 1 1 4 4 ASN H H 1 8.156 0.04 . 1 . . . . . . . . 4844 1 12 . 1 1 4 4 ASN C C 13 174.59 0.2 . 1 . . . . . . . . 4844 1 13 . 1 1 4 4 ASN CA C 13 53.37 0.2 . 1 . . . . . . . . 4844 1 14 . 1 1 4 4 ASN CB C 13 39.01 0.2 . 1 . . . . . . . . 4844 1 15 . 1 1 4 4 ASN N N 15 119.706 0.2 . 1 . . . . . . . . 4844 1 16 . 1 1 5 5 PHE H H 1 8.033 0.04 . 1 . . . . . . . . 4844 1 17 . 1 1 5 5 PHE C C 13 174.88 0.2 . 1 . . . . . . . . 4844 1 18 . 1 1 5 5 PHE CA C 13 58.63 0.2 . 1 . . . . . . . . 4844 1 19 . 1 1 5 5 PHE CB C 13 39.79 0.2 . 1 . . . . . . . . 4844 1 20 . 1 1 5 5 PHE N N 15 123.036 0.2 . 1 . . . . . . . . 4844 1 21 . 1 1 6 6 ASP H H 1 7.746 0.04 . 1 . . . . . . . . 4844 1 22 . 1 1 6 6 ASP C C 13 175.64 0.2 . 1 . . . . . . . . 4844 1 23 . 1 1 6 6 ASP CA C 13 53.85 0.2 . 1 . . . . . . . . 4844 1 24 . 1 1 6 6 ASP CB C 13 41.46 0.2 . 1 . . . . . . . . 4844 1 25 . 1 1 6 6 ASP N N 15 125.869 0.2 . 1 . . . . . . . . 4844 1 26 . 1 1 7 7 LYS H H 1 7.978 0.04 . 1 . . . . . . . . 4844 1 27 . 1 1 7 7 LYS C C 13 176.1 0.2 . 1 . . . . . . . . 4844 1 28 . 1 1 7 7 LYS CA C 13 57.47 0.2 . 1 . . . . . . . . 4844 1 29 . 1 1 7 7 LYS CB C 13 32.19 0.2 . 1 . . . . . . . . 4844 1 30 . 1 1 7 7 LYS N N 15 122.364 0.2 . 1 . . . . . . . . 4844 1 31 . 1 1 8 8 THR H H 1 8.096 0.04 . 1 . . . . . . . . 4844 1 32 . 1 1 8 8 THR C C 13 173.71 0.2 . 1 . . . . . . . . 4844 1 33 . 1 1 8 8 THR CA C 13 62.76 0.2 . 1 . . . . . . . . 4844 1 34 . 1 1 8 8 THR CB C 13 69.68 0.2 . 1 . . . . . . . . 4844 1 35 . 1 1 8 8 THR N N 15 113.299 0.2 . 1 . . . . . . . . 4844 1 36 . 1 1 9 9 GLN H H 1 7.811 0.04 . 1 . . . . . . . . 4844 1 37 . 1 1 9 9 GLN C C 13 173.55 0.2 . 1 . . . . . . . . 4844 1 38 . 1 1 9 9 GLN CA C 13 53.08 0.2 . 1 . . . . . . . . 4844 1 39 . 1 1 9 9 GLN CB C 13 28.62 0.2 . 1 . . . . . . . . 4844 1 40 . 1 1 9 9 GLN N N 15 124.531 0.2 . 1 . . . . . . . . 4844 1 41 . 1 1 10 10 PRO C C 13 176.63 0.2 . 1 . . . . . . . . 4844 1 42 . 1 1 10 10 PRO CA C 13 62.98 0.2 . 1 . . . . . . . . 4844 1 43 . 1 1 10 10 PRO CB C 13 32.03 0.2 . 1 . . . . . . . . 4844 1 44 . 1 1 11 11 ILE H H 1 8.12 0.04 . 1 . . . . . . . . 4844 1 45 . 1 1 11 11 ILE C C 13 175.15 0.2 . 1 . . . . . . . . 4844 1 46 . 1 1 11 11 ILE CA C 13 59.47 0.2 . 1 . . . . . . . . 4844 1 47 . 1 1 11 11 ILE CB C 13 39.79 0.2 . 1 . . . . . . . . 4844 1 48 . 1 1 11 11 ILE N N 15 123.679 0.2 . 1 . . . . . . . . 4844 1 49 . 1 1 12 12 GLY H H 1 8.332 0.04 . 1 . . . . . . . . 4844 1 50 . 1 1 12 12 GLY C C 13 174.27 0.2 . 1 . . . . . . . . 4844 1 51 . 1 1 12 12 GLY CA C 13 44.35 0.2 . 1 . . . . . . . . 4844 1 52 . 1 1 12 12 GLY N N 15 113.996 0.2 . 1 . . . . . . . . 4844 1 53 . 1 1 13 13 GLN H H 1 7.982 0.04 . 1 . . . . . . . . 4844 1 54 . 1 1 13 13 GLN C C 13 177.89 0.2 . 1 . . . . . . . . 4844 1 55 . 1 1 13 13 GLN CA C 13 58.76 0.2 . 1 . . . . . . . . 4844 1 56 . 1 1 13 13 GLN CB C 13 28.14 0.2 . 1 . . . . . . . . 4844 1 57 . 1 1 13 13 GLN N N 15 121.99 0.2 . 1 . . . . . . . . 4844 1 58 . 1 1 14 14 SER H H 1 8.112 0.04 . 1 . . . . . . . . 4844 1 59 . 1 1 14 14 SER C C 13 174.39 0.2 . 1 . . . . . . . . 4844 1 60 . 1 1 14 14 SER CA C 13 60.3 0.2 . 1 . . . . . . . . 4844 1 61 . 1 1 14 14 SER CB C 13 63.15 0.2 . 1 . . . . . . . . 4844 1 62 . 1 1 14 14 SER N N 15 113.791 0.2 . 1 . . . . . . . . 4844 1 63 . 1 1 15 15 ASP H H 1 7.264 0.04 . 1 . . . . . . . . 4844 1 64 . 1 1 15 15 ASP C C 13 174.75 0.2 . 1 . . . . . . . . 4844 1 65 . 1 1 15 15 ASP CA C 13 54.08 0.2 . 1 . . . . . . . . 4844 1 66 . 1 1 15 15 ASP CB C 13 42.25 0.2 . 1 . . . . . . . . 4844 1 67 . 1 1 15 15 ASP N N 15 120.806 0.2 . 1 . . . . . . . . 4844 1 68 . 1 1 16 16 ALA H H 1 6.806 0.04 . 1 . . . . . . . . 4844 1 69 . 1 1 16 16 ALA C C 13 177.78 0.2 . 1 . . . . . . . . 4844 1 70 . 1 1 16 16 ALA CA C 13 51.51 0.2 . 1 . . . . . . . . 4844 1 71 . 1 1 16 16 ALA CB C 13 19.69 0.2 . 1 . . . . . . . . 4844 1 72 . 1 1 16 16 ALA N N 15 122.96 0.2 . 1 . . . . . . . . 4844 1 73 . 1 1 17 17 LEU H H 1 7.317 0.04 . 1 . . . . . . . . 4844 1 74 . 1 1 17 17 LEU C C 13 177.16 0.2 . 1 . . . . . . . . 4844 1 75 . 1 1 17 17 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . 4844 1 76 . 1 1 17 17 LEU CB C 13 39.55 0.2 . 1 . . . . . . . . 4844 1 77 . 1 1 17 17 LEU N N 15 121.076 0.2 . 1 . . . . . . . . 4844 1 78 . 1 1 18 18 PRO C C 13 177.98 0.2 . 1 . . . . . . . . 4844 1 79 . 1 1 18 18 PRO CA C 13 64.26 0.2 . 1 . . . . . . . . 4844 1 80 . 1 1 18 18 PRO CB C 13 31.61 0.2 . 1 . . . . . . . . 4844 1 81 . 1 1 19 19 GLY H H 1 8.305 0.04 . 1 . . . . . . . . 4844 1 82 . 1 1 19 19 GLY C C 13 172.55 0.2 . 1 . . . . . . . . 4844 1 83 . 1 1 19 19 GLY CA C 13 45.77 0.2 . 1 . . . . . . . . 4844 1 84 . 1 1 19 19 GLY N N 15 108.92 0.2 . 1 . . . . . . . . 4844 1 85 . 1 1 20 20 ARG H H 1 7.618 0.04 . 1 . . . . . . . . 4844 1 86 . 1 1 20 20 ARG C C 13 175.63 0.2 . 1 . . . . . . . . 4844 1 87 . 1 1 20 20 ARG CA C 13 54.54 0.2 . 1 . . . . . . . . 4844 1 88 . 1 1 20 20 ARG CB C 13 29.21 0.2 . 1 . . . . . . . . 4844 1 89 . 1 1 20 20 ARG N N 15 119.273 0.2 . 1 . . . . . . . . 4844 1 90 . 1 1 21 21 THR H H 1 8.459 0.04 . 1 . . . . . . . . 4844 1 91 . 1 1 21 21 THR C C 13 174.8 0.2 . 1 . . . . . . . . 4844 1 92 . 1 1 21 21 THR CA C 13 62.53 0.2 . 1 . . . . . . . . 4844 1 93 . 1 1 21 21 THR CB C 13 69.18 0.2 . 1 . . . . . . . . 4844 1 94 . 1 1 21 21 THR N N 15 110.653 0.2 . 1 . . . . . . . . 4844 1 95 . 1 1 22 22 THR H H 1 6.819 0.04 . 1 . . . . . . . . 4844 1 96 . 1 1 22 22 THR C C 13 171.82 0.2 . 1 . . . . . . . . 4844 1 97 . 1 1 22 22 THR CA C 13 59.23 0.2 . 1 . . . . . . . . 4844 1 98 . 1 1 22 22 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 4844 1 99 . 1 1 22 22 THR N N 15 118.641 0.2 . 1 . . . . . . . . 4844 1 100 . 1 1 23 23 PRO C C 13 176.55 0.2 . 1 . . . . . . . . 4844 1 101 . 1 1 23 23 PRO CA C 13 61.8 0.2 . 1 . . . . . . . . 4844 1 102 . 1 1 23 23 PRO CB C 13 32.47 0.2 . 1 . . . . . . . . 4844 1 103 . 1 1 24 24 MET H H 1 8.525 0.04 . 1 . . . . . . . . 4844 1 104 . 1 1 24 24 MET C C 13 174.98 0.2 . 1 . . . . . . . . 4844 1 105 . 1 1 24 24 MET CA C 13 52.57 0.2 . 1 . . . . . . . . 4844 1 106 . 1 1 24 24 MET CB C 13 32.49 0.2 . 1 . . . . . . . . 4844 1 107 . 1 1 24 24 MET N N 15 125.511 0.2 . 1 . . . . . . . . 4844 1 108 . 1 1 25 25 PRO C C 13 176.36 0.2 . 1 . . . . . . . . 4844 1 109 . 1 1 25 25 PRO CA C 13 63.35 0.2 . 1 . . . . . . . . 4844 1 110 . 1 1 25 25 PRO CB C 13 31.54 0.2 . 1 . . . . . . . . 4844 1 111 . 1 1 26 26 VAL H H 1 7.921 0.04 . 1 . . . . . . . . 4844 1 112 . 1 1 26 26 VAL C C 13 174.93 0.2 . 1 . . . . . . . . 4844 1 113 . 1 1 26 26 VAL CA C 13 60.65 0.2 . 1 . . . . . . . . 4844 1 114 . 1 1 26 26 VAL CB C 13 34.85 0.2 . 1 . . . . . . . . 4844 1 115 . 1 1 26 26 VAL N N 15 125.648 0.2 . 1 . . . . . . . . 4844 1 116 . 1 1 27 27 ALA H H 1 9.627 0.04 . 1 . . . . . . . . 4844 1 117 . 1 1 27 27 ALA C C 13 176.72 0.2 . 1 . . . . . . . . 4844 1 118 . 1 1 27 27 ALA CA C 13 52.31 0.2 . 1 . . . . . . . . 4844 1 119 . 1 1 27 27 ALA CB C 13 18.82 0.2 . 1 . . . . . . . . 4844 1 120 . 1 1 27 27 ALA N N 15 133.382 0.2 . 1 . . . . . . . . 4844 1 121 . 1 1 28 28 ARG H H 1 7.918 0.04 . 1 . . . . . . . . 4844 1 122 . 1 1 28 28 ARG C C 13 178.37 0.2 . 1 . . . . . . . . 4844 1 123 . 1 1 28 28 ARG CA C 13 59.36 0.2 . 1 . . . . . . . . 4844 1 124 . 1 1 28 28 ARG CB C 13 30.87 0.2 . 1 . . . . . . . . 4844 1 125 . 1 1 28 28 ARG N N 15 118.147 0.2 . 1 . . . . . . . . 4844 1 126 . 1 1 29 29 LEU H H 1 7.484 0.04 . 1 . . . . . . . . 4844 1 127 . 1 1 29 29 LEU C C 13 176.54 0.2 . 1 . . . . . . . . 4844 1 128 . 1 1 29 29 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 4844 1 129 . 1 1 29 29 LEU CB C 13 44.44 0.2 . 1 . . . . . . . . 4844 1 130 . 1 1 29 29 LEU N N 15 115.616 0.2 . 1 . . . . . . . . 4844 1 131 . 1 1 30 30 HIS H H 1 9.004 0.04 . 1 . . . . . . . . 4844 1 132 . 1 1 30 30 HIS C C 13 178.37 0.2 . 1 . . . . . . . . 4844 1 133 . 1 1 30 30 HIS CA C 13 57.48 0.2 . 1 . . . . . . . . 4844 1 134 . 1 1 30 30 HIS CB C 13 33.02 0.2 . 1 . . . . . . . . 4844 1 135 . 1 1 30 30 HIS N N 15 128.726 0.2 . 1 . . . . . . . . 4844 1 136 . 1 1 31 31 VAL H H 1 7.688 0.04 . 1 . . . . . . . . 4844 1 137 . 1 1 31 31 VAL C C 13 175.92 0.2 . 1 . . . . . . . . 4844 1 138 . 1 1 31 31 VAL CA C 13 64.38 0.2 . 1 . . . . . . . . 4844 1 139 . 1 1 31 31 VAL CB C 13 30.87 0.2 . 1 . . . . . . . . 4844 1 140 . 1 1 31 31 VAL N N 15 121.871 0.2 . 1 . . . . . . . . 4844 1 141 . 1 1 32 32 VAL H H 1 7.697 0.04 . 1 . . . . . . . . 4844 1 142 . 1 1 32 32 VAL C C 13 177.3 0.2 . 1 . . . . . . . . 4844 1 143 . 1 1 32 32 VAL CA C 13 64.28 0.2 . 1 . . . . . . . . 4844 1 144 . 1 1 32 32 VAL CB C 13 30.91 0.2 . 1 . . . . . . . . 4844 1 145 . 1 1 32 32 VAL N N 15 120.857 0.2 . 1 . . . . . . . . 4844 1 146 . 1 1 33 33 ASN H H 1 7.075 0.04 . 1 . . . . . . . . 4844 1 147 . 1 1 33 33 ASN C C 13 174.86 0.2 . 1 . . . . . . . . 4844 1 148 . 1 1 33 33 ASN CA C 13 51.96 0.2 . 1 . . . . . . . . 4844 1 149 . 1 1 33 33 ASN CB C 13 39.15 0.2 . 1 . . . . . . . . 4844 1 150 . 1 1 33 33 ASN N N 15 114.636 0.2 . 1 . . . . . . . . 4844 1 151 . 1 1 34 34 GLN H H 1 7.493 0.04 . 1 . . . . . . . . 4844 1 152 . 1 1 34 34 GLN C C 13 174.53 0.2 . 1 . . . . . . . . 4844 1 153 . 1 1 34 34 GLN CA C 13 57.59 0.2 . 1 . . . . . . . . 4844 1 154 . 1 1 34 34 GLN CB C 13 25.2 0.2 . 1 . . . . . . . . 4844 1 155 . 1 1 34 34 GLN N N 15 111.313 0.2 . 1 . . . . . . . . 4844 1 156 . 1 1 35 35 HIS H H 1 7.838 0.04 . 1 . . . . . . . . 4844 1 157 . 1 1 35 35 HIS C C 13 174.51 0.2 . 1 . . . . . . . . 4844 1 158 . 1 1 35 35 HIS CA C 13 52.31 0.2 . 1 . . . . . . . . 4844 1 159 . 1 1 35 35 HIS CB C 13 29 0.2 . 1 . . . . . . . . 4844 1 160 . 1 1 35 35 HIS N N 15 116.764 0.2 . 1 . . . . . . . . 4844 1 161 . 1 1 36 36 SER H H 1 7.863 0.04 . 1 . . . . . . . . 4844 1 162 . 1 1 36 36 SER C C 13 176.97 0.2 . 1 . . . . . . . . 4844 1 163 . 1 1 36 36 SER CA C 13 59.24 0.2 . 1 . . . . . . . . 4844 1 164 . 1 1 36 36 SER CB C 13 63.68 0.2 . 1 . . . . . . . . 4844 1 165 . 1 1 36 36 SER N N 15 113.342 0.2 . 1 . . . . . . . . 4844 1 166 . 1 1 37 37 MET H H 1 7.984 0.04 . 1 . . . . . . . . 4844 1 167 . 1 1 37 37 MET C C 13 177.61 0.2 . 1 . . . . . . . . 4844 1 168 . 1 1 37 37 MET CA C 13 56.18 0.2 . 1 . . . . . . . . 4844 1 169 . 1 1 37 37 MET CB C 13 33.24 0.2 . 1 . . . . . . . . 4844 1 170 . 1 1 37 37 MET N N 15 125.839 0.2 . 1 . . . . . . . . 4844 1 171 . 1 1 38 38 THR H H 1 8.007 0.04 . 1 . . . . . . . . 4844 1 172 . 1 1 38 38 THR C C 13 174.76 0.2 . 1 . . . . . . . . 4844 1 173 . 1 1 38 38 THR CA C 13 62.52 0.2 . 1 . . . . . . . . 4844 1 174 . 1 1 38 38 THR CB C 13 70.28 0.2 . 1 . . . . . . . . 4844 1 175 . 1 1 38 38 THR N N 15 109.641 0.2 . 1 . . . . . . . . 4844 1 176 . 1 1 39 39 HIS H H 1 8.177 0.04 . 1 . . . . . . . . 4844 1 177 . 1 1 39 39 HIS C C 13 174.04 0.2 . 1 . . . . . . . . 4844 1 178 . 1 1 39 39 HIS CA C 13 57.01 0.2 . 1 . . . . . . . . 4844 1 179 . 1 1 39 39 HIS CB C 13 30.5 0.2 . 1 . . . . . . . . 4844 1 180 . 1 1 39 39 HIS N N 15 124.379 0.2 . 1 . . . . . . . . 4844 1 181 . 1 1 40 40 VAL H H 1 7.888 0.04 . 1 . . . . . . . . 4844 1 182 . 1 1 40 40 VAL C C 13 173.01 0.2 . 1 . . . . . . . . 4844 1 183 . 1 1 40 40 VAL CA C 13 59.46 0.2 . 1 . . . . . . . . 4844 1 184 . 1 1 40 40 VAL CB C 13 32.15 0.2 . 1 . . . . . . . . 4844 1 185 . 1 1 40 40 VAL N N 15 129.116 0.2 . 1 . . . . . . . . 4844 1 186 . 1 1 41 41 PRO C C 13 174.89 0.2 . 1 . . . . . . . . 4844 1 187 . 1 1 41 41 PRO CA C 13 62.29 0.2 . 1 . . . . . . . . 4844 1 188 . 1 1 42 42 ASP H H 1 7.872 0.04 . 1 . . . . . . . . 4844 1 189 . 1 1 42 42 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 4844 1 190 . 1 1 42 42 ASP CA C 13 55.94 0.2 . 1 . . . . . . . . 4844 1 191 . 1 1 42 42 ASP CB C 13 40.51 0.2 . 1 . . . . . . . . 4844 1 192 . 1 1 42 42 ASP N N 15 121.376 0.2 . 1 . . . . . . . . 4844 1 193 . 1 1 43 43 HIS H H 1 8.216 0.04 . 1 . . . . . . . . 4844 1 194 . 1 1 43 43 HIS C C 13 174.18 0.2 . 1 . . . . . . . . 4844 1 195 . 1 1 43 43 HIS CA C 13 57.26 0.2 . 1 . . . . . . . . 4844 1 196 . 1 1 43 43 HIS CB C 13 27 0.2 . 1 . . . . . . . . 4844 1 197 . 1 1 43 43 HIS N N 15 114.545 0.2 . 1 . . . . . . . . 4844 1 198 . 1 1 44 44 MET H H 1 7.416 0.04 . 1 . . . . . . . . 4844 1 199 . 1 1 44 44 MET C C 13 173.59 0.2 . 1 . . . . . . . . 4844 1 200 . 1 1 44 44 MET CA C 13 56.79 0.2 . 1 . . . . . . . . 4844 1 201 . 1 1 44 44 MET CB C 13 31.91 0.2 . 1 . . . . . . . . 4844 1 202 . 1 1 44 44 MET N N 15 118.583 0.2 . 1 . . . . . . . . 4844 1 203 . 1 1 45 45 GLU H H 1 8.156 0.04 . 1 . . . . . . . . 4844 1 204 . 1 1 45 45 GLU C C 13 172.3 0.2 . 1 . . . . . . . . 4844 1 205 . 1 1 45 45 GLU CA C 13 54.77 0.2 . 1 . . . . . . . . 4844 1 206 . 1 1 45 45 GLU CB C 13 33.75 0.2 . 1 . . . . . . . . 4844 1 207 . 1 1 45 45 GLU N N 15 122.021 0.2 . 1 . . . . . . . . 4844 1 208 . 1 1 46 46 VAL H H 1 7.365 0.04 . 1 . . . . . . . . 4844 1 209 . 1 1 46 46 VAL C C 13 174.17 0.2 . 1 . . . . . . . . 4844 1 210 . 1 1 46 46 VAL CA C 13 60.77 0.2 . 1 . . . . . . . . 4844 1 211 . 1 1 46 46 VAL CB C 13 33.99 0.2 . 1 . . . . . . . . 4844 1 212 . 1 1 46 46 VAL N N 15 121.038 0.2 . 1 . . . . . . . . 4844 1 213 . 1 1 47 47 ALA H H 1 9.268 0.04 . 1 . . . . . . . . 4844 1 214 . 1 1 47 47 ALA C C 13 174.47 0.2 . 1 . . . . . . . . 4844 1 215 . 1 1 47 47 ALA CA C 13 50.34 0.2 . 1 . . . . . . . . 4844 1 216 . 1 1 47 47 ALA CB C 13 24.28 0.2 . 1 . . . . . . . . 4844 1 217 . 1 1 47 47 ALA N N 15 129.853 0.2 . 1 . . . . . . . . 4844 1 218 . 1 1 48 48 ILE H H 1 6.851 0.04 . 1 . . . . . . . . 4844 1 219 . 1 1 48 48 ILE C C 13 174.01 0.2 . 1 . . . . . . . . 4844 1 220 . 1 1 48 48 ILE CA C 13 60.41 0.2 . 1 . . . . . . . . 4844 1 221 . 1 1 48 48 ILE CB C 13 40.27 0.2 . 1 . . . . . . . . 4844 1 222 . 1 1 48 48 ILE N N 15 119.687 0.2 . 1 . . . . . . . . 4844 1 223 . 1 1 49 49 PHE H H 1 8.036 0.04 . 1 . . . . . . . . 4844 1 224 . 1 1 49 49 PHE C C 13 173.18 0.2 . 1 . . . . . . . . 4844 1 225 . 1 1 49 49 PHE CA C 13 56.09 0.2 . 1 . . . . . . . . 4844 1 226 . 1 1 49 49 PHE CB C 13 44.76 0.2 . 1 . . . . . . . . 4844 1 227 . 1 1 49 49 PHE N N 15 124.009 0.2 . 1 . . . . . . . . 4844 1 228 . 1 1 50 50 ALA H H 1 9.284 0.04 . 1 . . . . . . . . 4844 1 229 . 1 1 50 50 ALA C C 13 175.62 0.2 . 1 . . . . . . . . 4844 1 230 . 1 1 50 50 ALA CA C 13 52.19 0.2 . 1 . . . . . . . . 4844 1 231 . 1 1 50 50 ALA CB C 13 22.06 0.2 . 1 . . . . . . . . 4844 1 232 . 1 1 50 50 ALA N N 15 127.539 0.2 . 1 . . . . . . . . 4844 1 233 . 1 1 51 51 MET H H 1 9.104 0.04 . 1 . . . . . . . . 4844 1 234 . 1 1 51 51 MET C C 13 172.84 0.2 . 1 . . . . . . . . 4844 1 235 . 1 1 51 51 MET CA C 13 54.2 0.2 . 1 . . . . . . . . 4844 1 236 . 1 1 51 51 MET CB C 13 34.79 0.2 . 1 . . . . . . . . 4844 1 237 . 1 1 51 51 MET N N 15 123.438 0.2 . 1 . . . . . . . . 4844 1 238 . 1 1 52 52 GLY H H 1 9.382 0.04 . 1 . . . . . . . . 4844 1 239 . 1 1 52 52 GLY C C 13 173.17 0.2 . 1 . . . . . . . . 4844 1 240 . 1 1 52 52 GLY CA C 13 43.18 0.2 . 1 . . . . . . . . 4844 1 241 . 1 1 52 52 GLY N N 15 111.417 0.2 . 1 . . . . . . . . 4844 1 242 . 1 1 53 53 CYS H H 1 9.182 0.04 . 1 . . . . . . . . 4844 1 243 . 1 1 53 53 CYS C C 13 178.75 0.2 . 1 . . . . . . . . 4844 1 244 . 1 1 53 53 CYS CA C 13 58.88 0.2 . 1 . . . . . . . . 4844 1 245 . 1 1 53 53 CYS CB C 13 26.66 0.2 . 1 . . . . . . . . 4844 1 246 . 1 1 53 53 CYS N N 15 123.508 0.2 . 1 . . . . . . . . 4844 1 247 . 1 1 54 54 PHE H H 1 8.019 0.04 . 1 . . . . . . . . 4844 1 248 . 1 1 54 54 PHE C C 13 176.56 0.2 . 1 . . . . . . . . 4844 1 249 . 1 1 54 54 PHE CA C 13 57.49 0.2 . 1 . . . . . . . . 4844 1 250 . 1 1 54 54 PHE CB C 13 37.15 0.2 . 1 . . . . . . . . 4844 1 251 . 1 1 54 54 PHE N N 15 125.87 0.2 . 1 . . . . . . . . 4844 1 252 . 1 1 55 55 TRP H H 1 7.672 0.04 . 1 . . . . . . . . 4844 1 253 . 1 1 55 55 TRP C C 13 180.46 0.2 . 1 . . . . . . . . 4844 1 254 . 1 1 55 55 TRP CA C 13 58.06 0.2 . 1 . . . . . . . . 4844 1 255 . 1 1 55 55 TRP CB C 13 28.6 0.2 . 1 . . . . . . . . 4844 1 256 . 1 1 55 55 TRP N N 15 125.187 0.2 . 1 . . . . . . . . 4844 1 257 . 1 1 56 56 GLY H H 1 8.327 0.04 . 1 . . . . . . . . 4844 1 258 . 1 1 56 56 GLY C C 13 175.51 0.2 . 1 . . . . . . . . 4844 1 259 . 1 1 56 56 GLY CA C 13 47.41 0.2 . 1 . . . . . . . . 4844 1 260 . 1 1 56 56 GLY N N 15 107.681 0.2 . 1 . . . . . . . . 4844 1 261 . 1 1 57 57 VAL H H 1 6.706 0.04 . 1 . . . . . . . . 4844 1 262 . 1 1 57 57 VAL C C 13 176.62 0.2 . 1 . . . . . . . . 4844 1 263 . 1 1 57 57 VAL CA C 13 65.69 0.2 . 1 . . . . . . . . 4844 1 264 . 1 1 57 57 VAL CB C 13 32.45 0.2 . 1 . . . . . . . . 4844 1 265 . 1 1 57 57 VAL N N 15 122.847 0.2 . 1 . . . . . . . . 4844 1 266 . 1 1 58 58 GLU H H 1 8.776 0.04 . 1 . . . . . . . . 4844 1 267 . 1 1 58 58 GLU C C 13 177.59 0.2 . 1 . . . . . . . . 4844 1 268 . 1 1 58 58 GLU CA C 13 61.24 0.2 . 1 . . . . . . . . 4844 1 269 . 1 1 58 58 GLU CB C 13 27.99 0.2 . 1 . . . . . . . . 4844 1 270 . 1 1 58 58 GLU N N 15 121.387 0.2 . 1 . . . . . . . . 4844 1 271 . 1 1 59 59 ARG H H 1 6.191 0.04 . 1 . . . . . . . . 4844 1 272 . 1 1 59 59 ARG C C 13 175.61 0.2 . 1 . . . . . . . . 4844 1 273 . 1 1 59 59 ARG CA C 13 57.35 0.2 . 1 . . . . . . . . 4844 1 274 . 1 1 59 59 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4844 1 275 . 1 1 59 59 ARG N N 15 117.425 0.2 . 1 . . . . . . . . 4844 1 276 . 1 1 60 60 LEU H H 1 6.599 0.04 . 1 . . . . . . . . 4844 1 277 . 1 1 60 60 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 4844 1 278 . 1 1 60 60 LEU CA C 13 57.47 0.2 . 1 . . . . . . . . 4844 1 279 . 1 1 60 60 LEU CB C 13 40.83 0.2 . 1 . . . . . . . . 4844 1 280 . 1 1 60 60 LEU N N 15 119.212 0.2 . 1 . . . . . . . . 4844 1 281 . 1 1 61 61 PHE H H 1 6.924 0.04 . 1 . . . . . . . . 4844 1 282 . 1 1 61 61 PHE C C 13 178.53 0.2 . 1 . . . . . . . . 4844 1 283 . 1 1 61 61 PHE CA C 13 63.33 0.2 . 1 . . . . . . . . 4844 1 284 . 1 1 61 61 PHE CB C 13 40.29 0.2 . 1 . . . . . . . . 4844 1 285 . 1 1 61 61 PHE N N 15 112.6 0.2 . 1 . . . . . . . . 4844 1 286 . 1 1 62 62 TRP H H 1 8.625 0.04 . 1 . . . . . . . . 4844 1 287 . 1 1 62 62 TRP C C 13 178.04 0.2 . 1 . . . . . . . . 4844 1 288 . 1 1 62 62 TRP CA C 13 60.64 0.2 . 1 . . . . . . . . 4844 1 289 . 1 1 62 62 TRP CB C 13 24.84 0.2 . 1 . . . . . . . . 4844 1 290 . 1 1 62 62 TRP N N 15 119.198 0.2 . 1 . . . . . . . . 4844 1 291 . 1 1 63 63 GLN H H 1 6.905 0.04 . 1 . . . . . . . . 4844 1 292 . 1 1 63 63 GLN C C 13 175.91 0.2 . 1 . . . . . . . . 4844 1 293 . 1 1 63 63 GLN CA C 13 56.55 0.2 . 1 . . . . . . . . 4844 1 294 . 1 1 63 63 GLN CB C 13 29.24 0.2 . 1 . . . . . . . . 4844 1 295 . 1 1 63 63 GLN N N 15 120.069 0.2 . 1 . . . . . . . . 4844 1 296 . 1 1 64 64 GLN H H 1 7.335 0.04 . 1 . . . . . . . . 4844 1 297 . 1 1 64 64 GLN C C 13 174.15 0.2 . 1 . . . . . . . . 4844 1 298 . 1 1 64 64 GLN CA C 13 52.69 0.2 . 1 . . . . . . . . 4844 1 299 . 1 1 64 64 GLN CB C 13 27.3 0.2 . 1 . . . . . . . . 4844 1 300 . 1 1 64 64 GLN N N 15 122.864 0.2 . 1 . . . . . . . . 4844 1 301 . 1 1 65 65 PRO C C 13 176.66 0.2 . 1 . . . . . . . . 4844 1 302 . 1 1 65 65 PRO CA C 13 64.16 0.2 . 1 . . . . . . . . 4844 1 303 . 1 1 65 65 PRO CB C 13 31.36 0.2 . 1 . . . . . . . . 4844 1 304 . 1 1 66 66 GLY H H 1 8.624 0.04 . 1 . . . . . . . . 4844 1 305 . 1 1 66 66 GLY C C 13 175.22 0.2 . 1 . . . . . . . . 4844 1 306 . 1 1 66 66 GLY CA C 13 46.12 0.2 . 1 . . . . . . . . 4844 1 307 . 1 1 66 66 GLY N N 15 111.992 0.2 . 1 . . . . . . . . 4844 1 308 . 1 1 67 67 VAL H H 1 7.758 0.04 . 1 . . . . . . . . 4844 1 309 . 1 1 67 67 VAL C C 13 175.26 0.2 . 1 . . . . . . . . 4844 1 310 . 1 1 67 67 VAL CA C 13 64.51 0.2 . 1 . . . . . . . . 4844 1 311 . 1 1 67 67 VAL CB C 13 31.13 0.2 . 1 . . . . . . . . 4844 1 312 . 1 1 67 67 VAL N N 15 124.782 0.2 . 1 . . . . . . . . 4844 1 313 . 1 1 68 68 TYR H H 1 9.594 0.04 . 1 . . . . . . . . 4844 1 314 . 1 1 68 68 TYR C C 13 176.16 0.2 . 1 . . . . . . . . 4844 1 315 . 1 1 68 68 TYR CA C 13 60.18 0.2 . 1 . . . . . . . . 4844 1 316 . 1 1 68 68 TYR CB C 13 41.07 0.2 . 1 . . . . . . . . 4844 1 317 . 1 1 68 68 TYR N N 15 134.252 0.2 . 1 . . . . . . . . 4844 1 318 . 1 1 69 69 SER H H 1 8.139 0.04 . 1 . . . . . . . . 4844 1 319 . 1 1 69 69 SER C C 13 171.02 0.2 . 1 . . . . . . . . 4844 1 320 . 1 1 69 69 SER CA C 13 58.06 0.2 . 1 . . . . . . . . 4844 1 321 . 1 1 69 69 SER CB C 13 65.33 0.2 . 1 . . . . . . . . 4844 1 322 . 1 1 69 69 SER N N 15 113.023 0.2 . 1 . . . . . . . . 4844 1 323 . 1 1 70 70 THR H H 1 6.939 0.04 . 1 . . . . . . . . 4844 1 324 . 1 1 70 70 THR C C 13 172.36 0.2 . 1 . . . . . . . . 4844 1 325 . 1 1 70 70 THR CA C 13 60.54 0.2 . 1 . . . . . . . . 4844 1 326 . 1 1 70 70 THR CB C 13 73.2 0.2 . 1 . . . . . . . . 4844 1 327 . 1 1 70 70 THR N N 15 111.839 0.2 . 1 . . . . . . . . 4844 1 328 . 1 1 71 71 ALA H H 1 7.961 0.04 . 1 . . . . . . . . 4844 1 329 . 1 1 71 71 ALA C C 13 177.07 0.2 . 1 . . . . . . . . 4844 1 330 . 1 1 71 71 ALA CA C 13 51.87 0.2 . 1 . . . . . . . . 4844 1 331 . 1 1 71 71 ALA CB C 13 23.67 0.2 . 1 . . . . . . . . 4844 1 332 . 1 1 71 71 ALA N N 15 118.124 0.2 . 1 . . . . . . . . 4844 1 333 . 1 1 72 72 SER H H 1 9.544 0.04 . 1 . . . . . . . . 4844 1 334 . 1 1 72 72 SER C C 13 175.23 0.2 . 1 . . . . . . . . 4844 1 335 . 1 1 72 72 SER CA C 13 59.23 0.2 . 1 . . . . . . . . 4844 1 336 . 1 1 72 72 SER CB C 13 63.99 0.2 . 1 . . . . . . . . 4844 1 337 . 1 1 72 72 SER N N 15 121.548 0.2 . 1 . . . . . . . . 4844 1 338 . 1 1 73 73 GLY H H 1 8.873 0.04 . 1 . . . . . . . . 4844 1 339 . 1 1 73 73 GLY C C 13 169.67 0.2 . 1 . . . . . . . . 4844 1 340 . 1 1 73 73 GLY CA C 13 47.4 0.2 . 1 . . . . . . . . 4844 1 341 . 1 1 73 73 GLY N N 15 115.16 0.2 . 1 . . . . . . . . 4844 1 342 . 1 1 74 74 TYR H H 1 8.574 0.04 . 1 . . . . . . . . 4844 1 343 . 1 1 74 74 TYR C C 13 173.71 0.2 . 1 . . . . . . . . 4844 1 344 . 1 1 74 74 TYR CA C 13 53.71 0.2 . 1 . . . . . . . . 4844 1 345 . 1 1 74 74 TYR CB C 13 40.53 0.2 . 1 . . . . . . . . 4844 1 346 . 1 1 74 74 TYR N N 15 122.979 0.2 . 1 . . . . . . . . 4844 1 347 . 1 1 75 75 CYS H H 1 8.712 0.04 . 1 . . . . . . . . 4844 1 348 . 1 1 75 75 CYS C C 13 173.18 0.2 . 1 . . . . . . . . 4844 1 349 . 1 1 75 75 CYS CA C 13 58.76 0.2 . 1 . . . . . . . . 4844 1 350 . 1 1 75 75 CYS CB C 13 31.25 0.2 . 1 . . . . . . . . 4844 1 351 . 1 1 75 75 CYS N N 15 124.439 0.2 . 1 . . . . . . . . 4844 1 352 . 1 1 76 76 GLY H H 1 8.679 0.04 . 1 . . . . . . . . 4844 1 353 . 1 1 76 76 GLY C C 13 174.48 0.2 . 1 . . . . . . . . 4844 1 354 . 1 1 76 76 GLY CA C 13 44.58 0.2 . 1 . . . . . . . . 4844 1 355 . 1 1 76 76 GLY N N 15 115.146 0.2 . 1 . . . . . . . . 4844 1 356 . 1 1 77 77 GLY H H 1 8.73 0.04 . 1 . . . . . . . . 4844 1 357 . 1 1 77 77 GLY C C 13 172.99 0.2 . 1 . . . . . . . . 4844 1 358 . 1 1 77 77 GLY CA C 13 42.37 0.2 . 1 . . . . . . . . 4844 1 359 . 1 1 77 77 GLY N N 15 113.582 0.2 . 1 . . . . . . . . 4844 1 360 . 1 1 78 78 TYR H H 1 7.507 0.04 . 1 . . . . . . . . 4844 1 361 . 1 1 78 78 TYR C C 13 176.57 0.2 . 1 . . . . . . . . 4844 1 362 . 1 1 78 78 TYR CA C 13 58.52 0.2 . 1 . . . . . . . . 4844 1 363 . 1 1 78 78 TYR CB C 13 40.7 0.2 . 1 . . . . . . . . 4844 1 364 . 1 1 78 78 TYR N N 15 119.261 0.2 . 1 . . . . . . . . 4844 1 365 . 1 1 79 79 THR H H 1 6.63 0.04 . 1 . . . . . . . . 4844 1 366 . 1 1 79 79 THR C C 13 172.36 0.2 . 1 . . . . . . . . 4844 1 367 . 1 1 79 79 THR CA C 13 62.51 0.2 . 1 . . . . . . . . 4844 1 368 . 1 1 79 79 THR CB C 13 72.39 0.2 . 1 . . . . . . . . 4844 1 369 . 1 1 79 79 THR N N 15 118.323 0.2 . 1 . . . . . . . . 4844 1 370 . 1 1 82 82 PRO C C 13 174.54 0.2 . 1 . . . . . . . . 4844 1 371 . 1 1 82 82 PRO CA C 13 62.52 0.2 . 1 . . . . . . . . 4844 1 372 . 1 1 82 82 PRO CB C 13 33.02 0.2 . 1 . . . . . . . . 4844 1 373 . 1 1 83 83 THR H H 1 8.004 0.04 . 1 . . . . . . . . 4844 1 374 . 1 1 83 83 THR C C 13 175.34 0.2 . 1 . . . . . . . . 4844 1 375 . 1 1 83 83 THR CA C 13 58.67 0.2 . 1 . . . . . . . . 4844 1 376 . 1 1 83 83 THR CB C 13 71.88 0.2 . 1 . . . . . . . . 4844 1 377 . 1 1 83 83 THR N N 15 108.413 0.2 . 1 . . . . . . . . 4844 1 378 . 1 1 84 84 TYR H H 1 11.541 0.04 . 1 . . . . . . . . 4844 1 379 . 1 1 84 84 TYR C C 13 178.83 0.2 . 1 . . . . . . . . 4844 1 380 . 1 1 84 84 TYR CA C 13 62.86 0.2 . 1 . . . . . . . . 4844 1 381 . 1 1 84 84 TYR CB C 13 37.89 0.2 . 1 . . . . . . . . 4844 1 382 . 1 1 84 84 TYR N N 15 128.052 0.2 . 1 . . . . . . . . 4844 1 383 . 1 1 85 85 ARG H H 1 8.099 0.04 . 1 . . . . . . . . 4844 1 384 . 1 1 85 85 ARG C C 13 179.71 0.2 . 1 . . . . . . . . 4844 1 385 . 1 1 85 85 ARG CA C 13 59.36 0.2 . 1 . . . . . . . . 4844 1 386 . 1 1 85 85 ARG CB C 13 29.59 0.2 . 1 . . . . . . . . 4844 1 387 . 1 1 85 85 ARG N N 15 118.355 0.2 . 1 . . . . . . . . 4844 1 388 . 1 1 86 86 GLU H H 1 7.33 0.04 . 1 . . . . . . . . 4844 1 389 . 1 1 86 86 GLU C C 13 180.46 0.2 . 1 . . . . . . . . 4844 1 390 . 1 1 86 86 GLU CA C 13 59 0.2 . 1 . . . . . . . . 4844 1 391 . 1 1 86 86 GLU CB C 13 29.11 0.2 . 1 . . . . . . . . 4844 1 392 . 1 1 86 86 GLU N N 15 119.074 0.2 . 1 . . . . . . . . 4844 1 393 . 1 1 87 87 VAL H H 1 8.581 0.04 . 1 . . . . . . . . 4844 1 394 . 1 1 87 87 VAL C C 13 180.47 0.2 . 1 . . . . . . . . 4844 1 395 . 1 1 87 87 VAL CA C 13 66.16 0.2 . 1 . . . . . . . . 4844 1 396 . 1 1 87 87 VAL CB C 13 30.77 0.2 . 1 . . . . . . . . 4844 1 397 . 1 1 87 87 VAL N N 15 125.103 0.2 . 1 . . . . . . . . 4844 1 398 . 1 1 88 88 CYS H H 1 8.008 0.04 . 1 . . . . . . . . 4844 1 399 . 1 1 88 88 CYS C C 13 174.58 0.2 . 1 . . . . . . . . 4844 1 400 . 1 1 88 88 CYS CA C 13 62.63 0.2 . 1 . . . . . . . . 4844 1 401 . 1 1 88 88 CYS CB C 13 27.18 0.2 . 1 . . . . . . . . 4844 1 402 . 1 1 88 88 CYS N N 15 118.495 0.2 . 1 . . . . . . . . 4844 1 403 . 1 1 89 89 THR H H 1 7.114 0.04 . 1 . . . . . . . . 4844 1 404 . 1 1 89 89 THR C C 13 176.68 0.2 . 1 . . . . . . . . 4844 1 405 . 1 1 89 89 THR CA C 13 64.06 0.2 . 1 . . . . . . . . 4844 1 406 . 1 1 89 89 THR CB C 13 72.48 0.2 . 1 . . . . . . . . 4844 1 407 . 1 1 89 89 THR N N 15 109.831 0.2 . 1 . . . . . . . . 4844 1 408 . 1 1 90 90 GLY H H 1 7.477 0.04 . 1 . . . . . . . . 4844 1 409 . 1 1 90 90 GLY C C 13 175.82 0.2 . 1 . . . . . . . . 4844 1 410 . 1 1 90 90 GLY CA C 13 46.35 0.2 . 1 . . . . . . . . 4844 1 411 . 1 1 90 90 GLY N N 15 108.495 0.2 . 1 . . . . . . . . 4844 1 412 . 1 1 91 91 LYS H H 1 8.121 0.04 . 1 . . . . . . . . 4844 1 413 . 1 1 91 91 LYS C C 13 175.68 0.2 . 1 . . . . . . . . 4844 1 414 . 1 1 91 91 LYS CA C 13 57.25 0.2 . 1 . . . . . . . . 4844 1 415 . 1 1 91 91 LYS CB C 13 31.05 0.2 . 1 . . . . . . . . 4844 1 416 . 1 1 91 91 LYS N N 15 118.176 0.2 . 1 . . . . . . . . 4844 1 417 . 1 1 92 92 THR H H 1 8.091 0.04 . 1 . . . . . . . . 4844 1 418 . 1 1 92 92 THR C C 13 175.96 0.2 . 1 . . . . . . . . 4844 1 419 . 1 1 92 92 THR CA C 13 61.91 0.2 . 1 . . . . . . . . 4844 1 420 . 1 1 92 92 THR CB C 13 71.5 0.2 . 1 . . . . . . . . 4844 1 421 . 1 1 92 92 THR N N 15 107.485 0.2 . 1 . . . . . . . . 4844 1 422 . 1 1 93 93 GLY H H 1 6.508 0.04 . 1 . . . . . . . . 4844 1 423 . 1 1 93 93 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 4844 1 424 . 1 1 93 93 GLY CA C 13 46.12 0.2 . 1 . . . . . . . . 4844 1 425 . 1 1 93 93 GLY N N 15 110.161 0.2 . 1 . . . . . . . . 4844 1 426 . 1 1 94 94 HIS H H 1 7.799 0.04 . 1 . . . . . . . . 4844 1 427 . 1 1 94 94 HIS C C 13 175.29 0.2 . 1 . . . . . . . . 4844 1 428 . 1 1 94 94 HIS CA C 13 57.48 0.2 . 1 . . . . . . . . 4844 1 429 . 1 1 94 94 HIS CB C 13 33.01 0.2 . 1 . . . . . . . . 4844 1 430 . 1 1 94 94 HIS N N 15 123.017 0.2 . 1 . . . . . . . . 4844 1 431 . 1 1 95 95 ALA H H 1 9.208 0.04 . 1 . . . . . . . . 4844 1 432 . 1 1 95 95 ALA C C 13 178.08 0.2 . 1 . . . . . . . . 4844 1 433 . 1 1 95 95 ALA CA C 13 50.81 0.2 . 1 . . . . . . . . 4844 1 434 . 1 1 95 95 ALA CB C 13 20.42 0.2 . 1 . . . . . . . . 4844 1 435 . 1 1 95 95 ALA N N 15 124.305 0.2 . 1 . . . . . . . . 4844 1 436 . 1 1 96 96 GLU H H 1 9.009 0.04 . 1 . . . . . . . . 4844 1 437 . 1 1 96 96 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 4844 1 438 . 1 1 96 96 GLU CA C 13 57.94 0.2 . 1 . . . . . . . . 4844 1 439 . 1 1 96 96 GLU CB C 13 26.91 0.2 . 1 . . . . . . . . 4844 1 440 . 1 1 96 96 GLU N N 15 121.267 0.2 . 1 . . . . . . . . 4844 1 441 . 1 1 97 97 ALA H H 1 9.486 0.04 . 1 . . . . . . . . 4844 1 442 . 1 1 97 97 ALA C C 13 174.34 0.2 . 1 . . . . . . . . 4844 1 443 . 1 1 97 97 ALA CA C 13 50.81 0.2 . 1 . . . . . . . . 4844 1 444 . 1 1 97 97 ALA CB C 13 24.19 0.2 . 1 . . . . . . . . 4844 1 445 . 1 1 97 97 ALA N N 15 131.572 0.2 . 1 . . . . . . . . 4844 1 446 . 1 1 98 98 VAL H H 1 9.104 0.04 . 1 . . . . . . . . 4844 1 447 . 1 1 98 98 VAL C C 13 173.59 0.2 . 1 . . . . . . . . 4844 1 448 . 1 1 98 98 VAL CA C 13 60.19 0.2 . 1 . . . . . . . . 4844 1 449 . 1 1 98 98 VAL CB C 13 35.71 0.2 . 1 . . . . . . . . 4844 1 450 . 1 1 98 98 VAL N N 15 118.368 0.2 . 1 . . . . . . . . 4844 1 451 . 1 1 99 99 ARG H H 1 8.464 0.04 . 1 . . . . . . . . 4844 1 452 . 1 1 99 99 ARG C C 13 174.75 0.2 . 1 . . . . . . . . 4844 1 453 . 1 1 99 99 ARG CA C 13 54.2 0.2 . 1 . . . . . . . . 4844 1 454 . 1 1 99 99 ARG CB C 13 31.27 0.2 . 1 . . . . . . . . 4844 1 455 . 1 1 99 99 ARG N N 15 128.733 0.2 . 1 . . . . . . . . 4844 1 456 . 1 1 100 100 VAL H H 1 9.4 0.04 . 1 . . . . . . . . 4844 1 457 . 1 1 100 100 VAL C C 13 174.23 0.2 . 1 . . . . . . . . 4844 1 458 . 1 1 100 100 VAL CA C 13 61.59 0.2 . 1 . . . . . . . . 4844 1 459 . 1 1 100 100 VAL CB C 13 34.31 0.2 . 1 . . . . . . . . 4844 1 460 . 1 1 100 100 VAL N N 15 130.951 0.2 . 1 . . . . . . . . 4844 1 461 . 1 1 101 101 VAL H H 1 8.532 0.04 . 1 . . . . . . . . 4844 1 462 . 1 1 101 101 VAL C C 13 176.38 0.2 . 1 . . . . . . . . 4844 1 463 . 1 1 101 101 VAL CA C 13 61.23 0.2 . 1 . . . . . . . . 4844 1 464 . 1 1 101 101 VAL CB C 13 32.04 0.2 . 1 . . . . . . . . 4844 1 465 . 1 1 101 101 VAL N N 15 129.172 0.2 . 1 . . . . . . . . 4844 1 466 . 1 1 102 102 PHE H H 1 9.528 0.04 . 1 . . . . . . . . 4844 1 467 . 1 1 102 102 PHE C C 13 170.72 0.2 . 1 . . . . . . . . 4844 1 468 . 1 1 102 102 PHE CA C 13 55.15 0.2 . 1 . . . . . . . . 4844 1 469 . 1 1 102 102 PHE CB C 13 42.78 0.2 . 1 . . . . . . . . 4844 1 470 . 1 1 102 102 PHE N N 15 127.316 0.2 . 1 . . . . . . . . 4844 1 471 . 1 1 103 103 ASP H H 1 8.318 0.04 . 1 . . . . . . . . 4844 1 472 . 1 1 103 103 ASP C C 13 175.38 0.2 . 1 . . . . . . . . 4844 1 473 . 1 1 103 103 ASP CA C 13 50.34 0.2 . 1 . . . . . . . . 4844 1 474 . 1 1 103 103 ASP CB C 13 41.96 0.2 . 1 . . . . . . . . 4844 1 475 . 1 1 103 103 ASP N N 15 121.787 0.2 . 1 . . . . . . . . 4844 1 476 . 1 1 104 104 PRO C C 13 177.6 0.2 . 1 . . . . . . . . 4844 1 477 . 1 1 104 104 PRO CA C 13 63.35 0.2 . 1 . . . . . . . . 4844 1 478 . 1 1 104 104 PRO CB C 13 31.98 0.2 . 1 . . . . . . . . 4844 1 479 . 1 1 105 105 ALA H H 1 8.078 0.04 . 1 . . . . . . . . 4844 1 480 . 1 1 105 105 ALA C C 13 177.73 0.2 . 1 . . . . . . . . 4844 1 481 . 1 1 105 105 ALA CA C 13 53.5 0.2 . 1 . . . . . . . . 4844 1 482 . 1 1 105 105 ALA CB C 13 18.41 0.2 . 1 . . . . . . . . 4844 1 483 . 1 1 105 105 ALA N N 15 122.174 0.2 . 1 . . . . . . . . 4844 1 484 . 1 1 106 106 VAL H H 1 8.09 0.04 . 1 . . . . . . . . 4844 1 485 . 1 1 106 106 VAL C C 13 174.98 0.2 . 1 . . . . . . . . 4844 1 486 . 1 1 106 106 VAL CA C 13 63.91 0.2 . 1 . . . . . . . . 4844 1 487 . 1 1 106 106 VAL CB C 13 34.64 0.2 . 1 . . . . . . . . 4844 1 488 . 1 1 106 106 VAL N N 15 120.881 0.2 . 1 . . . . . . . . 4844 1 489 . 1 1 107 107 VAL H H 1 8.539 0.04 . 1 . . . . . . . . 4844 1 490 . 1 1 107 107 VAL C C 13 170.55 0.2 . 1 . . . . . . . . 4844 1 491 . 1 1 107 107 VAL CA C 13 59.12 0.2 . 1 . . . . . . . . 4844 1 492 . 1 1 107 107 VAL CB C 13 34.65 0.2 . 1 . . . . . . . . 4844 1 493 . 1 1 107 107 VAL N N 15 123.258 0.2 . 1 . . . . . . . . 4844 1 494 . 1 1 108 108 SER H H 1 8.246 0.04 . 1 . . . . . . . . 4844 1 495 . 1 1 108 108 SER C C 13 175.34 0.2 . 1 . . . . . . . . 4844 1 496 . 1 1 108 108 SER CA C 13 56.55 0.2 . 1 . . . . . . . . 4844 1 497 . 1 1 108 108 SER CB C 13 66.68 0.2 . 1 . . . . . . . . 4844 1 498 . 1 1 108 108 SER N N 15 121.778 0.2 . 1 . . . . . . . . 4844 1 499 . 1 1 109 109 TYR H H 1 9.652 0.04 . 1 . . . . . . . . 4844 1 500 . 1 1 109 109 TYR C C 13 175.38 0.2 . 1 . . . . . . . . 4844 1 501 . 1 1 109 109 TYR CA C 13 64.15 0.2 . 1 . . . . . . . . 4844 1 502 . 1 1 109 109 TYR CB C 13 36.04 0.2 . 1 . . . . . . . . 4844 1 503 . 1 1 109 109 TYR N N 15 122.88 0.2 . 1 . . . . . . . . 4844 1 504 . 1 1 110 110 PRO C C 13 179.1 0.2 . 1 . . . . . . . . 4844 1 505 . 1 1 110 110 PRO CA C 13 66.73 0.2 . 1 . . . . . . . . 4844 1 506 . 1 1 110 110 PRO CB C 13 31.05 0.2 . 1 . . . . . . . . 4844 1 507 . 1 1 111 111 GLN H H 1 7.482 0.04 . 1 . . . . . . . . 4844 1 508 . 1 1 111 111 GLN C C 13 179.47 0.2 . 1 . . . . . . . . 4844 1 509 . 1 1 111 111 GLN CA C 13 59.46 0.2 . 1 . . . . . . . . 4844 1 510 . 1 1 111 111 GLN CB C 13 28.96 0.2 . 1 . . . . . . . . 4844 1 511 . 1 1 111 111 GLN N N 15 119.629 0.2 . 1 . . . . . . . . 4844 1 512 . 1 1 112 112 LEU H H 1 7.684 0.04 . 1 . . . . . . . . 4844 1 513 . 1 1 112 112 LEU C C 13 178.66 0.2 . 1 . . . . . . . . 4844 1 514 . 1 1 112 112 LEU CA C 13 57.95 0.2 . 1 . . . . . . . . 4844 1 515 . 1 1 112 112 LEU CB C 13 39.93 0.2 . 1 . . . . . . . . 4844 1 516 . 1 1 112 112 LEU N N 15 123.305 0.2 . 1 . . . . . . . . 4844 1 517 . 1 1 113 113 LEU H H 1 8.019 0.04 . 1 . . . . . . . . 4844 1 518 . 1 1 113 113 LEU C C 13 178.02 0.2 . 1 . . . . . . . . 4844 1 519 . 1 1 113 113 LEU CA C 13 57.02 0.2 . 1 . . . . . . . . 4844 1 520 . 1 1 113 113 LEU CB C 13 40.76 0.2 . 1 . . . . . . . . 4844 1 521 . 1 1 113 113 LEU N N 15 118.996 0.2 . 1 . . . . . . . . 4844 1 522 . 1 1 114 114 GLN H H 1 7.417 0.04 . 1 . . . . . . . . 4844 1 523 . 1 1 114 114 GLN C C 13 176.56 0.2 . 1 . . . . . . . . 4844 1 524 . 1 1 114 114 GLN CA C 13 60.41 0.2 . 1 . . . . . . . . 4844 1 525 . 1 1 114 114 GLN CB C 13 27.19 0.2 . 1 . . . . . . . . 4844 1 526 . 1 1 114 114 GLN N N 15 120.218 0.2 . 1 . . . . . . . . 4844 1 527 . 1 1 115 115 LEU H H 1 6.722 0.04 . 1 . . . . . . . . 4844 1 528 . 1 1 115 115 LEU C C 13 179.18 0.2 . 1 . . . . . . . . 4844 1 529 . 1 1 115 115 LEU CA C 13 57.48 0.2 . 1 . . . . . . . . 4844 1 530 . 1 1 115 115 LEU CB C 13 41.62 0.2 . 1 . . . . . . . . 4844 1 531 . 1 1 115 115 LEU N N 15 118.344 0.2 . 1 . . . . . . . . 4844 1 532 . 1 1 116 116 PHE H H 1 7.473 0.04 . 1 . . . . . . . . 4844 1 533 . 1 1 116 116 PHE C C 13 176.67 0.2 . 1 . . . . . . . . 4844 1 534 . 1 1 116 116 PHE CA C 13 60.31 0.2 . 1 . . . . . . . . 4844 1 535 . 1 1 116 116 PHE N N 15 120.405 0.2 . 1 . . . . . . . . 4844 1 536 . 1 1 117 117 TRP H H 1 8.296 0.04 . 1 . . . . . . . . 4844 1 537 . 1 1 117 117 TRP C C 13 176.55 0.2 . 1 . . . . . . . . 4844 1 538 . 1 1 117 117 TRP CA C 13 60.05 0.2 . 1 . . . . . . . . 4844 1 539 . 1 1 117 117 TRP CB C 13 29.53 0.2 . 1 . . . . . . . . 4844 1 540 . 1 1 117 117 TRP N N 15 120.48 0.2 . 1 . . . . . . . . 4844 1 541 . 1 1 118 118 GLU H H 1 7.39 0.04 . 1 . . . . . . . . 4844 1 542 . 1 1 118 118 GLU C C 13 178.09 0.2 . 1 . . . . . . . . 4844 1 543 . 1 1 118 118 GLU CA C 13 57.95 0.2 . 1 . . . . . . . . 4844 1 544 . 1 1 118 118 GLU CB C 13 30 0.2 . 1 . . . . . . . . 4844 1 545 . 1 1 118 118 GLU N N 15 109.08 0.2 . 1 . . . . . . . . 4844 1 546 . 1 1 119 119 ASN H H 1 6.761 0.04 . 1 . . . . . . . . 4844 1 547 . 1 1 119 119 ASN C C 13 172.44 0.2 . 1 . . . . . . . . 4844 1 548 . 1 1 119 119 ASN CA C 13 54.19 0.2 . 1 . . . . . . . . 4844 1 549 . 1 1 119 119 ASN CB C 13 41.12 0.2 . 1 . . . . . . . . 4844 1 550 . 1 1 119 119 ASN N N 15 114.044 0.2 . 1 . . . . . . . . 4844 1 551 . 1 1 120 120 HIS H H 1 7.257 0.04 . 1 . . . . . . . . 4844 1 552 . 1 1 120 120 HIS C C 13 171.72 0.2 . 1 . . . . . . . . 4844 1 553 . 1 1 120 120 HIS CA C 13 54.91 0.2 . 1 . . . . . . . . 4844 1 554 . 1 1 120 120 HIS CB C 13 30.58 0.2 . 1 . . . . . . . . 4844 1 555 . 1 1 120 120 HIS N N 15 113.966 0.2 . 1 . . . . . . . . 4844 1 556 . 1 1 121 121 ASN H H 1 9.193 0.04 . 1 . . . . . . . . 4844 1 557 . 1 1 121 121 ASN C C 13 174.7 0.2 . 1 . . . . . . . . 4844 1 558 . 1 1 121 121 ASN CA C 13 49.76 0.2 . 1 . . . . . . . . 4844 1 559 . 1 1 121 121 ASN CB C 13 38.67 0.2 . 1 . . . . . . . . 4844 1 560 . 1 1 121 121 ASN N N 15 120.011 0.2 . 1 . . . . . . . . 4844 1 561 . 1 1 122 122 PRO C C 13 173.72 0.2 . 1 . . . . . . . . 4844 1 562 . 1 1 122 122 PRO CA C 13 63.93 0.2 . 1 . . . . . . . . 4844 1 563 . 1 1 122 122 PRO CB C 13 31.79 0.2 . 1 . . . . . . . . 4844 1 564 . 1 1 123 123 ALA H H 1 7.804 0.04 . 1 . . . . . . . . 4844 1 565 . 1 1 123 123 ALA C C 13 177.55 0.2 . 1 . . . . . . . . 4844 1 566 . 1 1 123 123 ALA CA C 13 51.39 0.2 . 1 . . . . . . . . 4844 1 567 . 1 1 123 123 ALA CB C 13 20.98 0.2 . 1 . . . . . . . . 4844 1 568 . 1 1 123 123 ALA N N 15 124.74 0.2 . 1 . . . . . . . . 4844 1 569 . 1 1 124 124 GLN H H 1 8.742 0.04 . 1 . . . . . . . . 4844 1 570 . 1 1 124 124 GLN C C 13 176.16 0.2 . 1 . . . . . . . . 4844 1 571 . 1 1 124 124 GLN CA C 13 56.18 0.2 . 1 . . . . . . . . 4844 1 572 . 1 1 124 124 GLN CB C 13 31.32 0.2 . 1 . . . . . . . . 4844 1 573 . 1 1 124 124 GLN N N 15 120.488 0.2 . 1 . . . . . . . . 4844 1 574 . 1 1 125 125 GLY H H 1 8.374 0.04 . 1 . . . . . . . . 4844 1 575 . 1 1 125 125 GLY C C 13 176.37 0.2 . 1 . . . . . . . . 4844 1 576 . 1 1 125 125 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 4844 1 577 . 1 1 125 125 GLY N N 15 111.891 0.2 . 1 . . . . . . . . 4844 1 578 . 1 1 126 126 MET H H 1 8.83 0.04 . 1 . . . . . . . . 4844 1 579 . 1 1 126 126 MET C C 13 175.49 0.2 . 1 . . . . . . . . 4844 1 580 . 1 1 126 126 MET CA C 13 52.49 0.2 . 1 . . . . . . . . 4844 1 581 . 1 1 126 126 MET CB C 13 29.51 0.2 . 1 . . . . . . . . 4844 1 582 . 1 1 126 126 MET N N 15 129.947 0.2 . 1 . . . . . . . . 4844 1 583 . 1 1 127 127 ARG H H 1 7.897 0.04 . 1 . . . . . . . . 4844 1 584 . 1 1 127 127 ARG C C 13 173.36 0.2 . 1 . . . . . . . . 4844 1 585 . 1 1 127 127 ARG CA C 13 55.72 0.2 . 1 . . . . . . . . 4844 1 586 . 1 1 127 127 ARG CB C 13 31.82 0.2 . 1 . . . . . . . . 4844 1 587 . 1 1 127 127 ARG N N 15 120.4 0.2 . 1 . . . . . . . . 4844 1 588 . 1 1 128 128 GLN H H 1 8.68 0.04 . 1 . . . . . . . . 4844 1 589 . 1 1 128 128 GLN C C 13 175.61 0.2 . 1 . . . . . . . . 4844 1 590 . 1 1 128 128 GLN CA C 13 55.38 0.2 . 1 . . . . . . . . 4844 1 591 . 1 1 128 128 GLN CB C 13 29.73 0.2 . 1 . . . . . . . . 4844 1 592 . 1 1 128 128 GLN N N 15 122.641 0.2 . 1 . . . . . . . . 4844 1 593 . 1 1 129 129 GLY H H 1 9.625 0.04 . 1 . . . . . . . . 4844 1 594 . 1 1 129 129 GLY C C 13 175.03 0.2 . 1 . . . . . . . . 4844 1 595 . 1 1 129 129 GLY CA C 13 47.17 0.2 . 1 . . . . . . . . 4844 1 596 . 1 1 129 129 GLY N N 15 120.46 0.2 . 1 . . . . . . . . 4844 1 597 . 1 1 130 130 ASN H H 1 8.861 0.04 . 1 . . . . . . . . 4844 1 598 . 1 1 130 130 ASN C C 13 174.1 0.2 . 1 . . . . . . . . 4844 1 599 . 1 1 130 130 ASN CA C 13 53.51 0.2 . 1 . . . . . . . . 4844 1 600 . 1 1 130 130 ASN CB C 13 38.91 0.2 . 1 . . . . . . . . 4844 1 601 . 1 1 130 130 ASN N N 15 127.029 0.2 . 1 . . . . . . . . 4844 1 602 . 1 1 131 131 ASP H H 1 8.035 0.04 . 1 . . . . . . . . 4844 1 603 . 1 1 131 131 ASP C C 13 173.05 0.2 . 1 . . . . . . . . 4844 1 604 . 1 1 131 131 ASP CA C 13 54.78 0.2 . 1 . . . . . . . . 4844 1 605 . 1 1 131 131 ASP CB C 13 38.94 0.2 . 1 . . . . . . . . 4844 1 606 . 1 1 131 131 ASP N N 15 123.771 0.2 . 1 . . . . . . . . 4844 1 607 . 1 1 132 132 ILE H H 1 8.17 0.04 . 1 . . . . . . . . 4844 1 608 . 1 1 132 132 ILE C C 13 175.51 0.2 . 1 . . . . . . . . 4844 1 609 . 1 1 132 132 ILE CA C 13 61.46 0.2 . 1 . . . . . . . . 4844 1 610 . 1 1 132 132 ILE CB C 13 38.76 0.2 . 1 . . . . . . . . 4844 1 611 . 1 1 132 132 ILE N N 15 126.073 0.2 . 1 . . . . . . . . 4844 1 612 . 1 1 133 133 GLY H H 1 8.071 0.04 . 1 . . . . . . . . 4844 1 613 . 1 1 133 133 GLY C C 13 174.35 0.2 . 1 . . . . . . . . 4844 1 614 . 1 1 133 133 GLY CA C 13 44.47 0.2 . 1 . . . . . . . . 4844 1 615 . 1 1 133 133 GLY N N 15 116.599 0.2 . 1 . . . . . . . . 4844 1 616 . 1 1 134 134 THR H H 1 8.415 0.04 . 1 . . . . . . . . 4844 1 617 . 1 1 134 134 THR C C 13 177.48 0.2 . 1 . . . . . . . . 4844 1 618 . 1 1 134 134 THR CA C 13 64.51 0.2 . 1 . . . . . . . . 4844 1 619 . 1 1 134 134 THR CB C 13 69.17 0.2 . 1 . . . . . . . . 4844 1 620 . 1 1 134 134 THR N N 15 114.325 0.2 . 1 . . . . . . . . 4844 1 621 . 1 1 135 135 GLN H H 1 9.526 0.04 . 1 . . . . . . . . 4844 1 622 . 1 1 135 135 GLN C C 13 173.94 0.2 . 1 . . . . . . . . 4844 1 623 . 1 1 135 135 GLN CA C 13 56.66 0.2 . 1 . . . . . . . . 4844 1 624 . 1 1 135 135 GLN CB C 13 26.99 0.2 . 1 . . . . . . . . 4844 1 625 . 1 1 135 135 GLN N N 15 124.008 0.2 . 1 . . . . . . . . 4844 1 626 . 1 1 136 136 TYR H H 1 7.211 0.04 . 1 . . . . . . . . 4844 1 627 . 1 1 136 136 TYR C C 13 174.4 0.2 . 1 . . . . . . . . 4844 1 628 . 1 1 136 136 TYR CA C 13 56.55 0.2 . 1 . . . . . . . . 4844 1 629 . 1 1 136 136 TYR CB C 13 38.42 0.2 . 1 . . . . . . . . 4844 1 630 . 1 1 136 136 TYR N N 15 120.97 0.2 . 1 . . . . . . . . 4844 1 631 . 1 1 137 137 ARG H H 1 6.62 0.04 . 1 . . . . . . . . 4844 1 632 . 1 1 137 137 ARG C C 13 171.65 0.2 . 1 . . . . . . . . 4844 1 633 . 1 1 137 137 ARG CA C 13 55.38 0.2 . 1 . . . . . . . . 4844 1 634 . 1 1 137 137 ARG CB C 13 30.25 0.2 . 1 . . . . . . . . 4844 1 635 . 1 1 137 137 ARG N N 15 117.782 0.2 . 1 . . . . . . . . 4844 1 636 . 1 1 138 138 SER H H 1 7.449 0.04 . 1 . . . . . . . . 4844 1 637 . 1 1 138 138 SER C C 13 176.61 0.2 . 1 . . . . . . . . 4844 1 638 . 1 1 138 138 SER CA C 13 57.13 0.2 . 1 . . . . . . . . 4844 1 639 . 1 1 138 138 SER CB C 13 61.76 0.2 . 1 . . . . . . . . 4844 1 640 . 1 1 138 138 SER N N 15 115.301 0.2 . 1 . . . . . . . . 4844 1 641 . 1 1 139 139 ALA H H 1 10.144 0.04 . 1 . . . . . . . . 4844 1 642 . 1 1 139 139 ALA C C 13 173.83 0.2 . 1 . . . . . . . . 4844 1 643 . 1 1 139 139 ALA CA C 13 53.03 0.2 . 1 . . . . . . . . 4844 1 644 . 1 1 139 139 ALA CB C 13 22.55 0.2 . 1 . . . . . . . . 4844 1 645 . 1 1 139 139 ALA N N 15 134.6 0.2 . 1 . . . . . . . . 4844 1 646 . 1 1 140 140 ILE H H 1 8.089 0.04 . 1 . . . . . . . . 4844 1 647 . 1 1 140 140 ILE C C 13 173.87 0.2 . 1 . . . . . . . . 4844 1 648 . 1 1 140 140 ILE CA C 13 61.47 0.2 . 1 . . . . . . . . 4844 1 649 . 1 1 140 140 ILE CB C 13 40.04 0.2 . 1 . . . . . . . . 4844 1 650 . 1 1 140 140 ILE N N 15 121.165 0.2 . 1 . . . . . . . . 4844 1 651 . 1 1 141 141 TYR H H 1 6.775 0.04 . 1 . . . . . . . . 4844 1 652 . 1 1 141 141 TYR C C 13 176.74 0.2 . 1 . . . . . . . . 4844 1 653 . 1 1 141 141 TYR CA C 13 54.68 0.2 . 1 . . . . . . . . 4844 1 654 . 1 1 141 141 TYR CB C 13 37.9 0.2 . 1 . . . . . . . . 4844 1 655 . 1 1 141 141 TYR N N 15 126.386 0.2 . 1 . . . . . . . . 4844 1 656 . 1 1 142 142 THR H H 1 8.549 0.04 . 1 . . . . . . . . 4844 1 657 . 1 1 142 142 THR C C 13 175.75 0.2 . 1 . . . . . . . . 4844 1 658 . 1 1 142 142 THR CA C 13 62.16 0.2 . 1 . . . . . . . . 4844 1 659 . 1 1 142 142 THR CB C 13 69.99 0.2 . 1 . . . . . . . . 4844 1 660 . 1 1 142 142 THR N N 15 116.679 0.2 . 1 . . . . . . . . 4844 1 661 . 1 1 143 143 LEU H H 1 8.369 0.04 . 1 . . . . . . . . 4844 1 662 . 1 1 143 143 LEU C C 13 177.07 0.2 . 1 . . . . . . . . 4844 1 663 . 1 1 143 143 LEU CA C 13 55.24 0.2 . 1 . . . . . . . . 4844 1 664 . 1 1 143 143 LEU CB C 13 43.85 0.2 . 1 . . . . . . . . 4844 1 665 . 1 1 143 143 LEU N N 15 123.258 0.2 . 1 . . . . . . . . 4844 1 666 . 1 1 144 144 THR H H 1 6.834 0.04 . 1 . . . . . . . . 4844 1 667 . 1 1 144 144 THR C C 13 175.52 0.2 . 1 . . . . . . . . 4844 1 668 . 1 1 144 144 THR CA C 13 58.53 0.2 . 1 . . . . . . . . 4844 1 669 . 1 1 144 144 THR CB C 13 73.43 0.2 . 1 . . . . . . . . 4844 1 670 . 1 1 144 144 THR N N 15 108.166 0.2 . 1 . . . . . . . . 4844 1 671 . 1 1 145 145 THR H H 1 8.92 0.04 . 1 . . . . . . . . 4844 1 672 . 1 1 145 145 THR C C 13 176.21 0.2 . 1 . . . . . . . . 4844 1 673 . 1 1 145 145 THR CA C 13 66.03 0.2 . 1 . . . . . . . . 4844 1 674 . 1 1 145 145 THR CB C 13 68.5 0.2 . 1 . . . . . . . . 4844 1 675 . 1 1 145 145 THR N N 15 120.378 0.2 . 1 . . . . . . . . 4844 1 676 . 1 1 146 146 GLU H H 1 8.391 0.04 . 1 . . . . . . . . 4844 1 677 . 1 1 146 146 GLU C C 13 180.42 0.2 . 1 . . . . . . . . 4844 1 678 . 1 1 146 146 GLU CA C 13 60.42 0.2 . 1 . . . . . . . . 4844 1 679 . 1 1 146 146 GLU CB C 13 28.73 0.2 . 1 . . . . . . . . 4844 1 680 . 1 1 146 146 GLU N N 15 123.785 0.2 . 1 . . . . . . . . 4844 1 681 . 1 1 147 147 GLN H H 1 7.786 0.04 . 1 . . . . . . . . 4844 1 682 . 1 1 147 147 GLN C C 13 177.9 0.2 . 1 . . . . . . . . 4844 1 683 . 1 1 147 147 GLN CA C 13 59 0.2 . 1 . . . . . . . . 4844 1 684 . 1 1 147 147 GLN CB C 13 27.7 0.2 . 1 . . . . . . . . 4844 1 685 . 1 1 147 147 GLN N N 15 121.06 0.2 . 1 . . . . . . . . 4844 1 686 . 1 1 148 148 GLU H H 1 7.628 0.04 . 1 . . . . . . . . 4844 1 687 . 1 1 148 148 GLU C C 13 178.06 0.2 . 1 . . . . . . . . 4844 1 688 . 1 1 148 148 GLU CA C 13 61.01 0.2 . 1 . . . . . . . . 4844 1 689 . 1 1 148 148 GLU CB C 13 29.18 0.2 . 1 . . . . . . . . 4844 1 690 . 1 1 148 148 GLU N N 15 121.326 0.2 . 1 . . . . . . . . 4844 1 691 . 1 1 149 149 THR H H 1 8.373 0.04 . 1 . . . . . . . . 4844 1 692 . 1 1 149 149 THR C C 13 176.78 0.2 . 1 . . . . . . . . 4844 1 693 . 1 1 149 149 THR CA C 13 66.62 0.2 . 1 . . . . . . . . 4844 1 694 . 1 1 149 149 THR CB C 13 68.88 0.2 . 1 . . . . . . . . 4844 1 695 . 1 1 149 149 THR N N 15 116.789 0.2 . 1 . . . . . . . . 4844 1 696 . 1 1 150 150 ALA H H 1 7.741 0.04 . 1 . . . . . . . . 4844 1 697 . 1 1 150 150 ALA C C 13 180.99 0.2 . 1 . . . . . . . . 4844 1 698 . 1 1 150 150 ALA CA C 13 55.24 0.2 . 1 . . . . . . . . 4844 1 699 . 1 1 150 150 ALA CB C 13 18.65 0.2 . 1 . . . . . . . . 4844 1 700 . 1 1 150 150 ALA N N 15 124.775 0.2 . 1 . . . . . . . . 4844 1 701 . 1 1 151 151 ALA H H 1 9.484 0.04 . 1 . . . . . . . . 4844 1 702 . 1 1 151 151 ALA C C 13 181.1 0.2 . 1 . . . . . . . . 4844 1 703 . 1 1 151 151 ALA CA C 13 55.61 0.2 . 1 . . . . . . . . 4844 1 704 . 1 1 151 151 ALA CB C 13 18.81 0.2 . 1 . . . . . . . . 4844 1 705 . 1 1 151 151 ALA N N 15 124.544 0.2 . 1 . . . . . . . . 4844 1 706 . 1 1 152 152 LYS H H 1 8.533 0.04 . 1 . . . . . . . . 4844 1 707 . 1 1 152 152 LYS C C 13 179.34 0.2 . 1 . . . . . . . . 4844 1 708 . 1 1 152 152 LYS CA C 13 60.98 0.2 . 1 . . . . . . . . 4844 1 709 . 1 1 152 152 LYS CB C 13 31.91 0.2 . 1 . . . . . . . . 4844 1 710 . 1 1 152 152 LYS N N 15 121.543 0.2 . 1 . . . . . . . . 4844 1 711 . 1 1 153 153 GLU H H 1 8.054 0.04 . 1 . . . . . . . . 4844 1 712 . 1 1 153 153 GLU C C 13 179.35 0.2 . 1 . . . . . . . . 4844 1 713 . 1 1 153 153 GLU CA C 13 60.05 0.2 . 1 . . . . . . . . 4844 1 714 . 1 1 153 153 GLU CB C 13 29.06 0.2 . 1 . . . . . . . . 4844 1 715 . 1 1 153 153 GLU N N 15 121.852 0.2 . 1 . . . . . . . . 4844 1 716 . 1 1 154 154 SER H H 1 8.304 0.04 . 1 . . . . . . . . 4844 1 717 . 1 1 154 154 SER C C 13 174.35 0.2 . 1 . . . . . . . . 4844 1 718 . 1 1 154 154 SER CA C 13 62.28 0.2 . 1 . . . . . . . . 4844 1 719 . 1 1 154 154 SER CB C 13 62.9 0.2 . 1 . . . . . . . . 4844 1 720 . 1 1 154 154 SER N N 15 117.333 0.2 . 1 . . . . . . . . 4844 1 721 . 1 1 155 155 TYR H H 1 7.906 0.04 . 1 . . . . . . . . 4844 1 722 . 1 1 155 155 TYR C C 13 176.73 0.2 . 1 . . . . . . . . 4844 1 723 . 1 1 155 155 TYR CA C 13 60.06 0.2 . 1 . . . . . . . . 4844 1 724 . 1 1 155 155 TYR CB C 13 38.76 0.2 . 1 . . . . . . . . 4844 1 725 . 1 1 155 155 TYR N N 15 127.014 0.2 . 1 . . . . . . . . 4844 1 726 . 1 1 156 156 GLN H H 1 7.392 0.04 . 1 . . . . . . . . 4844 1 727 . 1 1 156 156 GLN C C 13 179.53 0.2 . 1 . . . . . . . . 4844 1 728 . 1 1 156 156 GLN CA C 13 58.88 0.2 . 1 . . . . . . . . 4844 1 729 . 1 1 156 156 GLN CB C 13 28.03 0.2 . 1 . . . . . . . . 4844 1 730 . 1 1 156 156 GLN N N 15 119.201 0.2 . 1 . . . . . . . . 4844 1 731 . 1 1 157 157 ARG H H 1 7.819 0.04 . 1 . . . . . . . . 4844 1 732 . 1 1 157 157 ARG C C 13 178.9 0.2 . 1 . . . . . . . . 4844 1 733 . 1 1 157 157 ARG CA C 13 59.37 0.2 . 1 . . . . . . . . 4844 1 734 . 1 1 157 157 ARG CB C 13 30.43 0.2 . 1 . . . . . . . . 4844 1 735 . 1 1 157 157 ARG N N 15 119.735 0.2 . 1 . . . . . . . . 4844 1 736 . 1 1 158 158 PHE H H 1 8.579 0.04 . 1 . . . . . . . . 4844 1 737 . 1 1 158 158 PHE C C 13 176.79 0.2 . 1 . . . . . . . . 4844 1 738 . 1 1 158 158 PHE CA C 13 62.76 0.2 . 1 . . . . . . . . 4844 1 739 . 1 1 158 158 PHE CB C 13 37.19 0.2 . 1 . . . . . . . . 4844 1 740 . 1 1 158 158 PHE N N 15 124.735 0.2 . 1 . . . . . . . . 4844 1 741 . 1 1 159 159 GLN H H 1 8.271 0.04 . 1 . . . . . . . . 4844 1 742 . 1 1 159 159 GLN C C 13 178.78 0.2 . 1 . . . . . . . . 4844 1 743 . 1 1 159 159 GLN CA C 13 58.75 0.2 . 1 . . . . . . . . 4844 1 744 . 1 1 159 159 GLN CB C 13 29.06 0.2 . 1 . . . . . . . . 4844 1 745 . 1 1 159 159 GLN N N 15 119.439 0.2 . 1 . . . . . . . . 4844 1 746 . 1 1 160 160 GLN H H 1 7.321 0.04 . 1 . . . . . . . . 4844 1 747 . 1 1 160 160 GLN C C 13 176.84 0.2 . 1 . . . . . . . . 4844 1 748 . 1 1 160 160 GLN CA C 13 58.18 0.2 . 1 . . . . . . . . 4844 1 749 . 1 1 160 160 GLN CB C 13 27.87 0.2 . 1 . . . . . . . . 4844 1 750 . 1 1 160 160 GLN N N 15 119.477 0.2 . 1 . . . . . . . . 4844 1 751 . 1 1 161 161 ALA H H 1 7.616 0.04 . 1 . . . . . . . . 4844 1 752 . 1 1 161 161 ALA C C 13 181.09 0.2 . 1 . . . . . . . . 4844 1 753 . 1 1 161 161 ALA CA C 13 55.12 0.2 . 1 . . . . . . . . 4844 1 754 . 1 1 161 161 ALA CB C 13 17.43 0.2 . 1 . . . . . . . . 4844 1 755 . 1 1 161 161 ALA N N 15 124.253 0.2 . 1 . . . . . . . . 4844 1 756 . 1 1 162 162 MET H H 1 8.127 0.04 . 1 . . . . . . . . 4844 1 757 . 1 1 162 162 MET C C 13 177.77 0.2 . 1 . . . . . . . . 4844 1 758 . 1 1 162 162 MET CA C 13 60.39 0.2 . 1 . . . . . . . . 4844 1 759 . 1 1 162 162 MET CB C 13 32.94 0.2 . 1 . . . . . . . . 4844 1 760 . 1 1 162 162 MET N N 15 120.306 0.2 . 1 . . . . . . . . 4844 1 761 . 1 1 163 163 ARG H H 1 7.44 0.04 . 1 . . . . . . . . 4844 1 762 . 1 1 163 163 ARG C C 13 181.35 0.2 . 1 . . . . . . . . 4844 1 763 . 1 1 163 163 ARG CA C 13 59.35 0.2 . 1 . . . . . . . . 4844 1 764 . 1 1 163 163 ARG CB C 13 29.1 0.2 . 1 . . . . . . . . 4844 1 765 . 1 1 163 163 ARG N N 15 121.22 0.2 . 1 . . . . . . . . 4844 1 766 . 1 1 164 164 ASP H H 1 8.645 0.04 . 1 . . . . . . . . 4844 1 767 . 1 1 164 164 ASP C C 13 176.96 0.2 . 1 . . . . . . . . 4844 1 768 . 1 1 164 164 ASP CA C 13 57.24 0.2 . 1 . . . . . . . . 4844 1 769 . 1 1 164 164 ASP CB C 13 40.06 0.2 . 1 . . . . . . . . 4844 1 770 . 1 1 164 164 ASP N N 15 123.508 0.2 . 1 . . . . . . . . 4844 1 771 . 1 1 165 165 ALA H H 1 7.259 0.04 . 1 . . . . . . . . 4844 1 772 . 1 1 165 165 ALA C C 13 177.66 0.2 . 1 . . . . . . . . 4844 1 773 . 1 1 165 165 ALA CA C 13 51.97 0.2 . 1 . . . . . . . . 4844 1 774 . 1 1 165 165 ALA CB C 13 18.93 0.2 . 1 . . . . . . . . 4844 1 775 . 1 1 165 165 ALA N N 15 122.064 0.2 . 1 . . . . . . . . 4844 1 776 . 1 1 166 166 GLY H H 1 7.688 0.04 . 1 . . . . . . . . 4844 1 777 . 1 1 166 166 GLY C C 13 173.19 0.2 . 1 . . . . . . . . 4844 1 778 . 1 1 166 166 GLY CA C 13 45.66 0.2 . 1 . . . . . . . . 4844 1 779 . 1 1 166 166 GLY N N 15 108.913 0.2 . 1 . . . . . . . . 4844 1 780 . 1 1 167 167 ASN H H 1 7.984 0.04 . 1 . . . . . . . . 4844 1 781 . 1 1 167 167 ASN C C 13 174.53 0.2 . 1 . . . . . . . . 4844 1 782 . 1 1 167 167 ASN CA C 13 52.33 0.2 . 1 . . . . . . . . 4844 1 783 . 1 1 167 167 ASN CB C 13 38.76 0.2 . 1 . . . . . . . . 4844 1 784 . 1 1 167 167 ASN N N 15 122.067 0.2 . 1 . . . . . . . . 4844 1 785 . 1 1 168 168 ASP H H 1 8.152 0.04 . 1 . . . . . . . . 4844 1 786 . 1 1 168 168 ASP C C 13 176.29 0.2 . 1 . . . . . . . . 4844 1 787 . 1 1 168 168 ASP CA C 13 53.74 0.2 . 1 . . . . . . . . 4844 1 788 . 1 1 168 168 ASP CB C 13 40.58 0.2 . 1 . . . . . . . . 4844 1 789 . 1 1 168 168 ASP N N 15 125.594 0.2 . 1 . . . . . . . . 4844 1 790 . 1 1 169 169 HIS H H 1 8.164 0.04 . 1 . . . . . . . . 4844 1 791 . 1 1 169 169 HIS C C 13 174.63 0.2 . 1 . . . . . . . . 4844 1 792 . 1 1 169 169 HIS CA C 13 56.44 0.2 . 1 . . . . . . . . 4844 1 793 . 1 1 169 169 HIS CB C 13 29.33 0.2 . 1 . . . . . . . . 4844 1 794 . 1 1 169 169 HIS N N 15 119.573 0.2 . 1 . . . . . . . . 4844 1 795 . 1 1 170 170 ASP H H 1 8.358 0.04 . 1 . . . . . . . . 4844 1 796 . 1 1 170 170 ASP C C 13 176.08 0.2 . 1 . . . . . . . . 4844 1 797 . 1 1 170 170 ASP CA C 13 54.44 0.2 . 1 . . . . . . . . 4844 1 798 . 1 1 170 170 ASP CB C 13 41.14 0.2 . 1 . . . . . . . . 4844 1 799 . 1 1 170 170 ASP N N 15 124.042 0.2 . 1 . . . . . . . . 4844 1 800 . 1 1 171 171 ILE H H 1 8.592 0.04 . 1 . . . . . . . . 4844 1 801 . 1 1 171 171 ILE C C 13 177.26 0.2 . 1 . . . . . . . . 4844 1 802 . 1 1 171 171 ILE CA C 13 63.7 0.2 . 1 . . . . . . . . 4844 1 803 . 1 1 171 171 ILE CB C 13 39.27 0.2 . 1 . . . . . . . . 4844 1 804 . 1 1 171 171 ILE N N 15 124.994 0.2 . 1 . . . . . . . . 4844 1 805 . 1 1 172 172 THR H H 1 9.869 0.04 . 1 . . . . . . . . 4844 1 806 . 1 1 172 172 THR C C 13 175.35 0.2 . 1 . . . . . . . . 4844 1 807 . 1 1 172 172 THR CA C 13 62.41 0.2 . 1 . . . . . . . . 4844 1 808 . 1 1 172 172 THR CB C 13 69.76 0.2 . 1 . . . . . . . . 4844 1 809 . 1 1 172 172 THR N N 15 118.998 0.2 . 1 . . . . . . . . 4844 1 810 . 1 1 173 173 THR H H 1 7.746 0.04 . 1 . . . . . . . . 4844 1 811 . 1 1 173 173 THR C C 13 173.34 0.2 . 1 . . . . . . . . 4844 1 812 . 1 1 173 173 THR CA C 13 65.44 0.2 . 1 . . . . . . . . 4844 1 813 . 1 1 173 173 THR CB C 13 71.01 0.2 . 1 . . . . . . . . 4844 1 814 . 1 1 173 173 THR N N 15 125.176 0.2 . 1 . . . . . . . . 4844 1 815 . 1 1 174 174 GLU H H 1 8.122 0.04 . 1 . . . . . . . . 4844 1 816 . 1 1 174 174 GLU C C 13 174.15 0.2 . 1 . . . . . . . . 4844 1 817 . 1 1 174 174 GLU CA C 13 54.67 0.2 . 1 . . . . . . . . 4844 1 818 . 1 1 174 174 GLU CB C 13 31.59 0.2 . 1 . . . . . . . . 4844 1 819 . 1 1 174 174 GLU N N 15 129.424 0.2 . 1 . . . . . . . . 4844 1 820 . 1 1 175 175 ILE H H 1 8.185 0.04 . 1 . . . . . . . . 4844 1 821 . 1 1 175 175 ILE C C 13 175.74 0.2 . 1 . . . . . . . . 4844 1 822 . 1 1 175 175 ILE CA C 13 61 0.2 . 1 . . . . . . . . 4844 1 823 . 1 1 175 175 ILE CB C 13 38.38 0.2 . 1 . . . . . . . . 4844 1 824 . 1 1 175 175 ILE N N 15 125.047 0.2 . 1 . . . . . . . . 4844 1 825 . 1 1 176 176 GLN H H 1 8.28 0.04 . 1 . . . . . . . . 4844 1 826 . 1 1 176 176 GLN C C 13 172.41 0.2 . 1 . . . . . . . . 4844 1 827 . 1 1 176 176 GLN CA C 13 52.79 0.2 . 1 . . . . . . . . 4844 1 828 . 1 1 176 176 GLN CB C 13 31.84 0.2 . 1 . . . . . . . . 4844 1 829 . 1 1 176 176 GLN N N 15 126.585 0.2 . 1 . . . . . . . . 4844 1 830 . 1 1 177 177 PRO C C 13 178.08 0.2 . 1 . . . . . . . . 4844 1 831 . 1 1 177 177 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 4844 1 832 . 1 1 177 177 PRO CB C 13 31.53 0.2 . 1 . . . . . . . . 4844 1 833 . 1 1 178 178 ALA H H 1 8.886 0.04 . 1 . . . . . . . . 4844 1 834 . 1 1 178 178 ALA C C 13 179.43 0.2 . 1 . . . . . . . . 4844 1 835 . 1 1 178 178 ALA CA C 13 53.83 0.2 . 1 . . . . . . . . 4844 1 836 . 1 1 178 178 ALA CB C 13 19.85 0.2 . 1 . . . . . . . . 4844 1 837 . 1 1 178 178 ALA N N 15 128.244 0.2 . 1 . . . . . . . . 4844 1 838 . 1 1 179 179 GLY H H 1 7.198 0.04 . 1 . . . . . . . . 4844 1 839 . 1 1 179 179 GLY C C 13 170.03 0.2 . 1 . . . . . . . . 4844 1 840 . 1 1 179 179 GLY CA C 13 43.99 0.2 . 1 . . . . . . . . 4844 1 841 . 1 1 179 179 GLY N N 15 113.025 0.2 . 1 . . . . . . . . 4844 1 842 . 1 1 180 180 PRO C C 13 174.71 0.2 . 1 . . . . . . . . 4844 1 843 . 1 1 180 180 PRO CA C 13 63.23 0.2 . 1 . . . . . . . . 4844 1 844 . 1 1 180 180 PRO CB C 13 31.36 0.2 . 1 . . . . . . . . 4844 1 845 . 1 1 181 181 PHE H H 1 7.819 0.04 . 1 . . . . . . . . 4844 1 846 . 1 1 181 181 PHE C C 13 173.87 0.2 . 1 . . . . . . . . 4844 1 847 . 1 1 181 181 PHE CA C 13 57.25 0.2 . 1 . . . . . . . . 4844 1 848 . 1 1 181 181 PHE CB C 13 39.96 0.2 . 1 . . . . . . . . 4844 1 849 . 1 1 181 181 PHE N N 15 124.076 0.2 . 1 . . . . . . . . 4844 1 850 . 1 1 182 182 TYR H H 1 7.697 0.04 . 1 . . . . . . . . 4844 1 851 . 1 1 182 182 TYR C C 13 173.83 0.2 . 1 . . . . . . . . 4844 1 852 . 1 1 182 182 TYR CA C 13 56.08 0.2 . 1 . . . . . . . . 4844 1 853 . 1 1 182 182 TYR CB C 13 39.14 0.2 . 1 . . . . . . . . 4844 1 854 . 1 1 182 182 TYR N N 15 129.198 0.2 . 1 . . . . . . . . 4844 1 855 . 1 1 183 183 TYR H H 1 9.22 0.04 . 1 . . . . . . . . 4844 1 856 . 1 1 183 183 TYR C C 13 175.26 0.2 . 1 . . . . . . . . 4844 1 857 . 1 1 183 183 TYR CA C 13 60.29 0.2 . 1 . . . . . . . . 4844 1 858 . 1 1 183 183 TYR CB C 13 38.49 0.2 . 1 . . . . . . . . 4844 1 859 . 1 1 183 183 TYR N N 15 125.21 0.2 . 1 . . . . . . . . 4844 1 860 . 1 1 184 184 ALA H H 1 7.685 0.04 . 1 . . . . . . . . 4844 1 861 . 1 1 184 184 ALA C C 13 176.08 0.2 . 1 . . . . . . . . 4844 1 862 . 1 1 184 184 ALA CA C 13 51.01 0.2 . 1 . . . . . . . . 4844 1 863 . 1 1 184 184 ALA CB C 13 19.85 0.2 . 1 . . . . . . . . 4844 1 864 . 1 1 184 184 ALA N N 15 122.787 0.2 . 1 . . . . . . . . 4844 1 865 . 1 1 185 185 GLU H H 1 11.3 0.04 . 1 . . . . . . . . 4844 1 866 . 1 1 185 185 GLU C C 13 177.6 0.2 . 1 . . . . . . . . 4844 1 867 . 1 1 185 185 GLU CA C 13 58.24 0.2 . 1 . . . . . . . . 4844 1 868 . 1 1 185 185 GLU CB C 13 30.95 0.2 . 1 . . . . . . . . 4844 1 869 . 1 1 185 185 GLU N N 15 122.809 0.2 . 1 . . . . . . . . 4844 1 870 . 1 1 186 186 ASP H H 1 8.433 0.04 . 1 . . . . . . . . 4844 1 871 . 1 1 186 186 ASP C C 13 178.07 0.2 . 1 . . . . . . . . 4844 1 872 . 1 1 186 186 ASP CA C 13 59.11 0.2 . 1 . . . . . . . . 4844 1 873 . 1 1 186 186 ASP CB C 13 43.08 0.2 . 1 . . . . . . . . 4844 1 874 . 1 1 186 186 ASP N N 15 123.273 0.2 . 1 . . . . . . . . 4844 1 875 . 1 1 187 187 GLU H H 1 8.836 0.04 . 1 . . . . . . . . 4844 1 876 . 1 1 187 187 GLU C C 13 176.39 0.2 . 1 . . . . . . . . 4844 1 877 . 1 1 187 187 GLU CA C 13 58.65 0.2 . 1 . . . . . . . . 4844 1 878 . 1 1 187 187 GLU CB C 13 28.1 0.2 . 1 . . . . . . . . 4844 1 879 . 1 1 187 187 GLU N N 15 115.701 0.2 . 1 . . . . . . . . 4844 1 880 . 1 1 188 188 HIS H H 1 7.598 0.04 . 1 . . . . . . . . 4844 1 881 . 1 1 188 188 HIS C C 13 176.91 0.2 . 1 . . . . . . . . 4844 1 882 . 1 1 188 188 HIS CA C 13 58.19 0.2 . 1 . . . . . . . . 4844 1 883 . 1 1 188 188 HIS CB C 13 33.07 0.2 . 1 . . . . . . . . 4844 1 884 . 1 1 188 188 HIS N N 15 116.249 0.2 . 1 . . . . . . . . 4844 1 885 . 1 1 189 189 GLN H H 1 7.573 0.04 . 1 . . . . . . . . 4844 1 886 . 1 1 189 189 GLN C C 13 176.39 0.2 . 1 . . . . . . . . 4844 1 887 . 1 1 189 189 GLN CA C 13 55.24 0.2 . 1 . . . . . . . . 4844 1 888 . 1 1 189 189 GLN CB C 13 25.02 0.2 . 1 . . . . . . . . 4844 1 889 . 1 1 189 189 GLN N N 15 123.076 0.2 . 1 . . . . . . . . 4844 1 890 . 1 1 190 190 GLN H H 1 10.635 0.04 . 1 . . . . . . . . 4844 1 891 . 1 1 190 190 GLN C C 13 177.07 0.2 . 1 . . . . . . . . 4844 1 892 . 1 1 190 190 GLN CA C 13 58.19 0.2 . 1 . . . . . . . . 4844 1 893 . 1 1 190 190 GLN CB C 13 25.52 0.2 . 1 . . . . . . . . 4844 1 894 . 1 1 190 190 GLN N N 15 124.621 0.2 . 1 . . . . . . . . 4844 1 895 . 1 1 191 191 TYR H H 1 7.453 0.04 . 1 . . . . . . . . 4844 1 896 . 1 1 191 191 TYR C C 13 178.14 0.2 . 1 . . . . . . . . 4844 1 897 . 1 1 191 191 TYR CA C 13 63.46 0.2 . 1 . . . . . . . . 4844 1 898 . 1 1 191 191 TYR CB C 13 40.03 0.2 . 1 . . . . . . . . 4844 1 899 . 1 1 191 191 TYR N N 15 120.92 0.2 . 1 . . . . . . . . 4844 1 900 . 1 1 192 192 LEU H H 1 10.135 0.04 . 1 . . . . . . . . 4844 1 901 . 1 1 192 192 LEU C C 13 178.31 0.2 . 1 . . . . . . . . 4844 1 902 . 1 1 192 192 LEU CA C 13 56.09 0.2 . 1 . . . . . . . . 4844 1 903 . 1 1 192 192 LEU CB C 13 41.35 0.2 . 1 . . . . . . . . 4844 1 904 . 1 1 192 192 LEU N N 15 117.036 0.2 . 1 . . . . . . . . 4844 1 905 . 1 1 193 193 HIS H H 1 7.71 0.04 . 1 . . . . . . . . 4844 1 906 . 1 1 193 193 HIS C C 13 176.1 0.2 . 1 . . . . . . . . 4844 1 907 . 1 1 193 193 HIS CA C 13 59.24 0.2 . 1 . . . . . . . . 4844 1 908 . 1 1 193 193 HIS CB C 13 31.65 0.2 . 1 . . . . . . . . 4844 1 909 . 1 1 193 193 HIS N N 15 120.275 0.2 . 1 . . . . . . . . 4844 1 910 . 1 1 194 194 LYS H H 1 6.784 0.04 . 1 . . . . . . . . 4844 1 911 . 1 1 194 194 LYS C C 13 176.26 0.2 . 1 . . . . . . . . 4844 1 912 . 1 1 194 194 LYS CA C 13 58.29 0.2 . 1 . . . . . . . . 4844 1 913 . 1 1 194 194 LYS CB C 13 33.53 0.2 . 1 . . . . . . . . 4844 1 914 . 1 1 194 194 LYS N N 15 119.102 0.2 . 1 . . . . . . . . 4844 1 915 . 1 1 195 195 ASN H H 1 7.786 0.04 . 1 . . . . . . . . 4844 1 916 . 1 1 195 195 ASN C C 13 171.7 0.2 . 1 . . . . . . . . 4844 1 917 . 1 1 195 195 ASN CA C 13 50.45 0.2 . 1 . . . . . . . . 4844 1 918 . 1 1 195 195 ASN CB C 13 38.47 0.2 . 1 . . . . . . . . 4844 1 919 . 1 1 195 195 ASN N N 15 116.034 0.2 . 1 . . . . . . . . 4844 1 920 . 1 1 196 196 PRO C C 13 177.44 0.2 . 1 . . . . . . . . 4844 1 921 . 1 1 196 196 PRO CA C 13 64.63 0.2 . 1 . . . . . . . . 4844 1 922 . 1 1 196 196 PRO CB C 13 31.63 0.2 . 1 . . . . . . . . 4844 1 923 . 1 1 197 197 ASP H H 1 7.95 0.04 . 1 . . . . . . . . 4844 1 924 . 1 1 197 197 ASP C C 13 176.67 0.2 . 1 . . . . . . . . 4844 1 925 . 1 1 197 197 ASP CA C 13 53.84 0.2 . 1 . . . . . . . . 4844 1 926 . 1 1 197 197 ASP CB C 13 40.54 0.2 . 1 . . . . . . . . 4844 1 927 . 1 1 197 197 ASP N N 15 118.688 0.2 . 1 . . . . . . . . 4844 1 928 . 1 1 198 198 GLY H H 1 7.847 0.04 . 1 . . . . . . . . 4844 1 929 . 1 1 198 198 GLY C C 13 172.24 0.2 . 1 . . . . . . . . 4844 1 930 . 1 1 198 198 GLY CA C 13 45.28 0.2 . 1 . . . . . . . . 4844 1 931 . 1 1 198 198 GLY N N 15 109.055 0.2 . 1 . . . . . . . . 4844 1 932 . 1 1 199 199 TYR H H 1 8.153 0.04 . 1 . . . . . . . . 4844 1 933 . 1 1 199 199 TYR C C 13 174.33 0.2 . 1 . . . . . . . . 4844 1 934 . 1 1 199 199 TYR CA C 13 58.88 0.2 . 1 . . . . . . . . 4844 1 935 . 1 1 199 199 TYR CB C 13 39.2 0.2 . 1 . . . . . . . . 4844 1 936 . 1 1 199 199 TYR N N 15 122.147 0.2 . 1 . . . . . . . . 4844 1 937 . 1 1 200 200 CYS H H 1 8.065 0.04 . 1 . . . . . . . . 4844 1 938 . 1 1 200 200 CYS C C 13 173.58 0.2 . 1 . . . . . . . . 4844 1 939 . 1 1 200 200 CYS CA C 13 57.83 0.2 . 1 . . . . . . . . 4844 1 940 . 1 1 200 200 CYS CB C 13 28.3 0.2 . 1 . . . . . . . . 4844 1 941 . 1 1 200 200 CYS N N 15 127.902 0.2 . 1 . . . . . . . . 4844 1 942 . 1 1 201 201 GLY H H 1 7.757 0.04 . 1 . . . . . . . . 4844 1 943 . 1 1 201 201 GLY C C 13 173.74 0.2 . 1 . . . . . . . . 4844 1 944 . 1 1 201 201 GLY CA C 13 45.77 0.2 . 1 . . . . . . . . 4844 1 945 . 1 1 201 201 GLY N N 15 116.282 0.2 . 1 . . . . . . . . 4844 1 946 . 1 1 202 202 LEU H H 1 7.14 0.04 . 1 . . . . . . . . 4844 1 947 . 1 1 202 202 LEU C C 13 177.08 0.2 . 1 . . . . . . . . 4844 1 948 . 1 1 202 202 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 4844 1 949 . 1 1 202 202 LEU CB C 13 42.99 0.2 . 1 . . . . . . . . 4844 1 950 . 1 1 202 202 LEU N N 15 122.634 0.2 . 1 . . . . . . . . 4844 1 951 . 1 1 203 203 GLY H H 1 7.669 0.04 . 1 . . . . . . . . 4844 1 952 . 1 1 203 203 GLY C C 13 173.29 0.2 . 1 . . . . . . . . 4844 1 953 . 1 1 203 203 GLY CA C 13 46.22 0.2 . 1 . . . . . . . . 4844 1 954 . 1 1 203 203 GLY N N 15 113.045 0.2 . 1 . . . . . . . . 4844 1 955 . 1 1 204 204 GLY H H 1 8.195 0.04 . 1 . . . . . . . . 4844 1 956 . 1 1 204 204 GLY C C 13 174.88 0.2 . 1 . . . . . . . . 4844 1 957 . 1 1 204 204 GLY CA C 13 44.11 0.2 . 1 . . . . . . . . 4844 1 958 . 1 1 204 204 GLY N N 15 111.358 0.2 . 1 . . . . . . . . 4844 1 959 . 1 1 205 205 ILE H H 1 8.094 0.04 . 1 . . . . . . . . 4844 1 960 . 1 1 205 205 ILE C C 13 176.69 0.2 . 1 . . . . . . . . 4844 1 961 . 1 1 205 205 ILE CA C 13 61.14 0.2 . 1 . . . . . . . . 4844 1 962 . 1 1 205 205 ILE CB C 13 37.98 0.2 . 1 . . . . . . . . 4844 1 963 . 1 1 205 205 ILE N N 15 112.528 0.2 . 1 . . . . . . . . 4844 1 964 . 1 1 206 206 GLY H H 1 8.378 0.04 . 1 . . . . . . . . 4844 1 965 . 1 1 206 206 GLY C C 13 173.58 0.2 . 1 . . . . . . . . 4844 1 966 . 1 1 206 206 GLY CA C 13 46.22 0.2 . 1 . . . . . . . . 4844 1 967 . 1 1 206 206 GLY N N 15 113.464 0.2 . 1 . . . . . . . . 4844 1 968 . 1 1 207 207 VAL H H 1 7.005 0.04 . 1 . . . . . . . . 4844 1 969 . 1 1 207 207 VAL C C 13 174.87 0.2 . 1 . . . . . . . . 4844 1 970 . 1 1 207 207 VAL CA C 13 61.45 0.2 . 1 . . . . . . . . 4844 1 971 . 1 1 207 207 VAL CB C 13 33.74 0.2 . 1 . . . . . . . . 4844 1 972 . 1 1 207 207 VAL N N 15 121.223 0.2 . 1 . . . . . . . . 4844 1 973 . 1 1 208 208 CYS H H 1 8.301 0.04 . 1 . . . . . . . . 4844 1 974 . 1 1 208 208 CYS C C 13 174.36 0.2 . 1 . . . . . . . . 4844 1 975 . 1 1 208 208 CYS CA C 13 57.95 0.2 . 1 . . . . . . . . 4844 1 976 . 1 1 208 208 CYS CB C 13 29.73 0.2 . 1 . . . . . . . . 4844 1 977 . 1 1 208 208 CYS N N 15 126.02 0.2 . 1 . . . . . . . . 4844 1 978 . 1 1 209 209 LEU H H 1 9.855 0.04 . 1 . . . . . . . . 4844 1 979 . 1 1 209 209 LEU CA C 13 52.68 0.2 . 1 . . . . . . . . 4844 1 980 . 1 1 209 209 LEU CB C 13 42.21 0.2 . 1 . . . . . . . . 4844 1 981 . 1 1 209 209 LEU N N 15 128.008 0.2 . 1 . . . . . . . . 4844 1 982 . 1 1 211 211 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 4844 1 983 . 1 1 211 211 PRO CA C 13 62.88 0.2 . 1 . . . . . . . . 4844 1 984 . 1 1 211 211 PRO CB C 13 31.95 0.2 . 1 . . . . . . . . 4844 1 985 . 1 1 212 212 GLN H H 1 8.317 0.04 . 1 . . . . . . . . 4844 1 986 . 1 1 212 212 GLN C C 13 176.42 0.2 . 1 . . . . . . . . 4844 1 987 . 1 1 212 212 GLN CA C 13 56.43 0.2 . 1 . . . . . . . . 4844 1 988 . 1 1 212 212 GLN CB C 13 29.65 0.2 . 1 . . . . . . . . 4844 1 989 . 1 1 212 212 GLN N N 15 121.776 0.2 . 1 . . . . . . . . 4844 1 990 . 1 1 213 213 GLY H H 1 8.364 0.04 . 1 . . . . . . . . 4844 1 991 . 1 1 213 213 GLY C C 13 174.03 0.2 . 1 . . . . . . . . 4844 1 992 . 1 1 213 213 GLY CA C 13 45.52 0.2 . 1 . . . . . . . . 4844 1 993 . 1 1 213 213 GLY N N 15 112.12 0.2 . 1 . . . . . . . . 4844 1 994 . 1 1 214 214 LEU H H 1 7.88 0.04 . 1 . . . . . . . . 4844 1 995 . 1 1 214 214 LEU C C 13 177.29 0.2 . 1 . . . . . . . . 4844 1 996 . 1 1 214 214 LEU CA C 13 55.37 0.2 . 1 . . . . . . . . 4844 1 997 . 1 1 214 214 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 4844 1 998 . 1 1 214 214 LEU N N 15 122.957 0.2 . 1 . . . . . . . . 4844 1 999 . 1 1 215 215 GLU H H 1 8.274 0.04 . 1 . . . . . . . . 4844 1 1000 . 1 1 215 215 GLU C C 13 176.13 0.2 . 1 . . . . . . . . 4844 1 1001 . 1 1 215 215 GLU CA C 13 56.77 0.2 . 1 . . . . . . . . 4844 1 1002 . 1 1 215 215 GLU CB C 13 29.77 0.2 . 1 . . . . . . . . 4844 1 1003 . 1 1 215 215 GLU N N 15 122.646 0.2 . 1 . . . . . . . . 4844 1 1004 . 1 1 216 216 HIS H H 1 8.21 0.04 . 1 . . . . . . . . 4844 1 1005 . 1 1 216 216 HIS C C 13 174.42 0.2 . 1 . . . . . . . . 4844 1 1006 . 1 1 216 216 HIS CA C 13 56.77 0.2 . 1 . . . . . . . . 4844 1 1007 . 1 1 216 216 HIS CB C 13 29.63 0.2 . 1 . . . . . . . . 4844 1 1008 . 1 1 216 216 HIS N N 15 121.126 0.2 . 1 . . . . . . . . 4844 1 stop_ save_