data_11493 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11493 _Entry.Title ; NMR chemical shift of Streptomyces sp. N174 chitosanase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-09 _Entry.Accession_date 2012-04-11 _Entry.Last_release_date 2012-05-02 _Entry.Original_release_date 2012-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Shoko Shinya . . . 11493 2 Ryszard Brzezinski . . . 11493 3 Tamo Fukamizo . . . 11493 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11493 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 11493 '15N chemical shifts' 162 11493 '1H chemical shifts' 162 11493 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 . . 2012-05-02 2012-04-09 original author . 11493 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 11493 _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 'Chitosan oligosaccharide binding to GH-46 chitosanase from Streptomyces sp. N174 as determined by NMR spectroscopy' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Shoko Shinya . . . 11493 1 2 Ryszard Brzezinski . . . 11493 1 3 Tamo Fukamizo . . . 11493 1 stop_ save_ save_Citation_2 _Citation.Sf_category citations _Citation.Sf_framecode Citation_2 _Citation.Entry_ID 11493 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9599657 _Citation.Full_citation . _Citation.Title 'Chitosanase from Streptomyces sp. strain N174: a comparative review of its structure and function' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Cell. Biol.' _Citation.Journal_name_full 'Biochemistry and Cell Biology' _Citation.Journal_volume 75 _Citation.Journal_issue 'Number 6' _Citation.Journal_ASTM . _Citation.Journal_ISSN 0829-8211 _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 687 _Citation.Page_last 696 _Citation.Year 1997 _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 Tamo Fukamizo . . . 11493 2 2 Ryszard Brzezinski . . . 11493 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11493 _Assembly.ID 1 _Assembly.Name 'Streptomyce sp. N174 chitosanase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25849 _Assembly.Enzyme_commission_number 3.2.1.132 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CsnN174 1 $CsnN174 A . yes native no no . . . 11493 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CsnN174 _Entity.Sf_category entity _Entity.Sf_framecode CsnN174 _Entity.Entry_ID 11493 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CsnN174 _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 ; AGAGLDDPHKKEIAMELVSS AENSSLDWKAQYKYIEDIGD GRGYTGGIIGFCSGTGDMLE LVQHYTDLEPGNILAKYLPA LKKVNGSASHSGLGTPFTKD WATAAKDTVFQQAQNDERDR VYFDPAVSQAKADGLRALGQ FAYYDAIVMHGPGNDPTSFG GIRKTAMKKARTPAQGGDET TYLNGFLDARKAAMLTEAAH DDTSRVDTEQRVFLKAGNLD LNPPLKWKTYGDPYVINS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 238 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-26 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 BMRB 11494 . CsnN174_E22A . . . . . 100.00 238 99.58 99.58 3.16e-173 . . . . 11493 1 2 no PDB 1CHK . "Streptomyces N174 Chitosanase Ph5.5 298k" . . . . . 100.00 238 100.00 100.00 3.70e-174 . . . . 11493 1 3 no GB AAA19865 . "chitosanase precursor [Streptomyces sp.]" . . . . . 100.00 278 99.58 99.58 2.79e-174 . . . . 11493 1 4 no SP P33665 . "RecName: Full=Chitosanase; Flags: Precursor" . . . . . 100.00 278 99.58 99.58 2.79e-174 . . . . 11493 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 1 ALA . 11493 1 2 2 GLY . 11493 1 3 3 ALA . 11493 1 4 4 GLY . 11493 1 5 5 LEU . 11493 1 6 6 ASP . 11493 1 7 7 ASP . 11493 1 8 8 PRO . 11493 1 9 9 HIS . 11493 1 10 10 LYS . 11493 1 11 11 LYS . 11493 1 12 12 GLU . 11493 1 13 13 ILE . 11493 1 14 14 ALA . 11493 1 15 15 MET . 11493 1 16 16 GLU . 11493 1 17 17 LEU . 11493 1 18 18 VAL . 11493 1 19 19 SER . 11493 1 20 20 SER . 11493 1 21 21 ALA . 11493 1 22 22 GLU . 11493 1 23 23 ASN . 11493 1 24 24 SER . 11493 1 25 25 SER . 11493 1 26 26 LEU . 11493 1 27 27 ASP . 11493 1 28 28 TRP . 11493 1 29 29 LYS . 11493 1 30 30 ALA . 11493 1 31 31 GLN . 11493 1 32 32 TYR . 11493 1 33 33 LYS . 11493 1 34 34 TYR . 11493 1 35 35 ILE . 11493 1 36 36 GLU . 11493 1 37 37 ASP . 11493 1 38 38 ILE . 11493 1 39 39 GLY . 11493 1 40 40 ASP . 11493 1 41 41 GLY . 11493 1 42 42 ARG . 11493 1 43 43 GLY . 11493 1 44 44 TYR . 11493 1 45 45 THR . 11493 1 46 46 GLY . 11493 1 47 47 GLY . 11493 1 48 48 ILE . 11493 1 49 49 ILE . 11493 1 50 50 GLY . 11493 1 51 51 PHE . 11493 1 52 52 CYS . 11493 1 53 53 SER . 11493 1 54 54 GLY . 11493 1 55 55 THR . 11493 1 56 56 GLY . 11493 1 57 57 ASP . 11493 1 58 58 MET . 11493 1 59 59 LEU . 11493 1 60 60 GLU . 11493 1 61 61 LEU . 11493 1 62 62 VAL . 11493 1 63 63 GLN . 11493 1 64 64 HIS . 11493 1 65 65 TYR . 11493 1 66 66 THR . 11493 1 67 67 ASP . 11493 1 68 68 LEU . 11493 1 69 69 GLU . 11493 1 70 70 PRO . 11493 1 71 71 GLY . 11493 1 72 72 ASN . 11493 1 73 73 ILE . 11493 1 74 74 LEU . 11493 1 75 75 ALA . 11493 1 76 76 LYS . 11493 1 77 77 TYR . 11493 1 78 78 LEU . 11493 1 79 79 PRO . 11493 1 80 80 ALA . 11493 1 81 81 LEU . 11493 1 82 82 LYS . 11493 1 83 83 LYS . 11493 1 84 84 VAL . 11493 1 85 85 ASN . 11493 1 86 86 GLY . 11493 1 87 87 SER . 11493 1 88 88 ALA . 11493 1 89 89 SER . 11493 1 90 90 HIS . 11493 1 91 91 SER . 11493 1 92 92 GLY . 11493 1 93 93 LEU . 11493 1 94 94 GLY . 11493 1 95 95 THR . 11493 1 96 96 PRO . 11493 1 97 97 PHE . 11493 1 98 98 THR . 11493 1 99 99 LYS . 11493 1 100 100 ASP . 11493 1 101 101 TRP . 11493 1 102 102 ALA . 11493 1 103 103 THR . 11493 1 104 104 ALA . 11493 1 105 105 ALA . 11493 1 106 106 LYS . 11493 1 107 107 ASP . 11493 1 108 108 THR . 11493 1 109 109 VAL . 11493 1 110 110 PHE . 11493 1 111 111 GLN . 11493 1 112 112 GLN . 11493 1 113 113 ALA . 11493 1 114 114 GLN . 11493 1 115 115 ASN . 11493 1 116 116 ASP . 11493 1 117 117 GLU . 11493 1 118 118 ARG . 11493 1 119 119 ASP . 11493 1 120 120 ARG . 11493 1 121 121 VAL . 11493 1 122 122 TYR . 11493 1 123 123 PHE . 11493 1 124 124 ASP . 11493 1 125 125 PRO . 11493 1 126 126 ALA . 11493 1 127 127 VAL . 11493 1 128 128 SER . 11493 1 129 129 GLN . 11493 1 130 130 ALA . 11493 1 131 131 LYS . 11493 1 132 132 ALA . 11493 1 133 133 ASP . 11493 1 134 134 GLY . 11493 1 135 135 LEU . 11493 1 136 136 ARG . 11493 1 137 137 ALA . 11493 1 138 138 LEU . 11493 1 139 139 GLY . 11493 1 140 140 GLN . 11493 1 141 141 PHE . 11493 1 142 142 ALA . 11493 1 143 143 TYR . 11493 1 144 144 TYR . 11493 1 145 145 ASP . 11493 1 146 146 ALA . 11493 1 147 147 ILE . 11493 1 148 148 VAL . 11493 1 149 149 MET . 11493 1 150 150 HIS . 11493 1 151 151 GLY . 11493 1 152 152 PRO . 11493 1 153 153 GLY . 11493 1 154 154 ASN . 11493 1 155 155 ASP . 11493 1 156 156 PRO . 11493 1 157 157 THR . 11493 1 158 158 SER . 11493 1 159 159 PHE . 11493 1 160 160 GLY . 11493 1 161 161 GLY . 11493 1 162 162 ILE . 11493 1 163 163 ARG . 11493 1 164 164 LYS . 11493 1 165 165 THR . 11493 1 166 166 ALA . 11493 1 167 167 MET . 11493 1 168 168 LYS . 11493 1 169 169 LYS . 11493 1 170 170 ALA . 11493 1 171 171 ARG . 11493 1 172 172 THR . 11493 1 173 173 PRO . 11493 1 174 174 ALA . 11493 1 175 175 GLN . 11493 1 176 176 GLY . 11493 1 177 177 GLY . 11493 1 178 178 ASP . 11493 1 179 179 GLU . 11493 1 180 180 THR . 11493 1 181 181 THR . 11493 1 182 182 TYR . 11493 1 183 183 LEU . 11493 1 184 184 ASN . 11493 1 185 185 GLY . 11493 1 186 186 PHE . 11493 1 187 187 LEU . 11493 1 188 188 ASP . 11493 1 189 189 ALA . 11493 1 190 190 ARG . 11493 1 191 191 LYS . 11493 1 192 192 ALA . 11493 1 193 193 ALA . 11493 1 194 194 MET . 11493 1 195 195 LEU . 11493 1 196 196 THR . 11493 1 197 197 GLU . 11493 1 198 198 ALA . 11493 1 199 199 ALA . 11493 1 200 200 HIS . 11493 1 201 201 ASP . 11493 1 202 202 ASP . 11493 1 203 203 THR . 11493 1 204 204 SER . 11493 1 205 205 ARG . 11493 1 206 206 VAL . 11493 1 207 207 ASP . 11493 1 208 208 THR . 11493 1 209 209 GLU . 11493 1 210 210 GLN . 11493 1 211 211 ARG . 11493 1 212 212 VAL . 11493 1 213 213 PHE . 11493 1 214 214 LEU . 11493 1 215 215 LYS . 11493 1 216 216 ALA . 11493 1 217 217 GLY . 11493 1 218 218 ASN . 11493 1 219 219 LEU . 11493 1 220 220 ASP . 11493 1 221 221 LEU . 11493 1 222 222 ASN . 11493 1 223 223 PRO . 11493 1 224 224 PRO . 11493 1 225 225 LEU . 11493 1 226 226 LYS . 11493 1 227 227 TRP . 11493 1 228 228 LYS . 11493 1 229 229 THR . 11493 1 230 230 TYR . 11493 1 231 231 GLY . 11493 1 232 232 ASP . 11493 1 233 233 PRO . 11493 1 234 234 TYR . 11493 1 235 235 VAL . 11493 1 236 236 ILE . 11493 1 237 237 ASN . 11493 1 238 238 SER . 11493 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 11493 1 . GLY 2 2 11493 1 . ALA 3 3 11493 1 . GLY 4 4 11493 1 . LEU 5 5 11493 1 . ASP 6 6 11493 1 . ASP 7 7 11493 1 . PRO 8 8 11493 1 . HIS 9 9 11493 1 . LYS 10 10 11493 1 . LYS 11 11 11493 1 . GLU 12 12 11493 1 . ILE 13 13 11493 1 . ALA 14 14 11493 1 . MET 15 15 11493 1 . GLU 16 16 11493 1 . LEU 17 17 11493 1 . VAL 18 18 11493 1 . SER 19 19 11493 1 . SER 20 20 11493 1 . ALA 21 21 11493 1 . GLU 22 22 11493 1 . ASN 23 23 11493 1 . SER 24 24 11493 1 . SER 25 25 11493 1 . LEU 26 26 11493 1 . ASP 27 27 11493 1 . TRP 28 28 11493 1 . LYS 29 29 11493 1 . ALA 30 30 11493 1 . GLN 31 31 11493 1 . TYR 32 32 11493 1 . LYS 33 33 11493 1 . TYR 34 34 11493 1 . ILE 35 35 11493 1 . GLU 36 36 11493 1 . ASP 37 37 11493 1 . ILE 38 38 11493 1 . GLY 39 39 11493 1 . ASP 40 40 11493 1 . GLY 41 41 11493 1 . ARG 42 42 11493 1 . GLY 43 43 11493 1 . TYR 44 44 11493 1 . THR 45 45 11493 1 . GLY 46 46 11493 1 . GLY 47 47 11493 1 . ILE 48 48 11493 1 . ILE 49 49 11493 1 . GLY 50 50 11493 1 . PHE 51 51 11493 1 . CYS 52 52 11493 1 . SER 53 53 11493 1 . GLY 54 54 11493 1 . THR 55 55 11493 1 . GLY 56 56 11493 1 . ASP 57 57 11493 1 . MET 58 58 11493 1 . LEU 59 59 11493 1 . GLU 60 60 11493 1 . LEU 61 61 11493 1 . VAL 62 62 11493 1 . GLN 63 63 11493 1 . HIS 64 64 11493 1 . TYR 65 65 11493 1 . THR 66 66 11493 1 . ASP 67 67 11493 1 . LEU 68 68 11493 1 . GLU 69 69 11493 1 . PRO 70 70 11493 1 . GLY 71 71 11493 1 . ASN 72 72 11493 1 . ILE 73 73 11493 1 . LEU 74 74 11493 1 . ALA 75 75 11493 1 . LYS 76 76 11493 1 . TYR 77 77 11493 1 . LEU 78 78 11493 1 . PRO 79 79 11493 1 . ALA 80 80 11493 1 . LEU 81 81 11493 1 . LYS 82 82 11493 1 . LYS 83 83 11493 1 . VAL 84 84 11493 1 . ASN 85 85 11493 1 . GLY 86 86 11493 1 . SER 87 87 11493 1 . ALA 88 88 11493 1 . SER 89 89 11493 1 . HIS 90 90 11493 1 . SER 91 91 11493 1 . GLY 92 92 11493 1 . LEU 93 93 11493 1 . GLY 94 94 11493 1 . THR 95 95 11493 1 . PRO 96 96 11493 1 . PHE 97 97 11493 1 . THR 98 98 11493 1 . LYS 99 99 11493 1 . ASP 100 100 11493 1 . TRP 101 101 11493 1 . ALA 102 102 11493 1 . THR 103 103 11493 1 . ALA 104 104 11493 1 . ALA 105 105 11493 1 . LYS 106 106 11493 1 . ASP 107 107 11493 1 . THR 108 108 11493 1 . VAL 109 109 11493 1 . PHE 110 110 11493 1 . GLN 111 111 11493 1 . GLN 112 112 11493 1 . ALA 113 113 11493 1 . GLN 114 114 11493 1 . ASN 115 115 11493 1 . ASP 116 116 11493 1 . GLU 117 117 11493 1 . ARG 118 118 11493 1 . ASP 119 119 11493 1 . ARG 120 120 11493 1 . VAL 121 121 11493 1 . TYR 122 122 11493 1 . PHE 123 123 11493 1 . ASP 124 124 11493 1 . PRO 125 125 11493 1 . ALA 126 126 11493 1 . VAL 127 127 11493 1 . SER 128 128 11493 1 . GLN 129 129 11493 1 . ALA 130 130 11493 1 . LYS 131 131 11493 1 . ALA 132 132 11493 1 . ASP 133 133 11493 1 . GLY 134 134 11493 1 . LEU 135 135 11493 1 . ARG 136 136 11493 1 . ALA 137 137 11493 1 . LEU 138 138 11493 1 . GLY 139 139 11493 1 . GLN 140 140 11493 1 . PHE 141 141 11493 1 . ALA 142 142 11493 1 . TYR 143 143 11493 1 . TYR 144 144 11493 1 . ASP 145 145 11493 1 . ALA 146 146 11493 1 . ILE 147 147 11493 1 . VAL 148 148 11493 1 . MET 149 149 11493 1 . HIS 150 150 11493 1 . GLY 151 151 11493 1 . PRO 152 152 11493 1 . GLY 153 153 11493 1 . ASN 154 154 11493 1 . ASP 155 155 11493 1 . PRO 156 156 11493 1 . THR 157 157 11493 1 . SER 158 158 11493 1 . PHE 159 159 11493 1 . GLY 160 160 11493 1 . GLY 161 161 11493 1 . ILE 162 162 11493 1 . ARG 163 163 11493 1 . LYS 164 164 11493 1 . THR 165 165 11493 1 . ALA 166 166 11493 1 . MET 167 167 11493 1 . LYS 168 168 11493 1 . LYS 169 169 11493 1 . ALA 170 170 11493 1 . ARG 171 171 11493 1 . THR 172 172 11493 1 . PRO 173 173 11493 1 . ALA 174 174 11493 1 . GLN 175 175 11493 1 . GLY 176 176 11493 1 . GLY 177 177 11493 1 . ASP 178 178 11493 1 . GLU 179 179 11493 1 . THR 180 180 11493 1 . THR 181 181 11493 1 . TYR 182 182 11493 1 . LEU 183 183 11493 1 . ASN 184 184 11493 1 . GLY 185 185 11493 1 . PHE 186 186 11493 1 . LEU 187 187 11493 1 . ASP 188 188 11493 1 . ALA 189 189 11493 1 . ARG 190 190 11493 1 . LYS 191 191 11493 1 . ALA 192 192 11493 1 . ALA 193 193 11493 1 . MET 194 194 11493 1 . LEU 195 195 11493 1 . THR 196 196 11493 1 . GLU 197 197 11493 1 . ALA 198 198 11493 1 . ALA 199 199 11493 1 . HIS 200 200 11493 1 . ASP 201 201 11493 1 . ASP 202 202 11493 1 . THR 203 203 11493 1 . SER 204 204 11493 1 . ARG 205 205 11493 1 . VAL 206 206 11493 1 . ASP 207 207 11493 1 . THR 208 208 11493 1 . GLU 209 209 11493 1 . GLN 210 210 11493 1 . ARG 211 211 11493 1 . VAL 212 212 11493 1 . PHE 213 213 11493 1 . LEU 214 214 11493 1 . LYS 215 215 11493 1 . ALA 216 216 11493 1 . GLY 217 217 11493 1 . ASN 218 218 11493 1 . LEU 219 219 11493 1 . ASP 220 220 11493 1 . LEU 221 221 11493 1 . ASN 222 222 11493 1 . PRO 223 223 11493 1 . PRO 224 224 11493 1 . LEU 225 225 11493 1 . LYS 226 226 11493 1 . TRP 227 227 11493 1 . LYS 228 228 11493 1 . THR 229 229 11493 1 . TYR 230 230 11493 1 . GLY 231 231 11493 1 . ASP 232 232 11493 1 . PRO 233 233 11493 1 . TYR 234 234 11493 1 . VAL 235 235 11493 1 . ILE 236 236 11493 1 . ASN 237 237 11493 1 . SER 238 238 11493 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 11493 _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 $CsnN174 . 1931 organism . 'Streptomyces sp.' 'Streptomyces sp.' . . Bacteria . Streptomyces sp. N174 . . . . . . . . . . . . . . . . . . . . 11493 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 11493 _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 $CsnN174 . 'recombinant technology' 'Streptomyces lividans' 'Streptomyces lividans' . 1916 Streptomyces lividans TK24 . . . . . . . . . . . . . . . pFD666 . . . . . . 11493 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11493 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N174Csn '[U-13C; U-15N]' . . 1 $CsnN174 . protein 0.1 . . mM . . . . 11493 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 11493 1 3 D2O '[U-99% 2H]' . . . . . solvent 5 . . % . . . . 11493 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 11493 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11493 _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 5.5 . pH 11493 1 pressure 1 . atm 11493 1 temperature 300 . K 11493 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11493 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11493 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11493 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11493 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11493 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 11493 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 11493 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11493 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11493 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11493 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11493 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11493 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11493 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11493 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11493 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11493 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11493 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11493 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11493 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11493 1 2 '3D HNCO' . . . 11493 1 3 '3D HNCACO' . . . 11493 1 4 '3D HNCA' . . . 11493 1 5 '3D HN(CO)CA' . . . 11493 1 6 '3D HNCACB' . . . 11493 1 7 '3D CBCA(CO)NH' . . . 11493 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 GLY H H 1 8.596 0.002 . 1 . . . . 2 GLY HN . 11493 1 2 . 1 1 2 2 GLY C C 13 173.264 0.002 . 1 . . . . 2 GLY CO . 11493 1 3 . 1 1 2 2 GLY CA C 13 44.631 0.008 . 1 . . . . 2 GLY CA . 11493 1 4 . 1 1 2 2 GLY N N 15 108.319 0.011 . 1 . . . . 2 GLY N . 11493 1 5 . 1 1 3 3 ALA H H 1 8.502 0.001 . 1 . . . . 3 ALA HN . 11493 1 6 . 1 1 3 3 ALA C C 13 178.786 0 . 1 . . . . 3 ALA CO . 11493 1 7 . 1 1 3 3 ALA CA C 13 52.306 0.086 . 1 . . . . 3 ALA CA . 11493 1 8 . 1 1 3 3 ALA CB C 13 19.468 0.042 . 1 . . . . 3 ALA CB . 11493 1 9 . 1 1 3 3 ALA N N 15 123.182 0.022 . 1 . . . . 3 ALA N . 11493 1 10 . 1 1 4 4 GLY H H 1 8.694 0.003 . 1 . . . . 4 GLY HN . 11493 1 11 . 1 1 4 4 GLY C C 13 174.181 0.006 . 1 . . . . 4 GLY CO . 11493 1 12 . 1 1 4 4 GLY CA C 13 44.787 0 . 1 . . . . 4 GLY CA . 11493 1 13 . 1 1 4 4 GLY N N 15 109.133 0.039 . 1 . . . . 4 GLY N . 11493 1 14 . 1 1 5 5 LEU H H 1 9.157 0.005 . 1 . . . . 5 LEU HN . 11493 1 15 . 1 1 5 5 LEU C C 13 173.959 0.006 . 1 . . . . 5 LEU CO . 11493 1 16 . 1 1 5 5 LEU CA C 13 55.597 0 . 1 . . . . 5 LEU CA . 11493 1 17 . 1 1 5 5 LEU N N 15 122.942 0.01 . 1 . . . . 5 LEU N . 11493 1 18 . 1 1 6 6 ASP H H 1 8.245 0.006 . 1 . . . . 6 ASP HN . 11493 1 19 . 1 1 6 6 ASP C C 13 177.709 0.032 . 1 . . . . 6 ASP CO . 11493 1 20 . 1 1 6 6 ASP CA C 13 53.985 0 . 1 . . . . 6 ASP CA . 11493 1 21 . 1 1 6 6 ASP CB C 13 40.046 0 . 1 . . . . 6 ASP CB . 11493 1 22 . 1 1 6 6 ASP N N 15 107.271 0.037 . 1 . . . . 6 ASP N . 11493 1 23 . 1 1 7 7 ASP H H 1 7.539 0.002 . 1 . . . . 7 ASP HN . 11493 1 24 . 1 1 7 7 ASP C C 13 174.867 0 . 1 . . . . 7 ASP CO . 11493 1 25 . 1 1 7 7 ASP CA C 13 52.372 0 . 1 . . . . 7 ASP CA . 11493 1 26 . 1 1 7 7 ASP CB C 13 43.066 0 . 1 . . . . 7 ASP CB . 11493 1 27 . 1 1 7 7 ASP N N 15 124.599 0.011 . 1 . . . . 7 ASP N . 11493 1 28 . 1 1 8 8 PRO C C 13 179.058 0 . 1 . . . . 8 PRO CO . 11493 1 29 . 1 1 8 8 PRO CA C 13 65.844 0 . 1 . . . . 8 PRO CA . 11493 1 30 . 1 1 8 8 PRO CB C 13 32.294 0 . 1 . . . . 8 PRO CB . 11493 1 31 . 1 1 9 9 HIS H H 1 8.27 0.004 . 1 . . . . 9 HIS HN . 11493 1 32 . 1 1 9 9 HIS C C 13 177.224 0.019 . 1 . . . . 9 HIS CO . 11493 1 33 . 1 1 9 9 HIS CA C 13 58.274 0 . 1 . . . . 9 HIS CA . 11493 1 34 . 1 1 9 9 HIS CB C 13 28.305 0 . 1 . . . . 9 HIS CB . 11493 1 35 . 1 1 9 9 HIS N N 15 116.656 0.024 . 1 . . . . 9 HIS N . 11493 1 36 . 1 1 10 10 LYS H H 1 8.019 0.003 . 1 . . . . 10 LYS HN . 11493 1 37 . 1 1 10 10 LYS C C 13 177.383 0.015 . 1 . . . . 10 LYS CO . 11493 1 38 . 1 1 10 10 LYS CA C 13 59.311 0 . 1 . . . . 10 LYS CA . 11493 1 39 . 1 1 10 10 LYS CB C 13 31.466 0 . 1 . . . . 10 LYS CB . 11493 1 40 . 1 1 10 10 LYS N N 15 120.54 0.051 . 1 . . . . 10 LYS N . 11493 1 41 . 1 1 11 11 LYS H H 1 9.125 0.006 . 1 . . . . 11 LYS HN . 11493 1 42 . 1 1 11 11 LYS C C 13 178.089 0.001 . 1 . . . . 11 LYS CO . 11493 1 43 . 1 1 11 11 LYS CA C 13 60.558 0 . 1 . . . . 11 LYS CA . 11493 1 44 . 1 1 11 11 LYS CB C 13 31.465 0 . 1 . . . . 11 LYS CB . 11493 1 45 . 1 1 11 11 LYS N N 15 122.521 0.03 . 1 . . . . 11 LYS N . 11493 1 46 . 1 1 12 12 GLU H H 1 7.147 0.002 . 1 . . . . 12 GLU HN . 11493 1 47 . 1 1 12 12 GLU C C 13 178.31 0.037 . 1 . . . . 12 GLU CO . 11493 1 48 . 1 1 12 12 GLU CA C 13 58.243 0 . 1 . . . . 12 GLU CA . 11493 1 49 . 1 1 12 12 GLU N N 15 118.138 0.047 . 1 . . . . 12 GLU N . 11493 1 50 . 1 1 13 13 ILE H H 1 7.393 0.002 . 1 . . . . 13 ILE HN . 11493 1 51 . 1 1 13 13 ILE C C 13 177.087 0.005 . 1 . . . . 13 ILE CO . 11493 1 52 . 1 1 13 13 ILE CB C 13 37.121 0 . 1 . . . . 13 ILE CB . 11493 1 53 . 1 1 13 13 ILE N N 15 120.075 0.06 . 1 . . . . 13 ILE N . 11493 1 54 . 1 1 14 14 ALA H H 1 8.42 0.005 . 1 . . . . 14 ALA HN . 11493 1 55 . 1 1 14 14 ALA C C 13 178.953 0 . 1 . . . . 14 ALA CO . 11493 1 56 . 1 1 14 14 ALA CA C 13 54.926 0 . 1 . . . . 14 ALA CA . 11493 1 57 . 1 1 14 14 ALA CB C 13 18.003 0 . 1 . . . . 14 ALA CB . 11493 1 58 . 1 1 14 14 ALA N N 15 120.953 0.095 . 1 . . . . 14 ALA N . 11493 1 59 . 1 1 15 15 MET H H 1 7.963 0.002 . 1 . . . . 15 MET HN . 11493 1 60 . 1 1 15 15 MET C C 13 181.032 0.021 . 1 . . . . 15 MET CO . 11493 1 61 . 1 1 15 15 MET CA C 13 56.317 0 . 1 . . . . 15 MET CA . 11493 1 62 . 1 1 15 15 MET CB C 13 28.697 0 . 1 . . . . 15 MET CB . 11493 1 63 . 1 1 15 15 MET N N 15 115.024 0.057 . 1 . . . . 15 MET N . 11493 1 64 . 1 1 16 16 GLU H H 1 8.145 0.005 . 1 . . . . 16 GLU HN . 11493 1 65 . 1 1 16 16 GLU CA C 13 59.526 0 . 1 . . . . 16 GLU CA . 11493 1 66 . 1 1 16 16 GLU N N 15 121.92 0.013 . 1 . . . . 16 GLU N . 11493 1 67 . 1 1 17 17 LEU H H 1 7.593 0.005 . 1 . . . . 17 LEU HN . 11493 1 68 . 1 1 17 17 LEU CA C 13 57.93 0 . 1 . . . . 17 LEU CA . 11493 1 69 . 1 1 17 17 LEU N N 15 119.063 0.004 . 1 . . . . 17 LEU N . 11493 1 70 . 1 1 21 21 ALA H H 1 7.284 0.004 . 1 . . . . 21 ALA HN . 11493 1 71 . 1 1 21 21 ALA C C 13 178.31 0.008 . 1 . . . . 21 ALA CO . 11493 1 72 . 1 1 21 21 ALA CA C 13 53.017 0 . 1 . . . . 21 ALA CA . 11493 1 73 . 1 1 21 21 ALA CB C 13 19.629 0 . 1 . . . . 21 ALA CB . 11493 1 74 . 1 1 21 21 ALA N N 15 124.913 0.041 . 1 . . . . 21 ALA N . 11493 1 75 . 1 1 22 22 GLU H H 1 8.529 0.005 . 1 . . . . 22 GLU HN . 11493 1 76 . 1 1 22 22 GLU C C 13 177.101 0.02 . 1 . . . . 22 GLU CO . 11493 1 77 . 1 1 22 22 GLU CA C 13 57.801 0 . 1 . . . . 22 GLU CA . 11493 1 78 . 1 1 22 22 GLU CB C 13 30.796 0 . 1 . . . . 22 GLU CB . 11493 1 79 . 1 1 22 22 GLU N N 15 118.309 0.009 . 1 . . . . 22 GLU N . 11493 1 80 . 1 1 23 23 ASN H H 1 9.03 0.002 . 1 . . . . 23 ASN HN . 11493 1 81 . 1 1 23 23 ASN C C 13 174.125 0.004 . 1 . . . . 23 ASN CO . 11493 1 82 . 1 1 23 23 ASN CB C 13 41.175 0 . 1 . . . . 23 ASN CB . 11493 1 83 . 1 1 23 23 ASN N N 15 112.558 0.051 . 1 . . . . 23 ASN N . 11493 1 84 . 1 1 24 24 SER H H 1 7.101 0.003 . 1 . . . . 24 SER HN . 11493 1 85 . 1 1 24 24 SER N N 15 112.118 0.03 . 1 . . . . 24 SER N . 11493 1 86 . 1 1 25 25 SER H H 1 6.776 0.004 . 1 . . . . 25 SER HN . 11493 1 87 . 1 1 25 25 SER CB C 13 64.642 0 . 1 . . . . 25 SER CB . 11493 1 88 . 1 1 25 25 SER N N 15 106.97 0.004 . 1 . . . . 25 SER N . 11493 1 89 . 1 1 26 26 LEU H H 1 9.278 0.002 . 1 . . . . 26 LEU HN . 11493 1 90 . 1 1 26 26 LEU C C 13 177.39 0.006 . 1 . . . . 26 LEU CO . 11493 1 91 . 1 1 26 26 LEU N N 15 125.782 0.017 . 1 . . . . 26 LEU N . 11493 1 92 . 1 1 27 27 ASP H H 1 8.403 0.003 . 1 . . . . 27 ASP HN . 11493 1 93 . 1 1 27 27 ASP C C 13 176.334 0.006 . 1 . . . . 27 ASP CO . 11493 1 94 . 1 1 27 27 ASP CA C 13 52.224 0 . 1 . . . . 27 ASP CA . 11493 1 95 . 1 1 27 27 ASP CB C 13 38.075 0 . 1 . . . . 27 ASP CB . 11493 1 96 . 1 1 27 27 ASP N N 15 118.96 0.106 . 1 . . . . 27 ASP N . 11493 1 97 . 1 1 28 28 TRP H H 1 8.058 0.003 . 1 . . . . 28 TRP HN . 11493 1 98 . 1 1 28 28 TRP C C 13 178.4 0.005 . 1 . . . . 28 TRP CO . 11493 1 99 . 1 1 28 28 TRP CA C 13 58.039 0 . 1 . . . . 28 TRP CA . 11493 1 100 . 1 1 28 28 TRP N N 15 127.901 0.042 . 1 . . . . 28 TRP N . 11493 1 101 . 1 1 29 29 LYS H H 1 7.483 0.002 . 1 . . . . 29 LYS HN . 11493 1 102 . 1 1 29 29 LYS C C 13 178.093 0.002 . 1 . . . . 29 LYS CO . 11493 1 103 . 1 1 29 29 LYS CA C 13 58.182 0 . 1 . . . . 29 LYS CA . 11493 1 104 . 1 1 29 29 LYS N N 15 120.897 0.015 . 1 . . . . 29 LYS N . 11493 1 105 . 1 1 30 30 ALA H H 1 7.217 0.002 . 1 . . . . 30 ALA HN . 11493 1 106 . 1 1 30 30 ALA C C 13 178.293 0.016 . 1 . . . . 30 ALA CO . 11493 1 107 . 1 1 30 30 ALA CA C 13 53.682 0 . 1 . . . . 30 ALA CA . 11493 1 108 . 1 1 30 30 ALA CB C 13 17.688 0 . 1 . . . . 30 ALA CB . 11493 1 109 . 1 1 30 30 ALA N N 15 122.107 0.051 . 1 . . . . 30 ALA N . 11493 1 110 . 1 1 31 31 GLN H H 1 7.269 0.006 . 1 . . . . 31 GLN HN . 11493 1 111 . 1 1 31 31 GLN CA C 13 54.738 0 . 1 . . . . 31 GLN CA . 11493 1 112 . 1 1 31 31 GLN CB C 13 29.924 0 . 1 . . . . 31 GLN CB . 11493 1 113 . 1 1 31 31 GLN N N 15 110.253 0.024 . 1 . . . . 31 GLN N . 11493 1 114 . 1 1 32 32 TYR H H 1 7.573 0.011 . 1 . . . . 32 TYR HN . 11493 1 115 . 1 1 32 32 TYR C C 13 178.553 0.015 . 1 . . . . 32 TYR CO . 11493 1 116 . 1 1 32 32 TYR CB C 13 37.308 0 . 1 . . . . 32 TYR CB . 11493 1 117 . 1 1 32 32 TYR N N 15 119.717 0.017 . 1 . . . . 32 TYR N . 11493 1 118 . 1 1 33 33 LYS H H 1 7.5 0.004 . 1 . . . . 33 LYS HN . 11493 1 119 . 1 1 33 33 LYS C C 13 174.307 0 . 1 . . . . 33 LYS CO . 11493 1 120 . 1 1 33 33 LYS CA C 13 55.537 0 . 1 . . . . 33 LYS CA . 11493 1 121 . 1 1 33 33 LYS CB C 13 33.089 0 . 1 . . . . 33 LYS CB . 11493 1 122 . 1 1 33 33 LYS N N 15 109.389 0.047 . 1 . . . . 33 LYS N . 11493 1 123 . 1 1 34 34 TYR H H 1 7.331 0.003 . 1 . . . . 34 TYR HN . 11493 1 124 . 1 1 34 34 TYR C C 13 174.634 0.016 . 1 . . . . 34 TYR CO . 11493 1 125 . 1 1 34 34 TYR CA C 13 58.031 0 . 1 . . . . 34 TYR CA . 11493 1 126 . 1 1 34 34 TYR CB C 13 38.719 0 . 1 . . . . 34 TYR CB . 11493 1 127 . 1 1 34 34 TYR N N 15 124.249 0.036 . 1 . . . . 34 TYR N . 11493 1 128 . 1 1 35 35 ILE H H 1 7.391 0.005 . 1 . . . . 35 ILE HN . 11493 1 129 . 1 1 35 35 ILE C C 13 172.565 0.015 . 1 . . . . 35 ILE CO . 11493 1 130 . 1 1 35 35 ILE CA C 13 59.4 0 . 1 . . . . 35 ILE CA . 11493 1 131 . 1 1 35 35 ILE CB C 13 37.121 0 . 1 . . . . 35 ILE CB . 11493 1 132 . 1 1 35 35 ILE N N 15 123.203 0.047 . 1 . . . . 35 ILE N . 11493 1 133 . 1 1 36 36 GLU H H 1 8.781 0.003 . 1 . . . . 36 GLU HN . 11493 1 134 . 1 1 36 36 GLU C C 13 174.309 0.007 . 1 . . . . 36 GLU CO . 11493 1 135 . 1 1 36 36 GLU CA C 13 55.301 0 . 1 . . . . 36 GLU CA . 11493 1 136 . 1 1 36 36 GLU CB C 13 32.521 0 . 1 . . . . 36 GLU CB . 11493 1 137 . 1 1 36 36 GLU N N 15 125.81 0.048 . 1 . . . . 36 GLU N . 11493 1 138 . 1 1 37 37 ASP H H 1 8.967 0.006 . 1 . . . . 37 ASP HN . 11493 1 139 . 1 1 37 37 ASP C C 13 177.582 0.001 . 1 . . . . 37 ASP CO . 11493 1 140 . 1 1 37 37 ASP CA C 13 52.6 0 . 1 . . . . 37 ASP CA . 11493 1 141 . 1 1 37 37 ASP CB C 13 40.175 0 . 1 . . . . 37 ASP CB . 11493 1 142 . 1 1 37 37 ASP N N 15 123.281 0.036 . 1 . . . . 37 ASP N . 11493 1 143 . 1 1 38 38 ILE H H 1 8.804 0.002 . 1 . . . . 38 ILE HN . 11493 1 144 . 1 1 38 38 ILE C C 13 178.039 0.001 . 1 . . . . 38 ILE CO . 11493 1 145 . 1 1 38 38 ILE CB C 13 37.665 0 . 1 . . . . 38 ILE CB . 11493 1 146 . 1 1 38 38 ILE N N 15 121.993 0 . 1 . . . . 38 ILE N . 11493 1 147 . 1 1 39 39 GLY H H 1 9.573 0.003 . 1 . . . . 39 GLY HN . 11493 1 148 . 1 1 39 39 GLY C C 13 174.513 0 . 1 . . . . 39 GLY CO . 11493 1 149 . 1 1 39 39 GLY CA C 13 46.279 0.131 . 1 . . . . 39 GLY CA . 11493 1 150 . 1 1 39 39 GLY N N 15 111.592 0.005 . 1 . . . . 39 GLY N . 11493 1 151 . 1 1 40 40 ASP H H 1 8.119 0.002 . 1 . . . . 40 ASP HN . 11493 1 152 . 1 1 40 40 ASP C C 13 176.398 0.003 . 1 . . . . 40 ASP CO . 11493 1 153 . 1 1 40 40 ASP CA C 13 52.954 0.02 . 1 . . . . 40 ASP CA . 11493 1 154 . 1 1 40 40 ASP CB C 13 40.218 0.028 . 1 . . . . 40 ASP CB . 11493 1 155 . 1 1 40 40 ASP N N 15 117.693 0.054 . 1 . . . . 40 ASP N . 11493 1 156 . 1 1 41 41 GLY H H 1 8.708 0.004 . 1 . . . . 41 GLY HN . 11493 1 157 . 1 1 41 41 GLY C C 13 174.274 0.065 . 1 . . . . 41 GLY CO . 11493 1 158 . 1 1 41 41 GLY CA C 13 44.699 0.041 . 1 . . . . 41 GLY CA . 11493 1 159 . 1 1 41 41 GLY N N 15 109.473 0.04 . 1 . . . . 41 GLY N . 11493 1 160 . 1 1 42 42 ARG H H 1 7.719 0.009 . 1 . . . . 42 ARG HN . 11493 1 161 . 1 1 42 42 ARG C C 13 175.485 0.01 . 1 . . . . 42 ARG CO . 11493 1 162 . 1 1 42 42 ARG CA C 13 56.206 0.014 . 1 . . . . 42 ARG CA . 11493 1 163 . 1 1 42 42 ARG N N 15 118.62 0.05 . 1 . . . . 42 ARG N . 11493 1 164 . 1 1 43 43 GLY H H 1 8.413 0.004 . 1 . . . . 43 GLY HN . 11493 1 165 . 1 1 43 43 GLY CA C 13 43.739 0 . 1 . . . . 43 GLY CA . 11493 1 166 . 1 1 43 43 GLY N N 15 106.457 0.032 . 1 . . . . 43 GLY N . 11493 1 167 . 1 1 45 45 THR H H 1 8.863 0.004 . 1 . . . . 45 THR HN . 11493 1 168 . 1 1 45 45 THR C C 13 173.898 0.016 . 1 . . . . 45 THR CO . 11493 1 169 . 1 1 45 45 THR CA C 13 60.777 0.015 . 1 . . . . 45 THR CA . 11493 1 170 . 1 1 45 45 THR CB C 13 69.93 0 . 1 . . . . 45 THR CB . 11493 1 171 . 1 1 45 45 THR N N 15 119.953 0.022 . 1 . . . . 45 THR N . 11493 1 172 . 1 1 46 46 GLY H H 1 9.453 0.005 . 1 . . . . 46 GLY HN . 11493 1 173 . 1 1 46 46 GLY C C 13 174.285 0.006 . 1 . . . . 46 GLY CO . 11493 1 174 . 1 1 46 46 GLY CA C 13 45.388 0.083 . 1 . . . . 46 GLY CA . 11493 1 175 . 1 1 46 46 GLY N N 15 110.115 0.045 . 1 . . . . 46 GLY N . 11493 1 176 . 1 1 47 47 GLY H H 1 9.587 0.003 . 1 . . . . 47 GLY HN . 11493 1 177 . 1 1 47 47 GLY C C 13 180.938 0 . 1 . . . . 47 GLY CO . 11493 1 178 . 1 1 47 47 GLY CA C 13 45.781 0 . 1 . . . . 47 GLY CA . 11493 1 179 . 1 1 47 47 GLY N N 15 104.836 0.002 . 1 . . . . 47 GLY N . 11493 1 180 . 1 1 61 61 LEU H H 1 7.976 0.003 . 1 . . . . 61 LEU HN . 11493 1 181 . 1 1 61 61 LEU C C 13 177.873 0.004 . 1 . . . . 61 LEU CO . 11493 1 182 . 1 1 61 61 LEU CA C 13 58.344 0.061 . 1 . . . . 61 LEU CA . 11493 1 183 . 1 1 61 61 LEU N N 15 120.111 0.054 . 1 . . . . 61 LEU N . 11493 1 184 . 1 1 62 62 VAL H H 1 8.636 0.008 . 1 . . . . 62 VAL HN . 11493 1 185 . 1 1 62 62 VAL C C 13 179.497 0.003 . 1 . . . . 62 VAL CO . 11493 1 186 . 1 1 62 62 VAL CA C 13 67.393 0.029 . 1 . . . . 62 VAL CA . 11493 1 187 . 1 1 62 62 VAL CB C 13 30.615 0.012 . 1 . . . . 62 VAL CB . 11493 1 188 . 1 1 62 62 VAL N N 15 120.091 0.029 . 1 . . . . 62 VAL N . 11493 1 189 . 1 1 63 63 GLN H H 1 9.145 0.004 . 1 . . . . 63 GLN HN . 11493 1 190 . 1 1 63 63 GLN C C 13 177.27 0.002 . 1 . . . . 63 GLN CO . 11493 1 191 . 1 1 63 63 GLN CA C 13 59.517 0.086 . 1 . . . . 63 GLN CA . 11493 1 192 . 1 1 63 63 GLN CB C 13 27.843 0.064 . 1 . . . . 63 GLN CB . 11493 1 193 . 1 1 63 63 GLN N N 15 125.342 0.039 . 1 . . . . 63 GLN N . 11493 1 194 . 1 1 64 64 HIS H H 1 8.654 0.003 . 1 . . . . 64 HIS HN . 11493 1 195 . 1 1 64 64 HIS C C 13 176.694 0 . 1 . . . . 64 HIS CO . 11493 1 196 . 1 1 64 64 HIS CA C 13 58.71 0 . 1 . . . . 64 HIS CA . 11493 1 197 . 1 1 64 64 HIS CB C 13 28.093 0 . 1 . . . . 64 HIS CB . 11493 1 198 . 1 1 64 64 HIS N N 15 120.228 0.051 . 1 . . . . 64 HIS N . 11493 1 199 . 1 1 65 65 TYR H H 1 9.066 0.004 . 1 . . . . 65 TYR HN . 11493 1 200 . 1 1 65 65 TYR CA C 13 57.382 0 . 1 . . . . 65 TYR CA . 11493 1 201 . 1 1 65 65 TYR N N 15 118.161 0.014 . 1 . . . . 65 TYR N . 11493 1 202 . 1 1 67 67 ASP H H 1 8.145 0.001 . 1 . . . . 67 ASP HN . 11493 1 203 . 1 1 67 67 ASP C C 13 178.351 0.014 . 1 . . . . 67 ASP CO . 11493 1 204 . 1 1 67 67 ASP CA C 13 56.778 0.052 . 1 . . . . 67 ASP CA . 11493 1 205 . 1 1 67 67 ASP CB C 13 39.59 0.139 . 1 . . . . 67 ASP CB . 11493 1 206 . 1 1 67 67 ASP N N 15 123.206 0.008 . 1 . . . . 67 ASP N . 11493 1 207 . 1 1 68 68 LEU H H 1 7.362 0.003 . 1 . . . . 68 LEU HN . 11493 1 208 . 1 1 68 68 LEU C C 13 177.842 0.054 . 1 . . . . 68 LEU CO . 11493 1 209 . 1 1 68 68 LEU CA C 13 56.586 0.056 . 1 . . . . 68 LEU CA . 11493 1 210 . 1 1 68 68 LEU CB C 13 42.915 0.022 . 1 . . . . 68 LEU CB . 11493 1 211 . 1 1 68 68 LEU N N 15 117.2 0.059 . 1 . . . . 68 LEU N . 11493 1 212 . 1 1 69 69 GLU H H 1 8.256 0.001 . 1 . . . . 69 GLU HN . 11493 1 213 . 1 1 69 69 GLU C C 13 171.269 0 . 1 . . . . 69 GLU CO . 11493 1 214 . 1 1 69 69 GLU CB C 13 29.661 0 . 1 . . . . 69 GLU CB . 11493 1 215 . 1 1 69 69 GLU N N 15 119.771 0.048 . 1 . . . . 69 GLU N . 11493 1 216 . 1 1 70 70 PRO C C 13 177.791 0 . 1 . . . . 70 PRO CO . 11493 1 217 . 1 1 70 70 PRO CA C 13 64.528 0 . 1 . . . . 70 PRO CA . 11493 1 218 . 1 1 70 70 PRO CB C 13 31.484 0 . 1 . . . . 70 PRO CB . 11493 1 219 . 1 1 71 71 GLY H H 1 8.653 0.002 . 1 . . . . 71 GLY HN . 11493 1 220 . 1 1 71 71 GLY CA C 13 45.2 0.021 . 1 . . . . 71 GLY CA . 11493 1 221 . 1 1 71 71 GLY N N 15 106.138 0.012 . 1 . . . . 71 GLY N . 11493 1 222 . 1 1 72 72 ASN H H 1 6.999 0.003 . 1 . . . . 72 ASN HN . 11493 1 223 . 1 1 72 72 ASN C C 13 175.144 0.01 . 1 . . . . 72 ASN CO . 11493 1 224 . 1 1 72 72 ASN CA C 13 53.492 0.073 . 1 . . . . 72 ASN CA . 11493 1 225 . 1 1 72 72 ASN CB C 13 39.545 0.062 . 1 . . . . 72 ASN CB . 11493 1 226 . 1 1 72 72 ASN N N 15 116.221 0.007 . 1 . . . . 72 ASN N . 11493 1 227 . 1 1 73 73 ILE H H 1 8.52 0.003 . 1 . . . . 73 ILE HN . 11493 1 228 . 1 1 73 73 ILE CA C 13 63.996 0 . 1 . . . . 73 ILE CA . 11493 1 229 . 1 1 73 73 ILE CB C 13 42.52 0 . 1 . . . . 73 ILE CB . 11493 1 230 . 1 1 73 73 ILE N N 15 117.441 0.058 . 1 . . . . 73 ILE N . 11493 1 231 . 1 1 74 74 LEU H H 1 9.005 0.004 . 1 . . . . 74 LEU HN . 11493 1 232 . 1 1 74 74 LEU C C 13 178.254 0.003 . 1 . . . . 74 LEU CO . 11493 1 233 . 1 1 74 74 LEU CA C 13 53.962 0.041 . 1 . . . . 74 LEU CA . 11493 1 234 . 1 1 74 74 LEU CB C 13 42.595 0.076 . 1 . . . . 74 LEU CB . 11493 1 235 . 1 1 74 74 LEU N N 15 118.896 0.052 . 1 . . . . 74 LEU N . 11493 1 236 . 1 1 75 75 ALA H H 1 7.242 0.005 . 1 . . . . 75 ALA HN . 11493 1 237 . 1 1 75 75 ALA C C 13 181.101 0.009 . 1 . . . . 75 ALA CO . 11493 1 238 . 1 1 75 75 ALA CA C 13 55.134 0.006 . 1 . . . . 75 ALA CA . 11493 1 239 . 1 1 75 75 ALA CB C 13 17.969 0.096 . 1 . . . . 75 ALA CB . 11493 1 240 . 1 1 75 75 ALA N N 15 126.314 0.015 . 1 . . . . 75 ALA N . 11493 1 241 . 1 1 76 76 LYS H H 1 8.342 0.005 . 1 . . . . 76 LYS HN . 11493 1 242 . 1 1 76 76 LYS C C 13 176.88 0 . 1 . . . . 76 LYS CO . 11493 1 243 . 1 1 76 76 LYS CA C 13 56.975 0 . 1 . . . . 76 LYS CA . 11493 1 244 . 1 1 76 76 LYS CB C 13 30.158 0 . 1 . . . . 76 LYS CB . 11493 1 245 . 1 1 76 76 LYS N N 15 115.496 0.022 . 1 . . . . 76 LYS N . 11493 1 246 . 1 1 84 84 VAL H H 1 8.298 0.004 . 1 . . . . 84 VAL HN . 11493 1 247 . 1 1 84 84 VAL C C 13 176.283 0.009 . 1 . . . . 84 VAL CO . 11493 1 248 . 1 1 84 84 VAL CA C 13 62.238 0.026 . 1 . . . . 84 VAL CA . 11493 1 249 . 1 1 84 84 VAL N N 15 109.363 0.057 . 1 . . . . 84 VAL N . 11493 1 250 . 1 1 85 85 ASN H H 1 6.804 0.003 . 1 . . . . 85 ASN HN . 11493 1 251 . 1 1 85 85 ASN C C 13 176.203 0.033 . 1 . . . . 85 ASN CO . 11493 1 252 . 1 1 85 85 ASN CA C 13 54.712 0.01 . 1 . . . . 85 ASN CA . 11493 1 253 . 1 1 85 85 ASN CB C 13 37.706 0.067 . 1 . . . . 85 ASN CB . 11493 1 254 . 1 1 85 85 ASN N N 15 118.853 0.014 . 1 . . . . 85 ASN N . 11493 1 255 . 1 1 86 86 GLY H H 1 8.124 0.002 . 1 . . . . 86 GLY HN . 11493 1 256 . 1 1 86 86 GLY CA C 13 45.106 0.01 . 1 . . . . 86 GLY CA . 11493 1 257 . 1 1 86 86 GLY N N 15 116.406 0.032 . 1 . . . . 86 GLY N . 11493 1 258 . 1 1 87 87 SER H H 1 8.898 0.003 . 1 . . . . 87 SER HN . 11493 1 259 . 1 1 87 87 SER C C 13 171.685 0.005 . 1 . . . . 87 SER CO . 11493 1 260 . 1 1 87 87 SER CA C 13 56.971 0.067 . 1 . . . . 87 SER CA . 11493 1 261 . 1 1 87 87 SER CB C 13 68.762 0.053 . 1 . . . . 87 SER CB . 11493 1 262 . 1 1 87 87 SER N N 15 118.195 0.042 . 1 . . . . 87 SER N . 11493 1 263 . 1 1 88 88 ALA H H 1 8.483 0.004 . 1 . . . . 88 ALA HN . 11493 1 264 . 1 1 88 88 ALA C C 13 176.459 0.013 . 1 . . . . 88 ALA CO . 11493 1 265 . 1 1 88 88 ALA CA C 13 50.486 0.024 . 1 . . . . 88 ALA CA . 11493 1 266 . 1 1 88 88 ALA CB C 13 17.845 0 . 1 . . . . 88 ALA CB . 11493 1 267 . 1 1 88 88 ALA N N 15 120.715 0.069 . 1 . . . . 88 ALA N . 11493 1 268 . 1 1 89 89 SER H H 1 7.596 0.001 . 1 . . . . 89 SER HN . 11493 1 269 . 1 1 89 89 SER CA C 13 58.679 0.065 . 1 . . . . 89 SER CA . 11493 1 270 . 1 1 89 89 SER CB C 13 63.983 0.081 . 1 . . . . 89 SER CB . 11493 1 271 . 1 1 89 89 SER N N 15 110.676 0.046 . 1 . . . . 89 SER N . 11493 1 272 . 1 1 90 90 HIS H H 1 8.793 0.002 . 1 . . . . 90 HIS HN . 11493 1 273 . 1 1 90 90 HIS C C 13 175.706 0.001 . 1 . . . . 90 HIS CO . 11493 1 274 . 1 1 90 90 HIS CA C 13 52.021 0.01 . 1 . . . . 90 HIS CA . 11493 1 275 . 1 1 90 90 HIS CB C 13 29.648 0.042 . 1 . . . . 90 HIS CB . 11493 1 276 . 1 1 90 90 HIS N N 15 120.158 0.018 . 1 . . . . 90 HIS N . 11493 1 277 . 1 1 91 91 SER H H 1 8.594 0.003 . 1 . . . . 91 SER HN . 11493 1 278 . 1 1 91 91 SER CA C 13 60.533 0.01 . 1 . . . . 91 SER CA . 11493 1 279 . 1 1 91 91 SER CB C 13 62.802 0.005 . 1 . . . . 91 SER CB . 11493 1 280 . 1 1 91 91 SER N N 15 120.303 0.007 . 1 . . . . 91 SER N . 11493 1 281 . 1 1 92 92 GLY H H 1 8.682 0.005 . 1 . . . . 92 GLY HN . 11493 1 282 . 1 1 92 92 GLY CA C 13 45.289 0.074 . 1 . . . . 92 GLY CA . 11493 1 283 . 1 1 92 92 GLY N N 15 113.464 0.022 . 1 . . . . 92 GLY N . 11493 1 284 . 1 1 93 93 LEU H H 1 7.968 0.004 . 1 . . . . 93 LEU HN . 11493 1 285 . 1 1 93 93 LEU C C 13 176.023 0.009 . 1 . . . . 93 LEU CO . 11493 1 286 . 1 1 93 93 LEU CA C 13 53.923 0.028 . 1 . . . . 93 LEU CA . 11493 1 287 . 1 1 93 93 LEU CB C 13 39.928 0 . 1 . . . . 93 LEU CB . 11493 1 288 . 1 1 93 93 LEU N N 15 120.596 0.043 . 1 . . . . 93 LEU N . 11493 1 289 . 1 1 94 94 GLY H H 1 7.364 0.003 . 1 . . . . 94 GLY HN . 11493 1 290 . 1 1 94 94 GLY CA C 13 45.444 0.026 . 1 . . . . 94 GLY CA . 11493 1 291 . 1 1 94 94 GLY N N 15 108.167 0.066 . 1 . . . . 94 GLY N . 11493 1 292 . 1 1 95 95 THR H H 1 8.878 0.002 . 1 . . . . 95 THR HN . 11493 1 293 . 1 1 95 95 THR CA C 13 65.938 0 . 1 . . . . 95 THR CA . 11493 1 294 . 1 1 95 95 THR CB C 13 67.228 0 . 1 . . . . 95 THR CB . 11493 1 295 . 1 1 95 95 THR N N 15 116.073 0 . 1 . . . . 95 THR N . 11493 1 296 . 1 1 98 98 THR H H 1 7.947 0.001 . 1 . . . . 98 THR HN . 11493 1 297 . 1 1 98 98 THR CA C 13 65.242 0.006 . 1 . . . . 98 THR CA . 11493 1 298 . 1 1 98 98 THR CB C 13 67.166 0.022 . 1 . . . . 98 THR CB . 11493 1 299 . 1 1 98 98 THR N N 15 109.635 0 . 1 . . . . 98 THR N . 11493 1 300 . 1 1 99 99 LYS H H 1 8.347 0.006 . 1 . . . . 99 LYS HN . 11493 1 301 . 1 1 99 99 LYS C C 13 178.975 0.008 . 1 . . . . 99 LYS CO . 11493 1 302 . 1 1 99 99 LYS CA C 13 59.407 0.052 . 1 . . . . 99 LYS CA . 11493 1 303 . 1 1 99 99 LYS CB C 13 31.885 0.057 . 1 . . . . 99 LYS CB . 11493 1 304 . 1 1 99 99 LYS N N 15 125.621 0.052 . 1 . . . . 99 LYS N . 11493 1 305 . 1 1 100 100 ASP H H 1 8.256 0.003 . 1 . . . . 100 ASP HN . 11493 1 306 . 1 1 100 100 ASP C C 13 177.563 0.008 . 1 . . . . 100 ASP CO . 11493 1 307 . 1 1 100 100 ASP CA C 13 57.47 0.017 . 1 . . . . 100 ASP CA . 11493 1 308 . 1 1 100 100 ASP CB C 13 40.177 0.037 . 1 . . . . 100 ASP CB . 11493 1 309 . 1 1 100 100 ASP N N 15 121.776 0.059 . 1 . . . . 100 ASP N . 11493 1 310 . 1 1 101 101 TRP H H 1 8.747 0.002 . 1 . . . . 101 TRP HN . 11493 1 311 . 1 1 101 101 TRP C C 13 176.697 0.002 . 1 . . . . 101 TRP CO . 11493 1 312 . 1 1 101 101 TRP CA C 13 61.483 0.088 . 1 . . . . 101 TRP CA . 11493 1 313 . 1 1 101 101 TRP N N 15 123.003 0.029 . 1 . . . . 101 TRP N . 11493 1 314 . 1 1 102 102 ALA H H 1 7.229 0.004 . 1 . . . . 102 ALA HN . 11493 1 315 . 1 1 102 102 ALA C C 13 180.544 0.003 . 1 . . . . 102 ALA CO . 11493 1 316 . 1 1 102 102 ALA CA C 13 55.612 0.002 . 1 . . . . 102 ALA CA . 11493 1 317 . 1 1 102 102 ALA CB C 13 17.608 0.018 . 1 . . . . 102 ALA CB . 11493 1 318 . 1 1 102 102 ALA N N 15 118.825 0.023 . 1 . . . . 102 ALA N . 11493 1 319 . 1 1 103 103 THR H H 1 8.062 0.004 . 1 . . . . 103 THR HN . 11493 1 320 . 1 1 103 103 THR CA C 13 66.4 0.037 . 1 . . . . 103 THR CA . 11493 1 321 . 1 1 103 103 THR CB C 13 68.058 0.006 . 1 . . . . 103 THR CB . 11493 1 322 . 1 1 103 103 THR N N 15 117.238 0.005 . 1 . . . . 103 THR N . 11493 1 323 . 1 1 104 104 ALA H H 1 8.964 0.006 . 1 . . . . 104 ALA HN . 11493 1 324 . 1 1 104 104 ALA C C 13 178.257 0.014 . 1 . . . . 104 ALA CO . 11493 1 325 . 1 1 104 104 ALA CA C 13 54.78 0.046 . 1 . . . . 104 ALA CA . 11493 1 326 . 1 1 104 104 ALA CB C 13 16.693 0.052 . 1 . . . . 104 ALA CB . 11493 1 327 . 1 1 104 104 ALA N N 15 127.754 0.026 . 1 . . . . 104 ALA N . 11493 1 328 . 1 1 105 105 ALA H H 1 7.898 0.001 . 1 . . . . 105 ALA HN . 11493 1 329 . 1 1 105 105 ALA C C 13 177.509 0.009 . 1 . . . . 105 ALA CO . 11493 1 330 . 1 1 105 105 ALA CA C 13 54.284 0 . 1 . . . . 105 ALA CA . 11493 1 331 . 1 1 105 105 ALA CB C 13 16.979 0.037 . 1 . . . . 105 ALA CB . 11493 1 332 . 1 1 105 105 ALA N N 15 116.426 0.04 . 1 . . . . 105 ALA N . 11493 1 333 . 1 1 106 106 LYS H H 1 7.493 0.003 . 1 . . . . 106 LYS HN . 11493 1 334 . 1 1 106 106 LYS C C 13 176.101 0.015 . 1 . . . . 106 LYS CO . 11493 1 335 . 1 1 106 106 LYS CA C 13 56.928 0.004 . 1 . . . . 106 LYS CA . 11493 1 336 . 1 1 106 106 LYS CB C 13 32.331 0.034 . 1 . . . . 106 LYS CB . 11493 1 337 . 1 1 106 106 LYS N N 15 117.529 0.056 . 1 . . . . 106 LYS N . 11493 1 338 . 1 1 107 107 ASP H H 1 8.28 0.003 . 1 . . . . 107 ASP HN . 11493 1 339 . 1 1 107 107 ASP C C 13 178.113 0.024 . 1 . . . . 107 ASP CO . 11493 1 340 . 1 1 107 107 ASP CA C 13 53.03 0 . 1 . . . . 107 ASP CA . 11493 1 341 . 1 1 107 107 ASP CB C 13 40.359 0 . 1 . . . . 107 ASP CB . 11493 1 342 . 1 1 107 107 ASP N N 15 120.7 0.054 . 1 . . . . 107 ASP N . 11493 1 343 . 1 1 108 108 THR H H 1 8.95 0.004 . 1 . . . . 108 THR HN . 11493 1 344 . 1 1 108 108 THR CA C 13 64.986 0 . 1 . . . . 108 THR CA . 11493 1 345 . 1 1 108 108 THR CB C 13 68.053 0 . 1 . . . . 108 THR CB . 11493 1 346 . 1 1 108 108 THR N N 15 123.636 0.033 . 1 . . . . 108 THR N . 11493 1 347 . 1 1 112 112 GLN H H 1 8.045 0.001 . 1 . . . . 112 GLN HN . 11493 1 348 . 1 1 112 112 GLN C C 13 177.22 0.013 . 1 . . . . 112 GLN CO . 11493 1 349 . 1 1 112 112 GLN CA C 13 58.463 0.027 . 1 . . . . 112 GLN CA . 11493 1 350 . 1 1 112 112 GLN N N 15 118.359 0.004 . 1 . . . . 112 GLN N . 11493 1 351 . 1 1 113 113 ALA H H 1 8.367 0.004 . 1 . . . . 113 ALA HN . 11493 1 352 . 1 1 113 113 ALA C C 13 179.129 0.002 . 1 . . . . 113 ALA CO . 11493 1 353 . 1 1 113 113 ALA CA C 13 55.313 0 . 1 . . . . 113 ALA CA . 11493 1 354 . 1 1 113 113 ALA CB C 13 16.666 0.017 . 1 . . . . 113 ALA CB . 11493 1 355 . 1 1 113 113 ALA N N 15 120.614 0.078 . 1 . . . . 113 ALA N . 11493 1 356 . 1 1 114 114 GLN H H 1 7.879 0.007 . 1 . . . . 114 GLN HN . 11493 1 357 . 1 1 114 114 GLN C C 13 178.003 0.003 . 1 . . . . 114 GLN CO . 11493 1 358 . 1 1 114 114 GLN CA C 13 60.734 0.076 . 1 . . . . 114 GLN CA . 11493 1 359 . 1 1 114 114 GLN CB C 13 28.436 0 . 1 . . . . 114 GLN CB . 11493 1 360 . 1 1 114 114 GLN N N 15 116.499 0.03 . 1 . . . . 114 GLN N . 11493 1 361 . 1 1 115 115 ASN H H 1 8.703 0.003 . 1 . . . . 115 ASN HN . 11493 1 362 . 1 1 115 115 ASN C C 13 177.202 0.01 . 1 . . . . 115 ASN CO . 11493 1 363 . 1 1 115 115 ASN CA C 13 55.823 0.057 . 1 . . . . 115 ASN CA . 11493 1 364 . 1 1 115 115 ASN CB C 13 37.064 0.052 . 1 . . . . 115 ASN CB . 11493 1 365 . 1 1 115 115 ASN N N 15 121.515 0.06 . 1 . . . . 115 ASN N . 11493 1 366 . 1 1 116 116 ASP H H 1 9.363 0.002 . 1 . . . . 116 ASP HN . 11493 1 367 . 1 1 116 116 ASP C C 13 179.342 0 . 1 . . . . 116 ASP CO . 11493 1 368 . 1 1 116 116 ASP CA C 13 56.913 0 . 1 . . . . 116 ASP CA . 11493 1 369 . 1 1 116 116 ASP CB C 13 40.078 0 . 1 . . . . 116 ASP CB . 11493 1 370 . 1 1 116 116 ASP N N 15 119.563 0.006 . 1 . . . . 116 ASP N . 11493 1 371 . 1 1 125 125 PRO C C 13 179.544 0 . 1 . . . . 125 PRO CO . 11493 1 372 . 1 1 125 125 PRO CA C 13 66.033 0 . 1 . . . . 125 PRO CA . 11493 1 373 . 1 1 125 125 PRO CB C 13 31.049 0 . 1 . . . . 125 PRO CB . 11493 1 374 . 1 1 126 126 ALA H H 1 7.266 0.005 . 1 . . . . 126 ALA HN . 11493 1 375 . 1 1 126 126 ALA C C 13 178.827 0.022 . 1 . . . . 126 ALA CO . 11493 1 376 . 1 1 126 126 ALA CA C 13 55.595 0.074 . 1 . . . . 126 ALA CA . 11493 1 377 . 1 1 126 126 ALA CB C 13 17.859 0.046 . 1 . . . . 126 ALA CB . 11493 1 378 . 1 1 126 126 ALA N N 15 119.087 0.067 . 1 . . . . 126 ALA N . 11493 1 379 . 1 1 127 127 VAL H H 1 8.48 0.004 . 1 . . . . 127 VAL HN . 11493 1 380 . 1 1 127 127 VAL C C 13 178.471 0.002 . 1 . . . . 127 VAL CO . 11493 1 381 . 1 1 127 127 VAL N N 15 118.364 0.027 . 1 . . . . 127 VAL N . 11493 1 382 . 1 1 128 128 SER H H 1 8.614 0.002 . 1 . . . . 128 SER HN . 11493 1 383 . 1 1 128 128 SER CA C 13 61.8 0.006 . 1 . . . . 128 SER CA . 11493 1 384 . 1 1 128 128 SER N N 15 114.796 0.022 . 1 . . . . 128 SER N . 11493 1 385 . 1 1 129 129 GLN H H 1 7.875 0.005 . 1 . . . . 129 GLN HN . 11493 1 386 . 1 1 129 129 GLN C C 13 178.084 0.006 . 1 . . . . 129 GLN CO . 11493 1 387 . 1 1 129 129 GLN CA C 13 57.573 0.033 . 1 . . . . 129 GLN CA . 11493 1 388 . 1 1 129 129 GLN CB C 13 29.157 0 . 1 . . . . 129 GLN CB . 11493 1 389 . 1 1 129 129 GLN N N 15 122.546 0.035 . 1 . . . . 129 GLN N . 11493 1 390 . 1 1 130 130 ALA H H 1 8.489 0.003 . 1 . . . . 130 ALA HN . 11493 1 391 . 1 1 130 130 ALA C C 13 179.686 0.002 . 1 . . . . 130 ALA CO . 11493 1 392 . 1 1 130 130 ALA CA C 13 54.995 0.071 . 1 . . . . 130 ALA CA . 11493 1 393 . 1 1 130 130 ALA CB C 13 20.061 0.031 . 1 . . . . 130 ALA CB . 11493 1 394 . 1 1 130 130 ALA N N 15 122.595 0.036 . 1 . . . . 130 ALA N . 11493 1 395 . 1 1 131 131 LYS H H 1 8.703 0.004 . 1 . . . . 131 LYS HN . 11493 1 396 . 1 1 131 131 LYS C C 13 181.193 0.036 . 1 . . . . 131 LYS CO . 11493 1 397 . 1 1 131 131 LYS N N 15 118.902 0.034 . 1 . . . . 131 LYS N . 11493 1 398 . 1 1 132 132 ALA H H 1 8.176 0.005 . 1 . . . . 132 ALA HN . 11493 1 399 . 1 1 132 132 ALA C C 13 179.342 0.009 . 1 . . . . 132 ALA CO . 11493 1 400 . 1 1 132 132 ALA CA C 13 55.015 0.033 . 1 . . . . 132 ALA CA . 11493 1 401 . 1 1 132 132 ALA CB C 13 17.224 0.082 . 1 . . . . 132 ALA CB . 11493 1 402 . 1 1 132 132 ALA N N 15 124.897 0.063 . 1 . . . . 132 ALA N . 11493 1 403 . 1 1 133 133 ASP H H 1 7.659 0.004 . 1 . . . . 133 ASP HN . 11493 1 404 . 1 1 133 133 ASP C C 13 175.693 0.004 . 1 . . . . 133 ASP CO . 11493 1 405 . 1 1 133 133 ASP CA C 13 55.2 0.005 . 1 . . . . 133 ASP CA . 11493 1 406 . 1 1 133 133 ASP CB C 13 40.615 0.089 . 1 . . . . 133 ASP CB . 11493 1 407 . 1 1 133 133 ASP N N 15 118.321 0.025 . 1 . . . . 133 ASP N . 11493 1 408 . 1 1 134 134 GLY H H 1 7.967 0.004 . 1 . . . . 134 GLY HN . 11493 1 409 . 1 1 134 134 GLY CA C 13 45.695 0.014 . 1 . . . . 134 GLY CA . 11493 1 410 . 1 1 134 134 GLY N N 15 109.631 0.044 . 1 . . . . 134 GLY N . 11493 1 411 . 1 1 135 135 LEU H H 1 7.821 0.002 . 1 . . . . 135 LEU HN . 11493 1 412 . 1 1 135 135 LEU C C 13 179.055 0.001 . 1 . . . . 135 LEU CO . 11493 1 413 . 1 1 135 135 LEU CA C 13 53.791 0.035 . 1 . . . . 135 LEU CA . 11493 1 414 . 1 1 135 135 LEU CB C 13 42.632 0.044 . 1 . . . . 135 LEU CB . 11493 1 415 . 1 1 135 135 LEU N N 15 117.39 0.001 . 1 . . . . 135 LEU N . 11493 1 416 . 1 1 136 136 ARG H H 1 9.989 0.004 . 1 . . . . 136 ARG HN . 11493 1 417 . 1 1 136 136 ARG C C 13 175.935 0.012 . 1 . . . . 136 ARG CO . 11493 1 418 . 1 1 136 136 ARG CA C 13 56.802 0.037 . 1 . . . . 136 ARG CA . 11493 1 419 . 1 1 136 136 ARG N N 15 125.293 0.034 . 1 . . . . 136 ARG N . 11493 1 420 . 1 1 137 137 ALA H H 1 8.988 0.008 . 1 . . . . 137 ALA HN . 11493 1 421 . 1 1 137 137 ALA C C 13 178.628 0.03 . 1 . . . . 137 ALA CO . 11493 1 422 . 1 1 137 137 ALA CA C 13 56.469 0.019 . 1 . . . . 137 ALA CA . 11493 1 423 . 1 1 137 137 ALA N N 15 120.001 0.051 . 1 . . . . 137 ALA N . 11493 1 424 . 1 1 138 138 LEU H H 1 8.217 0.005 . 1 . . . . 138 LEU HN . 11493 1 425 . 1 1 138 138 LEU C C 13 177.997 0.033 . 1 . . . . 138 LEU CO . 11493 1 426 . 1 1 138 138 LEU CA C 13 58.906 0.041 . 1 . . . . 138 LEU CA . 11493 1 427 . 1 1 138 138 LEU N N 15 117.633 0.048 . 1 . . . . 138 LEU N . 11493 1 428 . 1 1 139 139 GLY H H 1 9.48 0.009 . 1 . . . . 139 GLY HN . 11493 1 429 . 1 1 139 139 GLY CA C 13 48.596 0.043 . 1 . . . . 139 GLY CA . 11493 1 430 . 1 1 139 139 GLY N N 15 109.814 0.053 . 1 . . . . 139 GLY N . 11493 1 431 . 1 1 140 140 GLN H H 1 8.124 0.001 . 1 . . . . 140 GLN HN . 11493 1 432 . 1 1 140 140 GLN C C 13 176.887 0.003 . 1 . . . . 140 GLN CO . 11493 1 433 . 1 1 140 140 GLN CA C 13 58.569 0.076 . 1 . . . . 140 GLN CA . 11493 1 434 . 1 1 140 140 GLN CB C 13 27.981 0.021 . 1 . . . . 140 GLN CB . 11493 1 435 . 1 1 140 140 GLN N N 15 119.609 0.042 . 1 . . . . 140 GLN N . 11493 1 436 . 1 1 141 141 PHE H H 1 8.766 0.003 . 1 . . . . 141 PHE HN . 11493 1 437 . 1 1 141 141 PHE C C 13 175.31 0.008 . 1 . . . . 141 PHE CO . 11493 1 438 . 1 1 141 141 PHE CA C 13 61.274 0 . 1 . . . . 141 PHE CA . 11493 1 439 . 1 1 141 141 PHE CB C 13 38.551 0.008 . 1 . . . . 141 PHE CB . 11493 1 440 . 1 1 141 141 PHE N N 15 119.347 0.038 . 1 . . . . 141 PHE N . 11493 1 441 . 1 1 142 142 ALA H H 1 9.182 0.006 . 1 . . . . 142 ALA HN . 11493 1 442 . 1 1 142 142 ALA C C 13 181.493 0.016 . 1 . . . . 142 ALA CO . 11493 1 443 . 1 1 142 142 ALA CA C 13 54.404 0.078 . 1 . . . . 142 ALA CA . 11493 1 444 . 1 1 142 142 ALA CB C 13 16.43 0.093 . 1 . . . . 142 ALA CB . 11493 1 445 . 1 1 142 142 ALA N N 15 123.151 0.078 . 1 . . . . 142 ALA N . 11493 1 446 . 1 1 143 143 TYR H H 1 8.127 0.009 . 1 . . . . 143 TYR HN . 11493 1 447 . 1 1 143 143 TYR C C 13 176.233 0.027 . 1 . . . . 143 TYR CO . 11493 1 448 . 1 1 143 143 TYR CA C 13 59.323 0.021 . 1 . . . . 143 TYR CA . 11493 1 449 . 1 1 143 143 TYR CB C 13 35.683 0.088 . 1 . . . . 143 TYR CB . 11493 1 450 . 1 1 143 143 TYR N N 15 119.331 0.072 . 1 . . . . 143 TYR N . 11493 1 451 . 1 1 144 144 TYR H H 1 7.827 0.002 . 1 . . . . 144 TYR HN . 11493 1 452 . 1 1 144 144 TYR CA C 13 59.88 0.007 . 1 . . . . 144 TYR CA . 11493 1 453 . 1 1 144 144 TYR N N 15 121.677 0.03 . 1 . . . . 144 TYR N . 11493 1 454 . 1 1 145 145 ASP H H 1 8.873 0.002 . 1 . . . . 145 ASP HN . 11493 1 455 . 1 1 145 145 ASP CA C 13 57.115 0.047 . 1 . . . . 145 ASP CA . 11493 1 456 . 1 1 145 145 ASP CB C 13 42.947 0.01 . 1 . . . . 145 ASP CB . 11493 1 457 . 1 1 145 145 ASP N N 15 117.686 0.062 . 1 . . . . 145 ASP N . 11493 1 458 . 1 1 146 146 ALA H H 1 7.342 0.003 . 1 . . . . 146 ALA HN . 11493 1 459 . 1 1 146 146 ALA C C 13 178.791 0.017 . 1 . . . . 146 ALA CO . 11493 1 460 . 1 1 146 146 ALA CA C 13 54.111 0.048 . 1 . . . . 146 ALA CA . 11493 1 461 . 1 1 146 146 ALA CB C 13 18.967 0.03 . 1 . . . . 146 ALA CB . 11493 1 462 . 1 1 146 146 ALA N N 15 114.417 0.031 . 1 . . . . 146 ALA N . 11493 1 463 . 1 1 147 147 ILE H H 1 8.486 0.008 . 1 . . . . 147 ILE HN . 11493 1 464 . 1 1 147 147 ILE C C 13 173.295 0 . 1 . . . . 147 ILE CO . 11493 1 465 . 1 1 147 147 ILE CA C 13 66.269 0 . 1 . . . . 147 ILE CA . 11493 1 466 . 1 1 147 147 ILE CB C 13 37.637 0 . 1 . . . . 147 ILE CB . 11493 1 467 . 1 1 147 147 ILE N N 15 122.254 0.045 . 1 . . . . 147 ILE N . 11493 1 468 . 1 1 152 152 PRO C C 13 177.027 0 . 1 . . . . 152 PRO CO . 11493 1 469 . 1 1 152 152 PRO CA C 13 62.513 0 . 1 . . . . 152 PRO CA . 11493 1 470 . 1 1 152 152 PRO CB C 13 32.499 0 . 1 . . . . 152 PRO CB . 11493 1 471 . 1 1 153 153 GLY H H 1 8.919 0.001 . 1 . . . . 153 GLY HN . 11493 1 472 . 1 1 153 153 GLY C C 13 173.293 0.002 . 1 . . . . 153 GLY CO . 11493 1 473 . 1 1 153 153 GLY CA C 13 44.404 0.024 . 1 . . . . 153 GLY CA . 11493 1 474 . 1 1 153 153 GLY N N 15 108.607 0.066 . 1 . . . . 153 GLY N . 11493 1 475 . 1 1 154 154 ASN H H 1 8.418 0.003 . 1 . . . . 154 ASN HN . 11493 1 476 . 1 1 154 154 ASN C C 13 175.407 0.019 . 1 . . . . 154 ASN CO . 11493 1 477 . 1 1 154 154 ASN CA C 13 52.855 0.021 . 1 . . . . 154 ASN CA . 11493 1 478 . 1 1 154 154 ASN CB C 13 39.99 0.003 . 1 . . . . 154 ASN CB . 11493 1 479 . 1 1 154 154 ASN N N 15 114.194 0.043 . 1 . . . . 154 ASN N . 11493 1 480 . 1 1 155 155 ASP H H 1 8.093 0.002 . 1 . . . . 155 ASP HN . 11493 1 481 . 1 1 155 155 ASP C C 13 175.192 0 . 1 . . . . 155 ASP CO . 11493 1 482 . 1 1 155 155 ASP CA C 13 54.128 0 . 1 . . . . 155 ASP CA . 11493 1 483 . 1 1 155 155 ASP CB C 13 38.462 0 . 1 . . . . 155 ASP CB . 11493 1 484 . 1 1 155 155 ASP N N 15 121.26 0.06 . 1 . . . . 155 ASP N . 11493 1 485 . 1 1 156 156 PRO C C 13 176.407 0 . 1 . . . . 156 PRO CO . 11493 1 486 . 1 1 156 156 PRO CA C 13 66.718 0 . 1 . . . . 156 PRO CA . 11493 1 487 . 1 1 156 156 PRO CB C 13 32.638 0 . 1 . . . . 156 PRO CB . 11493 1 488 . 1 1 157 157 THR H H 1 7.509 0.002 . 1 . . . . 157 THR HN . 11493 1 489 . 1 1 157 157 THR CA C 13 60.441 0.046 . 1 . . . . 157 THR CA . 11493 1 490 . 1 1 157 157 THR CB C 13 68.124 0 . 1 . . . . 157 THR CB . 11493 1 491 . 1 1 157 157 THR N N 15 101.27 0.03 . 1 . . . . 157 THR N . 11493 1 492 . 1 1 158 158 SER H H 1 7.571 0.006 . 1 . . . . 158 SER HN . 11493 1 493 . 1 1 158 158 SER C C 13 173.82 0.007 . 1 . . . . 158 SER CO . 11493 1 494 . 1 1 158 158 SER CA C 13 58.285 0.026 . 1 . . . . 158 SER CA . 11493 1 495 . 1 1 158 158 SER CB C 13 64.459 0.003 . 1 . . . . 158 SER CB . 11493 1 496 . 1 1 158 158 SER N N 15 116.67 0.06 . 1 . . . . 158 SER N . 11493 1 497 . 1 1 159 159 PHE H H 1 8.946 0.001 . 1 . . . . 159 PHE HN . 11493 1 498 . 1 1 159 159 PHE CA C 13 62.099 0.077 . 1 . . . . 159 PHE CA . 11493 1 499 . 1 1 159 159 PHE N N 15 120.154 0.014 . 1 . . . . 159 PHE N . 11493 1 500 . 1 1 160 160 GLY H H 1 8.223 0.001 . 1 . . . . 160 GLY HN . 11493 1 501 . 1 1 160 160 GLY CA C 13 46.772 0.021 . 1 . . . . 160 GLY CA . 11493 1 502 . 1 1 160 160 GLY N N 15 104.131 0.016 . 1 . . . . 160 GLY N . 11493 1 503 . 1 1 161 161 GLY H H 1 6.996 0.005 . 1 . . . . 161 GLY HN . 11493 1 504 . 1 1 161 161 GLY N N 15 110.17 0.005 . 1 . . . . 161 GLY N . 11493 1 505 . 1 1 162 162 ILE H H 1 7.999 0.003 . 1 . . . . 162 ILE HN . 11493 1 506 . 1 1 162 162 ILE CA C 13 65.117 0.088 . 1 . . . . 162 ILE CA . 11493 1 507 . 1 1 162 162 ILE N N 15 125.758 0.01 . 1 . . . . 162 ILE N . 11493 1 508 . 1 1 163 163 ARG H H 1 7.745 0.002 . 1 . . . . 163 ARG HN . 11493 1 509 . 1 1 163 163 ARG CB C 13 30.252 0 . 1 . . . . 163 ARG CB . 11493 1 510 . 1 1 163 163 ARG N N 15 118.519 0 . 1 . . . . 163 ARG N . 11493 1 511 . 1 1 173 173 PRO C C 13 179.481 0 . 1 . . . . 173 PRO CO . 11493 1 512 . 1 1 173 173 PRO CA C 13 66.077 0 . 1 . . . . 173 PRO CA . 11493 1 513 . 1 1 173 173 PRO CB C 13 30.314 0 . 1 . . . . 173 PRO CB . 11493 1 514 . 1 1 174 174 ALA H H 1 7.551 0.003 . 1 . . . . 174 ALA HN . 11493 1 515 . 1 1 174 174 ALA CA C 13 54.816 0 . 1 . . . . 174 ALA CA . 11493 1 516 . 1 1 174 174 ALA CB C 13 17.543 0 . 1 . . . . 174 ALA CB . 11493 1 517 . 1 1 174 174 ALA N N 15 121.191 0.014 . 1 . . . . 174 ALA N . 11493 1 518 . 1 1 175 175 GLN H H 1 7.39 0.003 . 1 . . . . 175 GLN HN . 11493 1 519 . 1 1 175 175 GLN C C 13 175.768 0.009 . 1 . . . . 175 GLN CO . 11493 1 520 . 1 1 175 175 GLN CA C 13 54.91 0 . 1 . . . . 175 GLN CA . 11493 1 521 . 1 1 175 175 GLN CB C 13 29.55 0 . 1 . . . . 175 GLN CB . 11493 1 522 . 1 1 175 175 GLN N N 15 115.765 0.049 . 1 . . . . 175 GLN N . 11493 1 523 . 1 1 176 176 GLY H H 1 7.917 0 . 1 . . . . 176 GLY HN . 11493 1 524 . 1 1 176 176 GLY N N 15 107.671 0.03 . 1 . . . . 176 GLY N . 11493 1 525 . 1 1 177 177 GLY H H 1 8.173 0.003 . 1 . . . . 177 GLY HN . 11493 1 526 . 1 1 177 177 GLY CA C 13 43.582 0 . 1 . . . . 177 GLY CA . 11493 1 527 . 1 1 177 177 GLY N N 15 108.82 0.028 . 1 . . . . 177 GLY N . 11493 1 528 . 1 1 188 188 ASP H H 1 8.137 0.005 . 1 . . . . 188 ASP HN . 11493 1 529 . 1 1 188 188 ASP C C 13 178.879 0.013 . 1 . . . . 188 ASP CO . 11493 1 530 . 1 1 188 188 ASP CA C 13 57.466 0.166 . 1 . . . . 188 ASP CA . 11493 1 531 . 1 1 188 188 ASP CB C 13 39.401 0.063 . 1 . . . . 188 ASP CB . 11493 1 532 . 1 1 188 188 ASP N N 15 118.994 0.058 . 1 . . . . 188 ASP N . 11493 1 533 . 1 1 189 189 ALA H H 1 7.915 0.004 . 1 . . . . 189 ALA HN . 11493 1 534 . 1 1 189 189 ALA C C 13 179.643 0.003 . 1 . . . . 189 ALA CO . 11493 1 535 . 1 1 189 189 ALA CA C 13 54.159 0 . 1 . . . . 189 ALA CA . 11493 1 536 . 1 1 189 189 ALA CB C 13 17.916 0.007 . 1 . . . . 189 ALA CB . 11493 1 537 . 1 1 189 189 ALA N N 15 124.248 0.046 . 1 . . . . 189 ALA N . 11493 1 538 . 1 1 190 190 ARG H H 1 8.807 0.003 . 1 . . . . 190 ARG HN . 11493 1 539 . 1 1 190 190 ARG CA C 13 59.722 0.092 . 1 . . . . 190 ARG CA . 11493 1 540 . 1 1 190 190 ARG N N 15 122.729 0.011 . 1 . . . . 190 ARG N . 11493 1 541 . 1 1 191 191 LYS H H 1 8.715 0.002 . 1 . . . . 191 LYS HN . 11493 1 542 . 1 1 191 191 LYS C C 13 177.274 0.002 . 1 . . . . 191 LYS CO . 11493 1 543 . 1 1 191 191 LYS CA C 13 60.148 0.046 . 1 . . . . 191 LYS CA . 11493 1 544 . 1 1 191 191 LYS CB C 13 28.261 0 . 1 . . . . 191 LYS CB . 11493 1 545 . 1 1 191 191 LYS N N 15 121.035 0.003 . 1 . . . . 191 LYS N . 11493 1 546 . 1 1 192 192 ALA H H 1 7.777 0.004 . 1 . . . . 192 ALA HN . 11493 1 547 . 1 1 192 192 ALA C C 13 180.374 0.001 . 1 . . . . 192 ALA CO . 11493 1 548 . 1 1 192 192 ALA CA C 13 54.769 0.015 . 1 . . . . 192 ALA CA . 11493 1 549 . 1 1 192 192 ALA CB C 13 17.256 0.036 . 1 . . . . 192 ALA CB . 11493 1 550 . 1 1 192 192 ALA N N 15 118.556 0.06 . 1 . . . . 192 ALA N . 11493 1 551 . 1 1 193 193 ALA H H 1 7.574 0.003 . 1 . . . . 193 ALA HN . 11493 1 552 . 1 1 193 193 ALA C C 13 180.553 0.015 . 1 . . . . 193 ALA CO . 11493 1 553 . 1 1 193 193 ALA CA C 13 54.822 0.037 . 1 . . . . 193 ALA CA . 11493 1 554 . 1 1 193 193 ALA CB C 13 17.709 0.038 . 1 . . . . 193 ALA CB . 11493 1 555 . 1 1 193 193 ALA N N 15 120.833 0.031 . 1 . . . . 193 ALA N . 11493 1 556 . 1 1 194 194 MET H H 1 8.256 0.003 . 1 . . . . 194 MET HN . 11493 1 557 . 1 1 194 194 MET C C 13 177.377 0.011 . 1 . . . . 194 MET CO . 11493 1 558 . 1 1 194 194 MET CA C 13 60.082 0.065 . 1 . . . . 194 MET CA . 11493 1 559 . 1 1 194 194 MET CB C 13 29.595 0 . 1 . . . . 194 MET CB . 11493 1 560 . 1 1 194 194 MET N N 15 119.108 0.053 . 1 . . . . 194 MET N . 11493 1 561 . 1 1 195 195 LEU H H 1 7.613 0.004 . 1 . . . . 195 LEU HN . 11493 1 562 . 1 1 195 195 LEU C C 13 178.428 0.002 . 1 . . . . 195 LEU CO . 11493 1 563 . 1 1 195 195 LEU CA C 13 55.839 0.01 . 1 . . . . 195 LEU CA . 11493 1 564 . 1 1 195 195 LEU N N 15 115.841 0.028 . 1 . . . . 195 LEU N . 11493 1 565 . 1 1 196 196 THR H H 1 7.681 0.002 . 1 . . . . 196 THR HN . 11493 1 566 . 1 1 196 196 THR C C 13 175.118 0.024 . 1 . . . . 196 THR CO . 11493 1 567 . 1 1 196 196 THR CA C 13 64.692 0.007 . 1 . . . . 196 THR CA . 11493 1 568 . 1 1 196 196 THR CB C 13 69.272 0.05 . 1 . . . . 196 THR CB . 11493 1 569 . 1 1 196 196 THR N N 15 114.486 0.015 . 1 . . . . 196 THR N . 11493 1 570 . 1 1 197 197 GLU H H 1 7.89 0.005 . 1 . . . . 197 GLU HN . 11493 1 571 . 1 1 197 197 GLU C C 13 176.226 0.001 . 1 . . . . 197 GLU CO . 11493 1 572 . 1 1 197 197 GLU CA C 13 56.568 0.038 . 1 . . . . 197 GLU CA . 11493 1 573 . 1 1 197 197 GLU CB C 13 29.482 0.054 . 1 . . . . 197 GLU CB . 11493 1 574 . 1 1 197 197 GLU N N 15 121.222 0.04 . 1 . . . . 197 GLU N . 11493 1 575 . 1 1 198 198 ALA H H 1 8.216 0.002 . 1 . . . . 198 ALA HN . 11493 1 576 . 1 1 198 198 ALA C C 13 177.327 0.046 . 1 . . . . 198 ALA CO . 11493 1 577 . 1 1 198 198 ALA CA C 13 53.01 0.023 . 1 . . . . 198 ALA CA . 11493 1 578 . 1 1 198 198 ALA CB C 13 18.127 0.047 . 1 . . . . 198 ALA CB . 11493 1 579 . 1 1 198 198 ALA N N 15 123.971 0.045 . 1 . . . . 198 ALA N . 11493 1 580 . 1 1 199 199 ALA H H 1 8.155 0.001 . 1 . . . . 199 ALA HN . 11493 1 581 . 1 1 199 199 ALA C C 13 178.064 0.013 . 1 . . . . 199 ALA CO . 11493 1 582 . 1 1 199 199 ALA CA C 13 53.658 0.031 . 1 . . . . 199 ALA CA . 11493 1 583 . 1 1 199 199 ALA CB C 13 18.492 0.047 . 1 . . . . 199 ALA CB . 11493 1 584 . 1 1 199 199 ALA N N 15 121.005 0.072 . 1 . . . . 199 ALA N . 11493 1 585 . 1 1 200 200 HIS H H 1 8.179 0.003 . 1 . . . . 200 HIS HN . 11493 1 586 . 1 1 200 200 HIS C C 13 173.442 0 . 1 . . . . 200 HIS CO . 11493 1 587 . 1 1 200 200 HIS CA C 13 53.474 0.058 . 1 . . . . 200 HIS CA . 11493 1 588 . 1 1 200 200 HIS CB C 13 28.595 0.157 . 1 . . . . 200 HIS CB . 11493 1 589 . 1 1 200 200 HIS N N 15 114.254 0.029 . 1 . . . . 200 HIS N . 11493 1 590 . 1 1 201 201 ASP H H 1 7.655 0.003 . 1 . . . . 201 ASP HN . 11493 1 591 . 1 1 201 201 ASP C C 13 175.709 0.011 . 1 . . . . 201 ASP CO . 11493 1 592 . 1 1 201 201 ASP CA C 13 54.362 0.016 . 1 . . . . 201 ASP CA . 11493 1 593 . 1 1 201 201 ASP CB C 13 40.662 0.022 . 1 . . . . 201 ASP CB . 11493 1 594 . 1 1 201 201 ASP N N 15 118.71 0.045 . 1 . . . . 201 ASP N . 11493 1 595 . 1 1 202 202 ASP H H 1 8.106 0.004 . 1 . . . . 202 ASP HN . 11493 1 596 . 1 1 202 202 ASP C C 13 176.829 0.016 . 1 . . . . 202 ASP CO . 11493 1 597 . 1 1 202 202 ASP CA C 13 54.445 0.037 . 1 . . . . 202 ASP CA . 11493 1 598 . 1 1 202 202 ASP CB C 13 43.379 0.046 . 1 . . . . 202 ASP CB . 11493 1 599 . 1 1 202 202 ASP N N 15 119.964 0 . 1 . . . . 202 ASP N . 11493 1 600 . 1 1 203 203 THR H H 1 8.588 0.008 . 1 . . . . 203 THR HN . 11493 1 601 . 1 1 203 203 THR N N 15 114.216 0.022 . 1 . . . . 203 THR N . 11493 1 602 . 1 1 209 209 GLU H H 1 7.591 0.003 . 1 . . . . 209 GLU HN . 11493 1 603 . 1 1 209 209 GLU C C 13 177.9 0.011 . 1 . . . . 209 GLU CO . 11493 1 604 . 1 1 209 209 GLU CA C 13 58.114 0.095 . 1 . . . . 209 GLU CA . 11493 1 605 . 1 1 209 209 GLU CB C 13 32.361 0.082 . 1 . . . . 209 GLU CB . 11493 1 606 . 1 1 209 209 GLU N N 15 118.807 0 . 1 . . . . 209 GLU N . 11493 1 607 . 1 1 210 210 GLN H H 1 7.383 0.002 . 1 . . . . 210 GLN HN . 11493 1 608 . 1 1 210 210 GLN C C 13 176.205 0.001 . 1 . . . . 210 GLN CO . 11493 1 609 . 1 1 210 210 GLN CA C 13 56.447 0.028 . 1 . . . . 210 GLN CA . 11493 1 610 . 1 1 210 210 GLN CB C 13 33.476 0.032 . 1 . . . . 210 GLN CB . 11493 1 611 . 1 1 210 210 GLN N N 15 118.179 0.037 . 1 . . . . 210 GLN N . 11493 1 612 . 1 1 211 211 ARG H H 1 8.385 0.003 . 1 . . . . 211 ARG HN . 11493 1 613 . 1 1 211 211 ARG C C 13 173.716 0.013 . 1 . . . . 211 ARG CO . 11493 1 614 . 1 1 211 211 ARG CA C 13 51.118 0.014 . 1 . . . . 211 ARG CA . 11493 1 615 . 1 1 211 211 ARG CB C 13 22.328 0.079 . 1 . . . . 211 ARG CB . 11493 1 616 . 1 1 211 211 ARG N N 15 123.211 0.044 . 1 . . . . 211 ARG N . 11493 1 617 . 1 1 212 212 VAL H H 1 7.916 0.003 . 1 . . . . 212 VAL HN . 11493 1 618 . 1 1 212 212 VAL CA C 13 54.963 0.017 . 1 . . . . 212 VAL CA . 11493 1 619 . 1 1 212 212 VAL CB C 13 31.526 0.04 . 1 . . . . 212 VAL CB . 11493 1 620 . 1 1 212 212 VAL N N 15 116.722 0.015 . 1 . . . . 212 VAL N . 11493 1 621 . 1 1 213 213 PHE H H 1 7.565 0.004 . 1 . . . . 213 PHE HN . 11493 1 622 . 1 1 213 213 PHE C C 13 177.769 0 . 1 . . . . 213 PHE CO . 11493 1 623 . 1 1 213 213 PHE CA C 13 56.412 0.005 . 1 . . . . 213 PHE CA . 11493 1 624 . 1 1 213 213 PHE CB C 13 37.218 0.019 . 1 . . . . 213 PHE CB . 11493 1 625 . 1 1 213 213 PHE N N 15 120.161 0.025 . 1 . . . . 213 PHE N . 11493 1 626 . 1 1 214 214 LEU H H 1 7.848 0.003 . 1 . . . . 214 LEU HN . 11493 1 627 . 1 1 214 214 LEU C C 13 180.25 0.015 . 1 . . . . 214 LEU CO . 11493 1 628 . 1 1 214 214 LEU CA C 13 57.578 0.001 . 1 . . . . 214 LEU CA . 11493 1 629 . 1 1 214 214 LEU N N 15 118.868 0.044 . 1 . . . . 214 LEU N . 11493 1 630 . 1 1 215 215 LYS H H 1 8.703 0.003 . 1 . . . . 215 LYS HN . 11493 1 631 . 1 1 215 215 LYS C C 13 177.634 0.005 . 1 . . . . 215 LYS CO . 11493 1 632 . 1 1 215 215 LYS CA C 13 59.066 0.051 . 1 . . . . 215 LYS CA . 11493 1 633 . 1 1 215 215 LYS CB C 13 31.959 0.022 . 1 . . . . 215 LYS CB . 11493 1 634 . 1 1 215 215 LYS N N 15 122.621 0.02 . 1 . . . . 215 LYS N . 11493 1 635 . 1 1 216 216 ALA H H 1 7.493 0.004 . 1 . . . . 216 ALA HN . 11493 1 636 . 1 1 216 216 ALA C C 13 177.902 0.035 . 1 . . . . 216 ALA CO . 11493 1 637 . 1 1 216 216 ALA CA C 13 52.326 0.052 . 1 . . . . 216 ALA CA . 11493 1 638 . 1 1 216 216 ALA CB C 13 18.449 0.028 . 1 . . . . 216 ALA CB . 11493 1 639 . 1 1 216 216 ALA N N 15 117.864 0.056 . 1 . . . . 216 ALA N . 11493 1 640 . 1 1 217 217 GLY H H 1 8.137 0.003 . 1 . . . . 217 GLY HN . 11493 1 641 . 1 1 217 217 GLY CA C 13 45.064 0.076 . 1 . . . . 217 GLY CA . 11493 1 642 . 1 1 217 217 GLY N N 15 107.699 0.059 . 1 . . . . 217 GLY N . 11493 1 643 . 1 1 218 218 ASN H H 1 8.151 0.004 . 1 . . . . 218 ASN HN . 11493 1 644 . 1 1 218 218 ASN C C 13 176.171 0.012 . 1 . . . . 218 ASN CO . 11493 1 645 . 1 1 218 218 ASN CB C 13 35.532 0.082 . 1 . . . . 218 ASN CB . 11493 1 646 . 1 1 218 218 ASN N N 15 121.009 0.059 . 1 . . . . 218 ASN N . 11493 1 647 . 1 1 219 219 LEU H H 1 7.839 0.004 . 1 . . . . 219 LEU HN . 11493 1 648 . 1 1 219 219 LEU C C 13 177.905 0.003 . 1 . . . . 219 LEU CO . 11493 1 649 . 1 1 219 219 LEU CA C 13 57.171 0.093 . 1 . . . . 219 LEU CA . 11493 1 650 . 1 1 219 219 LEU N N 15 120.229 0.038 . 1 . . . . 219 LEU N . 11493 1 651 . 1 1 220 220 ASP H H 1 8.825 0.004 . 1 . . . . 220 ASP HN . 11493 1 652 . 1 1 220 220 ASP C C 13 173.471 0.028 . 1 . . . . 220 ASP CO . 11493 1 653 . 1 1 220 220 ASP CA C 13 54.246 0.015 . 1 . . . . 220 ASP CA . 11493 1 654 . 1 1 220 220 ASP CB C 13 41.134 0.047 . 1 . . . . 220 ASP CB . 11493 1 655 . 1 1 220 220 ASP N N 15 116.211 0.015 . 1 . . . . 220 ASP N . 11493 1 656 . 1 1 221 221 LEU H H 1 7.587 0.005 . 1 . . . . 221 LEU HN . 11493 1 657 . 1 1 221 221 LEU C C 13 173.458 0.021 . 1 . . . . 221 LEU CO . 11493 1 658 . 1 1 221 221 LEU CA C 13 54.218 0.011 . 1 . . . . 221 LEU CA . 11493 1 659 . 1 1 221 221 LEU CB C 13 42.591 0.095 . 1 . . . . 221 LEU CB . 11493 1 660 . 1 1 221 221 LEU N N 15 123.273 0.006 . 1 . . . . 221 LEU N . 11493 1 661 . 1 1 222 222 ASN H H 1 8.722 0.003 . 1 . . . . 222 ASN HN . 11493 1 662 . 1 1 222 222 ASN C C 13 174.306 0 . 1 . . . . 222 ASN CO . 11493 1 663 . 1 1 222 222 ASN CA C 13 49.849 0 . 1 . . . . 222 ASN CA . 11493 1 664 . 1 1 222 222 ASN CB C 13 38.897 0 . 1 . . . . 222 ASN CB . 11493 1 665 . 1 1 222 222 ASN N N 15 116.956 0.013 . 1 . . . . 222 ASN N . 11493 1 666 . 1 1 224 224 PRO C C 13 175.841 0 . 1 . . . . 224 PRO CO . 11493 1 667 . 1 1 224 224 PRO CB C 13 34.734 0 . 1 . . . . 224 PRO CB . 11493 1 668 . 1 1 225 225 LEU H H 1 9.032 0.004 . 1 . . . . 225 LEU HN . 11493 1 669 . 1 1 225 225 LEU CA C 13 53.371 0.014 . 1 . . . . 225 LEU CA . 11493 1 670 . 1 1 225 225 LEU N N 15 123.794 0.046 . 1 . . . . 225 LEU N . 11493 1 671 . 1 1 226 226 LYS H H 1 8.569 0.009 . 1 . . . . 226 LYS HN . 11493 1 672 . 1 1 226 226 LYS C C 13 175.251 0.026 . 1 . . . . 226 LYS CO . 11493 1 673 . 1 1 226 226 LYS CA C 13 55.594 0.058 . 1 . . . . 226 LYS CA . 11493 1 674 . 1 1 226 226 LYS N N 15 122.36 0.024 . 1 . . . . 226 LYS N . 11493 1 675 . 1 1 227 227 TRP H H 1 8.666 0.003 . 1 . . . . 227 TRP HN . 11493 1 676 . 1 1 227 227 TRP C C 13 172.357 0.012 . 1 . . . . 227 TRP CO . 11493 1 677 . 1 1 227 227 TRP CA C 13 56.706 0.058 . 1 . . . . 227 TRP CA . 11493 1 678 . 1 1 227 227 TRP CB C 13 32.177 0 . 1 . . . . 227 TRP CB . 11493 1 679 . 1 1 227 227 TRP N N 15 125.259 0.04 . 1 . . . . 227 TRP N . 11493 1 680 . 1 1 228 228 LYS H H 1 7.761 0.005 . 1 . . . . 228 LYS HN . 11493 1 681 . 1 1 228 228 LYS C C 13 178.322 0.037 . 1 . . . . 228 LYS CO . 11493 1 682 . 1 1 228 228 LYS CA C 13 54.721 0 . 1 . . . . 228 LYS CA . 11493 1 683 . 1 1 228 228 LYS CB C 13 38.334 0 . 1 . . . . 228 LYS CB . 11493 1 684 . 1 1 228 228 LYS N N 15 115.546 0.047 . 1 . . . . 228 LYS N . 11493 1 685 . 1 1 229 229 THR H H 1 8.364 0.004 . 1 . . . . 229 THR HN . 11493 1 686 . 1 1 229 229 THR C C 13 174.319 0.024 . 1 . . . . 229 THR CO . 11493 1 687 . 1 1 229 229 THR CA C 13 59.971 0.048 . 1 . . . . 229 THR CA . 11493 1 688 . 1 1 229 229 THR CB C 13 70.392 0.078 . 1 . . . . 229 THR CB . 11493 1 689 . 1 1 229 229 THR N N 15 111.446 0.084 . 1 . . . . 229 THR N . 11493 1 690 . 1 1 230 230 TYR H H 1 8.897 0.006 . 1 . . . . 230 TYR HN . 11493 1 691 . 1 1 230 230 TYR C C 13 175.463 0.001 . 1 . . . . 230 TYR CO . 11493 1 692 . 1 1 230 230 TYR N N 15 121.871 0.029 . 1 . . . . 230 TYR N . 11493 1 693 . 1 1 231 231 GLY H H 1 8.265 0.002 . 1 . . . . 231 GLY HN . 11493 1 694 . 1 1 231 231 GLY CA C 13 45.092 0.062 . 1 . . . . 231 GLY CA . 11493 1 695 . 1 1 231 231 GLY N N 15 103.739 0.021 . 1 . . . . 231 GLY N . 11493 1 696 . 1 1 232 232 ASP H H 1 8.581 0.003 . 1 . . . . 232 ASP HN . 11493 1 697 . 1 1 232 232 ASP C C 13 172.737 0 . 1 . . . . 232 ASP CO . 11493 1 698 . 1 1 232 232 ASP CA C 13 51.425 0 . 1 . . . . 232 ASP CA . 11493 1 699 . 1 1 232 232 ASP CB C 13 40.248 0 . 1 . . . . 232 ASP CB . 11493 1 700 . 1 1 232 232 ASP N N 15 124.27 0.1 . 1 . . . . 232 ASP N . 11493 1 701 . 1 1 233 233 PRO CA C 13 61.583 0 . 1 . . . . 233 PRO CA . 11493 1 702 . 1 1 233 233 PRO CB C 13 32.419 0 . 1 . . . . 233 PRO CB . 11493 1 703 . 1 1 234 234 TYR H H 1 8.271 0.002 . 1 . . . . 234 TYR HN . 11493 1 704 . 1 1 234 234 TYR C C 13 174.3 0 . 1 . . . . 234 TYR CO . 11493 1 705 . 1 1 234 234 TYR CA C 13 57.389 0.206 . 1 . . . . 234 TYR CA . 11493 1 706 . 1 1 234 234 TYR CB C 13 42.463 0 . 1 . . . . 234 TYR CB . 11493 1 707 . 1 1 234 234 TYR N N 15 119.054 0.006 . 1 . . . . 234 TYR N . 11493 1 708 . 1 1 235 235 VAL H H 1 7.981 0.004 . 1 . . . . 235 VAL HN . 11493 1 709 . 1 1 235 235 VAL C C 13 174.713 0.014 . 1 . . . . 235 VAL CO . 11493 1 710 . 1 1 235 235 VAL CA C 13 59.894 0.03 . 1 . . . . 235 VAL CA . 11493 1 711 . 1 1 235 235 VAL CB C 13 35.717 0.019 . 1 . . . . 235 VAL CB . 11493 1 712 . 1 1 235 235 VAL N N 15 117.656 0.063 . 1 . . . . 235 VAL N . 11493 1 713 . 1 1 236 236 ILE H H 1 8.905 0.002 . 1 . . . . 236 ILE HN . 11493 1 714 . 1 1 236 236 ILE C C 13 176.024 0.011 . 1 . . . . 236 ILE CO . 11493 1 715 . 1 1 236 236 ILE CA C 13 61.732 0.024 . 1 . . . . 236 ILE CA . 11493 1 716 . 1 1 236 236 ILE CB C 13 42.353 0.016 . 1 . . . . 236 ILE CB . 11493 1 717 . 1 1 236 236 ILE N N 15 124.394 0.005 . 1 . . . . 236 ILE N . 11493 1 718 . 1 1 237 237 ASN H H 1 9.354 0.004 . 1 . . . . 237 ASN HN . 11493 1 719 . 1 1 237 237 ASN C C 13 174.275 0.009 . 1 . . . . 237 ASN CO . 11493 1 720 . 1 1 237 237 ASN CA C 13 55.325 0.063 . 1 . . . . 237 ASN CA . 11493 1 721 . 1 1 237 237 ASN CB C 13 40.217 0.099 . 1 . . . . 237 ASN CB . 11493 1 722 . 1 1 237 237 ASN N N 15 126.016 0.026 . 1 . . . . 237 ASN N . 11493 1 723 . 1 1 238 238 SER H H 1 7.587 0.003 . 1 . . . . 238 SER HN . 11493 1 724 . 1 1 238 238 SER C C 13 176.868 0 . 1 . . . . 238 SER CO . 11493 1 725 . 1 1 238 238 SER CA C 13 59.456 0 . 1 . . . . 238 SER CA . 11493 1 726 . 1 1 238 238 SER CB C 13 64.588 0 . 1 . . . . 238 SER CB . 11493 1 727 . 1 1 238 238 SER N N 15 116.767 0.051 . 1 . . . . 238 SER N . 11493 1 stop_ save_