data_11494 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11494 _Entry.Title ; NMR chemical shift of E22A mutant 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 . . . 11494 2 Ryszard Brzezinski . . . 11494 3 Tamo Fukamizo . . . 11494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 11494 '15N chemical shifts' 172 11494 '1H chemical shifts' 172 11494 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 . 11494 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 11494 _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 . . . 11494 1 2 Ryszard Brzezinski . . . 11494 1 3 Tamo Fukamizo . . . 11494 1 stop_ save_ save_Citation_2 _Citation.Sf_category citations _Citation.Sf_framecode Citation_2 _Citation.Entry_ID 11494 _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 . . . 11494 2 2 Ryszard Brzezinski . . . 11494 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11494 _Assembly.ID 1 _Assembly.Name 'E22A mutant of Streptomyces 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 E22A' 1 $CsnN174_E22A A . yes native no no . . . 11494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CsnN174_E22A _Entity.Sf_category entity _Entity.Sf_framecode CsnN174_E22A _Entity.Entry_ID 11494 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CsnN174_E22A _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 AANSSLDWKAQYKYIEDIGD 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 11493 . CsnN174 . . . . . 100.00 238 99.58 99.58 3.16e-173 . . . . 11494 1 2 no PDB 1CHK . "Streptomyces N174 Chitosanase Ph5.5 298k" . . . . . 100.00 238 99.58 99.58 3.16e-173 . . . . 11494 1 3 no GB AAA19865 . "chitosanase precursor [Streptomyces sp.]" . . . . . 100.00 278 99.16 99.16 3.23e-173 . . . . 11494 1 4 no SP P33665 . "RecName: Full=Chitosanase; Flags: Precursor" . . . . . 100.00 278 99.16 99.16 3.23e-173 . . . . 11494 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 . 11494 1 2 2 GLY . 11494 1 3 3 ALA . 11494 1 4 4 GLY . 11494 1 5 5 LEU . 11494 1 6 6 ASP . 11494 1 7 7 ASP . 11494 1 8 8 PRO . 11494 1 9 9 HIS . 11494 1 10 10 LYS . 11494 1 11 11 LYS . 11494 1 12 12 GLU . 11494 1 13 13 ILE . 11494 1 14 14 ALA . 11494 1 15 15 MET . 11494 1 16 16 GLU . 11494 1 17 17 LEU . 11494 1 18 18 VAL . 11494 1 19 19 SER . 11494 1 20 20 SER . 11494 1 21 21 ALA . 11494 1 22 22 ALA . 11494 1 23 23 ASN . 11494 1 24 24 SER . 11494 1 25 25 SER . 11494 1 26 26 LEU . 11494 1 27 27 ASP . 11494 1 28 28 TRP . 11494 1 29 29 LYS . 11494 1 30 30 ALA . 11494 1 31 31 GLN . 11494 1 32 32 TYR . 11494 1 33 33 LYS . 11494 1 34 34 TYR . 11494 1 35 35 ILE . 11494 1 36 36 GLU . 11494 1 37 37 ASP . 11494 1 38 38 ILE . 11494 1 39 39 GLY . 11494 1 40 40 ASP . 11494 1 41 41 GLY . 11494 1 42 42 ARG . 11494 1 43 43 GLY . 11494 1 44 44 TYR . 11494 1 45 45 THR . 11494 1 46 46 GLY . 11494 1 47 47 GLY . 11494 1 48 48 ILE . 11494 1 49 49 ILE . 11494 1 50 50 GLY . 11494 1 51 51 PHE . 11494 1 52 52 CYS . 11494 1 53 53 SER . 11494 1 54 54 GLY . 11494 1 55 55 THR . 11494 1 56 56 GLY . 11494 1 57 57 ASP . 11494 1 58 58 MET . 11494 1 59 59 LEU . 11494 1 60 60 GLU . 11494 1 61 61 LEU . 11494 1 62 62 VAL . 11494 1 63 63 GLN . 11494 1 64 64 HIS . 11494 1 65 65 TYR . 11494 1 66 66 THR . 11494 1 67 67 ASP . 11494 1 68 68 LEU . 11494 1 69 69 GLU . 11494 1 70 70 PRO . 11494 1 71 71 GLY . 11494 1 72 72 ASN . 11494 1 73 73 ILE . 11494 1 74 74 LEU . 11494 1 75 75 ALA . 11494 1 76 76 LYS . 11494 1 77 77 TYR . 11494 1 78 78 LEU . 11494 1 79 79 PRO . 11494 1 80 80 ALA . 11494 1 81 81 LEU . 11494 1 82 82 LYS . 11494 1 83 83 LYS . 11494 1 84 84 VAL . 11494 1 85 85 ASN . 11494 1 86 86 GLY . 11494 1 87 87 SER . 11494 1 88 88 ALA . 11494 1 89 89 SER . 11494 1 90 90 HIS . 11494 1 91 91 SER . 11494 1 92 92 GLY . 11494 1 93 93 LEU . 11494 1 94 94 GLY . 11494 1 95 95 THR . 11494 1 96 96 PRO . 11494 1 97 97 PHE . 11494 1 98 98 THR . 11494 1 99 99 LYS . 11494 1 100 100 ASP . 11494 1 101 101 TRP . 11494 1 102 102 ALA . 11494 1 103 103 THR . 11494 1 104 104 ALA . 11494 1 105 105 ALA . 11494 1 106 106 LYS . 11494 1 107 107 ASP . 11494 1 108 108 THR . 11494 1 109 109 VAL . 11494 1 110 110 PHE . 11494 1 111 111 GLN . 11494 1 112 112 GLN . 11494 1 113 113 ALA . 11494 1 114 114 GLN . 11494 1 115 115 ASN . 11494 1 116 116 ASP . 11494 1 117 117 GLU . 11494 1 118 118 ARG . 11494 1 119 119 ASP . 11494 1 120 120 ARG . 11494 1 121 121 VAL . 11494 1 122 122 TYR . 11494 1 123 123 PHE . 11494 1 124 124 ASP . 11494 1 125 125 PRO . 11494 1 126 126 ALA . 11494 1 127 127 VAL . 11494 1 128 128 SER . 11494 1 129 129 GLN . 11494 1 130 130 ALA . 11494 1 131 131 LYS . 11494 1 132 132 ALA . 11494 1 133 133 ASP . 11494 1 134 134 GLY . 11494 1 135 135 LEU . 11494 1 136 136 ARG . 11494 1 137 137 ALA . 11494 1 138 138 LEU . 11494 1 139 139 GLY . 11494 1 140 140 GLN . 11494 1 141 141 PHE . 11494 1 142 142 ALA . 11494 1 143 143 TYR . 11494 1 144 144 TYR . 11494 1 145 145 ASP . 11494 1 146 146 ALA . 11494 1 147 147 ILE . 11494 1 148 148 VAL . 11494 1 149 149 MET . 11494 1 150 150 HIS . 11494 1 151 151 GLY . 11494 1 152 152 PRO . 11494 1 153 153 GLY . 11494 1 154 154 ASN . 11494 1 155 155 ASP . 11494 1 156 156 PRO . 11494 1 157 157 THR . 11494 1 158 158 SER . 11494 1 159 159 PHE . 11494 1 160 160 GLY . 11494 1 161 161 GLY . 11494 1 162 162 ILE . 11494 1 163 163 ARG . 11494 1 164 164 LYS . 11494 1 165 165 THR . 11494 1 166 166 ALA . 11494 1 167 167 MET . 11494 1 168 168 LYS . 11494 1 169 169 LYS . 11494 1 170 170 ALA . 11494 1 171 171 ARG . 11494 1 172 172 THR . 11494 1 173 173 PRO . 11494 1 174 174 ALA . 11494 1 175 175 GLN . 11494 1 176 176 GLY . 11494 1 177 177 GLY . 11494 1 178 178 ASP . 11494 1 179 179 GLU . 11494 1 180 180 THR . 11494 1 181 181 THR . 11494 1 182 182 TYR . 11494 1 183 183 LEU . 11494 1 184 184 ASN . 11494 1 185 185 GLY . 11494 1 186 186 PHE . 11494 1 187 187 LEU . 11494 1 188 188 ASP . 11494 1 189 189 ALA . 11494 1 190 190 ARG . 11494 1 191 191 LYS . 11494 1 192 192 ALA . 11494 1 193 193 ALA . 11494 1 194 194 MET . 11494 1 195 195 LEU . 11494 1 196 196 THR . 11494 1 197 197 GLU . 11494 1 198 198 ALA . 11494 1 199 199 ALA . 11494 1 200 200 HIS . 11494 1 201 201 ASP . 11494 1 202 202 ASP . 11494 1 203 203 THR . 11494 1 204 204 SER . 11494 1 205 205 ARG . 11494 1 206 206 VAL . 11494 1 207 207 ASP . 11494 1 208 208 THR . 11494 1 209 209 GLU . 11494 1 210 210 GLN . 11494 1 211 211 ARG . 11494 1 212 212 VAL . 11494 1 213 213 PHE . 11494 1 214 214 LEU . 11494 1 215 215 LYS . 11494 1 216 216 ALA . 11494 1 217 217 GLY . 11494 1 218 218 ASN . 11494 1 219 219 LEU . 11494 1 220 220 ASP . 11494 1 221 221 LEU . 11494 1 222 222 ASN . 11494 1 223 223 PRO . 11494 1 224 224 PRO . 11494 1 225 225 LEU . 11494 1 226 226 LYS . 11494 1 227 227 TRP . 11494 1 228 228 LYS . 11494 1 229 229 THR . 11494 1 230 230 TYR . 11494 1 231 231 GLY . 11494 1 232 232 ASP . 11494 1 233 233 PRO . 11494 1 234 234 TYR . 11494 1 235 235 VAL . 11494 1 236 236 ILE . 11494 1 237 237 ASN . 11494 1 238 238 SER . 11494 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 11494 1 . GLY 2 2 11494 1 . ALA 3 3 11494 1 . GLY 4 4 11494 1 . LEU 5 5 11494 1 . ASP 6 6 11494 1 . ASP 7 7 11494 1 . PRO 8 8 11494 1 . HIS 9 9 11494 1 . LYS 10 10 11494 1 . LYS 11 11 11494 1 . GLU 12 12 11494 1 . ILE 13 13 11494 1 . ALA 14 14 11494 1 . MET 15 15 11494 1 . GLU 16 16 11494 1 . LEU 17 17 11494 1 . VAL 18 18 11494 1 . SER 19 19 11494 1 . SER 20 20 11494 1 . ALA 21 21 11494 1 . ALA 22 22 11494 1 . ASN 23 23 11494 1 . SER 24 24 11494 1 . SER 25 25 11494 1 . LEU 26 26 11494 1 . ASP 27 27 11494 1 . TRP 28 28 11494 1 . LYS 29 29 11494 1 . ALA 30 30 11494 1 . GLN 31 31 11494 1 . TYR 32 32 11494 1 . LYS 33 33 11494 1 . TYR 34 34 11494 1 . ILE 35 35 11494 1 . GLU 36 36 11494 1 . ASP 37 37 11494 1 . ILE 38 38 11494 1 . GLY 39 39 11494 1 . ASP 40 40 11494 1 . GLY 41 41 11494 1 . ARG 42 42 11494 1 . GLY 43 43 11494 1 . TYR 44 44 11494 1 . THR 45 45 11494 1 . GLY 46 46 11494 1 . GLY 47 47 11494 1 . ILE 48 48 11494 1 . ILE 49 49 11494 1 . GLY 50 50 11494 1 . PHE 51 51 11494 1 . CYS 52 52 11494 1 . SER 53 53 11494 1 . GLY 54 54 11494 1 . THR 55 55 11494 1 . GLY 56 56 11494 1 . ASP 57 57 11494 1 . MET 58 58 11494 1 . LEU 59 59 11494 1 . GLU 60 60 11494 1 . LEU 61 61 11494 1 . VAL 62 62 11494 1 . GLN 63 63 11494 1 . HIS 64 64 11494 1 . TYR 65 65 11494 1 . THR 66 66 11494 1 . ASP 67 67 11494 1 . LEU 68 68 11494 1 . GLU 69 69 11494 1 . PRO 70 70 11494 1 . GLY 71 71 11494 1 . ASN 72 72 11494 1 . ILE 73 73 11494 1 . LEU 74 74 11494 1 . ALA 75 75 11494 1 . LYS 76 76 11494 1 . TYR 77 77 11494 1 . LEU 78 78 11494 1 . PRO 79 79 11494 1 . ALA 80 80 11494 1 . LEU 81 81 11494 1 . LYS 82 82 11494 1 . LYS 83 83 11494 1 . VAL 84 84 11494 1 . ASN 85 85 11494 1 . GLY 86 86 11494 1 . SER 87 87 11494 1 . ALA 88 88 11494 1 . SER 89 89 11494 1 . HIS 90 90 11494 1 . SER 91 91 11494 1 . GLY 92 92 11494 1 . LEU 93 93 11494 1 . GLY 94 94 11494 1 . THR 95 95 11494 1 . PRO 96 96 11494 1 . PHE 97 97 11494 1 . THR 98 98 11494 1 . LYS 99 99 11494 1 . ASP 100 100 11494 1 . TRP 101 101 11494 1 . ALA 102 102 11494 1 . THR 103 103 11494 1 . ALA 104 104 11494 1 . ALA 105 105 11494 1 . LYS 106 106 11494 1 . ASP 107 107 11494 1 . THR 108 108 11494 1 . VAL 109 109 11494 1 . PHE 110 110 11494 1 . GLN 111 111 11494 1 . GLN 112 112 11494 1 . ALA 113 113 11494 1 . GLN 114 114 11494 1 . ASN 115 115 11494 1 . ASP 116 116 11494 1 . GLU 117 117 11494 1 . ARG 118 118 11494 1 . ASP 119 119 11494 1 . ARG 120 120 11494 1 . VAL 121 121 11494 1 . TYR 122 122 11494 1 . PHE 123 123 11494 1 . ASP 124 124 11494 1 . PRO 125 125 11494 1 . ALA 126 126 11494 1 . VAL 127 127 11494 1 . SER 128 128 11494 1 . GLN 129 129 11494 1 . ALA 130 130 11494 1 . LYS 131 131 11494 1 . ALA 132 132 11494 1 . ASP 133 133 11494 1 . GLY 134 134 11494 1 . LEU 135 135 11494 1 . ARG 136 136 11494 1 . ALA 137 137 11494 1 . LEU 138 138 11494 1 . GLY 139 139 11494 1 . GLN 140 140 11494 1 . PHE 141 141 11494 1 . ALA 142 142 11494 1 . TYR 143 143 11494 1 . TYR 144 144 11494 1 . ASP 145 145 11494 1 . ALA 146 146 11494 1 . ILE 147 147 11494 1 . VAL 148 148 11494 1 . MET 149 149 11494 1 . HIS 150 150 11494 1 . GLY 151 151 11494 1 . PRO 152 152 11494 1 . GLY 153 153 11494 1 . ASN 154 154 11494 1 . ASP 155 155 11494 1 . PRO 156 156 11494 1 . THR 157 157 11494 1 . SER 158 158 11494 1 . PHE 159 159 11494 1 . GLY 160 160 11494 1 . GLY 161 161 11494 1 . ILE 162 162 11494 1 . ARG 163 163 11494 1 . LYS 164 164 11494 1 . THR 165 165 11494 1 . ALA 166 166 11494 1 . MET 167 167 11494 1 . LYS 168 168 11494 1 . LYS 169 169 11494 1 . ALA 170 170 11494 1 . ARG 171 171 11494 1 . THR 172 172 11494 1 . PRO 173 173 11494 1 . ALA 174 174 11494 1 . GLN 175 175 11494 1 . GLY 176 176 11494 1 . GLY 177 177 11494 1 . ASP 178 178 11494 1 . GLU 179 179 11494 1 . THR 180 180 11494 1 . THR 181 181 11494 1 . TYR 182 182 11494 1 . LEU 183 183 11494 1 . ASN 184 184 11494 1 . GLY 185 185 11494 1 . PHE 186 186 11494 1 . LEU 187 187 11494 1 . ASP 188 188 11494 1 . ALA 189 189 11494 1 . ARG 190 190 11494 1 . LYS 191 191 11494 1 . ALA 192 192 11494 1 . ALA 193 193 11494 1 . MET 194 194 11494 1 . LEU 195 195 11494 1 . THR 196 196 11494 1 . GLU 197 197 11494 1 . ALA 198 198 11494 1 . ALA 199 199 11494 1 . HIS 200 200 11494 1 . ASP 201 201 11494 1 . ASP 202 202 11494 1 . THR 203 203 11494 1 . SER 204 204 11494 1 . ARG 205 205 11494 1 . VAL 206 206 11494 1 . ASP 207 207 11494 1 . THR 208 208 11494 1 . GLU 209 209 11494 1 . GLN 210 210 11494 1 . ARG 211 211 11494 1 . VAL 212 212 11494 1 . PHE 213 213 11494 1 . LEU 214 214 11494 1 . LYS 215 215 11494 1 . ALA 216 216 11494 1 . GLY 217 217 11494 1 . ASN 218 218 11494 1 . LEU 219 219 11494 1 . ASP 220 220 11494 1 . LEU 221 221 11494 1 . ASN 222 222 11494 1 . PRO 223 223 11494 1 . PRO 224 224 11494 1 . LEU 225 225 11494 1 . LYS 226 226 11494 1 . TRP 227 227 11494 1 . LYS 228 228 11494 1 . THR 229 229 11494 1 . TYR 230 230 11494 1 . GLY 231 231 11494 1 . ASP 232 232 11494 1 . PRO 233 233 11494 1 . TYR 234 234 11494 1 . VAL 235 235 11494 1 . ILE 236 236 11494 1 . ASN 237 237 11494 1 . SER 238 238 11494 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 11494 _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_E22A . 1931 organism . 'Streptomyces sp.' 'Streptomyces sp.' . . Bacteria . Streptomyces sp. N174 . . . . . . . . . . . . . . . . . . . . 11494 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 11494 _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_E22A . 'recombinant technology' 'Streptomyces lividans' 'Streptomyces lividans' . 1916 Streptomyces lividans TK24 . . . . . . . . . . . . . . . pFD666 . . . . . . 11494 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11494 _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 'CsnN174 E22A' '[U-13C; U-15N]' . . 1 $CsnN174_E22A . protein 0.1 . . mM . . . . 11494 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 11494 1 3 D2O '[U-99% 2H]' . . . . . solvent 5 . . % . . . . 11494 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 11494 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 11494 _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 11494 1 pressure 1 . atm 11494 1 temperature 300 . K 11494 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11494 _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 . . 11494 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11494 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 11494 _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 11494 _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 . . . 11494 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 11494 _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 . . . . . . . . . . . . . . . . 11494 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11494 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11494 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11494 1 5 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11494 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11494 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11494 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 11494 _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 . . . . . . . . . 11494 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11494 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11494 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 11494 _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' . . . 11494 1 2 '3D HNCO' . . . 11494 1 3 '3D HNCACO' . . . 11494 1 4 '3D HNCA' . . . 11494 1 5 '3D HNCOCA' . . . 11494 1 6 '3D HNCACB' . . . 11494 1 7 '3D CBCA(CO)NH' . . . 11494 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 . 11494 1 2 . 1 1 2 2 GLY C C 13 173.265 0.004 . 1 . . . . 2 GLY CO . 11494 1 3 . 1 1 2 2 GLY CA C 13 44.714 0.015 . 1 . . . . 2 GLY CA . 11494 1 4 . 1 1 2 2 GLY N N 15 108.305 0.032 . 1 . . . . 2 GLY N . 11494 1 5 . 1 1 3 3 ALA H H 1 8.499 0.002 . 1 . . . . 3 ALA HN . 11494 1 6 . 1 1 3 3 ALA C C 13 178.762 0.041 . 1 . . . . 3 ALA CO . 11494 1 7 . 1 1 3 3 ALA CA C 13 52.467 0.038 . 1 . . . . 3 ALA CA . 11494 1 8 . 1 1 3 3 ALA CB C 13 19.551 0.053 . 1 . . . . 3 ALA CB . 11494 1 9 . 1 1 3 3 ALA N N 15 123.119 0.035 . 1 . . . . 3 ALA N . 11494 1 10 . 1 1 4 4 GLY H H 1 8.685 0.003 . 1 . . . . 4 GLY HN . 11494 1 11 . 1 1 4 4 GLY C C 13 174.176 0.006 . 1 . . . . 4 GLY CO . 11494 1 12 . 1 1 4 4 GLY CA C 13 44.786 0.039 . 1 . . . . 4 GLY CA . 11494 1 13 . 1 1 4 4 GLY N N 15 109.066 0.042 . 1 . . . . 4 GLY N . 11494 1 14 . 1 1 5 5 LEU H H 1 9.166 0.002 . 1 . . . . 5 LEU HN . 11494 1 15 . 1 1 5 5 LEU C C 13 173.882 0 . 1 . . . . 5 LEU CO . 11494 1 16 . 1 1 5 5 LEU CA C 13 55.603 0.005 . 1 . . . . 5 LEU CA . 11494 1 17 . 1 1 5 5 LEU CB C 13 42.968 0 . 1 . . . . 5 LEU CB . 11494 1 18 . 1 1 5 5 LEU N N 15 122.977 0.046 . 1 . . . . 5 LEU N . 11494 1 19 . 1 1 6 6 ASP H H 1 8.262 0.003 . 1 . . . . 6 ASP HN . 11494 1 20 . 1 1 6 6 ASP C C 13 177.653 0.009 . 1 . . . . 6 ASP CO . 11494 1 21 . 1 1 6 6 ASP CA C 13 54.049 0 . 1 . . . . 6 ASP CA . 11494 1 22 . 1 1 6 6 ASP CB C 13 40.366 0.058 . 1 . . . . 6 ASP CB . 11494 1 23 . 1 1 6 6 ASP N N 15 107.063 0.04 . 1 . . . . 6 ASP N . 11494 1 24 . 1 1 7 7 ASP H H 1 7.548 0.006 . 1 . . . . 7 ASP HN . 11494 1 25 . 1 1 7 7 ASP C C 13 174.867 0 . 1 . . . . 7 ASP CO . 11494 1 26 . 1 1 7 7 ASP CA C 13 52.481 0 . 1 . . . . 7 ASP CA . 11494 1 27 . 1 1 7 7 ASP CB C 13 43.187 0 . 1 . . . . 7 ASP CB . 11494 1 28 . 1 1 7 7 ASP N N 15 124.584 0.059 . 1 . . . . 7 ASP N . 11494 1 29 . 1 1 8 8 PRO C C 13 179.043 0 . 1 . . . . 8 PRO CO . 11494 1 30 . 1 1 8 8 PRO CA C 13 65.798 0 . 1 . . . . 8 PRO CA . 11494 1 31 . 1 1 8 8 PRO CB C 13 31.906 0 . 1 . . . . 8 PRO CB . 11494 1 32 . 1 1 9 9 HIS H H 1 8.266 0.004 . 1 . . . . 9 HIS HN . 11494 1 33 . 1 1 9 9 HIS C C 13 177.235 0.015 . 1 . . . . 9 HIS CO . 11494 1 34 . 1 1 9 9 HIS CA C 13 58.364 0.041 . 1 . . . . 9 HIS CA . 11494 1 35 . 1 1 9 9 HIS CB C 13 28.695 0.021 . 1 . . . . 9 HIS CB . 11494 1 36 . 1 1 9 9 HIS N N 15 116.622 0.05 . 1 . . . . 9 HIS N . 11494 1 37 . 1 1 10 10 LYS H H 1 8.003 0.008 . 1 . . . . 10 LYS HN . 11494 1 38 . 1 1 10 10 LYS C C 13 177.167 0.044 . 1 . . . . 10 LYS CO . 11494 1 39 . 1 1 10 10 LYS CA C 13 59.525 0.053 . 1 . . . . 10 LYS CA . 11494 1 40 . 1 1 10 10 LYS CB C 13 31.968 0.018 . 1 . . . . 10 LYS CB . 11494 1 41 . 1 1 10 10 LYS N N 15 120.388 0.065 . 1 . . . . 10 LYS N . 11494 1 42 . 1 1 11 11 LYS H H 1 9.114 0.006 . 1 . . . . 11 LYS HN . 11494 1 43 . 1 1 11 11 LYS C C 13 178.109 0.01 . 1 . . . . 11 LYS CO . 11494 1 44 . 1 1 11 11 LYS CA C 13 60.732 0.008 . 1 . . . . 11 LYS CA . 11494 1 45 . 1 1 11 11 LYS CB C 13 31.863 0 . 1 . . . . 11 LYS CB . 11494 1 46 . 1 1 11 11 LYS N N 15 122.63 0.049 . 1 . . . . 11 LYS N . 11494 1 47 . 1 1 12 12 GLU H H 1 7.147 0.004 . 1 . . . . 12 GLU HN . 11494 1 48 . 1 1 12 12 GLU C C 13 178.267 0.011 . 1 . . . . 12 GLU CO . 11494 1 49 . 1 1 12 12 GLU CA C 13 58.591 0.061 . 1 . . . . 12 GLU CA . 11494 1 50 . 1 1 12 12 GLU CB C 13 27.574 0 . 1 . . . . 12 GLU CB . 11494 1 51 . 1 1 12 12 GLU N N 15 118.181 0.024 . 1 . . . . 12 GLU N . 11494 1 52 . 1 1 13 13 ILE H H 1 7.375 0.003 . 1 . . . . 13 ILE HN . 11494 1 53 . 1 1 13 13 ILE C C 13 177.125 0.058 . 1 . . . . 13 ILE CO . 11494 1 54 . 1 1 13 13 ILE CA C 13 65.938 0.03 . 1 . . . . 13 ILE CA . 11494 1 55 . 1 1 13 13 ILE CB C 13 37.244 0 . 1 . . . . 13 ILE CB . 11494 1 56 . 1 1 13 13 ILE N N 15 119.995 0.041 . 1 . . . . 13 ILE N . 11494 1 57 . 1 1 14 14 ALA H H 1 8.394 0.005 . 1 . . . . 14 ALA HN . 11494 1 58 . 1 1 14 14 ALA C C 13 178.279 0.099 . 1 . . . . 14 ALA CO . 11494 1 59 . 1 1 14 14 ALA CA C 13 55.129 0.015 . 1 . . . . 14 ALA CA . 11494 1 60 . 1 1 14 14 ALA CB C 13 18.299 0.045 . 1 . . . . 14 ALA CB . 11494 1 61 . 1 1 14 14 ALA N N 15 120.939 0.051 . 1 . . . . 14 ALA N . 11494 1 62 . 1 1 15 15 MET H H 1 7.903 0.007 . 1 . . . . 15 MET HN . 11494 1 63 . 1 1 15 15 MET C C 13 180.907 0 . 1 . . . . 15 MET CO . 11494 1 64 . 1 1 15 15 MET CA C 13 56.294 0.055 . 1 . . . . 15 MET CA . 11494 1 65 . 1 1 15 15 MET CB C 13 29.095 0.044 . 1 . . . . 15 MET CB . 11494 1 66 . 1 1 15 15 MET N N 15 114.809 0.041 . 1 . . . . 15 MET N . 11494 1 67 . 1 1 16 16 GLU H H 1 8.083 0.006 . 1 . . . . 16 GLU HN . 11494 1 68 . 1 1 16 16 GLU C C 13 178.281 0.016 . 1 . . . . 16 GLU CO . 11494 1 69 . 1 1 16 16 GLU CA C 13 59.746 0.001 . 1 . . . . 16 GLU CA . 11494 1 70 . 1 1 16 16 GLU CB C 13 32.374 0 . 1 . . . . 16 GLU CB . 11494 1 71 . 1 1 16 16 GLU N N 15 121.523 0.045 . 1 . . . . 16 GLU N . 11494 1 72 . 1 1 17 17 LEU H H 1 7.591 0.005 . 1 . . . . 17 LEU HN . 11494 1 73 . 1 1 17 17 LEU C C 13 177.972 0 . 1 . . . . 17 LEU CO . 11494 1 74 . 1 1 17 17 LEU CA C 13 57.582 0.066 . 1 . . . . 17 LEU CA . 11494 1 75 . 1 1 17 17 LEU N N 15 119.051 0.061 . 1 . . . . 17 LEU N . 11494 1 76 . 1 1 18 18 VAL H H 1 6.934 0.003 . 1 . . . . 18 VAL HN . 11494 1 77 . 1 1 18 18 VAL CA C 13 58.141 0 . 1 . . . . 18 VAL CA . 11494 1 78 . 1 1 18 18 VAL N N 15 117.359 0.005 . 1 . . . . 18 VAL N . 11494 1 79 . 1 1 20 20 SER C C 13 174.918 0 . 1 . . . . 20 SER CO . 11494 1 80 . 1 1 20 20 SER CA C 13 62.626 0 . 1 . . . . 20 SER CA . 11494 1 81 . 1 1 20 20 SER CB C 13 60.426 0 . 1 . . . . 20 SER CB . 11494 1 82 . 1 1 21 21 ALA H H 1 7.226 0.004 . 1 . . . . 21 ALA HN . 11494 1 83 . 1 1 21 21 ALA C C 13 177.744 0.009 . 1 . . . . 21 ALA CO . 11494 1 84 . 1 1 21 21 ALA CA C 13 53.163 0.025 . 1 . . . . 21 ALA CA . 11494 1 85 . 1 1 21 21 ALA CB C 13 19.812 0.061 . 1 . . . . 21 ALA CB . 11494 1 86 . 1 1 21 21 ALA N N 15 125.073 0.057 . 1 . . . . 21 ALA N . 11494 1 87 . 1 1 22 22 ALA H H 1 8.706 0.005 . 1 . . . . 22 ALA HN . 11494 1 88 . 1 1 22 22 ALA C C 13 178.445 0.024 . 1 . . . . 22 ALA CO . 11494 1 89 . 1 1 22 22 ALA CA C 13 54.496 0.066 . 1 . . . . 22 ALA CA . 11494 1 90 . 1 1 22 22 ALA CB C 13 19.892 0.057 . 1 . . . . 22 ALA CB . 11494 1 91 . 1 1 22 22 ALA N N 15 121.918 0.026 . 1 . . . . 22 ALA N . 11494 1 92 . 1 1 23 23 ASN H H 1 8.91 0.003 . 1 . . . . 23 ASN HN . 11494 1 93 . 1 1 23 23 ASN C C 13 173.935 0.006 . 1 . . . . 23 ASN CO . 11494 1 94 . 1 1 23 23 ASN CA C 13 52.389 0.068 . 1 . . . . 23 ASN CA . 11494 1 95 . 1 1 23 23 ASN CB C 13 40.971 0.07 . 1 . . . . 23 ASN CB . 11494 1 96 . 1 1 23 23 ASN N N 15 111.329 0.047 . 1 . . . . 23 ASN N . 11494 1 97 . 1 1 24 24 SER H H 1 7.109 0.004 . 1 . . . . 24 SER HN . 11494 1 98 . 1 1 24 24 SER C C 13 172.984 0 . 1 . . . . 24 SER CO . 11494 1 99 . 1 1 24 24 SER CA C 13 59.875 0.011 . 1 . . . . 24 SER CA . 11494 1 100 . 1 1 24 24 SER CB C 13 61.314 0.019 . 1 . . . . 24 SER CB . 11494 1 101 . 1 1 24 24 SER N N 15 112.096 0.04 . 1 . . . . 24 SER N . 11494 1 102 . 1 1 25 25 SER H H 1 6.811 0.006 . 1 . . . . 25 SER HN . 11494 1 103 . 1 1 25 25 SER C C 13 174.737 0.009 . 1 . . . . 25 SER CO . 11494 1 104 . 1 1 25 25 SER CA C 13 56.323 0.073 . 1 . . . . 25 SER CA . 11494 1 105 . 1 1 25 25 SER CB C 13 64.666 0.059 . 1 . . . . 25 SER CB . 11494 1 106 . 1 1 25 25 SER N N 15 107.164 0.052 . 1 . . . . 25 SER N . 11494 1 107 . 1 1 26 26 LEU H H 1 9.244 0.002 . 1 . . . . 26 LEU HN . 11494 1 108 . 1 1 26 26 LEU C C 13 177.351 0.051 . 1 . . . . 26 LEU CO . 11494 1 109 . 1 1 26 26 LEU CA C 13 55.82 0.04 . 1 . . . . 26 LEU CA . 11494 1 110 . 1 1 26 26 LEU CB C 13 40.39 0 . 1 . . . . 26 LEU CB . 11494 1 111 . 1 1 26 26 LEU N N 15 125.498 0.02 . 1 . . . . 26 LEU N . 11494 1 112 . 1 1 27 27 ASP H H 1 8.435 0.003 . 1 . . . . 27 ASP HN . 11494 1 113 . 1 1 27 27 ASP C C 13 176.368 0.042 . 1 . . . . 27 ASP CO . 11494 1 114 . 1 1 27 27 ASP CA C 13 52.183 0.037 . 1 . . . . 27 ASP CA . 11494 1 115 . 1 1 27 27 ASP CB C 13 38.209 0.004 . 1 . . . . 27 ASP CB . 11494 1 116 . 1 1 27 27 ASP N N 15 119.147 0.045 . 1 . . . . 27 ASP N . 11494 1 117 . 1 1 28 28 TRP H H 1 8.058 0.002 . 1 . . . . 28 TRP HN . 11494 1 118 . 1 1 28 28 TRP C C 13 178.416 0.011 . 1 . . . . 28 TRP CO . 11494 1 119 . 1 1 28 28 TRP CA C 13 58.387 0.061 . 1 . . . . 28 TRP CA . 11494 1 120 . 1 1 28 28 TRP CB C 13 28.266 0.01 . 1 . . . . 28 TRP CB . 11494 1 121 . 1 1 28 28 TRP N N 15 127.889 0.056 . 1 . . . . 28 TRP N . 11494 1 122 . 1 1 29 29 LYS H H 1 7.52 0.001 . 1 . . . . 29 LYS HN . 11494 1 123 . 1 1 29 29 LYS C C 13 178.066 0 . 1 . . . . 29 LYS CO . 11494 1 124 . 1 1 29 29 LYS CA C 13 58.094 0.029 . 1 . . . . 29 LYS CA . 11494 1 125 . 1 1 29 29 LYS CB C 13 30.511 0.081 . 1 . . . . 29 LYS CB . 11494 1 126 . 1 1 29 29 LYS N N 15 120.939 0.043 . 1 . . . . 29 LYS N . 11494 1 127 . 1 1 30 30 ALA H H 1 7.217 0.004 . 1 . . . . 30 ALA HN . 11494 1 128 . 1 1 30 30 ALA C C 13 178.267 0.011 . 1 . . . . 30 ALA CO . 11494 1 129 . 1 1 30 30 ALA CA C 13 53.793 0.078 . 1 . . . . 30 ALA CA . 11494 1 130 . 1 1 30 30 ALA CB C 13 17.583 0.023 . 1 . . . . 30 ALA CB . 11494 1 131 . 1 1 30 30 ALA N N 15 121.91 0.029 . 1 . . . . 30 ALA N . 11494 1 132 . 1 1 31 31 GLN H H 1 7.305 0.004 . 1 . . . . 31 GLN HN . 11494 1 133 . 1 1 31 31 GLN C C 13 177.934 0.031 . 1 . . . . 31 GLN CO . 11494 1 134 . 1 1 31 31 GLN CA C 13 54.786 0.023 . 1 . . . . 31 GLN CA . 11494 1 135 . 1 1 31 31 GLN CB C 13 29.654 0 . 1 . . . . 31 GLN CB . 11494 1 136 . 1 1 31 31 GLN N N 15 110.375 0.017 . 1 . . . . 31 GLN N . 11494 1 137 . 1 1 32 32 TYR H H 1 7.545 0.003 . 1 . . . . 32 TYR HN . 11494 1 138 . 1 1 32 32 TYR C C 13 178.579 0.005 . 1 . . . . 32 TYR CO . 11494 1 139 . 1 1 32 32 TYR CA C 13 62.932 0.077 . 1 . . . . 32 TYR CA . 11494 1 140 . 1 1 32 32 TYR CB C 13 37.635 0.001 . 1 . . . . 32 TYR CB . 11494 1 141 . 1 1 32 32 TYR N N 15 119.57 0.051 . 1 . . . . 32 TYR N . 11494 1 142 . 1 1 33 33 LYS H H 1 7.527 0.002 . 1 . . . . 33 LYS HN . 11494 1 143 . 1 1 33 33 LYS C C 13 174.29 0.015 . 1 . . . . 33 LYS CO . 11494 1 144 . 1 1 33 33 LYS CA C 13 55.826 0.006 . 1 . . . . 33 LYS CA . 11494 1 145 . 1 1 33 33 LYS CB C 13 33.31 0.01 . 1 . . . . 33 LYS CB . 11494 1 146 . 1 1 33 33 LYS N N 15 109.525 0.009 . 1 . . . . 33 LYS N . 11494 1 147 . 1 1 34 34 TYR H H 1 7.328 0.004 . 1 . . . . 34 TYR HN . 11494 1 148 . 1 1 34 34 TYR C C 13 174.683 0.003 . 1 . . . . 34 TYR CO . 11494 1 149 . 1 1 34 34 TYR CA C 13 58.294 0.027 . 1 . . . . 34 TYR CA . 11494 1 150 . 1 1 34 34 TYR CB C 13 38.755 0.058 . 1 . . . . 34 TYR CB . 11494 1 151 . 1 1 34 34 TYR N N 15 124.137 0.047 . 1 . . . . 34 TYR N . 11494 1 152 . 1 1 35 35 ILE H H 1 7.42 0.003 . 1 . . . . 35 ILE HN . 11494 1 153 . 1 1 35 35 ILE C C 13 172.485 0.036 . 1 . . . . 35 ILE CO . 11494 1 154 . 1 1 35 35 ILE CA C 13 59.465 0.09 . 1 . . . . 35 ILE CA . 11494 1 155 . 1 1 35 35 ILE CB C 13 37.238 0 . 1 . . . . 35 ILE CB . 11494 1 156 . 1 1 35 35 ILE N N 15 123.176 0.048 . 1 . . . . 35 ILE N . 11494 1 157 . 1 1 36 36 GLU H H 1 8.75 0.005 . 1 . . . . 36 GLU HN . 11494 1 158 . 1 1 36 36 GLU C C 13 174.25 0.023 . 1 . . . . 36 GLU CO . 11494 1 159 . 1 1 36 36 GLU CA C 13 55.519 0.036 . 1 . . . . 36 GLU CA . 11494 1 160 . 1 1 36 36 GLU CB C 13 32.835 0.01 . 1 . . . . 36 GLU CB . 11494 1 161 . 1 1 36 36 GLU N N 15 125.687 0.029 . 1 . . . . 36 GLU N . 11494 1 162 . 1 1 37 37 ASP H H 1 8.959 0.002 . 1 . . . . 37 ASP HN . 11494 1 163 . 1 1 37 37 ASP C C 13 177.601 0.005 . 1 . . . . 37 ASP CO . 11494 1 164 . 1 1 37 37 ASP CA C 13 52.867 0.03 . 1 . . . . 37 ASP CA . 11494 1 165 . 1 1 37 37 ASP CB C 13 40.123 0.036 . 1 . . . . 37 ASP CB . 11494 1 166 . 1 1 37 37 ASP N N 15 123.21 0.026 . 1 . . . . 37 ASP N . 11494 1 167 . 1 1 38 38 ILE H H 1 8.81 0.008 . 1 . . . . 38 ILE HN . 11494 1 168 . 1 1 38 38 ILE C C 13 178.048 0.003 . 1 . . . . 38 ILE CO . 11494 1 169 . 1 1 38 38 ILE CA C 13 61.857 0 . 1 . . . . 38 ILE CA . 11494 1 170 . 1 1 38 38 ILE CB C 13 37.804 0 . 1 . . . . 38 ILE CB . 11494 1 171 . 1 1 38 38 ILE N N 15 122.094 0.083 . 1 . . . . 38 ILE N . 11494 1 172 . 1 1 39 39 GLY H H 1 9.579 0.005 . 1 . . . . 39 GLY HN . 11494 1 173 . 1 1 39 39 GLY C C 13 174.466 0 . 1 . . . . 39 GLY CO . 11494 1 174 . 1 1 39 39 GLY CA C 13 46.41 0.015 . 1 . . . . 39 GLY CA . 11494 1 175 . 1 1 39 39 GLY N N 15 111.536 0.034 . 1 . . . . 39 GLY N . 11494 1 176 . 1 1 40 40 ASP H H 1 8.127 0.005 . 1 . . . . 40 ASP HN . 11494 1 177 . 1 1 40 40 ASP C C 13 176.351 0.019 . 1 . . . . 40 ASP CO . 11494 1 178 . 1 1 40 40 ASP CA C 13 52.99 0.016 . 1 . . . . 40 ASP CA . 11494 1 179 . 1 1 40 40 ASP CB C 13 40.275 0.035 . 1 . . . . 40 ASP CB . 11494 1 180 . 1 1 40 40 ASP N N 15 117.679 0.058 . 1 . . . . 40 ASP N . 11494 1 181 . 1 1 41 41 GLY H H 1 8.704 0.003 . 1 . . . . 41 GLY HN . 11494 1 182 . 1 1 41 41 GLY C C 13 174.273 0.063 . 1 . . . . 41 GLY CO . 11494 1 183 . 1 1 41 41 GLY CA C 13 44.957 0.091 . 1 . . . . 41 GLY CA . 11494 1 184 . 1 1 41 41 GLY N N 15 109.507 0.027 . 1 . . . . 41 GLY N . 11494 1 185 . 1 1 42 42 ARG H H 1 7.709 0.004 . 1 . . . . 42 ARG HN . 11494 1 186 . 1 1 42 42 ARG C C 13 175.464 0.044 . 1 . . . . 42 ARG CO . 11494 1 187 . 1 1 42 42 ARG CA C 13 56.438 0.036 . 1 . . . . 42 ARG CA . 11494 1 188 . 1 1 42 42 ARG CB C 13 30.794 0 . 1 . . . . 42 ARG CB . 11494 1 189 . 1 1 42 42 ARG N N 15 118.611 0.023 . 1 . . . . 42 ARG N . 11494 1 190 . 1 1 43 43 GLY H H 1 8.425 0.004 . 1 . . . . 43 GLY HN . 11494 1 191 . 1 1 43 43 GLY CA C 13 43.791 0.005 . 1 . . . . 43 GLY CA . 11494 1 192 . 1 1 43 43 GLY N N 15 106.465 0.024 . 1 . . . . 43 GLY N . 11494 1 193 . 1 1 44 44 TYR H H 1 8.631 0.002 . 1 . . . . 44 TYR HN . 11494 1 194 . 1 1 44 44 TYR C C 13 175.029 0.004 . 1 . . . . 44 TYR CO . 11494 1 195 . 1 1 44 44 TYR CA C 13 59.977 0.052 . 1 . . . . 44 TYR CA . 11494 1 196 . 1 1 44 44 TYR CB C 13 39.651 0 . 1 . . . . 44 TYR CB . 11494 1 197 . 1 1 44 44 TYR N N 15 120.402 0.006 . 1 . . . . 44 TYR N . 11494 1 198 . 1 1 45 45 THR H H 1 8.863 0.004 . 1 . . . . 45 THR HN . 11494 1 199 . 1 1 45 45 THR C C 13 173.918 0.042 . 1 . . . . 45 THR CO . 11494 1 200 . 1 1 45 45 THR CA C 13 61.184 0.009 . 1 . . . . 45 THR CA . 11494 1 201 . 1 1 45 45 THR CB C 13 70.089 0.025 . 1 . . . . 45 THR CB . 11494 1 202 . 1 1 45 45 THR N N 15 119.958 0.028 . 1 . . . . 45 THR N . 11494 1 203 . 1 1 46 46 GLY H H 1 9.468 0.005 . 1 . . . . 46 GLY HN . 11494 1 204 . 1 1 46 46 GLY C C 13 174.366 0.024 . 1 . . . . 46 GLY CO . 11494 1 205 . 1 1 46 46 GLY CA C 13 45.329 0.083 . 1 . . . . 46 GLY CA . 11494 1 206 . 1 1 46 46 GLY N N 15 110.115 0.052 . 1 . . . . 46 GLY N . 11494 1 207 . 1 1 47 47 GLY H H 1 9.661 0.004 . 1 . . . . 47 GLY HN . 11494 1 208 . 1 1 47 47 GLY CA C 13 45.808 0 . 1 . . . . 47 GLY CA . 11494 1 209 . 1 1 47 47 GLY N N 15 105.301 0.012 . 1 . . . . 47 GLY N . 11494 1 210 . 1 1 59 59 LEU CA C 13 58.739 0 . 1 . . . . 59 LEU CA . 11494 1 211 . 1 1 60 60 GLU H H 1 7.603 0.004 . 1 . . . . 60 GLU HN . 11494 1 212 . 1 1 60 60 GLU C C 13 178.998 0.023 . 1 . . . . 60 GLU CO . 11494 1 213 . 1 1 60 60 GLU CA C 13 59.6 0.021 . 1 . . . . 60 GLU CA . 11494 1 214 . 1 1 60 60 GLU CB C 13 28.811 0.036 . 1 . . . . 60 GLU CB . 11494 1 215 . 1 1 60 60 GLU N N 15 117.725 0.003 . 1 . . . . 60 GLU N . 11494 1 216 . 1 1 61 61 LEU H H 1 7.985 0.005 . 1 . . . . 61 LEU HN . 11494 1 217 . 1 1 61 61 LEU C C 13 177.864 0 . 1 . . . . 61 LEU CO . 11494 1 218 . 1 1 61 61 LEU CA C 13 58.484 0.017 . 1 . . . . 61 LEU CA . 11494 1 219 . 1 1 61 61 LEU N N 15 120.134 0.041 . 1 . . . . 61 LEU N . 11494 1 220 . 1 1 62 62 VAL H H 1 8.663 0.003 . 1 . . . . 62 VAL HN . 11494 1 221 . 1 1 62 62 VAL C C 13 179.527 0.003 . 1 . . . . 62 VAL CO . 11494 1 222 . 1 1 62 62 VAL CA C 13 67.595 0.003 . 1 . . . . 62 VAL CA . 11494 1 223 . 1 1 62 62 VAL CB C 13 31.315 0 . 1 . . . . 62 VAL CB . 11494 1 224 . 1 1 62 62 VAL N N 15 120.194 0.059 . 1 . . . . 62 VAL N . 11494 1 225 . 1 1 63 63 GLN H H 1 9.149 0.005 . 1 . . . . 63 GLN HN . 11494 1 226 . 1 1 63 63 GLN C C 13 177.325 0.032 . 1 . . . . 63 GLN CO . 11494 1 227 . 1 1 63 63 GLN CA C 13 59.645 0.033 . 1 . . . . 63 GLN CA . 11494 1 228 . 1 1 63 63 GLN CB C 13 27.979 0.061 . 1 . . . . 63 GLN CB . 11494 1 229 . 1 1 63 63 GLN N N 15 125.274 0.015 . 1 . . . . 63 GLN N . 11494 1 230 . 1 1 64 64 HIS H H 1 8.634 0.003 . 1 . . . . 64 HIS HN . 11494 1 231 . 1 1 64 64 HIS C C 13 176.726 0.001 . 1 . . . . 64 HIS CO . 11494 1 232 . 1 1 64 64 HIS CA C 13 58.695 0.013 . 1 . . . . 64 HIS CA . 11494 1 233 . 1 1 64 64 HIS CB C 13 27.872 0.067 . 1 . . . . 64 HIS CB . 11494 1 234 . 1 1 64 64 HIS N N 15 120.024 0.055 . 1 . . . . 64 HIS N . 11494 1 235 . 1 1 65 65 TYR H H 1 9.042 0.005 . 1 . . . . 65 TYR HN . 11494 1 236 . 1 1 65 65 TYR C C 13 175.715 0.002 . 1 . . . . 65 TYR CO . 11494 1 237 . 1 1 65 65 TYR CA C 13 57.392 0.011 . 1 . . . . 65 TYR CA . 11494 1 238 . 1 1 65 65 TYR CB C 13 38.031 0 . 1 . . . . 65 TYR CB . 11494 1 239 . 1 1 65 65 TYR N N 15 118.348 0.041 . 1 . . . . 65 TYR N . 11494 1 240 . 1 1 66 66 THR H H 1 7.919 0.003 . 1 . . . . 66 THR HN . 11494 1 241 . 1 1 66 66 THR C C 13 174.783 0 . 1 . . . . 66 THR CO . 11494 1 242 . 1 1 66 66 THR CA C 13 65.721 0 . 1 . . . . 66 THR CA . 11494 1 243 . 1 1 66 66 THR CB C 13 68.236 0 . 1 . . . . 66 THR CB . 11494 1 244 . 1 1 66 66 THR N N 15 116.21 0.046 . 1 . . . . 66 THR N . 11494 1 245 . 1 1 67 67 ASP H H 1 8.148 0.005 . 1 . . . . 67 ASP HN . 11494 1 246 . 1 1 67 67 ASP C C 13 178.342 0.003 . 1 . . . . 67 ASP CO . 11494 1 247 . 1 1 67 67 ASP CA C 13 56.919 0.016 . 1 . . . . 67 ASP CA . 11494 1 248 . 1 1 67 67 ASP CB C 13 39.67 0.011 . 1 . . . . 67 ASP CB . 11494 1 249 . 1 1 67 67 ASP N N 15 123.163 0.055 . 1 . . . . 67 ASP N . 11494 1 250 . 1 1 68 68 LEU H H 1 7.362 0.002 . 1 . . . . 68 LEU HN . 11494 1 251 . 1 1 68 68 LEU C C 13 177.826 0.001 . 1 . . . . 68 LEU CO . 11494 1 252 . 1 1 68 68 LEU CA C 13 56.633 0.007 . 1 . . . . 68 LEU CA . 11494 1 253 . 1 1 68 68 LEU CB C 13 42.843 0 . 1 . . . . 68 LEU CB . 11494 1 254 . 1 1 68 68 LEU N N 15 117.165 0.057 . 1 . . . . 68 LEU N . 11494 1 255 . 1 1 69 69 GLU H H 1 8.252 0.002 . 1 . . . . 69 GLU HN . 11494 1 256 . 1 1 69 69 GLU C C 13 171.206 0 . 1 . . . . 69 GLU CO . 11494 1 257 . 1 1 69 69 GLU CA C 13 52.529 0 . 1 . . . . 69 GLU CA . 11494 1 258 . 1 1 69 69 GLU CB C 13 29.936 0 . 1 . . . . 69 GLU CB . 11494 1 259 . 1 1 69 69 GLU N N 15 119.709 0.008 . 1 . . . . 69 GLU N . 11494 1 260 . 1 1 70 70 PRO C C 13 177.692 0 . 1 . . . . 70 PRO CO . 11494 1 261 . 1 1 70 70 PRO CA C 13 64.533 0 . 1 . . . . 70 PRO CA . 11494 1 262 . 1 1 70 70 PRO CB C 13 31.555 0 . 1 . . . . 70 PRO CB . 11494 1 263 . 1 1 71 71 GLY H H 1 8.653 0.003 . 1 . . . . 71 GLY HN . 11494 1 264 . 1 1 71 71 GLY C C 13 174.232 0.016 . 1 . . . . 71 GLY CO . 11494 1 265 . 1 1 71 71 GLY CA C 13 45.325 0.044 . 1 . . . . 71 GLY CA . 11494 1 266 . 1 1 71 71 GLY N N 15 106.077 0.047 . 1 . . . . 71 GLY N . 11494 1 267 . 1 1 72 72 ASN H H 1 7.005 0.003 . 1 . . . . 72 ASN HN . 11494 1 268 . 1 1 72 72 ASN C C 13 175.132 0.001 . 1 . . . . 72 ASN CO . 11494 1 269 . 1 1 72 72 ASN CA C 13 53.739 0.036 . 1 . . . . 72 ASN CA . 11494 1 270 . 1 1 72 72 ASN CB C 13 39.51 0.048 . 1 . . . . 72 ASN CB . 11494 1 271 . 1 1 72 72 ASN N N 15 116.221 0.009 . 1 . . . . 72 ASN N . 11494 1 272 . 1 1 73 73 ILE H H 1 8.529 0.003 . 1 . . . . 73 ILE HN . 11494 1 273 . 1 1 73 73 ILE C C 13 174.808 0.018 . 1 . . . . 73 ILE CO . 11494 1 274 . 1 1 73 73 ILE CA C 13 63.984 0.001 . 1 . . . . 73 ILE CA . 11494 1 275 . 1 1 73 73 ILE N N 15 117.324 0.038 . 1 . . . . 73 ILE N . 11494 1 276 . 1 1 74 74 LEU H H 1 9.01 0.006 . 1 . . . . 74 LEU HN . 11494 1 277 . 1 1 74 74 LEU C C 13 178.225 0.033 . 1 . . . . 74 LEU CO . 11494 1 278 . 1 1 74 74 LEU CA C 13 53.987 0.081 . 1 . . . . 74 LEU CA . 11494 1 279 . 1 1 74 74 LEU CB C 13 42.473 0.056 . 1 . . . . 74 LEU CB . 11494 1 280 . 1 1 74 74 LEU N N 15 118.915 0.054 . 1 . . . . 74 LEU N . 11494 1 281 . 1 1 75 75 ALA H H 1 7.239 0.001 . 1 . . . . 75 ALA HN . 11494 1 282 . 1 1 75 75 ALA C C 13 181.091 0.019 . 1 . . . . 75 ALA CO . 11494 1 283 . 1 1 75 75 ALA CA C 13 55.208 0.038 . 1 . . . . 75 ALA CA . 11494 1 284 . 1 1 75 75 ALA CB C 13 18.067 0.018 . 1 . . . . 75 ALA CB . 11494 1 285 . 1 1 75 75 ALA N N 15 126.238 0.066 . 1 . . . . 75 ALA N . 11494 1 286 . 1 1 76 76 LYS H H 1 8.353 0.003 . 1 . . . . 76 LYS HN . 11494 1 287 . 1 1 76 76 LYS C C 13 176.858 0.022 . 1 . . . . 76 LYS CO . 11494 1 288 . 1 1 76 76 LYS CA C 13 57.155 0.035 . 1 . . . . 76 LYS CA . 11494 1 289 . 1 1 76 76 LYS CB C 13 30.654 0.077 . 1 . . . . 76 LYS CB . 11494 1 290 . 1 1 76 76 LYS N N 15 115.484 0.023 . 1 . . . . 76 LYS N . 11494 1 291 . 1 1 77 77 TYR H H 1 8.131 0.004 . 1 . . . . 77 TYR HN . 11494 1 292 . 1 1 77 77 TYR C C 13 175.538 0.015 . 1 . . . . 77 TYR CO . 11494 1 293 . 1 1 77 77 TYR CA C 13 59.023 0.012 . 1 . . . . 77 TYR CA . 11494 1 294 . 1 1 77 77 TYR CB C 13 37.506 0.078 . 1 . . . . 77 TYR CB . 11494 1 295 . 1 1 77 77 TYR N N 15 118.711 0.095 . 1 . . . . 77 TYR N . 11494 1 296 . 1 1 78 78 LEU H H 1 7.94 0.002 . 1 . . . . 78 LEU HN . 11494 1 297 . 1 1 78 78 LEU CA C 13 60.567 0 . 1 . . . . 78 LEU CA . 11494 1 298 . 1 1 78 78 LEU N N 15 121.143 0.035 . 1 . . . . 78 LEU N . 11494 1 299 . 1 1 83 83 LYS H H 1 7.595 0 . 1 . . . . 83 LYS HN . 11494 1 300 . 1 1 83 83 LYS C C 13 178.796 0.014 . 1 . . . . 83 LYS CO . 11494 1 301 . 1 1 83 83 LYS CA C 13 59.098 0 . 1 . . . . 83 LYS CA . 11494 1 302 . 1 1 83 83 LYS CB C 13 32.892 0 . 1 . . . . 83 LYS CB . 11494 1 303 . 1 1 83 83 LYS N N 15 119.174 0 . 1 . . . . 83 LYS N . 11494 1 304 . 1 1 84 84 VAL H H 1 8.297 0.002 . 1 . . . . 84 VAL HN . 11494 1 305 . 1 1 84 84 VAL C C 13 176.281 0.01 . 1 . . . . 84 VAL CO . 11494 1 306 . 1 1 84 84 VAL CA C 13 62.356 0.006 . 1 . . . . 84 VAL CA . 11494 1 307 . 1 1 84 84 VAL CB C 13 32.606 0.011 . 1 . . . . 84 VAL CB . 11494 1 308 . 1 1 84 84 VAL N N 15 109.272 0.017 . 1 . . . . 84 VAL N . 11494 1 309 . 1 1 85 85 ASN H H 1 6.805 0.009 . 1 . . . . 85 ASN HN . 11494 1 310 . 1 1 85 85 ASN C C 13 176.159 0.023 . 1 . . . . 85 ASN CO . 11494 1 311 . 1 1 85 85 ASN CA C 13 54.811 0.046 . 1 . . . . 85 ASN CA . 11494 1 312 . 1 1 85 85 ASN CB C 13 37.703 0.038 . 1 . . . . 85 ASN CB . 11494 1 313 . 1 1 85 85 ASN N N 15 118.797 0.059 . 1 . . . . 85 ASN N . 11494 1 314 . 1 1 86 86 GLY H H 1 8.12 0.005 . 1 . . . . 86 GLY HN . 11494 1 315 . 1 1 86 86 GLY C C 13 173.421 0.054 . 1 . . . . 86 GLY CO . 11494 1 316 . 1 1 86 86 GLY CA C 13 45.044 0.058 . 1 . . . . 86 GLY CA . 11494 1 317 . 1 1 86 86 GLY N N 15 116.326 0.037 . 1 . . . . 86 GLY N . 11494 1 318 . 1 1 87 87 SER H H 1 8.899 0.004 . 1 . . . . 87 SER HN . 11494 1 319 . 1 1 87 87 SER C C 13 171.655 0.035 . 1 . . . . 87 SER CO . 11494 1 320 . 1 1 87 87 SER CA C 13 57.103 0.096 . 1 . . . . 87 SER CA . 11494 1 321 . 1 1 87 87 SER CB C 13 68.698 0.039 . 1 . . . . 87 SER CB . 11494 1 322 . 1 1 87 87 SER N N 15 118.177 0.081 . 1 . . . . 87 SER N . 11494 1 323 . 1 1 88 88 ALA H H 1 8.484 0.003 . 1 . . . . 88 ALA HN . 11494 1 324 . 1 1 88 88 ALA C C 13 176.424 0.015 . 1 . . . . 88 ALA CO . 11494 1 325 . 1 1 88 88 ALA CA C 13 50.519 0.042 . 1 . . . . 88 ALA CA . 11494 1 326 . 1 1 88 88 ALA CB C 13 17.988 0.062 . 1 . . . . 88 ALA CB . 11494 1 327 . 1 1 88 88 ALA N N 15 120.674 0.04 . 1 . . . . 88 ALA N . 11494 1 328 . 1 1 89 89 SER H H 1 7.601 0.003 . 1 . . . . 89 SER HN . 11494 1 329 . 1 1 89 89 SER C C 13 175.192 0.035 . 1 . . . . 89 SER CO . 11494 1 330 . 1 1 89 89 SER CA C 13 58.601 0.058 . 1 . . . . 89 SER CA . 11494 1 331 . 1 1 89 89 SER CB C 13 63.997 0.031 . 1 . . . . 89 SER CB . 11494 1 332 . 1 1 89 89 SER N N 15 110.657 0.041 . 1 . . . . 89 SER N . 11494 1 333 . 1 1 90 90 HIS H H 1 8.811 0.001 . 1 . . . . 90 HIS HN . 11494 1 334 . 1 1 90 90 HIS C C 13 175.655 0.021 . 1 . . . . 90 HIS CO . 11494 1 335 . 1 1 90 90 HIS CA C 13 52.046 0.002 . 1 . . . . 90 HIS CA . 11494 1 336 . 1 1 90 90 HIS CB C 13 29.608 0.031 . 1 . . . . 90 HIS CB . 11494 1 337 . 1 1 90 90 HIS N N 15 120.1 0 . 1 . . . . 90 HIS N . 11494 1 338 . 1 1 91 91 SER H H 1 8.603 0.005 . 1 . . . . 91 SER HN . 11494 1 339 . 1 1 91 91 SER C C 13 174.636 0.02 . 1 . . . . 91 SER CO . 11494 1 340 . 1 1 91 91 SER CA C 13 60.837 0 . 1 . . . . 91 SER CA . 11494 1 341 . 1 1 91 91 SER CB C 13 62.727 0.046 . 1 . . . . 91 SER CB . 11494 1 342 . 1 1 91 91 SER N N 15 120.353 0.091 . 1 . . . . 91 SER N . 11494 1 343 . 1 1 92 92 GLY H H 1 8.7 0.004 . 1 . . . . 92 GLY HN . 11494 1 344 . 1 1 92 92 GLY C C 13 173.529 0.071 . 1 . . . . 92 GLY CO . 11494 1 345 . 1 1 92 92 GLY CA C 13 45.363 0.014 . 1 . . . . 92 GLY CA . 11494 1 346 . 1 1 92 92 GLY N N 15 113.42 0.056 . 1 . . . . 92 GLY N . 11494 1 347 . 1 1 93 93 LEU H H 1 7.953 0.009 . 1 . . . . 93 LEU HN . 11494 1 348 . 1 1 93 93 LEU C C 13 176.015 0.018 . 1 . . . . 93 LEU CO . 11494 1 349 . 1 1 93 93 LEU CA C 13 53.905 0.056 . 1 . . . . 93 LEU CA . 11494 1 350 . 1 1 93 93 LEU CB C 13 40.011 0.032 . 1 . . . . 93 LEU CB . 11494 1 351 . 1 1 93 93 LEU N N 15 120.599 0.062 . 1 . . . . 93 LEU N . 11494 1 352 . 1 1 94 94 GLY H H 1 7.371 0.004 . 1 . . . . 94 GLY HN . 11494 1 353 . 1 1 94 94 GLY C C 13 172.933 0.029 . 1 . . . . 94 GLY CO . 11494 1 354 . 1 1 94 94 GLY CA C 13 45.329 0.07 . 1 . . . . 94 GLY CA . 11494 1 355 . 1 1 94 94 GLY N N 15 108.075 0.091 . 1 . . . . 94 GLY N . 11494 1 356 . 1 1 95 95 THR H H 1 8.883 0.002 . 1 . . . . 95 THR HN . 11494 1 357 . 1 1 95 95 THR CA C 13 65.172 0 . 1 . . . . 95 THR CA . 11494 1 358 . 1 1 95 95 THR CB C 13 67.283 0 . 1 . . . . 95 THR CB . 11494 1 359 . 1 1 95 95 THR N N 15 116.044 0.096 . 1 . . . . 95 THR N . 11494 1 360 . 1 1 96 96 PRO C C 13 178.099 0 . 1 . . . . 96 PRO CO . 11494 1 361 . 1 1 96 96 PRO CA C 13 66.619 0 . 1 . . . . 96 PRO CA . 11494 1 362 . 1 1 96 96 PRO CB C 13 31.61 0 . 1 . . . . 96 PRO CB . 11494 1 363 . 1 1 97 97 PHE H H 1 6.672 0.008 . 1 . . . . 97 PHE HN . 11494 1 364 . 1 1 97 97 PHE C C 13 176.311 0.02 . 1 . . . . 97 PHE CO . 11494 1 365 . 1 1 97 97 PHE CA C 13 60.217 0.01 . 1 . . . . 97 PHE CA . 11494 1 366 . 1 1 97 97 PHE CB C 13 39.199 0.014 . 1 . . . . 97 PHE CB . 11494 1 367 . 1 1 97 97 PHE N N 15 114.833 0.072 . 1 . . . . 97 PHE N . 11494 1 368 . 1 1 98 98 THR H H 1 7.948 0.002 . 1 . . . . 98 THR HN . 11494 1 369 . 1 1 98 98 THR C C 13 178.546 0.024 . 1 . . . . 98 THR CO . 11494 1 370 . 1 1 98 98 THR CA C 13 65.283 0.036 . 1 . . . . 98 THR CA . 11494 1 371 . 1 1 98 98 THR CB C 13 67.212 0.055 . 1 . . . . 98 THR CB . 11494 1 372 . 1 1 98 98 THR N N 15 109.622 0.05 . 1 . . . . 98 THR N . 11494 1 373 . 1 1 99 99 LYS H H 1 8.346 0.005 . 1 . . . . 99 LYS HN . 11494 1 374 . 1 1 99 99 LYS C C 13 178.947 0.027 . 1 . . . . 99 LYS CO . 11494 1 375 . 1 1 99 99 LYS CA C 13 59.509 0.002 . 1 . . . . 99 LYS CA . 11494 1 376 . 1 1 99 99 LYS CB C 13 32.068 0.005 . 1 . . . . 99 LYS CB . 11494 1 377 . 1 1 99 99 LYS N N 15 125.597 0.022 . 1 . . . . 99 LYS N . 11494 1 378 . 1 1 100 100 ASP H H 1 8.264 0.004 . 1 . . . . 100 ASP HN . 11494 1 379 . 1 1 100 100 ASP C C 13 177.571 0.004 . 1 . . . . 100 ASP CO . 11494 1 380 . 1 1 100 100 ASP CA C 13 57.658 0.091 . 1 . . . . 100 ASP CA . 11494 1 381 . 1 1 100 100 ASP CB C 13 39.995 0.048 . 1 . . . . 100 ASP CB . 11494 1 382 . 1 1 100 100 ASP N N 15 121.558 0.033 . 1 . . . . 100 ASP N . 11494 1 383 . 1 1 101 101 TRP H H 1 8.743 0.003 . 1 . . . . 101 TRP HN . 11494 1 384 . 1 1 101 101 TRP C C 13 176.661 0.025 . 1 . . . . 101 TRP CO . 11494 1 385 . 1 1 101 101 TRP CA C 13 61.498 0.012 . 1 . . . . 101 TRP CA . 11494 1 386 . 1 1 101 101 TRP CB C 13 27.104 0.016 . 1 . . . . 101 TRP CB . 11494 1 387 . 1 1 101 101 TRP N N 15 122.923 0.06 . 1 . . . . 101 TRP N . 11494 1 388 . 1 1 102 102 ALA H H 1 7.223 0.006 . 1 . . . . 102 ALA HN . 11494 1 389 . 1 1 102 102 ALA C C 13 180.539 0 . 1 . . . . 102 ALA CO . 11494 1 390 . 1 1 102 102 ALA CA C 13 55.507 0.061 . 1 . . . . 102 ALA CA . 11494 1 391 . 1 1 102 102 ALA CB C 13 17.561 0.049 . 1 . . . . 102 ALA CB . 11494 1 392 . 1 1 102 102 ALA N N 15 118.74 0.061 . 1 . . . . 102 ALA N . 11494 1 393 . 1 1 103 103 THR H H 1 8.065 0.004 . 1 . . . . 103 THR HN . 11494 1 394 . 1 1 103 103 THR C C 13 177.365 0.041 . 1 . . . . 103 THR CO . 11494 1 395 . 1 1 103 103 THR CA C 13 66.5 0.077 . 1 . . . . 103 THR CA . 11494 1 396 . 1 1 103 103 THR CB C 13 67.978 0.008 . 1 . . . . 103 THR CB . 11494 1 397 . 1 1 103 103 THR N N 15 117.21 0.031 . 1 . . . . 103 THR N . 11494 1 398 . 1 1 104 104 ALA H H 1 8.957 0.002 . 1 . . . . 104 ALA HN . 11494 1 399 . 1 1 104 104 ALA C C 13 178.256 0.009 . 1 . . . . 104 ALA CO . 11494 1 400 . 1 1 104 104 ALA CA C 13 54.822 0.026 . 1 . . . . 104 ALA CA . 11494 1 401 . 1 1 104 104 ALA CB C 13 16.694 0.042 . 1 . . . . 104 ALA CB . 11494 1 402 . 1 1 104 104 ALA N N 15 127.684 0.028 . 1 . . . . 104 ALA N . 11494 1 403 . 1 1 105 105 ALA H H 1 7.883 0.004 . 1 . . . . 105 ALA HN . 11494 1 404 . 1 1 105 105 ALA C C 13 177.596 0.049 . 1 . . . . 105 ALA CO . 11494 1 405 . 1 1 105 105 ALA CA C 13 54.432 0.05 . 1 . . . . 105 ALA CA . 11494 1 406 . 1 1 105 105 ALA CB C 13 17.096 0.032 . 1 . . . . 105 ALA CB . 11494 1 407 . 1 1 105 105 ALA N N 15 116.26 0.056 . 1 . . . . 105 ALA N . 11494 1 408 . 1 1 106 106 LYS H H 1 7.496 0.004 . 1 . . . . 106 LYS HN . 11494 1 409 . 1 1 106 106 LYS C C 13 176.075 0.006 . 1 . . . . 106 LYS CO . 11494 1 410 . 1 1 106 106 LYS CA C 13 59.494 0.004 . 1 . . . . 106 LYS CA . 11494 1 411 . 1 1 106 106 LYS CB C 13 32.282 0 . 1 . . . . 106 LYS CB . 11494 1 412 . 1 1 106 106 LYS N N 15 117.33 0.042 . 1 . . . . 106 LYS N . 11494 1 413 . 1 1 107 107 ASP H H 1 8.277 0.005 . 1 . . . . 107 ASP HN . 11494 1 414 . 1 1 107 107 ASP C C 13 178.134 0.007 . 1 . . . . 107 ASP CO . 11494 1 415 . 1 1 107 107 ASP CA C 13 52.468 0.013 . 1 . . . . 107 ASP CA . 11494 1 416 . 1 1 107 107 ASP CB C 13 40.538 0.02 . 1 . . . . 107 ASP CB . 11494 1 417 . 1 1 107 107 ASP N N 15 120.702 0.058 . 1 . . . . 107 ASP N . 11494 1 418 . 1 1 108 108 THR H H 1 8.946 0.007 . 1 . . . . 108 THR HN . 11494 1 419 . 1 1 108 108 THR CA C 13 65.528 0 . 1 . . . . 108 THR CA . 11494 1 420 . 1 1 108 108 THR CB C 13 68.169 0 . 1 . . . . 108 THR CB . 11494 1 421 . 1 1 108 108 THR N N 15 123.687 0.04 . 1 . . . . 108 THR N . 11494 1 422 . 1 1 111 111 GLN C C 13 177.341 0 . 1 . . . . 111 GLN CO . 11494 1 423 . 1 1 111 111 GLN CA C 13 58.125 0 . 1 . . . . 111 GLN CA . 11494 1 424 . 1 1 112 112 GLN H H 1 8.059 0.004 . 1 . . . . 112 GLN HN . 11494 1 425 . 1 1 112 112 GLN C C 13 177.178 0 . 1 . . . . 112 GLN CO . 11494 1 426 . 1 1 112 112 GLN CA C 13 58.43 0.04 . 1 . . . . 112 GLN CA . 11494 1 427 . 1 1 112 112 GLN CB C 13 27.756 0.015 . 1 . . . . 112 GLN CB . 11494 1 428 . 1 1 112 112 GLN N N 15 118.377 0.061 . 1 . . . . 112 GLN N . 11494 1 429 . 1 1 113 113 ALA H H 1 8.381 0.003 . 1 . . . . 113 ALA HN . 11494 1 430 . 1 1 113 113 ALA C C 13 179.098 0.045 . 1 . . . . 113 ALA CO . 11494 1 431 . 1 1 113 113 ALA CA C 13 55.187 0 . 1 . . . . 113 ALA CA . 11494 1 432 . 1 1 113 113 ALA CB C 13 16.825 0 . 1 . . . . 113 ALA CB . 11494 1 433 . 1 1 113 113 ALA N N 15 120.675 0.061 . 1 . . . . 113 ALA N . 11494 1 434 . 1 1 114 114 GLN H H 1 7.873 0.002 . 1 . . . . 114 GLN HN . 11494 1 435 . 1 1 114 114 GLN CA C 13 60.93 0.027 . 1 . . . . 114 GLN CA . 11494 1 436 . 1 1 114 114 GLN CB C 13 28.623 0 . 1 . . . . 114 GLN CB . 11494 1 437 . 1 1 114 114 GLN N N 15 116.187 0.052 . 1 . . . . 114 GLN N . 11494 1 438 . 1 1 115 115 ASN H H 1 8.693 0.004 . 1 . . . . 115 ASN HN . 11494 1 439 . 1 1 115 115 ASN C C 13 177.148 0.012 . 1 . . . . 115 ASN CO . 11494 1 440 . 1 1 115 115 ASN CA C 13 55.793 0.021 . 1 . . . . 115 ASN CA . 11494 1 441 . 1 1 115 115 ASN CB C 13 37.111 0.001 . 1 . . . . 115 ASN CB . 11494 1 442 . 1 1 115 115 ASN N N 15 121.694 0.052 . 1 . . . . 115 ASN N . 11494 1 443 . 1 1 116 116 ASP H H 1 9.365 0.003 . 1 . . . . 116 ASP HN . 11494 1 444 . 1 1 116 116 ASP C C 13 179.327 0 . 1 . . . . 116 ASP CO . 11494 1 445 . 1 1 116 116 ASP CA C 13 56.892 0.002 . 1 . . . . 116 ASP CA . 11494 1 446 . 1 1 116 116 ASP CB C 13 40.143 0.033 . 1 . . . . 116 ASP CB . 11494 1 447 . 1 1 116 116 ASP N N 15 119.676 0.039 . 1 . . . . 116 ASP N . 11494 1 448 . 1 1 117 117 GLU H H 1 7.947 0.008 . 1 . . . . 117 GLU HN . 11494 1 449 . 1 1 117 117 GLU C C 13 175.58 0 . 1 . . . . 117 GLU CO . 11494 1 450 . 1 1 117 117 GLU CA C 13 58.318 0 . 1 . . . . 117 GLU CA . 11494 1 451 . 1 1 117 117 GLU N N 15 120.686 0.073 . 1 . . . . 117 GLU N . 11494 1 452 . 1 1 125 125 PRO C C 13 179.571 0 . 1 . . . . 125 PRO CO . 11494 1 453 . 1 1 125 125 PRO CA C 13 66.195 0 . 1 . . . . 125 PRO CA . 11494 1 454 . 1 1 125 125 PRO CB C 13 31.504 0 . 1 . . . . 125 PRO CB . 11494 1 455 . 1 1 126 126 ALA H H 1 7.297 0.005 . 1 . . . . 126 ALA HN . 11494 1 456 . 1 1 126 126 ALA C C 13 178.851 0.009 . 1 . . . . 126 ALA CO . 11494 1 457 . 1 1 126 126 ALA CA C 13 55.562 0.054 . 1 . . . . 126 ALA CA . 11494 1 458 . 1 1 126 126 ALA CB C 13 17.855 0.054 . 1 . . . . 126 ALA CB . 11494 1 459 . 1 1 126 126 ALA N N 15 119.099 0.058 . 1 . . . . 126 ALA N . 11494 1 460 . 1 1 127 127 VAL H H 1 8.465 0.002 . 1 . . . . 127 VAL HN . 11494 1 461 . 1 1 127 127 VAL C C 13 178.481 0.024 . 1 . . . . 127 VAL CO . 11494 1 462 . 1 1 127 127 VAL CA C 13 67.697 0.09 . 1 . . . . 127 VAL CA . 11494 1 463 . 1 1 127 127 VAL CB C 13 31.389 0 . 1 . . . . 127 VAL CB . 11494 1 464 . 1 1 127 127 VAL N N 15 118.35 0.072 . 1 . . . . 127 VAL N . 11494 1 465 . 1 1 128 128 SER H H 1 8.596 0.002 . 1 . . . . 128 SER HN . 11494 1 466 . 1 1 128 128 SER C C 13 178.044 0 . 1 . . . . 128 SER CO . 11494 1 467 . 1 1 128 128 SER CA C 13 62.079 0.097 . 1 . . . . 128 SER CA . 11494 1 468 . 1 1 128 128 SER CB C 13 59.255 0 . 1 . . . . 128 SER CB . 11494 1 469 . 1 1 128 128 SER N N 15 114.686 0.033 . 1 . . . . 128 SER N . 11494 1 470 . 1 1 129 129 GLN H H 1 7.93 0.005 . 1 . . . . 129 GLN HN . 11494 1 471 . 1 1 129 129 GLN C C 13 178.123 0.037 . 1 . . . . 129 GLN CO . 11494 1 472 . 1 1 129 129 GLN CA C 13 57.747 0.057 . 1 . . . . 129 GLN CA . 11494 1 473 . 1 1 129 129 GLN CB C 13 29.12 0.044 . 1 . . . . 129 GLN CB . 11494 1 474 . 1 1 129 129 GLN N N 15 122.482 0.007 . 1 . . . . 129 GLN N . 11494 1 475 . 1 1 130 130 ALA H H 1 8.515 0.006 . 1 . . . . 130 ALA HN . 11494 1 476 . 1 1 130 130 ALA C C 13 179.674 0.011 . 1 . . . . 130 ALA CO . 11494 1 477 . 1 1 130 130 ALA CA C 13 55.164 0.031 . 1 . . . . 130 ALA CA . 11494 1 478 . 1 1 130 130 ALA CB C 13 20.063 0.013 . 1 . . . . 130 ALA CB . 11494 1 479 . 1 1 130 130 ALA N N 15 122.549 0.05 . 1 . . . . 130 ALA N . 11494 1 480 . 1 1 131 131 LYS H H 1 8.696 0.006 . 1 . . . . 131 LYS HN . 11494 1 481 . 1 1 131 131 LYS C C 13 181.177 0.003 . 1 . . . . 131 LYS CO . 11494 1 482 . 1 1 131 131 LYS CA C 13 60.665 0.089 . 1 . . . . 131 LYS CA . 11494 1 483 . 1 1 131 131 LYS N N 15 118.875 0.056 . 1 . . . . 131 LYS N . 11494 1 484 . 1 1 132 132 ALA H H 1 8.179 0.005 . 1 . . . . 132 ALA HN . 11494 1 485 . 1 1 132 132 ALA C C 13 179.349 0.016 . 1 . . . . 132 ALA CO . 11494 1 486 . 1 1 132 132 ALA CA C 13 55.035 0.006 . 1 . . . . 132 ALA CA . 11494 1 487 . 1 1 132 132 ALA CB C 13 17.179 0.071 . 1 . . . . 132 ALA CB . 11494 1 488 . 1 1 132 132 ALA N N 15 124.87 0.062 . 1 . . . . 132 ALA N . 11494 1 489 . 1 1 133 133 ASP H H 1 7.671 0.003 . 1 . . . . 133 ASP HN . 11494 1 490 . 1 1 133 133 ASP C C 13 175.666 0.031 . 1 . . . . 133 ASP CO . 11494 1 491 . 1 1 133 133 ASP CB C 13 40.492 0.005 . 1 . . . . 133 ASP CB . 11494 1 492 . 1 1 133 133 ASP N N 15 118.246 0.053 . 1 . . . . 133 ASP N . 11494 1 493 . 1 1 134 134 GLY H H 1 7.965 0.007 . 1 . . . . 134 GLY HN . 11494 1 494 . 1 1 134 134 GLY C C 13 173.495 0.026 . 1 . . . . 134 GLY CO . 11494 1 495 . 1 1 134 134 GLY CA C 13 45.668 0.051 . 1 . . . . 134 GLY CA . 11494 1 496 . 1 1 134 134 GLY N N 15 109.251 0.031 . 1 . . . . 134 GLY N . 11494 1 497 . 1 1 135 135 LEU H H 1 7.836 0.005 . 1 . . . . 135 LEU HN . 11494 1 498 . 1 1 135 135 LEU C C 13 179.069 0.022 . 1 . . . . 135 LEU CO . 11494 1 499 . 1 1 135 135 LEU CA C 13 53.832 0.018 . 1 . . . . 135 LEU CA . 11494 1 500 . 1 1 135 135 LEU CB C 13 43.054 0.069 . 1 . . . . 135 LEU CB . 11494 1 501 . 1 1 135 135 LEU N N 15 117.326 0.053 . 1 . . . . 135 LEU N . 11494 1 502 . 1 1 136 136 ARG H H 1 9.972 0.004 . 1 . . . . 136 ARG HN . 11494 1 503 . 1 1 136 136 ARG C C 13 175.935 0.043 . 1 . . . . 136 ARG CO . 11494 1 504 . 1 1 136 136 ARG CA C 13 56.721 0.003 . 1 . . . . 136 ARG CA . 11494 1 505 . 1 1 136 136 ARG N N 15 125.228 0.035 . 1 . . . . 136 ARG N . 11494 1 506 . 1 1 137 137 ALA H H 1 8.982 0.005 . 1 . . . . 137 ALA HN . 11494 1 507 . 1 1 137 137 ALA C C 13 178.627 0.047 . 1 . . . . 137 ALA CO . 11494 1 508 . 1 1 137 137 ALA CA C 13 56.632 0.001 . 1 . . . . 137 ALA CA . 11494 1 509 . 1 1 137 137 ALA CB C 13 18.554 0.025 . 1 . . . . 137 ALA CB . 11494 1 510 . 1 1 137 137 ALA N N 15 119.871 0.073 . 1 . . . . 137 ALA N . 11494 1 511 . 1 1 138 138 LEU H H 1 8.217 0.004 . 1 . . . . 138 LEU HN . 11494 1 512 . 1 1 138 138 LEU C C 13 177.996 0.001 . 1 . . . . 138 LEU CO . 11494 1 513 . 1 1 138 138 LEU CA C 13 58.988 0.085 . 1 . . . . 138 LEU CA . 11494 1 514 . 1 1 138 138 LEU CB C 13 38.985 0 . 1 . . . . 138 LEU CB . 11494 1 515 . 1 1 138 138 LEU N N 15 117.55 0.058 . 1 . . . . 138 LEU N . 11494 1 516 . 1 1 139 139 GLY H H 1 9.492 0.004 . 1 . . . . 139 GLY HN . 11494 1 517 . 1 1 139 139 GLY C C 13 174.173 0.006 . 1 . . . . 139 GLY CO . 11494 1 518 . 1 1 139 139 GLY CA C 13 48.529 0.015 . 1 . . . . 139 GLY CA . 11494 1 519 . 1 1 139 139 GLY N N 15 109.799 0.018 . 1 . . . . 139 GLY N . 11494 1 520 . 1 1 140 140 GLN H H 1 8.144 0.004 . 1 . . . . 140 GLN HN . 11494 1 521 . 1 1 140 140 GLN C C 13 176.887 0.038 . 1 . . . . 140 GLN CO . 11494 1 522 . 1 1 140 140 GLN CA C 13 58.521 0.066 . 1 . . . . 140 GLN CA . 11494 1 523 . 1 1 140 140 GLN N N 15 119.449 0.016 . 1 . . . . 140 GLN N . 11494 1 524 . 1 1 141 141 PHE H H 1 8.777 0.003 . 1 . . . . 141 PHE HN . 11494 1 525 . 1 1 141 141 PHE C C 13 175.308 0.014 . 1 . . . . 141 PHE CO . 11494 1 526 . 1 1 141 141 PHE CA C 13 62.222 0.002 . 1 . . . . 141 PHE CA . 11494 1 527 . 1 1 141 141 PHE CB C 13 38.521 0 . 1 . . . . 141 PHE CB . 11494 1 528 . 1 1 141 141 PHE N N 15 119.349 0.024 . 1 . . . . 141 PHE N . 11494 1 529 . 1 1 142 142 ALA H H 1 9.201 0.003 . 1 . . . . 142 ALA HN . 11494 1 530 . 1 1 142 142 ALA C C 13 181.521 0.02 . 1 . . . . 142 ALA CO . 11494 1 531 . 1 1 142 142 ALA CA C 13 54.464 0.032 . 1 . . . . 142 ALA CA . 11494 1 532 . 1 1 142 142 ALA CB C 13 16.536 0.016 . 1 . . . . 142 ALA CB . 11494 1 533 . 1 1 142 142 ALA N N 15 123.167 0.074 . 1 . . . . 142 ALA N . 11494 1 534 . 1 1 143 143 TYR H H 1 8.126 0.004 . 1 . . . . 143 TYR HN . 11494 1 535 . 1 1 143 143 TYR C C 13 176.217 0.027 . 1 . . . . 143 TYR CO . 11494 1 536 . 1 1 143 143 TYR CA C 13 59.235 0.037 . 1 . . . . 143 TYR CA . 11494 1 537 . 1 1 143 143 TYR CB C 13 35.834 0.017 . 1 . . . . 143 TYR CB . 11494 1 538 . 1 1 143 143 TYR N N 15 119.236 0.059 . 1 . . . . 143 TYR N . 11494 1 539 . 1 1 144 144 TYR H H 1 7.845 0.002 . 1 . . . . 144 TYR HN . 11494 1 540 . 1 1 144 144 TYR C C 13 175.215 0.003 . 1 . . . . 144 TYR CO . 11494 1 541 . 1 1 144 144 TYR CA C 13 59.745 0.058 . 1 . . . . 144 TYR CA . 11494 1 542 . 1 1 144 144 TYR N N 15 121.817 0.019 . 1 . . . . 144 TYR N . 11494 1 543 . 1 1 145 145 ASP H H 1 8.909 0.004 . 1 . . . . 145 ASP HN . 11494 1 544 . 1 1 145 145 ASP C C 13 177.55 0.024 . 1 . . . . 145 ASP CO . 11494 1 545 . 1 1 145 145 ASP CA C 13 57.256 0.091 . 1 . . . . 145 ASP CA . 11494 1 546 . 1 1 145 145 ASP CB C 13 43.206 0.026 . 1 . . . . 145 ASP CB . 11494 1 547 . 1 1 145 145 ASP N N 15 117.691 0.027 . 1 . . . . 145 ASP N . 11494 1 548 . 1 1 146 146 ALA H H 1 7.34 0.004 . 1 . . . . 146 ALA HN . 11494 1 549 . 1 1 146 146 ALA C C 13 178.743 0.065 . 1 . . . . 146 ALA CO . 11494 1 550 . 1 1 146 146 ALA CA C 13 54.233 0.014 . 1 . . . . 146 ALA CA . 11494 1 551 . 1 1 146 146 ALA CB C 13 19.047 0.022 . 1 . . . . 146 ALA CB . 11494 1 552 . 1 1 146 146 ALA N N 15 114.428 0.074 . 1 . . . . 146 ALA N . 11494 1 553 . 1 1 147 147 ILE H H 1 8.551 0.007 . 1 . . . . 147 ILE HN . 11494 1 554 . 1 1 147 147 ILE C C 13 177.195 0 . 1 . . . . 147 ILE CO . 11494 1 555 . 1 1 147 147 ILE CA C 13 66.435 0 . 1 . . . . 147 ILE CA . 11494 1 556 . 1 1 147 147 ILE CB C 13 37.662 0 . 1 . . . . 147 ILE CB . 11494 1 557 . 1 1 147 147 ILE N N 15 122.348 0.082 . 1 . . . . 147 ILE N . 11494 1 558 . 1 1 152 152 PRO C C 13 176.972 0 . 1 . . . . 152 PRO CO . 11494 1 559 . 1 1 152 152 PRO CA C 13 62.772 0 . 1 . . . . 152 PRO CA . 11494 1 560 . 1 1 152 152 PRO CB C 13 32.72 0 . 1 . . . . 152 PRO CB . 11494 1 561 . 1 1 153 153 GLY H H 1 8.95 0.001 . 1 . . . . 153 GLY HN . 11494 1 562 . 1 1 153 153 GLY C C 13 173.32 0.002 . 1 . . . . 153 GLY CO . 11494 1 563 . 1 1 153 153 GLY CA C 13 44.493 0.045 . 1 . . . . 153 GLY CA . 11494 1 564 . 1 1 153 153 GLY N N 15 108.531 0.08 . 1 . . . . 153 GLY N . 11494 1 565 . 1 1 154 154 ASN H H 1 8.418 0.002 . 1 . . . . 154 ASN HN . 11494 1 566 . 1 1 154 154 ASN C C 13 175.386 0.003 . 1 . . . . 154 ASN CO . 11494 1 567 . 1 1 154 154 ASN CA C 13 52.893 0.054 . 1 . . . . 154 ASN CA . 11494 1 568 . 1 1 154 154 ASN CB C 13 39.82 0.043 . 1 . . . . 154 ASN CB . 11494 1 569 . 1 1 154 154 ASN N N 15 114.142 0.053 . 1 . . . . 154 ASN N . 11494 1 570 . 1 1 155 155 ASP H H 1 8.092 0.002 . 1 . . . . 155 ASP HN . 11494 1 571 . 1 1 155 155 ASP C C 13 175.149 0 . 1 . . . . 155 ASP CO . 11494 1 572 . 1 1 155 155 ASP CA C 13 54.234 0 . 1 . . . . 155 ASP CA . 11494 1 573 . 1 1 155 155 ASP CB C 13 38.588 0 . 1 . . . . 155 ASP CB . 11494 1 574 . 1 1 155 155 ASP N N 15 121.232 0.023 . 1 . . . . 155 ASP N . 11494 1 575 . 1 1 156 156 PRO C C 13 176.548 0 . 1 . . . . 156 PRO CO . 11494 1 576 . 1 1 156 156 PRO CA C 13 66.565 0 . 1 . . . . 156 PRO CA . 11494 1 577 . 1 1 156 156 PRO CB C 13 32.391 0 . 1 . . . . 156 PRO CB . 11494 1 578 . 1 1 157 157 THR H H 1 7.54 0.004 . 1 . . . . 157 THR HN . 11494 1 579 . 1 1 157 157 THR C C 13 173.718 0 . 1 . . . . 157 THR CO . 11494 1 580 . 1 1 157 157 THR CA C 13 60.256 0.045 . 1 . . . . 157 THR CA . 11494 1 581 . 1 1 157 157 THR CB C 13 68.015 0.017 . 1 . . . . 157 THR CB . 11494 1 582 . 1 1 157 157 THR N N 15 101.246 0.074 . 1 . . . . 157 THR N . 11494 1 583 . 1 1 158 158 SER H H 1 7.566 0.001 . 1 . . . . 158 SER HN . 11494 1 584 . 1 1 158 158 SER C C 13 173.818 0 . 1 . . . . 158 SER CO . 11494 1 585 . 1 1 158 158 SER CA C 13 58.168 0.006 . 1 . . . . 158 SER CA . 11494 1 586 . 1 1 158 158 SER N N 15 116.542 0.052 . 1 . . . . 158 SER N . 11494 1 587 . 1 1 159 159 PHE H H 1 8.972 0.003 . 1 . . . . 159 PHE HN . 11494 1 588 . 1 1 159 159 PHE C C 13 174.808 0.012 . 1 . . . . 159 PHE CO . 11494 1 589 . 1 1 159 159 PHE CA C 13 62.147 0.043 . 1 . . . . 159 PHE CA . 11494 1 590 . 1 1 159 159 PHE CB C 13 40.415 0 . 1 . . . . 159 PHE CB . 11494 1 591 . 1 1 159 159 PHE N N 15 120.089 0.053 . 1 . . . . 159 PHE N . 11494 1 592 . 1 1 160 160 GLY H H 1 8.213 0.008 . 1 . . . . 160 GLY HN . 11494 1 593 . 1 1 160 160 GLY C C 13 177.621 0.039 . 1 . . . . 160 GLY CO . 11494 1 594 . 1 1 160 160 GLY CA C 13 46.64 0.058 . 1 . . . . 160 GLY CA . 11494 1 595 . 1 1 160 160 GLY N N 15 104.13 0.036 . 1 . . . . 160 GLY N . 11494 1 596 . 1 1 161 161 GLY H H 1 6.986 0.003 . 1 . . . . 161 GLY HN . 11494 1 597 . 1 1 161 161 GLY C C 13 175.89 0.01 . 1 . . . . 161 GLY CO . 11494 1 598 . 1 1 161 161 GLY CA C 13 46.689 0.033 . 1 . . . . 161 GLY CA . 11494 1 599 . 1 1 161 161 GLY N N 15 110.066 0.004 . 1 . . . . 161 GLY N . 11494 1 600 . 1 1 162 162 ILE H H 1 7.998 0.001 . 1 . . . . 162 ILE HN . 11494 1 601 . 1 1 162 162 ILE C C 13 177.368 0.052 . 1 . . . . 162 ILE CO . 11494 1 602 . 1 1 162 162 ILE CA C 13 65.199 0.061 . 1 . . . . 162 ILE CA . 11494 1 603 . 1 1 162 162 ILE N N 15 125.629 0.034 . 1 . . . . 162 ILE N . 11494 1 604 . 1 1 163 163 ARG H H 1 7.748 0.005 . 1 . . . . 163 ARG HN . 11494 1 605 . 1 1 163 163 ARG C C 13 176.761 0 . 1 . . . . 163 ARG CO . 11494 1 606 . 1 1 163 163 ARG CA C 13 59.717 0 . 1 . . . . 163 ARG CA . 11494 1 607 . 1 1 163 163 ARG N N 15 118.497 0.038 . 1 . . . . 163 ARG N . 11494 1 608 . 1 1 173 173 PRO C C 13 179.516 0 . 1 . . . . 173 PRO CO . 11494 1 609 . 1 1 173 173 PRO CA C 13 66.295 0 . 1 . . . . 173 PRO CA . 11494 1 610 . 1 1 173 173 PRO CB C 13 30.514 0 . 1 . . . . 173 PRO CB . 11494 1 611 . 1 1 174 174 ALA H H 1 7.553 0.003 . 1 . . . . 174 ALA HN . 11494 1 612 . 1 1 174 174 ALA C C 13 179.1 0 . 1 . . . . 174 ALA CO . 11494 1 613 . 1 1 174 174 ALA CA C 13 54.931 0.046 . 1 . . . . 174 ALA CA . 11494 1 614 . 1 1 174 174 ALA CB C 13 17.794 0.079 . 1 . . . . 174 ALA CB . 11494 1 615 . 1 1 174 174 ALA N N 15 121.043 0.026 . 1 . . . . 174 ALA N . 11494 1 616 . 1 1 175 175 GLN H H 1 7.389 0.004 . 1 . . . . 175 GLN HN . 11494 1 617 . 1 1 175 175 GLN C C 13 175.745 0.014 . 1 . . . . 175 GLN CO . 11494 1 618 . 1 1 175 175 GLN CA C 13 54.96 0.017 . 1 . . . . 175 GLN CA . 11494 1 619 . 1 1 175 175 GLN CB C 13 29.662 0.055 . 1 . . . . 175 GLN CB . 11494 1 620 . 1 1 175 175 GLN N N 15 115.696 0.024 . 1 . . . . 175 GLN N . 11494 1 621 . 1 1 176 176 GLY H H 1 7.919 0.006 . 1 . . . . 176 GLY HN . 11494 1 622 . 1 1 176 176 GLY C C 13 174.77 0.043 . 1 . . . . 176 GLY CO . 11494 1 623 . 1 1 176 176 GLY CA C 13 44.928 0.036 . 1 . . . . 176 GLY CA . 11494 1 624 . 1 1 176 176 GLY N N 15 107.637 0.033 . 1 . . . . 176 GLY N . 11494 1 625 . 1 1 177 177 GLY H H 1 8.174 0.003 . 1 . . . . 177 GLY HN . 11494 1 626 . 1 1 177 177 GLY CA C 13 43.684 0 . 1 . . . . 177 GLY CA . 11494 1 627 . 1 1 177 177 GLY N N 15 108.735 0.017 . 1 . . . . 177 GLY N . 11494 1 628 . 1 1 187 187 LEU C C 13 179.025 0 . 1 . . . . 187 LEU CO . 11494 1 629 . 1 1 187 187 LEU CA C 13 57.581 0 . 1 . . . . 187 LEU CA . 11494 1 630 . 1 1 187 187 LEU CB C 13 39.261 0 . 1 . . . . 187 LEU CB . 11494 1 631 . 1 1 188 188 ASP H H 1 8.145 0.004 . 1 . . . . 188 ASP HN . 11494 1 632 . 1 1 188 188 ASP C C 13 178.882 0.006 . 1 . . . . 188 ASP CO . 11494 1 633 . 1 1 188 188 ASP CA C 13 57.381 0.043 . 1 . . . . 188 ASP CA . 11494 1 634 . 1 1 188 188 ASP CB C 13 39.491 0.035 . 1 . . . . 188 ASP CB . 11494 1 635 . 1 1 188 188 ASP N N 15 119.072 0.092 . 1 . . . . 188 ASP N . 11494 1 636 . 1 1 189 189 ALA H H 1 7.915 0.002 . 1 . . . . 189 ALA HN . 11494 1 637 . 1 1 189 189 ALA C C 13 179.623 0.03 . 1 . . . . 189 ALA CO . 11494 1 638 . 1 1 189 189 ALA CA C 13 54.31 0.06 . 1 . . . . 189 ALA CA . 11494 1 639 . 1 1 189 189 ALA CB C 13 18.118 0.034 . 1 . . . . 189 ALA CB . 11494 1 640 . 1 1 189 189 ALA N N 15 124.159 0.043 . 1 . . . . 189 ALA N . 11494 1 641 . 1 1 190 190 ARG H H 1 8.821 0.004 . 1 . . . . 190 ARG HN . 11494 1 642 . 1 1 190 190 ARG C C 13 178.33 0.058 . 1 . . . . 190 ARG CO . 11494 1 643 . 1 1 190 190 ARG CA C 13 59.757 0.071 . 1 . . . . 190 ARG CA . 11494 1 644 . 1 1 190 190 ARG N N 15 122.61 0.054 . 1 . . . . 190 ARG N . 11494 1 645 . 1 1 191 191 LYS H H 1 8.704 0.004 . 1 . . . . 191 LYS HN . 11494 1 646 . 1 1 191 191 LYS C C 13 177.238 0.055 . 1 . . . . 191 LYS CO . 11494 1 647 . 1 1 191 191 LYS CA C 13 60.204 0.021 . 1 . . . . 191 LYS CA . 11494 1 648 . 1 1 191 191 LYS CB C 13 32.916 0 . 1 . . . . 191 LYS CB . 11494 1 649 . 1 1 191 191 LYS N N 15 120.944 0.061 . 1 . . . . 191 LYS N . 11494 1 650 . 1 1 192 192 ALA H H 1 7.8 0.003 . 1 . . . . 192 ALA HN . 11494 1 651 . 1 1 192 192 ALA C C 13 180.253 0.091 . 1 . . . . 192 ALA CO . 11494 1 652 . 1 1 192 192 ALA CA C 13 54.911 0.065 . 1 . . . . 192 ALA CA . 11494 1 653 . 1 1 192 192 ALA CB C 13 17.452 0.091 . 1 . . . . 192 ALA CB . 11494 1 654 . 1 1 192 192 ALA N N 15 118.542 0.057 . 1 . . . . 192 ALA N . 11494 1 655 . 1 1 193 193 ALA H H 1 7.604 0.007 . 1 . . . . 193 ALA HN . 11494 1 656 . 1 1 193 193 ALA C C 13 180.266 0.093 . 1 . . . . 193 ALA CO . 11494 1 657 . 1 1 193 193 ALA CA C 13 55.047 0.046 . 1 . . . . 193 ALA CA . 11494 1 658 . 1 1 193 193 ALA CB C 13 17.776 0.015 . 1 . . . . 193 ALA CB . 11494 1 659 . 1 1 193 193 ALA N N 15 120.953 0.022 . 1 . . . . 193 ALA N . 11494 1 660 . 1 1 194 194 MET H H 1 8.235 0.003 . 1 . . . . 194 MET HN . 11494 1 661 . 1 1 194 194 MET C C 13 177.719 0.059 . 1 . . . . 194 MET CO . 11494 1 662 . 1 1 194 194 MET CA C 13 60.159 0.023 . 1 . . . . 194 MET CA . 11494 1 663 . 1 1 194 194 MET N N 15 118.892 0.039 . 1 . . . . 194 MET N . 11494 1 664 . 1 1 195 195 LEU H H 1 7.684 0.005 . 1 . . . . 195 LEU HN . 11494 1 665 . 1 1 195 195 LEU C C 13 178.537 0.015 . 1 . . . . 195 LEU CO . 11494 1 666 . 1 1 195 195 LEU CA C 13 55.966 0.011 . 1 . . . . 195 LEU CA . 11494 1 667 . 1 1 195 195 LEU CB C 13 41.594 0.065 . 1 . . . . 195 LEU CB . 11494 1 668 . 1 1 195 195 LEU N N 15 116.501 0.045 . 1 . . . . 195 LEU N . 11494 1 669 . 1 1 196 196 THR H H 1 7.79 0.005 . 1 . . . . 196 THR HN . 11494 1 670 . 1 1 196 196 THR C C 13 175.328 0.007 . 1 . . . . 196 THR CO . 11494 1 671 . 1 1 196 196 THR CA C 13 65.055 0.081 . 1 . . . . 196 THR CA . 11494 1 672 . 1 1 196 196 THR CB C 13 69.058 0.054 . 1 . . . . 196 THR CB . 11494 1 673 . 1 1 196 196 THR N N 15 115.424 0.053 . 1 . . . . 196 THR N . 11494 1 674 . 1 1 197 197 GLU H H 1 7.729 0.002 . 1 . . . . 197 GLU HN . 11494 1 675 . 1 1 197 197 GLU C C 13 176.544 0.013 . 1 . . . . 197 GLU CO . 11494 1 676 . 1 1 197 197 GLU CA C 13 57.394 0.018 . 1 . . . . 197 GLU CA . 11494 1 677 . 1 1 197 197 GLU CB C 13 29.812 0.008 . 1 . . . . 197 GLU CB . 11494 1 678 . 1 1 197 197 GLU N N 15 120.63 0.022 . 1 . . . . 197 GLU N . 11494 1 679 . 1 1 198 198 ALA H H 1 8.137 0.003 . 1 . . . . 198 ALA HN . 11494 1 680 . 1 1 198 198 ALA C C 13 176.768 0.02 . 1 . . . . 198 ALA CO . 11494 1 681 . 1 1 198 198 ALA CA C 13 52.796 0.025 . 1 . . . . 198 ALA CA . 11494 1 682 . 1 1 198 198 ALA CB C 13 18.638 0.05 . 1 . . . . 198 ALA CB . 11494 1 683 . 1 1 198 198 ALA N N 15 123.685 0.088 . 1 . . . . 198 ALA N . 11494 1 684 . 1 1 199 199 ALA H H 1 8.203 0.002 . 1 . . . . 199 ALA HN . 11494 1 685 . 1 1 199 199 ALA C C 13 178.138 0.001 . 1 . . . . 199 ALA CO . 11494 1 686 . 1 1 199 199 ALA CA C 13 54.154 0.059 . 1 . . . . 199 ALA CA . 11494 1 687 . 1 1 199 199 ALA CB C 13 18.653 0.063 . 1 . . . . 199 ALA CB . 11494 1 688 . 1 1 199 199 ALA N N 15 122.662 0.057 . 1 . . . . 199 ALA N . 11494 1 689 . 1 1 200 200 HIS H H 1 8.345 0.002 . 1 . . . . 200 HIS HN . 11494 1 690 . 1 1 200 200 HIS C C 13 173.859 0.007 . 1 . . . . 200 HIS CO . 11494 1 691 . 1 1 200 200 HIS CA C 13 53.764 0.036 . 1 . . . . 200 HIS CA . 11494 1 692 . 1 1 200 200 HIS CB C 13 28.547 0.065 . 1 . . . . 200 HIS CB . 11494 1 693 . 1 1 200 200 HIS N N 15 113.588 0.032 . 1 . . . . 200 HIS N . 11494 1 694 . 1 1 201 201 ASP H H 1 7.542 0.003 . 1 . . . . 201 ASP HN . 11494 1 695 . 1 1 201 201 ASP C C 13 175.787 0.019 . 1 . . . . 201 ASP CO . 11494 1 696 . 1 1 201 201 ASP CA C 13 54.406 0.044 . 1 . . . . 201 ASP CA . 11494 1 697 . 1 1 201 201 ASP CB C 13 41.051 0.029 . 1 . . . . 201 ASP CB . 11494 1 698 . 1 1 201 201 ASP N N 15 119.769 0.047 . 1 . . . . 201 ASP N . 11494 1 699 . 1 1 202 202 ASP H H 1 8.214 0.002 . 1 . . . . 202 ASP HN . 11494 1 700 . 1 1 202 202 ASP C C 13 176.815 0.024 . 1 . . . . 202 ASP CO . 11494 1 701 . 1 1 202 202 ASP CA C 13 54.752 0.086 . 1 . . . . 202 ASP CA . 11494 1 702 . 1 1 202 202 ASP CB C 13 43.547 0.046 . 1 . . . . 202 ASP CB . 11494 1 703 . 1 1 202 202 ASP N N 15 120.816 0.064 . 1 . . . . 202 ASP N . 11494 1 704 . 1 1 203 203 THR H H 1 8.586 0.006 . 1 . . . . 203 THR HN . 11494 1 705 . 1 1 203 203 THR C C 13 177.048 0 . 1 . . . . 203 THR CO . 11494 1 706 . 1 1 203 203 THR CA C 13 60.916 0.004 . 1 . . . . 203 THR CA . 11494 1 707 . 1 1 203 203 THR CB C 13 67.516 0 . 1 . . . . 203 THR CB . 11494 1 708 . 1 1 203 203 THR N N 15 113.894 0.05 . 1 . . . . 203 THR N . 11494 1 709 . 1 1 204 204 SER H H 1 9.318 0.003 . 1 . . . . 204 SER HN . 11494 1 710 . 1 1 204 204 SER CA C 13 63.474 0 . 1 . . . . 204 SER CA . 11494 1 711 . 1 1 204 204 SER N N 15 125.917 0.051 . 1 . . . . 204 SER N . 11494 1 712 . 1 1 208 208 THR C C 13 178.021 0 . 1 . . . . 208 THR CO . 11494 1 713 . 1 1 208 208 THR CB C 13 66.343 0 . 1 . . . . 208 THR CB . 11494 1 714 . 1 1 209 209 GLU H H 1 7.594 0.007 . 1 . . . . 209 GLU HN . 11494 1 715 . 1 1 209 209 GLU C C 13 177.86 0.027 . 1 . . . . 209 GLU CO . 11494 1 716 . 1 1 209 209 GLU CA C 13 58.149 0.023 . 1 . . . . 209 GLU CA . 11494 1 717 . 1 1 209 209 GLU CB C 13 32.261 0.004 . 1 . . . . 209 GLU CB . 11494 1 718 . 1 1 209 209 GLU N N 15 118.739 0.049 . 1 . . . . 209 GLU N . 11494 1 719 . 1 1 210 210 GLN H H 1 7.377 0.002 . 1 . . . . 210 GLN HN . 11494 1 720 . 1 1 210 210 GLN C C 13 176.209 0.004 . 1 . . . . 210 GLN CO . 11494 1 721 . 1 1 210 210 GLN CA C 13 56.557 0.056 . 1 . . . . 210 GLN CA . 11494 1 722 . 1 1 210 210 GLN CB C 13 33.489 0 . 1 . . . . 210 GLN CB . 11494 1 723 . 1 1 210 210 GLN N N 15 118.154 0.04 . 1 . . . . 210 GLN N . 11494 1 724 . 1 1 211 211 ARG H H 1 8.384 0.002 . 1 . . . . 211 ARG HN . 11494 1 725 . 1 1 211 211 ARG C C 13 173.739 0.015 . 1 . . . . 211 ARG CO . 11494 1 726 . 1 1 211 211 ARG CA C 13 51.192 0.025 . 1 . . . . 211 ARG CA . 11494 1 727 . 1 1 211 211 ARG CB C 13 22.268 0.068 . 1 . . . . 211 ARG CB . 11494 1 728 . 1 1 211 211 ARG N N 15 123.172 0.049 . 1 . . . . 211 ARG N . 11494 1 729 . 1 1 212 212 VAL H H 1 7.916 0.003 . 1 . . . . 212 VAL HN . 11494 1 730 . 1 1 212 212 VAL C C 13 179.053 0 . 1 . . . . 212 VAL CO . 11494 1 731 . 1 1 212 212 VAL CA C 13 55.001 0 . 1 . . . . 212 VAL CA . 11494 1 732 . 1 1 212 212 VAL CB C 13 31.288 0.008 . 1 . . . . 212 VAL CB . 11494 1 733 . 1 1 212 212 VAL N N 15 116.676 0.05 . 1 . . . . 212 VAL N . 11494 1 734 . 1 1 213 213 PHE H H 1 7.574 0.003 . 1 . . . . 213 PHE HN . 11494 1 735 . 1 1 213 213 PHE C C 13 177.649 0.019 . 1 . . . . 213 PHE CO . 11494 1 736 . 1 1 213 213 PHE CA C 13 56.656 0.053 . 1 . . . . 213 PHE CA . 11494 1 737 . 1 1 213 213 PHE CB C 13 37.281 0.024 . 1 . . . . 213 PHE CB . 11494 1 738 . 1 1 213 213 PHE N N 15 119.959 0.011 . 1 . . . . 213 PHE N . 11494 1 739 . 1 1 214 214 LEU H H 1 7.833 0.003 . 1 . . . . 214 LEU HN . 11494 1 740 . 1 1 214 214 LEU C C 13 180.229 0.052 . 1 . . . . 214 LEU CO . 11494 1 741 . 1 1 214 214 LEU CA C 13 57.68 0.038 . 1 . . . . 214 LEU CA . 11494 1 742 . 1 1 214 214 LEU CB C 13 42.437 0 . 1 . . . . 214 LEU CB . 11494 1 743 . 1 1 214 214 LEU N N 15 118.849 0.052 . 1 . . . . 214 LEU N . 11494 1 744 . 1 1 215 215 LYS H H 1 8.705 0.004 . 1 . . . . 215 LYS HN . 11494 1 745 . 1 1 215 215 LYS C C 13 177.656 0.027 . 1 . . . . 215 LYS CO . 11494 1 746 . 1 1 215 215 LYS CA C 13 59.06 0.031 . 1 . . . . 215 LYS CA . 11494 1 747 . 1 1 215 215 LYS CB C 13 32 0.049 . 1 . . . . 215 LYS CB . 11494 1 748 . 1 1 215 215 LYS N N 15 122.635 0.064 . 1 . . . . 215 LYS N . 11494 1 749 . 1 1 216 216 ALA H H 1 7.494 0.002 . 1 . . . . 216 ALA HN . 11494 1 750 . 1 1 216 216 ALA C C 13 177.894 0.038 . 1 . . . . 216 ALA CO . 11494 1 751 . 1 1 216 216 ALA CA C 13 52.145 0.095 . 1 . . . . 216 ALA CA . 11494 1 752 . 1 1 216 216 ALA CB C 13 18.671 0.078 . 1 . . . . 216 ALA CB . 11494 1 753 . 1 1 216 216 ALA N N 15 117.725 0.074 . 1 . . . . 216 ALA N . 11494 1 754 . 1 1 217 217 GLY H H 1 8.137 0.003 . 1 . . . . 217 GLY HN . 11494 1 755 . 1 1 217 217 GLY C C 13 175.534 0.006 . 1 . . . . 217 GLY CO . 11494 1 756 . 1 1 217 217 GLY CA C 13 45.029 0.081 . 1 . . . . 217 GLY CA . 11494 1 757 . 1 1 217 217 GLY N N 15 107.6 0.044 . 1 . . . . 217 GLY N . 11494 1 758 . 1 1 218 218 ASN H H 1 8.15 0.004 . 1 . . . . 218 ASN HN . 11494 1 759 . 1 1 218 218 ASN C C 13 176.143 0.015 . 1 . . . . 218 ASN CO . 11494 1 760 . 1 1 218 218 ASN CA C 13 50.671 0.048 . 1 . . . . 218 ASN CA . 11494 1 761 . 1 1 218 218 ASN CB C 13 35.615 0.013 . 1 . . . . 218 ASN CB . 11494 1 762 . 1 1 218 218 ASN N N 15 120.873 0.036 . 1 . . . . 218 ASN N . 11494 1 763 . 1 1 219 219 LEU H H 1 7.841 0.004 . 1 . . . . 219 LEU HN . 11494 1 764 . 1 1 219 219 LEU C C 13 177.844 0.059 . 1 . . . . 219 LEU CO . 11494 1 765 . 1 1 219 219 LEU CA C 13 57.462 0.082 . 1 . . . . 219 LEU CA . 11494 1 766 . 1 1 219 219 LEU CB C 13 41.363 0.006 . 1 . . . . 219 LEU CB . 11494 1 767 . 1 1 219 219 LEU N N 15 120.235 0.049 . 1 . . . . 219 LEU N . 11494 1 768 . 1 1 220 220 ASP H H 1 8.823 0.002 . 1 . . . . 220 ASP HN . 11494 1 769 . 1 1 220 220 ASP C C 13 173.445 0 . 1 . . . . 220 ASP CO . 11494 1 770 . 1 1 220 220 ASP CA C 13 54.333 0.037 . 1 . . . . 220 ASP CA . 11494 1 771 . 1 1 220 220 ASP CB C 13 41.147 0.084 . 1 . . . . 220 ASP CB . 11494 1 772 . 1 1 220 220 ASP N N 15 116.198 0.031 . 1 . . . . 220 ASP N . 11494 1 773 . 1 1 221 221 LEU H H 1 7.582 0.003 . 1 . . . . 221 LEU HN . 11494 1 774 . 1 1 221 221 LEU C C 13 173.378 0 . 1 . . . . 221 LEU CO . 11494 1 775 . 1 1 221 221 LEU CA C 13 54.228 0 . 1 . . . . 221 LEU CA . 11494 1 776 . 1 1 221 221 LEU CB C 13 42.68 0.03 . 1 . . . . 221 LEU CB . 11494 1 777 . 1 1 221 221 LEU N N 15 123.205 0.033 . 1 . . . . 221 LEU N . 11494 1 778 . 1 1 222 222 ASN H H 1 8.719 0.004 . 1 . . . . 222 ASN HN . 11494 1 779 . 1 1 222 222 ASN C C 13 174.272 0 . 1 . . . . 222 ASN CO . 11494 1 780 . 1 1 222 222 ASN CA C 13 49.872 0 . 1 . . . . 222 ASN CA . 11494 1 781 . 1 1 222 222 ASN CB C 13 38.933 0 . 1 . . . . 222 ASN CB . 11494 1 782 . 1 1 222 222 ASN N N 15 116.904 0.032 . 1 . . . . 222 ASN N . 11494 1 783 . 1 1 224 224 PRO C C 13 175.796 0 . 1 . . . . 224 PRO CO . 11494 1 784 . 1 1 224 224 PRO CA C 13 61.976 0 . 1 . . . . 224 PRO CA . 11494 1 785 . 1 1 224 224 PRO CB C 13 34.613 0 . 1 . . . . 224 PRO CB . 11494 1 786 . 1 1 225 225 LEU H H 1 9.03 0.002 . 1 . . . . 225 LEU HN . 11494 1 787 . 1 1 225 225 LEU C C 13 174.817 0.035 . 1 . . . . 225 LEU CO . 11494 1 788 . 1 1 225 225 LEU CA C 13 53.39 0.036 . 1 . . . . 225 LEU CA . 11494 1 789 . 1 1 225 225 LEU N N 15 123.824 0.037 . 1 . . . . 225 LEU N . 11494 1 790 . 1 1 226 226 LYS H H 1 8.556 0.002 . 1 . . . . 226 LYS HN . 11494 1 791 . 1 1 226 226 LYS C C 13 175.257 0.002 . 1 . . . . 226 LYS CO . 11494 1 792 . 1 1 226 226 LYS CA C 13 55.809 0.087 . 1 . . . . 226 LYS CA . 11494 1 793 . 1 1 226 226 LYS CB C 13 34.712 0.051 . 1 . . . . 226 LYS CB . 11494 1 794 . 1 1 226 226 LYS N N 15 122.249 0.061 . 1 . . . . 226 LYS N . 11494 1 795 . 1 1 227 227 TRP H H 1 8.681 0.003 . 1 . . . . 227 TRP HN . 11494 1 796 . 1 1 227 227 TRP C C 13 172.381 0.03 . 1 . . . . 227 TRP CO . 11494 1 797 . 1 1 227 227 TRP CA C 13 56.731 0.054 . 1 . . . . 227 TRP CA . 11494 1 798 . 1 1 227 227 TRP CB C 13 32.325 0.036 . 1 . . . . 227 TRP CB . 11494 1 799 . 1 1 227 227 TRP N N 15 125.253 0.012 . 1 . . . . 227 TRP N . 11494 1 800 . 1 1 228 228 LYS H H 1 7.769 0.005 . 1 . . . . 228 LYS HN . 11494 1 801 . 1 1 228 228 LYS C C 13 178.286 0.082 . 1 . . . . 228 LYS CO . 11494 1 802 . 1 1 228 228 LYS CA C 13 54.957 0.051 . 1 . . . . 228 LYS CA . 11494 1 803 . 1 1 228 228 LYS N N 15 115.526 0.054 . 1 . . . . 228 LYS N . 11494 1 804 . 1 1 229 229 THR H H 1 8.386 0.005 . 1 . . . . 229 THR HN . 11494 1 805 . 1 1 229 229 THR C C 13 174.312 0 . 1 . . . . 229 THR CO . 11494 1 806 . 1 1 229 229 THR CA C 13 60.056 0.013 . 1 . . . . 229 THR CA . 11494 1 807 . 1 1 229 229 THR CB C 13 70.106 0.024 . 1 . . . . 229 THR CB . 11494 1 808 . 1 1 229 229 THR N N 15 111.673 0.029 . 1 . . . . 229 THR N . 11494 1 809 . 1 1 230 230 TYR H H 1 8.892 0.001 . 1 . . . . 230 TYR HN . 11494 1 810 . 1 1 230 230 TYR C C 13 175.378 0.006 . 1 . . . . 230 TYR CO . 11494 1 811 . 1 1 230 230 TYR CA C 13 58.557 0 . 1 . . . . 230 TYR CA . 11494 1 812 . 1 1 230 230 TYR CB C 13 35.448 0 . 1 . . . . 230 TYR CB . 11494 1 813 . 1 1 230 230 TYR N N 15 121.869 0 . 1 . . . . 230 TYR N . 11494 1 814 . 1 1 231 231 GLY H H 1 8.276 0.007 . 1 . . . . 231 GLY HN . 11494 1 815 . 1 1 231 231 GLY C C 13 173.276 0.012 . 1 . . . . 231 GLY CO . 11494 1 816 . 1 1 231 231 GLY CA C 13 45.012 0.067 . 1 . . . . 231 GLY CA . 11494 1 817 . 1 1 231 231 GLY N N 15 103.714 0.028 . 1 . . . . 231 GLY N . 11494 1 818 . 1 1 232 232 ASP H H 1 8.59 0.006 . 1 . . . . 232 ASP HN . 11494 1 819 . 1 1 232 232 ASP C C 13 172.646 0 . 1 . . . . 232 ASP CO . 11494 1 820 . 1 1 232 232 ASP CA C 13 51.608 0.034 . 1 . . . . 232 ASP CA . 11494 1 821 . 1 1 232 232 ASP CB C 13 40.524 0 . 1 . . . . 232 ASP CB . 11494 1 822 . 1 1 232 232 ASP N N 15 124.213 0.061 . 1 . . . . 232 ASP N . 11494 1 823 . 1 1 233 233 PRO C C 13 175.845 0 . 1 . . . . 233 PRO CO . 11494 1 824 . 1 1 233 233 PRO CA C 13 61.59 0 . 1 . . . . 233 PRO CA . 11494 1 825 . 1 1 233 233 PRO CB C 13 32.455 0 . 1 . . . . 233 PRO CB . 11494 1 826 . 1 1 234 234 TYR H H 1 8.273 0.002 . 1 . . . . 234 TYR HN . 11494 1 827 . 1 1 234 234 TYR C C 13 174.242 0.008 . 1 . . . . 234 TYR CO . 11494 1 828 . 1 1 234 234 TYR CA C 13 57.455 0.034 . 1 . . . . 234 TYR CA . 11494 1 829 . 1 1 234 234 TYR CB C 13 42.228 0.084 . 1 . . . . 234 TYR CB . 11494 1 830 . 1 1 234 234 TYR N N 15 118.984 0.019 . 1 . . . . 234 TYR N . 11494 1 831 . 1 1 235 235 VAL H H 1 7.977 0.005 . 1 . . . . 235 VAL HN . 11494 1 832 . 1 1 235 235 VAL C C 13 174.694 0.002 . 1 . . . . 235 VAL CO . 11494 1 833 . 1 1 235 235 VAL CA C 13 59.876 0.059 . 1 . . . . 235 VAL CA . 11494 1 834 . 1 1 235 235 VAL CB C 13 35.746 0.026 . 1 . . . . 235 VAL CB . 11494 1 835 . 1 1 235 235 VAL N N 15 117.728 0.047 . 1 . . . . 235 VAL N . 11494 1 836 . 1 1 236 236 ILE H H 1 8.901 0.005 . 1 . . . . 236 ILE HN . 11494 1 837 . 1 1 236 236 ILE C C 13 176.014 0 . 1 . . . . 236 ILE CO . 11494 1 838 . 1 1 236 236 ILE CA C 13 61.789 0.026 . 1 . . . . 236 ILE CA . 11494 1 839 . 1 1 236 236 ILE CB C 13 42.356 0.001 . 1 . . . . 236 ILE CB . 11494 1 840 . 1 1 236 236 ILE N N 15 124.41 0.048 . 1 . . . . 236 ILE N . 11494 1 841 . 1 1 237 237 ASN H H 1 9.35 0.003 . 1 . . . . 237 ASN HN . 11494 1 842 . 1 1 237 237 ASN C C 13 174.246 0.074 . 1 . . . . 237 ASN CO . 11494 1 843 . 1 1 237 237 ASN CA C 13 55.275 0.062 . 1 . . . . 237 ASN CA . 11494 1 844 . 1 1 237 237 ASN CB C 13 40.275 0.034 . 1 . . . . 237 ASN CB . 11494 1 845 . 1 1 237 237 ASN N N 15 125.944 0.027 . 1 . . . . 237 ASN N . 11494 1 846 . 1 1 238 238 SER H H 1 7.588 0.003 . 1 . . . . 238 SER HN . 11494 1 847 . 1 1 238 238 SER C C 13 176.917 0 . 1 . . . . 238 SER CO . 11494 1 848 . 1 1 238 238 SER CA C 13 59.569 0 . 1 . . . . 238 SER CA . 11494 1 849 . 1 1 238 238 SER CB C 13 64.612 0 . 1 . . . . 238 SER CB . 11494 1 850 . 1 1 238 238 SER N N 15 116.715 0.074 . 1 . . . . 238 SER N . 11494 1 stop_ save_