data_11467 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11467 _Entry.Title ; Family GH19 chitinase from Rye seeds ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-19 _Entry.Accession_date 2011-12-20 _Entry.Last_release_date 2012-03-06 _Entry.Original_release_date 2012-03-06 _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 Yoko Okazaki . . . 11467 2 Shoko Shinya . . . 11467 3 Takayuki Ohnuma . . . 11467 4 Tamo Fukamizo . . . 11467 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11467 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 11467 '15N chemical shifts' 194 11467 '1H chemical shifts' 194 11467 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 . . 2012-03-06 2011-12-19 original author . 11467 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11467 _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 'chitinoligosaccharide binding mode of Family GH19 chitinase from rye seeds' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _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 Yoko Okazaki . . . 11467 1 2 Shoko Shinya . . . 11467 1 3 Takayuki Ohnuma . . . 11467 1 4 Tamo Fukamizo . . . 11467 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11467 _Assembly.ID 1 _Assembly.Name 'Family GH19 chitinase from Rye seeds' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Family GH19 chitinase' 1 $RSC-c A . yes native no no . . . 11467 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'Family GH19 chitinase' 1 CYS 23 23 SG . 1 'Family GH19 chitinase' 1 CYS 85 85 SG . . 23 CYS . . . 85 CYS . 11467 1 2 disulfide single . 1 'Family GH19 chitinase' 1 CYS 97 97 SG . 1 'Family GH19 chitinase' 1 CYS 105 105 SG . . 97 CYS . . . 105 CYS . 11467 1 3 disulfide single . 1 'Family GH19 chitinase' 1 CYS 223 223 SG . 1 'Family GH19 chitinase' 1 CYS 236 236 SG . . 223 CYS . . . 236 CYS . 11467 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . 5 1 1 CYS 223 223 HG . 223 CYS HG 11467 1 . 6 1 1 CYS 236 236 HG . 236 CYS HG 11467 1 . 3 1 1 CYS 97 97 HG . 97 CYS HG 11467 1 . 4 1 1 CYS 105 105 HG . 105 CYS HG 11467 1 . 1 1 1 CYS 23 23 HG . 23 CYS HG 11467 1 . 2 1 1 CYS 85 85 HG . 85 CYS HG 11467 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RSC-c _Entity.Sf_category entity _Entity.Sf_framecode RSC-c _Entity.Entry_ID 11467 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RSC-c _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 ; SVSSIISHAQFDRMLLHRND GACQAKGFYTYDAFVAAANA FPGFGATGSTDARKRDVAAF LAQTSHETTGGWATAPDGAF AWGYCFKQERGAAADYCTPS AQWPCAPGKRYYGRGPIQLS HNYNYGPAGRAIGVDLLRNP DLVATDPTVSFKTALWFWMT AQAPKPSSHAVITGKWSPSG ADRAAGRAPGFGVITNIING GLECGHGQDSRVADRIGFYK RYCDILGVGYGDNLDCYNQR PFA ; _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 243 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _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 PDB 4DWX . "Crystal Structure Of A Family Gh-19 Chitinase From Rye Seeds" . . . . . 100.00 244 100.00 100.00 1.89e-177 . . . . 11467 1 2 no PDB 4DYG . "Crystal Structure Of A Family Gh-19 Chitinase From Rye Seeds In Complex With (glcnac)4" . . . . . 100.00 244 100.00 100.00 1.89e-177 . . . . 11467 1 3 no PDB 4J0L . "Crystal Structure Of A Family Gh19 Chitinase (w72a/e67q Mutant) From Rye Seeds In Complex With Two (glcnac)4 Molecules" . . . . . 100.00 244 99.18 99.59 2.46e-175 . . . . 11467 1 4 no DBJ BAB18520 . "seed chitinase-c [Secale cereale]" . . . . . 100.00 266 100.00 100.00 2.97e-178 . . . . 11467 1 5 no SP Q9FRV0 . "RecName: Full=Basic endochitinase C; AltName: Full=Rye seed chitinase-c; Short=RSC-c; Flags: Precursor" . . . . . 100.00 266 100.00 100.00 2.97e-178 . . . . 11467 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 . SER . 11467 1 2 . VAL . 11467 1 3 . SER . 11467 1 4 . SER . 11467 1 5 . ILE . 11467 1 6 . ILE . 11467 1 7 . SER . 11467 1 8 . HIS . 11467 1 9 . ALA . 11467 1 10 . GLN . 11467 1 11 . PHE . 11467 1 12 . ASP . 11467 1 13 . ARG . 11467 1 14 . MET . 11467 1 15 . LEU . 11467 1 16 . LEU . 11467 1 17 . HIS . 11467 1 18 . ARG . 11467 1 19 . ASN . 11467 1 20 . ASP . 11467 1 21 . GLY . 11467 1 22 . ALA . 11467 1 23 . CYS . 11467 1 24 . GLN . 11467 1 25 . ALA . 11467 1 26 . LYS . 11467 1 27 . GLY . 11467 1 28 . PHE . 11467 1 29 . TYR . 11467 1 30 . THR . 11467 1 31 . TYR . 11467 1 32 . ASP . 11467 1 33 . ALA . 11467 1 34 . PHE . 11467 1 35 . VAL . 11467 1 36 . ALA . 11467 1 37 . ALA . 11467 1 38 . ALA . 11467 1 39 . ASN . 11467 1 40 . ALA . 11467 1 41 . PHE . 11467 1 42 . PRO . 11467 1 43 . GLY . 11467 1 44 . PHE . 11467 1 45 . GLY . 11467 1 46 . ALA . 11467 1 47 . THR . 11467 1 48 . GLY . 11467 1 49 . SER . 11467 1 50 . THR . 11467 1 51 . ASP . 11467 1 52 . ALA . 11467 1 53 . ARG . 11467 1 54 . LYS . 11467 1 55 . ARG . 11467 1 56 . ASP . 11467 1 57 . VAL . 11467 1 58 . ALA . 11467 1 59 . ALA . 11467 1 60 . PHE . 11467 1 61 . LEU . 11467 1 62 . ALA . 11467 1 63 . GLN . 11467 1 64 . THR . 11467 1 65 . SER . 11467 1 66 . HIS . 11467 1 67 . GLU . 11467 1 68 . THR . 11467 1 69 . THR . 11467 1 70 . GLY . 11467 1 71 . GLY . 11467 1 72 . TRP . 11467 1 73 . ALA . 11467 1 74 . THR . 11467 1 75 . ALA . 11467 1 76 . PRO . 11467 1 77 . ASP . 11467 1 78 . GLY . 11467 1 79 . ALA . 11467 1 80 . PHE . 11467 1 81 . ALA . 11467 1 82 . TRP . 11467 1 83 . GLY . 11467 1 84 . TYR . 11467 1 85 . CYS . 11467 1 86 . PHE . 11467 1 87 . LYS . 11467 1 88 . GLN . 11467 1 89 . GLU . 11467 1 90 . ARG . 11467 1 91 . GLY . 11467 1 92 . ALA . 11467 1 93 . ALA . 11467 1 94 . ALA . 11467 1 95 . ASP . 11467 1 96 . TYR . 11467 1 97 . CYS . 11467 1 98 . THR . 11467 1 99 . PRO . 11467 1 100 . SER . 11467 1 101 . ALA . 11467 1 102 . GLN . 11467 1 103 . TRP . 11467 1 104 . PRO . 11467 1 105 . CYS . 11467 1 106 . ALA . 11467 1 107 . PRO . 11467 1 108 . GLY . 11467 1 109 . LYS . 11467 1 110 . ARG . 11467 1 111 . TYR . 11467 1 112 . TYR . 11467 1 113 . GLY . 11467 1 114 . ARG . 11467 1 115 . GLY . 11467 1 116 . PRO . 11467 1 117 . ILE . 11467 1 118 . GLN . 11467 1 119 . LEU . 11467 1 120 . SER . 11467 1 121 . HIS . 11467 1 122 . ASN . 11467 1 123 . TYR . 11467 1 124 . ASN . 11467 1 125 . TYR . 11467 1 126 . GLY . 11467 1 127 . PRO . 11467 1 128 . ALA . 11467 1 129 . GLY . 11467 1 130 . ARG . 11467 1 131 . ALA . 11467 1 132 . ILE . 11467 1 133 . GLY . 11467 1 134 . VAL . 11467 1 135 . ASP . 11467 1 136 . LEU . 11467 1 137 . LEU . 11467 1 138 . ARG . 11467 1 139 . ASN . 11467 1 140 . PRO . 11467 1 141 . ASP . 11467 1 142 . LEU . 11467 1 143 . VAL . 11467 1 144 . ALA . 11467 1 145 . THR . 11467 1 146 . ASP . 11467 1 147 . PRO . 11467 1 148 . THR . 11467 1 149 . VAL . 11467 1 150 . SER . 11467 1 151 . PHE . 11467 1 152 . LYS . 11467 1 153 . THR . 11467 1 154 . ALA . 11467 1 155 . LEU . 11467 1 156 . TRP . 11467 1 157 . PHE . 11467 1 158 . TRP . 11467 1 159 . MET . 11467 1 160 . THR . 11467 1 161 . ALA . 11467 1 162 . GLN . 11467 1 163 . ALA . 11467 1 164 . PRO . 11467 1 165 . LYS . 11467 1 166 . PRO . 11467 1 167 . SER . 11467 1 168 . SER . 11467 1 169 . HIS . 11467 1 170 . ALA . 11467 1 171 . VAL . 11467 1 172 . ILE . 11467 1 173 . THR . 11467 1 174 . GLY . 11467 1 175 . LYS . 11467 1 176 . TRP . 11467 1 177 . SER . 11467 1 178 . PRO . 11467 1 179 . SER . 11467 1 180 . GLY . 11467 1 181 . ALA . 11467 1 182 . ASP . 11467 1 183 . ARG . 11467 1 184 . ALA . 11467 1 185 . ALA . 11467 1 186 . GLY . 11467 1 187 . ARG . 11467 1 188 . ALA . 11467 1 189 . PRO . 11467 1 190 . GLY . 11467 1 191 . PHE . 11467 1 192 . GLY . 11467 1 193 . VAL . 11467 1 194 . ILE . 11467 1 195 . THR . 11467 1 196 . ASN . 11467 1 197 . ILE . 11467 1 198 . ILE . 11467 1 199 . ASN . 11467 1 200 . GLY . 11467 1 201 . GLY . 11467 1 202 . LEU . 11467 1 203 . GLU . 11467 1 204 . CYS . 11467 1 205 . GLY . 11467 1 206 . HIS . 11467 1 207 . GLY . 11467 1 208 . GLN . 11467 1 209 . ASP . 11467 1 210 . SER . 11467 1 211 . ARG . 11467 1 212 . VAL . 11467 1 213 . ALA . 11467 1 214 . ASP . 11467 1 215 . ARG . 11467 1 216 . ILE . 11467 1 217 . GLY . 11467 1 218 . PHE . 11467 1 219 . TYR . 11467 1 220 . LYS . 11467 1 221 . ARG . 11467 1 222 . TYR . 11467 1 223 . CYS . 11467 1 224 . ASP . 11467 1 225 . ILE . 11467 1 226 . LEU . 11467 1 227 . GLY . 11467 1 228 . VAL . 11467 1 229 . GLY . 11467 1 230 . TYR . 11467 1 231 . GLY . 11467 1 232 . ASP . 11467 1 233 . ASN . 11467 1 234 . LEU . 11467 1 235 . ASP . 11467 1 236 . CYS . 11467 1 237 . TYR . 11467 1 238 . ASN . 11467 1 239 . GLN . 11467 1 240 . ARG . 11467 1 241 . PRO . 11467 1 242 . PHE . 11467 1 243 . ALA . 11467 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 . SER 1 1 11467 1 . VAL 2 2 11467 1 . SER 3 3 11467 1 . SER 4 4 11467 1 . ILE 5 5 11467 1 . ILE 6 6 11467 1 . SER 7 7 11467 1 . HIS 8 8 11467 1 . ALA 9 9 11467 1 . GLN 10 10 11467 1 . PHE 11 11 11467 1 . ASP 12 12 11467 1 . ARG 13 13 11467 1 . MET 14 14 11467 1 . LEU 15 15 11467 1 . LEU 16 16 11467 1 . HIS 17 17 11467 1 . ARG 18 18 11467 1 . ASN 19 19 11467 1 . ASP 20 20 11467 1 . GLY 21 21 11467 1 . ALA 22 22 11467 1 . CYS 23 23 11467 1 . GLN 24 24 11467 1 . ALA 25 25 11467 1 . LYS 26 26 11467 1 . GLY 27 27 11467 1 . PHE 28 28 11467 1 . TYR 29 29 11467 1 . THR 30 30 11467 1 . TYR 31 31 11467 1 . ASP 32 32 11467 1 . ALA 33 33 11467 1 . PHE 34 34 11467 1 . VAL 35 35 11467 1 . ALA 36 36 11467 1 . ALA 37 37 11467 1 . ALA 38 38 11467 1 . ASN 39 39 11467 1 . ALA 40 40 11467 1 . PHE 41 41 11467 1 . PRO 42 42 11467 1 . GLY 43 43 11467 1 . PHE 44 44 11467 1 . GLY 45 45 11467 1 . ALA 46 46 11467 1 . THR 47 47 11467 1 . GLY 48 48 11467 1 . SER 49 49 11467 1 . THR 50 50 11467 1 . ASP 51 51 11467 1 . ALA 52 52 11467 1 . ARG 53 53 11467 1 . LYS 54 54 11467 1 . ARG 55 55 11467 1 . ASP 56 56 11467 1 . VAL 57 57 11467 1 . ALA 58 58 11467 1 . ALA 59 59 11467 1 . PHE 60 60 11467 1 . LEU 61 61 11467 1 . ALA 62 62 11467 1 . GLN 63 63 11467 1 . THR 64 64 11467 1 . SER 65 65 11467 1 . HIS 66 66 11467 1 . GLU 67 67 11467 1 . THR 68 68 11467 1 . THR 69 69 11467 1 . GLY 70 70 11467 1 . GLY 71 71 11467 1 . TRP 72 72 11467 1 . ALA 73 73 11467 1 . THR 74 74 11467 1 . ALA 75 75 11467 1 . PRO 76 76 11467 1 . ASP 77 77 11467 1 . GLY 78 78 11467 1 . ALA 79 79 11467 1 . PHE 80 80 11467 1 . ALA 81 81 11467 1 . TRP 82 82 11467 1 . GLY 83 83 11467 1 . TYR 84 84 11467 1 . CYS 85 85 11467 1 . PHE 86 86 11467 1 . LYS 87 87 11467 1 . GLN 88 88 11467 1 . GLU 89 89 11467 1 . ARG 90 90 11467 1 . GLY 91 91 11467 1 . ALA 92 92 11467 1 . ALA 93 93 11467 1 . ALA 94 94 11467 1 . ASP 95 95 11467 1 . TYR 96 96 11467 1 . CYS 97 97 11467 1 . THR 98 98 11467 1 . PRO 99 99 11467 1 . SER 100 100 11467 1 . ALA 101 101 11467 1 . GLN 102 102 11467 1 . TRP 103 103 11467 1 . PRO 104 104 11467 1 . CYS 105 105 11467 1 . ALA 106 106 11467 1 . PRO 107 107 11467 1 . GLY 108 108 11467 1 . LYS 109 109 11467 1 . ARG 110 110 11467 1 . TYR 111 111 11467 1 . TYR 112 112 11467 1 . GLY 113 113 11467 1 . ARG 114 114 11467 1 . GLY 115 115 11467 1 . PRO 116 116 11467 1 . ILE 117 117 11467 1 . GLN 118 118 11467 1 . LEU 119 119 11467 1 . SER 120 120 11467 1 . HIS 121 121 11467 1 . ASN 122 122 11467 1 . TYR 123 123 11467 1 . ASN 124 124 11467 1 . TYR 125 125 11467 1 . GLY 126 126 11467 1 . PRO 127 127 11467 1 . ALA 128 128 11467 1 . GLY 129 129 11467 1 . ARG 130 130 11467 1 . ALA 131 131 11467 1 . ILE 132 132 11467 1 . GLY 133 133 11467 1 . VAL 134 134 11467 1 . ASP 135 135 11467 1 . LEU 136 136 11467 1 . LEU 137 137 11467 1 . ARG 138 138 11467 1 . ASN 139 139 11467 1 . PRO 140 140 11467 1 . ASP 141 141 11467 1 . LEU 142 142 11467 1 . VAL 143 143 11467 1 . ALA 144 144 11467 1 . THR 145 145 11467 1 . ASP 146 146 11467 1 . PRO 147 147 11467 1 . THR 148 148 11467 1 . VAL 149 149 11467 1 . SER 150 150 11467 1 . PHE 151 151 11467 1 . LYS 152 152 11467 1 . THR 153 153 11467 1 . ALA 154 154 11467 1 . LEU 155 155 11467 1 . TRP 156 156 11467 1 . PHE 157 157 11467 1 . TRP 158 158 11467 1 . MET 159 159 11467 1 . THR 160 160 11467 1 . ALA 161 161 11467 1 . GLN 162 162 11467 1 . ALA 163 163 11467 1 . PRO 164 164 11467 1 . LYS 165 165 11467 1 . PRO 166 166 11467 1 . SER 167 167 11467 1 . SER 168 168 11467 1 . HIS 169 169 11467 1 . ALA 170 170 11467 1 . VAL 171 171 11467 1 . ILE 172 172 11467 1 . THR 173 173 11467 1 . GLY 174 174 11467 1 . LYS 175 175 11467 1 . TRP 176 176 11467 1 . SER 177 177 11467 1 . PRO 178 178 11467 1 . SER 179 179 11467 1 . GLY 180 180 11467 1 . ALA 181 181 11467 1 . ASP 182 182 11467 1 . ARG 183 183 11467 1 . ALA 184 184 11467 1 . ALA 185 185 11467 1 . GLY 186 186 11467 1 . ARG 187 187 11467 1 . ALA 188 188 11467 1 . PRO 189 189 11467 1 . GLY 190 190 11467 1 . PHE 191 191 11467 1 . GLY 192 192 11467 1 . VAL 193 193 11467 1 . ILE 194 194 11467 1 . THR 195 195 11467 1 . ASN 196 196 11467 1 . ILE 197 197 11467 1 . ILE 198 198 11467 1 . ASN 199 199 11467 1 . GLY 200 200 11467 1 . GLY 201 201 11467 1 . LEU 202 202 11467 1 . GLU 203 203 11467 1 . CYS 204 204 11467 1 . GLY 205 205 11467 1 . HIS 206 206 11467 1 . GLY 207 207 11467 1 . GLN 208 208 11467 1 . ASP 209 209 11467 1 . SER 210 210 11467 1 . ARG 211 211 11467 1 . VAL 212 212 11467 1 . ALA 213 213 11467 1 . ASP 214 214 11467 1 . ARG 215 215 11467 1 . ILE 216 216 11467 1 . GLY 217 217 11467 1 . PHE 218 218 11467 1 . TYR 219 219 11467 1 . LYS 220 220 11467 1 . ARG 221 221 11467 1 . TYR 222 222 11467 1 . CYS 223 223 11467 1 . ASP 224 224 11467 1 . ILE 225 225 11467 1 . LEU 226 226 11467 1 . GLY 227 227 11467 1 . VAL 228 228 11467 1 . GLY 229 229 11467 1 . TYR 230 230 11467 1 . GLY 231 231 11467 1 . ASP 232 232 11467 1 . ASN 233 233 11467 1 . LEU 234 234 11467 1 . ASP 235 235 11467 1 . CYS 236 236 11467 1 . TYR 237 237 11467 1 . ASN 238 238 11467 1 . GLN 239 239 11467 1 . ARG 240 240 11467 1 . PRO 241 241 11467 1 . PHE 242 242 11467 1 . ALA 243 243 11467 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 11467 _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 $RSC-c . 4550 organism . 'Secale cereale' rye . . Eukaryota Viridiplantae Secale cereale . . . . . . . . . . . . . . . . . . . . . 11467 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 11467 _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 $RSC-c . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 11467 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11467 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RSC-c '[U-99% 13C; U-99% 15N]' . . 1 $RSC-c . protein 0.3 . . mM . . . . 11467 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 11467 1 3 H2O . . . . . . solvent 90 . . % . . . . 11467 1 4 D2O . . . . . . solvent 10 . . % . . . . 11467 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 11467 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . pH 11467 1 pressure 1 . atm 11467 1 temperature 300 . K 11467 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11467 _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 . . 11467 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11467 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 11467 _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 11467 _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 . . . 11467 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 11467 _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 . . . . . . . . . . . . . . . . 11467 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11467 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11467 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11467 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11467 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11467 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11467 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 11467 _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 . . . . . . . . . 11467 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11467 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11467 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 11467 _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' . . . 11467 1 2 '3D HNCO' . . . 11467 1 3 '3D HNCACO' . . . 11467 1 4 '3D HNCA' . . . 11467 1 5 '3D HN(CO)CA' . . . 11467 1 6 '3D HNCACB' . . . 11467 1 7 '3D CBCA(CO)NH' . . . 11467 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 6 6 ILE H H 1 7.815 0.007 . 1 . . . . 6 ILE HN . 11467 1 2 . 1 1 6 6 ILE C C 13 173.439 0 . 1 . . . . 6 ILE CO . 11467 1 3 . 1 1 6 6 ILE CA C 13 57.427 0 . 1 . . . . 6 ILE CA . 11467 1 4 . 1 1 6 6 ILE CB C 13 41.485 0 . 1 . . . . 6 ILE CB . 11467 1 5 . 1 1 6 6 ILE N N 15 116.329 0.099 . 1 . . . . 6 ILE N . 11467 1 6 . 1 1 7 7 SER H H 1 9.376 0.006 . 1 . . . . 7 SER HN . 11467 1 7 . 1 1 7 7 SER C C 13 174.015 0 . 1 . . . . 7 SER CO . 11467 1 8 . 1 1 7 7 SER CA C 13 56.519 0.066 . 1 . . . . 7 SER CA . 11467 1 9 . 1 1 7 7 SER CB C 13 66.205 0 . 1 . . . . 7 SER CB . 11467 1 10 . 1 1 7 7 SER N N 15 126.097 0.05 . 1 . . . . 7 SER N . 11467 1 11 . 1 1 8 8 HIS H H 1 8.838 0.003 . 1 . . . . 8 HIS HN . 11467 1 12 . 1 1 8 8 HIS C C 13 176.929 0 . 1 . . . . 8 HIS CO . 11467 1 13 . 1 1 8 8 HIS CA C 13 56.863 0 . 1 . . . . 8 HIS CA . 11467 1 14 . 1 1 8 8 HIS CB C 13 28.643 0 . 1 . . . . 8 HIS CB . 11467 1 15 . 1 1 8 8 HIS N N 15 122.637 0.061 . 1 . . . . 8 HIS N . 11467 1 16 . 1 1 9 9 ALA H H 1 8.252 0.003 . 1 . . . . 9 ALA HN . 11467 1 17 . 1 1 9 9 ALA C C 13 181.218 0 . 1 . . . . 9 ALA CO . 11467 1 18 . 1 1 9 9 ALA CA C 13 54.971 0.066 . 1 . . . . 9 ALA CA . 11467 1 19 . 1 1 9 9 ALA CB C 13 17.974 0 . 1 . . . . 9 ALA CB . 11467 1 20 . 1 1 9 9 ALA N N 15 120.379 0.082 . 1 . . . . 9 ALA N . 11467 1 21 . 1 1 10 10 GLN H H 1 7.863 0.005 . 1 . . . . 10 GLN HN . 11467 1 22 . 1 1 10 10 GLN C C 13 177.438 0 . 1 . . . . 10 GLN CO . 11467 1 23 . 1 1 10 10 GLN CA C 13 59.264 0.015 . 1 . . . . 10 GLN CA . 11467 1 24 . 1 1 10 10 GLN CB C 13 29.184 0 . 1 . . . . 10 GLN CB . 11467 1 25 . 1 1 10 10 GLN N N 15 118.586 0.08 . 1 . . . . 10 GLN N . 11467 1 26 . 1 1 13 13 ARG H H 1 7.589 0.002 . 1 . . . . 13 ARG HN . 11467 1 27 . 1 1 13 13 ARG C C 13 178.463 0 . 1 . . . . 13 ARG CO . 11467 1 28 . 1 1 13 13 ARG CA C 13 57.914 0 . 1 . . . . 13 ARG CA . 11467 1 29 . 1 1 13 13 ARG CB C 13 29.921 0 . 1 . . . . 13 ARG CB . 11467 1 30 . 1 1 13 13 ARG N N 15 118.845 0.063 . 1 . . . . 13 ARG N . 11467 1 31 . 1 1 14 14 MET H H 1 8.144 0.004 . 1 . . . . 14 MET HN . 11467 1 32 . 1 1 14 14 MET C C 13 177.636 0 . 1 . . . . 14 MET CO . 11467 1 33 . 1 1 14 14 MET CA C 13 59.103 0.045 . 1 . . . . 14 MET CA . 11467 1 34 . 1 1 14 14 MET CB C 13 32.17 0 . 1 . . . . 14 MET CB . 11467 1 35 . 1 1 14 14 MET N N 15 117.808 0.045 . 1 . . . . 14 MET N . 11467 1 36 . 1 1 15 15 LEU H H 1 7.862 0.003 . 1 . . . . 15 LEU HN . 11467 1 37 . 1 1 15 15 LEU C C 13 178.783 0 . 1 . . . . 15 LEU CO . 11467 1 38 . 1 1 15 15 LEU CA C 13 52.707 0.04 . 1 . . . . 15 LEU CA . 11467 1 39 . 1 1 15 15 LEU CB C 13 39.579 0 . 1 . . . . 15 LEU CB . 11467 1 40 . 1 1 15 15 LEU N N 15 123.326 0.094 . 1 . . . . 15 LEU N . 11467 1 41 . 1 1 17 17 HIS H H 1 7.27 0.005 . 1 . . . . 17 HIS HN . 11467 1 42 . 1 1 17 17 HIS C C 13 173.997 0 . 1 . . . . 17 HIS CO . 11467 1 43 . 1 1 17 17 HIS CA C 13 54.998 0.052 . 1 . . . . 17 HIS CA . 11467 1 44 . 1 1 17 17 HIS CB C 13 26.471 0 . 1 . . . . 17 HIS CB . 11467 1 45 . 1 1 17 17 HIS N N 15 112.227 0.08 . 1 . . . . 17 HIS N . 11467 1 46 . 1 1 18 18 ARG H H 1 6.784 0.003 . 1 . . . . 18 ARG HN . 11467 1 47 . 1 1 18 18 ARG C C 13 174.222 0 . 1 . . . . 18 ARG CO . 11467 1 48 . 1 1 18 18 ARG CA C 13 58.419 0.037 . 1 . . . . 18 ARG CA . 11467 1 49 . 1 1 18 18 ARG CB C 13 28.219 0 . 1 . . . . 18 ARG CB . 11467 1 50 . 1 1 18 18 ARG N N 15 118.671 0.081 . 1 . . . . 18 ARG N . 11467 1 51 . 1 1 19 19 ASN H H 1 7.999 0.005 . 1 . . . . 19 ASN HN . 11467 1 52 . 1 1 19 19 ASN C C 13 174.435 0 . 1 . . . . 19 ASN CO . 11467 1 53 . 1 1 19 19 ASN CA C 13 51.943 0.047 . 1 . . . . 19 ASN CA . 11467 1 54 . 1 1 19 19 ASN CB C 13 37.994 0 . 1 . . . . 19 ASN CB . 11467 1 55 . 1 1 19 19 ASN N N 15 114.757 0.069 . 1 . . . . 19 ASN N . 11467 1 56 . 1 1 20 20 ASP H H 1 7.742 0.003 . 1 . . . . 20 ASP HN . 11467 1 57 . 1 1 20 20 ASP C C 13 176.535 0 . 1 . . . . 20 ASP CO . 11467 1 58 . 1 1 20 20 ASP CA C 13 54.38 0 . 1 . . . . 20 ASP CA . 11467 1 59 . 1 1 20 20 ASP CB C 13 43.376 0 . 1 . . . . 20 ASP CB . 11467 1 60 . 1 1 20 20 ASP N N 15 121.244 0.074 . 1 . . . . 20 ASP N . 11467 1 61 . 1 1 21 21 GLY H H 1 8.638 0.004 . 1 . . . . 21 GLY HN . 11467 1 62 . 1 1 21 21 GLY C C 13 174.825 0 . 1 . . . . 21 GLY CO . 11467 1 63 . 1 1 21 21 GLY CA C 13 47.367 0 . 1 . . . . 21 GLY CA . 11467 1 64 . 1 1 21 21 GLY N N 15 106.887 0.07 . 1 . . . . 21 GLY N . 11467 1 65 . 1 1 22 22 ALA H H 1 8.784 0.003 . 1 . . . . 22 ALA HN . 11467 1 66 . 1 1 22 22 ALA C C 13 178.596 0 . 1 . . . . 22 ALA CO . 11467 1 67 . 1 1 22 22 ALA CA C 13 52.386 0.055 . 1 . . . . 22 ALA CA . 11467 1 68 . 1 1 22 22 ALA CB C 13 19.029 0 . 1 . . . . 22 ALA CB . 11467 1 69 . 1 1 22 22 ALA N N 15 123.233 0.061 . 1 . . . . 22 ALA N . 11467 1 70 . 1 1 23 23 CYS H H 1 8.141 0.004 . 1 . . . . 23 CYS HN . 11467 1 71 . 1 1 23 23 CYS C C 13 175.707 0 . 1 . . . . 23 CYS CO . 11467 1 72 . 1 1 23 23 CYS CA C 13 55.802 0.014 . 1 . . . . 23 CYS CA . 11467 1 73 . 1 1 23 23 CYS CB C 13 39.57 0 . 1 . . . . 23 CYS CB . 11467 1 74 . 1 1 23 23 CYS N N 15 116.534 0.093 . 1 . . . . 23 CYS N . 11467 1 75 . 1 1 24 24 GLN H H 1 8.189 0.003 . 1 . . . . 24 GLN HN . 11467 1 76 . 1 1 24 24 GLN C C 13 176.367 0 . 1 . . . . 24 GLN CO . 11467 1 77 . 1 1 24 24 GLN CA C 13 57.218 0.047 . 1 . . . . 24 GLN CA . 11467 1 78 . 1 1 24 24 GLN CB C 13 31.12 0 . 1 . . . . 24 GLN CB . 11467 1 79 . 1 1 24 24 GLN N N 15 123.299 0.062 . 1 . . . . 24 GLN N . 11467 1 80 . 1 1 25 25 ALA H H 1 8.128 0.004 . 1 . . . . 25 ALA HN . 11467 1 81 . 1 1 25 25 ALA C C 13 175.345 0 . 1 . . . . 25 ALA CO . 11467 1 82 . 1 1 25 25 ALA CA C 13 50.507 0 . 1 . . . . 25 ALA CA . 11467 1 83 . 1 1 25 25 ALA CB C 13 19.343 0 . 1 . . . . 25 ALA CB . 11467 1 84 . 1 1 25 25 ALA N N 15 121.546 0.067 . 1 . . . . 25 ALA N . 11467 1 85 . 1 1 26 26 LYS H H 1 7.324 0.003 . 1 . . . . 26 LYS HN . 11467 1 86 . 1 1 26 26 LYS C C 13 178.104 0 . 1 . . . . 26 LYS CO . 11467 1 87 . 1 1 26 26 LYS CA C 13 58.401 0 . 1 . . . . 26 LYS CA . 11467 1 88 . 1 1 26 26 LYS CB C 13 31.661 0 . 1 . . . . 26 LYS CB . 11467 1 89 . 1 1 26 26 LYS N N 15 118.649 0.061 . 1 . . . . 26 LYS N . 11467 1 90 . 1 1 27 27 GLY H H 1 8.985 0.002 . 1 . . . . 27 GLY HN . 11467 1 91 . 1 1 27 27 GLY CA C 13 45.445 0 . 1 . . . . 27 GLY CA . 11467 1 92 . 1 1 27 27 GLY N N 15 113.86 0.092 . 1 . . . . 27 GLY N . 11467 1 93 . 1 1 28 28 PHE H H 1 8.511 0.004 . 1 . . . . 28 PHE HN . 11467 1 94 . 1 1 28 28 PHE C C 13 175.854 0 . 1 . . . . 28 PHE CO . 11467 1 95 . 1 1 28 28 PHE CA C 13 60.49 0 . 1 . . . . 28 PHE CA . 11467 1 96 . 1 1 28 28 PHE CB C 13 42.027 0 . 1 . . . . 28 PHE CB . 11467 1 97 . 1 1 28 28 PHE N N 15 120.813 0.078 . 1 . . . . 28 PHE N . 11467 1 98 . 1 1 29 29 TYR H H 1 8.949 0.006 . 1 . . . . 29 TYR HN . 11467 1 99 . 1 1 29 29 TYR C C 13 176.334 0 . 1 . . . . 29 TYR CO . 11467 1 100 . 1 1 29 29 TYR CA C 13 57.822 0.018 . 1 . . . . 29 TYR CA . 11467 1 101 . 1 1 29 29 TYR CB C 13 37.803 0 . 1 . . . . 29 TYR CB . 11467 1 102 . 1 1 29 29 TYR N N 15 114.769 0.085 . 1 . . . . 29 TYR N . 11467 1 103 . 1 1 30 30 THR H H 1 6.961 0.003 . 1 . . . . 30 THR HN . 11467 1 104 . 1 1 30 30 THR C C 13 173.302 0 . 1 . . . . 30 THR CO . 11467 1 105 . 1 1 30 30 THR CA C 13 58.609 0 . 1 . . . . 30 THR CA . 11467 1 106 . 1 1 30 30 THR CB C 13 71.296 0 . 1 . . . . 30 THR CB . 11467 1 107 . 1 1 30 30 THR N N 15 113.589 0.07 . 1 . . . . 30 THR N . 11467 1 108 . 1 1 31 31 TYR H H 1 8.77 0.003 . 1 . . . . 31 TYR HN . 11467 1 109 . 1 1 31 31 TYR C C 13 176.106 0 . 1 . . . . 31 TYR CO . 11467 1 110 . 1 1 31 31 TYR CA C 13 60.184 0.007 . 1 . . . . 31 TYR CA . 11467 1 111 . 1 1 31 31 TYR CB C 13 37.574 0 . 1 . . . . 31 TYR CB . 11467 1 112 . 1 1 31 31 TYR N N 15 123.378 0.067 . 1 . . . . 31 TYR N . 11467 1 113 . 1 1 32 32 ASP H H 1 8.124 0.004 . 1 . . . . 32 ASP HN . 11467 1 114 . 1 1 32 32 ASP C C 13 178.451 0 . 1 . . . . 32 ASP CO . 11467 1 115 . 1 1 32 32 ASP CA C 13 56.894 0.058 . 1 . . . . 32 ASP CA . 11467 1 116 . 1 1 32 32 ASP CB C 13 40.045 0 . 1 . . . . 32 ASP CB . 11467 1 117 . 1 1 32 32 ASP N N 15 115.015 0.055 . 1 . . . . 32 ASP N . 11467 1 118 . 1 1 33 33 ALA H H 1 7.711 0.003 . 1 . . . . 33 ALA HN . 11467 1 119 . 1 1 33 33 ALA C C 13 177.928 0 . 1 . . . . 33 ALA CO . 11467 1 120 . 1 1 33 33 ALA CA C 13 54.455 0 . 1 . . . . 33 ALA CA . 11467 1 121 . 1 1 33 33 ALA N N 15 122.62 0.095 . 1 . . . . 33 ALA N . 11467 1 122 . 1 1 34 34 PHE H H 1 7.028 0.004 . 1 . . . . 34 PHE HN . 11467 1 123 . 1 1 34 34 PHE C C 13 175.492 0 . 1 . . . . 34 PHE CO . 11467 1 124 . 1 1 34 34 PHE CA C 13 60.181 0.038 . 1 . . . . 34 PHE CA . 11467 1 125 . 1 1 34 34 PHE CB C 13 38.042 0 . 1 . . . . 34 PHE CB . 11467 1 126 . 1 1 34 34 PHE N N 15 119.793 0.09 . 1 . . . . 34 PHE N . 11467 1 127 . 1 1 35 35 VAL H H 1 7.877 0.005 . 1 . . . . 35 VAL HN . 11467 1 128 . 1 1 35 35 VAL C C 13 177.468 0 . 1 . . . . 35 VAL CO . 11467 1 129 . 1 1 35 35 VAL CA C 13 66.288 0 . 1 . . . . 35 VAL CA . 11467 1 130 . 1 1 35 35 VAL CB C 13 31.369 0 . 1 . . . . 35 VAL CB . 11467 1 131 . 1 1 35 35 VAL N N 15 118.192 0.068 . 1 . . . . 35 VAL N . 11467 1 132 . 1 1 36 36 ALA H H 1 7.716 0.005 . 1 . . . . 36 ALA HN . 11467 1 133 . 1 1 36 36 ALA C C 13 180.939 0 . 1 . . . . 36 ALA CO . 11467 1 134 . 1 1 36 36 ALA CA C 13 54.844 0.075 . 1 . . . . 36 ALA CA . 11467 1 135 . 1 1 36 36 ALA CB C 13 18.048 0 . 1 . . . . 36 ALA CB . 11467 1 136 . 1 1 36 36 ALA N N 15 120.622 0.053 . 1 . . . . 36 ALA N . 11467 1 137 . 1 1 37 37 ALA H H 1 8.15 0.005 . 1 . . . . 37 ALA HN . 11467 1 138 . 1 1 37 37 ALA C C 13 178.64 0 . 1 . . . . 37 ALA CO . 11467 1 139 . 1 1 37 37 ALA CA C 13 54.88 0 . 1 . . . . 37 ALA CA . 11467 1 140 . 1 1 37 37 ALA CB C 13 21.094 0 . 1 . . . . 37 ALA CB . 11467 1 141 . 1 1 37 37 ALA N N 15 120.342 0.043 . 1 . . . . 37 ALA N . 11467 1 142 . 1 1 38 38 ALA H H 1 8.19 0.004 . 1 . . . . 38 ALA HN . 11467 1 143 . 1 1 38 38 ALA C C 13 180.034 0 . 1 . . . . 38 ALA CO . 11467 1 144 . 1 1 38 38 ALA CA C 13 55.018 0 . 1 . . . . 38 ALA CA . 11467 1 145 . 1 1 38 38 ALA CB C 13 17.448 0 . 1 . . . . 38 ALA CB . 11467 1 146 . 1 1 38 38 ALA N N 15 120.117 0.076 . 1 . . . . 38 ALA N . 11467 1 147 . 1 1 39 39 ASN H H 1 7.917 0.004 . 1 . . . . 39 ASN HN . 11467 1 148 . 1 1 39 39 ASN C C 13 176.309 0 . 1 . . . . 39 ASN CO . 11467 1 149 . 1 1 39 39 ASN CA C 13 55 0 . 1 . . . . 39 ASN CA . 11467 1 150 . 1 1 39 39 ASN CB C 13 37.751 0 . 1 . . . . 39 ASN CB . 11467 1 151 . 1 1 39 39 ASN N N 15 116.172 0.071 . 1 . . . . 39 ASN N . 11467 1 152 . 1 1 40 40 ALA H H 1 7.471 0.003 . 1 . . . . 40 ALA HN . 11467 1 153 . 1 1 40 40 ALA C C 13 175.682 0 . 1 . . . . 40 ALA CO . 11467 1 154 . 1 1 40 40 ALA CA C 13 52.35 0 . 1 . . . . 40 ALA CA . 11467 1 155 . 1 1 40 40 ALA CB C 13 18.381 0 . 1 . . . . 40 ALA CB . 11467 1 156 . 1 1 40 40 ALA N N 15 119.553 0.083 . 1 . . . . 40 ALA N . 11467 1 157 . 1 1 41 41 PHE H H 1 7.734 0.003 . 1 . . . . 41 PHE HN . 11467 1 158 . 1 1 41 41 PHE C C 13 172.991 0 . 1 . . . . 41 PHE CO . 11467 1 159 . 1 1 41 41 PHE CA C 13 55.323 0.079 . 1 . . . . 41 PHE CA . 11467 1 160 . 1 1 41 41 PHE CB C 13 39.825 0 . 1 . . . . 41 PHE CB . 11467 1 161 . 1 1 41 41 PHE N N 15 117.973 0.092 . 1 . . . . 41 PHE N . 11467 1 162 . 1 1 43 43 GLY H H 1 8.833 0.004 . 1 . . . . 43 GLY HN . 11467 1 163 . 1 1 43 43 GLY C C 13 177.191 0 . 1 . . . . 43 GLY CO . 11467 1 164 . 1 1 43 43 GLY CA C 13 45.739 0.01 . 1 . . . . 43 GLY CA . 11467 1 165 . 1 1 43 43 GLY N N 15 104.431 0.089 . 1 . . . . 43 GLY N . 11467 1 166 . 1 1 44 44 PHE H H 1 8.469 0.005 . 1 . . . . 44 PHE HN . 11467 1 167 . 1 1 44 44 PHE C C 13 175.671 0 . 1 . . . . 44 PHE CO . 11467 1 168 . 1 1 44 44 PHE CA C 13 58.447 0.011 . 1 . . . . 44 PHE CA . 11467 1 169 . 1 1 44 44 PHE CB C 13 37.858 0 . 1 . . . . 44 PHE CB . 11467 1 170 . 1 1 44 44 PHE N N 15 125.686 0.079 . 1 . . . . 44 PHE N . 11467 1 171 . 1 1 45 45 GLY H H 1 9.235 0.007 . 1 . . . . 45 GLY HN . 11467 1 172 . 1 1 45 45 GLY C C 13 172.073 0 . 1 . . . . 45 GLY CO . 11467 1 173 . 1 1 45 45 GLY CA C 13 46.188 0.039 . 1 . . . . 45 GLY CA . 11467 1 174 . 1 1 45 45 GLY N N 15 118.143 0.089 . 1 . . . . 45 GLY N . 11467 1 175 . 1 1 46 46 ALA H H 1 7.439 0.008 . 1 . . . . 46 ALA HN . 11467 1 176 . 1 1 46 46 ALA C C 13 175.802 0 . 1 . . . . 46 ALA CO . 11467 1 177 . 1 1 46 46 ALA CA C 13 50.94 0 . 1 . . . . 46 ALA CA . 11467 1 178 . 1 1 46 46 ALA CB C 13 20.377 0 . 1 . . . . 46 ALA CB . 11467 1 179 . 1 1 46 46 ALA N N 15 119.991 0.066 . 1 . . . . 46 ALA N . 11467 1 180 . 1 1 47 47 THR H H 1 9.122 0.009 . 1 . . . . 47 THR HN . 11467 1 181 . 1 1 47 47 THR C C 13 172.611 0 . 1 . . . . 47 THR CO . 11467 1 182 . 1 1 47 47 THR CA C 13 62.691 0.018 . 1 . . . . 47 THR CA . 11467 1 183 . 1 1 47 47 THR CB C 13 70.967 0 . 1 . . . . 47 THR CB . 11467 1 184 . 1 1 47 47 THR N N 15 118.213 0.067 . 1 . . . . 47 THR N . 11467 1 185 . 1 1 48 48 GLY H H 1 8.668 0.005 . 1 . . . . 48 GLY HN . 11467 1 186 . 1 1 48 48 GLY C C 13 174.717 0 . 1 . . . . 48 GLY CO . 11467 1 187 . 1 1 48 48 GLY CA C 13 43.291 0 . 1 . . . . 48 GLY CA . 11467 1 188 . 1 1 48 48 GLY N N 15 112.213 0.068 . 1 . . . . 48 GLY N . 11467 1 189 . 1 1 49 49 SER H H 1 8.335 0.005 . 1 . . . . 49 SER HN . 11467 1 190 . 1 1 49 49 SER C C 13 173.984 0 . 1 . . . . 49 SER CO . 11467 1 191 . 1 1 49 49 SER CA C 13 57.843 0 . 1 . . . . 49 SER CA . 11467 1 192 . 1 1 49 49 SER CB C 13 64.955 0 . 1 . . . . 49 SER CB . 11467 1 193 . 1 1 49 49 SER N N 15 116.793 0.062 . 1 . . . . 49 SER N . 11467 1 194 . 1 1 50 50 THR H H 1 8.784 0.003 . 1 . . . . 50 THR HN . 11467 1 195 . 1 1 50 50 THR C C 13 177.281 0 . 1 . . . . 50 THR CO . 11467 1 196 . 1 1 50 50 THR CA C 13 67.62 0 . 1 . . . . 50 THR CA . 11467 1 197 . 1 1 50 50 THR N N 15 116.227 0.095 . 1 . . . . 50 THR N . 11467 1 198 . 1 1 55 55 ARG H H 1 8.592 0.002 . 1 . . . . 55 ARG HN . 11467 1 199 . 1 1 55 55 ARG C C 13 178.27 0 . 1 . . . . 55 ARG CO . 11467 1 200 . 1 1 55 55 ARG CA C 13 61.528 0.048 . 1 . . . . 55 ARG CA . 11467 1 201 . 1 1 55 55 ARG CB C 13 31.424 0 . 1 . . . . 55 ARG CB . 11467 1 202 . 1 1 55 55 ARG N N 15 118.061 0.044 . 1 . . . . 55 ARG N . 11467 1 203 . 1 1 56 56 ASP H H 1 8.61 0.005 . 1 . . . . 56 ASP HN . 11467 1 204 . 1 1 56 56 ASP C C 13 177.63 0 . 1 . . . . 56 ASP CO . 11467 1 205 . 1 1 56 56 ASP CA C 13 57.476 0 . 1 . . . . 56 ASP CA . 11467 1 206 . 1 1 56 56 ASP CB C 13 42.153 0 . 1 . . . . 56 ASP CB . 11467 1 207 . 1 1 56 56 ASP N N 15 121.273 0.061 . 1 . . . . 56 ASP N . 11467 1 208 . 1 1 57 57 VAL H H 1 7.145 0.004 . 1 . . . . 57 VAL HN . 11467 1 209 . 1 1 57 57 VAL C C 13 178.1 0 . 1 . . . . 57 VAL CO . 11467 1 210 . 1 1 57 57 VAL CA C 13 66.512 0 . 1 . . . . 57 VAL CA . 11467 1 211 . 1 1 57 57 VAL CB C 13 31.875 0 . 1 . . . . 57 VAL CB . 11467 1 212 . 1 1 57 57 VAL N N 15 115.582 0.074 . 1 . . . . 57 VAL N . 11467 1 213 . 1 1 58 58 ALA H H 1 9.173 0.004 . 1 . . . . 58 ALA HN . 11467 1 214 . 1 1 58 58 ALA C C 13 180.281 0 . 1 . . . . 58 ALA CO . 11467 1 215 . 1 1 58 58 ALA CA C 13 56.204 0.001 . 1 . . . . 58 ALA CA . 11467 1 216 . 1 1 58 58 ALA CB C 13 19.9 0 . 1 . . . . 58 ALA CB . 11467 1 217 . 1 1 58 58 ALA N N 15 121.348 0.073 . 1 . . . . 58 ALA N . 11467 1 218 . 1 1 59 59 ALA H H 1 10.229 0.004 . 1 . . . . 59 ALA HN . 11467 1 219 . 1 1 59 59 ALA C C 13 178.624 0 . 1 . . . . 59 ALA CO . 11467 1 220 . 1 1 59 59 ALA CA C 13 56.169 0 . 1 . . . . 59 ALA CA . 11467 1 221 . 1 1 59 59 ALA CB C 13 18.081 0 . 1 . . . . 59 ALA CB . 11467 1 222 . 1 1 59 59 ALA N N 15 119.463 0.066 . 1 . . . . 59 ALA N . 11467 1 223 . 1 1 60 60 PHE H H 1 8.144 0.004 . 1 . . . . 60 PHE HN . 11467 1 224 . 1 1 60 60 PHE C C 13 179.707 0 . 1 . . . . 60 PHE CO . 11467 1 225 . 1 1 60 60 PHE CA C 13 60.63 0 . 1 . . . . 60 PHE CA . 11467 1 226 . 1 1 60 60 PHE CB C 13 39.083 0 . 1 . . . . 60 PHE CB . 11467 1 227 . 1 1 60 60 PHE N N 15 122.893 0.088 . 1 . . . . 60 PHE N . 11467 1 228 . 1 1 61 61 LEU H H 1 8.828 0.003 . 1 . . . . 61 LEU HN . 11467 1 229 . 1 1 61 61 LEU CA C 13 57.203 0 . 1 . . . . 61 LEU CA . 11467 1 230 . 1 1 61 61 LEU CB C 13 41.433 0 . 1 . . . . 61 LEU CB . 11467 1 231 . 1 1 61 61 LEU N N 15 121.571 0.074 . 1 . . . . 61 LEU N . 11467 1 232 . 1 1 62 62 ALA H H 1 9.609 0.004 . 1 . . . . 62 ALA HN . 11467 1 233 . 1 1 62 62 ALA C C 13 178.462 0 . 1 . . . . 62 ALA CO . 11467 1 234 . 1 1 62 62 ALA CA C 13 56.22 0.023 . 1 . . . . 62 ALA CA . 11467 1 235 . 1 1 62 62 ALA CB C 13 19.324 0 . 1 . . . . 62 ALA CB . 11467 1 236 . 1 1 62 62 ALA N N 15 128.747 0.071 . 1 . . . . 62 ALA N . 11467 1 237 . 1 1 63 63 GLN H H 1 8.597 0.006 . 1 . . . . 63 GLN HN . 11467 1 238 . 1 1 63 63 GLN C C 13 179.197 0 . 1 . . . . 63 GLN CO . 11467 1 239 . 1 1 63 63 GLN CA C 13 58.821 0 . 1 . . . . 63 GLN CA . 11467 1 240 . 1 1 63 63 GLN CB C 13 27.476 0 . 1 . . . . 63 GLN CB . 11467 1 241 . 1 1 63 63 GLN N N 15 115.71 0.058 . 1 . . . . 63 GLN N . 11467 1 242 . 1 1 64 64 THR H H 1 7.058 0.005 . 1 . . . . 64 THR HN . 11467 1 243 . 1 1 64 64 THR C C 13 177.548 0 . 1 . . . . 64 THR CO . 11467 1 244 . 1 1 64 64 THR CA C 13 62.924 0 . 1 . . . . 64 THR CA . 11467 1 245 . 1 1 64 64 THR CB C 13 68.712 0 . 1 . . . . 64 THR CB . 11467 1 246 . 1 1 64 64 THR N N 15 105.571 0.055 . 1 . . . . 64 THR N . 11467 1 247 . 1 1 65 65 SER H H 1 7.829 0.007 . 1 . . . . 65 SER HN . 11467 1 248 . 1 1 65 65 SER C C 13 173.823 0 . 1 . . . . 65 SER CO . 11467 1 249 . 1 1 65 65 SER CA C 13 63.368 0.027 . 1 . . . . 65 SER CA . 11467 1 250 . 1 1 65 65 SER CB C 13 70.77 0 . 1 . . . . 65 SER CB . 11467 1 251 . 1 1 65 65 SER N N 15 120.539 0.078 . 1 . . . . 65 SER N . 11467 1 252 . 1 1 66 66 HIS H H 1 7.473 0.004 . 1 . . . . 66 HIS HN . 11467 1 253 . 1 1 66 66 HIS C C 13 176.893 0 . 1 . . . . 66 HIS CO . 11467 1 254 . 1 1 66 66 HIS CA C 13 60.119 0 . 1 . . . . 66 HIS CA . 11467 1 255 . 1 1 66 66 HIS CB C 13 28.626 0 . 1 . . . . 66 HIS CB . 11467 1 256 . 1 1 66 66 HIS N N 15 117.492 0.073 . 1 . . . . 66 HIS N . 11467 1 257 . 1 1 67 67 GLU H H 1 7.361 0.005 . 1 . . . . 67 GLU HN . 11467 1 258 . 1 1 67 67 GLU C C 13 176.234 0 . 1 . . . . 67 GLU CO . 11467 1 259 . 1 1 67 67 GLU N N 15 115.567 0.052 . 1 . . . . 67 GLU N . 11467 1 260 . 1 1 68 68 THR H H 1 6.771 0.004 . 1 . . . . 68 THR HN . 11467 1 261 . 1 1 68 68 THR CA C 13 59.766 0.049 . 1 . . . . 68 THR CA . 11467 1 262 . 1 1 68 68 THR CB C 13 70.121 0 . 1 . . . . 68 THR CB . 11467 1 263 . 1 1 68 68 THR N N 15 101.968 0.062 . 1 . . . . 68 THR N . 11467 1 264 . 1 1 69 69 THR H H 1 6.79 0.005 . 1 . . . . 69 THR HN . 11467 1 265 . 1 1 69 69 THR C C 13 174.25 0 . 1 . . . . 69 THR CO . 11467 1 266 . 1 1 69 69 THR CA C 13 62.087 0.024 . 1 . . . . 69 THR CA . 11467 1 267 . 1 1 69 69 THR CB C 13 69.543 0 . 1 . . . . 69 THR CB . 11467 1 268 . 1 1 69 69 THR N N 15 117.71 0.046 . 1 . . . . 69 THR N . 11467 1 269 . 1 1 70 70 GLY H H 1 8.92 0.005 . 1 . . . . 70 GLY HN . 11467 1 270 . 1 1 70 70 GLY C C 13 174.772 0 . 1 . . . . 70 GLY CO . 11467 1 271 . 1 1 70 70 GLY CA C 13 45.216 0.016 . 1 . . . . 70 GLY CA . 11467 1 272 . 1 1 70 70 GLY N N 15 114.712 0.082 . 1 . . . . 70 GLY N . 11467 1 273 . 1 1 71 71 GLY H H 1 9.211 0.004 . 1 . . . . 71 GLY HN . 11467 1 274 . 1 1 71 71 GLY C C 13 171.112 0 . 1 . . . . 71 GLY CO . 11467 1 275 . 1 1 71 71 GLY CA C 13 45.677 0.001 . 1 . . . . 71 GLY CA . 11467 1 276 . 1 1 71 71 GLY N N 15 108.089 0.095 . 1 . . . . 71 GLY N . 11467 1 277 . 1 1 72 72 TRP H H 1 6.194 0.01 . 1 . . . . 72 TRP HN . 11467 1 278 . 1 1 72 72 TRP C C 13 176.285 0 . 1 . . . . 72 TRP CO . 11467 1 279 . 1 1 72 72 TRP CA C 13 57.116 0 . 1 . . . . 72 TRP CA . 11467 1 280 . 1 1 72 72 TRP N N 15 115.881 0.034 . 1 . . . . 72 TRP N . 11467 1 281 . 1 1 73 73 ALA H H 1 8.726 0.003 . 1 . . . . 73 ALA HN . 11467 1 282 . 1 1 73 73 ALA C C 13 178.966 0 . 1 . . . . 73 ALA CO . 11467 1 283 . 1 1 73 73 ALA CA C 13 56.215 0 . 1 . . . . 73 ALA CA . 11467 1 284 . 1 1 73 73 ALA CB C 13 18.921 0 . 1 . . . . 73 ALA CB . 11467 1 285 . 1 1 73 73 ALA N N 15 121.263 0.074 . 1 . . . . 73 ALA N . 11467 1 286 . 1 1 74 74 THR H H 1 6.724 0.005 . 1 . . . . 74 THR HN . 11467 1 287 . 1 1 74 74 THR C C 13 172.928 0 . 1 . . . . 74 THR CO . 11467 1 288 . 1 1 74 74 THR CA C 13 59.178 0.06 . 1 . . . . 74 THR CA . 11467 1 289 . 1 1 74 74 THR CB C 13 67.359 0 . 1 . . . . 74 THR CB . 11467 1 290 . 1 1 74 74 THR N N 15 103.778 0.092 . 1 . . . . 74 THR N . 11467 1 291 . 1 1 75 75 ALA H H 1 5.99 0.005 . 1 . . . . 75 ALA HN . 11467 1 292 . 1 1 75 75 ALA CA C 13 51.091 0 . 1 . . . . 75 ALA CA . 11467 1 293 . 1 1 75 75 ALA N N 15 125.093 0.087 . 1 . . . . 75 ALA N . 11467 1 294 . 1 1 77 77 ASP H H 1 8.878 0.004 . 1 . . . . 77 ASP HN . 11467 1 295 . 1 1 77 77 ASP C C 13 174.753 0 . 1 . . . . 77 ASP CO . 11467 1 296 . 1 1 77 77 ASP CA C 13 57.276 0.084 . 1 . . . . 77 ASP CA . 11467 1 297 . 1 1 77 77 ASP CB C 13 40.953 0 . 1 . . . . 77 ASP CB . 11467 1 298 . 1 1 77 77 ASP N N 15 115.526 0.088 . 1 . . . . 77 ASP N . 11467 1 299 . 1 1 78 78 GLY H H 1 8.154 0.004 . 1 . . . . 78 GLY HN . 11467 1 300 . 1 1 78 78 GLY C C 13 172.726 0 . 1 . . . . 78 GLY CO . 11467 1 301 . 1 1 78 78 GLY CA C 13 44.34 0.03 . 1 . . . . 78 GLY CA . 11467 1 302 . 1 1 78 78 GLY N N 15 107.62 0.079 . 1 . . . . 78 GLY N . 11467 1 303 . 1 1 79 79 ALA H H 1 8.068 0.004 . 1 . . . . 79 ALA HN . 11467 1 304 . 1 1 79 79 ALA C C 13 178.092 0 . 1 . . . . 79 ALA CO . 11467 1 305 . 1 1 79 79 ALA CA C 13 54.643 0.069 . 1 . . . . 79 ALA CA . 11467 1 306 . 1 1 79 79 ALA CB C 13 17.527 0 . 1 . . . . 79 ALA CB . 11467 1 307 . 1 1 79 79 ALA N N 15 118.481 0.062 . 1 . . . . 79 ALA N . 11467 1 308 . 1 1 80 80 PHE H H 1 7.252 0.003 . 1 . . . . 80 PHE HN . 11467 1 309 . 1 1 80 80 PHE C C 13 174.867 0 . 1 . . . . 80 PHE CO . 11467 1 310 . 1 1 80 80 PHE CA C 13 55.667 0 . 1 . . . . 80 PHE CA . 11467 1 311 . 1 1 80 80 PHE CB C 13 35.738 0 . 1 . . . . 80 PHE CB . 11467 1 312 . 1 1 80 80 PHE N N 15 115.327 0.039 . 1 . . . . 80 PHE N . 11467 1 313 . 1 1 81 81 ALA H H 1 7.207 0.005 . 1 . . . . 81 ALA HN . 11467 1 314 . 1 1 81 81 ALA C C 13 178.235 0 . 1 . . . . 81 ALA CO . 11467 1 315 . 1 1 81 81 ALA CA C 13 51.416 0 . 1 . . . . 81 ALA CA . 11467 1 316 . 1 1 81 81 ALA CB C 13 20.664 0 . 1 . . . . 81 ALA CB . 11467 1 317 . 1 1 81 81 ALA N N 15 117.538 0.049 . 1 . . . . 81 ALA N . 11467 1 318 . 1 1 83 83 GLY H H 1 9.483 0.008 . 1 . . . . 83 GLY HN . 11467 1 319 . 1 1 83 83 GLY C C 13 171.056 0 . 1 . . . . 83 GLY CO . 11467 1 320 . 1 1 83 83 GLY CA C 13 45.752 0.018 . 1 . . . . 83 GLY CA . 11467 1 321 . 1 1 83 83 GLY N N 15 108.478 0.095 . 1 . . . . 83 GLY N . 11467 1 322 . 1 1 84 84 TYR H H 1 7.828 0.007 . 1 . . . . 84 TYR HN . 11467 1 323 . 1 1 84 84 TYR C C 13 173.113 0 . 1 . . . . 84 TYR CO . 11467 1 324 . 1 1 84 84 TYR CB C 13 32.083 0 . 1 . . . . 84 TYR CB . 11467 1 325 . 1 1 84 84 TYR N N 15 114.642 0.055 . 1 . . . . 84 TYR N . 11467 1 326 . 1 1 85 85 CYS H H 1 8.154 0.004 . 1 . . . . 85 CYS HN . 11467 1 327 . 1 1 85 85 CYS C C 13 172.896 0 . 1 . . . . 85 CYS CO . 11467 1 328 . 1 1 85 85 CYS CA C 13 54.05 0 . 1 . . . . 85 CYS CA . 11467 1 329 . 1 1 85 85 CYS CB C 13 41.246 0 . 1 . . . . 85 CYS CB . 11467 1 330 . 1 1 85 85 CYS N N 15 113.986 0.042 . 1 . . . . 85 CYS N . 11467 1 331 . 1 1 86 86 PHE H H 1 7.419 0.004 . 1 . . . . 86 PHE HN . 11467 1 332 . 1 1 86 86 PHE C C 13 174.935 0 . 1 . . . . 86 PHE CO . 11467 1 333 . 1 1 86 86 PHE CA C 13 56.634 0 . 1 . . . . 86 PHE CA . 11467 1 334 . 1 1 86 86 PHE CB C 13 42.56 0 . 1 . . . . 86 PHE CB . 11467 1 335 . 1 1 86 86 PHE N N 15 111.693 0.067 . 1 . . . . 86 PHE N . 11467 1 336 . 1 1 87 87 LYS H H 1 9.799 0.008 . 1 . . . . 87 LYS HN . 11467 1 337 . 1 1 87 87 LYS C C 13 174.249 0 . 1 . . . . 87 LYS CO . 11467 1 338 . 1 1 87 87 LYS CA C 13 55.735 0 . 1 . . . . 87 LYS CA . 11467 1 339 . 1 1 87 87 LYS CB C 13 35.382 0 . 1 . . . . 87 LYS CB . 11467 1 340 . 1 1 87 87 LYS N N 15 115.13 0.079 . 1 . . . . 87 LYS N . 11467 1 341 . 1 1 88 88 GLN H H 1 8.233 0.006 . 1 . . . . 88 GLN HN . 11467 1 342 . 1 1 88 88 GLN C C 13 173.252 0 . 1 . . . . 88 GLN CO . 11467 1 343 . 1 1 88 88 GLN CB C 13 32.54 0 . 1 . . . . 88 GLN CB . 11467 1 344 . 1 1 88 88 GLN N N 15 120.827 0.07 . 1 . . . . 88 GLN N . 11467 1 345 . 1 1 89 89 GLU H H 1 8.458 0.005 . 1 . . . . 89 GLU HN . 11467 1 346 . 1 1 89 89 GLU C C 13 175.258 0 . 1 . . . . 89 GLU CO . 11467 1 347 . 1 1 89 89 GLU CA C 13 56.88 0.008 . 1 . . . . 89 GLU CA . 11467 1 348 . 1 1 89 89 GLU CB C 13 30.856 0 . 1 . . . . 89 GLU CB . 11467 1 349 . 1 1 89 89 GLU N N 15 124.914 0.084 . 1 . . . . 89 GLU N . 11467 1 350 . 1 1 90 90 ARG H H 1 8.43 0.003 . 1 . . . . 90 ARG HN . 11467 1 351 . 1 1 90 90 ARG C C 13 176.916 0 . 1 . . . . 90 ARG CO . 11467 1 352 . 1 1 90 90 ARG N N 15 127.236 0.069 . 1 . . . . 90 ARG N . 11467 1 353 . 1 1 91 91 GLY H H 1 8.441 0.003 . 1 . . . . 91 GLY HN . 11467 1 354 . 1 1 91 91 GLY C C 13 173.916 0 . 1 . . . . 91 GLY CO . 11467 1 355 . 1 1 91 91 GLY CA C 13 45.439 0.041 . 1 . . . . 91 GLY CA . 11467 1 356 . 1 1 91 91 GLY N N 15 110.346 0.084 . 1 . . . . 91 GLY N . 11467 1 357 . 1 1 92 92 ALA H H 1 7.707 0.003 . 1 . . . . 92 ALA HN . 11467 1 358 . 1 1 92 92 ALA C C 13 177.264 0 . 1 . . . . 92 ALA CO . 11467 1 359 . 1 1 92 92 ALA CA C 13 52.575 0.053 . 1 . . . . 92 ALA CA . 11467 1 360 . 1 1 92 92 ALA CB C 13 18.159 0 . 1 . . . . 92 ALA CB . 11467 1 361 . 1 1 92 92 ALA N N 15 122.907 0.059 . 1 . . . . 92 ALA N . 11467 1 362 . 1 1 93 93 ALA H H 1 8.324 0.003 . 1 . . . . 93 ALA HN . 11467 1 363 . 1 1 93 93 ALA C C 13 176.394 0 . 1 . . . . 93 ALA CO . 11467 1 364 . 1 1 93 93 ALA CA C 13 52.488 0 . 1 . . . . 93 ALA CA . 11467 1 365 . 1 1 93 93 ALA CB C 13 19.228 0 . 1 . . . . 93 ALA CB . 11467 1 366 . 1 1 93 93 ALA N N 15 124.798 0.06 . 1 . . . . 93 ALA N . 11467 1 367 . 1 1 94 94 ALA H H 1 7.653 0.004 . 1 . . . . 94 ALA HN . 11467 1 368 . 1 1 94 94 ALA C C 13 176.074 0 . 1 . . . . 94 ALA CO . 11467 1 369 . 1 1 94 94 ALA CA C 13 51.339 0 . 1 . . . . 94 ALA CA . 11467 1 370 . 1 1 94 94 ALA CB C 13 19.79 0 . 1 . . . . 94 ALA CB . 11467 1 371 . 1 1 94 94 ALA N N 15 121.957 0.068 . 1 . . . . 94 ALA N . 11467 1 372 . 1 1 95 95 ASP H H 1 8.311 0.003 . 1 . . . . 95 ASP HN . 11467 1 373 . 1 1 95 95 ASP C C 13 177.287 0 . 1 . . . . 95 ASP CO . 11467 1 374 . 1 1 95 95 ASP CA C 13 55.478 0.042 . 1 . . . . 95 ASP CA . 11467 1 375 . 1 1 95 95 ASP CB C 13 40.876 0 . 1 . . . . 95 ASP CB . 11467 1 376 . 1 1 95 95 ASP N N 15 115.2 0.068 . 1 . . . . 95 ASP N . 11467 1 377 . 1 1 96 96 TYR H H 1 8.285 0.006 . 1 . . . . 96 TYR HN . 11467 1 378 . 1 1 96 96 TYR C C 13 173.97 0 . 1 . . . . 96 TYR CO . 11467 1 379 . 1 1 96 96 TYR CA C 13 59.057 0 . 1 . . . . 96 TYR CA . 11467 1 380 . 1 1 96 96 TYR CB C 13 36.662 0 . 1 . . . . 96 TYR CB . 11467 1 381 . 1 1 96 96 TYR N N 15 116.536 0.095 . 1 . . . . 96 TYR N . 11467 1 382 . 1 1 97 97 CYS H H 1 8.232 0.004 . 1 . . . . 97 CYS HN . 11467 1 383 . 1 1 97 97 CYS C C 13 175.379 0 . 1 . . . . 97 CYS CO . 11467 1 384 . 1 1 97 97 CYS CA C 13 55.136 0 . 1 . . . . 97 CYS CA . 11467 1 385 . 1 1 97 97 CYS CB C 13 42.237 0 . 1 . . . . 97 CYS CB . 11467 1 386 . 1 1 97 97 CYS N N 15 116.567 0.056 . 1 . . . . 97 CYS N . 11467 1 387 . 1 1 98 98 THR H H 1 9.628 0.004 . 1 . . . . 98 THR HN . 11467 1 388 . 1 1 98 98 THR C C 13 172.013 0 . 1 . . . . 98 THR CO . 11467 1 389 . 1 1 98 98 THR CA C 13 59.805 0.019 . 1 . . . . 98 THR CA . 11467 1 390 . 1 1 98 98 THR CB C 13 71.085 0 . 1 . . . . 98 THR CB . 11467 1 391 . 1 1 98 98 THR N N 15 131.021 0.091 . 1 . . . . 98 THR N . 11467 1 392 . 1 1 100 100 SER H H 1 7.761 0.003 . 1 . . . . 100 SER HN . 11467 1 393 . 1 1 100 100 SER C C 13 174.019 0 . 1 . . . . 100 SER CO . 11467 1 394 . 1 1 100 100 SER CA C 13 56.812 0 . 1 . . . . 100 SER CA . 11467 1 395 . 1 1 100 100 SER CB C 13 64.802 0 . 1 . . . . 100 SER CB . 11467 1 396 . 1 1 100 100 SER N N 15 117.145 0.095 . 1 . . . . 100 SER N . 11467 1 397 . 1 1 101 101 ALA H H 1 8.707 0.004 . 1 . . . . 101 ALA HN . 11467 1 398 . 1 1 101 101 ALA C C 13 178.623 0 . 1 . . . . 101 ALA CO . 11467 1 399 . 1 1 101 101 ALA CA C 13 53.623 0 . 1 . . . . 101 ALA CA . 11467 1 400 . 1 1 101 101 ALA CB C 13 18.227 0 . 1 . . . . 101 ALA CB . 11467 1 401 . 1 1 101 101 ALA N N 15 128.688 0.06 . 1 . . . . 101 ALA N . 11467 1 402 . 1 1 102 102 GLN H H 1 7.68 0.003 . 1 . . . . 102 GLN HN . 11467 1 403 . 1 1 102 102 GLN C C 13 175.057 0 . 1 . . . . 102 GLN CO . 11467 1 404 . 1 1 102 102 GLN CA C 13 57.644 0.037 . 1 . . . . 102 GLN CA . 11467 1 405 . 1 1 102 102 GLN CB C 13 28.947 0 . 1 . . . . 102 GLN CB . 11467 1 406 . 1 1 102 102 GLN N N 15 116.481 0.075 . 1 . . . . 102 GLN N . 11467 1 407 . 1 1 103 103 TRP H H 1 7.389 0.003 . 1 . . . . 103 TRP HN . 11467 1 408 . 1 1 103 103 TRP C C 13 170.884 0 . 1 . . . . 103 TRP CO . 11467 1 409 . 1 1 103 103 TRP CA C 13 50.962 0.046 . 1 . . . . 103 TRP CA . 11467 1 410 . 1 1 103 103 TRP N N 15 116.464 0.054 . 1 . . . . 103 TRP N . 11467 1 411 . 1 1 108 108 GLY H H 1 9.035 0.003 . 1 . . . . 108 GLY HN . 11467 1 412 . 1 1 108 108 GLY C C 13 173.972 0 . 1 . . . . 108 GLY CO . 11467 1 413 . 1 1 108 108 GLY CA C 13 45.615 0.005 . 1 . . . . 108 GLY CA . 11467 1 414 . 1 1 108 108 GLY N N 15 112.396 0.086 . 1 . . . . 108 GLY N . 11467 1 415 . 1 1 109 109 LYS H H 1 7.405 0.003 . 1 . . . . 109 LYS HN . 11467 1 416 . 1 1 109 109 LYS C C 13 175.926 0 . 1 . . . . 109 LYS CO . 11467 1 417 . 1 1 109 109 LYS CA C 13 52.668 0.046 . 1 . . . . 109 LYS CA . 11467 1 418 . 1 1 109 109 LYS CB C 13 32.065 0 . 1 . . . . 109 LYS CB . 11467 1 419 . 1 1 109 109 LYS N N 15 117.568 0.05 . 1 . . . . 109 LYS N . 11467 1 420 . 1 1 110 110 ARG H H 1 8.205 0.003 . 1 . . . . 110 ARG HN . 11467 1 421 . 1 1 110 110 ARG CA C 13 54.371 0.068 . 1 . . . . 110 ARG CA . 11467 1 422 . 1 1 110 110 ARG CB C 13 34.505 0 . 1 . . . . 110 ARG CB . 11467 1 423 . 1 1 110 110 ARG N N 15 117.156 0.061 . 1 . . . . 110 ARG N . 11467 1 424 . 1 1 111 111 TYR H H 1 8.953 0.004 . 1 . . . . 111 TYR HN . 11467 1 425 . 1 1 111 111 TYR C C 13 173.585 0 . 1 . . . . 111 TYR CO . 11467 1 426 . 1 1 111 111 TYR CA C 13 56.983 0 . 1 . . . . 111 TYR CA . 11467 1 427 . 1 1 111 111 TYR CB C 13 35.987 0 . 1 . . . . 111 TYR CB . 11467 1 428 . 1 1 111 111 TYR N N 15 123.909 0.087 . 1 . . . . 111 TYR N . 11467 1 429 . 1 1 113 113 GLY H H 1 8.971 0.005 . 1 . . . . 113 GLY HN . 11467 1 430 . 1 1 113 113 GLY C C 13 174.919 0 . 1 . . . . 113 GLY CO . 11467 1 431 . 1 1 113 113 GLY CA C 13 46.517 0.062 . 1 . . . . 113 GLY CA . 11467 1 432 . 1 1 113 113 GLY N N 15 105.387 0.094 . 1 . . . . 113 GLY N . 11467 1 433 . 1 1 114 114 ARG H H 1 7.599 0.005 . 1 . . . . 114 ARG HN . 11467 1 434 . 1 1 114 114 ARG C C 13 177.199 0 . 1 . . . . 114 ARG CO . 11467 1 435 . 1 1 114 114 ARG CA C 13 55.036 0 . 1 . . . . 114 ARG CA . 11467 1 436 . 1 1 114 114 ARG CB C 13 37.546 0 . 1 . . . . 114 ARG CB . 11467 1 437 . 1 1 114 114 ARG N N 15 119.127 0.064 . 1 . . . . 114 ARG N . 11467 1 438 . 1 1 115 115 GLY H H 1 8.804 0.003 . 1 . . . . 115 GLY HN . 11467 1 439 . 1 1 115 115 GLY C C 13 172.742 0 . 1 . . . . 115 GLY CO . 11467 1 440 . 1 1 115 115 GLY CA C 13 46.352 0 . 1 . . . . 115 GLY CA . 11467 1 441 . 1 1 115 115 GLY N N 15 107.945 0.065 . 1 . . . . 115 GLY N . 11467 1 442 . 1 1 117 117 ILE H H 1 7.486 0.005 . 1 . . . . 117 ILE HN . 11467 1 443 . 1 1 117 117 ILE C C 13 173.958 0 . 1 . . . . 117 ILE CO . 11467 1 444 . 1 1 117 117 ILE CA C 13 53.757 0.009 . 1 . . . . 117 ILE CA . 11467 1 445 . 1 1 117 117 ILE CB C 13 43.587 0 . 1 . . . . 117 ILE CB . 11467 1 446 . 1 1 117 117 ILE N N 15 108.281 0.087 . 1 . . . . 117 ILE N . 11467 1 447 . 1 1 118 118 GLN H H 1 7.715 0.004 . 1 . . . . 118 GLN HN . 11467 1 448 . 1 1 118 118 GLN C C 13 174.353 0 . 1 . . . . 118 GLN CO . 11467 1 449 . 1 1 118 118 GLN CA C 13 55.316 0 . 1 . . . . 118 GLN CA . 11467 1 450 . 1 1 118 118 GLN CB C 13 26.508 0 . 1 . . . . 118 GLN CB . 11467 1 451 . 1 1 118 118 GLN N N 15 118.488 0.076 . 1 . . . . 118 GLN N . 11467 1 452 . 1 1 119 119 LEU H H 1 6.713 0.006 . 1 . . . . 119 LEU HN . 11467 1 453 . 1 1 119 119 LEU C C 13 175.154 0 . 1 . . . . 119 LEU CO . 11467 1 454 . 1 1 119 119 LEU CA C 13 55.845 0 . 1 . . . . 119 LEU CA . 11467 1 455 . 1 1 119 119 LEU CB C 13 43.213 0 . 1 . . . . 119 LEU CB . 11467 1 456 . 1 1 119 119 LEU N N 15 121.247 0.079 . 1 . . . . 119 LEU N . 11467 1 457 . 1 1 120 120 SER H H 1 8.636 0.004 . 1 . . . . 120 SER HN . 11467 1 458 . 1 1 120 120 SER C C 13 174.364 0 . 1 . . . . 120 SER CO . 11467 1 459 . 1 1 120 120 SER CA C 13 57.591 0 . 1 . . . . 120 SER CA . 11467 1 460 . 1 1 120 120 SER CB C 13 66.747 0 . 1 . . . . 120 SER CB . 11467 1 461 . 1 1 120 120 SER N N 15 119.872 0.07 . 1 . . . . 120 SER N . 11467 1 462 . 1 1 121 121 HIS H H 1 8.825 0.004 . 1 . . . . 121 HIS HN . 11467 1 463 . 1 1 121 121 HIS C C 13 177.135 0 . 1 . . . . 121 HIS CO . 11467 1 464 . 1 1 121 121 HIS CA C 13 58.784 0.061 . 1 . . . . 121 HIS CA . 11467 1 465 . 1 1 121 121 HIS CB C 13 26.724 0 . 1 . . . . 121 HIS CB . 11467 1 466 . 1 1 121 121 HIS N N 15 107.956 0.073 . 1 . . . . 121 HIS N . 11467 1 467 . 1 1 122 122 ASN H H 1 9.391 0.003 . 1 . . . . 122 ASN HN . 11467 1 468 . 1 1 122 122 ASN C C 13 174.63 0 . 1 . . . . 122 ASN CO . 11467 1 469 . 1 1 122 122 ASN CA C 13 58.195 0.033 . 1 . . . . 122 ASN CA . 11467 1 470 . 1 1 122 122 ASN CB C 13 35.58 0 . 1 . . . . 122 ASN CB . 11467 1 471 . 1 1 122 122 ASN N N 15 124.041 0.081 . 1 . . . . 122 ASN N . 11467 1 472 . 1 1 123 123 TYR H H 1 6.218 0.007 . 1 . . . . 123 TYR HN . 11467 1 473 . 1 1 123 123 TYR C C 13 172.723 0 . 1 . . . . 123 TYR CO . 11467 1 474 . 1 1 123 123 TYR CA C 13 57.156 0 . 1 . . . . 123 TYR CA . 11467 1 475 . 1 1 123 123 TYR CB C 13 36.324 0 . 1 . . . . 123 TYR CB . 11467 1 476 . 1 1 123 123 TYR N N 15 109.865 0.089 . 1 . . . . 123 TYR N . 11467 1 477 . 1 1 124 124 ASN H H 1 7.068 0.005 . 1 . . . . 124 ASN HN . 11467 1 478 . 1 1 124 124 ASN C C 13 175.044 0 . 1 . . . . 124 ASN CO . 11467 1 479 . 1 1 124 124 ASN CA C 13 54.518 0.031 . 1 . . . . 124 ASN CA . 11467 1 480 . 1 1 124 124 ASN CB C 13 39.111 0 . 1 . . . . 124 ASN CB . 11467 1 481 . 1 1 124 124 ASN N N 15 117.074 0.097 . 1 . . . . 124 ASN N . 11467 1 482 . 1 1 125 125 TYR H H 1 7.737 0.011 . 1 . . . . 125 TYR HN . 11467 1 483 . 1 1 125 125 TYR C C 13 177.287 0 . 1 . . . . 125 TYR CO . 11467 1 484 . 1 1 125 125 TYR CA C 13 62.91 0 . 1 . . . . 125 TYR CA . 11467 1 485 . 1 1 125 125 TYR CB C 13 37.961 0 . 1 . . . . 125 TYR CB . 11467 1 486 . 1 1 125 125 TYR N N 15 119.372 0.076 . 1 . . . . 125 TYR N . 11467 1 487 . 1 1 126 126 GLY H H 1 7.78 0.004 . 1 . . . . 126 GLY HN . 11467 1 488 . 1 1 126 126 GLY C C 13 171.707 0 . 1 . . . . 126 GLY CO . 11467 1 489 . 1 1 126 126 GLY CA C 13 47.828 0 . 1 . . . . 126 GLY CA . 11467 1 490 . 1 1 126 126 GLY N N 15 101.271 0.083 . 1 . . . . 126 GLY N . 11467 1 491 . 1 1 128 128 ALA H H 1 6.519 0.002 . 1 . . . . 128 ALA HN . 11467 1 492 . 1 1 128 128 ALA CA C 13 54.476 0 . 1 . . . . 128 ALA CA . 11467 1 493 . 1 1 128 128 ALA CB C 13 17.875 0 . 1 . . . . 128 ALA CB . 11467 1 494 . 1 1 128 128 ALA N N 15 121.499 0.085 . 1 . . . . 128 ALA N . 11467 1 495 . 1 1 129 129 GLY H H 1 7.734 0.004 . 1 . . . . 129 GLY HN . 11467 1 496 . 1 1 129 129 GLY C C 13 177.083 0 . 1 . . . . 129 GLY CO . 11467 1 497 . 1 1 129 129 GLY CA C 13 47.946 0 . 1 . . . . 129 GLY CA . 11467 1 498 . 1 1 129 129 GLY N N 15 104.074 0.074 . 1 . . . . 129 GLY N . 11467 1 499 . 1 1 130 130 ARG H H 1 7.761 0.005 . 1 . . . . 130 ARG HN . 11467 1 500 . 1 1 130 130 ARG C C 13 178.829 0 . 1 . . . . 130 ARG CO . 11467 1 501 . 1 1 130 130 ARG CA C 13 58.413 0 . 1 . . . . 130 ARG CA . 11467 1 502 . 1 1 130 130 ARG CB C 13 29.526 0 . 1 . . . . 130 ARG CB . 11467 1 503 . 1 1 130 130 ARG N N 15 121.747 0.046 . 1 . . . . 130 ARG N . 11467 1 504 . 1 1 131 131 ALA H H 1 7.569 0.003 . 1 . . . . 131 ALA HN . 11467 1 505 . 1 1 131 131 ALA C C 13 179.597 0 . 1 . . . . 131 ALA CO . 11467 1 506 . 1 1 131 131 ALA CA C 13 54.694 0.077 . 1 . . . . 131 ALA CA . 11467 1 507 . 1 1 131 131 ALA CB C 13 19.459 0 . 1 . . . . 131 ALA CB . 11467 1 508 . 1 1 131 131 ALA N N 15 119.286 0.059 . 1 . . . . 131 ALA N . 11467 1 509 . 1 1 132 132 ILE H H 1 7.603 0.003 . 1 . . . . 132 ILE HN . 11467 1 510 . 1 1 132 132 ILE C C 13 176.189 0 . 1 . . . . 132 ILE CO . 11467 1 511 . 1 1 132 132 ILE CA C 13 61.121 0.071 . 1 . . . . 132 ILE CA . 11467 1 512 . 1 1 132 132 ILE CB C 13 39.105 0 . 1 . . . . 132 ILE CB . 11467 1 513 . 1 1 132 132 ILE N N 15 109.157 0.081 . 1 . . . . 132 ILE N . 11467 1 514 . 1 1 133 133 GLY H H 1 7.976 0.004 . 1 . . . . 133 GLY HN . 11467 1 515 . 1 1 133 133 GLY C C 13 174.096 0 . 1 . . . . 133 GLY CO . 11467 1 516 . 1 1 133 133 GLY CA C 13 46.308 0 . 1 . . . . 133 GLY CA . 11467 1 517 . 1 1 133 133 GLY N N 15 111.797 0.082 . 1 . . . . 133 GLY N . 11467 1 518 . 1 1 134 134 VAL H H 1 8.082 0.004 . 1 . . . . 134 VAL HN . 11467 1 519 . 1 1 134 134 VAL C C 13 173.805 0 . 1 . . . . 134 VAL CO . 11467 1 520 . 1 1 134 134 VAL CA C 13 60.441 0.005 . 1 . . . . 134 VAL CA . 11467 1 521 . 1 1 134 134 VAL CB C 13 35.898 0 . 1 . . . . 134 VAL CB . 11467 1 522 . 1 1 134 134 VAL N N 15 118.378 0.083 . 1 . . . . 134 VAL N . 11467 1 523 . 1 1 135 135 ASP H H 1 8.56 0.003 . 1 . . . . 135 ASP HN . 11467 1 524 . 1 1 135 135 ASP C C 13 176.408 0 . 1 . . . . 135 ASP CO . 11467 1 525 . 1 1 135 135 ASP CA C 13 52.907 0.057 . 1 . . . . 135 ASP CA . 11467 1 526 . 1 1 135 135 ASP CB C 13 39.08 0 . 1 . . . . 135 ASP CB . 11467 1 527 . 1 1 135 135 ASP N N 15 123.749 0.058 . 1 . . . . 135 ASP N . 11467 1 528 . 1 1 136 136 LEU H H 1 8.081 0.006 . 1 . . . . 136 LEU HN . 11467 1 529 . 1 1 136 136 LEU C C 13 179.288 0 . 1 . . . . 136 LEU CO . 11467 1 530 . 1 1 136 136 LEU CA C 13 54.452 0.025 . 1 . . . . 136 LEU CA . 11467 1 531 . 1 1 136 136 LEU CB C 13 42.142 0 . 1 . . . . 136 LEU CB . 11467 1 532 . 1 1 136 136 LEU N N 15 126.415 0.066 . 1 . . . . 136 LEU N . 11467 1 533 . 1 1 141 141 ASP H H 1 7.534 0.004 . 1 . . . . 141 ASP HN . 11467 1 534 . 1 1 141 141 ASP C C 13 177.189 0 . 1 . . . . 141 ASP CO . 11467 1 535 . 1 1 141 141 ASP CA C 13 57.108 0.092 . 1 . . . . 141 ASP CA . 11467 1 536 . 1 1 141 141 ASP CB C 13 41.048 0 . 1 . . . . 141 ASP CB . 11467 1 537 . 1 1 141 141 ASP N N 15 114.956 0.066 . 1 . . . . 141 ASP N . 11467 1 538 . 1 1 142 142 LEU H H 1 7.437 0.003 . 1 . . . . 142 LEU HN . 11467 1 539 . 1 1 142 142 LEU C C 13 178.494 0 . 1 . . . . 142 LEU CO . 11467 1 540 . 1 1 142 142 LEU CA C 13 57.251 0 . 1 . . . . 142 LEU CA . 11467 1 541 . 1 1 142 142 LEU CB C 13 43.272 0 . 1 . . . . 142 LEU CB . 11467 1 542 . 1 1 142 142 LEU N N 15 120.727 0.055 . 1 . . . . 142 LEU N . 11467 1 543 . 1 1 143 143 VAL H H 1 7.608 0.003 . 1 . . . . 143 VAL HN . 11467 1 544 . 1 1 143 143 VAL C C 13 174.678 0 . 1 . . . . 143 VAL CO . 11467 1 545 . 1 1 143 143 VAL CA C 13 65.345 0 . 1 . . . . 143 VAL CA . 11467 1 546 . 1 1 143 143 VAL CB C 13 31.519 0 . 1 . . . . 143 VAL CB . 11467 1 547 . 1 1 143 143 VAL N N 15 114.173 0.042 . 1 . . . . 143 VAL N . 11467 1 548 . 1 1 144 144 ALA H H 1 7.929 0.003 . 1 . . . . 144 ALA HN . 11467 1 549 . 1 1 144 144 ALA C C 13 175.182 0 . 1 . . . . 144 ALA CO . 11467 1 550 . 1 1 144 144 ALA CA C 13 51.311 0.044 . 1 . . . . 144 ALA CA . 11467 1 551 . 1 1 144 144 ALA CB C 13 20.335 0 . 1 . . . . 144 ALA CB . 11467 1 552 . 1 1 144 144 ALA N N 15 117.9 0.084 . 1 . . . . 144 ALA N . 11467 1 553 . 1 1 145 145 THR H H 1 7.548 0.004 . 1 . . . . 145 THR HN . 11467 1 554 . 1 1 145 145 THR C C 13 174.364 0 . 1 . . . . 145 THR CO . 11467 1 555 . 1 1 145 145 THR CA C 13 62.841 0 . 1 . . . . 145 THR CA . 11467 1 556 . 1 1 145 145 THR CB C 13 70.397 0 . 1 . . . . 145 THR CB . 11467 1 557 . 1 1 145 145 THR N N 15 107.437 0.081 . 1 . . . . 145 THR N . 11467 1 558 . 1 1 146 146 ASP H H 1 8.335 0.005 . 1 . . . . 146 ASP HN . 11467 1 559 . 1 1 146 146 ASP CA C 13 50.452 0.005 . 1 . . . . 146 ASP CA . 11467 1 560 . 1 1 146 146 ASP CB C 13 43.072 0 . 1 . . . . 146 ASP CB . 11467 1 561 . 1 1 146 146 ASP N N 15 125.974 0.074 . 1 . . . . 146 ASP N . 11467 1 562 . 1 1 150 150 SER H H 1 8.903 0.002 . 1 . . . . 150 SER HN . 11467 1 563 . 1 1 150 150 SER CA C 13 64.85 0 . 1 . . . . 150 SER CA . 11467 1 564 . 1 1 150 150 SER CB C 13 66.445 0 . 1 . . . . 150 SER CB . 11467 1 565 . 1 1 150 150 SER N N 15 115.058 0.073 . 1 . . . . 150 SER N . 11467 1 566 . 1 1 151 151 PHE H H 1 8.612 0.005 . 1 . . . . 151 PHE HN . 11467 1 567 . 1 1 151 151 PHE C C 13 178.676 0 . 1 . . . . 151 PHE CO . 11467 1 568 . 1 1 151 151 PHE CA C 13 64.481 0.029 . 1 . . . . 151 PHE CA . 11467 1 569 . 1 1 151 151 PHE CB C 13 40.391 0 . 1 . . . . 151 PHE CB . 11467 1 570 . 1 1 151 151 PHE N N 15 117.149 0.088 . 1 . . . . 151 PHE N . 11467 1 571 . 1 1 152 152 LYS H H 1 9.054 0.004 . 1 . . . . 152 LYS HN . 11467 1 572 . 1 1 152 152 LYS C C 13 179.002 0 . 1 . . . . 152 LYS CO . 11467 1 573 . 1 1 152 152 LYS CA C 13 61.935 0.042 . 1 . . . . 152 LYS CA . 11467 1 574 . 1 1 152 152 LYS CB C 13 33.847 0 . 1 . . . . 152 LYS CB . 11467 1 575 . 1 1 152 152 LYS N N 15 119.538 0.066 . 1 . . . . 152 LYS N . 11467 1 576 . 1 1 153 153 THR H H 1 8.607 0.002 . 1 . . . . 153 THR HN . 11467 1 577 . 1 1 153 153 THR C C 13 175.215 0 . 1 . . . . 153 THR CO . 11467 1 578 . 1 1 153 153 THR CA C 13 66.451 0.016 . 1 . . . . 153 THR CA . 11467 1 579 . 1 1 153 153 THR CB C 13 69.727 0 . 1 . . . . 153 THR CB . 11467 1 580 . 1 1 153 153 THR N N 15 108.545 0.091 . 1 . . . . 153 THR N . 11467 1 581 . 1 1 154 154 ALA H H 1 7.162 0.005 . 1 . . . . 154 ALA HN . 11467 1 582 . 1 1 154 154 ALA C C 13 179.038 0 . 1 . . . . 154 ALA CO . 11467 1 583 . 1 1 154 154 ALA CA C 13 54.309 0.031 . 1 . . . . 154 ALA CA . 11467 1 584 . 1 1 154 154 ALA CB C 13 19.899 0 . 1 . . . . 154 ALA CB . 11467 1 585 . 1 1 154 154 ALA N N 15 124.179 0.07 . 1 . . . . 154 ALA N . 11467 1 586 . 1 1 155 155 LEU H H 1 8.483 0.005 . 1 . . . . 155 LEU HN . 11467 1 587 . 1 1 155 155 LEU C C 13 177.488 0 . 1 . . . . 155 LEU CO . 11467 1 588 . 1 1 155 155 LEU CA C 13 57.176 0 . 1 . . . . 155 LEU CA . 11467 1 589 . 1 1 155 155 LEU CB C 13 41.912 0 . 1 . . . . 155 LEU CB . 11467 1 590 . 1 1 155 155 LEU N N 15 122.001 0.079 . 1 . . . . 155 LEU N . 11467 1 591 . 1 1 156 156 TRP H H 1 8.662 0.003 . 1 . . . . 156 TRP HN . 11467 1 592 . 1 1 156 156 TRP C C 13 178.326 0 . 1 . . . . 156 TRP CO . 11467 1 593 . 1 1 156 156 TRP CA C 13 62.496 0.01 . 1 . . . . 156 TRP CA . 11467 1 594 . 1 1 156 156 TRP CB C 13 26.782 0 . 1 . . . . 156 TRP CB . 11467 1 595 . 1 1 156 156 TRP N N 15 121.23 0.063 . 1 . . . . 156 TRP N . 11467 1 596 . 1 1 157 157 PHE H H 1 7.762 0.004 . 1 . . . . 157 PHE HN . 11467 1 597 . 1 1 157 157 PHE C C 13 177.582 0 . 1 . . . . 157 PHE CO . 11467 1 598 . 1 1 157 157 PHE CA C 13 61.294 0.078 . 1 . . . . 157 PHE CA . 11467 1 599 . 1 1 157 157 PHE CB C 13 39.241 0 . 1 . . . . 157 PHE CB . 11467 1 600 . 1 1 157 157 PHE N N 15 120.082 0.053 . 1 . . . . 157 PHE N . 11467 1 601 . 1 1 158 158 TRP H H 1 8.391 0.004 . 1 . . . . 158 TRP HN . 11467 1 602 . 1 1 158 158 TRP C C 13 174.875 0 . 1 . . . . 158 TRP CO . 11467 1 603 . 1 1 158 158 TRP CA C 13 59.844 0 . 1 . . . . 158 TRP CA . 11467 1 604 . 1 1 158 158 TRP CB C 13 32.082 0 . 1 . . . . 158 TRP CB . 11467 1 605 . 1 1 158 158 TRP N N 15 121.294 0.071 . 1 . . . . 158 TRP N . 11467 1 606 . 1 1 159 159 MET H H 1 7.625 0.003 . 1 . . . . 159 MET HN . 11467 1 607 . 1 1 159 159 MET C C 13 177.29 0 . 1 . . . . 159 MET CO . 11467 1 608 . 1 1 159 159 MET CA C 13 53.358 0 . 1 . . . . 159 MET CA . 11467 1 609 . 1 1 159 159 MET CB C 13 31.633 0 . 1 . . . . 159 MET CB . 11467 1 610 . 1 1 159 159 MET N N 15 108.475 0.064 . 1 . . . . 159 MET N . 11467 1 611 . 1 1 160 160 THR H H 1 6.849 0.003 . 1 . . . . 160 THR HN . 11467 1 612 . 1 1 160 160 THR C C 13 172.947 0 . 1 . . . . 160 THR CO . 11467 1 613 . 1 1 160 160 THR CA C 13 62.829 0.015 . 1 . . . . 160 THR CA . 11467 1 614 . 1 1 160 160 THR CB C 13 69.17 0 . 1 . . . . 160 THR CB . 11467 1 615 . 1 1 160 160 THR N N 15 118.339 0.075 . 1 . . . . 160 THR N . 11467 1 616 . 1 1 161 161 ALA H H 1 8.701 0.004 . 1 . . . . 161 ALA HN . 11467 1 617 . 1 1 161 161 ALA C C 13 176.11 0 . 1 . . . . 161 ALA CO . 11467 1 618 . 1 1 161 161 ALA CA C 13 51.984 0.038 . 1 . . . . 161 ALA CA . 11467 1 619 . 1 1 161 161 ALA CB C 13 18.83 0 . 1 . . . . 161 ALA CB . 11467 1 620 . 1 1 161 161 ALA N N 15 131.695 0.077 . 1 . . . . 161 ALA N . 11467 1 621 . 1 1 162 162 GLN H H 1 8.078 0.004 . 1 . . . . 162 GLN HN . 11467 1 622 . 1 1 162 162 GLN C C 13 174.13 0 . 1 . . . . 162 GLN CO . 11467 1 623 . 1 1 162 162 GLN CA C 13 53.903 0 . 1 . . . . 162 GLN CA . 11467 1 624 . 1 1 162 162 GLN CB C 13 28.235 0 . 1 . . . . 162 GLN CB . 11467 1 625 . 1 1 162 162 GLN N N 15 124.25 0.061 . 1 . . . . 162 GLN N . 11467 1 626 . 1 1 163 163 ALA H H 1 8.285 0.003 . 1 . . . . 163 ALA HN . 11467 1 627 . 1 1 163 163 ALA C C 13 176.017 0 . 1 . . . . 163 ALA CO . 11467 1 628 . 1 1 163 163 ALA CA C 13 52.082 0.032 . 1 . . . . 163 ALA CA . 11467 1 629 . 1 1 163 163 ALA CB C 13 17.076 0 . 1 . . . . 163 ALA CB . 11467 1 630 . 1 1 163 163 ALA N N 15 127.587 0.068 . 1 . . . . 163 ALA N . 11467 1 631 . 1 1 167 167 SER H H 1 8.122 0.004 . 1 . . . . 167 SER HN . 11467 1 632 . 1 1 167 167 SER C C 13 174.272 0 . 1 . . . . 167 SER CO . 11467 1 633 . 1 1 167 167 SER CA C 13 57.166 0.091 . 1 . . . . 167 SER CA . 11467 1 634 . 1 1 167 167 SER CB C 13 64.314 0 . 1 . . . . 167 SER CB . 11467 1 635 . 1 1 167 167 SER N N 15 112.511 0.076 . 1 . . . . 167 SER N . 11467 1 636 . 1 1 168 168 SER H H 1 8.528 0.004 . 1 . . . . 168 SER HN . 11467 1 637 . 1 1 168 168 SER CA C 13 63.431 0 . 1 . . . . 168 SER CA . 11467 1 638 . 1 1 168 168 SER N N 15 121.293 0.046 . 1 . . . . 168 SER N . 11467 1 639 . 1 1 169 169 HIS H H 1 7.071 0.004 . 1 . . . . 169 HIS HN . 11467 1 640 . 1 1 169 169 HIS C C 13 176.937 0 . 1 . . . . 169 HIS CO . 11467 1 641 . 1 1 169 169 HIS CA C 13 57.882 0.024 . 1 . . . . 169 HIS CA . 11467 1 642 . 1 1 169 169 HIS CB C 13 30.906 0 . 1 . . . . 169 HIS CB . 11467 1 643 . 1 1 169 169 HIS N N 15 116.163 0.099 . 1 . . . . 169 HIS N . 11467 1 644 . 1 1 170 170 ALA H H 1 8.227 0.003 . 1 . . . . 170 ALA HN . 11467 1 645 . 1 1 170 170 ALA C C 13 179.015 0 . 1 . . . . 170 ALA CO . 11467 1 646 . 1 1 170 170 ALA CA C 13 55.007 0 . 1 . . . . 170 ALA CA . 11467 1 647 . 1 1 170 170 ALA CB C 13 18.236 0 . 1 . . . . 170 ALA CB . 11467 1 648 . 1 1 170 170 ALA N N 15 123.248 0.059 . 1 . . . . 170 ALA N . 11467 1 649 . 1 1 171 171 VAL H H 1 7.216 0.006 . 1 . . . . 171 VAL HN . 11467 1 650 . 1 1 171 171 VAL C C 13 179.785 0 . 1 . . . . 171 VAL CO . 11467 1 651 . 1 1 171 171 VAL CA C 13 66.501 0.057 . 1 . . . . 171 VAL CA . 11467 1 652 . 1 1 171 171 VAL CB C 13 31.464 0 . 1 . . . . 171 VAL CB . 11467 1 653 . 1 1 171 171 VAL N N 15 114.798 0.044 . 1 . . . . 171 VAL N . 11467 1 654 . 1 1 172 172 ILE H H 1 7.673 0.003 . 1 . . . . 172 ILE HN . 11467 1 655 . 1 1 172 172 ILE C C 13 174.507 0 . 1 . . . . 172 ILE CO . 11467 1 656 . 1 1 172 172 ILE CA C 13 59.181 0 . 1 . . . . 172 ILE CA . 11467 1 657 . 1 1 172 172 ILE CB C 13 39.686 0 . 1 . . . . 172 ILE CB . 11467 1 658 . 1 1 172 172 ILE N N 15 118.876 0.07 . 1 . . . . 172 ILE N . 11467 1 659 . 1 1 173 173 THR H H 1 7.204 0.004 . 1 . . . . 173 THR HN . 11467 1 660 . 1 1 173 173 THR C C 13 175.009 0 . 1 . . . . 173 THR CO . 11467 1 661 . 1 1 173 173 THR CA C 13 61.675 0.079 . 1 . . . . 173 THR CA . 11467 1 662 . 1 1 173 173 THR CB C 13 69.53 0 . 1 . . . . 173 THR CB . 11467 1 663 . 1 1 173 173 THR N N 15 107.176 0.088 . 1 . . . . 173 THR N . 11467 1 664 . 1 1 174 174 GLY H H 1 7.433 0.004 . 1 . . . . 174 GLY HN . 11467 1 665 . 1 1 174 174 GLY C C 13 174.939 0 . 1 . . . . 174 GLY CO . 11467 1 666 . 1 1 174 174 GLY CA C 13 46.179 0 . 1 . . . . 174 GLY CA . 11467 1 667 . 1 1 174 174 GLY N N 15 107.961 0.087 . 1 . . . . 174 GLY N . 11467 1 668 . 1 1 175 175 LYS H H 1 7.977 0.005 . 1 . . . . 175 LYS HN . 11467 1 669 . 1 1 175 175 LYS C C 13 175.924 0 . 1 . . . . 175 LYS CO . 11467 1 670 . 1 1 175 175 LYS CA C 13 55.264 0.063 . 1 . . . . 175 LYS CA . 11467 1 671 . 1 1 175 175 LYS CB C 13 31.745 0 . 1 . . . . 175 LYS CB . 11467 1 672 . 1 1 175 175 LYS N N 15 118.684 0.068 . 1 . . . . 175 LYS N . 11467 1 673 . 1 1 176 176 TRP H H 1 7.687 0.004 . 1 . . . . 176 TRP HN . 11467 1 674 . 1 1 176 176 TRP C C 13 174.351 0 . 1 . . . . 176 TRP CO . 11467 1 675 . 1 1 176 176 TRP CA C 13 56.738 0 . 1 . . . . 176 TRP CA . 11467 1 676 . 1 1 176 176 TRP CB C 13 29.597 0 . 1 . . . . 176 TRP CB . 11467 1 677 . 1 1 176 176 TRP N N 15 121.03 0.05 . 1 . . . . 176 TRP N . 11467 1 678 . 1 1 177 177 SER H H 1 7.956 0.004 . 1 . . . . 177 SER HN . 11467 1 679 . 1 1 177 177 SER C C 13 170.449 0 . 1 . . . . 177 SER CO . 11467 1 680 . 1 1 177 177 SER CA C 13 53.871 0.064 . 1 . . . . 177 SER CA . 11467 1 681 . 1 1 177 177 SER CB C 13 63.681 0 . 1 . . . . 177 SER CB . 11467 1 682 . 1 1 177 177 SER N N 15 125.36 0.066 . 1 . . . . 177 SER N . 11467 1 683 . 1 1 179 179 SER H H 1 9.895 0.003 . 1 . . . . 179 SER HN . 11467 1 684 . 1 1 179 179 SER C C 13 175.648 0 . 1 . . . . 179 SER CO . 11467 1 685 . 1 1 179 179 SER CA C 13 57.204 0.077 . 1 . . . . 179 SER CA . 11467 1 686 . 1 1 179 179 SER CB C 13 66.088 0 . 1 . . . . 179 SER CB . 11467 1 687 . 1 1 179 179 SER N N 15 121.761 0.097 . 1 . . . . 179 SER N . 11467 1 688 . 1 1 180 180 GLY H H 1 9.08 0.004 . 1 . . . . 180 GLY HN . 11467 1 689 . 1 1 180 180 GLY C C 13 176.906 0 . 1 . . . . 180 GLY CO . 11467 1 690 . 1 1 180 180 GLY CA C 13 47.649 0 . 1 . . . . 180 GLY CA . 11467 1 691 . 1 1 180 180 GLY N N 15 108.975 0.066 . 1 . . . . 180 GLY N . 11467 1 692 . 1 1 181 181 ALA H H 1 8.268 0.004 . 1 . . . . 181 ALA HN . 11467 1 693 . 1 1 181 181 ALA C C 13 180.913 0 . 1 . . . . 181 ALA CO . 11467 1 694 . 1 1 181 181 ALA CA C 13 54.65 0 . 1 . . . . 181 ALA CA . 11467 1 695 . 1 1 181 181 ALA CB C 13 18.005 0 . 1 . . . . 181 ALA CB . 11467 1 696 . 1 1 181 181 ALA N N 15 125.393 0.058 . 1 . . . . 181 ALA N . 11467 1 697 . 1 1 182 182 ASP H H 1 7.756 0.004 . 1 . . . . 182 ASP HN . 11467 1 698 . 1 1 182 182 ASP C C 13 177.952 0 . 1 . . . . 182 ASP CO . 11467 1 699 . 1 1 182 182 ASP CA C 13 58.196 0 . 1 . . . . 182 ASP CA . 11467 1 700 . 1 1 182 182 ASP CB C 13 41.406 0 . 1 . . . . 182 ASP CB . 11467 1 701 . 1 1 182 182 ASP N N 15 119.291 0.055 . 1 . . . . 182 ASP N . 11467 1 702 . 1 1 183 183 ARG H H 1 8.315 0.003 . 1 . . . . 183 ARG HN . 11467 1 703 . 1 1 183 183 ARG C C 13 180.821 0 . 1 . . . . 183 ARG CO . 11467 1 704 . 1 1 183 183 ARG CA C 13 59.393 0.05 . 1 . . . . 183 ARG CA . 11467 1 705 . 1 1 183 183 ARG CB C 13 29.549 0 . 1 . . . . 183 ARG CB . 11467 1 706 . 1 1 183 183 ARG N N 15 119.945 0.046 . 1 . . . . 183 ARG N . 11467 1 707 . 1 1 184 184 ALA H H 1 7.979 0.003 . 1 . . . . 184 ALA HN . 11467 1 708 . 1 1 184 184 ALA C C 13 178.139 0 . 1 . . . . 184 ALA CO . 11467 1 709 . 1 1 184 184 ALA CA C 13 54.511 0.061 . 1 . . . . 184 ALA CA . 11467 1 710 . 1 1 184 184 ALA CB C 13 17.643 0 . 1 . . . . 184 ALA CB . 11467 1 711 . 1 1 184 184 ALA N N 15 123.048 0.063 . 1 . . . . 184 ALA N . 11467 1 712 . 1 1 185 185 ALA H H 1 7.267 0.005 . 1 . . . . 185 ALA HN . 11467 1 713 . 1 1 185 185 ALA C C 13 176.048 0 . 1 . . . . 185 ALA CO . 11467 1 714 . 1 1 185 185 ALA CA C 13 51.463 0.003 . 1 . . . . 185 ALA CA . 11467 1 715 . 1 1 185 185 ALA CB C 13 19.893 0 . 1 . . . . 185 ALA CB . 11467 1 716 . 1 1 185 185 ALA N N 15 118.141 0.053 . 1 . . . . 185 ALA N . 11467 1 717 . 1 1 186 186 GLY H H 1 7.611 0.003 . 1 . . . . 186 GLY HN . 11467 1 718 . 1 1 186 186 GLY C C 13 174.77 0 . 1 . . . . 186 GLY CO . 11467 1 719 . 1 1 186 186 GLY CA C 13 45.827 0 . 1 . . . . 186 GLY CA . 11467 1 720 . 1 1 186 186 GLY N N 15 105.83 0.09 . 1 . . . . 186 GLY N . 11467 1 721 . 1 1 187 187 ARG H H 1 8.098 0.006 . 1 . . . . 187 ARG HN . 11467 1 722 . 1 1 187 187 ARG C C 13 172.606 0 . 1 . . . . 187 ARG CO . 11467 1 723 . 1 1 187 187 ARG CA C 13 56.665 0.052 . 1 . . . . 187 ARG CA . 11467 1 724 . 1 1 187 187 ARG CB C 13 30.274 0 . 1 . . . . 187 ARG CB . 11467 1 725 . 1 1 187 187 ARG N N 15 119.642 0.079 . 1 . . . . 187 ARG N . 11467 1 726 . 1 1 188 188 ALA H H 1 6.986 0.003 . 1 . . . . 188 ALA HN . 11467 1 727 . 1 1 188 188 ALA C C 13 174.449 0 . 1 . . . . 188 ALA CO . 11467 1 728 . 1 1 188 188 ALA CA C 13 49.054 0.018 . 1 . . . . 188 ALA CA . 11467 1 729 . 1 1 188 188 ALA CB C 13 19.475 0 . 1 . . . . 188 ALA CB . 11467 1 730 . 1 1 188 188 ALA N N 15 126.316 0.087 . 1 . . . . 188 ALA N . 11467 1 731 . 1 1 196 196 ASN H H 1 7.608 0.005 . 1 . . . . 196 ASN HN . 11467 1 732 . 1 1 196 196 ASN C C 13 177.972 0 . 1 . . . . 196 ASN CO . 11467 1 733 . 1 1 196 196 ASN CA C 13 54.673 0 . 1 . . . . 196 ASN CA . 11467 1 734 . 1 1 196 196 ASN CB C 13 39.285 0 . 1 . . . . 196 ASN CB . 11467 1 735 . 1 1 196 196 ASN N N 15 120.318 0.089 . 1 . . . . 196 ASN N . 11467 1 736 . 1 1 197 197 ILE H H 1 8.781 0.003 . 1 . . . . 197 ILE HN . 11467 1 737 . 1 1 197 197 ILE C C 13 177.754 0 . 1 . . . . 197 ILE CO . 11467 1 738 . 1 1 197 197 ILE CA C 13 66.579 0.038 . 1 . . . . 197 ILE CA . 11467 1 739 . 1 1 197 197 ILE CB C 13 38.44 0 . 1 . . . . 197 ILE CB . 11467 1 740 . 1 1 197 197 ILE N N 15 122.874 0.061 . 1 . . . . 197 ILE N . 11467 1 741 . 1 1 198 198 ILE H H 1 8.007 0.004 . 1 . . . . 198 ILE HN . 11467 1 742 . 1 1 198 198 ILE C C 13 176.921 0 . 1 . . . . 198 ILE CO . 11467 1 743 . 1 1 198 198 ILE CA C 13 65.996 0 . 1 . . . . 198 ILE CA . 11467 1 744 . 1 1 198 198 ILE CB C 13 38.642 0 . 1 . . . . 198 ILE CB . 11467 1 745 . 1 1 198 198 ILE N N 15 118.943 0.062 . 1 . . . . 198 ILE N . 11467 1 746 . 1 1 199 199 ASN H H 1 8.649 0.004 . 1 . . . . 199 ASN HN . 11467 1 747 . 1 1 199 199 ASN C C 13 177.223 0 . 1 . . . . 199 ASN CO . 11467 1 748 . 1 1 199 199 ASN CA C 13 52.24 0 . 1 . . . . 199 ASN CA . 11467 1 749 . 1 1 199 199 ASN CB C 13 40.184 0 . 1 . . . . 199 ASN CB . 11467 1 750 . 1 1 199 199 ASN N N 15 115.751 0.087 . 1 . . . . 199 ASN N . 11467 1 751 . 1 1 200 200 GLY H H 1 8.786 0.005 . 1 . . . . 200 GLY HN . 11467 1 752 . 1 1 200 200 GLY C C 13 174.884 0 . 1 . . . . 200 GLY CO . 11467 1 753 . 1 1 200 200 GLY CA C 13 49.013 0.033 . 1 . . . . 200 GLY CA . 11467 1 754 . 1 1 200 200 GLY N N 15 110.787 0.068 . 1 . . . . 200 GLY N . 11467 1 755 . 1 1 201 201 GLY H H 1 8.68 0.005 . 1 . . . . 201 GLY HN . 11467 1 756 . 1 1 201 201 GLY C C 13 175.704 0 . 1 . . . . 201 GLY CO . 11467 1 757 . 1 1 201 201 GLY CA C 13 47.222 0.056 . 1 . . . . 201 GLY CA . 11467 1 758 . 1 1 201 201 GLY N N 15 107.054 0.085 . 1 . . . . 201 GLY N . 11467 1 759 . 1 1 202 202 LEU H H 1 7.223 0.004 . 1 . . . . 202 LEU HN . 11467 1 760 . 1 1 202 202 LEU C C 13 178.835 0 . 1 . . . . 202 LEU CO . 11467 1 761 . 1 1 202 202 LEU CA C 13 55.69 0 . 1 . . . . 202 LEU CA . 11467 1 762 . 1 1 202 202 LEU CB C 13 43.983 0 . 1 . . . . 202 LEU CB . 11467 1 763 . 1 1 202 202 LEU N N 15 117.837 0.061 . 1 . . . . 202 LEU N . 11467 1 764 . 1 1 203 203 GLU H H 1 7.686 0.003 . 1 . . . . 203 GLU HN . 11467 1 765 . 1 1 203 203 GLU C C 13 176.288 0 . 1 . . . . 203 GLU CO . 11467 1 766 . 1 1 203 203 GLU CA C 13 59.617 0.036 . 1 . . . . 203 GLU CA . 11467 1 767 . 1 1 203 203 GLU CB C 13 32.059 0 . 1 . . . . 203 GLU CB . 11467 1 768 . 1 1 203 203 GLU N N 15 116.165 0.072 . 1 . . . . 203 GLU N . 11467 1 769 . 1 1 204 204 CYS H H 1 8.283 0.005 . 1 . . . . 204 CYS HN . 11467 1 770 . 1 1 204 204 CYS C C 13 174.916 0 . 1 . . . . 204 CYS CO . 11467 1 771 . 1 1 204 204 CYS CA C 13 52.735 0.04 . 1 . . . . 204 CYS CA . 11467 1 772 . 1 1 204 204 CYS CB C 13 37.828 0 . 1 . . . . 204 CYS CB . 11467 1 773 . 1 1 204 204 CYS N N 15 112.955 0.074 . 1 . . . . 204 CYS N . 11467 1 774 . 1 1 205 205 GLY H H 1 8.048 0.005 . 1 . . . . 205 GLY HN . 11467 1 775 . 1 1 205 205 GLY C C 13 175.65 0 . 1 . . . . 205 GLY CO . 11467 1 776 . 1 1 205 205 GLY CA C 13 47.884 0 . 1 . . . . 205 GLY CA . 11467 1 777 . 1 1 205 205 GLY N N 15 108.905 0.096 . 1 . . . . 205 GLY N . 11467 1 778 . 1 1 206 206 HIS H H 1 9.174 0.004 . 1 . . . . 206 HIS HN . 11467 1 779 . 1 1 206 206 HIS C C 13 174.578 0 . 1 . . . . 206 HIS CO . 11467 1 780 . 1 1 206 206 HIS CA C 13 53.84 0.021 . 1 . . . . 206 HIS CA . 11467 1 781 . 1 1 206 206 HIS CB C 13 28.592 0 . 1 . . . . 206 HIS CB . 11467 1 782 . 1 1 206 206 HIS N N 15 116.959 0.05 . 1 . . . . 206 HIS N . 11467 1 783 . 1 1 207 207 GLY H H 1 8.371 0.004 . 1 . . . . 207 GLY HN . 11467 1 784 . 1 1 207 207 GLY C C 13 172.603 0 . 1 . . . . 207 GLY CO . 11467 1 785 . 1 1 207 207 GLY CA C 13 43.926 0.025 . 1 . . . . 207 GLY CA . 11467 1 786 . 1 1 207 207 GLY N N 15 109.431 0.088 . 1 . . . . 207 GLY N . 11467 1 787 . 1 1 208 208 GLN H H 1 8.049 0.004 . 1 . . . . 208 GLN HN . 11467 1 788 . 1 1 208 208 GLN C C 13 174.823 0 . 1 . . . . 208 GLN CO . 11467 1 789 . 1 1 208 208 GLN CA C 13 57.517 0 . 1 . . . . 208 GLN CA . 11467 1 790 . 1 1 208 208 GLN N N 15 118.203 0.092 . 1 . . . . 208 GLN N . 11467 1 791 . 1 1 209 209 ASP H H 1 6.789 0.004 . 1 . . . . 209 ASP HN . 11467 1 792 . 1 1 209 209 ASP C C 13 176.196 0 . 1 . . . . 209 ASP CO . 11467 1 793 . 1 1 209 209 ASP CA C 13 54.005 0.011 . 1 . . . . 209 ASP CA . 11467 1 794 . 1 1 209 209 ASP CB C 13 45.99 0 . 1 . . . . 209 ASP CB . 11467 1 795 . 1 1 209 209 ASP N N 15 122.058 0.079 . 1 . . . . 209 ASP N . 11467 1 796 . 1 1 210 210 SER H H 1 9.399 0.002 . 1 . . . . 210 SER HN . 11467 1 797 . 1 1 210 210 SER CA C 13 61.469 0.089 . 1 . . . . 210 SER CA . 11467 1 798 . 1 1 210 210 SER CB C 13 62.678 0 . 1 . . . . 210 SER CB . 11467 1 799 . 1 1 210 210 SER N N 15 124.639 0.055 . 1 . . . . 210 SER N . 11467 1 800 . 1 1 211 211 ARG H H 1 8.87 0.005 . 1 . . . . 211 ARG HN . 11467 1 801 . 1 1 211 211 ARG C C 13 177.725 0 . 1 . . . . 211 ARG CO . 11467 1 802 . 1 1 211 211 ARG CA C 13 59.36 0 . 1 . . . . 211 ARG CA . 11467 1 803 . 1 1 211 211 ARG CB C 13 29.286 0 . 1 . . . . 211 ARG CB . 11467 1 804 . 1 1 211 211 ARG N N 15 125.592 0.065 . 1 . . . . 211 ARG N . 11467 1 805 . 1 1 212 212 VAL H H 1 7.101 0.005 . 1 . . . . 212 VAL HN . 11467 1 806 . 1 1 212 212 VAL C C 13 178.632 0 . 1 . . . . 212 VAL CO . 11467 1 807 . 1 1 212 212 VAL CA C 13 65.987 0 . 1 . . . . 212 VAL CA . 11467 1 808 . 1 1 212 212 VAL CB C 13 32.089 0 . 1 . . . . 212 VAL CB . 11467 1 809 . 1 1 212 212 VAL N N 15 119.776 0.065 . 1 . . . . 212 VAL N . 11467 1 810 . 1 1 213 213 ALA H H 1 8.008 0.003 . 1 . . . . 213 ALA HN . 11467 1 811 . 1 1 213 213 ALA C C 13 180.032 0 . 1 . . . . 213 ALA CO . 11467 1 812 . 1 1 213 213 ALA CA C 13 55.129 0 . 1 . . . . 213 ALA CA . 11467 1 813 . 1 1 213 213 ALA CB C 13 17.911 0 . 1 . . . . 213 ALA CB . 11467 1 814 . 1 1 213 213 ALA N N 15 120.162 0.088 . 1 . . . . 213 ALA N . 11467 1 815 . 1 1 214 214 ASP H H 1 7.925 0.003 . 1 . . . . 214 ASP HN . 11467 1 816 . 1 1 214 214 ASP C C 13 176.584 0 . 1 . . . . 214 ASP CO . 11467 1 817 . 1 1 214 214 ASP CA C 13 57.707 0.07 . 1 . . . . 214 ASP CA . 11467 1 818 . 1 1 214 214 ASP CB C 13 42.33 0 . 1 . . . . 214 ASP CB . 11467 1 819 . 1 1 214 214 ASP N N 15 121.331 0.076 . 1 . . . . 214 ASP N . 11467 1 820 . 1 1 215 215 ARG H H 1 7.391 0.005 . 1 . . . . 215 ARG HN . 11467 1 821 . 1 1 215 215 ARG C C 13 178.37 0 . 1 . . . . 215 ARG CO . 11467 1 822 . 1 1 215 215 ARG CA C 13 60.918 0.018 . 1 . . . . 215 ARG CA . 11467 1 823 . 1 1 215 215 ARG CB C 13 30.182 0 . 1 . . . . 215 ARG CB . 11467 1 824 . 1 1 215 215 ARG N N 15 116.233 0.089 . 1 . . . . 215 ARG N . 11467 1 825 . 1 1 216 216 ILE H H 1 7.825 0.002 . 1 . . . . 216 ILE HN . 11467 1 826 . 1 1 216 216 ILE CA C 13 65.633 0.019 . 1 . . . . 216 ILE CA . 11467 1 827 . 1 1 216 216 ILE N N 15 115.951 0.093 . 1 . . . . 216 ILE N . 11467 1 828 . 1 1 217 217 GLY H H 1 7.888 0.003 . 1 . . . . 217 GLY HN . 11467 1 829 . 1 1 217 217 GLY C C 13 177.617 0 . 1 . . . . 217 GLY CO . 11467 1 830 . 1 1 217 217 GLY CA C 13 45.63 0.016 . 1 . . . . 217 GLY CA . 11467 1 831 . 1 1 217 217 GLY N N 15 108.743 0.081 . 1 . . . . 217 GLY N . 11467 1 832 . 1 1 218 218 PHE H H 1 7.221 0.004 . 1 . . . . 218 PHE HN . 11467 1 833 . 1 1 218 218 PHE C C 13 175.369 0 . 1 . . . . 218 PHE CO . 11467 1 834 . 1 1 218 218 PHE CA C 13 62.553 0 . 1 . . . . 218 PHE CA . 11467 1 835 . 1 1 218 218 PHE CB C 13 40.384 0 . 1 . . . . 218 PHE CB . 11467 1 836 . 1 1 218 218 PHE N N 15 118.638 0.044 . 1 . . . . 218 PHE N . 11467 1 837 . 1 1 219 219 TYR H H 1 7.46 0.004 . 1 . . . . 219 TYR HN . 11467 1 838 . 1 1 219 219 TYR C C 13 177.1 0 . 1 . . . . 219 TYR CO . 11467 1 839 . 1 1 219 219 TYR CA C 13 61.156 0 . 1 . . . . 219 TYR CA . 11467 1 840 . 1 1 219 219 TYR CB C 13 38.67 0 . 1 . . . . 219 TYR CB . 11467 1 841 . 1 1 219 219 TYR N N 15 118.889 0.081 . 1 . . . . 219 TYR N . 11467 1 842 . 1 1 220 220 LYS H H 1 8.677 0.003 . 1 . . . . 220 LYS HN . 11467 1 843 . 1 1 220 220 LYS C C 13 177.574 0 . 1 . . . . 220 LYS CO . 11467 1 844 . 1 1 220 220 LYS CA C 13 59.81 0.028 . 1 . . . . 220 LYS CA . 11467 1 845 . 1 1 220 220 LYS CB C 13 32.265 0 . 1 . . . . 220 LYS CB . 11467 1 846 . 1 1 220 220 LYS N N 15 117.925 0.065 . 1 . . . . 220 LYS N . 11467 1 847 . 1 1 221 221 ARG H H 1 6.938 0.003 . 1 . . . . 221 ARG HN . 11467 1 848 . 1 1 221 221 ARG C C 13 178.565 0 . 1 . . . . 221 ARG CO . 11467 1 849 . 1 1 221 221 ARG CA C 13 59.741 0.029 . 1 . . . . 221 ARG CA . 11467 1 850 . 1 1 221 221 ARG CB C 13 28.74 0 . 1 . . . . 221 ARG CB . 11467 1 851 . 1 1 221 221 ARG N N 15 117.394 0.082 . 1 . . . . 221 ARG N . 11467 1 852 . 1 1 222 222 TYR H H 1 8.597 0.004 . 1 . . . . 222 TYR HN . 11467 1 853 . 1 1 222 222 TYR C C 13 178.649 0 . 1 . . . . 222 TYR CO . 11467 1 854 . 1 1 222 222 TYR CA C 13 57.504 0 . 1 . . . . 222 TYR CA . 11467 1 855 . 1 1 222 222 TYR CB C 13 35.838 0 . 1 . . . . 222 TYR CB . 11467 1 856 . 1 1 222 222 TYR N N 15 118.384 0.072 . 1 . . . . 222 TYR N . 11467 1 857 . 1 1 223 223 CYS H H 1 8.785 0.004 . 1 . . . . 223 CYS HN . 11467 1 858 . 1 1 223 223 CYS C C 13 177.612 0 . 1 . . . . 223 CYS CO . 11467 1 859 . 1 1 223 223 CYS CA C 13 65.4 0.062 . 1 . . . . 223 CYS CA . 11467 1 860 . 1 1 223 223 CYS CB C 13 26.311 0 . 1 . . . . 223 CYS CB . 11467 1 861 . 1 1 223 223 CYS N N 15 120.214 0.074 . 1 . . . . 223 CYS N . 11467 1 862 . 1 1 224 224 ASP H H 1 8.516 0.002 . 1 . . . . 224 ASP HN . 11467 1 863 . 1 1 224 224 ASP C C 13 179.57 0 . 1 . . . . 224 ASP CO . 11467 1 864 . 1 1 224 224 ASP CA C 13 57.32 0 . 1 . . . . 224 ASP CA . 11467 1 865 . 1 1 224 224 ASP CB C 13 38.982 0 . 1 . . . . 224 ASP CB . 11467 1 866 . 1 1 224 224 ASP N N 15 120.839 0.087 . 1 . . . . 224 ASP N . 11467 1 867 . 1 1 225 225 ILE H H 1 7.832 0.003 . 1 . . . . 225 ILE HN . 11467 1 868 . 1 1 225 225 ILE C C 13 177.389 0 . 1 . . . . 225 ILE CO . 11467 1 869 . 1 1 225 225 ILE CA C 13 65.612 0 . 1 . . . . 225 ILE CA . 11467 1 870 . 1 1 225 225 ILE CB C 13 38.498 0 . 1 . . . . 225 ILE CB . 11467 1 871 . 1 1 225 225 ILE N N 15 121.664 0.075 . 1 . . . . 225 ILE N . 11467 1 872 . 1 1 226 226 LEU H H 1 7.834 0.005 . 1 . . . . 226 LEU HN . 11467 1 873 . 1 1 226 226 LEU C C 13 176.946 0 . 1 . . . . 226 LEU CO . 11467 1 874 . 1 1 226 226 LEU CA C 13 55.525 0.007 . 1 . . . . 226 LEU CA . 11467 1 875 . 1 1 226 226 LEU CB C 13 42.16 0 . 1 . . . . 226 LEU CB . 11467 1 876 . 1 1 226 226 LEU N N 15 116.636 0.077 . 1 . . . . 226 LEU N . 11467 1 877 . 1 1 227 227 GLY H H 1 8.15 0.004 . 1 . . . . 227 GLY HN . 11467 1 878 . 1 1 227 227 GLY C C 13 173.266 0 . 1 . . . . 227 GLY CO . 11467 1 879 . 1 1 227 227 GLY CA C 13 46.762 0.027 . 1 . . . . 227 GLY CA . 11467 1 880 . 1 1 227 227 GLY N N 15 110.926 0.071 . 1 . . . . 227 GLY N . 11467 1 881 . 1 1 228 228 VAL H H 1 8.023 0.005 . 1 . . . . 228 VAL HN . 11467 1 882 . 1 1 228 228 VAL C C 13 172.871 0 . 1 . . . . 228 VAL CO . 11467 1 883 . 1 1 228 228 VAL CA C 13 58.956 0 . 1 . . . . 228 VAL CA . 11467 1 884 . 1 1 228 228 VAL CB C 13 36.254 0 . 1 . . . . 228 VAL CB . 11467 1 885 . 1 1 228 228 VAL N N 15 120.666 0.046 . 1 . . . . 228 VAL N . 11467 1 886 . 1 1 229 229 GLY H H 1 8.206 0.004 . 1 . . . . 229 GLY HN . 11467 1 887 . 1 1 229 229 GLY C C 13 174.71 0 . 1 . . . . 229 GLY CO . 11467 1 888 . 1 1 229 229 GLY CA C 13 44.5 0.006 . 1 . . . . 229 GLY CA . 11467 1 889 . 1 1 229 229 GLY N N 15 113.379 0.076 . 1 . . . . 229 GLY N . 11467 1 890 . 1 1 230 230 TYR H H 1 7.286 0.004 . 1 . . . . 230 TYR HN . 11467 1 891 . 1 1 230 230 TYR C C 13 179.955 0 . 1 . . . . 230 TYR CO . 11467 1 892 . 1 1 230 230 TYR CA C 13 57.02 0.035 . 1 . . . . 230 TYR CA . 11467 1 893 . 1 1 230 230 TYR CB C 13 38.853 0 . 1 . . . . 230 TYR CB . 11467 1 894 . 1 1 230 230 TYR N N 15 118.767 0.045 . 1 . . . . 230 TYR N . 11467 1 895 . 1 1 231 231 GLY H H 1 8.639 0.004 . 1 . . . . 231 GLY HN . 11467 1 896 . 1 1 231 231 GLY C C 13 171.699 0 . 1 . . . . 231 GLY CO . 11467 1 897 . 1 1 231 231 GLY CA C 13 43.392 0.004 . 1 . . . . 231 GLY CA . 11467 1 898 . 1 1 231 231 GLY N N 15 107.987 0.077 . 1 . . . . 231 GLY N . 11467 1 899 . 1 1 232 232 ASP H H 1 8.257 0.004 . 1 . . . . 232 ASP HN . 11467 1 900 . 1 1 232 232 ASP C C 13 176.826 0 . 1 . . . . 232 ASP CO . 11467 1 901 . 1 1 232 232 ASP CA C 13 53.166 0.045 . 1 . . . . 232 ASP CA . 11467 1 902 . 1 1 232 232 ASP CB C 13 43.997 0 . 1 . . . . 232 ASP CB . 11467 1 903 . 1 1 232 232 ASP N N 15 116.999 0.049 . 1 . . . . 232 ASP N . 11467 1 904 . 1 1 233 233 ASN H H 1 9.089 0.004 . 1 . . . . 233 ASN HN . 11467 1 905 . 1 1 233 233 ASN C C 13 176.872 0 . 1 . . . . 233 ASN CO . 11467 1 906 . 1 1 233 233 ASN CA C 13 54.009 0 . 1 . . . . 233 ASN CA . 11467 1 907 . 1 1 233 233 ASN CB C 13 36.852 0 . 1 . . . . 233 ASN CB . 11467 1 908 . 1 1 233 233 ASN N N 15 114.854 0.069 . 1 . . . . 233 ASN N . 11467 1 909 . 1 1 234 234 LEU H H 1 9.023 0.003 . 1 . . . . 234 LEU HN . 11467 1 910 . 1 1 234 234 LEU C C 13 175.296 0 . 1 . . . . 234 LEU CO . 11467 1 911 . 1 1 234 234 LEU CA C 13 57.952 0.007 . 1 . . . . 234 LEU CA . 11467 1 912 . 1 1 234 234 LEU CB C 13 42.12 0 . 1 . . . . 234 LEU CB . 11467 1 913 . 1 1 234 234 LEU N N 15 117.392 0.077 . 1 . . . . 234 LEU N . 11467 1 914 . 1 1 235 235 ASP H H 1 7.387 0.004 . 1 . . . . 235 ASP HN . 11467 1 915 . 1 1 235 235 ASP C C 13 173.19 0 . 1 . . . . 235 ASP CO . 11467 1 916 . 1 1 235 235 ASP CA C 13 51.614 0.005 . 1 . . . . 235 ASP CA . 11467 1 917 . 1 1 235 235 ASP CB C 13 44.079 0 . 1 . . . . 235 ASP CB . 11467 1 918 . 1 1 235 235 ASP N N 15 111.429 0.074 . 1 . . . . 235 ASP N . 11467 1 stop_ save_