data_17660 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17660 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for LmrA-NBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-23 _Entry.Accession_date 2011-05-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Jens Woehnert . . . 17660 2 Ute Hellmich . . . 17660 3 Elke Duchardt-Ferner . . . 17660 4 Clemens Glaubitz . . . 17660 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17660 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 724 17660 '15N chemical shifts' 247 17660 '1H chemical shifts' 247 17660 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-20 2011-05-23 update BMRB 'update entry citation' 17660 1 . . 2012-07-11 2011-05-23 original author 'original release' 17660 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17660 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21786024 _Citation.Full_citation . _Citation.Title 'Backbone NMR resonance assignments of the nucleotide binding domain of the ABC multidrug transporter LmrA from Lactococcus lactis in its ADP-bound state.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 69 _Citation.Page_last 73 _Citation.Year 2012 _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 Ute Hellmich . A. . 17660 1 2 Elke Duchardt-Ferner . . . 17660 1 3 Clemens Glaubitz . . . 17660 1 4 Jens Wohnert . . . 17660 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17660 _Assembly.ID 1 _Assembly.Name 'LmrA-NBD ADP complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 29306.401 _Assembly.Enzyme_commission_number . _Assembly.Details 'LmrA nucleotide binding domain in complex with adenosine 5'-phosphate' _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 'nucleotide binding domain' 1 $LmrA-NBD A . yes native no yes . 'catalytic unit' 'The bound ADP is in fast exchange with the free form' 17660 1 2 'adenosine 5'-phosphate' 2 $ADP B . no native no yes . . . 17660 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LmrA-NBD _Entity.Sf_category entity _Entity.Sf_framecode LmrA-NBD _Entity.Entry_ID 17660 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LmrA-NBD _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 ; GSDEEQEVLHQGDSLDLEGK TLSAHHVDFAYDDSEQILHD ISFEAQPNSIIAFAGPSGGG KSTIFSLLERFYQPTAGEIT IGGQPIDSVSLENWRSQIGF VSQDSAIMAGTIRENLTYGL EGNFTDEDLWQVLDLAFARS FVENMPDQLNTEVGERGVKI SGGQRQRLAIARAFLRNPKI LMLDEATASLDSESESMVQR ALDSLMKGRTTLVIAHRLST IVDADKIYFIEKGEITGSGK HNELVATHPLYAKYVSEQLT VGQ ; _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 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment LmrA-NBD _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28879.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no EMBL CAL98427 . "multidrug resistance ABC transporter ATP-binding and permease protein [Lactococcus lactis subsp. cremoris MG1363]" . . . . . 99.24 590 100.00 100.00 0.00e+00 . . . . 17660 1 2 no GB AAB49750 . "multidrug resistance protein LmrA [Lactococcus lactis subsp. cremoris MG1363]" . . . . . 99.24 590 100.00 100.00 0.00e+00 . . . . 17660 1 3 no GB ABF67597 . "multidrug transporter, partial [Lactococcus lactis subsp. cremoris]" . . . . . 98.48 587 100.00 100.00 0.00e+00 . . . . 17660 1 4 no GB ADJ60835 . "multidrug resistance ABC transporter ATP-binding and permease protein [Lactococcus lactis subsp. cremoris NZ9000]" . . . . . 99.24 590 100.00 100.00 0.00e+00 . . . . 17660 1 5 no GB AEU41048 . "Lipid A export ATP-binding/permease protein MsbA [Lactococcus lactis subsp. cremoris A76]" . . . . . 99.24 334 98.85 99.23 0.00e+00 . . . . 17660 1 6 no GB AGV72614 . "ABC transporter ATP-binding/permease protein [Lactococcus lactis subsp. cremoris KW2]" . . . . . 99.24 590 99.62 100.00 0.00e+00 . . . . 17660 1 7 no REF WP_041168686 . "multidrug ABC transporter permease [Lactococcus lactis]" . . . . . 99.24 584 99.62 100.00 0.00e+00 . . . . 17660 1 8 no REF WP_041931331 . "multidrug ABC transporter permease [Lactococcus lactis]" . . . . . 99.24 584 100.00 100.00 0.00e+00 . . . . 17660 1 9 no REF WP_042748901 . "multidrug ABC transporter permease [Lactococcus lactis]" . . . . . 99.24 584 99.62 100.00 0.00e+00 . . . . 17660 1 10 no REF WP_043736657 . "multidrug ABC transporter permease [Lactococcus lactis]" . . . . . 99.24 584 99.62 99.62 0.00e+00 . . . . 17660 1 11 no REF WP_046125038 . "multidrug ABC transporter permease [Lactococcus lactis]" . . . . . 99.24 584 99.62 99.62 0.00e+00 . . . . 17660 1 12 no SP P97046 . "RecName: Full=Multidrug resistance ABC transporter ATP-binding and permease protein" . . . . . 99.24 590 100.00 100.00 0.00e+00 . . . . 17660 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ATPase 17660 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 . GLY . 17660 1 2 . SER . 17660 1 3 . ASP . 17660 1 4 . GLU . 17660 1 5 . GLU . 17660 1 6 . GLN . 17660 1 7 . GLU . 17660 1 8 . VAL . 17660 1 9 . LEU . 17660 1 10 . HIS . 17660 1 11 . GLN . 17660 1 12 . GLY . 17660 1 13 . ASP . 17660 1 14 . SER . 17660 1 15 . LEU . 17660 1 16 . ASP . 17660 1 17 . LEU . 17660 1 18 . GLU . 17660 1 19 . GLY . 17660 1 20 . LYS . 17660 1 21 . THR . 17660 1 22 . LEU . 17660 1 23 . SER . 17660 1 24 . ALA . 17660 1 25 . HIS . 17660 1 26 . HIS . 17660 1 27 . VAL . 17660 1 28 . ASP . 17660 1 29 . PHE . 17660 1 30 . ALA . 17660 1 31 . TYR . 17660 1 32 . ASP . 17660 1 33 . ASP . 17660 1 34 . SER . 17660 1 35 . GLU . 17660 1 36 . GLN . 17660 1 37 . ILE . 17660 1 38 . LEU . 17660 1 39 . HIS . 17660 1 40 . ASP . 17660 1 41 . ILE . 17660 1 42 . SER . 17660 1 43 . PHE . 17660 1 44 . GLU . 17660 1 45 . ALA . 17660 1 46 . GLN . 17660 1 47 . PRO . 17660 1 48 . ASN . 17660 1 49 . SER . 17660 1 50 . ILE . 17660 1 51 . ILE . 17660 1 52 . ALA . 17660 1 53 . PHE . 17660 1 54 . ALA . 17660 1 55 . GLY . 17660 1 56 . PRO . 17660 1 57 . SER . 17660 1 58 . GLY . 17660 1 59 . GLY . 17660 1 60 . GLY . 17660 1 61 . LYS . 17660 1 62 . SER . 17660 1 63 . THR . 17660 1 64 . ILE . 17660 1 65 . PHE . 17660 1 66 . SER . 17660 1 67 . LEU . 17660 1 68 . LEU . 17660 1 69 . GLU . 17660 1 70 . ARG . 17660 1 71 . PHE . 17660 1 72 . TYR . 17660 1 73 . GLN . 17660 1 74 . PRO . 17660 1 75 . THR . 17660 1 76 . ALA . 17660 1 77 . GLY . 17660 1 78 . GLU . 17660 1 79 . ILE . 17660 1 80 . THR . 17660 1 81 . ILE . 17660 1 82 . GLY . 17660 1 83 . GLY . 17660 1 84 . GLN . 17660 1 85 . PRO . 17660 1 86 . ILE . 17660 1 87 . ASP . 17660 1 88 . SER . 17660 1 89 . VAL . 17660 1 90 . SER . 17660 1 91 . LEU . 17660 1 92 . GLU . 17660 1 93 . ASN . 17660 1 94 . TRP . 17660 1 95 . ARG . 17660 1 96 . SER . 17660 1 97 . GLN . 17660 1 98 . ILE . 17660 1 99 . GLY . 17660 1 100 . PHE . 17660 1 101 . VAL . 17660 1 102 . SER . 17660 1 103 . GLN . 17660 1 104 . ASP . 17660 1 105 . SER . 17660 1 106 . ALA . 17660 1 107 . ILE . 17660 1 108 . MET . 17660 1 109 . ALA . 17660 1 110 . GLY . 17660 1 111 . THR . 17660 1 112 . ILE . 17660 1 113 . ARG . 17660 1 114 . GLU . 17660 1 115 . ASN . 17660 1 116 . LEU . 17660 1 117 . THR . 17660 1 118 . TYR . 17660 1 119 . GLY . 17660 1 120 . LEU . 17660 1 121 . GLU . 17660 1 122 . GLY . 17660 1 123 . ASN . 17660 1 124 . PHE . 17660 1 125 . THR . 17660 1 126 . ASP . 17660 1 127 . GLU . 17660 1 128 . ASP . 17660 1 129 . LEU . 17660 1 130 . TRP . 17660 1 131 . GLN . 17660 1 132 . VAL . 17660 1 133 . LEU . 17660 1 134 . ASP . 17660 1 135 . LEU . 17660 1 136 . ALA . 17660 1 137 . PHE . 17660 1 138 . ALA . 17660 1 139 . ARG . 17660 1 140 . SER . 17660 1 141 . PHE . 17660 1 142 . VAL . 17660 1 143 . GLU . 17660 1 144 . ASN . 17660 1 145 . MET . 17660 1 146 . PRO . 17660 1 147 . ASP . 17660 1 148 . GLN . 17660 1 149 . LEU . 17660 1 150 . ASN . 17660 1 151 . THR . 17660 1 152 . GLU . 17660 1 153 . VAL . 17660 1 154 . GLY . 17660 1 155 . GLU . 17660 1 156 . ARG . 17660 1 157 . GLY . 17660 1 158 . VAL . 17660 1 159 . LYS . 17660 1 160 . ILE . 17660 1 161 . SER . 17660 1 162 . GLY . 17660 1 163 . GLY . 17660 1 164 . GLN . 17660 1 165 . ARG . 17660 1 166 . GLN . 17660 1 167 . ARG . 17660 1 168 . LEU . 17660 1 169 . ALA . 17660 1 170 . ILE . 17660 1 171 . ALA . 17660 1 172 . ARG . 17660 1 173 . ALA . 17660 1 174 . PHE . 17660 1 175 . LEU . 17660 1 176 . ARG . 17660 1 177 . ASN . 17660 1 178 . PRO . 17660 1 179 . LYS . 17660 1 180 . ILE . 17660 1 181 . LEU . 17660 1 182 . MET . 17660 1 183 . LEU . 17660 1 184 . ASP . 17660 1 185 . GLU . 17660 1 186 . ALA . 17660 1 187 . THR . 17660 1 188 . ALA . 17660 1 189 . SER . 17660 1 190 . LEU . 17660 1 191 . ASP . 17660 1 192 . SER . 17660 1 193 . GLU . 17660 1 194 . SER . 17660 1 195 . GLU . 17660 1 196 . SER . 17660 1 197 . MET . 17660 1 198 . VAL . 17660 1 199 . GLN . 17660 1 200 . ARG . 17660 1 201 . ALA . 17660 1 202 . LEU . 17660 1 203 . ASP . 17660 1 204 . SER . 17660 1 205 . LEU . 17660 1 206 . MET . 17660 1 207 . LYS . 17660 1 208 . GLY . 17660 1 209 . ARG . 17660 1 210 . THR . 17660 1 211 . THR . 17660 1 212 . LEU . 17660 1 213 . VAL . 17660 1 214 . ILE . 17660 1 215 . ALA . 17660 1 216 . HIS . 17660 1 217 . ARG . 17660 1 218 . LEU . 17660 1 219 . SER . 17660 1 220 . THR . 17660 1 221 . ILE . 17660 1 222 . VAL . 17660 1 223 . ASP . 17660 1 224 . ALA . 17660 1 225 . ASP . 17660 1 226 . LYS . 17660 1 227 . ILE . 17660 1 228 . TYR . 17660 1 229 . PHE . 17660 1 230 . ILE . 17660 1 231 . GLU . 17660 1 232 . LYS . 17660 1 233 . GLY . 17660 1 234 . GLU . 17660 1 235 . ILE . 17660 1 236 . THR . 17660 1 237 . GLY . 17660 1 238 . SER . 17660 1 239 . GLY . 17660 1 240 . LYS . 17660 1 241 . HIS . 17660 1 242 . ASN . 17660 1 243 . GLU . 17660 1 244 . LEU . 17660 1 245 . VAL . 17660 1 246 . ALA . 17660 1 247 . THR . 17660 1 248 . HIS . 17660 1 249 . PRO . 17660 1 250 . LEU . 17660 1 251 . TYR . 17660 1 252 . ALA . 17660 1 253 . LYS . 17660 1 254 . TYR . 17660 1 255 . VAL . 17660 1 256 . SER . 17660 1 257 . GLU . 17660 1 258 . GLN . 17660 1 259 . LEU . 17660 1 260 . THR . 17660 1 261 . VAL . 17660 1 262 . GLY . 17660 1 263 . GLN . 17660 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17660 1 . SER 2 2 17660 1 . ASP 3 3 17660 1 . GLU 4 4 17660 1 . GLU 5 5 17660 1 . GLN 6 6 17660 1 . GLU 7 7 17660 1 . VAL 8 8 17660 1 . LEU 9 9 17660 1 . HIS 10 10 17660 1 . GLN 11 11 17660 1 . GLY 12 12 17660 1 . ASP 13 13 17660 1 . SER 14 14 17660 1 . LEU 15 15 17660 1 . ASP 16 16 17660 1 . LEU 17 17 17660 1 . GLU 18 18 17660 1 . GLY 19 19 17660 1 . LYS 20 20 17660 1 . THR 21 21 17660 1 . LEU 22 22 17660 1 . SER 23 23 17660 1 . ALA 24 24 17660 1 . HIS 25 25 17660 1 . HIS 26 26 17660 1 . VAL 27 27 17660 1 . ASP 28 28 17660 1 . PHE 29 29 17660 1 . ALA 30 30 17660 1 . TYR 31 31 17660 1 . ASP 32 32 17660 1 . ASP 33 33 17660 1 . SER 34 34 17660 1 . GLU 35 35 17660 1 . GLN 36 36 17660 1 . ILE 37 37 17660 1 . LEU 38 38 17660 1 . HIS 39 39 17660 1 . ASP 40 40 17660 1 . ILE 41 41 17660 1 . SER 42 42 17660 1 . PHE 43 43 17660 1 . GLU 44 44 17660 1 . ALA 45 45 17660 1 . GLN 46 46 17660 1 . PRO 47 47 17660 1 . ASN 48 48 17660 1 . SER 49 49 17660 1 . ILE 50 50 17660 1 . ILE 51 51 17660 1 . ALA 52 52 17660 1 . PHE 53 53 17660 1 . ALA 54 54 17660 1 . GLY 55 55 17660 1 . PRO 56 56 17660 1 . SER 57 57 17660 1 . GLY 58 58 17660 1 . GLY 59 59 17660 1 . GLY 60 60 17660 1 . LYS 61 61 17660 1 . SER 62 62 17660 1 . THR 63 63 17660 1 . ILE 64 64 17660 1 . PHE 65 65 17660 1 . SER 66 66 17660 1 . LEU 67 67 17660 1 . LEU 68 68 17660 1 . GLU 69 69 17660 1 . ARG 70 70 17660 1 . PHE 71 71 17660 1 . TYR 72 72 17660 1 . GLN 73 73 17660 1 . PRO 74 74 17660 1 . THR 75 75 17660 1 . ALA 76 76 17660 1 . GLY 77 77 17660 1 . GLU 78 78 17660 1 . ILE 79 79 17660 1 . THR 80 80 17660 1 . ILE 81 81 17660 1 . GLY 82 82 17660 1 . GLY 83 83 17660 1 . GLN 84 84 17660 1 . PRO 85 85 17660 1 . ILE 86 86 17660 1 . ASP 87 87 17660 1 . SER 88 88 17660 1 . VAL 89 89 17660 1 . SER 90 90 17660 1 . LEU 91 91 17660 1 . GLU 92 92 17660 1 . ASN 93 93 17660 1 . TRP 94 94 17660 1 . ARG 95 95 17660 1 . SER 96 96 17660 1 . GLN 97 97 17660 1 . ILE 98 98 17660 1 . GLY 99 99 17660 1 . PHE 100 100 17660 1 . VAL 101 101 17660 1 . SER 102 102 17660 1 . GLN 103 103 17660 1 . ASP 104 104 17660 1 . SER 105 105 17660 1 . ALA 106 106 17660 1 . ILE 107 107 17660 1 . MET 108 108 17660 1 . ALA 109 109 17660 1 . GLY 110 110 17660 1 . THR 111 111 17660 1 . ILE 112 112 17660 1 . ARG 113 113 17660 1 . GLU 114 114 17660 1 . ASN 115 115 17660 1 . LEU 116 116 17660 1 . THR 117 117 17660 1 . TYR 118 118 17660 1 . GLY 119 119 17660 1 . LEU 120 120 17660 1 . GLU 121 121 17660 1 . GLY 122 122 17660 1 . ASN 123 123 17660 1 . PHE 124 124 17660 1 . THR 125 125 17660 1 . ASP 126 126 17660 1 . GLU 127 127 17660 1 . ASP 128 128 17660 1 . LEU 129 129 17660 1 . TRP 130 130 17660 1 . GLN 131 131 17660 1 . VAL 132 132 17660 1 . LEU 133 133 17660 1 . ASP 134 134 17660 1 . LEU 135 135 17660 1 . ALA 136 136 17660 1 . PHE 137 137 17660 1 . ALA 138 138 17660 1 . ARG 139 139 17660 1 . SER 140 140 17660 1 . PHE 141 141 17660 1 . VAL 142 142 17660 1 . GLU 143 143 17660 1 . ASN 144 144 17660 1 . MET 145 145 17660 1 . PRO 146 146 17660 1 . ASP 147 147 17660 1 . GLN 148 148 17660 1 . LEU 149 149 17660 1 . ASN 150 150 17660 1 . THR 151 151 17660 1 . GLU 152 152 17660 1 . VAL 153 153 17660 1 . GLY 154 154 17660 1 . GLU 155 155 17660 1 . ARG 156 156 17660 1 . GLY 157 157 17660 1 . VAL 158 158 17660 1 . LYS 159 159 17660 1 . ILE 160 160 17660 1 . SER 161 161 17660 1 . GLY 162 162 17660 1 . GLY 163 163 17660 1 . GLN 164 164 17660 1 . ARG 165 165 17660 1 . GLN 166 166 17660 1 . ARG 167 167 17660 1 . LEU 168 168 17660 1 . ALA 169 169 17660 1 . ILE 170 170 17660 1 . ALA 171 171 17660 1 . ARG 172 172 17660 1 . ALA 173 173 17660 1 . PHE 174 174 17660 1 . LEU 175 175 17660 1 . ARG 176 176 17660 1 . ASN 177 177 17660 1 . PRO 178 178 17660 1 . LYS 179 179 17660 1 . ILE 180 180 17660 1 . LEU 181 181 17660 1 . MET 182 182 17660 1 . LEU 183 183 17660 1 . ASP 184 184 17660 1 . GLU 185 185 17660 1 . ALA 186 186 17660 1 . THR 187 187 17660 1 . ALA 188 188 17660 1 . SER 189 189 17660 1 . LEU 190 190 17660 1 . ASP 191 191 17660 1 . SER 192 192 17660 1 . GLU 193 193 17660 1 . SER 194 194 17660 1 . GLU 195 195 17660 1 . SER 196 196 17660 1 . MET 197 197 17660 1 . VAL 198 198 17660 1 . GLN 199 199 17660 1 . ARG 200 200 17660 1 . ALA 201 201 17660 1 . LEU 202 202 17660 1 . ASP 203 203 17660 1 . SER 204 204 17660 1 . LEU 205 205 17660 1 . MET 206 206 17660 1 . LYS 207 207 17660 1 . GLY 208 208 17660 1 . ARG 209 209 17660 1 . THR 210 210 17660 1 . THR 211 211 17660 1 . LEU 212 212 17660 1 . VAL 213 213 17660 1 . ILE 214 214 17660 1 . ALA 215 215 17660 1 . HIS 216 216 17660 1 . ARG 217 217 17660 1 . LEU 218 218 17660 1 . SER 219 219 17660 1 . THR 220 220 17660 1 . ILE 221 221 17660 1 . VAL 222 222 17660 1 . ASP 223 223 17660 1 . ALA 224 224 17660 1 . ASP 225 225 17660 1 . LYS 226 226 17660 1 . ILE 227 227 17660 1 . TYR 228 228 17660 1 . PHE 229 229 17660 1 . ILE 230 230 17660 1 . GLU 231 231 17660 1 . LYS 232 232 17660 1 . GLY 233 233 17660 1 . GLU 234 234 17660 1 . ILE 235 235 17660 1 . THR 236 236 17660 1 . GLY 237 237 17660 1 . SER 238 238 17660 1 . GLY 239 239 17660 1 . LYS 240 240 17660 1 . HIS 241 241 17660 1 . ASN 242 242 17660 1 . GLU 243 243 17660 1 . LEU 244 244 17660 1 . VAL 245 245 17660 1 . ALA 246 246 17660 1 . THR 247 247 17660 1 . HIS 248 248 17660 1 . PRO 249 249 17660 1 . LEU 250 250 17660 1 . TYR 251 251 17660 1 . ALA 252 252 17660 1 . LYS 253 253 17660 1 . TYR 254 254 17660 1 . VAL 255 255 17660 1 . SER 256 256 17660 1 . GLU 257 257 17660 1 . GLN 258 258 17660 1 . LEU 259 259 17660 1 . THR 260 260 17660 1 . VAL 261 261 17660 1 . GLY 262 262 17660 1 . GLN 263 263 17660 1 stop_ save_ save_ADP _Entity.Sf_category entity _Entity.Sf_framecode ADP _Entity.Entry_ID 17660 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ADP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ADP . 17660 2 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 17660 _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 $LmrA-NBD . 1358 organism . 'Lactococcus lactis' 'Lactococcus lactis' . . Bacteria . Lactococcus lactis . . . . . . . . . . . . . . . . . . . . . 17660 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 17660 _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 $LmrA-NBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11 . . . . . . 17660 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 17660 _Chem_comp.ID ADP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 23 11:24:23 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17660 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17660 ADP InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19,21H,11H2 InChI InChI 1.02b 17660 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17660 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 17660 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 17660 ADP XTWYTFMLZFPYCI-PMDNFNIXDW InChIKey InChI 1.02b 17660 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17660 ADP 'adenosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 17660 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB . PB . . P . . N 0 . . . . no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 17660 ADP O1B . O1B . . O . . N 0 . . . . no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 17660 ADP O2B . O2B . . O . . N 0 . . . . no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 17660 ADP O3B . O3B . . O . . N 0 . . . . no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 17660 ADP PA . PA . . P . . S 0 . . . . no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 17660 ADP O1A . O1A . . O . . N 0 . . . . no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 17660 ADP O2A . O2A . . O . . N 0 . . . . no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 17660 ADP O3A . O3A . . O . . N 0 . . . . no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 17660 ADP O5' . O5' . . O . . N 0 . . . . no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 17660 ADP C5' . C5' . . C . . N 0 . . . . no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 17660 ADP C4' . C4' . . C . . R 0 . . . . no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 17660 ADP O4' . O4' . . O . . N 0 . . . . no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 17660 ADP C3' . C3' . . C . . S 0 . . . . no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 17660 ADP O3' . O3' . . O . . N 0 . . . . no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 17660 ADP C2' . C2' . . C . . R 0 . . . . no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 17660 ADP O2' . O2' . . O . . N 0 . . . . no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 17660 ADP C1' . C1' . . C . . R 0 . . . . no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 17660 ADP N9 . N9 . . N . . N 0 . . . . yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 17660 ADP C8 . C8 . . C . . N 0 . . . . yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 17660 ADP N7 . N7 . . N . . N 0 . . . . yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 17660 ADP C5 . C5 . . C . . N 0 . . . . yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 17660 ADP C6 . C6 . . C . . N 0 . . . . yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 17660 ADP N6 . N6 . . N . . N 0 . . . . no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 17660 ADP N1 . N1 . . N . . N 0 . . . . yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 17660 ADP C2 . C2 . . C . . N 0 . . . . yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 17660 ADP N3 . N3 . . N . . N 0 . . . . yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 17660 ADP C4 . C4 . . C . . N 0 . . . . yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 17660 ADP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 17660 ADP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 17660 ADP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 17660 ADP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 17660 ADP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 17660 ADP H4' . H4' . . H . . N 0 . . . . no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 17660 ADP H3' . H3' . . H . . N 0 . . . . no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 17660 ADP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 17660 ADP H2' . H2' . . H . . N 0 . . . . no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 17660 ADP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 17660 ADP H1' . H1' . . H . . N 0 . . . . no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 17660 ADP H8 . H8 . . H . . N 0 . . . . no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 17660 ADP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 17660 ADP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 17660 ADP H2 . H2 . . H . . N 0 . . . . no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 17660 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 17660 ADP 2 . SING PB O2B no N 2 . 17660 ADP 3 . SING PB O3B no N 3 . 17660 ADP 4 . SING PB O3A no N 4 . 17660 ADP 5 . SING O2B HOB2 no N 5 . 17660 ADP 6 . SING O3B HOB3 no N 6 . 17660 ADP 7 . DOUB PA O1A no N 7 . 17660 ADP 8 . SING PA O2A no N 8 . 17660 ADP 9 . SING PA O3A no N 9 . 17660 ADP 10 . SING PA O5' no N 10 . 17660 ADP 11 . SING O2A HOA2 no N 11 . 17660 ADP 12 . SING O5' C5' no N 12 . 17660 ADP 13 . SING C5' C4' no N 13 . 17660 ADP 14 . SING C5' H5'1 no N 14 . 17660 ADP 15 . SING C5' H5'2 no N 15 . 17660 ADP 16 . SING C4' O4' no N 16 . 17660 ADP 17 . SING C4' C3' no N 17 . 17660 ADP 18 . SING C4' H4' no N 18 . 17660 ADP 19 . SING O4' C1' no N 19 . 17660 ADP 20 . SING C3' O3' no N 20 . 17660 ADP 21 . SING C3' C2' no N 21 . 17660 ADP 22 . SING C3' H3' no N 22 . 17660 ADP 23 . SING O3' HO3' no N 23 . 17660 ADP 24 . SING C2' O2' no N 24 . 17660 ADP 25 . SING C2' C1' no N 25 . 17660 ADP 26 . SING C2' H2' no N 26 . 17660 ADP 27 . SING O2' HO2' no N 27 . 17660 ADP 28 . SING C1' N9 no N 28 . 17660 ADP 29 . SING C1' H1' no N 29 . 17660 ADP 30 . SING N9 C8 yes N 30 . 17660 ADP 31 . SING N9 C4 yes N 31 . 17660 ADP 32 . DOUB C8 N7 yes N 32 . 17660 ADP 33 . SING C8 H8 no N 33 . 17660 ADP 34 . SING N7 C5 yes N 34 . 17660 ADP 35 . SING C5 C6 yes N 35 . 17660 ADP 36 . DOUB C5 C4 yes N 36 . 17660 ADP 37 . SING C6 N6 no N 37 . 17660 ADP 38 . DOUB C6 N1 yes N 38 . 17660 ADP 39 . SING N6 HN61 no N 39 . 17660 ADP 40 . SING N6 HN62 no N 40 . 17660 ADP 41 . SING N1 C2 yes N 41 . 17660 ADP 42 . DOUB C2 N3 yes N 42 . 17660 ADP 43 . SING C2 H2 no N 43 . 17660 ADP 44 . SING N3 C4 yes N 44 . 17660 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17660 _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 LmrA-NBD '[U-100% 15N; U-90% 2H]' . . 1 $LmrA-NBD . . 300 . . uM . . . . 17660 1 2 ADP 'natural abundance' . . 2 $ADP . . 10 . . mM . . . . 17660 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17660 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17660 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17660 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17660 _Sample.ID 2 _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 LmrA-NBD '[U-100% 13C; U-100% 15N; U-90% 2H]' . . 1 $LmrA-NBD . . 300 . . uM . . . . 17660 2 2 ADP 'natural abundance' . . 2 $ADP . . 10 . . mM . . . . 17660 2 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 17660 2 4 D20 'natural abundance' . . . . . . 10 . . % . . . . 17660 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 17660 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17660 _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 'ionic strength' 50 . mM 17660 1 pH 6.5 . pH 17660 1 pressure 1 . atm 17660 1 temperature 298 . K 17660 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17660 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17660 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17660 1 processing 17660 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 17660 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17660 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17660 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17660 _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 . 950 . . . 17660 1 2 spectrometer_2 Bruker Avance . 900 . . . 17660 1 3 spectrometer_3 Bruker Avance . 800 . . . 17660 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 17660 _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 . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17660 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17660 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17660 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17660 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17660 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17660 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17660 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 17660 _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 . indirect 0.251449530 . . . . . . . . . 17660 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17660 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17660 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 17660 _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' . . . 17660 1 2 '3D HNCA' . . . 17660 1 3 '3D HNCACB' . . . 17660 1 4 '3D HNCO' . . . 17660 1 5 '3D HN(CO)CA' . . . 17660 1 6 '3D HN(COCA)CB' . . . 17660 1 7 '3D 1H-15N NOESY' . . . 17660 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 17660 1 'TROSY offset' 'amide protons' . . . 17660 1 'TROSY offset' 'amide nitrogens' . . . 17660 1 . 'all 13C' . 1.96 . 17660 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 171.884 0.3 . 1 . . . . 2 SER C . 17660 1 2 . 1 1 2 2 SER CA C 13 55.550 0.3 . 1 . . . . 2 SER CA . 17660 1 3 . 1 1 2 2 SER CB C 13 60.468 0.3 . 1 . . . . 2 SER CB . 17660 1 4 . 1 1 3 3 ASP H H 1 8.478 0.020 . 1 . . . . 3 ASP H . 17660 1 5 . 1 1 3 3 ASP C C 13 173.793 0.3 . 1 . . . . 3 ASP C . 17660 1 6 . 1 1 3 3 ASP CA C 13 51.891 0.3 . 1 . . . . 3 ASP CA . 17660 1 7 . 1 1 3 3 ASP CB C 13 37.353 0.3 . 1 . . . . 3 ASP CB . 17660 1 8 . 1 1 3 3 ASP N N 15 122.000 0.3 . 1 . . . . 3 ASP N . 17660 1 9 . 1 1 4 4 GLU H H 1 8.166 0.020 . 1 . . . . 4 GLU H . 17660 1 10 . 1 1 4 4 GLU C C 13 174.134 0.3 . 1 . . . . 4 GLU C . 17660 1 11 . 1 1 4 4 GLU CA C 13 53.911 0.3 . 1 . . . . 4 GLU CA . 17660 1 12 . 1 1 4 4 GLU CB C 13 26.438 0.3 . 1 . . . . 4 GLU CB . 17660 1 13 . 1 1 4 4 GLU N N 15 120.265 0.3 . 1 . . . . 4 GLU N . 17660 1 14 . 1 1 5 5 GLU H H 1 8.129 0.020 . 1 . . . . 5 GLU H . 17660 1 15 . 1 1 5 5 GLU C C 13 173.980 0.3 . 1 . . . . 5 GLU C . 17660 1 16 . 1 1 5 5 GLU CA C 13 53.655 0.3 . 1 . . . . 5 GLU CA . 17660 1 17 . 1 1 5 5 GLU CB C 13 26.392 0.3 . 1 . . . . 5 GLU CB . 17660 1 18 . 1 1 5 5 GLU N N 15 121.433 0.3 . 1 . . . . 5 GLU N . 17660 1 19 . 1 1 6 6 GLN H H 1 8.133 0.020 . 1 . . . . 6 GLN H . 17660 1 20 . 1 1 6 6 GLN C C 13 173.384 0.3 . 1 . . . . 6 GLN C . 17660 1 21 . 1 1 6 6 GLN CA C 13 52.760 0.3 . 1 . . . . 6 GLN CA . 17660 1 22 . 1 1 6 6 GLN CB C 13 26.064 0.3 . 1 . . . . 6 GLN CB . 17660 1 23 . 1 1 6 6 GLN N N 15 120.842 0.3 . 1 . . . . 6 GLN N . 17660 1 24 . 1 1 7 7 GLU H H 1 8.262 0.020 . 1 . . . . 7 GLU H . 17660 1 25 . 1 1 7 7 GLU C C 13 173.827 0.3 . 1 . . . . 7 GLU C . 17660 1 26 . 1 1 7 7 GLU CA C 13 53.655 0.3 . 1 . . . . 7 GLU CA . 17660 1 27 . 1 1 7 7 GLU CB C 13 26.392 0.3 . 1 . . . . 7 GLU CB . 17660 1 28 . 1 1 7 7 GLU N N 15 122.588 0.3 . 1 . . . . 7 GLU N . 17660 1 29 . 1 1 8 8 VAL H H 1 8.023 0.020 . 1 . . . . 8 VAL H . 17660 1 30 . 1 1 8 8 VAL C C 13 173.367 0.3 . 1 . . . . 8 VAL C . 17660 1 31 . 1 1 8 8 VAL CA C 13 59.305 0.3 . 1 . . . . 8 VAL CA . 17660 1 32 . 1 1 8 8 VAL CB C 13 28.778 0.3 . 1 . . . . 8 VAL CB . 17660 1 33 . 1 1 8 8 VAL N N 15 121.946 0.3 . 1 . . . . 8 VAL N . 17660 1 34 . 1 1 9 9 LEU H H 1 8.072 0.020 . 1 . . . . 9 LEU H . 17660 1 35 . 1 1 9 9 LEU C C 13 174.338 0.3 . 1 . . . . 9 LEU C . 17660 1 36 . 1 1 9 9 LEU CA C 13 51.968 0.3 . 1 . . . . 9 LEU CA . 17660 1 37 . 1 1 9 9 LEU CB C 13 38.695 0.3 . 1 . . . . 9 LEU CB . 17660 1 38 . 1 1 9 9 LEU N N 15 125.459 0.3 . 1 . . . . 9 LEU N . 17660 1 39 . 1 1 10 10 HIS H H 1 8.328 0.020 . 1 . . . . 10 HIS H . 17660 1 40 . 1 1 10 10 HIS C C 13 172.037 0.3 . 1 . . . . 10 HIS C . 17660 1 41 . 1 1 10 10 HIS CA C 13 52.325 0.3 . 1 . . . . 10 HIS CA . 17660 1 42 . 1 1 10 10 HIS CB C 13 25.765 0.3 . 1 . . . . 10 HIS CB . 17660 1 43 . 1 1 10 10 HIS N N 15 120.253 0.3 . 1 . . . . 10 HIS N . 17660 1 44 . 1 1 11 11 GLN H H 1 8.314 0.020 . 1 . . . . 11 GLN H . 17660 1 45 . 1 1 11 11 GLN C C 13 173.639 0.3 . 1 . . . . 11 GLN C . 17660 1 46 . 1 1 11 11 GLN CA C 13 52.965 0.3 . 1 . . . . 11 GLN CA . 17660 1 47 . 1 1 11 11 GLN CB C 13 25.870 0.3 . 1 . . . . 11 GLN CB . 17660 1 48 . 1 1 11 11 GLN N N 15 122.476 0.3 . 1 . . . . 11 GLN N . 17660 1 49 . 1 1 12 12 GLY H H 1 8.321 0.020 . 1 . . . . 12 GLY H . 17660 1 50 . 1 1 12 12 GLY C C 13 170.980 0.3 . 1 . . . . 12 GLY C . 17660 1 51 . 1 1 12 12 GLY CA C 13 41.972 0.3 . 1 . . . . 12 GLY CA . 17660 1 52 . 1 1 12 12 GLY N N 15 110.468 0.3 . 1 . . . . 12 GLY N . 17660 1 53 . 1 1 13 13 ASP H H 1 8.125 0.020 . 1 . . . . 13 ASP H . 17660 1 54 . 1 1 13 13 ASP C C 13 173.707 0.3 . 1 . . . . 13 ASP C . 17660 1 55 . 1 1 13 13 ASP CA C 13 51.073 0.3 . 1 . . . . 13 ASP CA . 17660 1 56 . 1 1 13 13 ASP CB C 13 38.429 0.3 . 1 . . . . 13 ASP CB . 17660 1 57 . 1 1 13 13 ASP N N 15 120.370 0.3 . 1 . . . . 13 ASP N . 17660 1 58 . 1 1 14 14 SER H H 1 8.173 0.020 . 1 . . . . 14 SER H . 17660 1 59 . 1 1 14 14 SER C C 13 170.861 0.3 . 1 . . . . 14 SER C . 17660 1 60 . 1 1 14 14 SER CA C 13 54.933 0.3 . 1 . . . . 14 SER CA . 17660 1 61 . 1 1 14 14 SER CB C 13 60.960 0.3 . 1 . . . . 14 SER CB . 17660 1 62 . 1 1 14 14 SER N N 15 116.023 0.3 . 1 . . . . 14 SER N . 17660 1 63 . 1 1 15 15 LEU H H 1 8.187 0.020 . 1 . . . . 15 LEU H . 17660 1 64 . 1 1 15 15 LEU C C 13 172.224 0.3 . 1 . . . . 15 LEU C . 17660 1 65 . 1 1 15 15 LEU CA C 13 51.916 0.3 . 1 . . . . 15 LEU CA . 17660 1 66 . 1 1 15 15 LEU CB C 13 41.156 0.3 . 1 . . . . 15 LEU CB . 17660 1 67 . 1 1 15 15 LEU N N 15 124.683 0.3 . 1 . . . . 15 LEU N . 17660 1 68 . 1 1 16 16 ASP H H 1 8.409 0.020 . 1 . . . . 16 ASP H . 17660 1 69 . 1 1 16 16 ASP C C 13 174.321 0.3 . 1 . . . . 16 ASP C . 17660 1 70 . 1 1 16 16 ASP CA C 13 50.152 0.3 . 1 . . . . 16 ASP CA . 17660 1 71 . 1 1 16 16 ASP CB C 13 37.800 0.3 . 1 . . . . 16 ASP CB . 17660 1 72 . 1 1 16 16 ASP N N 15 125.841 0.3 . 1 . . . . 16 ASP N . 17660 1 73 . 1 1 17 17 LEU H H 1 8.657 0.020 . 1 . . . . 17 LEU H . 17660 1 74 . 1 1 17 17 LEU C C 13 174.849 0.3 . 1 . . . . 17 LEU C . 17660 1 75 . 1 1 17 17 LEU CA C 13 52.939 0.3 . 1 . . . . 17 LEU CA . 17660 1 76 . 1 1 17 17 LEU CB C 13 37.726 0.3 . 1 . . . . 17 LEU CB . 17660 1 77 . 1 1 17 17 LEU N N 15 124.578 0.3 . 1 . . . . 17 LEU N . 17660 1 78 . 1 1 18 18 GLU H H 1 8.282 0.020 . 1 . . . . 18 GLU H . 17660 1 79 . 1 1 18 18 GLU C C 13 175.071 0.3 . 1 . . . . 18 GLU C . 17660 1 80 . 1 1 18 18 GLU CA C 13 54.626 0.3 . 1 . . . . 18 GLU CA . 17660 1 81 . 1 1 18 18 GLU CB C 13 25.945 0.3 . 1 . . . . 18 GLU CB . 17660 1 82 . 1 1 18 18 GLU N N 15 121.174 0.3 . 1 . . . . 18 GLU N . 17660 1 83 . 1 1 19 19 GLY H H 1 9.141 0.020 . 1 . . . . 19 GLY H . 17660 1 84 . 1 1 19 19 GLY C C 13 171.611 0.3 . 1 . . . . 19 GLY C . 17660 1 85 . 1 1 19 19 GLY CA C 13 42.713 0.3 . 1 . . . . 19 GLY CA . 17660 1 86 . 1 1 19 19 GLY N N 15 112.604 0.3 . 1 . . . . 19 GLY N . 17660 1 87 . 1 1 20 20 LYS H H 1 7.290 0.020 . 1 . . . . 20 LYS H . 17660 1 88 . 1 1 20 20 LYS C C 13 172.634 0.3 . 1 . . . . 20 LYS C . 17660 1 89 . 1 1 20 20 LYS CA C 13 51.482 0.3 . 1 . . . . 20 LYS CA . 17660 1 90 . 1 1 20 20 LYS CB C 13 31.444 0.3 . 1 . . . . 20 LYS CB . 17660 1 91 . 1 1 20 20 LYS N N 15 118.879 0.3 . 1 . . . . 20 LYS N . 17660 1 92 . 1 1 21 21 THR H H 1 8.771 0.020 . 1 . . . . 21 THR H . 17660 1 93 . 1 1 21 21 THR C C 13 171.236 0.3 . 1 . . . . 21 THR C . 17660 1 94 . 1 1 21 21 THR CA C 13 60.813 0.3 . 1 . . . . 21 THR CA . 17660 1 95 . 1 1 21 21 THR CB C 13 66.656 0.3 . 1 . . . . 21 THR CB . 17660 1 96 . 1 1 21 21 THR N N 15 119.467 0.3 . 1 . . . . 21 THR N . 17660 1 97 . 1 1 22 22 LEU H H 1 8.525 0.020 . 1 . . . . 22 LEU H . 17660 1 98 . 1 1 22 22 LEU CA C 13 50.715 0.3 . 1 . . . . 22 LEU CA . 17660 1 99 . 1 1 22 22 LEU N N 15 135.062 0.3 . 1 . . . . 22 LEU N . 17660 1 100 . 1 1 23 23 SER H H 1 9.005 0.020 . 1 . . . . 23 SER H . 17660 1 101 . 1 1 23 23 SER C C 13 168.508 0.3 . 1 . . . . 23 SER C . 17660 1 102 . 1 1 23 23 SER CA C 13 53.476 0.3 . 1 . . . . 23 SER CA . 17660 1 103 . 1 1 23 23 SER CB C 13 62.034 0.3 . 1 . . . . 23 SER CB . 17660 1 104 . 1 1 23 23 SER N N 15 121.380 0.3 . 1 . . . . 23 SER N . 17660 1 105 . 1 1 24 24 ALA H H 1 7.840 0.020 . 1 . . . . 24 ALA H . 17660 1 106 . 1 1 24 24 ALA C C 13 173.315 0.3 . 1 . . . . 24 ALA C . 17660 1 107 . 1 1 24 24 ALA CA C 13 46.650 0.3 . 1 . . . . 24 ALA CA . 17660 1 108 . 1 1 24 24 ALA CB C 13 16.401 0.3 . 1 . . . . 24 ALA CB . 17660 1 109 . 1 1 24 24 ALA N N 15 125.482 0.3 . 1 . . . . 24 ALA N . 17660 1 110 . 1 1 25 25 HIS H H 1 8.880 0.020 . 1 . . . . 25 HIS H . 17660 1 111 . 1 1 25 25 HIS C C 13 169.992 0.3 . 1 . . . . 25 HIS C . 17660 1 112 . 1 1 25 25 HIS CA C 13 50.408 0.3 . 1 . . . . 25 HIS CA . 17660 1 113 . 1 1 25 25 HIS CB C 13 27.212 0.3 . 1 . . . . 25 HIS CB . 17660 1 114 . 1 1 25 25 HIS N N 15 121.341 0.3 . 1 . . . . 25 HIS N . 17660 1 115 . 1 1 26 26 HIS H H 1 8.032 0.020 . 1 . . . . 26 HIS H . 17660 1 116 . 1 1 26 26 HIS C C 13 170.486 0.3 . 1 . . . . 26 HIS C . 17660 1 117 . 1 1 26 26 HIS CA C 13 52.683 0.3 . 1 . . . . 26 HIS CA . 17660 1 118 . 1 1 26 26 HIS CB C 13 22.664 0.3 . 1 . . . . 26 HIS CB . 17660 1 119 . 1 1 26 26 HIS N N 15 121.574 0.3 . 1 . . . . 26 HIS N . 17660 1 120 . 1 1 27 27 VAL H H 1 9.015 0.020 . 1 . . . . 27 VAL H . 17660 1 121 . 1 1 27 27 VAL C C 13 172.838 0.3 . 1 . . . . 27 VAL C . 17660 1 122 . 1 1 27 27 VAL CA C 13 60.481 0.3 . 1 . . . . 27 VAL CA . 17660 1 123 . 1 1 27 27 VAL CB C 13 28.629 0.3 . 1 . . . . 27 VAL CB . 17660 1 124 . 1 1 27 27 VAL N N 15 120.277 0.3 . 1 . . . . 27 VAL N . 17660 1 125 . 1 1 28 28 ASP H H 1 7.693 0.020 . 1 . . . . 28 ASP H . 17660 1 126 . 1 1 28 28 ASP C C 13 173.724 0.3 . 1 . . . . 28 ASP C . 17660 1 127 . 1 1 28 28 ASP CA C 13 48.312 0.3 . 1 . . . . 28 ASP CA . 17660 1 128 . 1 1 28 28 ASP CB C 13 40.932 0.3 . 1 . . . . 28 ASP CB . 17660 1 129 . 1 1 28 28 ASP N N 15 125.139 0.3 . 1 . . . . 28 ASP N . 17660 1 130 . 1 1 29 29 PHE H H 1 8.065 0.020 . 1 . . . . 29 PHE H . 17660 1 131 . 1 1 29 29 PHE C C 13 169.003 0.3 . 1 . . . . 29 PHE C . 17660 1 132 . 1 1 29 29 PHE CA C 13 57.362 0.3 . 1 . . . . 29 PHE CA . 17660 1 133 . 1 1 29 29 PHE CB C 13 40.037 0.3 . 1 . . . . 29 PHE CB . 17660 1 134 . 1 1 29 29 PHE N N 15 116.495 0.3 . 1 . . . . 29 PHE N . 17660 1 135 . 1 1 30 30 ALA H H 1 5.571 0.020 . 1 . . . . 30 ALA H . 17660 1 136 . 1 1 30 30 ALA C C 13 171.355 0.3 . 1 . . . . 30 ALA C . 17660 1 137 . 1 1 30 30 ALA CA C 13 48.313 0.3 . 1 . . . . 30 ALA CA . 17660 1 138 . 1 1 30 30 ALA CB C 13 19.458 0.3 . 1 . . . . 30 ALA CB . 17660 1 139 . 1 1 30 30 ALA N N 15 130.146 0.3 . 1 . . . . 30 ALA N . 17660 1 140 . 1 1 31 31 TYR H H 1 7.772 0.020 . 1 . . . . 31 TYR H . 17660 1 141 . 1 1 31 31 TYR C C 13 173.401 0.3 . 1 . . . . 31 TYR C . 17660 1 142 . 1 1 31 31 TYR CA C 13 56.365 0.3 . 1 . . . . 31 TYR CA . 17660 1 143 . 1 1 31 31 TYR CB C 13 35.031 0.3 . 1 . . . . 31 TYR CB . 17660 1 144 . 1 1 31 31 TYR N N 15 119.361 0.3 . 1 . . . . 31 TYR N . 17660 1 145 . 1 1 32 32 ASP H H 1 8.548 0.020 . 1 . . . . 32 ASP H . 17660 1 146 . 1 1 32 32 ASP C C 13 173.077 0.3 . 1 . . . . 32 ASP C . 17660 1 147 . 1 1 32 32 ASP CA C 13 51.763 0.3 . 1 . . . . 32 ASP CA . 17660 1 148 . 1 1 32 32 ASP CB C 13 38.099 0.3 . 1 . . . . 32 ASP CB . 17660 1 149 . 1 1 32 32 ASP N N 15 119.712 0.3 . 1 . . . . 32 ASP N . 17660 1 150 . 1 1 33 33 ASP H H 1 8.135 0.020 . 1 . . . . 33 ASP H . 17660 1 151 . 1 1 33 33 ASP C C 13 173.384 0.3 . 1 . . . . 33 ASP C . 17660 1 152 . 1 1 33 33 ASP CA C 13 51.559 0.3 . 1 . . . . 33 ASP CA . 17660 1 153 . 1 1 33 33 ASP CB C 13 37.123 0.3 . 1 . . . . 33 ASP CB . 17660 1 154 . 1 1 33 33 ASP N N 15 116.825 0.3 . 1 . . . . 33 ASP N . 17660 1 155 . 1 1 34 34 SER H H 1 8.070 0.020 . 1 . . . . 34 SER H . 17660 1 156 . 1 1 34 34 SER C C 13 171.543 0.3 . 1 . . . . 34 SER C . 17660 1 157 . 1 1 34 34 SER CA C 13 55.905 0.3 . 1 . . . . 34 SER CA . 17660 1 158 . 1 1 34 34 SER CB C 13 62.230 0.3 . 1 . . . . 34 SER CB . 17660 1 159 . 1 1 34 34 SER N N 15 115.309 0.3 . 1 . . . . 34 SER N . 17660 1 160 . 1 1 35 35 GLU H H 1 7.861 0.020 . 1 . . . . 35 GLU H . 17660 1 161 . 1 1 35 35 GLU C C 13 172.293 0.3 . 1 . . . . 35 GLU C . 17660 1 162 . 1 1 35 35 GLU CA C 13 52.428 0.3 . 1 . . . . 35 GLU CA . 17660 1 163 . 1 1 35 35 GLU CB C 13 27.260 0.3 . 1 . . . . 35 GLU CB . 17660 1 164 . 1 1 35 35 GLU N N 15 119.952 0.3 . 1 . . . . 35 GLU N . 17660 1 165 . 1 1 36 36 GLN H H 1 8.550 0.020 . 1 . . . . 36 GLN H . 17660 1 166 . 1 1 36 36 GLN C C 13 172.565 0.3 . 1 . . . . 36 GLN C . 17660 1 167 . 1 1 36 36 GLN CA C 13 54.550 0.3 . 1 . . . . 36 GLN CA . 17660 1 168 . 1 1 36 36 GLN CB C 13 25.050 0.3 . 1 . . . . 36 GLN CB . 17660 1 169 . 1 1 36 36 GLN N N 15 123.033 0.3 . 1 . . . . 36 GLN N . 17660 1 170 . 1 1 37 37 ILE H H 1 8.282 0.020 . 1 . . . . 37 ILE H . 17660 1 171 . 1 1 37 37 ILE C C 13 172.293 0.3 . 1 . . . . 37 ILE C . 17660 1 172 . 1 1 37 37 ILE CA C 13 56.774 0.3 . 1 . . . . 37 ILE CA . 17660 1 173 . 1 1 37 37 ILE CB C 13 34.594 0.3 . 1 . . . . 37 ILE CB . 17660 1 174 . 1 1 37 37 ILE N N 15 126.050 0.3 . 1 . . . . 37 ILE N . 17660 1 175 . 1 1 38 38 LEU H H 1 7.610 0.020 . 1 . . . . 38 LEU H . 17660 1 176 . 1 1 38 38 LEU C C 13 173.827 0.3 . 1 . . . . 38 LEU C . 17660 1 177 . 1 1 38 38 LEU CA C 13 50.050 0.3 . 1 . . . . 38 LEU CA . 17660 1 178 . 1 1 38 38 LEU CB C 13 40.486 0.3 . 1 . . . . 38 LEU CB . 17660 1 179 . 1 1 38 38 LEU N N 15 114.503 0.3 . 1 . . . . 38 LEU N . 17660 1 180 . 1 1 39 39 HIS H H 1 9.234 0.020 . 1 . . . . 39 HIS H . 17660 1 181 . 1 1 39 39 HIS C C 13 168.713 0.3 . 1 . . . . 39 HIS C . 17660 1 182 . 1 1 39 39 HIS CA C 13 50.536 0.3 . 1 . . . . 39 HIS CA . 17660 1 183 . 1 1 39 39 HIS CB C 13 27.138 0.3 . 1 . . . . 39 HIS CB . 17660 1 184 . 1 1 39 39 HIS N N 15 122.191 0.3 . 1 . . . . 39 HIS N . 17660 1 185 . 1 1 40 40 ASP H H 1 9.216 0.020 . 1 . . . . 40 ASP H . 17660 1 186 . 1 1 40 40 ASP C C 13 172.190 0.3 . 1 . . . . 40 ASP C . 17660 1 187 . 1 1 40 40 ASP CA C 13 51.431 0.3 . 1 . . . . 40 ASP CA . 17660 1 188 . 1 1 40 40 ASP CB C 13 36.160 0.3 . 1 . . . . 40 ASP CB . 17660 1 189 . 1 1 40 40 ASP N N 15 128.832 0.3 . 1 . . . . 40 ASP N . 17660 1 190 . 1 1 41 41 ILE H H 1 9.443 0.020 . 1 . . . . 41 ILE H . 17660 1 191 . 1 1 41 41 ILE C C 13 173.605 0.3 . 1 . . . . 41 ILE C . 17660 1 192 . 1 1 41 41 ILE CA C 13 56.493 0.3 . 1 . . . . 41 ILE CA . 17660 1 193 . 1 1 41 41 ILE CB C 13 32.655 0.3 . 1 . . . . 41 ILE CB . 17660 1 194 . 1 1 41 41 ILE N N 15 120.874 0.3 . 1 . . . . 41 ILE N . 17660 1 195 . 1 1 42 42 SER H H 1 7.401 0.020 . 1 . . . . 42 SER H . 17660 1 196 . 1 1 42 42 SER C C 13 169.395 0.3 . 1 . . . . 42 SER C . 17660 1 197 . 1 1 42 42 SER CA C 13 53.449 0.3 . 1 . . . . 42 SER CA . 17660 1 198 . 1 1 42 42 SER CB C 13 61.959 0.3 . 1 . . . . 42 SER CB . 17660 1 199 . 1 1 42 42 SER N N 15 121.832 0.3 . 1 . . . . 42 SER N . 17660 1 200 . 1 1 43 43 PHE H H 1 7.625 0.020 . 1 . . . . 43 PHE H . 17660 1 201 . 1 1 43 43 PHE C C 13 169.957 0.3 . 1 . . . . 43 PHE C . 17660 1 202 . 1 1 43 43 PHE CA C 13 53.837 0.3 . 1 . . . . 43 PHE CA . 17660 1 203 . 1 1 43 43 PHE CB C 13 35.479 0.3 . 1 . . . . 43 PHE CB . 17660 1 204 . 1 1 43 43 PHE N N 15 115.904 0.3 . 1 . . . . 43 PHE N . 17660 1 205 . 1 1 44 44 GLU H H 1 7.834 0.020 . 1 . . . . 44 GLU H . 17660 1 206 . 1 1 44 44 GLU C C 13 170.929 0.3 . 1 . . . . 44 GLU C . 17660 1 207 . 1 1 44 44 GLU CA C 13 52.377 0.3 . 1 . . . . 44 GLU CA . 17660 1 208 . 1 1 44 44 GLU CB C 13 30.024 0.3 . 1 . . . . 44 GLU CB . 17660 1 209 . 1 1 44 44 GLU N N 15 118.374 0.3 . 1 . . . . 44 GLU N . 17660 1 210 . 1 1 45 45 ALA H H 1 9.368 0.020 . 1 . . . . 45 ALA H . 17660 1 211 . 1 1 45 45 ALA C C 13 172.702 0.3 . 1 . . . . 45 ALA C . 17660 1 212 . 1 1 45 45 ALA CA C 13 47.749 0.3 . 1 . . . . 45 ALA CA . 17660 1 213 . 1 1 45 45 ALA CB C 13 16.848 0.3 . 1 . . . . 45 ALA CB . 17660 1 214 . 1 1 45 45 ALA N N 15 127.514 0.3 . 1 . . . . 45 ALA N . 17660 1 215 . 1 1 46 46 GLN H H 1 7.987 0.020 . 1 . . . . 46 GLN H . 17660 1 216 . 1 1 46 46 GLN CA C 13 51.150 0.3 . 1 . . . . 46 GLN CA . 17660 1 217 . 1 1 46 46 GLN CB C 13 23.857 0.3 . 1 . . . . 46 GLN CB . 17660 1 218 . 1 1 46 46 GLN N N 15 123.028 0.3 . 1 . . . . 46 GLN N . 17660 1 219 . 1 1 47 47 PRO C C 13 174.526 0.3 . 1 . . . . 47 PRO C . 17660 1 220 . 1 1 47 47 PRO CA C 13 59.944 0.3 . 1 . . . . 47 PRO CA . 17660 1 221 . 1 1 47 47 PRO CB C 13 28.156 0.3 . 1 . . . . 47 PRO CB . 17660 1 222 . 1 1 48 48 ASN H H 1 8.398 0.020 . 1 . . . . 48 ASN H . 17660 1 223 . 1 1 48 48 ASN C C 13 171.014 0.3 . 1 . . . . 48 ASN C . 17660 1 224 . 1 1 48 48 ASN CA C 13 51.431 0.3 . 1 . . . . 48 ASN CA . 17660 1 225 . 1 1 48 48 ASN CB C 13 33.761 0.3 . 1 . . . . 48 ASN CB . 17660 1 226 . 1 1 48 48 ASN N N 15 118.429 0.3 . 1 . . . . 48 ASN N . 17660 1 227 . 1 1 49 49 SER H H 1 7.729 0.020 . 1 . . . . 49 SER H . 17660 1 228 . 1 1 49 49 SER C C 13 168.952 0.3 . 1 . . . . 49 SER C . 17660 1 229 . 1 1 49 49 SER CA C 13 54.703 0.3 . 1 . . . . 49 SER CA . 17660 1 230 . 1 1 49 49 SER CB C 13 63.202 0.3 . 1 . . . . 49 SER CB . 17660 1 231 . 1 1 49 49 SER N N 15 112.929 0.3 . 1 . . . . 49 SER N . 17660 1 232 . 1 1 50 50 ILE H H 1 9.053 0.020 . 1 . . . . 50 ILE H . 17660 1 233 . 1 1 50 50 ILE C C 13 173.111 0.3 . 1 . . . . 50 ILE C . 17660 1 234 . 1 1 50 50 ILE CA C 13 57.796 0.3 . 1 . . . . 50 ILE CA . 17660 1 235 . 1 1 50 50 ILE CB C 13 37.428 0.3 . 1 . . . . 50 ILE CB . 17660 1 236 . 1 1 50 50 ILE N N 15 121.341 0.3 . 1 . . . . 50 ILE N . 17660 1 237 . 1 1 51 51 ILE H H 1 8.957 0.020 . 1 . . . . 51 ILE H . 17660 1 238 . 1 1 51 51 ILE C C 13 171.253 0.3 . 1 . . . . 51 ILE C . 17660 1 239 . 1 1 51 51 ILE CA C 13 55.010 0.3 . 1 . . . . 51 ILE CA . 17660 1 240 . 1 1 51 51 ILE CB C 13 36.085 0.3 . 1 . . . . 51 ILE CB . 17660 1 241 . 1 1 51 51 ILE N N 15 124.546 0.3 . 1 . . . . 51 ILE N . 17660 1 242 . 1 1 52 52 ALA H H 1 8.634 0.020 . 1 . . . . 52 ALA H . 17660 1 243 . 1 1 52 52 ALA C C 13 172.582 0.3 . 1 . . . . 52 ALA C . 17660 1 244 . 1 1 52 52 ALA CA C 13 45.627 0.3 . 1 . . . . 52 ALA CA . 17660 1 245 . 1 1 52 52 ALA CB C 13 18.488 0.3 . 1 . . . . 52 ALA CB . 17660 1 246 . 1 1 52 52 ALA N N 15 124.903 0.3 . 1 . . . . 52 ALA N . 17660 1 247 . 1 1 53 53 PHE H H 1 9.233 0.020 . 1 . . . . 53 PHE H . 17660 1 248 . 1 1 53 53 PHE CA C 13 52.811 0.3 . 1 . . . . 53 PHE CA . 17660 1 249 . 1 1 53 53 PHE CB C 13 37.428 0.3 . 1 . . . . 53 PHE CB . 17660 1 250 . 1 1 53 53 PHE N N 15 119.973 0.3 . 1 . . . . 53 PHE N . 17660 1 251 . 1 1 54 54 ALA C C 13 171.372 0.3 . 1 . . . . 54 ALA C . 17660 1 252 . 1 1 54 54 ALA CA C 13 46.471 0.3 . 1 . . . . 54 ALA CA . 17660 1 253 . 1 1 54 54 ALA CB C 13 19.115 0.3 . 1 . . . . 54 ALA CB . 17660 1 254 . 1 1 55 55 GLY H H 1 7.268 0.020 . 1 . . . . 55 GLY H . 17660 1 255 . 1 1 55 55 GLY CA C 13 41.403 0.3 . 1 . . . . 55 GLY CA . 17660 1 256 . 1 1 55 55 GLY N N 15 104.978 0.3 . 1 . . . . 55 GLY N . 17660 1 257 . 1 1 56 56 PRO C C 13 174.662 0.3 . 1 . . . . 56 PRO C . 17660 1 258 . 1 1 56 56 PRO CA C 13 59.305 0.3 . 1 . . . . 56 PRO CA . 17660 1 259 . 1 1 56 56 PRO CB C 13 28.927 0.3 . 1 . . . . 56 PRO CB . 17660 1 260 . 1 1 57 57 SER H H 1 8.645 0.020 . 1 . . . . 57 SER H . 17660 1 261 . 1 1 57 57 SER C C 13 172.753 0.3 . 1 . . . . 57 SER C . 17660 1 262 . 1 1 57 57 SER CA C 13 56.748 0.3 . 1 . . . . 57 SER CA . 17660 1 263 . 1 1 57 57 SER CB C 13 60.095 0.3 . 1 . . . . 57 SER CB . 17660 1 264 . 1 1 57 57 SER N N 15 118.141 0.3 . 1 . . . . 57 SER N . 17660 1 265 . 1 1 58 58 GLY H H 1 11.240 0.020 . 1 . . . . 58 GLY H . 17660 1 266 . 1 1 58 58 GLY C C 13 172.480 0.3 . 1 . . . . 58 GLY C . 17660 1 267 . 1 1 58 58 GLY CA C 13 42.274 0.3 . 1 . . . . 58 GLY CA . 17660 1 268 . 1 1 58 58 GLY N N 15 117.676 0.3 . 1 . . . . 58 GLY N . 17660 1 269 . 1 1 59 59 GLY H H 1 8.099 0.020 . 1 . . . . 59 GLY H . 17660 1 270 . 1 1 59 59 GLY C C 13 169.787 0.3 . 1 . . . . 59 GLY C . 17660 1 271 . 1 1 59 59 GLY CA C 13 43.437 0.3 . 1 . . . . 59 GLY CA . 17660 1 272 . 1 1 59 59 GLY N N 15 110.258 0.3 . 1 . . . . 59 GLY N . 17660 1 273 . 1 1 60 60 GLY H H 1 8.420 0.020 . 1 . . . . 60 GLY H . 17660 1 274 . 1 1 60 60 GLY CA C 13 41.471 0.3 . 1 . . . . 60 GLY CA . 17660 1 275 . 1 1 60 60 GLY N N 15 105.920 0.3 . 1 . . . . 60 GLY N . 17660 1 276 . 1 1 61 61 LYS H H 1 9.460 0.020 . 1 . . . . 61 LYS H . 17660 1 277 . 1 1 61 61 LYS CA C 13 57.619 0.3 . 1 . . . . 61 LYS CA . 17660 1 278 . 1 1 61 61 LYS CB C 13 24.826 0.3 . 1 . . . . 61 LYS CB . 17660 1 279 . 1 1 61 61 LYS N N 15 123.861 0.3 . 1 . . . . 61 LYS N . 17660 1 280 . 1 1 62 62 SER H H 1 10.210 0.020 . 1 . . . . 62 SER H . 17660 1 281 . 1 1 62 62 SER C C 13 175.463 0.3 . 1 . . . . 62 SER C . 17660 1 282 . 1 1 62 62 SER CA C 13 59.535 0.3 . 1 . . . . 62 SER CA . 17660 1 283 . 1 1 62 62 SER N N 15 117.923 0.3 . 1 . . . . 62 SER N . 17660 1 284 . 1 1 63 63 THR H H 1 8.209 0.020 . 1 . . . . 63 THR H . 17660 1 285 . 1 1 63 63 THR C C 13 173.247 0.3 . 1 . . . . 63 THR C . 17660 1 286 . 1 1 63 63 THR CA C 13 64.597 0.3 . 1 . . . . 63 THR CA . 17660 1 287 . 1 1 63 63 THR N N 15 121.737 0.3 . 1 . . . . 63 THR N . 17660 1 288 . 1 1 64 64 ILE H H 1 7.710 0.020 . 1 . . . . 64 ILE H . 17660 1 289 . 1 1 64 64 ILE C C 13 175.429 0.3 . 1 . . . . 64 ILE C . 17660 1 290 . 1 1 64 64 ILE CA C 13 63.779 0.3 . 1 . . . . 64 ILE CA . 17660 1 291 . 1 1 64 64 ILE CB C 13 33.013 0.3 . 1 . . . . 64 ILE CB . 17660 1 292 . 1 1 64 64 ILE N N 15 122.551 0.3 . 1 . . . . 64 ILE N . 17660 1 293 . 1 1 65 65 PHE H H 1 7.186 0.020 . 1 . . . . 65 PHE H . 17660 1 294 . 1 1 65 65 PHE C C 13 175.378 0.3 . 1 . . . . 65 PHE C . 17660 1 295 . 1 1 65 65 PHE CA C 13 55.623 0.3 . 1 . . . . 65 PHE CA . 17660 1 296 . 1 1 65 65 PHE CB C 13 32.117 0.3 . 1 . . . . 65 PHE CB . 17660 1 297 . 1 1 65 65 PHE N N 15 118.966 0.3 . 1 . . . . 65 PHE N . 17660 1 298 . 1 1 66 66 SER H H 1 8.135 0.020 . 1 . . . . 66 SER H . 17660 1 299 . 1 1 66 66 SER CA C 13 59.507 0.3 . 1 . . . . 66 SER CA . 17660 1 300 . 1 1 66 66 SER N N 15 117.330 0.3 . 1 . . . . 66 SER N . 17660 1 301 . 1 1 67 67 LEU C C 13 178.787 0.3 . 1 . . . . 67 LEU C . 17660 1 302 . 1 1 67 67 LEU CA C 13 52.713 0.3 . 1 . . . . 67 LEU CA . 17660 1 303 . 1 1 67 67 LEU CB C 13 38.471 0.3 . 1 . . . . 67 LEU CB . 17660 1 304 . 1 1 68 68 LEU H H 1 8.043 0.020 . 1 . . . . 68 LEU H . 17660 1 305 . 1 1 68 68 LEU C C 13 175.446 0.3 . 1 . . . . 68 LEU C . 17660 1 306 . 1 1 68 68 LEU CA C 13 54.703 0.3 . 1 . . . . 68 LEU CA . 17660 1 307 . 1 1 68 68 LEU CB C 13 37.353 0.3 . 1 . . . . 68 LEU CB . 17660 1 308 . 1 1 68 68 LEU N N 15 122.425 0.3 . 1 . . . . 68 LEU N . 17660 1 309 . 1 1 69 69 GLU H H 1 7.971 0.020 . 1 . . . . 69 GLU H . 17660 1 310 . 1 1 69 69 GLU C C 13 172.412 0.3 . 1 . . . . 69 GLU C . 17660 1 311 . 1 1 69 69 GLU CA C 13 54.499 0.3 . 1 . . . . 69 GLU CA . 17660 1 312 . 1 1 69 69 GLU CB C 13 26.512 0.3 . 1 . . . . 69 GLU CB . 17660 1 313 . 1 1 69 69 GLU N N 15 114.925 0.3 . 1 . . . . 69 GLU N . 17660 1 314 . 1 1 70 70 ARG H H 1 7.710 0.020 . 1 . . . . 70 ARG H . 17660 1 315 . 1 1 70 70 ARG C C 13 172.906 0.3 . 1 . . . . 70 ARG C . 17660 1 316 . 1 1 70 70 ARG CA C 13 54.575 0.3 . 1 . . . . 70 ARG CA . 17660 1 317 . 1 1 70 70 ARG CB C 13 22.477 0.3 . 1 . . . . 70 ARG CB . 17660 1 318 . 1 1 70 70 ARG N N 15 111.892 0.3 . 1 . . . . 70 ARG N . 17660 1 319 . 1 1 71 71 PHE H H 1 7.883 0.020 . 1 . . . . 71 PHE H . 17660 1 320 . 1 1 71 71 PHE C C 13 172.378 0.3 . 1 . . . . 71 PHE C . 17660 1 321 . 1 1 71 71 PHE CA C 13 56.723 0.3 . 1 . . . . 71 PHE CA . 17660 1 322 . 1 1 71 71 PHE CB C 13 35.554 0.3 . 1 . . . . 71 PHE CB . 17660 1 323 . 1 1 71 71 PHE N N 15 116.825 0.3 . 1 . . . . 71 PHE N . 17660 1 324 . 1 1 72 72 TYR H H 1 6.775 0.020 . 1 . . . . 72 TYR H . 17660 1 325 . 1 1 72 72 TYR C C 13 171.185 0.3 . 1 . . . . 72 TYR C . 17660 1 326 . 1 1 72 72 TYR CA C 13 51.737 0.3 . 1 . . . . 72 TYR CA . 17660 1 327 . 1 1 72 72 TYR CB C 13 39.963 0.3 . 1 . . . . 72 TYR CB . 17660 1 328 . 1 1 72 72 TYR N N 15 112.030 0.3 . 1 . . . . 72 TYR N . 17660 1 329 . 1 1 73 73 GLN H H 1 8.685 0.020 . 1 . . . . 73 GLN H . 17660 1 330 . 1 1 73 73 GLN CA C 13 49.846 0.3 . 1 . . . . 73 GLN CA . 17660 1 331 . 1 1 73 73 GLN CB C 13 26.765 0.3 . 1 . . . . 73 GLN CB . 17660 1 332 . 1 1 73 73 GLN N N 15 119.643 0.3 . 1 . . . . 73 GLN N . 17660 1 333 . 1 1 74 74 PRO C C 13 174.014 0.3 . 1 . . . . 74 PRO C . 17660 1 334 . 1 1 74 74 PRO CA C 13 60.498 0.3 . 1 . . . . 74 PRO CA . 17660 1 335 . 1 1 74 74 PRO CB C 13 29.427 0.3 . 1 . . . . 74 PRO CB . 17660 1 336 . 1 1 75 75 THR H H 1 8.688 0.020 . 1 . . . . 75 THR H . 17660 1 337 . 1 1 75 75 THR C C 13 172.548 0.3 . 1 . . . . 75 THR C . 17660 1 338 . 1 1 75 75 THR CA C 13 60.430 0.3 . 1 . . . . 75 THR CA . 17660 1 339 . 1 1 75 75 THR CB C 13 64.995 0.3 . 1 . . . . 75 THR CB . 17660 1 340 . 1 1 75 75 THR N N 15 116.231 0.3 . 1 . . . . 75 THR N . 17660 1 341 . 1 1 76 76 ALA H H 1 7.731 0.020 . 1 . . . . 76 ALA H . 17660 1 342 . 1 1 76 76 ALA C C 13 173.367 0.3 . 1 . . . . 76 ALA C . 17660 1 343 . 1 1 76 76 ALA CA C 13 48.772 0.3 . 1 . . . . 76 ALA CA . 17660 1 344 . 1 1 76 76 ALA CB C 13 18.667 0.3 . 1 . . . . 76 ALA CB . 17660 1 345 . 1 1 76 76 ALA N N 15 121.607 0.3 . 1 . . . . 76 ALA N . 17660 1 346 . 1 1 77 77 GLY H H 1 8.205 0.020 . 1 . . . . 77 GLY H . 17660 1 347 . 1 1 77 77 GLY C C 13 170.759 0.3 . 1 . . . . 77 GLY C . 17660 1 348 . 1 1 77 77 GLY CA C 13 41.710 0.3 . 1 . . . . 77 GLY CA . 17660 1 349 . 1 1 77 77 GLY N N 15 106.078 0.3 . 1 . . . . 77 GLY N . 17660 1 350 . 1 1 78 78 GLU H H 1 7.632 0.020 . 1 . . . . 78 GLU H . 17660 1 351 . 1 1 78 78 GLU C C 13 170.946 0.3 . 1 . . . . 78 GLU C . 17660 1 352 . 1 1 78 78 GLU CA C 13 51.916 0.3 . 1 . . . . 78 GLU CA . 17660 1 353 . 1 1 78 78 GLU CB C 13 30.174 0.3 . 1 . . . . 78 GLU CB . 17660 1 354 . 1 1 78 78 GLU N N 15 113.908 0.3 . 1 . . . . 78 GLU N . 17660 1 355 . 1 1 79 79 ILE H H 1 8.740 0.020 . 1 . . . . 79 ILE H . 17660 1 356 . 1 1 79 79 ILE C C 13 172.753 0.3 . 1 . . . . 79 ILE C . 17660 1 357 . 1 1 79 79 ILE CA C 13 57.106 0.3 . 1 . . . . 79 ILE CA . 17660 1 358 . 1 1 79 79 ILE CB C 13 35.265 0.3 . 1 . . . . 79 ILE CB . 17660 1 359 . 1 1 79 79 ILE N N 15 124.276 0.3 . 1 . . . . 79 ILE N . 17660 1 360 . 1 1 80 80 THR H H 1 9.518 0.020 . 1 . . . . 80 THR H . 17660 1 361 . 1 1 80 80 THR C C 13 170.162 0.3 . 1 . . . . 80 THR C . 17660 1 362 . 1 1 80 80 THR CA C 13 56.032 0.3 . 1 . . . . 80 THR CA . 17660 1 363 . 1 1 80 80 THR CB C 13 69.863 0.3 . 1 . . . . 80 THR CB . 17660 1 364 . 1 1 80 80 THR N N 15 117.142 0.3 . 1 . . . . 80 THR N . 17660 1 365 . 1 1 81 81 ILE H H 1 9.405 0.020 . 1 . . . . 81 ILE H . 17660 1 366 . 1 1 81 81 ILE C C 13 173.401 0.3 . 1 . . . . 81 ILE C . 17660 1 367 . 1 1 81 81 ILE CA C 13 51.891 0.3 . 1 . . . . 81 ILE CA . 17660 1 368 . 1 1 81 81 ILE CB C 13 38.546 0.3 . 1 . . . . 81 ILE CB . 17660 1 369 . 1 1 81 81 ILE N N 15 118.053 0.3 . 1 . . . . 81 ILE N . 17660 1 370 . 1 1 82 82 GLY H H 1 9.288 0.020 . 1 . . . . 82 GLY H . 17660 1 371 . 1 1 82 82 GLY C C 13 172.634 0.3 . 1 . . . . 82 GLY C . 17660 1 372 . 1 1 82 82 GLY CA C 13 44.119 0.3 . 1 . . . . 82 GLY CA . 17660 1 373 . 1 1 82 82 GLY N N 15 118.567 0.3 . 1 . . . . 82 GLY N . 17660 1 374 . 1 1 83 83 GLY H H 1 8.482 0.020 . 1 . . . . 83 GLY H . 17660 1 375 . 1 1 83 83 GLY C C 13 170.196 0.3 . 1 . . . . 83 GLY C . 17660 1 376 . 1 1 83 83 GLY CA C 13 41.530 0.3 . 1 . . . . 83 GLY CA . 17660 1 377 . 1 1 83 83 GLY N N 15 104.308 0.3 . 1 . . . . 83 GLY N . 17660 1 378 . 1 1 84 84 GLN H H 1 7.603 0.020 . 1 . . . . 84 GLN H . 17660 1 379 . 1 1 84 84 GLN CA C 13 48.976 0.3 . 1 . . . . 84 GLN CA . 17660 1 380 . 1 1 84 84 GLN CB C 13 26.168 0.3 . 1 . . . . 84 GLN CB . 17660 1 381 . 1 1 84 84 GLN N N 15 120.790 0.3 . 1 . . . . 84 GLN N . 17660 1 382 . 1 1 85 85 PRO C C 13 177.116 0.3 . 1 . . . . 85 PRO C . 17660 1 383 . 1 1 85 85 PRO CA C 13 60.148 0.3 . 1 . . . . 85 PRO CA . 17660 1 384 . 1 1 85 85 PRO CB C 13 28.554 0.3 . 1 . . . . 85 PRO CB . 17660 1 385 . 1 1 86 86 ILE H H 1 8.478 0.020 . 1 . . . . 86 ILE H . 17660 1 386 . 1 1 86 86 ILE C C 13 173.452 0.3 . 1 . . . . 86 ILE C . 17660 1 387 . 1 1 86 86 ILE CA C 13 62.321 0.3 . 1 . . . . 86 ILE CA . 17660 1 388 . 1 1 86 86 ILE CB C 13 33.028 0.3 . 1 . . . . 86 ILE CB . 17660 1 389 . 1 1 86 86 ILE N N 15 122.615 0.3 . 1 . . . . 86 ILE N . 17660 1 390 . 1 1 87 87 ASP H H 1 8.191 0.020 . 1 . . . . 87 ASP H . 17660 1 391 . 1 1 87 87 ASP C C 13 173.878 0.3 . 1 . . . . 87 ASP C . 17660 1 392 . 1 1 87 87 ASP CA C 13 51.681 0.3 . 1 . . . . 87 ASP CA . 17660 1 393 . 1 1 87 87 ASP CB C 13 36.675 0.3 . 1 . . . . 87 ASP CB . 17660 1 394 . 1 1 87 87 ASP N N 15 117.539 0.3 . 1 . . . . 87 ASP N . 17660 1 395 . 1 1 88 88 SER H H 1 7.669 0.020 . 1 . . . . 88 SER H . 17660 1 396 . 1 1 88 88 SER C C 13 171.014 0.3 . 1 . . . . 88 SER C . 17660 1 397 . 1 1 88 88 SER CA C 13 56.263 0.3 . 1 . . . . 88 SER CA . 17660 1 398 . 1 1 88 88 SER CB C 13 61.035 0.3 . 1 . . . . 88 SER CB . 17660 1 399 . 1 1 88 88 SER N N 15 113.034 0.3 . 1 . . . . 88 SER N . 17660 1 400 . 1 1 89 89 VAL H H 1 7.138 0.020 . 1 . . . . 89 VAL H . 17660 1 401 . 1 1 89 89 VAL C C 13 173.827 0.3 . 1 . . . . 89 VAL C . 17660 1 402 . 1 1 89 89 VAL CA C 13 57.336 0.3 . 1 . . . . 89 VAL CA . 17660 1 403 . 1 1 89 89 VAL CB C 13 29.375 0.3 . 1 . . . . 89 VAL CB . 17660 1 404 . 1 1 89 89 VAL N N 15 123.247 0.3 . 1 . . . . 89 VAL N . 17660 1 405 . 1 1 90 90 SER H H 1 9.037 0.020 . 1 . . . . 90 SER H . 17660 1 406 . 1 1 90 90 SER C C 13 173.026 0.3 . 1 . . . . 90 SER C . 17660 1 407 . 1 1 90 90 SER CA C 13 55.547 0.3 . 1 . . . . 90 SER CA . 17660 1 408 . 1 1 90 90 SER CB C 13 60.169 0.3 . 1 . . . . 90 SER CB . 17660 1 409 . 1 1 90 90 SER N N 15 125.141 0.3 . 1 . . . . 90 SER N . 17660 1 410 . 1 1 91 91 LEU H H 1 8.894 0.020 . 1 . . . . 91 LEU H . 17660 1 411 . 1 1 91 91 LEU C C 13 176.111 0.3 . 1 . . . . 91 LEU C . 17660 1 412 . 1 1 91 91 LEU CA C 13 55.470 0.3 . 1 . . . . 91 LEU CA . 17660 1 413 . 1 1 91 91 LEU CB C 13 38.471 0.3 . 1 . . . . 91 LEU CB . 17660 1 414 . 1 1 91 91 LEU N N 15 128.403 0.3 . 1 . . . . 91 LEU N . 17660 1 415 . 1 1 92 92 GLU H H 1 8.740 0.020 . 1 . . . . 92 GLU H . 17660 1 416 . 1 1 92 92 GLU C C 13 176.707 0.3 . 1 . . . . 92 GLU C . 17660 1 417 . 1 1 92 92 GLU CA C 13 56.493 0.3 . 1 . . . . 92 GLU CA . 17660 1 418 . 1 1 92 92 GLU CB C 13 25.242 0.3 . 1 . . . . 92 GLU CB . 17660 1 419 . 1 1 92 92 GLU N N 15 116.825 0.3 . 1 . . . . 92 GLU N . 17660 1 420 . 1 1 93 93 ASN H H 1 7.622 0.020 . 1 . . . . 93 ASN H . 17660 1 421 . 1 1 93 93 ASN C C 13 175.565 0.3 . 1 . . . . 93 ASN C . 17660 1 422 . 1 1 93 93 ASN CA C 13 53.399 0.3 . 1 . . . . 93 ASN CA . 17660 1 423 . 1 1 93 93 ASN CB C 13 36.682 0.3 . 1 . . . . 93 ASN CB . 17660 1 424 . 1 1 93 93 ASN N N 15 119.954 0.3 . 1 . . . . 93 ASN N . 17660 1 425 . 1 1 94 94 TRP H H 1 8.713 0.020 . 1 . . . . 94 TRP H . 17660 1 426 . 1 1 94 94 TRP C C 13 174.117 0.3 . 1 . . . . 94 TRP C . 17660 1 427 . 1 1 94 94 TRP CA C 13 57.157 0.3 . 1 . . . . 94 TRP CA . 17660 1 428 . 1 1 94 94 TRP CB C 13 27.138 0.3 . 1 . . . . 94 TRP CB . 17660 1 429 . 1 1 94 94 TRP N N 15 122.205 0.3 . 1 . . . . 94 TRP N . 17660 1 430 . 1 1 95 95 ARG H H 1 8.660 0.020 . 1 . . . . 95 ARG H . 17660 1 431 . 1 1 95 95 ARG C C 13 175.906 0.3 . 1 . . . . 95 ARG C . 17660 1 432 . 1 1 95 95 ARG CA C 13 56.441 0.3 . 1 . . . . 95 ARG CA . 17660 1 433 . 1 1 95 95 ARG CB C 13 25.691 0.3 . 1 . . . . 95 ARG CB . 17660 1 434 . 1 1 95 95 ARG N N 15 114.321 0.3 . 1 . . . . 95 ARG N . 17660 1 435 . 1 1 96 96 SER H H 1 7.624 0.020 . 1 . . . . 96 SER H . 17660 1 436 . 1 1 96 96 SER C C 13 172.293 0.3 . 1 . . . . 96 SER C . 17660 1 437 . 1 1 96 96 SER CA C 13 57.694 0.3 . 1 . . . . 96 SER CA . 17660 1 438 . 1 1 96 96 SER CB C 13 60.213 0.3 . 1 . . . . 96 SER CB . 17660 1 439 . 1 1 96 96 SER N N 15 111.815 0.3 . 1 . . . . 96 SER N . 17660 1 440 . 1 1 97 97 GLN H H 1 7.226 0.020 . 1 . . . . 97 GLN H . 17660 1 441 . 1 1 97 97 GLN C C 13 171.440 0.3 . 1 . . . . 97 GLN C . 17660 1 442 . 1 1 97 97 GLN CA C 13 53.092 0.3 . 1 . . . . 97 GLN CA . 17660 1 443 . 1 1 97 97 GLN CB C 13 29.576 0.3 . 1 . . . . 97 GLN CB . 17660 1 444 . 1 1 97 97 GLN N N 15 118.476 0.3 . 1 . . . . 97 GLN N . 17660 1 445 . 1 1 98 98 ILE H H 1 7.041 0.020 . 1 . . . . 98 ILE H . 17660 1 446 . 1 1 98 98 ILE C C 13 172.651 0.3 . 1 . . . . 98 ILE C . 17660 1 447 . 1 1 98 98 ILE CA C 13 55.598 0.3 . 1 . . . . 98 ILE CA . 17660 1 448 . 1 1 98 98 ILE CB C 13 36.824 0.3 . 1 . . . . 98 ILE CB . 17660 1 449 . 1 1 98 98 ILE N N 15 115.952 0.3 . 1 . . . . 98 ILE N . 17660 1 450 . 1 1 99 99 GLY H H 1 8.094 0.020 . 1 . . . . 99 GLY H . 17660 1 451 . 1 1 99 99 GLY C C 13 167.418 0.3 . 1 . . . . 99 GLY C . 17660 1 452 . 1 1 99 99 GLY CA C 13 41.997 0.3 . 1 . . . . 99 GLY CA . 17660 1 453 . 1 1 99 99 GLY N N 15 108.398 0.3 . 1 . . . . 99 GLY N . 17660 1 454 . 1 1 100 100 PHE H H 1 8.450 0.020 . 1 . . . . 100 PHE H . 17660 1 455 . 1 1 100 100 PHE C C 13 172.429 0.3 . 1 . . . . 100 PHE C . 17660 1 456 . 1 1 100 100 PHE CA C 13 51.994 0.3 . 1 . . . . 100 PHE CA . 17660 1 457 . 1 1 100 100 PHE CB C 13 37.502 0.3 . 1 . . . . 100 PHE CB . 17660 1 458 . 1 1 100 100 PHE N N 15 124.416 0.3 . 1 . . . . 100 PHE N . 17660 1 459 . 1 1 101 101 VAL H H 1 8.329 0.020 . 1 . . . . 101 VAL H . 17660 1 460 . 1 1 101 101 VAL C C 13 170.111 0.3 . 1 . . . . 101 VAL C . 17660 1 461 . 1 1 101 101 VAL CA C 13 58.308 0.3 . 1 . . . . 101 VAL CA . 17660 1 462 . 1 1 101 101 VAL CB C 13 30.120 0.3 . 1 . . . . 101 VAL CB . 17660 1 463 . 1 1 101 101 VAL N N 15 129.131 0.3 . 1 . . . . 101 VAL N . 17660 1 464 . 1 1 102 102 SER H H 1 7.917 0.020 . 1 . . . . 102 SER H . 17660 1 465 . 1 1 102 102 SER C C 13 171.884 0.3 . 1 . . . . 102 SER C . 17660 1 466 . 1 1 102 102 SER CA C 13 53.323 0.3 . 1 . . . . 102 SER CA . 17660 1 467 . 1 1 102 102 SER CB C 13 61.931 0.3 . 1 . . . . 102 SER CB . 17660 1 468 . 1 1 102 102 SER N N 15 120.275 0.3 . 1 . . . . 102 SER N . 17660 1 469 . 1 1 103 103 GLN H H 1 8.848 0.020 . 1 . . . . 103 GLN H . 17660 1 470 . 1 1 103 103 GLN C C 13 173.230 0.3 . 1 . . . . 103 GLN C . 17660 1 471 . 1 1 103 103 GLN CA C 13 54.729 0.3 . 1 . . . . 103 GLN CA . 17660 1 472 . 1 1 103 103 GLN CB C 13 25.199 0.3 . 1 . . . . 103 GLN CB . 17660 1 473 . 1 1 103 103 GLN N N 15 121.237 0.3 . 1 . . . . 103 GLN N . 17660 1 474 . 1 1 104 104 ASP H H 1 8.070 0.020 . 1 . . . . 104 ASP H . 17660 1 475 . 1 1 104 104 ASP C C 13 173.247 0.3 . 1 . . . . 104 ASP C . 17660 1 476 . 1 1 104 104 ASP CA C 13 50.766 0.3 . 1 . . . . 104 ASP CA . 17660 1 477 . 1 1 104 104 ASP CB C 13 37.870 0.3 . 1 . . . . 104 ASP CB . 17660 1 478 . 1 1 104 104 ASP N N 15 118.964 0.3 . 1 . . . . 104 ASP N . 17660 1 479 . 1 1 105 105 SER H H 1 7.736 0.020 . 1 . . . . 105 SER H . 17660 1 480 . 1 1 105 105 SER C C 13 171.236 0.3 . 1 . . . . 105 SER C . 17660 1 481 . 1 1 105 105 SER CA C 13 56.058 0.3 . 1 . . . . 105 SER CA . 17660 1 482 . 1 1 105 105 SER CB C 13 60.661 0.3 . 1 . . . . 105 SER CB . 17660 1 483 . 1 1 105 105 SER N N 15 117.180 0.3 . 1 . . . . 105 SER N . 17660 1 484 . 1 1 106 106 ALA H H 1 8.155 0.020 . 1 . . . . 106 ALA H . 17660 1 485 . 1 1 106 106 ALA C C 13 174.696 0.3 . 1 . . . . 106 ALA C . 17660 1 486 . 1 1 106 106 ALA CA C 13 49.309 0.3 . 1 . . . . 106 ALA CA . 17660 1 487 . 1 1 106 106 ALA CB C 13 15.879 0.3 . 1 . . . . 106 ALA CB . 17660 1 488 . 1 1 106 106 ALA N N 15 126.061 0.3 . 1 . . . . 106 ALA N . 17660 1 489 . 1 1 107 107 ILE H H 1 7.938 0.020 . 1 . . . . 107 ILE H . 17660 1 490 . 1 1 107 107 ILE C C 13 172.531 0.3 . 1 . . . . 107 ILE C . 17660 1 491 . 1 1 107 107 ILE CA C 13 56.493 0.3 . 1 . . . . 107 ILE CA . 17660 1 492 . 1 1 107 107 ILE CB C 13 34.956 0.3 . 1 . . . . 107 ILE CB . 17660 1 493 . 1 1 107 107 ILE N N 15 119.381 0.3 . 1 . . . . 107 ILE N . 17660 1 494 . 1 1 108 108 MET H H 1 8.546 0.020 . 1 . . . . 108 MET H . 17660 1 495 . 1 1 108 108 MET C C 13 172.361 0.3 . 1 . . . . 108 MET C . 17660 1 496 . 1 1 108 108 MET CA C 13 51.047 0.3 . 1 . . . . 108 MET CA . 17660 1 497 . 1 1 108 108 MET CB C 13 30.419 0.3 . 1 . . . . 108 MET CB . 17660 1 498 . 1 1 108 108 MET N N 15 125.563 0.3 . 1 . . . . 108 MET N . 17660 1 499 . 1 1 109 109 ALA H H 1 8.117 0.020 . 1 . . . . 109 ALA H . 17660 1 500 . 1 1 109 109 ALA C C 13 173.980 0.3 . 1 . . . . 109 ALA C . 17660 1 501 . 1 1 109 109 ALA CA C 13 49.130 0.3 . 1 . . . . 109 ALA CA . 17660 1 502 . 1 1 109 109 ALA CB C 13 15.282 0.3 . 1 . . . . 109 ALA CB . 17660 1 503 . 1 1 109 109 ALA N N 15 124.463 0.3 . 1 . . . . 109 ALA N . 17660 1 504 . 1 1 110 110 GLY H H 1 7.950 0.020 . 1 . . . . 110 GLY H . 17660 1 505 . 1 1 110 110 GLY C C 13 170.418 0.3 . 1 . . . . 110 GLY C . 17660 1 506 . 1 1 110 110 GLY CA C 13 41.266 0.3 . 1 . . . . 110 GLY CA . 17660 1 507 . 1 1 110 110 GLY N N 15 112.036 0.3 . 1 . . . . 110 GLY N . 17660 1 508 . 1 1 111 111 THR H H 1 8.726 0.020 . 1 . . . . 111 THR H . 17660 1 509 . 1 1 111 111 THR C C 13 175.565 0.3 . 1 . . . . 111 THR C . 17660 1 510 . 1 1 111 111 THR CA C 13 57.694 0.3 . 1 . . . . 111 THR CA . 17660 1 511 . 1 1 111 111 THR CB C 13 69.030 0.3 . 1 . . . . 111 THR CB . 17660 1 512 . 1 1 111 111 THR N N 15 109.931 0.3 . 1 . . . . 111 THR N . 17660 1 513 . 1 1 112 112 ILE H H 1 7.734 0.020 . 1 . . . . 112 ILE H . 17660 1 514 . 1 1 112 112 ILE C C 13 174.935 0.3 . 1 . . . . 112 ILE C . 17660 1 515 . 1 1 112 112 ILE CA C 13 61.682 0.3 . 1 . . . . 112 ILE CA . 17660 1 516 . 1 1 112 112 ILE CB C 13 31.743 0.3 . 1 . . . . 112 ILE CB . 17660 1 517 . 1 1 112 112 ILE N N 15 122.441 0.3 . 1 . . . . 112 ILE N . 17660 1 518 . 1 1 113 113 ARG H H 1 8.196 0.020 . 1 . . . . 113 ARG H . 17660 1 519 . 1 1 113 113 ARG C C 13 175.651 0.3 . 1 . . . . 113 ARG C . 17660 1 520 . 1 1 113 113 ARG CA C 13 57.055 0.3 . 1 . . . . 113 ARG CA . 17660 1 521 . 1 1 113 113 ARG CB C 13 26.064 0.3 . 1 . . . . 113 ARG CB . 17660 1 522 . 1 1 113 113 ARG N N 15 118.874 0.3 . 1 . . . . 113 ARG N . 17660 1 523 . 1 1 114 114 GLU H H 1 8.000 0.020 . 1 . . . . 114 GLU H . 17660 1 524 . 1 1 114 114 GLU C C 13 175.787 0.3 . 1 . . . . 114 GLU C . 17660 1 525 . 1 1 114 114 GLU CA C 13 56.084 0.3 . 1 . . . . 114 GLU CA . 17660 1 526 . 1 1 114 114 GLU CB C 13 25.840 0.3 . 1 . . . . 114 GLU CB . 17660 1 527 . 1 1 114 114 GLU N N 15 120.588 0.3 . 1 . . . . 114 GLU N . 17660 1 528 . 1 1 115 115 ASN H H 1 8.132 0.020 . 1 . . . . 115 ASN H . 17660 1 529 . 1 1 115 115 ASN C C 13 174.389 0.3 . 1 . . . . 115 ASN C . 17660 1 530 . 1 1 115 115 ASN CA C 13 54.176 0.3 . 1 . . . . 115 ASN CA . 17660 1 531 . 1 1 115 115 ASN CB C 13 36.675 0.3 . 1 . . . . 115 ASN CB . 17660 1 532 . 1 1 115 115 ASN N N 15 116.832 0.3 . 1 . . . . 115 ASN N . 17660 1 533 . 1 1 116 116 LEU H H 1 7.930 0.020 . 1 . . . . 116 LEU H . 17660 1 534 . 1 1 116 116 LEU C C 13 173.469 0.3 . 1 . . . . 116 LEU C . 17660 1 535 . 1 1 116 116 LEU CA C 13 54.550 0.3 . 1 . . . . 116 LEU CA . 17660 1 536 . 1 1 116 116 LEU CB C 13 39.365 0.3 . 1 . . . . 116 LEU CB . 17660 1 537 . 1 1 116 116 LEU N N 15 117.484 0.3 . 1 . . . . 116 LEU N . 17660 1 538 . 1 1 117 117 THR H H 1 7.200 0.020 . 1 . . . . 117 THR H . 17660 1 539 . 1 1 117 117 THR C C 13 172.855 0.3 . 1 . . . . 117 THR C . 17660 1 540 . 1 1 117 117 THR CA C 13 58.359 0.3 . 1 . . . . 117 THR CA . 17660 1 541 . 1 1 117 117 THR CB C 13 67.162 0.3 . 1 . . . . 117 THR CB . 17660 1 542 . 1 1 117 117 THR N N 15 100.734 0.3 . 1 . . . . 117 THR N . 17660 1 543 . 1 1 118 118 TYR H H 1 7.509 0.020 . 1 . . . . 118 TYR H . 17660 1 544 . 1 1 118 118 TYR C C 13 174.457 0.3 . 1 . . . . 118 TYR C . 17660 1 545 . 1 1 118 118 TYR CA C 13 57.055 0.3 . 1 . . . . 118 TYR CA . 17660 1 546 . 1 1 118 118 TYR CB C 13 34.370 0.3 . 1 . . . . 118 TYR CB . 17660 1 547 . 1 1 118 118 TYR N N 15 124.525 0.3 . 1 . . . . 118 TYR N . 17660 1 548 . 1 1 119 119 GLY H H 1 8.574 0.020 . 1 . . . . 119 GLY H . 17660 1 549 . 1 1 119 119 GLY C C 13 171.151 0.3 . 1 . . . . 119 GLY C . 17660 1 550 . 1 1 119 119 GLY CA C 13 42.227 0.3 . 1 . . . . 119 GLY CA . 17660 1 551 . 1 1 119 119 GLY N N 15 114.583 0.3 . 1 . . . . 119 GLY N . 17660 1 552 . 1 1 120 120 LEU H H 1 7.703 0.020 . 1 . . . . 120 LEU H . 17660 1 553 . 1 1 120 120 LEU C C 13 174.406 0.3 . 1 . . . . 120 LEU C . 17660 1 554 . 1 1 120 120 LEU CA C 13 50.894 0.3 . 1 . . . . 120 LEU CA . 17660 1 555 . 1 1 120 120 LEU CB C 13 38.692 0.3 . 1 . . . . 120 LEU CB . 17660 1 556 . 1 1 120 120 LEU N N 15 120.588 0.3 . 1 . . . . 120 LEU N . 17660 1 557 . 1 1 121 121 GLU H H 1 8.590 0.020 . 1 . . . . 121 GLU H . 17660 1 558 . 1 1 121 121 GLU C C 13 173.520 0.3 . 1 . . . . 121 GLU C . 17660 1 559 . 1 1 121 121 GLU CA C 13 52.888 0.3 . 1 . . . . 121 GLU CA . 17660 1 560 . 1 1 121 121 GLU CB C 13 26.914 0.3 . 1 . . . . 121 GLU CB . 17660 1 561 . 1 1 121 121 GLU N N 15 122.666 0.3 . 1 . . . . 121 GLU N . 17660 1 562 . 1 1 122 122 GLY H H 1 8.008 0.020 . 1 . . . . 122 GLY H . 17660 1 563 . 1 1 122 122 GLY C C 13 169.020 0.3 . 1 . . . . 122 GLY C . 17660 1 564 . 1 1 122 122 GLY CA C 13 40.925 0.3 . 1 . . . . 122 GLY CA . 17660 1 565 . 1 1 122 122 GLY N N 15 109.236 0.3 . 1 . . . . 122 GLY N . 17660 1 566 . 1 1 123 123 ASN H H 1 7.788 0.020 . 1 . . . . 123 ASN H . 17660 1 567 . 1 1 123 123 ASN C C 13 171.099 0.3 . 1 . . . . 123 ASN C . 17660 1 568 . 1 1 123 123 ASN CA C 13 49.002 0.3 . 1 . . . . 123 ASN CA . 17660 1 569 . 1 1 123 123 ASN CB C 13 36.525 0.3 . 1 . . . . 123 ASN CB . 17660 1 570 . 1 1 123 123 ASN N N 15 117.803 0.3 . 1 . . . . 123 ASN N . 17660 1 571 . 1 1 124 124 PHE H H 1 8.465 0.020 . 1 . . . . 124 PHE H . 17660 1 572 . 1 1 124 124 PHE C C 13 174.338 0.3 . 1 . . . . 124 PHE C . 17660 1 573 . 1 1 124 124 PHE CA C 13 54.038 0.3 . 1 . . . . 124 PHE CA . 17660 1 574 . 1 1 124 124 PHE CB C 13 37.353 0.3 . 1 . . . . 124 PHE CB . 17660 1 575 . 1 1 124 124 PHE N N 15 121.983 0.3 . 1 . . . . 124 PHE N . 17660 1 576 . 1 1 125 125 THR H H 1 9.509 0.020 . 1 . . . . 125 THR H . 17660 1 577 . 1 1 125 125 THR C C 13 172.787 0.3 . 1 . . . . 125 THR C . 17660 1 578 . 1 1 125 125 THR CA C 13 57.438 0.3 . 1 . . . . 125 THR CA . 17660 1 579 . 1 1 125 125 THR CB C 13 68.148 0.3 . 1 . . . . 125 THR CB . 17660 1 580 . 1 1 125 125 THR N N 15 118.589 0.3 . 1 . . . . 125 THR N . 17660 1 581 . 1 1 126 126 ASP H H 1 8.998 0.020 . 1 . . . . 126 ASP H . 17660 1 582 . 1 1 126 126 ASP C C 13 174.781 0.3 . 1 . . . . 126 ASP C . 17660 1 583 . 1 1 126 126 ASP CA C 13 54.754 0.3 . 1 . . . . 126 ASP CA . 17660 1 584 . 1 1 126 126 ASP CB C 13 35.340 0.3 . 1 . . . . 126 ASP CB . 17660 1 585 . 1 1 126 126 ASP N N 15 121.198 0.3 . 1 . . . . 126 ASP N . 17660 1 586 . 1 1 127 127 GLU H H 1 8.290 0.020 . 1 . . . . 127 GLU H . 17660 1 587 . 1 1 127 127 GLU C C 13 177.185 0.3 . 1 . . . . 127 GLU C . 17660 1 588 . 1 1 127 127 GLU CA C 13 57.413 0.3 . 1 . . . . 127 GLU CA . 17660 1 589 . 1 1 127 127 GLU CB C 13 25.317 0.3 . 1 . . . . 127 GLU CB . 17660 1 590 . 1 1 127 127 GLU N N 15 118.165 0.3 . 1 . . . . 127 GLU N . 17660 1 591 . 1 1 128 128 ASP H H 1 7.716 0.020 . 1 . . . . 128 ASP H . 17660 1 592 . 1 1 128 128 ASP C C 13 175.872 0.3 . 1 . . . . 128 ASP C . 17660 1 593 . 1 1 128 128 ASP CA C 13 54.115 0.3 . 1 . . . . 128 ASP CA . 17660 1 594 . 1 1 128 128 ASP CB C 13 37.945 0.3 . 1 . . . . 128 ASP CB . 17660 1 595 . 1 1 128 128 ASP N N 15 120.871 0.3 . 1 . . . . 128 ASP N . 17660 1 596 . 1 1 129 129 LEU H H 1 7.364 0.020 . 1 . . . . 129 LEU H . 17660 1 597 . 1 1 129 129 LEU C C 13 176.026 0.3 . 1 . . . . 129 LEU C . 17660 1 598 . 1 1 129 129 LEU CA C 13 53.501 0.3 . 1 . . . . 129 LEU CA . 17660 1 599 . 1 1 129 129 LEU CB C 13 35.629 0.3 . 1 . . . . 129 LEU CB . 17660 1 600 . 1 1 129 129 LEU N N 15 118.294 0.3 . 1 . . . . 129 LEU N . 17660 1 601 . 1 1 130 130 TRP H H 1 8.916 0.020 . 1 . . . . 130 TRP H . 17660 1 602 . 1 1 130 130 TRP C C 13 176.043 0.3 . 1 . . . . 130 TRP C . 17660 1 603 . 1 1 130 130 TRP CA C 13 57.336 0.3 . 1 . . . . 130 TRP CA . 17660 1 604 . 1 1 130 130 TRP CB C 13 25.870 0.3 . 1 . . . . 130 TRP CB . 17660 1 605 . 1 1 130 130 TRP N N 15 119.797 0.3 . 1 . . . . 130 TRP N . 17660 1 606 . 1 1 131 131 GLN H H 1 7.833 0.020 . 1 . . . . 131 GLN H . 17660 1 607 . 1 1 131 131 GLN C C 13 176.759 0.3 . 1 . . . . 131 GLN C . 17660 1 608 . 1 1 131 131 GLN CA C 13 56.109 0.3 . 1 . . . . 131 GLN CA . 17660 1 609 . 1 1 131 131 GLN CB C 13 24.570 0.3 . 1 . . . . 131 GLN CB . 17660 1 610 . 1 1 131 131 GLN N N 15 116.056 0.3 . 1 . . . . 131 GLN N . 17660 1 611 . 1 1 132 132 VAL H H 1 7.144 0.020 . 1 . . . . 132 VAL H . 17660 1 612 . 1 1 132 132 VAL C C 13 175.412 0.3 . 1 . . . . 132 VAL C . 17660 1 613 . 1 1 132 132 VAL CA C 13 62.117 0.3 . 1 . . . . 132 VAL CA . 17660 1 614 . 1 1 132 132 VAL CB C 13 26.737 0.3 . 1 . . . . 132 VAL CB . 17660 1 615 . 1 1 132 132 VAL N N 15 111.892 0.3 . 1 . . . . 132 VAL N . 17660 1 616 . 1 1 133 133 LEU H H 1 7.937 0.020 . 1 . . . . 133 LEU H . 17660 1 617 . 1 1 133 133 LEU C C 13 176.844 0.3 . 1 . . . . 133 LEU C . 17660 1 618 . 1 1 133 133 LEU CA C 13 54.933 0.3 . 1 . . . . 133 LEU CA . 17660 1 619 . 1 1 133 133 LEU CB C 13 36.376 0.3 . 1 . . . . 133 LEU CB . 17660 1 620 . 1 1 133 133 LEU N N 15 121.448 0.3 . 1 . . . . 133 LEU N . 17660 1 621 . 1 1 134 134 ASP H H 1 8.176 0.020 . 1 . . . . 134 ASP H . 17660 1 622 . 1 1 134 134 ASP C C 13 177.662 0.3 . 1 . . . . 134 ASP C . 17660 1 623 . 1 1 134 134 ASP CA C 13 54.074 0.3 . 1 . . . . 134 ASP CA . 17660 1 624 . 1 1 134 134 ASP CB C 13 37.726 0.3 . 1 . . . . 134 ASP CB . 17660 1 625 . 1 1 134 134 ASP N N 15 121.495 0.3 . 1 . . . . 134 ASP N . 17660 1 626 . 1 1 135 135 LEU H H 1 7.213 0.020 . 1 . . . . 135 LEU H . 17660 1 627 . 1 1 135 135 LEU C C 13 173.486 0.3 . 1 . . . . 135 LEU C . 17660 1 628 . 1 1 135 135 LEU CA C 13 53.885 0.3 . 1 . . . . 135 LEU CA . 17660 1 629 . 1 1 135 135 LEU CB C 13 36.906 0.3 . 1 . . . . 135 LEU CB . 17660 1 630 . 1 1 135 135 LEU N N 15 120.889 0.3 . 1 . . . . 135 LEU N . 17660 1 631 . 1 1 136 136 ALA H H 1 6.922 0.020 . 1 . . . . 136 ALA H . 17660 1 632 . 1 1 136 136 ALA C C 13 171.901 0.3 . 1 . . . . 136 ALA C . 17660 1 633 . 1 1 136 136 ALA CA C 13 47.494 0.3 . 1 . . . . 136 ALA CA . 17660 1 634 . 1 1 136 136 ALA CB C 13 16.724 0.3 . 1 . . . . 136 ALA CB . 17660 1 635 . 1 1 136 136 ALA N N 15 115.731 0.3 . 1 . . . . 136 ALA N . 17660 1 636 . 1 1 137 137 PHE H H 1 7.423 0.020 . 1 . . . . 137 PHE H . 17660 1 637 . 1 1 137 137 PHE C C 13 174.151 0.3 . 1 . . . . 137 PHE C . 17660 1 638 . 1 1 137 137 PHE CA C 13 56.595 0.3 . 1 . . . . 137 PHE CA . 17660 1 639 . 1 1 137 137 PHE CB C 13 31.967 0.3 . 1 . . . . 137 PHE CB . 17660 1 640 . 1 1 137 137 PHE N N 15 111.940 0.3 . 1 . . . . 137 PHE N . 17660 1 641 . 1 1 138 138 ALA H H 1 8.842 0.020 . 1 . . . . 138 ALA H . 17660 1 642 . 1 1 138 138 ALA C C 13 172.429 0.3 . 1 . . . . 138 ALA C . 17660 1 643 . 1 1 138 138 ALA CA C 13 47.264 0.3 . 1 . . . . 138 ALA CA . 17660 1 644 . 1 1 138 138 ALA CB C 13 18.861 0.3 . 1 . . . . 138 ALA CB . 17660 1 645 . 1 1 138 138 ALA N N 15 118.902 0.3 . 1 . . . . 138 ALA N . 17660 1 646 . 1 1 139 139 ARG H H 1 7.182 0.020 . 1 . . . . 139 ARG H . 17660 1 647 . 1 1 139 139 ARG C C 13 174.986 0.3 . 1 . . . . 139 ARG C . 17660 1 648 . 1 1 139 139 ARG CA C 13 57.260 0.3 . 1 . . . . 139 ARG CA . 17660 1 649 . 1 1 139 139 ARG CB C 13 26.541 0.3 . 1 . . . . 139 ARG CB . 17660 1 650 . 1 1 139 139 ARG N N 15 119.938 0.3 . 1 . . . . 139 ARG N . 17660 1 651 . 1 1 140 140 SER H H 1 8.410 0.020 . 1 . . . . 140 SER H . 17660 1 652 . 1 1 140 140 SER C C 13 174.304 0.3 . 1 . . . . 140 SER C . 17660 1 653 . 1 1 140 140 SER CA C 13 58.487 0.3 . 1 . . . . 140 SER CA . 17660 1 654 . 1 1 140 140 SER N N 15 112.552 0.3 . 1 . . . . 140 SER N . 17660 1 655 . 1 1 141 141 PHE H H 1 7.632 0.020 . 1 . . . . 141 PHE H . 17660 1 656 . 1 1 141 141 PHE C C 13 174.969 0.3 . 1 . . . . 141 PHE C . 17660 1 657 . 1 1 141 141 PHE CA C 13 56.186 0.3 . 1 . . . . 141 PHE CA . 17660 1 658 . 1 1 141 141 PHE CB C 13 33.761 0.3 . 1 . . . . 141 PHE CB . 17660 1 659 . 1 1 141 141 PHE N N 15 117.440 0.3 . 1 . . . . 141 PHE N . 17660 1 660 . 1 1 142 142 VAL H H 1 6.820 0.020 . 1 . . . . 142 VAL H . 17660 1 661 . 1 1 142 142 VAL C C 13 176.060 0.3 . 1 . . . . 142 VAL C . 17660 1 662 . 1 1 142 142 VAL CA C 13 62.782 0.3 . 1 . . . . 142 VAL CA . 17660 1 663 . 1 1 142 142 VAL CB C 13 27.660 0.3 . 1 . . . . 142 VAL CB . 17660 1 664 . 1 1 142 142 VAL N N 15 123.901 0.3 . 1 . . . . 142 VAL N . 17660 1 665 . 1 1 143 143 GLU H H 1 8.801 0.020 . 1 . . . . 143 GLU H . 17660 1 666 . 1 1 143 143 GLU C C 13 174.730 0.3 . 1 . . . . 143 GLU C . 17660 1 667 . 1 1 143 143 GLU CA C 13 56.186 0.3 . 1 . . . . 143 GLU CA . 17660 1 668 . 1 1 143 143 GLU CB C 13 25.870 0.3 . 1 . . . . 143 GLU CB . 17660 1 669 . 1 1 143 143 GLU N N 15 120.130 0.3 . 1 . . . . 143 GLU N . 17660 1 670 . 1 1 144 144 ASN H H 1 7.087 0.020 . 1 . . . . 144 ASN H . 17660 1 671 . 1 1 144 144 ASN C C 13 172.957 0.3 . 1 . . . . 144 ASN C . 17660 1 672 . 1 1 144 144 ASN CA C 13 50.357 0.3 . 1 . . . . 144 ASN CA . 17660 1 673 . 1 1 144 144 ASN CB C 13 36.376 0.3 . 1 . . . . 144 ASN CB . 17660 1 674 . 1 1 144 144 ASN N N 15 112.794 0.3 . 1 . . . . 144 ASN N . 17660 1 675 . 1 1 145 145 MET H H 1 7.548 0.020 . 1 . . . . 145 MET H . 17660 1 676 . 1 1 145 145 MET CA C 13 51.993 0.3 . 1 . . . . 145 MET CA . 17660 1 677 . 1 1 145 145 MET CB C 13 28.405 0.3 . 1 . . . . 145 MET CB . 17660 1 678 . 1 1 145 145 MET N N 15 123.088 0.3 . 1 . . . . 145 MET N . 17660 1 679 . 1 1 146 146 PRO C C 13 177.372 0.3 . 1 . . . . 146 PRO C . 17660 1 680 . 1 1 146 146 PRO CA C 13 62.647 0.3 . 1 . . . . 146 PRO CA . 17660 1 681 . 1 1 146 146 PRO CB C 13 23.822 0.3 . 1 . . . . 146 PRO CB . 17660 1 682 . 1 1 147 147 ASP H H 1 7.440 0.020 . 1 . . . . 147 ASP H . 17660 1 683 . 1 1 147 147 ASP C C 13 173.452 0.3 . 1 . . . . 147 ASP C . 17660 1 684 . 1 1 147 147 ASP CA C 13 49.820 0.3 . 1 . . . . 147 ASP CA . 17660 1 685 . 1 1 147 147 ASP CB C 13 38.618 0.3 . 1 . . . . 147 ASP CB . 17660 1 686 . 1 1 147 147 ASP N N 15 112.813 0.3 . 1 . . . . 147 ASP N . 17660 1 687 . 1 1 148 148 GLN H H 1 7.695 0.020 . 1 . . . . 148 GLN H . 17660 1 688 . 1 1 148 148 GLN C C 13 175.497 0.3 . 1 . . . . 148 GLN C . 17660 1 689 . 1 1 148 148 GLN CA C 13 55.163 0.3 . 1 . . . . 148 GLN CA . 17660 1 690 . 1 1 148 148 GLN CB C 13 23.449 0.3 . 1 . . . . 148 GLN CB . 17660 1 691 . 1 1 148 148 GLN N N 15 115.635 0.3 . 1 . . . . 148 GLN N . 17660 1 692 . 1 1 149 149 LEU H H 1 8.167 0.020 . 1 . . . . 149 LEU H . 17660 1 693 . 1 1 149 149 LEU C C 13 173.213 0.3 . 1 . . . . 149 LEU C . 17660 1 694 . 1 1 149 149 LEU CA C 13 54.474 0.3 . 1 . . . . 149 LEU CA . 17660 1 695 . 1 1 149 149 LEU CB C 13 38.546 0.3 . 1 . . . . 149 LEU CB . 17660 1 696 . 1 1 149 149 LEU N N 15 122.346 0.3 . 1 . . . . 149 LEU N . 17660 1 697 . 1 1 150 150 ASN H H 1 7.951 0.020 . 1 . . . . 150 ASN H . 17660 1 698 . 1 1 150 150 ASN C C 13 171.099 0.3 . 1 . . . . 150 ASN C . 17660 1 699 . 1 1 150 150 ASN CA C 13 49.258 0.3 . 1 . . . . 150 ASN CA . 17660 1 700 . 1 1 150 150 ASN CB C 13 35.180 0.3 . 1 . . . . 150 ASN CB . 17660 1 701 . 1 1 150 150 ASN N N 15 113.236 0.3 . 1 . . . . 150 ASN N . 17660 1 702 . 1 1 151 151 THR H H 1 7.259 0.020 . 1 . . . . 151 THR H . 17660 1 703 . 1 1 151 151 THR C C 13 171.048 0.3 . 1 . . . . 151 THR C . 17660 1 704 . 1 1 151 151 THR CA C 13 61.554 0.3 . 1 . . . . 151 THR CA . 17660 1 705 . 1 1 151 151 THR CB C 13 66.564 0.3 . 1 . . . . 151 THR CB . 17660 1 706 . 1 1 151 151 THR N N 15 118.246 0.3 . 1 . . . . 151 THR N . 17660 1 707 . 1 1 152 152 GLU H H 1 8.604 0.020 . 1 . . . . 152 GLU H . 17660 1 708 . 1 1 152 152 GLU C C 13 173.026 0.3 . 1 . . . . 152 GLU C . 17660 1 709 . 1 1 152 152 GLU CA C 13 53.399 0.3 . 1 . . . . 152 GLU CA . 17660 1 710 . 1 1 152 152 GLU CB C 13 25.870 0.3 . 1 . . . . 152 GLU CB . 17660 1 711 . 1 1 152 152 GLU N N 15 128.189 0.3 . 1 . . . . 152 GLU N . 17660 1 712 . 1 1 153 153 VAL H H 1 8.498 0.020 . 1 . . . . 153 VAL H . 17660 1 713 . 1 1 153 153 VAL C C 13 173.298 0.3 . 1 . . . . 153 VAL C . 17660 1 714 . 1 1 153 153 VAL CA C 13 56.903 0.3 . 1 . . . . 153 VAL CA . 17660 1 715 . 1 1 153 153 VAL N N 15 120.839 0.3 . 1 . . . . 153 VAL N . 17660 1 716 . 1 1 154 154 GLY H H 1 8.294 0.020 . 1 . . . . 154 GLY H . 17660 1 717 . 1 1 154 154 GLY C C 13 172.634 0.3 . 1 . . . . 154 GLY C . 17660 1 718 . 1 1 154 154 GLY CA C 13 40.959 0.3 . 1 . . . . 154 GLY CA . 17660 1 719 . 1 1 154 154 GLY N N 15 108.699 0.3 . 1 . . . . 154 GLY N . 17660 1 720 . 1 1 155 155 GLU H H 1 8.475 0.020 . 1 . . . . 155 GLU H . 17660 1 721 . 1 1 155 155 GLU C C 13 173.367 0.3 . 1 . . . . 155 GLU C . 17660 1 722 . 1 1 155 155 GLU CA C 13 56.153 0.3 . 1 . . . . 155 GLU CA . 17660 1 723 . 1 1 155 155 GLU CB C 13 26.243 0.3 . 1 . . . . 155 GLU CB . 17660 1 724 . 1 1 155 155 GLU N N 15 121.334 0.3 . 1 . . . . 155 GLU N . 17660 1 725 . 1 1 156 156 ARG H H 1 8.475 0.020 . 1 . . . . 156 ARG H . 17660 1 726 . 1 1 156 156 ARG C C 13 173.367 0.3 . 1 . . . . 156 ARG C . 17660 1 727 . 1 1 156 156 ARG CA C 13 52.506 0.3 . 1 . . . . 156 ARG CA . 17660 1 728 . 1 1 156 156 ARG CB C 13 25.945 0.3 . 1 . . . . 156 ARG CB . 17660 1 729 . 1 1 156 156 ARG N N 15 117.298 0.3 . 1 . . . . 156 ARG N . 17660 1 730 . 1 1 157 157 GLY H H 1 7.533 0.020 . 1 . . . . 157 GLY H . 17660 1 731 . 1 1 157 157 GLY CA C 13 41.676 0.3 . 1 . . . . 157 GLY CA . 17660 1 732 . 1 1 157 157 GLY N N 15 109.102 0.3 . 1 . . . . 157 GLY N . 17660 1 733 . 1 1 159 159 LYS H H 1 8.282 0.020 . 1 . . . . 159 LYS H . 17660 1 734 . 1 1 159 159 LYS N N 15 126.004 0.3 . 1 . . . . 159 LYS N . 17660 1 735 . 1 1 160 160 ILE C C 13 172.855 0.3 . 1 . . . . 160 ILE C . 17660 1 736 . 1 1 160 160 ILE CA C 13 56.296 0.3 . 1 . . . . 160 ILE CA . 17660 1 737 . 1 1 160 160 ILE CB C 13 38.617 0.3 . 1 . . . . 160 ILE CB . 17660 1 738 . 1 1 161 161 SER H H 1 8.369 0.020 . 1 . . . . 161 SER H . 17660 1 739 . 1 1 161 161 SER C C 13 173.077 0.3 . 1 . . . . 161 SER C . 17660 1 740 . 1 1 161 161 SER CA C 13 54.076 0.3 . 1 . . . . 161 SER CA . 17660 1 741 . 1 1 161 161 SER CB C 13 62.380 0.3 . 1 . . . . 161 SER CB . 17660 1 742 . 1 1 161 161 SER N N 15 119.824 0.3 . 1 . . . . 161 SER N . 17660 1 743 . 1 1 162 162 GLY H H 1 9.075 0.020 . 1 . . . . 162 GLY H . 17660 1 744 . 1 1 162 162 GLY C C 13 173.997 0.3 . 1 . . . . 162 GLY C . 17660 1 745 . 1 1 162 162 GLY CA C 13 44.682 0.3 . 1 . . . . 162 GLY CA . 17660 1 746 . 1 1 162 162 GLY N N 15 109.498 0.3 . 1 . . . . 162 GLY N . 17660 1 747 . 1 1 163 163 GLY H H 1 8.850 0.020 . 1 . . . . 163 GLY H . 17660 1 748 . 1 1 163 163 GLY C C 13 175.156 0.3 . 1 . . . . 163 GLY C . 17660 1 749 . 1 1 163 163 GLY CA C 13 43.736 0.3 . 1 . . . . 163 GLY CA . 17660 1 750 . 1 1 163 163 GLY N N 15 109.551 0.3 . 1 . . . . 163 GLY N . 17660 1 751 . 1 1 164 164 GLN H H 1 7.393 0.020 . 1 . . . . 164 GLN H . 17660 1 752 . 1 1 164 164 GLN C C 13 175.037 0.3 . 1 . . . . 164 GLN C . 17660 1 753 . 1 1 164 164 GLN CA C 13 55.802 0.3 . 1 . . . . 164 GLN CA . 17660 1 754 . 1 1 164 164 GLN CB C 13 24.454 0.3 . 1 . . . . 164 GLN CB . 17660 1 755 . 1 1 164 164 GLN N N 15 123.672 0.3 . 1 . . . . 164 GLN N . 17660 1 756 . 1 1 165 165 ARG H H 1 8.573 0.020 . 1 . . . . 165 ARG H . 17660 1 757 . 1 1 165 165 ARG C C 13 176.401 0.3 . 1 . . . . 165 ARG C . 17660 1 758 . 1 1 165 165 ARG CA C 13 57.413 0.3 . 1 . . . . 165 ARG CA . 17660 1 759 . 1 1 165 165 ARG CB C 13 26.318 0.3 . 1 . . . . 165 ARG CB . 17660 1 760 . 1 1 165 165 ARG N N 15 120.378 0.3 . 1 . . . . 165 ARG N . 17660 1 761 . 1 1 166 166 GLN H H 1 8.317 0.020 . 1 . . . . 166 GLN H . 17660 1 762 . 1 1 166 166 GLN C C 13 176.384 0.3 . 1 . . . . 166 GLN C . 17660 1 763 . 1 1 166 166 GLN CA C 13 55.832 0.3 . 1 . . . . 166 GLN CA . 17660 1 764 . 1 1 166 166 GLN CB C 13 25.242 0.3 . 1 . . . . 166 GLN CB . 17660 1 765 . 1 1 166 166 GLN N N 15 117.726 0.3 . 1 . . . . 166 GLN N . 17660 1 766 . 1 1 167 167 ARG H H 1 7.319 0.020 . 1 . . . . 167 ARG H . 17660 1 767 . 1 1 167 167 ARG C C 13 175.497 0.3 . 1 . . . . 167 ARG C . 17660 1 768 . 1 1 167 167 ARG CA C 13 57.669 0.3 . 1 . . . . 167 ARG CA . 17660 1 769 . 1 1 167 167 ARG CB C 13 26.886 0.3 . 1 . . . . 167 ARG CB . 17660 1 770 . 1 1 167 167 ARG N N 15 116.566 0.3 . 1 . . . . 167 ARG N . 17660 1 771 . 1 1 168 168 LEU H H 1 8.076 0.020 . 1 . . . . 168 LEU H . 17660 1 772 . 1 1 168 168 LEU C C 13 175.923 0.3 . 1 . . . . 168 LEU C . 17660 1 773 . 1 1 168 168 LEU CA C 13 54.959 0.3 . 1 . . . . 168 LEU CA . 17660 1 774 . 1 1 168 168 LEU CB C 13 37.273 0.3 . 1 . . . . 168 LEU CB . 17660 1 775 . 1 1 168 168 LEU N N 15 119.724 0.3 . 1 . . . . 168 LEU N . 17660 1 776 . 1 1 169 169 ALA H H 1 7.820 0.020 . 1 . . . . 169 ALA H . 17660 1 777 . 1 1 169 169 ALA CA C 13 51.865 0.3 . 1 . . . . 169 ALA CA . 17660 1 778 . 1 1 169 169 ALA CB C 13 14.258 0.3 . 1 . . . . 169 ALA CB . 17660 1 779 . 1 1 169 169 ALA N N 15 121.984 0.3 . 1 . . . . 169 ALA N . 17660 1 780 . 1 1 170 170 ILE C C 13 173.997 0.3 . 1 . . . . 170 ILE C . 17660 1 781 . 1 1 170 170 ILE CA C 13 62.194 0.3 . 1 . . . . 170 ILE CA . 17660 1 782 . 1 1 170 170 ILE CB C 13 34.669 0.3 . 1 . . . . 170 ILE CB . 17660 1 783 . 1 1 171 171 ALA H H 1 8.287 0.020 . 1 . . . . 171 ALA H . 17660 1 784 . 1 1 171 171 ALA C C 13 175.889 0.3 . 1 . . . . 171 ALA C . 17660 1 785 . 1 1 171 171 ALA CA C 13 52.632 0.3 . 1 . . . . 171 ALA CA . 17660 1 786 . 1 1 171 171 ALA CB C 13 14.835 0.3 . 1 . . . . 171 ALA CB . 17660 1 787 . 1 1 171 171 ALA N N 15 123.727 0.3 . 1 . . . . 171 ALA N . 17660 1 788 . 1 1 172 172 ARG H H 1 7.822 0.020 . 1 . . . . 172 ARG H . 17660 1 789 . 1 1 172 172 ARG C C 13 174.764 0.3 . 1 . . . . 172 ARG C . 17660 1 790 . 1 1 172 172 ARG CA C 13 55.956 0.3 . 1 . . . . 172 ARG CA . 17660 1 791 . 1 1 172 172 ARG CB C 13 26.214 0.3 . 1 . . . . 172 ARG CB . 17660 1 792 . 1 1 172 172 ARG N N 15 117.506 0.3 . 1 . . . . 172 ARG N . 17660 1 793 . 1 1 173 173 ALA H H 1 7.614 0.020 . 1 . . . . 173 ALA H . 17660 1 794 . 1 1 173 173 ALA C C 13 177.236 0.3 . 1 . . . . 173 ALA C . 17660 1 795 . 1 1 173 173 ALA CA C 13 52.249 0.3 . 1 . . . . 173 ALA CA . 17660 1 796 . 1 1 173 173 ALA CB C 13 14.313 0.3 . 1 . . . . 173 ALA CB . 17660 1 797 . 1 1 173 173 ALA N N 15 122.321 0.3 . 1 . . . . 173 ALA N . 17660 1 798 . 1 1 174 174 PHE H H 1 8.337 0.020 . 1 . . . . 174 PHE H . 17660 1 799 . 1 1 174 174 PHE CA C 13 60.072 0.3 . 1 . . . . 174 PHE CA . 17660 1 800 . 1 1 174 174 PHE CB C 13 35.554 0.3 . 1 . . . . 174 PHE CB . 17660 1 801 . 1 1 174 174 PHE N N 15 116.616 0.3 . 1 . . . . 174 PHE N . 17660 1 802 . 1 1 175 175 LEU C C 13 175.855 0.3 . 1 . . . . 175 LEU C . 17660 1 803 . 1 1 175 175 LEU CA C 13 54.076 0.3 . 1 . . . . 175 LEU CA . 17660 1 804 . 1 1 176 176 ARG H H 1 8.078 0.020 . 1 . . . . 176 ARG H . 17660 1 805 . 1 1 176 176 ARG C C 13 174.151 0.3 . 1 . . . . 176 ARG C . 17660 1 806 . 1 1 176 176 ARG CA C 13 55.408 0.3 . 1 . . . . 176 ARG CA . 17660 1 807 . 1 1 176 176 ARG CB C 13 27.110 0.3 . 1 . . . . 176 ARG CB . 17660 1 808 . 1 1 176 176 ARG N N 15 117.836 0.3 . 1 . . . . 176 ARG N . 17660 1 809 . 1 1 177 177 ASN H H 1 8.107 0.020 . 1 . . . . 177 ASN H . 17660 1 810 . 1 1 177 177 ASN CA C 13 49.999 0.3 . 1 . . . . 177 ASN CA . 17660 1 811 . 1 1 177 177 ASN CB C 13 33.611 0.3 . 1 . . . . 177 ASN CB . 17660 1 812 . 1 1 177 177 ASN N N 15 114.243 0.3 . 1 . . . . 177 ASN N . 17660 1 813 . 1 1 178 178 PRO C C 13 174.014 0.3 . 1 . . . . 178 PRO C . 17660 1 814 . 1 1 178 178 PRO CA C 13 59.560 0.3 . 1 . . . . 178 PRO CA . 17660 1 815 . 1 1 179 179 LYS H H 1 8.100 0.020 . 1 . . . . 179 LYS H . 17660 1 816 . 1 1 179 179 LYS C C 13 174.440 0.3 . 1 . . . . 179 LYS C . 17660 1 817 . 1 1 179 179 LYS CA C 13 53.911 0.3 . 1 . . . . 179 LYS CA . 17660 1 818 . 1 1 179 179 LYS CB C 13 29.524 0.3 . 1 . . . . 179 LYS CB . 17660 1 819 . 1 1 179 179 LYS N N 15 121.033 0.3 . 1 . . . . 179 LYS N . 17660 1 820 . 1 1 180 180 ILE H H 1 7.090 0.020 . 1 . . . . 180 ILE H . 17660 1 821 . 1 1 180 180 ILE C C 13 170.707 0.3 . 1 . . . . 180 ILE C . 17660 1 822 . 1 1 180 180 ILE CA C 13 56.825 0.3 . 1 . . . . 180 ILE CA . 17660 1 823 . 1 1 180 180 ILE CB C 13 36.002 0.3 . 1 . . . . 180 ILE CB . 17660 1 824 . 1 1 180 180 ILE N N 15 117.334 0.3 . 1 . . . . 180 ILE N . 17660 1 825 . 1 1 181 181 LEU H H 1 9.006 0.020 . 1 . . . . 181 LEU H . 17660 1 826 . 1 1 181 181 LEU CA C 13 49.207 0.3 . 1 . . . . 181 LEU CA . 17660 1 827 . 1 1 181 181 LEU CB C 13 41.454 0.3 . 1 . . . . 181 LEU CB . 17660 1 828 . 1 1 181 181 LEU N N 15 129.506 0.3 . 1 . . . . 181 LEU N . 17660 1 829 . 1 1 182 182 MET H H 1 8.675 0.020 . 1 . . . . 182 MET H . 17660 1 830 . 1 1 182 182 MET C C 13 171.134 0.3 . 1 . . . . 182 MET C . 17660 1 831 . 1 1 182 182 MET CA C 13 50.862 0.3 . 1 . . . . 182 MET CA . 17660 1 832 . 1 1 182 182 MET CB C 13 31.220 0.3 . 1 . . . . 182 MET CB . 17660 1 833 . 1 1 182 182 MET N N 15 125.871 0.3 . 1 . . . . 182 MET N . 17660 1 834 . 1 1 183 183 LEU H H 1 8.967 0.020 . 1 . . . . 183 LEU H . 17660 1 835 . 1 1 183 183 LEU C C 13 171.764 0.3 . 1 . . . . 183 LEU C . 17660 1 836 . 1 1 183 183 LEU CA C 13 50.050 0.3 . 1 . . . . 183 LEU CA . 17660 1 837 . 1 1 183 183 LEU CB C 13 42.572 0.3 . 1 . . . . 183 LEU CB . 17660 1 838 . 1 1 183 183 LEU N N 15 123.785 0.3 . 1 . . . . 183 LEU N . 17660 1 839 . 1 1 184 184 ASP H H 1 8.364 0.020 . 1 . . . . 184 ASP H . 17660 1 840 . 1 1 184 184 ASP C C 13 173.878 0.3 . 1 . . . . 184 ASP C . 17660 1 841 . 1 1 184 184 ASP CA C 13 49.948 0.3 . 1 . . . . 184 ASP CA . 17660 1 842 . 1 1 184 184 ASP CB C 13 38.770 0.3 . 1 . . . . 184 ASP CB . 17660 1 843 . 1 1 184 184 ASP N N 15 124.984 0.3 . 1 . . . . 184 ASP N . 17660 1 844 . 1 1 185 185 GLU H H 1 7.815 0.020 . 1 . . . . 185 GLU H . 17660 1 845 . 1 1 185 185 GLU C C 13 172.548 0.3 . 1 . . . . 185 GLU C . 17660 1 846 . 1 1 185 185 GLU CA C 13 53.962 0.3 . 1 . . . . 185 GLU CA . 17660 1 847 . 1 1 185 185 GLU CB C 13 27.287 0.3 . 1 . . . . 185 GLU CB . 17660 1 848 . 1 1 185 185 GLU N N 15 122.896 0.3 . 1 . . . . 185 GLU N . 17660 1 849 . 1 1 186 186 ALA H H 1 8.058 0.020 . 1 . . . . 186 ALA H . 17660 1 850 . 1 1 186 186 ALA C C 13 175.105 0.3 . 1 . . . . 186 ALA C . 17660 1 851 . 1 1 186 186 ALA CA C 13 49.718 0.3 . 1 . . . . 186 ALA CA . 17660 1 852 . 1 1 186 186 ALA CB C 13 15.580 0.3 . 1 . . . . 186 ALA CB . 17660 1 853 . 1 1 186 186 ALA N N 15 124.671 0.3 . 1 . . . . 186 ALA N . 17660 1 854 . 1 1 187 187 THR H H 1 7.950 0.020 . 1 . . . . 187 THR H . 17660 1 855 . 1 1 187 187 THR C C 13 171.832 0.3 . 1 . . . . 187 THR C . 17660 1 856 . 1 1 187 187 THR CA C 13 58.308 0.3 . 1 . . . . 187 THR CA . 17660 1 857 . 1 1 187 187 THR CB C 13 66.564 0.3 . 1 . . . . 187 THR CB . 17660 1 858 . 1 1 187 187 THR N N 15 111.758 0.3 . 1 . . . . 187 THR N . 17660 1 859 . 1 1 188 188 ALA H H 1 7.868 0.020 . 1 . . . . 188 ALA H . 17660 1 860 . 1 1 188 188 ALA C C 13 174.730 0.3 . 1 . . . . 188 ALA C . 17660 1 861 . 1 1 188 188 ALA CA C 13 49.411 0.3 . 1 . . . . 188 ALA CA . 17660 1 862 . 1 1 188 188 ALA CB C 13 15.879 0.3 . 1 . . . . 188 ALA CB . 17660 1 863 . 1 1 188 188 ALA N N 15 125.250 0.3 . 1 . . . . 188 ALA N . 17660 1 864 . 1 1 189 189 SER H H 1 8.243 0.020 . 1 . . . . 189 SER H . 17660 1 865 . 1 1 189 189 SER C C 13 171.781 0.3 . 1 . . . . 189 SER C . 17660 1 866 . 1 1 189 189 SER CA C 13 55.189 0.3 . 1 . . . . 189 SER CA . 17660 1 867 . 1 1 189 189 SER CB C 13 60.586 0.3 . 1 . . . . 189 SER CB . 17660 1 868 . 1 1 189 189 SER N N 15 115.098 0.3 . 1 . . . . 189 SER N . 17660 1 869 . 1 1 190 190 LEU H H 1 8.259 0.020 . 1 . . . . 190 LEU H . 17660 1 870 . 1 1 190 190 LEU C C 13 174.168 0.3 . 1 . . . . 190 LEU C . 17660 1 871 . 1 1 190 190 LEU CA C 13 51.405 0.3 . 1 . . . . 190 LEU CA . 17660 1 872 . 1 1 190 190 LEU CB C 13 39.292 0.3 . 1 . . . . 190 LEU CB . 17660 1 873 . 1 1 190 190 LEU N N 15 123.389 0.3 . 1 . . . . 190 LEU N . 17660 1 874 . 1 1 191 191 ASP H H 1 7.910 0.020 . 1 . . . . 191 ASP H . 17660 1 875 . 1 1 191 191 ASP C C 13 175.075 0.3 . 1 . . . . 191 ASP C . 17660 1 876 . 1 1 191 191 ASP CA C 13 50.485 0.3 . 1 . . . . 191 ASP CA . 17660 1 877 . 1 1 191 191 ASP CB C 13 37.721 0.3 . 1 . . . . 191 ASP CB . 17660 1 878 . 1 1 191 191 ASP N N 15 118.974 0.3 . 1 . . . . 191 ASP N . 17660 1 879 . 1 1 192 192 SER H H 1 8.469 0.020 . 1 . . . . 192 SER H . 17660 1 880 . 1 1 192 192 SER C C 13 173.793 0.3 . 1 . . . . 192 SER C . 17660 1 881 . 1 1 192 192 SER CA C 13 58.052 0.3 . 1 . . . . 192 SER CA . 17660 1 882 . 1 1 192 192 SER CB C 13 59.778 0.3 . 1 . . . . 192 SER CB . 17660 1 883 . 1 1 192 192 SER N N 15 117.209 0.3 . 1 . . . . 192 SER N . 17660 1 884 . 1 1 193 193 GLU H H 1 8.326 0.020 . 1 . . . . 193 GLU H . 17660 1 885 . 1 1 193 193 GLU C C 13 175.889 0.3 . 1 . . . . 193 GLU C . 17660 1 886 . 1 1 193 193 GLU CA C 13 55.879 0.3 . 1 . . . . 193 GLU CA . 17660 1 887 . 1 1 193 193 GLU CB C 13 25.796 0.3 . 1 . . . . 193 GLU CB . 17660 1 888 . 1 1 193 193 GLU N N 15 122.842 0.3 . 1 . . . . 193 GLU N . 17660 1 889 . 1 1 194 194 SER H H 1 8.092 0.020 . 1 . . . . 194 SER H . 17660 1 890 . 1 1 194 194 SER C C 13 173.043 0.3 . 1 . . . . 194 SER C . 17660 1 891 . 1 1 194 194 SER CA C 13 58.052 0.3 . 1 . . . . 194 SER CA . 17660 1 892 . 1 1 194 194 SER CB C 13 59.988 0.3 . 1 . . . . 194 SER CB . 17660 1 893 . 1 1 194 194 SER N N 15 116.176 0.3 . 1 . . . . 194 SER N . 17660 1 894 . 1 1 195 195 GLU H H 1 8.343 0.020 . 1 . . . . 195 GLU H . 17660 1 895 . 1 1 195 195 GLU C C 13 175.190 0.3 . 1 . . . . 195 GLU C . 17660 1 896 . 1 1 195 195 GLU CA C 13 56.109 0.3 . 1 . . . . 195 GLU CA . 17660 1 897 . 1 1 195 195 GLU CB C 13 25.796 0.3 . 1 . . . . 195 GLU CB . 17660 1 898 . 1 1 195 195 GLU N N 15 122.025 0.3 . 1 . . . . 195 GLU N . 17660 1 899 . 1 1 196 196 SER H H 1 7.954 0.020 . 1 . . . . 196 SER H . 17660 1 900 . 1 1 196 196 SER C C 13 174.236 0.3 . 1 . . . . 196 SER C . 17660 1 901 . 1 1 196 196 SER CA C 13 58.026 0.3 . 1 . . . . 196 SER CA . 17660 1 902 . 1 1 196 196 SER CB C 13 59.540 0.3 . 1 . . . . 196 SER CB . 17660 1 903 . 1 1 196 196 SER N N 15 114.205 0.3 . 1 . . . . 196 SER N . 17660 1 904 . 1 1 197 197 MET H H 1 7.636 0.020 . 1 . . . . 197 MET H . 17660 1 905 . 1 1 197 197 MET C C 13 175.190 0.3 . 1 . . . . 197 MET C . 17660 1 906 . 1 1 197 197 MET CA C 13 55.214 0.3 . 1 . . . . 197 MET CA . 17660 1 907 . 1 1 197 197 MET CB C 13 29.002 0.3 . 1 . . . . 197 MET CB . 17660 1 908 . 1 1 197 197 MET N N 15 119.938 0.3 . 1 . . . . 197 MET N . 17660 1 909 . 1 1 198 198 VAL H H 1 8.149 0.020 . 1 . . . . 198 VAL H . 17660 1 910 . 1 1 198 198 VAL C C 13 174.679 0.3 . 1 . . . . 198 VAL C . 17660 1 911 . 1 1 198 198 VAL CA C 13 63.983 0.3 . 1 . . . . 198 VAL CA . 17660 1 912 . 1 1 198 198 VAL CB C 13 27.633 0.3 . 1 . . . . 198 VAL CB . 17660 1 913 . 1 1 198 198 VAL N N 15 119.530 0.3 . 1 . . . . 198 VAL N . 17660 1 914 . 1 1 199 199 GLN H H 1 8.040 0.020 . 1 . . . . 199 GLN H . 17660 1 915 . 1 1 199 199 GLN C C 13 175.327 0.3 . 1 . . . . 199 GLN C . 17660 1 916 . 1 1 199 199 GLN CA C 13 56.216 0.3 . 1 . . . . 199 GLN CA . 17660 1 917 . 1 1 199 199 GLN CB C 13 24.196 0.3 . 1 . . . . 199 GLN CB . 17660 1 918 . 1 1 199 199 GLN N N 15 117.956 0.3 . 1 . . . . 199 GLN N . 17660 1 919 . 1 1 200 200 ARG H H 1 7.475 0.020 . 1 . . . . 200 ARG H . 17660 1 920 . 1 1 200 200 ARG C C 13 176.929 0.3 . 1 . . . . 200 ARG C . 17660 1 921 . 1 1 200 200 ARG CA C 13 56.084 0.3 . 1 . . . . 200 ARG CA . 17660 1 922 . 1 1 200 200 ARG CB C 13 26.214 0.3 . 1 . . . . 200 ARG CB . 17660 1 923 . 1 1 200 200 ARG N N 15 117.718 0.3 . 1 . . . . 200 ARG N . 17660 1 924 . 1 1 201 201 ALA H H 1 7.992 0.020 . 1 . . . . 201 ALA H . 17660 1 925 . 1 1 201 201 ALA C C 13 176.776 0.3 . 1 . . . . 201 ALA C . 17660 1 926 . 1 1 201 201 ALA CA C 13 52.249 0.3 . 1 . . . . 201 ALA CA . 17660 1 927 . 1 1 201 201 ALA CB C 13 15.580 0.3 . 1 . . . . 201 ALA CB . 17660 1 928 . 1 1 201 201 ALA N N 15 123.608 0.3 . 1 . . . . 201 ALA N . 17660 1 929 . 1 1 202 202 LEU H H 1 8.684 0.020 . 1 . . . . 202 LEU H . 17660 1 930 . 1 1 202 202 LEU C C 13 176.043 0.3 . 1 . . . . 202 LEU C . 17660 1 931 . 1 1 202 202 LEU CA C 13 54.754 0.3 . 1 . . . . 202 LEU CA . 17660 1 932 . 1 1 202 202 LEU CB C 13 38.248 0.3 . 1 . . . . 202 LEU CB . 17660 1 933 . 1 1 202 202 LEU N N 15 119.088 0.3 . 1 . . . . 202 LEU N . 17660 1 934 . 1 1 203 203 ASP H H 1 8.311 0.020 . 1 . . . . 203 ASP H . 17660 1 935 . 1 1 203 203 ASP C C 13 176.554 0.3 . 1 . . . . 203 ASP C . 17660 1 936 . 1 1 203 203 ASP CA C 13 54.575 0.3 . 1 . . . . 203 ASP CA . 17660 1 937 . 1 1 203 203 ASP CB C 13 36.899 0.3 . 1 . . . . 203 ASP CB . 17660 1 938 . 1 1 203 203 ASP N N 15 119.396 0.3 . 1 . . . . 203 ASP N . 17660 1 939 . 1 1 204 204 SER H H 1 7.586 0.020 . 1 . . . . 204 SER H . 17660 1 940 . 1 1 204 204 SER C C 13 174.679 0.3 . 1 . . . . 204 SER C . 17660 1 941 . 1 1 204 204 SER CA C 13 57.822 0.3 . 1 . . . . 204 SER CA . 17660 1 942 . 1 1 204 204 SER CB C 13 60.362 0.3 . 1 . . . . 204 SER CB . 17660 1 943 . 1 1 204 204 SER N N 15 113.265 0.3 . 1 . . . . 204 SER N . 17660 1 944 . 1 1 205 205 LEU H H 1 8.399 0.020 . 1 . . . . 205 LEU H . 17660 1 945 . 1 1 205 205 LEU C C 13 173.656 0.3 . 1 . . . . 205 LEU C . 17660 1 946 . 1 1 205 205 LEU CA C 13 54.115 0.3 . 1 . . . . 205 LEU CA . 17660 1 947 . 1 1 205 205 LEU CB C 13 37.278 0.3 . 1 . . . . 205 LEU CB . 17660 1 948 . 1 1 205 205 LEU N N 15 124.961 0.3 . 1 . . . . 205 LEU N . 17660 1 949 . 1 1 206 206 MET H H 1 7.854 0.020 . 1 . . . . 206 MET H . 17660 1 950 . 1 1 206 206 MET C C 13 174.355 0.3 . 1 . . . . 206 MET C . 17660 1 951 . 1 1 206 206 MET CA C 13 55.317 0.3 . 1 . . . . 206 MET CA . 17660 1 952 . 1 1 206 206 MET CB C 13 30.846 0.3 . 1 . . . . 206 MET CB . 17660 1 953 . 1 1 206 206 MET N N 15 113.293 0.3 . 1 . . . . 206 MET N . 17660 1 954 . 1 1 207 207 LYS H H 1 6.811 0.020 . 1 . . . . 207 LYS H . 17660 1 955 . 1 1 207 207 LYS C C 13 174.815 0.3 . 1 . . . . 207 LYS C . 17660 1 956 . 1 1 207 207 LYS CA C 13 54.013 0.3 . 1 . . . . 207 LYS CA . 17660 1 957 . 1 1 207 207 LYS CB C 13 28.904 0.3 . 1 . . . . 207 LYS CB . 17660 1 958 . 1 1 207 207 LYS N N 15 116.518 0.3 . 1 . . . . 207 LYS N . 17660 1 959 . 1 1 208 208 GLY H H 1 8.567 0.020 . 1 . . . . 208 GLY H . 17660 1 960 . 1 1 208 208 GLY C C 13 171.151 0.3 . 1 . . . . 208 GLY C . 17660 1 961 . 1 1 208 208 GLY CA C 13 42.892 0.3 . 1 . . . . 208 GLY CA . 17660 1 962 . 1 1 208 208 GLY N N 15 110.678 0.3 . 1 . . . . 208 GLY N . 17660 1 963 . 1 1 209 209 ARG H H 1 7.475 0.020 . 1 . . . . 209 ARG H . 17660 1 964 . 1 1 209 209 ARG C C 13 172.599 0.3 . 1 . . . . 209 ARG C . 17660 1 965 . 1 1 209 209 ARG CA C 13 51.138 0.3 . 1 . . . . 209 ARG CA . 17660 1 966 . 1 1 209 209 ARG CB C 13 28.455 0.3 . 1 . . . . 209 ARG CB . 17660 1 967 . 1 1 209 209 ARG N N 15 117.123 0.3 . 1 . . . . 209 ARG N . 17660 1 968 . 1 1 210 210 THR H H 1 7.818 0.020 . 1 . . . . 210 THR H . 17660 1 969 . 1 1 210 210 THR C C 13 170.571 0.3 . 1 . . . . 210 THR C . 17660 1 970 . 1 1 210 210 THR CA C 13 60.046 0.3 . 1 . . . . 210 THR CA . 17660 1 971 . 1 1 210 210 THR CB C 13 65.593 0.3 . 1 . . . . 210 THR CB . 17660 1 972 . 1 1 210 210 THR N N 15 120.405 0.3 . 1 . . . . 210 THR N . 17660 1 973 . 1 1 211 211 THR H H 1 8.686 0.020 . 1 . . . . 211 THR H . 17660 1 974 . 1 1 211 211 THR C C 13 169.872 0.3 . 1 . . . . 211 THR C . 17660 1 975 . 1 1 211 211 THR CA C 13 59.458 0.3 . 1 . . . . 211 THR CA . 17660 1 976 . 1 1 211 211 THR CB C 13 66.880 0.3 . 1 . . . . 211 THR CB . 17660 1 977 . 1 1 211 211 THR N N 15 125.840 0.3 . 1 . . . . 211 THR N . 17660 1 978 . 1 1 212 212 LEU H H 1 9.195 0.020 . 1 . . . . 212 LEU H . 17660 1 979 . 1 1 212 212 LEU C C 13 172.071 0.3 . 1 . . . . 212 LEU C . 17660 1 980 . 1 1 212 212 LEU CA C 13 51.175 0.3 . 1 . . . . 212 LEU CA . 17660 1 981 . 1 1 212 212 LEU CB C 13 40.336 0.3 . 1 . . . . 212 LEU CB . 17660 1 982 . 1 1 212 212 LEU N N 15 128.451 0.3 . 1 . . . . 212 LEU N . 17660 1 983 . 1 1 213 213 VAL H H 1 9.227 0.020 . 1 . . . . 213 VAL H . 17660 1 984 . 1 1 213 213 VAL C C 13 172.668 0.3 . 1 . . . . 213 VAL C . 17660 1 985 . 1 1 213 213 VAL CA C 13 55.087 0.3 . 1 . . . . 213 VAL CA . 17660 1 986 . 1 1 213 213 VAL CB C 13 32.581 0.3 . 1 . . . . 213 VAL CB . 17660 1 987 . 1 1 213 213 VAL N N 15 121.010 0.3 . 1 . . . . 213 VAL N . 17660 1 988 . 1 1 214 214 ILE H H 1 9.027 0.020 . 1 . . . . 214 ILE H . 17660 1 989 . 1 1 214 214 ILE C C 13 172.139 0.3 . 1 . . . . 214 ILE C . 17660 1 990 . 1 1 214 214 ILE CA C 13 58.972 0.3 . 1 . . . . 214 ILE CA . 17660 1 991 . 1 1 214 214 ILE CB C 13 33.028 0.3 . 1 . . . . 214 ILE CB . 17660 1 992 . 1 1 214 214 ILE N N 15 129.014 0.3 . 1 . . . . 214 ILE N . 17660 1 993 . 1 1 215 215 ALA H H 1 7.865 0.020 . 1 . . . . 215 ALA H . 17660 1 994 . 1 1 215 215 ALA C C 13 173.844 0.3 . 1 . . . . 215 ALA C . 17660 1 995 . 1 1 215 215 ALA CA C 13 48.746 0.3 . 1 . . . . 215 ALA CA . 17660 1 996 . 1 1 215 215 ALA CB C 13 17.445 0.3 . 1 . . . . 215 ALA CB . 17660 1 997 . 1 1 215 215 ALA N N 15 129.305 0.3 . 1 . . . . 215 ALA N . 17660 1 998 . 1 1 216 216 HIS H H 1 10.800 0.020 . 1 . . . . 216 HIS H . 17660 1 999 . 1 1 216 216 HIS C C 13 170.111 0.3 . 1 . . . . 216 HIS C . 17660 1 1000 . 1 1 216 216 HIS CA C 13 52.778 0.3 . 1 . . . . 216 HIS CA . 17660 1 1001 . 1 1 216 216 HIS N N 15 117.602 0.3 . 1 . . . . 216 HIS N . 17660 1 1002 . 1 1 217 217 ARG H H 1 8.000 0.020 . 1 . . . . 217 ARG H . 17660 1 1003 . 1 1 217 217 ARG C C 13 173.622 0.3 . 1 . . . . 217 ARG C . 17660 1 1004 . 1 1 217 217 ARG CA C 13 51.789 0.3 . 1 . . . . 217 ARG CA . 17660 1 1005 . 1 1 217 217 ARG CB C 13 28.679 0.3 . 1 . . . . 217 ARG CB . 17660 1 1006 . 1 1 217 217 ARG N N 15 120.156 0.3 . 1 . . . . 217 ARG N . 17660 1 1007 . 1 1 218 218 LEU H H 1 8.720 0.020 . 1 . . . . 218 LEU H . 17660 1 1008 . 1 1 218 218 LEU C C 13 174.952 0.3 . 1 . . . . 218 LEU C . 17660 1 1009 . 1 1 218 218 LEU CA C 13 54.422 0.3 . 1 . . . . 218 LEU CA . 17660 1 1010 . 1 1 218 218 LEU CB C 13 37.841 0.3 . 1 . . . . 218 LEU CB . 17660 1 1011 . 1 1 218 218 LEU N N 15 125.911 0.3 . 1 . . . . 218 LEU N . 17660 1 1012 . 1 1 219 219 SER H H 1 8.389 0.020 . 1 . . . . 219 SER H . 17660 1 1013 . 1 1 219 219 SER C C 13 173.315 0.3 . 1 . . . . 219 SER C . 17660 1 1014 . 1 1 219 219 SER CA C 13 58.052 0.3 . 1 . . . . 219 SER CA . 17660 1 1015 . 1 1 219 219 SER N N 15 111.464 0.3 . 1 . . . . 219 SER N . 17660 1 1016 . 1 1 220 220 THR H H 1 6.666 0.020 . 1 . . . . 220 THR H . 17660 1 1017 . 1 1 220 220 THR C C 13 172.804 0.3 . 1 . . . . 220 THR C . 17660 1 1018 . 1 1 220 220 THR CA C 13 61.887 0.3 . 1 . . . . 220 THR CA . 17660 1 1019 . 1 1 220 220 THR CB C 13 64.397 0.3 . 1 . . . . 220 THR CB . 17660 1 1020 . 1 1 220 220 THR N N 15 118.822 0.3 . 1 . . . . 220 THR N . 17660 1 1021 . 1 1 221 221 ILE H H 1 7.088 0.020 . 1 . . . . 221 ILE H . 17660 1 1022 . 1 1 221 221 ILE C C 13 174.716 0.3 . 1 . . . . 221 ILE C . 17660 1 1023 . 1 1 221 221 ILE CA C 13 61.452 0.3 . 1 . . . . 221 ILE CA . 17660 1 1024 . 1 1 221 221 ILE CB C 13 34.520 0.3 . 1 . . . . 221 ILE CB . 17660 1 1025 . 1 1 221 221 ILE N N 15 120.409 0.3 . 1 . . . . 221 ILE N . 17660 1 1026 . 1 1 222 222 VAL H H 1 7.986 0.020 . 1 . . . . 222 VAL H . 17660 1 1027 . 1 1 222 222 VAL C C 13 174.492 0.3 . 1 . . . . 222 VAL C . 17660 1 1028 . 1 1 222 222 VAL CA C 13 62.475 0.3 . 1 . . . . 222 VAL CA . 17660 1 1029 . 1 1 222 222 VAL CB C 13 27.585 0.3 . 1 . . . . 222 VAL CB . 17660 1 1030 . 1 1 222 222 VAL N N 15 117.664 0.3 . 1 . . . . 222 VAL N . 17660 1 1031 . 1 1 223 223 ASP H H 1 6.969 0.020 . 1 . . . . 223 ASP H . 17660 1 1032 . 1 1 223 223 ASP C C 13 173.605 0.3 . 1 . . . . 223 ASP C . 17660 1 1033 . 1 1 223 223 ASP CA C 13 51.124 0.3 . 1 . . . . 223 ASP CA . 17660 1 1034 . 1 1 223 223 ASP CB C 13 38.020 0.3 . 1 . . . . 223 ASP CB . 17660 1 1035 . 1 1 223 223 ASP N N 15 116.998 0.3 . 1 . . . . 223 ASP N . 17660 1 1036 . 1 1 224 224 ALA H H 1 7.156 0.020 . 1 . . . . 224 ALA H . 17660 1 1037 . 1 1 224 224 ALA C C 13 175.105 0.3 . 1 . . . . 224 ALA C . 17660 1 1038 . 1 1 224 224 ALA CA C 13 49.922 0.3 . 1 . . . . 224 ALA CA . 17660 1 1039 . 1 1 224 224 ALA CB C 13 14.537 0.3 . 1 . . . . 224 ALA CB . 17660 1 1040 . 1 1 224 224 ALA N N 15 123.214 0.3 . 1 . . . . 224 ALA N . 17660 1 1041 . 1 1 225 225 ASP H H 1 9.128 0.020 . 1 . . . . 225 ASP H . 17660 1 1042 . 1 1 225 225 ASP C C 13 173.503 0.3 . 1 . . . . 225 ASP C . 17660 1 1043 . 1 1 225 225 ASP CA C 13 54.908 0.3 . 1 . . . . 225 ASP CA . 17660 1 1044 . 1 1 225 225 ASP CB C 13 38.546 0.3 . 1 . . . . 225 ASP CB . 17660 1 1045 . 1 1 225 225 ASP N N 15 122.749 0.3 . 1 . . . . 225 ASP N . 17660 1 1046 . 1 1 226 226 LYS H H 1 7.332 0.020 . 1 . . . . 226 LYS H . 17660 1 1047 . 1 1 226 226 LYS C C 13 169.344 0.3 . 1 . . . . 226 LYS C . 17660 1 1048 . 1 1 226 226 LYS CA C 13 53.706 0.3 . 1 . . . . 226 LYS CA . 17660 1 1049 . 1 1 226 226 LYS CB C 13 31.818 0.3 . 1 . . . . 226 LYS CB . 17660 1 1050 . 1 1 226 226 LYS N N 15 114.647 0.3 . 1 . . . . 226 LYS N . 17660 1 1051 . 1 1 227 227 ILE H H 1 8.389 0.020 . 1 . . . . 227 ILE H . 17660 1 1052 . 1 1 227 227 ILE C C 13 171.730 0.3 . 1 . . . . 227 ILE C . 17660 1 1053 . 1 1 227 227 ILE CA C 13 55.905 0.3 . 1 . . . . 227 ILE CA . 17660 1 1054 . 1 1 227 227 ILE N N 15 125.667 0.3 . 1 . . . . 227 ILE N . 17660 1 1055 . 1 1 228 228 TYR H H 1 8.826 0.020 . 1 . . . . 228 TYR H . 17660 1 1056 . 1 1 228 228 TYR C C 13 170.622 0.3 . 1 . . . . 228 TYR C . 17660 1 1057 . 1 1 228 228 TYR CA C 13 54.345 0.3 . 1 . . . . 228 TYR CA . 17660 1 1058 . 1 1 228 228 TYR CB C 13 40.418 0.3 . 1 . . . . 228 TYR CB . 17660 1 1059 . 1 1 228 228 TYR N N 15 123.597 0.3 . 1 . . . . 228 TYR N . 17660 1 1060 . 1 1 229 229 PHE H H 1 8.714 0.020 . 1 . . . . 229 PHE H . 17660 1 1061 . 1 1 229 229 PHE C C 13 170.980 0.3 . 1 . . . . 229 PHE C . 17660 1 1062 . 1 1 229 229 PHE CA C 13 53.297 0.3 . 1 . . . . 229 PHE CA . 17660 1 1063 . 1 1 229 229 PHE CB C 13 36.682 0.3 . 1 . . . . 229 PHE CB . 17660 1 1064 . 1 1 229 229 PHE N N 15 126.347 0.3 . 1 . . . . 229 PHE N . 17660 1 1065 . 1 1 230 230 ILE H H 1 8.286 0.020 . 1 . . . . 230 ILE H . 17660 1 1066 . 1 1 230 230 ILE C C 13 172.122 0.3 . 1 . . . . 230 ILE C . 17660 1 1067 . 1 1 230 230 ILE CA C 13 55.547 0.3 . 1 . . . . 230 ILE CA . 17660 1 1068 . 1 1 230 230 ILE CB C 13 36.607 0.3 . 1 . . . . 230 ILE CB . 17660 1 1069 . 1 1 230 230 ILE N N 15 127.938 0.3 . 1 . . . . 230 ILE N . 17660 1 1070 . 1 1 231 231 GLU H H 1 8.659 0.020 . 1 . . . . 231 GLU H . 17660 1 1071 . 1 1 231 231 GLU C C 13 173.571 0.3 . 1 . . . . 231 GLU C . 17660 1 1072 . 1 1 231 231 GLU CA C 13 51.789 0.3 . 1 . . . . 231 GLU CA . 17660 1 1073 . 1 1 231 231 GLU CB C 13 29.598 0.3 . 1 . . . . 231 GLU CB . 17660 1 1074 . 1 1 231 231 GLU N N 15 125.070 0.3 . 1 . . . . 231 GLU N . 17660 1 1075 . 1 1 232 232 LYS H H 1 9.566 0.020 . 1 . . . . 232 LYS H . 17660 1 1076 . 1 1 232 232 LYS C C 13 173.401 0.3 . 1 . . . . 232 LYS C . 17660 1 1077 . 1 1 232 232 LYS CA C 13 53.604 0.3 . 1 . . . . 232 LYS CA . 17660 1 1078 . 1 1 232 232 LYS CB C 13 26.989 0.3 . 1 . . . . 232 LYS CB . 17660 1 1079 . 1 1 232 232 LYS N N 15 125.181 0.3 . 1 . . . . 232 LYS N . 17660 1 1080 . 1 1 233 233 GLY H H 1 8.016 0.020 . 1 . . . . 233 GLY H . 17660 1 1081 . 1 1 233 233 GLY C C 13 169.599 0.3 . 1 . . . . 233 GLY C . 17660 1 1082 . 1 1 233 233 GLY CA C 13 44.119 0.3 . 1 . . . . 233 GLY CA . 17660 1 1083 . 1 1 233 233 GLY N N 15 105.624 0.3 . 1 . . . . 233 GLY N . 17660 1 1084 . 1 1 234 234 GLU H H 1 7.576 0.020 . 1 . . . . 234 GLU H . 17660 1 1085 . 1 1 234 234 GLU C C 13 173.077 0.3 . 1 . . . . 234 GLU C . 17660 1 1086 . 1 1 234 234 GLU CA C 13 50.592 0.3 . 1 . . . . 234 GLU CA . 17660 1 1087 . 1 1 234 234 GLU CB C 13 29.800 0.3 . 1 . . . . 234 GLU CB . 17660 1 1088 . 1 1 234 234 GLU N N 15 116.096 0.3 . 1 . . . . 234 GLU N . 17660 1 1089 . 1 1 235 235 ILE H H 1 8.837 0.020 . 1 . . . . 235 ILE H . 17660 1 1090 . 1 1 235 235 ILE C C 13 175.071 0.3 . 1 . . . . 235 ILE C . 17660 1 1091 . 1 1 235 235 ILE CA C 13 57.950 0.3 . 1 . . . . 235 ILE CA . 17660 1 1092 . 1 1 235 235 ILE CB C 13 34.072 0.3 . 1 . . . . 235 ILE CB . 17660 1 1093 . 1 1 235 235 ILE N N 15 122.692 0.3 . 1 . . . . 235 ILE N . 17660 1 1094 . 1 1 236 236 THR H H 1 8.999 0.020 . 1 . . . . 236 THR H . 17660 1 1095 . 1 1 236 236 THR C C 13 173.230 0.3 . 1 . . . . 236 THR C . 17660 1 1096 . 1 1 236 236 THR CA C 13 58.189 0.3 . 1 . . . . 236 THR CA . 17660 1 1097 . 1 1 236 236 THR CB C 13 65.687 0.3 . 1 . . . . 236 THR CB . 17660 1 1098 . 1 1 236 236 THR N N 15 120.770 0.3 . 1 . . . . 236 THR N . 17660 1 1099 . 1 1 237 237 GLY H H 1 7.715 0.020 . 1 . . . . 237 GLY H . 17660 1 1100 . 1 1 237 237 GLY C C 13 167.401 0.3 . 1 . . . . 237 GLY C . 17660 1 1101 . 1 1 237 237 GLY CA C 13 42.841 0.3 . 1 . . . . 237 GLY CA . 17660 1 1102 . 1 1 237 237 GLY N N 15 109.349 0.3 . 1 . . . . 237 GLY N . 17660 1 1103 . 1 1 238 238 SER H H 1 8.356 0.020 . 1 . . . . 238 SER H . 17660 1 1104 . 1 1 238 238 SER C C 13 170.349 0.3 . 1 . . . . 238 SER C . 17660 1 1105 . 1 1 238 238 SER CA C 13 53.629 0.3 . 1 . . . . 238 SER CA . 17660 1 1106 . 1 1 238 238 SER CB C 13 63.575 0.3 . 1 . . . . 238 SER CB . 17660 1 1107 . 1 1 238 238 SER N N 15 114.963 0.3 . 1 . . . . 238 SER N . 17660 1 1108 . 1 1 239 239 GLY H H 1 8.116 0.020 . 1 . . . . 239 GLY H . 17660 1 1109 . 1 1 239 239 GLY C C 13 169.548 0.3 . 1 . . . . 239 GLY C . 17660 1 1110 . 1 1 239 239 GLY CA C 13 41.232 0.3 . 1 . . . . 239 GLY CA . 17660 1 1111 . 1 1 239 239 GLY N N 15 107.255 0.3 . 1 . . . . 239 GLY N . 17660 1 1112 . 1 1 240 240 LYS H H 1 8.573 0.020 . 1 . . . . 240 LYS H . 17660 1 1113 . 1 1 240 240 LYS C C 13 175.054 0.3 . 1 . . . . 240 LYS C . 17660 1 1114 . 1 1 240 240 LYS CA C 13 52.778 0.3 . 1 . . . . 240 LYS CA . 17660 1 1115 . 1 1 240 240 LYS CB C 13 29.822 0.3 . 1 . . . . 240 LYS CB . 17660 1 1116 . 1 1 240 240 LYS N N 15 120.531 0.3 . 1 . . . . 240 LYS N . 17660 1 1117 . 1 1 241 241 HIS H H 1 8.860 0.020 . 1 . . . . 241 HIS H . 17660 1 1118 . 1 1 241 241 HIS C C 13 173.435 0.3 . 1 . . . . 241 HIS C . 17660 1 1119 . 1 1 241 241 HIS CA C 13 58.180 0.3 . 1 . . . . 241 HIS CA . 17660 1 1120 . 1 1 241 241 HIS CB C 13 28.182 0.3 . 1 . . . . 241 HIS CB . 17660 1 1121 . 1 1 241 241 HIS N N 15 123.153 0.3 . 1 . . . . 241 HIS N . 17660 1 1122 . 1 1 242 242 ASN H H 1 8.587 0.020 . 1 . . . . 242 ASN H . 17660 1 1123 . 1 1 242 242 ASN C C 13 174.781 0.3 . 1 . . . . 242 ASN C . 17660 1 1124 . 1 1 242 242 ASN CA C 13 53.041 0.3 . 1 . . . . 242 ASN CA . 17660 1 1125 . 1 1 242 242 ASN CB C 13 33.985 0.3 . 1 . . . . 242 ASN CB . 17660 1 1126 . 1 1 242 242 ASN N N 15 112.329 0.3 . 1 . . . . 242 ASN N . 17660 1 1127 . 1 1 243 243 GLU H H 1 6.972 0.020 . 1 . . . . 243 GLU H . 17660 1 1128 . 1 1 243 243 GLU C C 13 175.923 0.3 . 1 . . . . 243 GLU C . 17660 1 1129 . 1 1 243 243 GLU CA C 13 54.908 0.3 . 1 . . . . 243 GLU CA . 17660 1 1130 . 1 1 243 243 GLU CB C 13 26.168 0.3 . 1 . . . . 243 GLU CB . 17660 1 1131 . 1 1 243 243 GLU N N 15 119.152 0.3 . 1 . . . . 243 GLU N . 17660 1 1132 . 1 1 244 244 LEU H H 1 7.875 0.020 . 1 . . . . 244 LEU H . 17660 1 1133 . 1 1 244 244 LEU C C 13 176.366 0.3 . 1 . . . . 244 LEU C . 17660 1 1134 . 1 1 244 244 LEU CA C 13 54.217 0.3 . 1 . . . . 244 LEU CA . 17660 1 1135 . 1 1 244 244 LEU CB C 13 38.393 0.3 . 1 . . . . 244 LEU CB . 17660 1 1136 . 1 1 244 244 LEU N N 15 122.441 0.3 . 1 . . . . 244 LEU N . 17660 1 1137 . 1 1 245 245 VAL H H 1 8.307 0.020 . 1 . . . . 245 VAL H . 17660 1 1138 . 1 1 245 245 VAL C C 13 173.929 0.3 . 1 . . . . 245 VAL C . 17660 1 1139 . 1 1 245 245 VAL CA C 13 62.858 0.3 . 1 . . . . 245 VAL CA . 17660 1 1140 . 1 1 245 245 VAL CB C 13 27.783 0.3 . 1 . . . . 245 VAL CB . 17660 1 1141 . 1 1 245 245 VAL N N 15 117.022 0.3 . 1 . . . . 245 VAL N . 17660 1 1142 . 1 1 246 246 ALA H H 1 6.750 0.020 . 1 . . . . 246 ALA H . 17660 1 1143 . 1 1 246 246 ALA C C 13 176.707 0.3 . 1 . . . . 246 ALA C . 17660 1 1144 . 1 1 246 246 ALA CA C 13 50.148 0.3 . 1 . . . . 246 ALA CA . 17660 1 1145 . 1 1 246 246 ALA CB C 13 16.126 0.3 . 1 . . . . 246 ALA CB . 17660 1 1146 . 1 1 246 246 ALA N N 15 118.630 0.3 . 1 . . . . 246 ALA N . 17660 1 1147 . 1 1 247 247 THR H H 1 7.410 0.020 . 1 . . . . 247 THR H . 17660 1 1148 . 1 1 247 247 THR C C 13 171.611 0.3 . 1 . . . . 247 THR C . 17660 1 1149 . 1 1 247 247 THR CA C 13 58.972 0.3 . 1 . . . . 247 THR CA . 17660 1 1150 . 1 1 247 247 THR CB C 13 68.656 0.3 . 1 . . . . 247 THR CB . 17660 1 1151 . 1 1 247 247 THR N N 15 105.456 0.3 . 1 . . . . 247 THR N . 17660 1 1152 . 1 1 248 248 HIS H H 1 8.424 0.020 . 1 . . . . 248 HIS H . 17660 1 1153 . 1 1 248 248 HIS CA C 13 51.226 0.3 . 1 . . . . 248 HIS CA . 17660 1 1154 . 1 1 248 248 HIS CB C 13 28.927 0.3 . 1 . . . . 248 HIS CB . 17660 1 1155 . 1 1 248 248 HIS N N 15 127.185 0.3 . 1 . . . . 248 HIS N . 17660 1 1156 . 1 1 250 250 LEU C C 13 176.743 0.3 . 1 . . . . 250 LEU C . 17660 1 1157 . 1 1 250 250 LEU CA C 13 54.009 0.3 . 1 . . . . 250 LEU CA . 17660 1 1158 . 1 1 251 251 TYR H H 1 9.070 0.020 . 1 . . . . 251 TYR H . 17660 1 1159 . 1 1 251 251 TYR C C 13 173.759 0.3 . 1 . . . . 251 TYR C . 17660 1 1160 . 1 1 251 251 TYR CA C 13 58.473 0.3 . 1 . . . . 251 TYR CA . 17660 1 1161 . 1 1 251 251 TYR N N 15 126.981 0.3 . 1 . . . . 251 TYR N . 17660 1 1162 . 1 1 252 252 ALA H H 1 8.244 0.020 . 1 . . . . 252 ALA H . 17660 1 1163 . 1 1 252 252 ALA C C 13 177.866 0.3 . 1 . . . . 252 ALA C . 17660 1 1164 . 1 1 252 252 ALA CA C 13 52.300 0.3 . 1 . . . . 252 ALA CA . 17660 1 1165 . 1 1 252 252 ALA CB C 13 14.108 0.3 . 1 . . . . 252 ALA CB . 17660 1 1166 . 1 1 252 252 ALA N N 15 120.275 0.3 . 1 . . . . 252 ALA N . 17660 1 1167 . 1 1 253 253 LYS H H 1 7.693 0.020 . 1 . . . . 253 LYS H . 17660 1 1168 . 1 1 253 253 LYS C C 13 174.713 0.3 . 1 . . . . 253 LYS C . 17660 1 1169 . 1 1 253 253 LYS CA C 13 56.032 0.3 . 1 . . . . 253 LYS CA . 17660 1 1170 . 1 1 253 253 LYS CB C 13 29.203 0.3 . 1 . . . . 253 LYS CB . 17660 1 1171 . 1 1 253 253 LYS N N 15 119.287 0.3 . 1 . . . . 253 LYS N . 17660 1 1172 . 1 1 254 254 TYR H H 1 7.968 0.020 . 1 . . . . 254 TYR H . 17660 1 1173 . 1 1 254 254 TYR C C 13 175.344 0.3 . 1 . . . . 254 TYR C . 17660 1 1174 . 1 1 254 254 TYR CA C 13 58.819 0.3 . 1 . . . . 254 TYR CA . 17660 1 1175 . 1 1 254 254 TYR CB C 13 34.807 0.3 . 1 . . . . 254 TYR CB . 17660 1 1176 . 1 1 254 254 TYR N N 15 122.163 0.3 . 1 . . . . 254 TYR N . 17660 1 1177 . 1 1 255 255 VAL H H 1 8.421 0.020 . 1 . . . . 255 VAL H . 17660 1 1178 . 1 1 255 255 VAL C C 13 175.412 0.3 . 1 . . . . 255 VAL C . 17660 1 1179 . 1 1 255 255 VAL CA C 13 62.616 0.3 . 1 . . . . 255 VAL CA . 17660 1 1180 . 1 1 255 255 VAL CB C 13 27.633 0.3 . 1 . . . . 255 VAL CB . 17660 1 1181 . 1 1 255 255 VAL N N 15 117.891 0.3 . 1 . . . . 255 VAL N . 17660 1 1182 . 1 1 256 256 SER H H 1 7.500 0.020 . 1 . . . . 256 SER H . 17660 1 1183 . 1 1 256 256 SER C C 13 173.128 0.3 . 1 . . . . 256 SER C . 17660 1 1184 . 1 1 256 256 SER CA C 13 57.745 0.3 . 1 . . . . 256 SER CA . 17660 1 1185 . 1 1 256 256 SER N N 15 113.437 0.3 . 1 . . . . 256 SER N . 17660 1 1186 . 1 1 257 257 GLU H H 1 7.995 0.020 . 1 . . . . 257 GLU H . 17660 1 1187 . 1 1 257 257 GLU C C 13 175.327 0.3 . 1 . . . . 257 GLU C . 17660 1 1188 . 1 1 257 257 GLU CA C 13 54.657 0.3 . 1 . . . . 257 GLU CA . 17660 1 1189 . 1 1 257 257 GLU CB C 13 27.633 0.3 . 1 . . . . 257 GLU CB . 17660 1 1190 . 1 1 257 257 GLU N N 15 117.704 0.3 . 1 . . . . 257 GLU N . 17660 1 1191 . 1 1 258 258 GLN H H 1 8.034 0.020 . 1 . . . . 258 GLN H . 17660 1 1192 . 1 1 258 258 GLN C C 13 173.912 0.3 . 1 . . . . 258 GLN C . 17660 1 1193 . 1 1 258 258 GLN CA C 13 53.092 0.3 . 1 . . . . 258 GLN CA . 17660 1 1194 . 1 1 258 258 GLN CB C 13 25.989 0.3 . 1 . . . . 258 GLN CB . 17660 1 1195 . 1 1 258 258 GLN N N 15 114.848 0.3 . 1 . . . . 258 GLN N . 17660 1 1196 . 1 1 259 259 LEU H H 1 7.158 0.020 . 1 . . . . 259 LEU H . 17660 1 1197 . 1 1 259 259 LEU C C 13 174.440 0.3 . 1 . . . . 259 LEU C . 17660 1 1198 . 1 1 259 259 LEU CA C 13 51.942 0.3 . 1 . . . . 259 LEU CA . 17660 1 1199 . 1 1 259 259 LEU CB C 13 38.543 0.3 . 1 . . . . 259 LEU CB . 17660 1 1200 . 1 1 259 259 LEU N N 15 118.342 0.3 . 1 . . . . 259 LEU N . 17660 1 1201 . 1 1 260 260 THR H H 1 7.759 0.020 . 1 . . . . 260 THR H . 17660 1 1202 . 1 1 260 260 THR C C 13 171.884 0.3 . 1 . . . . 260 THR C . 17660 1 1203 . 1 1 260 260 THR CA C 13 59.024 0.3 . 1 . . . . 260 THR CA . 17660 1 1204 . 1 1 260 260 THR CB C 13 66.564 0.3 . 1 . . . . 260 THR CB . 17660 1 1205 . 1 1 260 260 THR N N 15 112.986 0.3 . 1 . . . . 260 THR N . 17660 1 1206 . 1 1 261 261 VAL H H 1 7.940 0.020 . 1 . . . . 261 VAL H . 17660 1 1207 . 1 1 261 261 VAL C C 13 173.776 0.3 . 1 . . . . 261 VAL C . 17660 1 1208 . 1 1 261 261 VAL CA C 13 59.151 0.3 . 1 . . . . 261 VAL CA . 17660 1 1209 . 1 1 261 261 VAL CB C 13 29.053 0.3 . 1 . . . . 261 VAL CB . 17660 1 1210 . 1 1 261 261 VAL N N 15 122.387 0.3 . 1 . . . . 261 VAL N . 17660 1 1211 . 1 1 262 262 GLY H H 1 8.290 0.020 . 1 . . . . 262 GLY H . 17660 1 1212 . 1 1 262 262 GLY C C 13 170.537 0.3 . 1 . . . . 262 GLY C . 17660 1 1213 . 1 1 262 262 GLY CA C 13 42.202 0.3 . 1 . . . . 262 GLY CA . 17660 1 1214 . 1 1 262 262 GLY N N 15 112.880 0.3 . 1 . . . . 262 GLY N . 17660 1 1215 . 1 1 263 263 GLN H H 1 7.763 0.020 . 1 . . . . 263 GLN H . 17660 1 1216 . 1 1 263 263 GLN CA C 13 53.962 0.3 . 1 . . . . 263 GLN CA . 17660 1 1217 . 1 1 263 263 GLN CB C 13 26.914 0.3 . 1 . . . . 263 GLN CB . 17660 1 1218 . 1 1 263 263 GLN N N 15 125.109 0.3 . 1 . . . . 263 GLN N . 17660 1 stop_ save_