data_26660 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26660 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for SRC in the lactose-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-16 _Entry.Accession_date 2015-09-16 _Entry.Last_release_date 2015-09-16 _Entry.Original_release_date 2015-09-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Hikaru Hemmi . . . . 26660 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26660 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 555 26660 '15N chemical shifts' 141 26660 '1H chemical shifts' 901 26660 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-03-03 . original BMRB . 26660 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26659 src 26660 BMRB 26661 src-6'-sialyllactose 26660 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26660 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/1873-3468.12212 _Citation.PubMed_ID 27172906 _Citation.Full_citation . _Citation.Title ; NMR analysis on the sialic acid-binding mechanism of an R-type lectin mutant by natural evolution-mimicry ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 590 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-3468 _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 1720 _Citation.Page_last 1728 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hikaru Hemmi H. . . . 26660 1 2 Atsushi Kuno A. . . . 26660 1 3 Sachiko Unno S. . . . 26660 1 4 Jun Hirabayashi J. . . . 26660 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26660 _Assembly.ID 1 _Assembly.Name src-lactose _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 src 1 $src A . yes native no no . . . 26660 1 2 lactose 2 $entity_LAT B . no native no no . . . 26660 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_src _Entity.Sf_category entity _Entity.Sf_framecode src _Entity.Entry_ID 26660 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name src _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 ; PKFFYIKSELNGKVLDIGGQ NPAPGSKIITWDQKKGPTAV NQLWYTDQQGVIRSKLNDFA IDASHEQIETQPFDPNNPKR AWIVSGNTIAQLSDRDNVLG VIKSDKGASAHICAWKQHGG PNQKFIIESE ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 131 PRO . 26660 1 2 132 LYS . 26660 1 3 133 PHE . 26660 1 4 134 PHE . 26660 1 5 135 TYR . 26660 1 6 136 ILE . 26660 1 7 137 LYS . 26660 1 8 138 SER . 26660 1 9 139 GLU . 26660 1 10 140 LEU . 26660 1 11 141 ASN . 26660 1 12 142 GLY . 26660 1 13 143 LYS . 26660 1 14 144 VAL . 26660 1 15 145 LEU . 26660 1 16 146 ASP . 26660 1 17 147 ILE . 26660 1 18 148 GLY . 26660 1 19 149 GLY . 26660 1 20 150 GLN . 26660 1 21 151 ASN . 26660 1 22 152 PRO . 26660 1 23 153 ALA . 26660 1 24 154 PRO . 26660 1 25 155 GLY . 26660 1 26 156 SER . 26660 1 27 157 LYS . 26660 1 28 158 ILE . 26660 1 29 159 ILE . 26660 1 30 160 THR . 26660 1 31 161 TRP . 26660 1 32 162 ASP . 26660 1 33 163 GLN . 26660 1 34 164 LYS . 26660 1 35 165 LYS . 26660 1 36 166 GLY . 26660 1 37 167 PRO . 26660 1 38 168 THR . 26660 1 39 169 ALA . 26660 1 40 170 VAL . 26660 1 41 171 ASN . 26660 1 42 172 GLN . 26660 1 43 173 LEU . 26660 1 44 174 TRP . 26660 1 45 175 TYR . 26660 1 46 176 THR . 26660 1 47 177 ASP . 26660 1 48 178 GLN . 26660 1 49 179 GLN . 26660 1 50 180 GLY . 26660 1 51 181 VAL . 26660 1 52 182 ILE . 26660 1 53 183 ARG . 26660 1 54 184 SER . 26660 1 55 185 LYS . 26660 1 56 186 LEU . 26660 1 57 187 ASN . 26660 1 58 188 ASP . 26660 1 59 189 PHE . 26660 1 60 190 ALA . 26660 1 61 191 ILE . 26660 1 62 192 ASP . 26660 1 63 193 ALA . 26660 1 64 194 SER . 26660 1 65 195 HIS . 26660 1 66 196 GLU . 26660 1 67 197 GLN . 26660 1 68 198 ILE . 26660 1 69 199 GLU . 26660 1 70 200 THR . 26660 1 71 201 GLN . 26660 1 72 202 PRO . 26660 1 73 203 PHE . 26660 1 74 204 ASP . 26660 1 75 205 PRO . 26660 1 76 206 ASN . 26660 1 77 207 ASN . 26660 1 78 208 PRO . 26660 1 79 209 LYS . 26660 1 80 210 ARG . 26660 1 81 211 ALA . 26660 1 82 212 TRP . 26660 1 83 213 ILE . 26660 1 84 214 VAL . 26660 1 85 215 SER . 26660 1 86 216 GLY . 26660 1 87 217 ASN . 26660 1 88 218 THR . 26660 1 89 219 ILE . 26660 1 90 220 ALA . 26660 1 91 221 GLN . 26660 1 92 222 LEU . 26660 1 93 223 SER . 26660 1 94 224 ASP . 26660 1 95 225 ARG . 26660 1 96 226 ASP . 26660 1 97 227 ASN . 26660 1 98 228 VAL . 26660 1 99 229 LEU . 26660 1 100 230 GLY . 26660 1 101 231 VAL . 26660 1 102 232 ILE . 26660 1 103 233 LYS . 26660 1 104 234 SER . 26660 1 105 235 ASP . 26660 1 106 236 LYS . 26660 1 107 237 GLY . 26660 1 108 238 ALA . 26660 1 109 239 SER . 26660 1 110 240 ALA . 26660 1 111 241 HIS . 26660 1 112 242 ILE . 26660 1 113 243 CYS . 26660 1 114 244 ALA . 26660 1 115 245 TRP . 26660 1 116 246 LYS . 26660 1 117 247 GLN . 26660 1 118 248 HIS . 26660 1 119 249 GLY . 26660 1 120 250 GLY . 26660 1 121 251 PRO . 26660 1 122 252 ASN . 26660 1 123 253 GLN . 26660 1 124 254 LYS . 26660 1 125 255 PHE . 26660 1 126 256 ILE . 26660 1 127 257 ILE . 26660 1 128 258 GLU . 26660 1 129 259 SER . 26660 1 130 260 GLU . 26660 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 . PRO 1 1 26660 1 . LYS 2 2 26660 1 . PHE 3 3 26660 1 . PHE 4 4 26660 1 . TYR 5 5 26660 1 . ILE 6 6 26660 1 . LYS 7 7 26660 1 . SER 8 8 26660 1 . GLU 9 9 26660 1 . LEU 10 10 26660 1 . ASN 11 11 26660 1 . GLY 12 12 26660 1 . LYS 13 13 26660 1 . VAL 14 14 26660 1 . LEU 15 15 26660 1 . ASP 16 16 26660 1 . ILE 17 17 26660 1 . GLY 18 18 26660 1 . GLY 19 19 26660 1 . GLN 20 20 26660 1 . ASN 21 21 26660 1 . PRO 22 22 26660 1 . ALA 23 23 26660 1 . PRO 24 24 26660 1 . GLY 25 25 26660 1 . SER 26 26 26660 1 . LYS 27 27 26660 1 . ILE 28 28 26660 1 . ILE 29 29 26660 1 . THR 30 30 26660 1 . TRP 31 31 26660 1 . ASP 32 32 26660 1 . GLN 33 33 26660 1 . LYS 34 34 26660 1 . LYS 35 35 26660 1 . GLY 36 36 26660 1 . PRO 37 37 26660 1 . THR 38 38 26660 1 . ALA 39 39 26660 1 . VAL 40 40 26660 1 . ASN 41 41 26660 1 . GLN 42 42 26660 1 . LEU 43 43 26660 1 . TRP 44 44 26660 1 . TYR 45 45 26660 1 . THR 46 46 26660 1 . ASP 47 47 26660 1 . GLN 48 48 26660 1 . GLN 49 49 26660 1 . GLY 50 50 26660 1 . VAL 51 51 26660 1 . ILE 52 52 26660 1 . ARG 53 53 26660 1 . SER 54 54 26660 1 . LYS 55 55 26660 1 . LEU 56 56 26660 1 . ASN 57 57 26660 1 . ASP 58 58 26660 1 . PHE 59 59 26660 1 . ALA 60 60 26660 1 . ILE 61 61 26660 1 . ASP 62 62 26660 1 . ALA 63 63 26660 1 . SER 64 64 26660 1 . HIS 65 65 26660 1 . GLU 66 66 26660 1 . GLN 67 67 26660 1 . ILE 68 68 26660 1 . GLU 69 69 26660 1 . THR 70 70 26660 1 . GLN 71 71 26660 1 . PRO 72 72 26660 1 . PHE 73 73 26660 1 . ASP 74 74 26660 1 . PRO 75 75 26660 1 . ASN 76 76 26660 1 . ASN 77 77 26660 1 . PRO 78 78 26660 1 . LYS 79 79 26660 1 . ARG 80 80 26660 1 . ALA 81 81 26660 1 . TRP 82 82 26660 1 . ILE 83 83 26660 1 . VAL 84 84 26660 1 . SER 85 85 26660 1 . GLY 86 86 26660 1 . ASN 87 87 26660 1 . THR 88 88 26660 1 . ILE 89 89 26660 1 . ALA 90 90 26660 1 . GLN 91 91 26660 1 . LEU 92 92 26660 1 . SER 93 93 26660 1 . ASP 94 94 26660 1 . ARG 95 95 26660 1 . ASP 96 96 26660 1 . ASN 97 97 26660 1 . VAL 98 98 26660 1 . LEU 99 99 26660 1 . GLY 100 100 26660 1 . VAL 101 101 26660 1 . ILE 102 102 26660 1 . LYS 103 103 26660 1 . SER 104 104 26660 1 . ASP 105 105 26660 1 . LYS 106 106 26660 1 . GLY 107 107 26660 1 . ALA 108 108 26660 1 . SER 109 109 26660 1 . ALA 110 110 26660 1 . HIS 111 111 26660 1 . ILE 112 112 26660 1 . CYS 113 113 26660 1 . ALA 114 114 26660 1 . TRP 115 115 26660 1 . LYS 116 116 26660 1 . GLN 117 117 26660 1 . HIS 118 118 26660 1 . GLY 119 119 26660 1 . GLY 120 120 26660 1 . PRO 121 121 26660 1 . ASN 122 122 26660 1 . GLN 123 123 26660 1 . LYS 124 124 26660 1 . PHE 125 125 26660 1 . ILE 126 126 26660 1 . ILE 127 127 26660 1 . GLU 128 128 26660 1 . SER 129 129 26660 1 . GLU 130 130 26660 1 stop_ save_ save_entity_LAT _Entity.Sf_category entity _Entity.Sf_framecode entity_LAT _Entity.Entry_ID 26660 _Entity.ID 2 _Entity.BMRB_code LAT _Entity.Name BETA-LACTOSE _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID LAT _Entity.Nonpolymer_comp_label $chem_comp_LAT _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 342.296 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BETA-LACTOSE BMRB 26660 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID BETA-LACTOSE BMRB 26660 2 LAT 'Three letter code' 26660 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 LAT $chem_comp_LAT 26660 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 26660 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $src . 6398 organism . 'Lumbricus terrestris' earthworm . . Eukaryota Metazoa Lumbricus terrestris . . . . . . . . . . . . . 26660 1 2 2 $entity_LAT . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 26660 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 26660 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $src . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-27b . . . 26660 1 2 2 $entity_LAT . 'chemical synthesis' . . . . . . . . . . . . . . . . 26660 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_LAT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_LAT _Chem_comp.Entry_ID 26660 _Chem_comp.ID LAT _Chem_comp.Provenance PDB _Chem_comp.Name BETA-LACTOSE _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code LAT _Chem_comp.PDB_code LAT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code LAT _Chem_comp.Number_atoms_all 45 _Chem_comp.Number_atoms_nh 23 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 ; _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 . _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 no _Chem_comp.Formula 'C12 H22 O11' _Chem_comp.Formula_weight 342.296 _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 1DLL _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 26660 LAT C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26660 LAT GUBGYTABKSRVRQ-DCSYEGIMSA-N InChIKey InChI 1.03 26660 LAT ; InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 ; InChI InChI 1.03 26660 LAT O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO SMILES ACDLabs 10.04 26660 LAT OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O SMILES_CANONICAL CACTVS 3.341 26660 LAT OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.341 26660 LAT 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,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26660 LAT 4-O-beta-D-galactopyranosyl-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 26660 LAT 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 C1 C1 C1 C1 . C . . S 0 . . . 1 no no . . . . 24.303 . 15.400 . 77.362 . -0.482 0.116 -1.129 1 . 26660 LAT C2 C2 C2 C2 . C . . R 0 . . . 1 no no . . . . 24.409 . 14.955 . 75.927 . -1.232 0.711 -2.323 2 . 26660 LAT C3 C3 C3 C3 . C . . S 0 . . . 1 no no . . . . 23.175 . 15.384 . 75.136 . -1.045 -0.205 -3.537 3 . 26660 LAT C4 C4 C4 C4 . C . . R 0 . . . 1 no no . . . . 21.957 . 14.835 . 75.867 . 0.455 -0.428 -3.754 4 . 26660 LAT C5 C5 C5 C5 . C . . R 0 . . . 1 no no . . . . 21.929 . 15.374 . 77.289 . 1.077 -0.938 -2.452 5 . 26660 LAT C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 20.745 . 14.816 . 78.048 . 2.569 -1.198 -2.669 6 . 26660 LAT O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 25.347 . 14.809 . 78.097 . -0.677 0.949 0.015 7 . 26660 LAT O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 25.601 . 15.386 . 75.280 . -2.623 0.816 -2.010 8 . 26660 LAT O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 23.272 . 14.957 . 73.786 . -1.614 0.410 -4.694 9 . 26660 LAT O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 22.027 . 13.423 . 75.959 . 1.072 0.804 -4.133 10 . 26660 LAT O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 23.113 . 14.938 . 77.987 . 0.910 0.036 -1.424 11 . 26660 LAT O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 20.907 . 15.096 . 79.425 . 3.150 -1.677 -1.455 12 . 26660 LAT C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 27.195 . 15.055 . 81.755 . 0.011 0.041 3.973 13 . 26660 LAT C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 25.680 . 15.187 . 81.860 . 1.274 0.323 3.156 14 . 26660 LAT C3' C3' C3' C3' . C . . R 0 . . . 1 no no . . . . 25.055 . 14.764 . 80.516 . 0.882 1.047 1.863 15 . 26660 LAT C4' C4' C4' C4' . C . . S 0 . . . 1 no no . . . . 25.709 . 15.482 . 79.329 . -0.190 0.221 1.144 16 . 26660 LAT C5' C5' C5' C5' . C . . R 0 . . . 1 no no . . . . 27.233 . 15.429 . 79.387 . -1.342 -0.054 2.112 17 . 26660 LAT C6' C6' C6' C6' . C . . N 0 . . . 1 no no . . . . 27.890 . 16.349 . 78.374 . -2.432 -0.852 1.394 18 . 26660 LAT O1' O1' O1' O1' . O . . N 0 . . . 1 no yes . . . . 27.785 . 15.504 . 82.930 . 0.370 -0.607 5.194 19 . 26660 LAT O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 25.147 . 14.351 . 82.853 . 2.163 1.145 3.914 20 . 26660 LAT O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 23.661 . 14.972 . 80.608 . 2.027 1.185 1.020 21 . 26660 LAT O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 27.668 . 15.866 . 80.680 . -0.866 -0.801 3.230 22 . 26660 LAT O6' O6' O6' O6' . O . . N 0 . . . 1 no no . . . . 28.766 . 15.614 . 77.533 . -3.512 -1.102 2.295 23 . 26660 LAT H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 24.329 . 16.514 . 77.351 . -0.867 -0.881 -0.920 24 . 26660 LAT H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 24.460 . 13.841 . 75.952 . -0.834 1.700 -2.548 25 . 26660 LAT H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 23.084 . 16.494 . 75.081 . -1.535 -1.161 -3.353 26 . 26660 LAT H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 21.048 . 15.143 . 75.298 . 0.604 -1.167 -4.542 27 . 26660 LAT H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 21.867 . 16.485 . 77.233 . 0.587 -1.865 -2.156 28 . 26660 LAT H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 19.772 . 15.188 . 77.650 . 3.060 -0.271 -2.966 29 . 26660 LAT H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 20.588 . 13.729 . 77.851 . 2.698 -1.944 -3.453 30 . 26660 LAT HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 25.667 . 15.105 . 74.374 . -2.693 1.394 -1.239 31 . 26660 LAT HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no no . . . . 22.504 . 15.223 . 73.294 . -2.553 0.542 -4.507 32 . 26660 LAT HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 no no . . . . 21.267 . 13.080 . 76.415 . 0.646 1.089 -4.952 33 . 26660 LAT HO6 HO6 HO6 HO6 . H . . N 0 . . . 1 no no . . . . 20.163 . 14.745 . 79.901 . 4.089 -1.828 -1.635 34 . 26660 LAT H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 27.455 . 13.985 . 81.578 . -0.492 0.981 4.197 35 . 26660 LAT H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 25.449 . 16.246 . 82.118 . 1.767 -0.617 2.911 36 . 26660 LAT H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 25.243 . 13.683 . 80.317 . 0.484 2.033 2.103 37 . 26660 LAT H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 25.356 . 16.539 . 79.370 . 0.239 -0.723 0.810 38 . 26660 LAT H5' H5' H5' H5' . H . . N 0 . . . 1 no no . . . . 27.525 . 14.375 . 79.167 . -1.756 0.892 2.459 39 . 26660 LAT H6'1 H6'1 H6'1 1H6' . H . . N 0 . . . 0 no no . . . . 27.137 . 16.925 . 77.787 . -2.797 -0.282 0.539 40 . 26660 LAT H6'2 H6'2 H6'2 2H6' . H . . N 0 . . . 0 no no . . . . 28.407 . 17.205 . 78.865 . -2.020 -1.800 1.048 41 . 26660 LAT HO1' HO1' HO1' "'HO1" . H . . N 0 . . . 0 no no . . . . 28.729 . 15.421 . 82.864 . -0.450 -0.766 5.678 42 . 26660 LAT HO2' HO2' HO2' "'HO2" . H . . N 0 . . . 0 no no . . . . 24.202 . 14.433 . 82.918 . 2.384 0.653 4.716 43 . 26660 LAT HO3' HO3' HO3' "'HO3" . H . . N 0 . . . 0 no no . . . . 23.275 . 14.711 . 79.779 . 2.674 1.710 1.510 44 . 26660 LAT HO6' HO6' HO6' "'HO6" . H . . N 0 . . . 0 no no . . . . 29.177 . 16.189 . 76.899 . -4.176 -1.606 1.804 45 . 26660 LAT 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 . SING C1 C2 no N 1 . 26660 LAT 2 . SING C1 O1 no N 2 . 26660 LAT 3 . SING C1 O5 no N 3 . 26660 LAT 4 . SING C1 H1 no N 4 . 26660 LAT 5 . SING C2 C3 no N 5 . 26660 LAT 6 . SING C2 O2 no N 6 . 26660 LAT 7 . SING C2 H2 no N 7 . 26660 LAT 8 . SING C3 C4 no N 8 . 26660 LAT 9 . SING C3 O3 no N 9 . 26660 LAT 10 . SING C3 H3 no N 10 . 26660 LAT 11 . SING C4 C5 no N 11 . 26660 LAT 12 . SING C4 O4 no N 12 . 26660 LAT 13 . SING C4 H4 no N 13 . 26660 LAT 14 . SING C5 C6 no N 14 . 26660 LAT 15 . SING C5 O5 no N 15 . 26660 LAT 16 . SING C5 H5 no N 16 . 26660 LAT 17 . SING C6 O6 no N 17 . 26660 LAT 18 . SING C6 H61 no N 18 . 26660 LAT 19 . SING C6 H62 no N 19 . 26660 LAT 20 . SING O1 C4' no N 20 . 26660 LAT 21 . SING O2 HO2 no N 21 . 26660 LAT 22 . SING O3 HO3 no N 22 . 26660 LAT 23 . SING O4 HO4 no N 23 . 26660 LAT 24 . SING O6 HO6 no N 24 . 26660 LAT 25 . SING C1' C2' no N 25 . 26660 LAT 26 . SING C1' O1' no N 26 . 26660 LAT 27 . SING C1' O5' no N 27 . 26660 LAT 28 . SING C1' H1' no N 28 . 26660 LAT 29 . SING C2' C3' no N 29 . 26660 LAT 30 . SING C2' O2' no N 30 . 26660 LAT 31 . SING C2' H2' no N 31 . 26660 LAT 32 . SING C3' C4' no N 32 . 26660 LAT 33 . SING C3' O3' no N 33 . 26660 LAT 34 . SING C3' H3' no N 34 . 26660 LAT 35 . SING C4' C5' no N 35 . 26660 LAT 36 . SING C4' H4' no N 36 . 26660 LAT 37 . SING C5' C6' no N 37 . 26660 LAT 38 . SING C5' O5' no N 38 . 26660 LAT 39 . SING C5' H5' no N 39 . 26660 LAT 40 . SING C6' O6' no N 40 . 26660 LAT 41 . SING C6' H6'1 no N 41 . 26660 LAT 42 . SING C6' H6'2 no N 42 . 26660 LAT 43 . SING O1' HO1' no N 43 . 26660 LAT 44 . SING O2' HO2' no N 44 . 26660 LAT 45 . SING O3' HO3' no N 45 . 26660 LAT 46 . SING O6' HO6' no N 46 . 26660 LAT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26660 _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 src '[U-95% 13C; U-95% 15N]' . . 1 $src . . 0.9 . . mM . . . . 26660 1 2 lactose 'natural abundance' . . 2 $entity_LAT . . 72 . . mM . . . . 26660 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26660 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26660 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26660 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 26660 1 pressure 1 . atm 26660 1 temperature 288 . K 26660 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 26660 _Software.ID 1 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 26660 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26660 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26660 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26660 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26660 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26660 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26660 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26660 3 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 26660 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26660 _NMR_spectrometer.ID 2 _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 26660 _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 DRX . 600 . . . 26660 1 2 spectrometer_2 Bruker Avance . 800 . . . 26660 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 26660 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26660 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 26660 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26660 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 26660 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26660 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 26660 _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' . . . 26660 1 2 '2D 1H-13C HSQC aromatic' . . . 26660 1 3 '3D CBCA(CO)NH' . . . 26660 1 4 '3D C(CO)NH' . . . 26660 1 5 '3D HNCO' . . . 26660 1 7 '3D HNCACB' . . . 26660 1 8 '3D H(CCO)NH' . . . 26660 1 9 '3D HCCH-TOCSY' . . . 26660 1 10 '3D 1H-15N TOCSY' . . . 26660 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 1 1 PRO HA H 1 4.436 . . 1 . . . . 131 P HA . 26660 1 2 . 1 1 1 1 PRO HB2 H 1 2.167 . . 1 . . . . 131 P HB2 . 26660 1 3 . 1 1 1 1 PRO HB3 H 1 1.521 . . 1 . . . . 131 P HB3 . 26660 1 4 . 1 1 1 1 PRO HG2 H 1 1.795 . . 2 . . . . 131 P HG# . 26660 1 5 . 1 1 1 1 PRO HG3 H 1 1.795 . . 2 . . . . 131 P HG# . 26660 1 6 . 1 1 1 1 PRO HD2 H 1 3.871 . . 1 . . . . 131 P HD2 . 26660 1 7 . 1 1 1 1 PRO HD3 H 1 3.589 . . 1 . . . . 131 P HD3 . 26660 1 8 . 1 1 1 1 PRO C C 13 175.517 . . 1 . . . . 131 P C . 26660 1 9 . 1 1 1 1 PRO CA C 13 62.924 . . 1 . . . . 131 P CA . 26660 1 10 . 1 1 1 1 PRO CB C 13 32.416 . . 1 . . . . 131 P CB . 26660 1 11 . 1 1 1 1 PRO CG C 13 27.363 . . 1 . . . . 131 P CG . 26660 1 12 . 1 1 1 1 PRO CD C 13 50.792 . . 1 . . . . 131 P CD . 26660 1 13 . 1 1 2 2 LYS H H 1 8.218 . . 1 . . . . 132 K H . 26660 1 14 . 1 1 2 2 LYS HA H 1 4.333 . . 1 . . . . 132 K HA . 26660 1 15 . 1 1 2 2 LYS HB2 H 1 1.833 . . 2 . . . . 132 K HB# . 26660 1 16 . 1 1 2 2 LYS HB3 H 1 1.833 . . 2 . . . . 132 K HB# . 26660 1 17 . 1 1 2 2 LYS HG2 H 1 1.460 . . 1 . . . . 132 K HG2 . 26660 1 18 . 1 1 2 2 LYS HG3 H 1 1.304 . . 1 . . . . 132 K HG3 . 26660 1 19 . 1 1 2 2 LYS HD2 H 1 1.774 . . 2 . . . . 132 K HD# . 26660 1 20 . 1 1 2 2 LYS HD3 H 1 1.774 . . 2 . . . . 132 K HD# . 26660 1 21 . 1 1 2 2 LYS HE2 H 1 3.013 . . 2 . . . . 132 K HE# . 26660 1 22 . 1 1 2 2 LYS HE3 H 1 3.013 . . 2 . . . . 132 K HE# . 26660 1 23 . 1 1 2 2 LYS C C 13 175.737 . . 1 . . . . 132 K C . 26660 1 24 . 1 1 2 2 LYS CA C 13 56.321 . . 1 . . . . 132 K CA . 26660 1 25 . 1 1 2 2 LYS CB C 13 33.303 . . 1 . . . . 132 K CB . 26660 1 26 . 1 1 2 2 LYS CG C 13 24.928 . . 1 . . . . 132 K CG . 26660 1 27 . 1 1 2 2 LYS CD C 13 29.389 . . 1 . . . . 132 K CD . 26660 1 28 . 1 1 2 2 LYS CE C 13 42.277 . . 1 . . . . 132 K CE . 26660 1 29 . 1 1 2 2 LYS N N 15 121.423 . . 1 . . . . 132 K N . 26660 1 30 . 1 1 3 3 PHE H H 1 8.372 . . 1 . . . . 133 F H . 26660 1 31 . 1 1 3 3 PHE HA H 1 5.720 . . 1 . . . . 133 F HA . 26660 1 32 . 1 1 3 3 PHE HB2 H 1 3.073 . . 2 . . . . 133 F HB# . 26660 1 33 . 1 1 3 3 PHE HB3 H 1 3.073 . . 2 . . . . 133 F HB# . 26660 1 34 . 1 1 3 3 PHE HD1 H 1 7.327 . . 3 . . . . 133 F HD# . 26660 1 35 . 1 1 3 3 PHE HD2 H 1 7.327 . . 3 . . . . 133 F HD# . 26660 1 36 . 1 1 3 3 PHE HE1 H 1 7.223 . . 3 . . . . 133 F HE# . 26660 1 37 . 1 1 3 3 PHE HE2 H 1 7.223 . . 3 . . . . 133 F HE# . 26660 1 38 . 1 1 3 3 PHE HZ H 1 6.995 . . 1 . . . . 133 F HZ . 26660 1 39 . 1 1 3 3 PHE C C 13 176.450 . . 1 . . . . 133 F C . 26660 1 40 . 1 1 3 3 PHE CA C 13 56.821 . . 1 . . . . 133 F CA . 26660 1 41 . 1 1 3 3 PHE CB C 13 42.260 . . 1 . . . . 133 F CB . 26660 1 42 . 1 1 3 3 PHE CD1 C 13 132.215 . . 3 . . . . 133 F CD# . 26660 1 43 . 1 1 3 3 PHE CD2 C 13 132.215 . . 3 . . . . 133 F CD# . 26660 1 44 . 1 1 3 3 PHE CE1 C 13 131.165 . . 3 . . . . 133 F CE# . 26660 1 45 . 1 1 3 3 PHE CE2 C 13 131.165 . . 3 . . . . 133 F CE# . 26660 1 46 . 1 1 3 3 PHE CZ C 13 128.021 . . 1 . . . . 133 F CZ . 26660 1 47 . 1 1 3 3 PHE N N 15 118.877 . . 1 . . . . 133 F N . 26660 1 48 . 1 1 4 4 PHE H H 1 9.475 . . 1 . . . . 134 F H . 26660 1 49 . 1 1 4 4 PHE HA H 1 5.586 . . 1 . . . . 134 F HA . 26660 1 50 . 1 1 4 4 PHE HB2 H 1 3.298 . . 1 . . . . 134 F HB2 . 26660 1 51 . 1 1 4 4 PHE HB3 H 1 3.069 . . 1 . . . . 134 F HB3 . 26660 1 52 . 1 1 4 4 PHE HD1 H 1 7.330 . . 3 . . . . 134 F HD# . 26660 1 53 . 1 1 4 4 PHE HD2 H 1 7.330 . . 3 . . . . 134 F HD# . 26660 1 54 . 1 1 4 4 PHE HE1 H 1 7.245 . . 3 . . . . 134 F HE# . 26660 1 55 . 1 1 4 4 PHE HE2 H 1 7.245 . . 3 . . . . 134 F HE# . 26660 1 56 . 1 1 4 4 PHE HZ H 1 7.019 . . 1 . . . . 134 F HZ . 26660 1 57 . 1 1 4 4 PHE C C 13 174.467 . . 1 . . . . 134 F C . 26660 1 58 . 1 1 4 4 PHE CA C 13 55.728 . . 1 . . . . 134 F CA . 26660 1 59 . 1 1 4 4 PHE CB C 13 42.334 . . 1 . . . . 134 F CB . 26660 1 60 . 1 1 4 4 PHE CD1 C 13 132.127 . . 3 . . . . 134 F CD# . 26660 1 61 . 1 1 4 4 PHE CD2 C 13 132.127 . . 3 . . . . 134 F CD# . 26660 1 62 . 1 1 4 4 PHE CE1 C 13 130.132 . . 3 . . . . 134 F CE# . 26660 1 63 . 1 1 4 4 PHE CE2 C 13 130.132 . . 3 . . . . 134 F CE# . 26660 1 64 . 1 1 4 4 PHE CZ C 13 128.010 . . 1 . . . . 134 F CZ . 26660 1 65 . 1 1 4 4 PHE N N 15 117.366 . . 1 . . . . 134 F N . 26660 1 66 . 1 1 5 5 TYR H H 1 10.042 . . 1 . . . . 135 Y H . 26660 1 67 . 1 1 5 5 TYR HA H 1 5.414 . . 1 . . . . 135 Y HA . 26660 1 68 . 1 1 5 5 TYR HB2 H 1 3.314 . . 1 . . . . 135 Y HB2 . 26660 1 69 . 1 1 5 5 TYR HB3 H 1 3.104 . . 1 . . . . 135 Y HB3 . 26660 1 70 . 1 1 5 5 TYR HD1 H 1 7.198 . . 3 . . . . 135 Y HD# . 26660 1 71 . 1 1 5 5 TYR HD2 H 1 7.198 . . 3 . . . . 135 Y HD# . 26660 1 72 . 1 1 5 5 TYR HE1 H 1 6.769 . . 3 . . . . 135 Y HE# . 26660 1 73 . 1 1 5 5 TYR HE2 H 1 6.769 . . 3 . . . . 135 Y HE# . 26660 1 74 . 1 1 5 5 TYR C C 13 176.326 . . 1 . . . . 135 Y C . 26660 1 75 . 1 1 5 5 TYR CA C 13 57.024 . . 1 . . . . 135 Y CA . 26660 1 76 . 1 1 5 5 TYR CB C 13 41.649 . . 1 . . . . 135 Y CB . 26660 1 77 . 1 1 5 5 TYR CD1 C 13 134.414 . . 3 . . . . 135 Y CD# . 26660 1 78 . 1 1 5 5 TYR CD2 C 13 134.414 . . 3 . . . . 135 Y CD# . 26660 1 79 . 1 1 5 5 TYR CE1 C 13 117.923 . . 3 . . . . 135 Y CE# . 26660 1 80 . 1 1 5 5 TYR CE2 C 13 117.923 . . 3 . . . . 135 Y CE# . 26660 1 81 . 1 1 5 5 TYR N N 15 117.675 . . 1 . . . . 135 Y N . 26660 1 82 . 1 1 6 6 ILE H H 1 9.770 . . 1 . . . . 136 I H . 26660 1 83 . 1 1 6 6 ILE HA H 1 4.665 . . 1 . . . . 136 I HA . 26660 1 84 . 1 1 6 6 ILE HB H 1 1.521 . . 1 . . . . 136 I HB . 26660 1 85 . 1 1 6 6 ILE HG12 H 1 1.887 . . 1 . . . . 136 I HG12 . 26660 1 86 . 1 1 6 6 ILE HG13 H 1 0.869 . . 1 . . . . 136 I HG13 . 26660 1 87 . 1 1 6 6 ILE HG21 H 1 0.503 . . 1 . . . . 136 I HG2 . 26660 1 88 . 1 1 6 6 ILE HG22 H 1 0.503 . . 1 . . . . 136 I HG2 . 26660 1 89 . 1 1 6 6 ILE HG23 H 1 0.503 . . 1 . . . . 136 I HG2 . 26660 1 90 . 1 1 6 6 ILE HD11 H 1 0.029 . . 1 . . . . 136 I HD1 . 26660 1 91 . 1 1 6 6 ILE HD12 H 1 0.029 . . 1 . . . . 136 I HD1 . 26660 1 92 . 1 1 6 6 ILE HD13 H 1 0.029 . . 1 . . . . 136 I HD1 . 26660 1 93 . 1 1 6 6 ILE C C 13 174.006 . . 1 . . . . 136 I C . 26660 1 94 . 1 1 6 6 ILE CA C 13 62.009 . . 1 . . . . 136 I CA . 26660 1 95 . 1 1 6 6 ILE CB C 13 38.903 . . 1 . . . . 136 I CB . 26660 1 96 . 1 1 6 6 ILE CG1 C 13 26.717 . . 1 . . . . 136 I CG1 . 26660 1 97 . 1 1 6 6 ILE CG2 C 13 18.778 . . 1 . . . . 136 I CG2 . 26660 1 98 . 1 1 6 6 ILE CD1 C 13 12.939 . . 1 . . . . 136 I CD1 . 26660 1 99 . 1 1 6 6 ILE N N 15 121.903 . . 1 . . . . 136 I N . 26660 1 100 . 1 1 7 7 LYS H H 1 9.621 . . 1 . . . . 137 K H . 26660 1 101 . 1 1 7 7 LYS HA H 1 5.107 . . 1 . . . . 137 K HA . 26660 1 102 . 1 1 7 7 LYS HB2 H 1 2.111 . . 1 . . . . 137 K HB2 . 26660 1 103 . 1 1 7 7 LYS HB3 H 1 1.401 . . 1 . . . . 137 K HB3 . 26660 1 104 . 1 1 7 7 LYS HG2 H 1 1.102 . . 2 . . . . 137 K HG# . 26660 1 105 . 1 1 7 7 LYS HG3 H 1 1.102 . . 2 . . . . 137 K HG# . 26660 1 106 . 1 1 7 7 LYS HD2 H 1 1.775 . . 1 . . . . 137 K HD2 . 26660 1 107 . 1 1 7 7 LYS HD3 H 1 1.439 . . 1 . . . . 137 K HD3 . 26660 1 108 . 1 1 7 7 LYS HE2 H 1 2.727 . . 1 . . . . 137 K HE2 . 26660 1 109 . 1 1 7 7 LYS HE3 H 1 2.582 . . 1 . . . . 137 K HE3 . 26660 1 110 . 1 1 7 7 LYS C C 13 175.740 . . 1 . . . . 137 K C . 26660 1 111 . 1 1 7 7 LYS CA C 13 54.939 . . 1 . . . . 137 K CA . 26660 1 112 . 1 1 7 7 LYS CB C 13 35.182 . . 1 . . . . 137 K CB . 26660 1 113 . 1 1 7 7 LYS CG C 13 23.603 . . 1 . . . . 137 K CG . 26660 1 114 . 1 1 7 7 LYS CD C 13 28.978 . . 1 . . . . 137 K CD . 26660 1 115 . 1 1 7 7 LYS CE C 13 41.313 . . 1 . . . . 137 K CE . 26660 1 116 . 1 1 7 7 LYS N N 15 127.859 . . 1 . . . . 137 K N . 26660 1 117 . 1 1 8 8 SER H H 1 9.497 . . 1 . . . . 138 S H . 26660 1 118 . 1 1 8 8 SER HA H 1 4.326 . . 1 . . . . 138 S HA . 26660 1 119 . 1 1 8 8 SER HB2 H 1 4.242 . . 1 . . . . 138 S HB2 . 26660 1 120 . 1 1 8 8 SER HB3 H 1 3.773 . . 1 . . . . 138 S HB3 . 26660 1 121 . 1 1 8 8 SER C C 13 177.299 . . 1 . . . . 138 S C . 26660 1 122 . 1 1 8 8 SER CA C 13 58.316 . . 1 . . . . 138 S CA . 26660 1 123 . 1 1 8 8 SER CB C 13 64.099 . . 1 . . . . 138 S CB . 26660 1 124 . 1 1 8 8 SER N N 15 120.463 . . 1 . . . . 138 S N . 26660 1 125 . 1 1 9 9 GLU H H 1 8.250 . . 1 . . . . 139 E H . 26660 1 126 . 1 1 9 9 GLU HA H 1 4.173 . . 1 . . . . 139 E HA . 26660 1 127 . 1 1 9 9 GLU HB2 H 1 2.139 . . 2 . . . . 139 E HB# . 26660 1 128 . 1 1 9 9 GLU HB3 H 1 2.139 . . 2 . . . . 139 E HB# . 26660 1 129 . 1 1 9 9 GLU HG2 H 1 2.176 . . 2 . . . . 139 E HG# . 26660 1 130 . 1 1 9 9 GLU HG3 H 1 2.176 . . 2 . . . . 139 E HG# . 26660 1 131 . 1 1 9 9 GLU C C 13 176.757 . . 1 . . . . 139 E C . 26660 1 132 . 1 1 9 9 GLU CA C 13 58.942 . . 1 . . . . 139 E CA . 26660 1 133 . 1 1 9 9 GLU CB C 13 30.147 . . 1 . . . . 139 E CB . 26660 1 134 . 1 1 9 9 GLU CG C 13 37.389 . . 1 . . . . 139 E CG . 26660 1 135 . 1 1 9 9 GLU N N 15 129.819 . . 1 . . . . 139 E N . 26660 1 136 . 1 1 10 10 LEU H H 1 7.658 . . 1 . . . . 140 L H . 26660 1 137 . 1 1 10 10 LEU HA H 1 4.132 . . 1 . . . . 140 L HA . 26660 1 138 . 1 1 10 10 LEU HB2 H 1 1.607 . . 1 . . . . 140 L HB2 . 26660 1 139 . 1 1 10 10 LEU HB3 H 1 1.278 . . 1 . . . . 140 L HB3 . 26660 1 140 . 1 1 10 10 LEU HG H 1 1.558 . . 1 . . . . 140 L HG . 26660 1 141 . 1 1 10 10 LEU HD11 H 1 0.977 . . 2 . . . . 140 L HD# . 26660 1 142 . 1 1 10 10 LEU HD12 H 1 0.977 . . 2 . . . . 140 L HD# . 26660 1 143 . 1 1 10 10 LEU HD13 H 1 0.977 . . 2 . . . . 140 L HD# . 26660 1 144 . 1 1 10 10 LEU HD21 H 1 0.977 . . 2 . . . . 140 L HD# . 26660 1 145 . 1 1 10 10 LEU HD22 H 1 0.977 . . 2 . . . . 140 L HD# . 26660 1 146 . 1 1 10 10 LEU HD23 H 1 0.977 . . 2 . . . . 140 L HD# . 26660 1 147 . 1 1 10 10 LEU C C 13 177.540 . . 1 . . . . 140 L C . 26660 1 148 . 1 1 10 10 LEU CA C 13 57.311 . . 1 . . . . 140 L CA . 26660 1 149 . 1 1 10 10 LEU CB C 13 42.903 . . 1 . . . . 140 L CB . 26660 1 150 . 1 1 10 10 LEU CG C 13 26.051 . . 1 . . . . 140 L CG . 26660 1 151 . 1 1 10 10 LEU CD1 C 13 23.824 . . 1 . . . . 140 L CD1 . 26660 1 152 . 1 1 10 10 LEU CD2 C 13 23.827 . . 1 . . . . 140 L CD2 . 26660 1 153 . 1 1 10 10 LEU N N 15 118.025 . . 1 . . . . 140 L N . 26660 1 154 . 1 1 11 11 ASN H H 1 7.006 . . 1 . . . . 141 N H . 26660 1 155 . 1 1 11 11 ASN HA H 1 5.036 . . 1 . . . . 141 N HA . 26660 1 156 . 1 1 11 11 ASN HB2 H 1 3.350 . . 1 . . . . 141 N HB2 . 26660 1 157 . 1 1 11 11 ASN HB3 H 1 2.631 . . 1 . . . . 141 N HB3 . 26660 1 158 . 1 1 11 11 ASN HD21 H 1 7.830 . . 1 . . . . 141 N HD21 . 26660 1 159 . 1 1 11 11 ASN HD22 H 1 6.383 . . 1 . . . . 141 N HD22 . 26660 1 160 . 1 1 11 11 ASN C C 13 176.472 . . 1 . . . . 141 N C . 26660 1 161 . 1 1 11 11 ASN CA C 13 51.614 . . 1 . . . . 141 N CA . 26660 1 162 . 1 1 11 11 ASN CB C 13 39.872 . . 1 . . . . 141 N CB . 26660 1 163 . 1 1 11 11 ASN N N 15 109.175 . . 1 . . . . 141 N N . 26660 1 164 . 1 1 11 11 ASN ND2 N 15 107.623 . . 1 . . . . 141 N ND2 . 26660 1 165 . 1 1 12 12 GLY H H 1 8.145 . . 1 . . . . 142 G H . 26660 1 166 . 1 1 12 12 GLY HA2 H 1 4.196 . . 1 . . . . 142 G HA2 . 26660 1 167 . 1 1 12 12 GLY HA3 H 1 3.897 . . 1 . . . . 142 G HA3 . 26660 1 168 . 1 1 12 12 GLY C C 13 173.765 . . 1 . . . . 142 G C . 26660 1 169 . 1 1 12 12 GLY CA C 13 46.578 . . 1 . . . . 142 G CA . 26660 1 170 . 1 1 12 12 GLY N N 15 108.780 . . 1 . . . . 142 G N . 26660 1 171 . 1 1 13 13 LYS H H 1 7.978 . . 1 . . . . 143 K H . 26660 1 172 . 1 1 13 13 LYS HA H 1 4.602 . . 1 . . . . 143 K HA . 26660 1 173 . 1 1 13 13 LYS HB2 H 1 1.977 . . 1 . . . . 143 K HB2 . 26660 1 174 . 1 1 13 13 LYS HB3 H 1 1.853 . . 1 . . . . 143 K HB3 . 26660 1 175 . 1 1 13 13 LYS HG2 H 1 1.226 . . 2 . . . . 143 K HG# . 26660 1 176 . 1 1 13 13 LYS HG3 H 1 1.226 . . 2 . . . . 143 K HG# . 26660 1 177 . 1 1 13 13 LYS HD2 H 1 1.420 . . 2 . . . . 143 K HD# . 26660 1 178 . 1 1 13 13 LYS HD3 H 1 1.420 . . 2 . . . . 143 K HD# . 26660 1 179 . 1 1 13 13 LYS HE2 H 1 2.901 . . 2 . . . . 143 K HE# . 26660 1 180 . 1 1 13 13 LYS HE3 H 1 2.901 . . 2 . . . . 143 K HE# . 26660 1 181 . 1 1 13 13 LYS C C 13 174.891 . . 1 . . . . 143 K C . 26660 1 182 . 1 1 13 13 LYS CA C 13 55.675 . . 1 . . . . 143 K CA . 26660 1 183 . 1 1 13 13 LYS CB C 13 34.265 . . 1 . . . . 143 K CB . 26660 1 184 . 1 1 13 13 LYS CG C 13 26.439 . . 1 . . . . 143 K CG . 26660 1 185 . 1 1 13 13 LYS CD C 13 29.424 . . 1 . . . . 143 K CD . 26660 1 186 . 1 1 13 13 LYS CE C 13 42.591 . . 1 . . . . 143 K CE . 26660 1 187 . 1 1 13 13 LYS N N 15 120.173 . . 1 . . . . 143 K N . 26660 1 188 . 1 1 14 14 VAL H H 1 9.015 . . 1 . . . . 144 V H . 26660 1 189 . 1 1 14 14 VAL HA H 1 5.846 . . 1 . . . . 144 V HA . 26660 1 190 . 1 1 14 14 VAL HB H 1 3.248 . . 1 . . . . 144 V HB . 26660 1 191 . 1 1 14 14 VAL HG11 H 1 1.285 . . 1 . . . . 144 V HG1 . 26660 1 192 . 1 1 14 14 VAL HG12 H 1 1.285 . . 1 . . . . 144 V HG1 . 26660 1 193 . 1 1 14 14 VAL HG13 H 1 1.285 . . 1 . . . . 144 V HG1 . 26660 1 194 . 1 1 14 14 VAL HG21 H 1 0.922 . . 1 . . . . 144 V HG2 . 26660 1 195 . 1 1 14 14 VAL HG22 H 1 0.922 . . 1 . . . . 144 V HG2 . 26660 1 196 . 1 1 14 14 VAL HG23 H 1 0.922 . . 1 . . . . 144 V HG2 . 26660 1 197 . 1 1 14 14 VAL C C 13 176.377 . . 1 . . . . 144 V C . 26660 1 198 . 1 1 14 14 VAL CA C 13 58.437 . . 1 . . . . 144 V CA . 26660 1 199 . 1 1 14 14 VAL CB C 13 33.393 . . 1 . . . . 144 V CB . 26660 1 200 . 1 1 14 14 VAL CG1 C 13 18.866 . . 1 . . . . 144 V CG1 . 26660 1 201 . 1 1 14 14 VAL CG2 C 13 21.734 . . 1 . . . . 144 V CG2 . 26660 1 202 . 1 1 14 14 VAL N N 15 109.723 . . 1 . . . . 144 V N . 26660 1 203 . 1 1 15 15 LEU H H 1 8.855 . . 1 . . . . 145 L H . 26660 1 204 . 1 1 15 15 LEU HA H 1 4.745 . . 1 . . . . 145 L HA . 26660 1 205 . 1 1 15 15 LEU HB2 H 1 1.735 . . 1 . . . . 145 L HB2 . 26660 1 206 . 1 1 15 15 LEU HB3 H 1 1.635 . . 1 . . . . 145 L HB3 . 26660 1 207 . 1 1 15 15 LEU HG H 1 1.592 . . 1 . . . . 145 L HG . 26660 1 208 . 1 1 15 15 LEU HD11 H 1 0.475 . . 2 . . . . 145 L HD# . 26660 1 209 . 1 1 15 15 LEU HD12 H 1 0.475 . . 2 . . . . 145 L HD# . 26660 1 210 . 1 1 15 15 LEU HD13 H 1 0.475 . . 2 . . . . 145 L HD# . 26660 1 211 . 1 1 15 15 LEU HD21 H 1 0.475 . . 2 . . . . 145 L HD# . 26660 1 212 . 1 1 15 15 LEU HD22 H 1 0.475 . . 2 . . . . 145 L HD# . 26660 1 213 . 1 1 15 15 LEU HD23 H 1 0.475 . . 2 . . . . 145 L HD# . 26660 1 214 . 1 1 15 15 LEU C C 13 179.069 . . 1 . . . . 145 L C . 26660 1 215 . 1 1 15 15 LEU CA C 13 57.904 . . 1 . . . . 145 L CA . 26660 1 216 . 1 1 15 15 LEU CB C 13 41.794 . . 1 . . . . 145 L CB . 26660 1 217 . 1 1 15 15 LEU CG C 13 27.200 . . 1 . . . . 145 L CG . 26660 1 218 . 1 1 15 15 LEU CD1 C 13 23.834 . . 2 . . . . 145 L CD# . 26660 1 219 . 1 1 15 15 LEU CD2 C 13 23.834 . . 2 . . . . 145 L CD# . 26660 1 220 . 1 1 15 15 LEU N N 15 120.992 . . 1 . . . . 145 L N . 26660 1 221 . 1 1 16 16 ASP H H 1 9.160 . . 1 . . . . 146 D H . 26660 1 222 . 1 1 16 16 ASP HA H 1 5.337 . . 1 . . . . 146 D HA . 26660 1 223 . 1 1 16 16 ASP HB2 H 1 2.839 . . 1 . . . . 146 D HB2 . 26660 1 224 . 1 1 16 16 ASP HB3 H 1 2.534 . . 1 . . . . 146 D HB3 . 26660 1 225 . 1 1 16 16 ASP C C 13 174.401 . . 1 . . . . 146 D C . 26660 1 226 . 1 1 16 16 ASP CA C 13 53.520 . . 1 . . . . 146 D CA . 26660 1 227 . 1 1 16 16 ASP CB C 13 46.266 . . 1 . . . . 146 D CB . 26660 1 228 . 1 1 16 16 ASP N N 15 125.603 . . 1 . . . . 146 D N . 26660 1 229 . 1 1 17 17 ILE H H 1 8.505 . . 1 . . . . 147 I H . 26660 1 230 . 1 1 17 17 ILE HA H 1 4.212 . . 1 . . . . 147 I HA . 26660 1 231 . 1 1 17 17 ILE HB H 1 1.605 . . 1 . . . . 147 I HB . 26660 1 232 . 1 1 17 17 ILE HG12 H 1 1.829 . . 1 . . . . 147 I HG1# . 26660 1 233 . 1 1 17 17 ILE HG13 H 1 1.829 . . 1 . . . . 147 I HG1# . 26660 1 234 . 1 1 17 17 ILE HG21 H 1 0.994 . . 1 . . . . 147 I HG2 . 26660 1 235 . 1 1 17 17 ILE HG22 H 1 0.994 . . 1 . . . . 147 I HG2 . 26660 1 236 . 1 1 17 17 ILE HG23 H 1 0.994 . . 1 . . . . 147 I HG2 . 26660 1 237 . 1 1 17 17 ILE HD11 H 1 0.803 . . 1 . . . . 147 I HD1 . 26660 1 238 . 1 1 17 17 ILE HD12 H 1 0.803 . . 1 . . . . 147 I HD1 . 26660 1 239 . 1 1 17 17 ILE HD13 H 1 0.803 . . 1 . . . . 147 I HD1 . 26660 1 240 . 1 1 17 17 ILE C C 13 175.813 . . 1 . . . . 147 I C . 26660 1 241 . 1 1 17 17 ILE CA C 13 62.936 . . 1 . . . . 147 I CA . 26660 1 242 . 1 1 17 17 ILE CB C 13 38.334 . . 1 . . . . 147 I CB . 26660 1 243 . 1 1 17 17 ILE CG1 C 13 28.246 . . 1 . . . . 147 I CG1 . 26660 1 244 . 1 1 17 17 ILE CG2 C 13 18.793 . . 1 . . . . 147 I CG2 . 26660 1 245 . 1 1 17 17 ILE CD1 C 13 15.910 . . 1 . . . . 147 I CD1 . 26660 1 246 . 1 1 17 17 ILE N N 15 123.500 . . 1 . . . . 147 I N . 26660 1 247 . 1 1 18 18 GLY H H 1 8.391 . . 1 . . . . 148 G H . 26660 1 248 . 1 1 18 18 GLY HA2 H 1 3.953 . . 1 . . . . 148 G HA2 . 26660 1 249 . 1 1 18 18 GLY HA3 H 1 3.803 . . 1 . . . . 148 G HA3 . 26660 1 250 . 1 1 18 18 GLY C C 13 176.845 . . 1 . . . . 148 G C . 26660 1 251 . 1 1 18 18 GLY CA C 13 46.931 . . 1 . . . . 148 G CA . 26660 1 252 . 1 1 18 18 GLY N N 15 119.257 . . 1 . . . . 148 G N . 26660 1 253 . 1 1 19 19 GLY H H 1 9.652 . . 1 . . . . 149 G H . 26660 1 254 . 1 1 19 19 GLY HA2 H 1 3.972 . . 2 . . . . 149 G HA# . 26660 1 255 . 1 1 19 19 GLY HA3 H 1 3.972 . . 2 . . . . 149 G HA# . 26660 1 256 . 1 1 19 19 GLY C C 13 175.323 . . 1 . . . . 149 G C . 26660 1 257 . 1 1 19 19 GLY CA C 13 46.547 . . 1 . . . . 149 G CA . 26660 1 258 . 1 1 19 19 GLY N N 15 116.558 . . 1 . . . . 149 G N . 26660 1 259 . 1 1 20 20 GLN H H 1 8.455 . . 1 . . . . 150 Q H . 26660 1 260 . 1 1 20 20 GLN HA H 1 3.375 . . 1 . . . . 150 Q HA . 26660 1 261 . 1 1 20 20 GLN HB2 H 1 2.176 . . 2 . . . . 150 Q HB# . 26660 1 262 . 1 1 20 20 GLN HB3 H 1 2.176 . . 2 . . . . 150 Q HB# . 26660 1 263 . 1 1 20 20 GLN HG2 H 1 2.236 . . 2 . . . . 150 Q HG# . 26660 1 264 . 1 1 20 20 GLN HG3 H 1 2.236 . . 2 . . . . 150 Q HG# . 26660 1 265 . 1 1 20 20 GLN HE21 H 1 7.512 . . 1 . . . . 150 Q HE21 . 26660 1 266 . 1 1 20 20 GLN HE22 H 1 6.914 . . 1 . . . . 150 Q HE22 . 26660 1 267 . 1 1 20 20 GLN C C 13 173.472 . . 1 . . . . 150 Q C . 26660 1 268 . 1 1 20 20 GLN CA C 13 56.042 . . 1 . . . . 150 Q CA . 26660 1 269 . 1 1 20 20 GLN CB C 13 28.301 . . 1 . . . . 150 Q CB . 26660 1 270 . 1 1 20 20 GLN CG C 13 34.729 . . 1 . . . . 150 Q CG . 26660 1 271 . 1 1 20 20 GLN N N 15 113.351 . . 1 . . . . 150 Q N . 26660 1 272 . 1 1 20 20 GLN NE2 N 15 111.510 . . 1 . . . . 150 Q NE2 . 26660 1 273 . 1 1 21 21 ASN H H 1 6.572 . . 1 . . . . 151 N H . 26660 1 274 . 1 1 21 21 ASN HA H 1 4.685 . . 1 . . . . 151 N HA . 26660 1 275 . 1 1 21 21 ASN HB2 H 1 3.346 . . 1 . . . . 151 N HB2 . 26660 1 276 . 1 1 21 21 ASN HB3 H 1 2.706 . . 1 . . . . 151 N HB3 . 26660 1 277 . 1 1 21 21 ASN CA C 13 51.308 . . 1 . . . . 151 N CA . 26660 1 278 . 1 1 21 21 ASN CB C 13 39.579 . . 1 . . . . 151 N CB . 26660 1 279 . 1 1 21 21 ASN N N 15 118.502 . . 1 . . . . 151 N N . 26660 1 280 . 1 1 22 22 PRO HA H 1 4.347 . . 1 . . . . 152 P HA . 26660 1 281 . 1 1 22 22 PRO HB2 H 1 2.104 . . 2 . . . . 152 P HB# . 26660 1 282 . 1 1 22 22 PRO HB3 H 1 2.104 . . 2 . . . . 152 P HB# . 26660 1 283 . 1 1 22 22 PRO HG2 H 1 1.961 . . 2 . . . . 152 P HG# . 26660 1 284 . 1 1 22 22 PRO HG3 H 1 1.961 . . 2 . . . . 152 P HG# . 26660 1 285 . 1 1 22 22 PRO HD2 H 1 3.988 . . 2 . . . . 152 P HD# . 26660 1 286 . 1 1 22 22 PRO HD3 H 1 3.988 . . 2 . . . . 152 P HD# . 26660 1 287 . 1 1 22 22 PRO C C 13 176.808 . . 1 . . . . 152 P C . 26660 1 288 . 1 1 22 22 PRO CA C 13 62.922 . . 1 . . . . 152 P CA . 26660 1 289 . 1 1 22 22 PRO CB C 13 32.367 . . 1 . . . . 152 P CB . 26660 1 290 . 1 1 22 22 PRO CG C 13 26.351 . . 1 . . . . 152 P CG . 26660 1 291 . 1 1 22 22 PRO CD C 13 50.306 . . 1 . . . . 152 P CD . 26660 1 292 . 1 1 23 23 ALA H H 1 8.142 . . 1 . . . . 153 A H . 26660 1 293 . 1 1 23 23 ALA HA H 1 4.687 . . 1 . . . . 153 A HA . 26660 1 294 . 1 1 23 23 ALA HB1 H 1 1.475 . . 1 . . . . 153 A HB . 26660 1 295 . 1 1 23 23 ALA HB2 H 1 1.475 . . 1 . . . . 153 A HB . 26660 1 296 . 1 1 23 23 ALA HB3 H 1 1.475 . . 1 . . . . 153 A HB . 26660 1 297 . 1 1 23 23 ALA CA C 13 51.587 . . 1 . . . . 153 A CA . 26660 1 298 . 1 1 23 23 ALA CB C 13 17.901 . . 1 . . . . 153 A CB . 26660 1 299 . 1 1 23 23 ALA N N 15 125.056 . . 1 . . . . 153 A N . 26660 1 300 . 1 1 24 24 PRO HA H 1 4.452 . . 1 . . . . 154 P HA . 26660 1 301 . 1 1 24 24 PRO HB2 H 1 2.351 . . 2 . . . . 154 P HB# . 26660 1 302 . 1 1 24 24 PRO HB3 H 1 2.351 . . 2 . . . . 154 P HB# . 26660 1 303 . 1 1 24 24 PRO HG2 H 1 2.190 . . 2 . . . . 154 P HG# . 26660 1 304 . 1 1 24 24 PRO HG3 H 1 2.190 . . 2 . . . . 154 P HG# . 26660 1 305 . 1 1 24 24 PRO HD2 H 1 4.212 . . 1 . . . . 154 P HD2 . 26660 1 306 . 1 1 24 24 PRO HD3 H 1 3.975 . . 1 . . . . 154 P HD3 . 26660 1 307 . 1 1 24 24 PRO C C 13 176.852 . . 1 . . . . 154 P C . 26660 1 308 . 1 1 24 24 PRO CA C 13 64.035 . . 1 . . . . 154 P CA . 26660 1 309 . 1 1 24 24 PRO CB C 13 32.196 . . 1 . . . . 154 P CB . 26660 1 310 . 1 1 24 24 PRO CG C 13 27.814 . . 1 . . . . 154 P CG . 26660 1 311 . 1 1 24 24 PRO CD C 13 50.804 . . 1 . . . . 154 P CD . 26660 1 312 . 1 1 25 25 GLY H H 1 9.517 . . 1 . . . . 155 G H . 26660 1 313 . 1 1 25 25 GLY HA2 H 1 4.212 . . 1 . . . . 155 G HA2 . 26660 1 314 . 1 1 25 25 GLY HA3 H 1 3.851 . . 1 . . . . 155 G HA3 . 26660 1 315 . 1 1 25 25 GLY C C 13 174.504 . . 1 . . . . 155 G C . 26660 1 316 . 1 1 25 25 GLY CA C 13 45.768 . . 1 . . . . 155 G CA . 26660 1 317 . 1 1 25 25 GLY N N 15 112.872 . . 1 . . . . 155 G N . 26660 1 318 . 1 1 26 26 SER H H 1 7.326 . . 1 . . . . 156 S H . 26660 1 319 . 1 1 26 26 SER HA H 1 4.581 . . 1 . . . . 156 S HA . 26660 1 320 . 1 1 26 26 SER HB2 H 1 4.147 . . 2 . . . . 156 S HB# . 26660 1 321 . 1 1 26 26 SER HB3 H 1 4.147 . . 2 . . . . 156 S HB# . 26660 1 322 . 1 1 26 26 SER C C 13 173.428 . . 1 . . . . 156 S C . 26660 1 323 . 1 1 26 26 SER CA C 13 59.440 . . 1 . . . . 156 S CA . 26660 1 324 . 1 1 26 26 SER CB C 13 63.392 . . 1 . . . . 156 S CB . 26660 1 325 . 1 1 26 26 SER N N 15 117.400 . . 1 . . . . 156 S N . 26660 1 326 . 1 1 27 27 LYS H H 1 8.716 . . 1 . . . . 157 K H . 26660 1 327 . 1 1 27 27 LYS HA H 1 4.557 . . 1 . . . . 157 K HA . 26660 1 328 . 1 1 27 27 LYS HB2 H 1 2.058 . . 2 . . . . 157 K HB# . 26660 1 329 . 1 1 27 27 LYS HB3 H 1 2.058 . . 2 . . . . 157 K HB# . 26660 1 330 . 1 1 27 27 LYS HG2 H 1 1.770 . . 2 . . . . 157 K HG# . 26660 1 331 . 1 1 27 27 LYS HG3 H 1 1.770 . . 2 . . . . 157 K HG# . 26660 1 332 . 1 1 27 27 LYS HD2 H 1 1.805 . . 2 . . . . 157 K HD# . 26660 1 333 . 1 1 27 27 LYS HD3 H 1 1.805 . . 2 . . . . 157 K HD# . 26660 1 334 . 1 1 27 27 LYS HE2 H 1 3.164 . . 2 . . . . 157 K HE# . 26660 1 335 . 1 1 27 27 LYS HE3 H 1 3.164 . . 2 . . . . 157 K HE# . 26660 1 336 . 1 1 27 27 LYS C C 13 176.487 . . 1 . . . . 157 K C . 26660 1 337 . 1 1 27 27 LYS CA C 13 57.293 . . 1 . . . . 157 K CA . 26660 1 338 . 1 1 27 27 LYS CB C 13 32.959 . . 1 . . . . 157 K CB . 26660 1 339 . 1 1 27 27 LYS CG C 13 25.524 . . 1 . . . . 157 K CG . 26660 1 340 . 1 1 27 27 LYS CD C 13 29.051 . . 1 . . . . 157 K CD . 26660 1 341 . 1 1 27 27 LYS CE C 13 42.514 . . 1 . . . . 157 K CE . 26660 1 342 . 1 1 27 27 LYS N N 15 124.173 . . 1 . . . . 157 K N . 26660 1 343 . 1 1 28 28 ILE H H 1 7.569 . . 1 . . . . 158 I H . 26660 1 344 . 1 1 28 28 ILE HA H 1 4.974 . . 1 . . . . 158 I HA . 26660 1 345 . 1 1 28 28 ILE HB H 1 1.611 . . 1 . . . . 158 I HB . 26660 1 346 . 1 1 28 28 ILE HG12 H 1 2.001 . . 1 . . . . 158 I HG1# . 26660 1 347 . 1 1 28 28 ILE HG13 H 1 2.001 . . 1 . . . . 158 I HG1# . 26660 1 348 . 1 1 28 28 ILE HG21 H 1 1.037 . . 1 . . . . 158 I HG2 . 26660 1 349 . 1 1 28 28 ILE HG22 H 1 1.037 . . 1 . . . . 158 I HG2 . 26660 1 350 . 1 1 28 28 ILE HG23 H 1 1.037 . . 1 . . . . 158 I HG2 . 26660 1 351 . 1 1 28 28 ILE HD11 H 1 0.911 . . 1 . . . . 158 I HD1 . 26660 1 352 . 1 1 28 28 ILE HD12 H 1 0.911 . . 1 . . . . 158 I HD1 . 26660 1 353 . 1 1 28 28 ILE HD13 H 1 0.911 . . 1 . . . . 158 I HD1 . 26660 1 354 . 1 1 28 28 ILE C C 13 174.379 . . 1 . . . . 158 I C . 26660 1 355 . 1 1 28 28 ILE CA C 13 60.775 . . 1 . . . . 158 I CA . 26660 1 356 . 1 1 28 28 ILE CB C 13 38.698 . . 1 . . . . 158 I CB . 26660 1 357 . 1 1 28 28 ILE CG1 C 13 28.963 . . 1 . . . . 158 I CG1 . 26660 1 358 . 1 1 28 28 ILE CG2 C 13 18.749 . . 1 . . . . 158 I CG2 . 26660 1 359 . 1 1 28 28 ILE CD1 C 13 15.559 . . 1 . . . . 158 I CD1 . 26660 1 360 . 1 1 28 28 ILE N N 15 123.012 . . 1 . . . . 158 I N . 26660 1 361 . 1 1 29 29 ILE H H 1 9.717 . . 1 . . . . 159 I H . 26660 1 362 . 1 1 29 29 ILE HA H 1 5.286 . . 1 . . . . 159 I HA . 26660 1 363 . 1 1 29 29 ILE HB H 1 2.411 . . 1 . . . . 159 I HB . 26660 1 364 . 1 1 29 29 ILE HG12 H 1 1.457 . . 1 . . . . 159 I HG1# . 26660 1 365 . 1 1 29 29 ILE HG13 H 1 1.457 . . 1 . . . . 159 I HG1# . 26660 1 366 . 1 1 29 29 ILE HG21 H 1 0.983 . . 1 . . . . 159 I HG2 . 26660 1 367 . 1 1 29 29 ILE HG22 H 1 0.983 . . 1 . . . . 159 I HG2 . 26660 1 368 . 1 1 29 29 ILE HG23 H 1 0.983 . . 1 . . . . 159 I HG2 . 26660 1 369 . 1 1 29 29 ILE HD11 H 1 0.959 . . 1 . . . . 159 I HD1 . 26660 1 370 . 1 1 29 29 ILE HD12 H 1 0.959 . . 1 . . . . 159 I HD1 . 26660 1 371 . 1 1 29 29 ILE HD13 H 1 0.959 . . 1 . . . . 159 I HD1 . 26660 1 372 . 1 1 29 29 ILE C C 13 176.194 . . 1 . . . . 159 I C . 26660 1 373 . 1 1 29 29 ILE CA C 13 59.737 . . 1 . . . . 159 I CA . 26660 1 374 . 1 1 29 29 ILE CB C 13 42.109 . . 1 . . . . 159 I CB . 26660 1 375 . 1 1 29 29 ILE CG1 C 13 25.846 . . 1 . . . . 159 I CG1 . 26660 1 376 . 1 1 29 29 ILE CG2 C 13 17.827 . . 1 . . . . 159 I CG2 . 26660 1 377 . 1 1 29 29 ILE CD1 C 13 14.959 . . 1 . . . . 159 I CD1 . 26660 1 378 . 1 1 29 29 ILE N N 15 122.373 . . 1 . . . . 159 I N . 26660 1 379 . 1 1 30 30 THR H H 1 8.175 . . 1 . . . . 160 T H . 26660 1 380 . 1 1 30 30 THR HA H 1 5.588 . . 1 . . . . 160 T HA . 26660 1 381 . 1 1 30 30 THR HB H 1 4.252 . . 1 . . . . 160 T HB . 26660 1 382 . 1 1 30 30 THR HG21 H 1 1.282 . . 1 . . . . 160 T HG2 . 26660 1 383 . 1 1 30 30 THR HG22 H 1 1.282 . . 1 . . . . 160 T HG2 . 26660 1 384 . 1 1 30 30 THR HG23 H 1 1.282 . . 1 . . . . 160 T HG2 . 26660 1 385 . 1 1 30 30 THR C C 13 174.774 . . 1 . . . . 160 T C . 26660 1 386 . 1 1 30 30 THR CA C 13 59.511 . . 1 . . . . 160 T CA . 26660 1 387 . 1 1 30 30 THR CB C 13 70.169 . . 1 . . . . 160 T CB . 26660 1 388 . 1 1 30 30 THR CG2 C 13 22.876 . . 1 . . . . 160 T CG2 . 26660 1 389 . 1 1 30 30 THR N N 15 106.228 . . 1 . . . . 160 T N . 26660 1 390 . 1 1 31 31 TRP H H 1 9.489 . . 1 . . . . 161 W H . 26660 1 391 . 1 1 31 31 TRP HA H 1 4.981 . . 1 . . . . 161 W HA . 26660 1 392 . 1 1 31 31 TRP HB2 H 1 3.170 . . 2 . . . . 161 W HB# . 26660 1 393 . 1 1 31 31 TRP HB3 H 1 3.170 . . 2 . . . . 161 W HB# . 26660 1 394 . 1 1 31 31 TRP HD1 H 1 7.546 . . 1 . . . . 161 W HD1 . 26660 1 395 . 1 1 31 31 TRP HE1 H 1 10.637 . . 1 . . . . 161 W HE1 . 26660 1 396 . 1 1 31 31 TRP HZ2 H 1 7.684 . . 1 . . . . 161 W HZ2 . 26660 1 397 . 1 1 31 31 TRP HH2 H 1 7.432 . . 1 . . . . 161 W HH2 . 26660 1 398 . 1 1 31 31 TRP C C 13 173.245 . . 1 . . . . 161 W C . 26660 1 399 . 1 1 31 31 TRP CA C 13 55.361 . . 1 . . . . 161 W CA . 26660 1 400 . 1 1 31 31 TRP CB C 13 36.063 . . 1 . . . . 161 W CB . 26660 1 401 . 1 1 31 31 TRP CD1 C 13 128.730 . . 1 . . . . 161 W CD1 . 26660 1 402 . 1 1 31 31 TRP CZ2 C 13 114.712 . . 1 . . . . 161 W CZ2 . 26660 1 403 . 1 1 31 31 TRP CH2 C 13 125.025 . . 1 . . . . 161 W CH2 . 26660 1 404 . 1 1 31 31 TRP N N 15 124.795 . . 1 . . . . 161 W N . 26660 1 405 . 1 1 31 31 TRP NE1 N 15 130.076 . . 1 . . . . 161 W NE1 . 26660 1 406 . 1 1 32 32 ASP H H 1 6.576 . . 1 . . . . 162 D H . 26660 1 407 . 1 1 32 32 ASP HA H 1 4.504 . . 1 . . . . 162 D HA . 26660 1 408 . 1 1 32 32 ASP HB2 H 1 2.121 . . 2 . . . . 162 D HB# . 26660 1 409 . 1 1 32 32 ASP HB3 H 1 2.121 . . 2 . . . . 162 D HB# . 26660 1 410 . 1 1 32 32 ASP C C 13 176.179 . . 1 . . . . 162 D C . 26660 1 411 . 1 1 32 32 ASP CA C 13 55.877 . . 1 . . . . 162 D CA . 26660 1 412 . 1 1 32 32 ASP CB C 13 41.375 . . 1 . . . . 162 D CB . 26660 1 413 . 1 1 32 32 ASP N N 15 124.569 . . 1 . . . . 162 D N . 26660 1 414 . 1 1 33 33 GLN H H 1 8.855 . . 1 . . . . 163 Q H . 26660 1 415 . 1 1 33 33 GLN HA H 1 4.376 . . 1 . . . . 163 Q HA . 26660 1 416 . 1 1 33 33 GLN HB2 H 1 2.079 . . 2 . . . . 163 Q HB# . 26660 1 417 . 1 1 33 33 GLN HB3 H 1 2.079 . . 2 . . . . 163 Q HB# . 26660 1 418 . 1 1 33 33 GLN HG2 H 1 2.026 . . 2 . . . . 163 Q HG# . 26660 1 419 . 1 1 33 33 GLN HG3 H 1 2.026 . . 2 . . . . 163 Q HG# . 26660 1 420 . 1 1 33 33 GLN HE21 H 1 7.285 . . 1 . . . . 163 Q HE21 . 26660 1 421 . 1 1 33 33 GLN HE22 H 1 3.610 . . 1 . . . . 163 Q HE22 . 26660 1 422 . 1 1 33 33 GLN C C 13 175.872 . . 1 . . . . 163 Q C . 26660 1 423 . 1 1 33 33 GLN CA C 13 57.520 . . 1 . . . . 163 Q CA . 26660 1 424 . 1 1 33 33 GLN CB C 13 29.680 . . 1 . . . . 163 Q CB . 26660 1 425 . 1 1 33 33 GLN CG C 13 33.104 . . 1 . . . . 163 Q CG . 26660 1 426 . 1 1 33 33 GLN N N 15 123.236 . . 1 . . . . 163 Q N . 26660 1 427 . 1 1 33 33 GLN NE2 N 15 107.706 . . 1 . . . . 163 Q NE2 . 26660 1 428 . 1 1 34 34 LYS H H 1 10.594 . . 1 . . . . 164 K H . 26660 1 429 . 1 1 34 34 LYS HA H 1 4.748 . . 1 . . . . 164 K HA . 26660 1 430 . 1 1 34 34 LYS HB2 H 1 1.737 . . 1 . . . . 164 K HB2 . 26660 1 431 . 1 1 34 34 LYS HB3 H 1 1.670 . . 1 . . . . 164 K HB3 . 26660 1 432 . 1 1 34 34 LYS HG2 H 1 1.595 . . 2 . . . . 164 K HG# . 26660 1 433 . 1 1 34 34 LYS HG3 H 1 1.595 . . 2 . . . . 164 K HG# . 26660 1 434 . 1 1 34 34 LYS HD2 H 1 1.797 . . 2 . . . . 164 K HD# . 26660 1 435 . 1 1 34 34 LYS HD3 H 1 1.797 . . 2 . . . . 164 K HD# . 26660 1 436 . 1 1 34 34 LYS HE2 H 1 3.194 . . 2 . . . . 164 K HE# . 26660 1 437 . 1 1 34 34 LYS HE3 H 1 3.194 . . 2 . . . . 164 K HE# . 26660 1 438 . 1 1 34 34 LYS C C 13 175.418 . . 1 . . . . 164 K C . 26660 1 439 . 1 1 34 34 LYS CA C 13 55.435 . . 1 . . . . 164 K CA . 26660 1 440 . 1 1 34 34 LYS CB C 13 34.687 . . 1 . . . . 164 K CB . 26660 1 441 . 1 1 34 34 LYS CG C 13 25.202 . . 1 . . . . 164 K CG . 26660 1 442 . 1 1 34 34 LYS CD C 13 29.622 . . 1 . . . . 164 K CD . 26660 1 443 . 1 1 34 34 LYS CE C 13 41.680 . . 1 . . . . 164 K CE . 26660 1 444 . 1 1 34 34 LYS N N 15 131.679 . . 1 . . . . 164 K N . 26660 1 445 . 1 1 35 35 LYS H H 1 8.867 . . 1 . . . . 165 K H . 26660 1 446 . 1 1 35 35 LYS HA H 1 4.616 . . 1 . . . . 165 K HA . 26660 1 447 . 1 1 35 35 LYS HB2 H 1 1.977 . . 1 . . . . 165 K HB2 . 26660 1 448 . 1 1 35 35 LYS HB3 H 1 1.853 . . 1 . . . . 165 K HB3 . 26660 1 449 . 1 1 35 35 LYS HG2 H 1 1.522 . . 2 . . . . 165 K HG# . 26660 1 450 . 1 1 35 35 LYS HG3 H 1 1.522 . . 2 . . . . 165 K HG# . 26660 1 451 . 1 1 35 35 LYS HD2 H 1 1.807 . . 2 . . . . 165 K HD# . 26660 1 452 . 1 1 35 35 LYS HD3 H 1 1.807 . . 2 . . . . 165 K HD# . 26660 1 453 . 1 1 35 35 LYS HE2 H 1 2.963 . . 2 . . . . 165 K HE# . 26660 1 454 . 1 1 35 35 LYS HE3 H 1 2.963 . . 2 . . . . 165 K HE# . 26660 1 455 . 1 1 35 35 LYS C C 13 175.901 . . 1 . . . . 165 K C . 26660 1 456 . 1 1 35 35 LYS CA C 13 55.566 . . 1 . . . . 165 K CA . 26660 1 457 . 1 1 35 35 LYS CB C 13 35.949 . . 1 . . . . 165 K CB . 26660 1 458 . 1 1 35 35 LYS CG C 13 24.983 . . 1 . . . . 165 K CG . 26660 1 459 . 1 1 35 35 LYS CD C 13 29.212 . . 1 . . . . 165 K CD . 26660 1 460 . 1 1 35 35 LYS CE C 13 42.236 . . 1 . . . . 165 K CE . 26660 1 461 . 1 1 35 35 LYS N N 15 120.771 . . 1 . . . . 165 K N . 26660 1 462 . 1 1 36 36 GLY H H 1 9.086 . . 1 . . . . 166 G H . 26660 1 463 . 1 1 36 36 GLY HA2 H 1 4.678 . . 1 . . . . 166 G HA2 . 26660 1 464 . 1 1 36 36 GLY HA3 H 1 3.931 . . 1 . . . . 166 G HA3 . 26660 1 465 . 1 1 36 36 GLY CA C 13 44.641 . . 1 . . . . 166 G CA . 26660 1 466 . 1 1 36 36 GLY N N 15 110.813 . . 1 . . . . 166 G N . 26660 1 467 . 1 1 37 37 PRO HA H 1 4.263 . . 1 . . . . 167 P HA . 26660 1 468 . 1 1 37 37 PRO HB2 H 1 2.491 . . 1 . . . . 167 P HB2 . 26660 1 469 . 1 1 37 37 PRO HB3 H 1 2.087 . . 1 . . . . 167 P HB3 . 26660 1 470 . 1 1 37 37 PRO HG2 H 1 2.187 . . 2 . . . . 167 P HG# . 26660 1 471 . 1 1 37 37 PRO HG3 H 1 2.187 . . 2 . . . . 167 P HG# . 26660 1 472 . 1 1 37 37 PRO HD2 H 1 3.943 . . 1 . . . . 167 P HD2 . 26660 1 473 . 1 1 37 37 PRO HD3 H 1 3.795 . . 1 . . . . 167 P HD3 . 26660 1 474 . 1 1 37 37 PRO C C 13 179.084 . . 1 . . . . 167 P C . 26660 1 475 . 1 1 37 37 PRO CA C 13 65.657 . . 1 . . . . 167 P CA . 26660 1 476 . 1 1 37 37 PRO CB C 13 32.470 . . 1 . . . . 167 P CB . 26660 1 477 . 1 1 37 37 PRO CG C 13 27.675 . . 1 . . . . 167 P CG . 26660 1 478 . 1 1 37 37 PRO CD C 13 49.860 . . 1 . . . . 167 P CD . 26660 1 479 . 1 1 38 38 THR H H 1 8.414 . . 1 . . . . 168 T H . 26660 1 480 . 1 1 38 38 THR HA H 1 4.392 . . 1 . . . . 168 T HA . 26660 1 481 . 1 1 38 38 THR HB H 1 4.680 . . 1 . . . . 168 T HB . 26660 1 482 . 1 1 38 38 THR HG21 H 1 1.404 . . 1 . . . . 168 T HG2 . 26660 1 483 . 1 1 38 38 THR HG22 H 1 1.404 . . 1 . . . . 168 T HG2 . 26660 1 484 . 1 1 38 38 THR HG23 H 1 1.404 . . 1 . . . . 168 T HG2 . 26660 1 485 . 1 1 38 38 THR C C 13 174.730 . . 1 . . . . 168 T C . 26660 1 486 . 1 1 38 38 THR CA C 13 62.982 . . 1 . . . . 168 T CA . 26660 1 487 . 1 1 38 38 THR CB C 13 68.846 . . 1 . . . . 168 T CB . 26660 1 488 . 1 1 38 38 THR CG2 C 13 21.676 . . 1 . . . . 168 T CG2 . 26660 1 489 . 1 1 38 38 THR N N 15 106.962 . . 1 . . . . 168 T N . 26660 1 490 . 1 1 39 39 ALA H H 1 8.113 . . 1 . . . . 169 A H . 26660 1 491 . 1 1 39 39 ALA HA H 1 4.137 . . 1 . . . . 169 A HA . 26660 1 492 . 1 1 39 39 ALA HB1 H 1 1.554 . . 1 . . . . 169 A HB . 26660 1 493 . 1 1 39 39 ALA HB2 H 1 1.554 . . 1 . . . . 169 A HB . 26660 1 494 . 1 1 39 39 ALA HB3 H 1 1.554 . . 1 . . . . 169 A HB . 26660 1 495 . 1 1 39 39 ALA C C 13 176.369 . . 1 . . . . 169 A C . 26660 1 496 . 1 1 39 39 ALA CA C 13 52.923 . . 1 . . . . 169 A CA . 26660 1 497 . 1 1 39 39 ALA CB C 13 19.161 . . 1 . . . . 169 A CB . 26660 1 498 . 1 1 39 39 ALA N N 15 121.702 . . 1 . . . . 169 A N . 26660 1 499 . 1 1 40 40 VAL H H 1 6.781 . . 1 . . . . 170 V H . 26660 1 500 . 1 1 40 40 VAL HA H 1 3.498 . . 1 . . . . 170 V HA . 26660 1 501 . 1 1 40 40 VAL HB H 1 2.133 . . 1 . . . . 170 V HB . 26660 1 502 . 1 1 40 40 VAL HG11 H 1 0.835 . . 2 . . . . 170 V HG# . 26660 1 503 . 1 1 40 40 VAL HG12 H 1 0.835 . . 2 . . . . 170 V HG# . 26660 1 504 . 1 1 40 40 VAL HG13 H 1 0.835 . . 2 . . . . 170 V HG# . 26660 1 505 . 1 1 40 40 VAL HG21 H 1 0.835 . . 2 . . . . 170 V HG# . 26660 1 506 . 1 1 40 40 VAL HG22 H 1 0.835 . . 2 . . . . 170 V HG# . 26660 1 507 . 1 1 40 40 VAL HG23 H 1 0.835 . . 2 . . . . 170 V HG# . 26660 1 508 . 1 1 40 40 VAL C C 13 173.392 . . 1 . . . . 170 V C . 26660 1 509 . 1 1 40 40 VAL CA C 13 65.825 . . 1 . . . . 170 V CA . 26660 1 510 . 1 1 40 40 VAL CB C 13 31.453 . . 1 . . . . 170 V CB . 26660 1 511 . 1 1 40 40 VAL CG1 C 13 21.193 . . 1 . . . . 170 V CG1 . 26660 1 512 . 1 1 40 40 VAL CG2 C 13 19.817 . . 1 . . . . 170 V CG2 . 26660 1 513 . 1 1 40 40 VAL N N 15 116.684 . . 1 . . . . 170 V N . 26660 1 514 . 1 1 41 41 ASN H H 1 7.796 . . 1 . . . . 171 N H . 26660 1 515 . 1 1 41 41 ASN HA H 1 4.414 . . 1 . . . . 171 N HA . 26660 1 516 . 1 1 41 41 ASN HB2 H 1 3.027 . . 1 . . . . 171 N HB2 . 26660 1 517 . 1 1 41 41 ASN HB3 H 1 2.206 . . 1 . . . . 171 N HB3 . 26660 1 518 . 1 1 41 41 ASN HD21 H 1 6.616 . . 1 . . . . 171 N HD21 . 26660 1 519 . 1 1 41 41 ASN HD22 H 1 5.805 . . 1 . . . . 171 N HD22 . 26660 1 520 . 1 1 41 41 ASN C C 13 172.777 . . 1 . . . . 171 N C . 26660 1 521 . 1 1 41 41 ASN CA C 13 54.303 . . 1 . . . . 171 N CA . 26660 1 522 . 1 1 41 41 ASN CB C 13 37.753 . . 1 . . . . 171 N CB . 26660 1 523 . 1 1 41 41 ASN N N 15 112.975 . . 1 . . . . 171 N N . 26660 1 524 . 1 1 41 41 ASN ND2 N 15 112.242 . . 1 . . . . 171 N ND2 . 26660 1 525 . 1 1 42 42 GLN H H 1 8.524 . . 1 . . . . 172 Q H . 26660 1 526 . 1 1 42 42 GLN HA H 1 5.161 . . 1 . . . . 172 Q HA . 26660 1 527 . 1 1 42 42 GLN HB2 H 1 2.843 . . 1 . . . . 172 Q HB2 . 26660 1 528 . 1 1 42 42 GLN HB3 H 1 2.503 . . 1 . . . . 172 Q HB3 . 26660 1 529 . 1 1 42 42 GLN HG2 H 1 2.180 . . 2 . . . . 172 Q HG# . 26660 1 530 . 1 1 42 42 GLN HG3 H 1 2.180 . . 2 . . . . 172 Q HG# . 26660 1 531 . 1 1 42 42 GLN C C 13 174.189 . . 1 . . . . 172 Q C . 26660 1 532 . 1 1 42 42 GLN CA C 13 53.598 . . 1 . . . . 172 Q CA . 26660 1 533 . 1 1 42 42 GLN CB C 13 30.478 . . 1 . . . . 172 Q CB . 26660 1 534 . 1 1 42 42 GLN CG C 13 33.748 . . 1 . . . . 172 Q CG . 26660 1 535 . 1 1 42 42 GLN N N 15 117.123 . . 1 . . . . 172 Q N . 26660 1 536 . 1 1 43 43 LEU H H 1 6.679 . . 1 . . . . 173 L H . 26660 1 537 . 1 1 43 43 LEU HA H 1 4.912 . . 1 . . . . 173 L HA . 26660 1 538 . 1 1 43 43 LEU HB2 H 1 1.405 . . 1 . . . . 173 L HB2 . 26660 1 539 . 1 1 43 43 LEU HB3 H 1 0.775 . . 1 . . . . 173 L HB3 . 26660 1 540 . 1 1 43 43 LEU HG H 1 1.246 . . 1 . . . . 173 L HG . 26660 1 541 . 1 1 43 43 LEU HD11 H 1 0.511 . . 1 . . . . 173 L HD1 . 26660 1 542 . 1 1 43 43 LEU HD12 H 1 0.511 . . 1 . . . . 173 L HD1 . 26660 1 543 . 1 1 43 43 LEU HD13 H 1 0.511 . . 1 . . . . 173 L HD1 . 26660 1 544 . 1 1 43 43 LEU HD21 H 1 0.016 . . 1 . . . . 173 L HD2 . 26660 1 545 . 1 1 43 43 LEU HD22 H 1 0.016 . . 1 . . . . 173 L HD2 . 26660 1 546 . 1 1 43 43 LEU HD23 H 1 0.016 . . 1 . . . . 173 L HD2 . 26660 1 547 . 1 1 43 43 LEU C C 13 176.384 . . 1 . . . . 173 L C . 26660 1 548 . 1 1 43 43 LEU CA C 13 52.728 . . 1 . . . . 173 L CA . 26660 1 549 . 1 1 43 43 LEU CB C 13 46.037 . . 1 . . . . 173 L CB . 26660 1 550 . 1 1 43 43 LEU CG C 13 26.358 . . 1 . . . . 173 L CG . 26660 1 551 . 1 1 43 43 LEU CD1 C 13 21.763 . . 2 . . . . 173 L CD# . 26660 1 552 . 1 1 43 43 LEU CD2 C 13 21.763 . . 2 . . . . 173 L CD# . 26660 1 553 . 1 1 43 43 LEU N N 15 118.514 . . 1 . . . . 173 L N . 26660 1 554 . 1 1 44 44 TRP H H 1 9.066 . . 1 . . . . 174 W H . 26660 1 555 . 1 1 44 44 TRP HA H 1 5.393 . . 1 . . . . 174 W HA . 26660 1 556 . 1 1 44 44 TRP HB2 H 1 3.117 . . 1 . . . . 174 W HB2 . 26660 1 557 . 1 1 44 44 TRP HB3 H 1 2.112 . . 1 . . . . 174 W HB3 . 26660 1 558 . 1 1 44 44 TRP HD1 H 1 7.610 . . 1 . . . . 174 W HD1 . 26660 1 559 . 1 1 44 44 TRP HE1 H 1 9.156 . . 1 . . . . 174 W HE1 . 26660 1 560 . 1 1 44 44 TRP HZ2 H 1 6.931 . . 1 . . . . 174 W HZ2 . 26660 1 561 . 1 1 44 44 TRP HZ3 H 1 7.245 . . 1 . . . . 174 W HZ3 . 26660 1 562 . 1 1 44 44 TRP HH2 H 1 6.728 . . 1 . . . . 174 W HH2 . 26660 1 563 . 1 1 44 44 TRP C C 13 172.601 . . 1 . . . . 174 W C . 26660 1 564 . 1 1 44 44 TRP CA C 13 55.558 . . 1 . . . . 174 W CA . 26660 1 565 . 1 1 44 44 TRP CB C 13 32.991 . . 1 . . . . 174 W CB . 26660 1 566 . 1 1 44 44 TRP CD1 C 13 129.873 . . 1 . . . . 174 W CD1 . 26660 1 567 . 1 1 44 44 TRP CZ2 C 13 111.513 . . 1 . . . . 174 W CZ2 . 26660 1 568 . 1 1 44 44 TRP CZ3 C 13 121.292 . . 1 . . . . 174 W CZ3 . 26660 1 569 . 1 1 44 44 TRP CH2 C 13 122.881 . . 1 . . . . 174 W CH2 . 26660 1 570 . 1 1 44 44 TRP N N 15 125.211 . . 1 . . . . 174 W N . 26660 1 571 . 1 1 44 44 TRP NE1 N 15 126.533 . . 1 . . . . 174 W NE1 . 26660 1 572 . 1 1 45 45 TYR H H 1 9.427 . . 1 . . . . 175 Y H . 26660 1 573 . 1 1 45 45 TYR HA H 1 5.226 . . 1 . . . . 175 Y HA . 26660 1 574 . 1 1 45 45 TYR HB2 H 1 3.002 . . 2 . . . . 175 Y HB# . 26660 1 575 . 1 1 45 45 TYR HB3 H 1 3.002 . . 2 . . . . 175 Y HB# . 26660 1 576 . 1 1 45 45 TYR HD1 H 1 6.887 . . 3 . . . . 175 Y HD# . 26660 1 577 . 1 1 45 45 TYR HD2 H 1 6.887 . . 3 . . . . 175 Y HD# . 26660 1 578 . 1 1 45 45 TYR HE1 H 1 6.772 . . 3 . . . . 175 Y HE# . 26660 1 579 . 1 1 45 45 TYR HE2 H 1 6.772 . . 3 . . . . 175 Y HE# . 26660 1 580 . 1 1 45 45 TYR C C 13 173.384 . . 1 . . . . 175 Y C . 26660 1 581 . 1 1 45 45 TYR CA C 13 56.150 . . 1 . . . . 175 Y CA . 26660 1 582 . 1 1 45 45 TYR CB C 13 41.397 . . 1 . . . . 175 Y CB . 26660 1 583 . 1 1 45 45 TYR CD1 C 13 133.666 . . 3 . . . . 175 Y CD# . 26660 1 584 . 1 1 45 45 TYR CD2 C 13 133.666 . . 3 . . . . 175 Y CD# . 26660 1 585 . 1 1 45 45 TYR CE1 C 13 117.923 . . 3 . . . . 175 Y CE# . 26660 1 586 . 1 1 45 45 TYR CE2 C 13 117.923 . . 3 . . . . 175 Y CE# . 26660 1 587 . 1 1 45 45 TYR N N 15 115.977 . . 1 . . . . 175 Y N . 26660 1 588 . 1 1 46 46 THR H H 1 8.925 . . 1 . . . . 176 T H . 26660 1 589 . 1 1 46 46 THR HA H 1 5.277 . . 1 . . . . 176 T HA . 26660 1 590 . 1 1 46 46 THR HB H 1 4.073 . . 1 . . . . 176 T HB . 26660 1 591 . 1 1 46 46 THR HG21 H 1 1.402 . . 1 . . . . 176 T HG2 . 26660 1 592 . 1 1 46 46 THR HG22 H 1 1.402 . . 1 . . . . 176 T HG2 . 26660 1 593 . 1 1 46 46 THR HG23 H 1 1.402 . . 1 . . . . 176 T HG2 . 26660 1 594 . 1 1 46 46 THR C C 13 175.426 . . 1 . . . . 176 T C . 26660 1 595 . 1 1 46 46 THR CA C 13 58.958 . . 1 . . . . 176 T CA . 26660 1 596 . 1 1 46 46 THR CB C 13 71.008 . . 1 . . . . 176 T CB . 26660 1 597 . 1 1 46 46 THR CG2 C 13 22.393 . . 1 . . . . 176 T CG2 . 26660 1 598 . 1 1 46 46 THR N N 15 108.147 . . 1 . . . . 176 T N . 26660 1 599 . 1 1 47 47 ASP H H 1 8.956 . . 1 . . . . 177 D H . 26660 1 600 . 1 1 47 47 ASP HA H 1 4.768 . . 1 . . . . 177 D HA . 26660 1 601 . 1 1 47 47 ASP HB2 H 1 2.520 . . 2 . . . . 177 D HB# . 26660 1 602 . 1 1 47 47 ASP HB3 H 1 2.520 . . 2 . . . . 177 D HB# . 26660 1 603 . 1 1 47 47 ASP CA C 13 52.682 . . 1 . . . . 177 D CA . 26660 1 604 . 1 1 47 47 ASP CB C 13 41.013 . . 1 . . . . 177 D CB . 26660 1 605 . 1 1 47 47 ASP N N 15 124.768 . . 1 . . . . 177 D N . 26660 1 606 . 1 1 48 48 GLN H H 1 8.678 . . 1 . . . . 178 Q H . 26660 1 607 . 1 1 48 48 GLN HA H 1 4.246 . . 1 . . . . 178 Q HA . 26660 1 608 . 1 1 48 48 GLN HB2 H 1 2.285 . . 2 . . . . 178 Q HB# . 26660 1 609 . 1 1 48 48 GLN HB3 H 1 2.285 . . 2 . . . . 178 Q HB# . 26660 1 610 . 1 1 48 48 GLN HG2 H 1 2.625 . . 2 . . . . 178 Q HG# . 26660 1 611 . 1 1 48 48 GLN HG3 H 1 2.625 . . 2 . . . . 178 Q HG# . 26660 1 612 . 1 1 48 48 GLN HE21 H 1 7.797 . . 1 . . . . 178 Q HE21 . 26660 1 613 . 1 1 48 48 GLN HE22 H 1 7.084 . . 1 . . . . 178 Q HE22 . 26660 1 614 . 1 1 48 48 GLN C C 13 177.350 . . 1 . . . . 178 Q C . 26660 1 615 . 1 1 48 48 GLN CA C 13 59.193 . . 1 . . . . 178 Q CA . 26660 1 616 . 1 1 48 48 GLN CB C 13 28.503 . . 1 . . . . 178 Q CB . 26660 1 617 . 1 1 48 48 GLN CG C 13 34.334 . . 1 . . . . 178 Q CG . 26660 1 618 . 1 1 48 48 GLN N N 15 116.779 . . 1 . . . . 178 Q N . 26660 1 619 . 1 1 48 48 GLN NE2 N 15 112.983 . . 1 . . . . 178 Q NE2 . 26660 1 620 . 1 1 49 49 GLN H H 1 8.589 . . 1 . . . . 179 Q H . 26660 1 621 . 1 1 49 49 GLN HA H 1 4.555 . . 1 . . . . 179 Q HA . 26660 1 622 . 1 1 49 49 GLN HB2 H 1 2.318 . . 2 . . . . 179 Q HB# . 26660 1 623 . 1 1 49 49 GLN HB3 H 1 2.318 . . 2 . . . . 179 Q HB# . 26660 1 624 . 1 1 49 49 GLN HG2 H 1 2.506 . . 2 . . . . 179 Q HG# . 26660 1 625 . 1 1 49 49 GLN HG3 H 1 2.506 . . 2 . . . . 179 Q HG# . 26660 1 626 . 1 1 49 49 GLN HE21 H 1 7.777 . . 1 . . . . 179 Q HE21 . 26660 1 627 . 1 1 49 49 GLN HE22 H 1 6.958 . . 1 . . . . 179 Q HE22 . 26660 1 628 . 1 1 49 49 GLN C C 13 175.437 . . 1 . . . . 179 Q C . 26660 1 629 . 1 1 49 49 GLN CA C 13 56.148 . . 1 . . . . 179 Q CA . 26660 1 630 . 1 1 49 49 GLN CB C 13 29.622 . . 1 . . . . 179 Q CB . 26660 1 631 . 1 1 49 49 GLN CG C 13 35.270 . . 1 . . . . 179 Q CG . 26660 1 632 . 1 1 49 49 GLN N N 15 118.351 . . 1 . . . . 179 Q N . 26660 1 633 . 1 1 49 49 GLN NE2 N 15 111.831 . . 1 . . . . 179 Q NE2 . 26660 1 634 . 1 1 50 50 GLY H H 1 8.319 . . 1 . . . . 180 G H . 26660 1 635 . 1 1 50 50 GLY HA2 H 1 4.410 . . 1 . . . . 180 G HA2 . 26660 1 636 . 1 1 50 50 GLY HA3 H 1 3.688 . . 1 . . . . 180 G HA3 . 26660 1 637 . 1 1 50 50 GLY C C 13 172.985 . . 1 . . . . 180 G C . 26660 1 638 . 1 1 50 50 GLY CA C 13 45.114 . . 1 . . . . 180 G CA . 26660 1 639 . 1 1 50 50 GLY N N 15 108.187 . . 1 . . . . 180 G N . 26660 1 640 . 1 1 51 51 VAL H H 1 8.208 . . 1 . . . . 181 V H . 26660 1 641 . 1 1 51 51 VAL HA H 1 4.213 . . 1 . . . . 181 V HA . 26660 1 642 . 1 1 51 51 VAL HB H 1 2.482 . . 1 . . . . 181 V HB . 26660 1 643 . 1 1 51 51 VAL HG11 H 1 1.128 . . 1 . . . . 181 V HG1 . 26660 1 644 . 1 1 51 51 VAL HG12 H 1 1.128 . . 1 . . . . 181 V HG1 . 26660 1 645 . 1 1 51 51 VAL HG13 H 1 1.128 . . 1 . . . . 181 V HG1 . 26660 1 646 . 1 1 51 51 VAL HG21 H 1 0.837 . . 1 . . . . 181 V HG2 . 26660 1 647 . 1 1 51 51 VAL HG22 H 1 0.837 . . 1 . . . . 181 V HG2 . 26660 1 648 . 1 1 51 51 VAL HG23 H 1 0.837 . . 1 . . . . 181 V HG2 . 26660 1 649 . 1 1 51 51 VAL C C 13 176.571 . . 1 . . . . 181 V C . 26660 1 650 . 1 1 51 51 VAL CA C 13 63.119 . . 1 . . . . 181 V CA . 26660 1 651 . 1 1 51 51 VAL CB C 13 31.304 . . 1 . . . . 181 V CB . 26660 1 652 . 1 1 51 51 VAL CG1 C 13 22.963 . . 2 . . . . 181 V CG# . 26660 1 653 . 1 1 51 51 VAL CG2 C 13 22.963 . . 2 . . . . 181 V CG# . 26660 1 654 . 1 1 51 51 VAL N N 15 123.156 . . 1 . . . . 181 V N . 26660 1 655 . 1 1 52 52 ILE H H 1 8.942 . . 1 . . . . 182 I H . 26660 1 656 . 1 1 52 52 ILE HA H 1 4.305 . . 1 . . . . 182 I HA . 26660 1 657 . 1 1 52 52 ILE HB H 1 1.521 . . 1 . . . . 182 I HB . 26660 1 658 . 1 1 52 52 ILE HG12 H 1 1.426 . . 1 . . . . 182 I HG12 . 26660 1 659 . 1 1 52 52 ILE HG13 H 1 1.149 . . 1 . . . . 182 I HG13 . 26660 1 660 . 1 1 52 52 ILE HG21 H 1 0.869 . . 1 . . . . 182 I HG2 . 26660 1 661 . 1 1 52 52 ILE HG22 H 1 0.869 . . 1 . . . . 182 I HG2 . 26660 1 662 . 1 1 52 52 ILE HG23 H 1 0.869 . . 1 . . . . 182 I HG2 . 26660 1 663 . 1 1 52 52 ILE HD11 H 1 0.724 . . 1 . . . . 182 I HD1 . 26660 1 664 . 1 1 52 52 ILE HD12 H 1 0.724 . . 1 . . . . 182 I HD1 . 26660 1 665 . 1 1 52 52 ILE HD13 H 1 0.724 . . 1 . . . . 182 I HD1 . 26660 1 666 . 1 1 52 52 ILE C C 13 175.049 . . 1 . . . . 182 I C . 26660 1 667 . 1 1 52 52 ILE CA C 13 63.098 . . 1 . . . . 182 I CA . 26660 1 668 . 1 1 52 52 ILE CB C 13 39.624 . . 1 . . . . 182 I CB . 26660 1 669 . 1 1 52 52 ILE CG2 C 13 19.159 . . 1 . . . . 182 I CG2 . 26660 1 670 . 1 1 52 52 ILE CD1 C 13 15.529 . . 1 . . . . 182 I CD1 . 26660 1 671 . 1 1 52 52 ILE N N 15 128.043 . . 1 . . . . 182 I N . 26660 1 672 . 1 1 53 53 ARG H H 1 9.043 . . 1 . . . . 183 R H . 26660 1 673 . 1 1 53 53 ARG HA H 1 5.298 . . 1 . . . . 183 R HA . 26660 1 674 . 1 1 53 53 ARG HB2 H 1 1.290 . . 1 . . . . 183 R HB2 . 26660 1 675 . 1 1 53 53 ARG HB3 H 1 0.402 . . 1 . . . . 183 R HB3 . 26660 1 676 . 1 1 53 53 ARG HG2 H 1 1.514 . . 2 . . . . 183 R HG# . 26660 1 677 . 1 1 53 53 ARG HG3 H 1 1.514 . . 2 . . . . 183 R HG# . 26660 1 678 . 1 1 53 53 ARG HD2 H 1 3.249 . . 1 . . . . 183 R HD2 . 26660 1 679 . 1 1 53 53 ARG HD3 H 1 2.961 . . 1 . . . . 183 R HD3 . 26660 1 680 . 1 1 53 53 ARG C C 13 176.358 . . 1 . . . . 183 R C . 26660 1 681 . 1 1 53 53 ARG CA C 13 51.767 . . 1 . . . . 183 R CA . 26660 1 682 . 1 1 53 53 ARG CB C 13 34.865 . . 1 . . . . 183 R CB . 26660 1 683 . 1 1 53 53 ARG CD C 13 42.792 . . 1 . . . . 183 R CD . 26660 1 684 . 1 1 53 53 ARG N N 15 122.891 . . 1 . . . . 183 R N . 26660 1 685 . 1 1 54 54 SER H H 1 9.066 . . 1 . . . . 184 S H . 26660 1 686 . 1 1 54 54 SER HA H 1 4.169 . . 1 . . . . 184 S HA . 26660 1 687 . 1 1 54 54 SER HB2 H 1 3.800 . . 1 . . . . 184 S HB2 . 26660 1 688 . 1 1 54 54 SER HB3 H 1 3.598 . . 1 . . . . 184 S HB3 . 26660 1 689 . 1 1 54 54 SER C C 13 177.427 . . 1 . . . . 184 S C . 26660 1 690 . 1 1 54 54 SER CA C 13 57.468 . . 1 . . . . 184 S CA . 26660 1 691 . 1 1 54 54 SER CB C 13 63.729 . . 1 . . . . 184 S CB . 26660 1 692 . 1 1 54 54 SER N N 15 112.254 . . 1 . . . . 184 S N . 26660 1 693 . 1 1 55 55 LYS H H 1 8.517 . . 1 . . . . 185 K H . 26660 1 694 . 1 1 55 55 LYS HA H 1 4.026 . . 1 . . . . 185 K HA . 26660 1 695 . 1 1 55 55 LYS C C 13 176.834 . . 1 . . . . 185 K C . 26660 1 696 . 1 1 55 55 LYS CA C 13 59.185 . . 1 . . . . 185 K CA . 26660 1 697 . 1 1 55 55 LYS CB C 13 33.745 . . 1 . . . . 185 K CB . 26660 1 698 . 1 1 55 55 LYS N N 15 128.454 . . 1 . . . . 185 K N . 26660 1 699 . 1 1 56 56 LEU H H 1 8.125 . . 1 . . . . 186 L H . 26660 1 700 . 1 1 56 56 LEU HA H 1 3.637 . . 1 . . . . 186 L HA . 26660 1 701 . 1 1 56 56 LEU HB2 H 1 1.538 . . 1 . . . . 186 L HB2 . 26660 1 702 . 1 1 56 56 LEU HB3 H 1 0.893 . . 1 . . . . 186 L HB3 . 26660 1 703 . 1 1 56 56 LEU HG H 1 1.114 . . 1 . . . . 186 L HG . 26660 1 704 . 1 1 56 56 LEU HD11 H 1 0.772 . . 1 . . . . 186 L HD1 . 26660 1 705 . 1 1 56 56 LEU HD12 H 1 0.772 . . 1 . . . . 186 L HD1 . 26660 1 706 . 1 1 56 56 LEU HD13 H 1 0.772 . . 1 . . . . 186 L HD1 . 26660 1 707 . 1 1 56 56 LEU HD21 H 1 0.464 . . 1 . . . . 186 L HD2 . 26660 1 708 . 1 1 56 56 LEU HD22 H 1 0.464 . . 1 . . . . 186 L HD2 . 26660 1 709 . 1 1 56 56 LEU HD23 H 1 0.464 . . 1 . . . . 186 L HD2 . 26660 1 710 . 1 1 56 56 LEU CA C 13 57.580 . . 1 . . . . 186 L CA . 26660 1 711 . 1 1 56 56 LEU CB C 13 42.647 . . 1 . . . . 186 L CB . 26660 1 712 . 1 1 56 56 LEU N N 15 118.152 . . 1 . . . . 186 L N . 26660 1 713 . 1 1 57 57 ASN H H 1 6.464 . . 1 . . . . 187 N H . 26660 1 714 . 1 1 57 57 ASN HA H 1 4.583 . . 1 . . . . 187 N HA . 26660 1 715 . 1 1 57 57 ASN C C 13 173.966 . . 1 . . . . 187 N C . 26660 1 716 . 1 1 57 57 ASN CA C 13 51.697 . . 1 . . . . 187 N CA . 26660 1 717 . 1 1 57 57 ASN CB C 13 38.264 . . 1 . . . . 187 N CB . 26660 1 718 . 1 1 57 57 ASN N N 15 109.352 . . 1 . . . . 187 N N . 26660 1 719 . 1 1 58 58 ASP H H 1 8.490 . . 1 . . . . 188 D H . 26660 1 720 . 1 1 58 58 ASP HA H 1 4.923 . . 1 . . . . 188 D HA . 26660 1 721 . 1 1 58 58 ASP HB2 H 1 3.304 . . 1 . . . . 188 D HB2 . 26660 1 722 . 1 1 58 58 ASP HB3 H 1 3.197 . . 1 . . . . 188 D HB3 . 26660 1 723 . 1 1 58 58 ASP C C 13 176.534 . . 1 . . . . 188 D C . 26660 1 724 . 1 1 58 58 ASP CA C 13 57.195 . . 1 . . . . 188 D CA . 26660 1 725 . 1 1 58 58 ASP CB C 13 40.794 . . 1 . . . . 188 D CB . 26660 1 726 . 1 1 58 58 ASP N N 15 112.386 . . 1 . . . . 188 D N . 26660 1 727 . 1 1 59 59 PHE H H 1 8.164 . . 1 . . . . 189 F H . 26660 1 728 . 1 1 59 59 PHE HA H 1 5.103 . . 1 . . . . 189 F HA . 26660 1 729 . 1 1 59 59 PHE HB2 H 1 3.547 . . 1 . . . . 189 F HB2 . 26660 1 730 . 1 1 59 59 PHE HB3 H 1 3.321 . . 1 . . . . 189 F HB3 . 26660 1 731 . 1 1 59 59 PHE HD1 H 1 7.091 . . 3 . . . . 189 F HD# . 26660 1 732 . 1 1 59 59 PHE HD2 H 1 7.091 . . 3 . . . . 189 F HD# . 26660 1 733 . 1 1 59 59 PHE HE1 H 1 7.355 . . 3 . . . . 189 F HE# . 26660 1 734 . 1 1 59 59 PHE HE2 H 1 7.355 . . 3 . . . . 189 F HE# . 26660 1 735 . 1 1 59 59 PHE HZ H 1 7.481 . . 1 . . . . 189 F HZ . 26660 1 736 . 1 1 59 59 PHE C C 13 174.855 . . 1 . . . . 189 F C . 26660 1 737 . 1 1 59 59 PHE CA C 13 55.297 . . 1 . . . . 189 F CA . 26660 1 738 . 1 1 59 59 PHE CB C 13 37.160 . . 1 . . . . 189 F CB . 26660 1 739 . 1 1 59 59 PHE CD1 C 13 129.263 . . 3 . . . . 189 F CD# . 26660 1 740 . 1 1 59 59 PHE CD2 C 13 129.263 . . 3 . . . . 189 F CD# . 26660 1 741 . 1 1 59 59 PHE CE1 C 13 130.747 . . 3 . . . . 189 F CE# . 26660 1 742 . 1 1 59 59 PHE CE2 C 13 130.747 . . 3 . . . . 189 F CE# . 26660 1 743 . 1 1 59 59 PHE CZ C 13 129.027 . . 1 . . . . 189 F CZ . 26660 1 744 . 1 1 59 59 PHE N N 15 120.628 . . 1 . . . . 189 F N . 26660 1 745 . 1 1 60 60 ALA H H 1 8.828 . . 1 . . . . 190 A H . 26660 1 746 . 1 1 60 60 ALA HA H 1 5.259 . . 1 . . . . 190 A HA . 26660 1 747 . 1 1 60 60 ALA HB1 H 1 2.063 . . 1 . . . . 190 A HB . 26660 1 748 . 1 1 60 60 ALA HB2 H 1 2.063 . . 1 . . . . 190 A HB . 26660 1 749 . 1 1 60 60 ALA HB3 H 1 2.063 . . 1 . . . . 190 A HB . 26660 1 750 . 1 1 60 60 ALA C C 13 176.702 . . 1 . . . . 190 A C . 26660 1 751 . 1 1 60 60 ALA CA C 13 50.374 . . 1 . . . . 190 A CA . 26660 1 752 . 1 1 60 60 ALA CB C 13 22.858 . . 1 . . . . 190 A CB . 26660 1 753 . 1 1 60 60 ALA N N 15 120.848 . . 1 . . . . 190 A N . 26660 1 754 . 1 1 61 61 ILE H H 1 8.078 . . 1 . . . . 191 I H . 26660 1 755 . 1 1 61 61 ILE HA H 1 3.789 . . 1 . . . . 191 I HA . 26660 1 756 . 1 1 61 61 ILE HB H 1 1.743 . . 1 . . . . 191 I HB . 26660 1 757 . 1 1 61 61 ILE HG12 H 1 0.453 . . 1 . . . . 191 I HG1# . 26660 1 758 . 1 1 61 61 ILE HG13 H 1 0.453 . . 1 . . . . 191 I HG1# . 26660 1 759 . 1 1 61 61 ILE HG21 H 1 0.073 . . 1 . . . . 191 I HG2 . 26660 1 760 . 1 1 61 61 ILE HG22 H 1 0.073 . . 1 . . . . 191 I HG2 . 26660 1 761 . 1 1 61 61 ILE HG23 H 1 0.073 . . 1 . . . . 191 I HG2 . 26660 1 762 . 1 1 61 61 ILE HD11 H 1 -0.015 . . 1 . . . . 191 I HD1 . 26660 1 763 . 1 1 61 61 ILE HD12 H 1 -0.015 . . 1 . . . . 191 I HD1 . 26660 1 764 . 1 1 61 61 ILE HD13 H 1 -0.015 . . 1 . . . . 191 I HD1 . 26660 1 765 . 1 1 61 61 ILE C C 13 173.373 . . 1 . . . . 191 I C . 26660 1 766 . 1 1 61 61 ILE CA C 13 62.832 . . 1 . . . . 191 I CA . 26660 1 767 . 1 1 61 61 ILE CB C 13 38.531 . . 1 . . . . 191 I CB . 26660 1 768 . 1 1 61 61 ILE CG1 C 13 28.502 . . 1 . . . . 191 I CG1 . 26660 1 769 . 1 1 61 61 ILE CG2 C 13 17.197 . . 1 . . . . 191 I CG2 . 26660 1 770 . 1 1 61 61 ILE CD1 C 13 12.332 . . 1 . . . . 191 I CD1 . 26660 1 771 . 1 1 61 61 ILE N N 15 119.711 . . 1 . . . . 191 I N . 26660 1 772 . 1 1 62 62 ASP H H 1 9.230 . . 1 . . . . 192 D H . 26660 1 773 . 1 1 62 62 ASP HA H 1 5.515 . . 1 . . . . 192 D HA . 26660 1 774 . 1 1 62 62 ASP HB2 H 1 3.062 . . 1 . . . . 192 D HB2 . 26660 1 775 . 1 1 62 62 ASP HB3 H 1 2.168 . . 1 . . . . 192 D HB3 . 26660 1 776 . 1 1 62 62 ASP C C 13 175.737 . . 1 . . . . 192 D C . 26660 1 777 . 1 1 62 62 ASP CA C 13 53.240 . . 1 . . . . 192 D CA . 26660 1 778 . 1 1 62 62 ASP CB C 13 45.825 . . 1 . . . . 192 D CB . 26660 1 779 . 1 1 62 62 ASP N N 15 122.849 . . 1 . . . . 192 D N . 26660 1 780 . 1 1 63 63 ALA H H 1 8.121 . . 1 . . . . 193 A H . 26660 1 781 . 1 1 63 63 ALA HA H 1 5.095 . . 1 . . . . 193 A HA . 26660 1 782 . 1 1 63 63 ALA HB1 H 1 1.562 . . 1 . . . . 193 A HB . 26660 1 783 . 1 1 63 63 ALA HB2 H 1 1.562 . . 1 . . . . 193 A HB . 26660 1 784 . 1 1 63 63 ALA HB3 H 1 1.562 . . 1 . . . . 193 A HB . 26660 1 785 . 1 1 63 63 ALA C C 13 176.812 . . 1 . . . . 193 A C . 26660 1 786 . 1 1 63 63 ALA CA C 13 50.102 . . 1 . . . . 193 A CA . 26660 1 787 . 1 1 63 63 ALA CB C 13 21.789 . . 1 . . . . 193 A CB . 26660 1 788 . 1 1 63 63 ALA N N 15 128.799 . . 1 . . . . 193 A N . 26660 1 789 . 1 1 64 64 SER H H 1 9.198 . . 1 . . . . 194 S H . 26660 1 790 . 1 1 64 64 SER HA H 1 4.212 . . 1 . . . . 194 S HA . 26660 1 791 . 1 1 64 64 SER HB2 H 1 3.692 . . 2 . . . . 194 S HB# . 26660 1 792 . 1 1 64 64 SER HB3 H 1 3.692 . . 2 . . . . 194 S HB# . 26660 1 793 . 1 1 64 64 SER C C 13 174.456 . . 1 . . . . 194 S C . 26660 1 794 . 1 1 64 64 SER CA C 13 62.127 . . 1 . . . . 194 S CA . 26660 1 795 . 1 1 64 64 SER CB C 13 62.361 . . 1 . . . . 194 S CB . 26660 1 796 . 1 1 64 64 SER N N 15 117.977 . . 1 . . . . 194 S N . 26660 1 797 . 1 1 65 65 HIS H H 1 9.053 . . 1 . . . . 195 H H . 26660 1 798 . 1 1 65 65 HIS HA H 1 5.068 . . 1 . . . . 195 H HA . 26660 1 799 . 1 1 65 65 HIS HB2 H 1 3.630 . . 1 . . . . 195 H HB2 . 26660 1 800 . 1 1 65 65 HIS HB3 H 1 3.289 . . 1 . . . . 195 H HB3 . 26660 1 801 . 1 1 65 65 HIS HD2 H 1 7.351 . . 1 . . . . 195 H HD2 . 26660 1 802 . 1 1 65 65 HIS HE1 H 1 8.525 . . 1 . . . . 195 H HE1 . 26660 1 803 . 1 1 65 65 HIS C C 13 173.520 . . 1 . . . . 195 H C . 26660 1 804 . 1 1 65 65 HIS CA C 13 53.814 . . 1 . . . . 195 H CA . 26660 1 805 . 1 1 65 65 HIS CB C 13 29.912 . . 1 . . . . 195 H CB . 26660 1 806 . 1 1 65 65 HIS CD2 C 13 120.539 . . 1 . . . . 195 H CD2 . 26660 1 807 . 1 1 65 65 HIS CE1 C 13 136.354 . . 1 . . . . 195 H CE1 . 26660 1 808 . 1 1 65 65 HIS N N 15 120.519 . . 1 . . . . 195 H N . 26660 1 809 . 1 1 66 66 GLU H H 1 8.639 . . 1 . . . . 196 E H . 26660 1 810 . 1 1 66 66 GLU HA H 1 4.153 . . 1 . . . . 196 E HA . 26660 1 811 . 1 1 66 66 GLU HB2 H 1 2.244 . . 2 . . . . 196 E HB# . 26660 1 812 . 1 1 66 66 GLU HB3 H 1 2.244 . . 2 . . . . 196 E HB# . 26660 1 813 . 1 1 66 66 GLU HG2 H 1 2.462 . . 2 . . . . 196 E HG# . 26660 1 814 . 1 1 66 66 GLU HG3 H 1 2.462 . . 2 . . . . 196 E HG# . 26660 1 815 . 1 1 66 66 GLU C C 13 176.731 . . 1 . . . . 196 E C . 26660 1 816 . 1 1 66 66 GLU CA C 13 59.931 . . 1 . . . . 196 E CA . 26660 1 817 . 1 1 66 66 GLU CB C 13 29.894 . . 1 . . . . 196 E CB . 26660 1 818 . 1 1 66 66 GLU CG C 13 36.887 . . 1 . . . . 196 E CG . 26660 1 819 . 1 1 66 66 GLU N N 15 118.313 . . 1 . . . . 196 E N . 26660 1 820 . 1 1 67 67 GLN H H 1 7.851 . . 1 . . . . 197 Q H . 26660 1 821 . 1 1 67 67 GLN HA H 1 5.146 . . 1 . . . . 197 Q HA . 26660 1 822 . 1 1 67 67 GLN HB2 H 1 2.166 . . 2 . . . . 197 Q HB# . 26660 1 823 . 1 1 67 67 GLN HB3 H 1 2.166 . . 2 . . . . 197 Q HB# . 26660 1 824 . 1 1 67 67 GLN HG2 H 1 2.381 . . 2 . . . . 197 Q HG# . 26660 1 825 . 1 1 67 67 GLN HG3 H 1 2.381 . . 2 . . . . 197 Q HG# . 26660 1 826 . 1 1 67 67 GLN HE21 H 1 7.777 . . 1 . . . . 197 Q HE21 . 26660 1 827 . 1 1 67 67 GLN HE22 H 1 6.830 . . 1 . . . . 197 Q HE22 . 26660 1 828 . 1 1 67 67 GLN C C 13 177.090 . . 1 . . . . 197 Q C . 26660 1 829 . 1 1 67 67 GLN CA C 13 54.363 . . 1 . . . . 197 Q CA . 26660 1 830 . 1 1 67 67 GLN CB C 13 30.041 . . 1 . . . . 197 Q CB . 26660 1 831 . 1 1 67 67 GLN CG C 13 33.858 . . 1 . . . . 197 Q CG . 26660 1 832 . 1 1 67 67 GLN N N 15 114.646 . . 1 . . . . 197 Q N . 26660 1 833 . 1 1 67 67 GLN NE2 N 15 111.822 . . 1 . . . . 197 Q NE2 . 26660 1 834 . 1 1 68 68 ILE H H 1 8.544 . . 1 . . . . 198 I H . 26660 1 835 . 1 1 68 68 ILE HA H 1 4.767 . . 1 . . . . 198 I HA . 26660 1 836 . 1 1 68 68 ILE HB H 1 1.821 . . 1 . . . . 198 I HB . 26660 1 837 . 1 1 68 68 ILE HG12 H 1 1.355 . . 1 . . . . 198 I HG1# . 26660 1 838 . 1 1 68 68 ILE HG13 H 1 1.355 . . 1 . . . . 198 I HG1# . 26660 1 839 . 1 1 68 68 ILE HG21 H 1 0.730 . . 1 . . . . 198 I HG2 . 26660 1 840 . 1 1 68 68 ILE HG22 H 1 0.730 . . 1 . . . . 198 I HG2 . 26660 1 841 . 1 1 68 68 ILE HG23 H 1 0.730 . . 1 . . . . 198 I HG2 . 26660 1 842 . 1 1 68 68 ILE HD11 H 1 0.588 . . 1 . . . . 198 I HD1 . 26660 1 843 . 1 1 68 68 ILE HD12 H 1 0.588 . . 1 . . . . 198 I HD1 . 26660 1 844 . 1 1 68 68 ILE HD13 H 1 0.588 . . 1 . . . . 198 I HD1 . 26660 1 845 . 1 1 68 68 ILE C C 13 175.298 . . 1 . . . . 198 I C . 26660 1 846 . 1 1 68 68 ILE CA C 13 62.373 . . 1 . . . . 198 I CA . 26660 1 847 . 1 1 68 68 ILE CB C 13 38.263 . . 1 . . . . 198 I CB . 26660 1 848 . 1 1 68 68 ILE CG2 C 13 19.181 . . 1 . . . . 198 I CG2 . 26660 1 849 . 1 1 68 68 ILE CD1 C 13 13.869 . . 1 . . . . 198 I CD1 . 26660 1 850 . 1 1 68 68 ILE N N 15 121.182 . . 1 . . . . 198 I N . 26660 1 851 . 1 1 69 69 GLU H H 1 8.740 . . 1 . . . . 199 E H . 26660 1 852 . 1 1 69 69 GLU HA H 1 5.555 . . 1 . . . . 199 E HA . 26660 1 853 . 1 1 69 69 GLU HB2 H 1 2.093 . . 1 . . . . 199 E HB2 . 26660 1 854 . 1 1 69 69 GLU HB3 H 1 1.807 . . 1 . . . . 199 E HB3 . 26660 1 855 . 1 1 69 69 GLU HG2 H 1 2.467 . . 1 . . . . 199 E HG2 . 26660 1 856 . 1 1 69 69 GLU HG3 H 1 2.230 . . 1 . . . . 199 E HG3 . 26660 1 857 . 1 1 69 69 GLU C C 13 174.800 . . 1 . . . . 199 E C . 26660 1 858 . 1 1 69 69 GLU CA C 13 53.981 . . 1 . . . . 199 E CA . 26660 1 859 . 1 1 69 69 GLU CB C 13 35.040 . . 1 . . . . 199 E CB . 26660 1 860 . 1 1 69 69 GLU CG C 13 35.497 . . 1 . . . . 199 E CG . 26660 1 861 . 1 1 69 69 GLU N N 15 120.246 . . 1 . . . . 199 E N . 26660 1 862 . 1 1 70 70 THR H H 1 9.039 . . 1 . . . . 200 T H . 26660 1 863 . 1 1 70 70 THR HA H 1 5.459 . . 1 . . . . 200 T HA . 26660 1 864 . 1 1 70 70 THR HB H 1 4.691 . . 1 . . . . 200 T HB . 26660 1 865 . 1 1 70 70 THR HG21 H 1 1.525 . . 1 . . . . 200 T HG2 . 26660 1 866 . 1 1 70 70 THR HG22 H 1 1.525 . . 1 . . . . 200 T HG2 . 26660 1 867 . 1 1 70 70 THR HG23 H 1 1.525 . . 1 . . . . 200 T HG2 . 26660 1 868 . 1 1 70 70 THR C C 13 176.307 . . 1 . . . . 200 T C . 26660 1 869 . 1 1 70 70 THR CA C 13 59.959 . . 1 . . . . 200 T CA . 26660 1 870 . 1 1 70 70 THR CB C 13 70.284 . . 1 . . . . 200 T CB . 26660 1 871 . 1 1 70 70 THR CG2 C 13 23.936 . . 1 . . . . 200 T CG2 . 26660 1 872 . 1 1 70 70 THR N N 15 110.564 . . 1 . . . . 200 T N . 26660 1 873 . 1 1 71 71 GLN H H 1 8.778 . . 1 . . . . 201 Q H . 26660 1 874 . 1 1 71 71 GLN HA H 1 4.644 . . 1 . . . . 201 Q HA . 26660 1 875 . 1 1 71 71 GLN HG2 H 1 2.472 . . 2 . . . . 201 Q HG# . 26660 1 876 . 1 1 71 71 GLN HG3 H 1 2.472 . . 2 . . . . 201 Q HG# . 26660 1 877 . 1 1 71 71 GLN HE21 H 1 7.990 . . 1 . . . . 201 Q HE21 . 26660 1 878 . 1 1 71 71 GLN HE22 H 1 6.833 . . 1 . . . . 201 Q HE22 . 26660 1 879 . 1 1 71 71 GLN CA C 13 54.016 . . 1 . . . . 201 Q CA . 26660 1 880 . 1 1 71 71 GLN CB C 13 34.027 . . 1 . . . . 201 Q CB . 26660 1 881 . 1 1 71 71 GLN N N 15 121.005 . . 1 . . . . 201 Q N . 26660 1 882 . 1 1 71 71 GLN NE2 N 15 108.556 . . 1 . . . . 201 Q NE2 . 26660 1 883 . 1 1 72 72 PRO HA H 1 4.268 . . 1 . . . . 202 P HA . 26660 1 884 . 1 1 72 72 PRO HB2 H 1 2.225 . . 1 . . . . 202 P HB2 . 26660 1 885 . 1 1 72 72 PRO HB3 H 1 1.832 . . 1 . . . . 202 P HB3 . 26660 1 886 . 1 1 72 72 PRO HG2 H 1 2.586 . . 1 . . . . 202 P HG2 . 26660 1 887 . 1 1 72 72 PRO HG3 H 1 1.966 . . 1 . . . . 202 P HG3 . 26660 1 888 . 1 1 72 72 PRO HD2 H 1 3.937 . . 2 . . . . 202 P HD# . 26660 1 889 . 1 1 72 72 PRO HD3 H 1 3.937 . . 2 . . . . 202 P HD# . 26660 1 890 . 1 1 72 72 PRO C C 13 176.102 . . 1 . . . . 202 P C . 26660 1 891 . 1 1 72 72 PRO CA C 13 62.297 . . 1 . . . . 202 P CA . 26660 1 892 . 1 1 72 72 PRO CB C 13 31.613 . . 1 . . . . 202 P CB . 26660 1 893 . 1 1 72 72 PRO CG C 13 27.492 . . 1 . . . . 202 P CG . 26660 1 894 . 1 1 72 72 PRO CD C 13 49.911 . . 1 . . . . 202 P CD . 26660 1 895 . 1 1 73 73 PHE H H 1 9.819 . . 1 . . . . 203 F H . 26660 1 896 . 1 1 73 73 PHE HA H 1 3.931 . . 1 . . . . 203 F HA . 26660 1 897 . 1 1 73 73 PHE HB2 H 1 3.218 . . 1 . . . . 203 F HB2 . 26660 1 898 . 1 1 73 73 PHE HB3 H 1 3.060 . . 1 . . . . 203 F HB3 . 26660 1 899 . 1 1 73 73 PHE HD1 H 1 7.357 . . 3 . . . . 203 F HD# . 26660 1 900 . 1 1 73 73 PHE HD2 H 1 7.357 . . 3 . . . . 203 F HD# . 26660 1 901 . 1 1 73 73 PHE HE1 H 1 7.432 . . 3 . . . . 203 F HE# . 26660 1 902 . 1 1 73 73 PHE HE2 H 1 7.432 . . 3 . . . . 203 F HE# . 26660 1 903 . 1 1 73 73 PHE HZ H 1 7.462 . . 1 . . . . 203 F HZ . 26660 1 904 . 1 1 73 73 PHE CA C 13 61.792 . . 1 . . . . 203 F CA . 26660 1 905 . 1 1 73 73 PHE CB C 13 38.986 . . 1 . . . . 203 F CB . 26660 1 906 . 1 1 73 73 PHE CD1 C 13 131.066 . . 3 . . . . 203 F CD# . 26660 1 907 . 1 1 73 73 PHE CD2 C 13 131.066 . . 3 . . . . 203 F CD# . 26660 1 908 . 1 1 73 73 PHE CE1 C 13 130.011 . . 3 . . . . 203 F CE# . 26660 1 909 . 1 1 73 73 PHE CE2 C 13 130.011 . . 3 . . . . 203 F CE# . 26660 1 910 . 1 1 73 73 PHE CZ C 13 129.038 . . 1 . . . . 203 F CZ . 26660 1 911 . 1 1 73 73 PHE N N 15 122.658 . . 1 . . . . 203 F N . 26660 1 912 . 1 1 75 75 PRO HA H 1 4.102 . . 1 . . . . 205 P HA . 26660 1 913 . 1 1 75 75 PRO HB2 H 1 2.543 . . 1 . . . . 205 P HB2 . 26660 1 914 . 1 1 75 75 PRO HB3 H 1 2.109 . . 1 . . . . 205 P HB3 . 26660 1 915 . 1 1 75 75 PRO HG2 H 1 2.198 . . 1 . . . . 205 P HG2 . 26660 1 916 . 1 1 75 75 PRO HG3 H 1 1.958 . . 1 . . . . 205 P HG3 . 26660 1 917 . 1 1 75 75 PRO HD2 H 1 4.042 . . 1 . . . . 205 P HD2 . 26660 1 918 . 1 1 75 75 PRO HD3 H 1 3.496 . . 1 . . . . 205 P HD3 . 26660 1 919 . 1 1 75 75 PRO C C 13 176.293 . . 1 . . . . 205 P C . 26660 1 920 . 1 1 75 75 PRO CA C 13 64.059 . . 1 . . . . 205 P CA . 26660 1 921 . 1 1 75 75 PRO CB C 13 32.597 . . 1 . . . . 205 P CB . 26660 1 922 . 1 1 75 75 PRO CG C 13 26.571 . . 1 . . . . 205 P CG . 26660 1 923 . 1 1 75 75 PRO CD C 13 51.506 . . 1 . . . . 205 P CD . 26660 1 924 . 1 1 76 76 ASN H H 1 8.388 . . 1 . . . . 206 N H . 26660 1 925 . 1 1 76 76 ASN HA H 1 4.818 . . 1 . . . . 206 N HA . 26660 1 926 . 1 1 76 76 ASN HB2 H 1 2.965 . . 1 . . . . 206 N HB2 . 26660 1 927 . 1 1 76 76 ASN HB3 H 1 2.728 . . 1 . . . . 206 N HB3 . 26660 1 928 . 1 1 76 76 ASN HD21 H 1 7.990 . . 1 . . . . 206 N HD21 . 26660 1 929 . 1 1 76 76 ASN HD22 H 1 7.122 . . 1 . . . . 206 N HD22 . 26660 1 930 . 1 1 76 76 ASN C C 13 173.717 . . 1 . . . . 206 N C . 26660 1 931 . 1 1 76 76 ASN CA C 13 53.041 . . 1 . . . . 206 N CA . 26660 1 932 . 1 1 76 76 ASN CB C 13 39.323 . . 1 . . . . 206 N CB . 26660 1 933 . 1 1 76 76 ASN N N 15 115.479 . . 1 . . . . 206 N N . 26660 1 934 . 1 1 76 76 ASN ND2 N 15 115.180 . . 1 . . . . 206 N ND2 . 26660 1 935 . 1 1 77 77 ASN H H 1 7.207 . . 1 . . . . 207 N H . 26660 1 936 . 1 1 77 77 ASN HA H 1 5.284 . . 1 . . . . 207 N HA . 26660 1 937 . 1 1 77 77 ASN HB2 H 1 2.963 . . 1 . . . . 207 N HB2 . 26660 1 938 . 1 1 77 77 ASN HB3 H 1 2.501 . . 1 . . . . 207 N HB3 . 26660 1 939 . 1 1 77 77 ASN HD21 H 1 8.112 . . 1 . . . . 207 N HD21 . 26660 1 940 . 1 1 77 77 ASN HD22 H 1 6.967 . . 1 . . . . 207 N HD22 . 26660 1 941 . 1 1 77 77 ASN CA C 13 49.186 . . 1 . . . . 207 N CA . 26660 1 942 . 1 1 77 77 ASN CB C 13 39.307 . . 1 . . . . 207 N CB . 26660 1 943 . 1 1 77 77 ASN N N 15 116.975 . . 1 . . . . 207 N N . 26660 1 944 . 1 1 77 77 ASN ND2 N 15 111.940 . . 1 . . . . 207 N ND2 . 26660 1 945 . 1 1 78 78 PRO HA H 1 4.427 . . 1 . . . . 208 P HA . 26660 1 946 . 1 1 78 78 PRO HB2 H 1 2.529 . . 1 . . . . 208 P HB2 . 26660 1 947 . 1 1 78 78 PRO HB3 H 1 1.918 . . 1 . . . . 208 P HB3 . 26660 1 948 . 1 1 78 78 PRO HG2 H 1 2.141 . . 2 . . . . 208 P HG# . 26660 1 949 . 1 1 78 78 PRO HG3 H 1 2.141 . . 2 . . . . 208 P HG# . 26660 1 950 . 1 1 78 78 PRO HD2 H 1 4.037 . . 2 . . . . 208 P HD# . 26660 1 951 . 1 1 78 78 PRO HD3 H 1 4.037 . . 2 . . . . 208 P HD# . 26660 1 952 . 1 1 78 78 PRO C C 13 179.058 . . 1 . . . . 208 P C . 26660 1 953 . 1 1 78 78 PRO CA C 13 64.629 . . 1 . . . . 208 P CA . 26660 1 954 . 1 1 78 78 PRO CB C 13 32.868 . . 1 . . . . 208 P CB . 26660 1 955 . 1 1 78 78 PRO CG C 13 27.097 . . 1 . . . . 208 P CG . 26660 1 956 . 1 1 78 78 PRO CD C 13 51.491 . . 1 . . . . 208 P CD . 26660 1 957 . 1 1 79 79 LYS H H 1 7.980 . . 1 . . . . 209 K H . 26660 1 958 . 1 1 79 79 LYS HA H 1 4.268 . . 1 . . . . 209 K HA . 26660 1 959 . 1 1 79 79 LYS HB2 H 1 2.061 . . 1 . . . . 209 K HB2 . 26660 1 960 . 1 1 79 79 LYS HB3 H 1 1.877 . . 1 . . . . 209 K HB3 . 26660 1 961 . 1 1 79 79 LYS HG2 H 1 1.640 . . 1 . . . . 209 K HG2 . 26660 1 962 . 1 1 79 79 LYS HG3 H 1 1.428 . . 1 . . . . 209 K HG3 . 26660 1 963 . 1 1 79 79 LYS HD2 H 1 1.754 . . 2 . . . . 209 K HD# . 26660 1 964 . 1 1 79 79 LYS HD3 H 1 1.754 . . 2 . . . . 209 K HD# . 26660 1 965 . 1 1 79 79 LYS HE2 H 1 3.129 . . 2 . . . . 209 K HE# . 26660 1 966 . 1 1 79 79 LYS HE3 H 1 3.129 . . 2 . . . . 209 K HE# . 26660 1 967 . 1 1 79 79 LYS C C 13 177.368 . . 1 . . . . 209 K C . 26660 1 968 . 1 1 79 79 LYS CA C 13 56.421 . . 1 . . . . 209 K CA . 26660 1 969 . 1 1 79 79 LYS CB C 13 31.612 . . 1 . . . . 209 K CB . 26660 1 970 . 1 1 79 79 LYS CG C 13 25.736 . . 1 . . . . 209 K CG . 26660 1 971 . 1 1 79 79 LYS CD C 13 28.853 . . 1 . . . . 209 K CD . 26660 1 972 . 1 1 79 79 LYS CE C 13 42.389 . . 1 . . . . 209 K CE . 26660 1 973 . 1 1 79 79 LYS N N 15 113.016 . . 1 . . . . 209 K N . 26660 1 974 . 1 1 80 80 ARG H H 1 7.765 . . 1 . . . . 210 R H . 26660 1 975 . 1 1 80 80 ARG HA H 1 6.595 . . 1 . . . . 210 R HA . 26660 1 976 . 1 1 80 80 ARG HB2 H 1 2.489 . . 1 . . . . 210 R HB2 . 26660 1 977 . 1 1 80 80 ARG HB3 H 1 1.759 . . 1 . . . . 210 R HB3 . 26660 1 978 . 1 1 80 80 ARG HG2 H 1 1.886 . . 1 . . . . 210 R HG2 . 26660 1 979 . 1 1 80 80 ARG HG3 H 1 1.705 . . 1 . . . . 210 R HG3 . 26660 1 980 . 1 1 80 80 ARG HD2 H 1 3.404 . . 1 . . . . 210 R HD2 . 26660 1 981 . 1 1 80 80 ARG HD3 H 1 3.033 . . 1 . . . . 210 R HD3 . 26660 1 982 . 1 1 80 80 ARG C C 13 173.571 . . 1 . . . . 210 R C . 26660 1 983 . 1 1 80 80 ARG CA C 13 56.093 . . 1 . . . . 210 R CA . 26660 1 984 . 1 1 80 80 ARG CB C 13 31.452 . . 1 . . . . 210 R CB . 26660 1 985 . 1 1 80 80 ARG CG C 13 28.736 . . 1 . . . . 210 R CG . 26660 1 986 . 1 1 80 80 ARG CD C 13 45.301 . . 1 . . . . 210 R CD . 26660 1 987 . 1 1 80 80 ARG N N 15 118.465 . . 1 . . . . 210 R N . 26660 1 988 . 1 1 81 81 ALA H H 1 6.768 . . 1 . . . . 211 A H . 26660 1 989 . 1 1 81 81 ALA HA H 1 5.106 . . 1 . . . . 211 A HA . 26660 1 990 . 1 1 81 81 ALA HB1 H 1 1.576 . . 1 . . . . 211 A HB . 26660 1 991 . 1 1 81 81 ALA HB2 H 1 1.576 . . 1 . . . . 211 A HB . 26660 1 992 . 1 1 81 81 ALA HB3 H 1 1.576 . . 1 . . . . 211 A HB . 26660 1 993 . 1 1 81 81 ALA C C 13 172.415 . . 1 . . . . 211 A C . 26660 1 994 . 1 1 81 81 ALA CA C 13 50.775 . . 1 . . . . 211 A CA . 26660 1 995 . 1 1 81 81 ALA CB C 13 20.132 . . 1 . . . . 211 A CB . 26660 1 996 . 1 1 81 81 ALA N N 15 122.958 . . 1 . . . . 211 A N . 26660 1 997 . 1 1 82 82 TRP H H 1 7.228 . . 1 . . . . 212 W H . 26660 1 998 . 1 1 82 82 TRP HA H 1 4.869 . . 1 . . . . 212 W HA . 26660 1 999 . 1 1 82 82 TRP HB2 H 1 2.944 . . 2 . . . . 212 W HB# . 26660 1 1000 . 1 1 82 82 TRP HB3 H 1 2.944 . . 2 . . . . 212 W HB# . 26660 1 1001 . 1 1 82 82 TRP HD1 H 1 7.382 . . 1 . . . . 212 W HD1 . 26660 1 1002 . 1 1 82 82 TRP HE1 H 1 9.143 . . 1 . . . . 212 W HE1 . 26660 1 1003 . 1 1 82 82 TRP HZ2 H 1 7.006 . . 1 . . . . 212 W HZ2 . 26660 1 1004 . 1 1 82 82 TRP HZ3 H 1 7.179 . . 1 . . . . 212 W HZ3 . 26660 1 1005 . 1 1 82 82 TRP HH2 H 1 6.813 . . 1 . . . . 212 W HH2 . 26660 1 1006 . 1 1 82 82 TRP C C 13 174.383 . . 1 . . . . 212 W C . 26660 1 1007 . 1 1 82 82 TRP CA C 13 55.829 . . 1 . . . . 212 W CA . 26660 1 1008 . 1 1 82 82 TRP CB C 13 30.980 . . 1 . . . . 212 W CB . 26660 1 1009 . 1 1 82 82 TRP CD1 C 13 128.796 . . 1 . . . . 212 W CD1 . 26660 1 1010 . 1 1 82 82 TRP CZ2 C 13 111.821 . . 1 . . . . 212 W CZ2 . 26660 1 1011 . 1 1 82 82 TRP CZ3 C 13 119.478 . . 1 . . . . 212 W CZ3 . 26660 1 1012 . 1 1 82 82 TRP CH2 C 13 123.475 . . 1 . . . . 212 W CH2 . 26660 1 1013 . 1 1 82 82 TRP N N 15 127.035 . . 1 . . . . 212 W N . 26660 1 1014 . 1 1 82 82 TRP NE1 N 15 126.236 . . 1 . . . . 212 W NE1 . 26660 1 1015 . 1 1 83 83 ILE H H 1 9.573 . . 1 . . . . 213 I H . 26660 1 1016 . 1 1 83 83 ILE HA H 1 5.144 . . 1 . . . . 213 I HA . 26660 1 1017 . 1 1 83 83 ILE HB H 1 2.066 . . 1 . . . . 213 I HB . 26660 1 1018 . 1 1 83 83 ILE HG12 H 1 1.247 . . 1 . . . . 213 I HG1# . 26660 1 1019 . 1 1 83 83 ILE HG13 H 1 1.247 . . 1 . . . . 213 I HG1# . 26660 1 1020 . 1 1 83 83 ILE HG21 H 1 0.868 . . 1 . . . . 213 I HG2 . 26660 1 1021 . 1 1 83 83 ILE HG22 H 1 0.868 . . 1 . . . . 213 I HG2 . 26660 1 1022 . 1 1 83 83 ILE HG23 H 1 0.868 . . 1 . . . . 213 I HG2 . 26660 1 1023 . 1 1 83 83 ILE HD11 H 1 0.862 . . 1 . . . . 213 I HD1 . 26660 1 1024 . 1 1 83 83 ILE HD12 H 1 0.862 . . 1 . . . . 213 I HD1 . 26660 1 1025 . 1 1 83 83 ILE HD13 H 1 0.862 . . 1 . . . . 213 I HD1 . 26660 1 1026 . 1 1 83 83 ILE C C 13 174.998 . . 1 . . . . 213 I C . 26660 1 1027 . 1 1 83 83 ILE CA C 13 58.456 . . 1 . . . . 213 I CA . 26660 1 1028 . 1 1 83 83 ILE CB C 13 42.096 . . 1 . . . . 213 I CB . 26660 1 1029 . 1 1 83 83 ILE CG1 C 13 26.044 . . 1 . . . . 213 I CG1 . 26660 1 1030 . 1 1 83 83 ILE CG2 C 13 18.815 . . 1 . . . . 213 I CG2 . 26660 1 1031 . 1 1 83 83 ILE CD1 C 13 14.088 . . 1 . . . . 213 I CD1 . 26660 1 1032 . 1 1 83 83 ILE N N 15 115.140 . . 1 . . . . 213 I N . 26660 1 1033 . 1 1 84 84 VAL H H 1 8.985 . . 1 . . . . 214 V H . 26660 1 1034 . 1 1 84 84 VAL HA H 1 4.312 . . 1 . . . . 214 V HA . 26660 1 1035 . 1 1 84 84 VAL HB H 1 2.053 . . 1 . . . . 214 V HB . 26660 1 1036 . 1 1 84 84 VAL HG11 H 1 0.844 . . 2 . . . . 214 V HG# . 26660 1 1037 . 1 1 84 84 VAL HG12 H 1 0.844 . . 2 . . . . 214 V HG# . 26660 1 1038 . 1 1 84 84 VAL HG13 H 1 0.844 . . 2 . . . . 214 V HG# . 26660 1 1039 . 1 1 84 84 VAL HG21 H 1 0.844 . . 2 . . . . 214 V HG# . 26660 1 1040 . 1 1 84 84 VAL HG22 H 1 0.844 . . 2 . . . . 214 V HG# . 26660 1 1041 . 1 1 84 84 VAL HG23 H 1 0.844 . . 2 . . . . 214 V HG# . 26660 1 1042 . 1 1 84 84 VAL C C 13 176.552 . . 1 . . . . 214 V C . 26660 1 1043 . 1 1 84 84 VAL CA C 13 62.769 . . 1 . . . . 214 V CA . 26660 1 1044 . 1 1 84 84 VAL CB C 13 32.081 . . 1 . . . . 214 V CB . 26660 1 1045 . 1 1 84 84 VAL CG1 C 13 21.317 . . 2 . . . . 214 V CG# . 26660 1 1046 . 1 1 84 84 VAL CG2 C 13 21.317 . . 2 . . . . 214 V CG# . 26660 1 1047 . 1 1 84 84 VAL N N 15 121.079 . . 1 . . . . 214 V N . 26660 1 1048 . 1 1 85 85 SER H H 1 8.863 . . 1 . . . . 215 S H . 26660 1 1049 . 1 1 85 85 SER HA H 1 4.839 . . 1 . . . . 215 S HA . 26660 1 1050 . 1 1 85 85 SER HB2 H 1 3.835 . . 1 . . . . 215 S HB2 . 26660 1 1051 . 1 1 85 85 SER HB3 H 1 3.372 . . 1 . . . . 215 S HB3 . 26660 1 1052 . 1 1 85 85 SER C C 13 175.261 . . 1 . . . . 215 S C . 26660 1 1053 . 1 1 85 85 SER CA C 13 55.733 . . 1 . . . . 215 S CA . 26660 1 1054 . 1 1 85 85 SER CB C 13 62.587 . . 1 . . . . 215 S CB . 26660 1 1055 . 1 1 85 85 SER N N 15 123.142 . . 1 . . . . 215 S N . 26660 1 1056 . 1 1 86 86 GLY H H 1 9.401 . . 1 . . . . 216 G H . 26660 1 1057 . 1 1 86 86 GLY HA2 H 1 4.190 . . 1 . . . . 216 G HA2 . 26660 1 1058 . 1 1 86 86 GLY HA3 H 1 3.760 . . 1 . . . . 216 G HA3 . 26660 1 1059 . 1 1 86 86 GLY C C 13 174.105 . . 1 . . . . 216 G C . 26660 1 1060 . 1 1 86 86 GLY CA C 13 47.944 . . 1 . . . . 216 G CA . 26660 1 1061 . 1 1 86 86 GLY N N 15 120.029 . . 1 . . . . 216 G N . 26660 1 1062 . 1 1 87 87 ASN H H 1 8.867 . . 1 . . . . 217 N H . 26660 1 1063 . 1 1 87 87 ASN HA H 1 5.265 . . 1 . . . . 217 N HA . 26660 1 1064 . 1 1 87 87 ASN HB2 H 1 3.221 . . 2 . . . . 217 N HB# . 26660 1 1065 . 1 1 87 87 ASN HB3 H 1 3.221 . . 2 . . . . 217 N HB# . 26660 1 1066 . 1 1 87 87 ASN HD21 H 1 8.081 . . 1 . . . . 217 N HD21 . 26660 1 1067 . 1 1 87 87 ASN HD22 H 1 7.090 . . 1 . . . . 217 N HD22 . 26660 1 1068 . 1 1 87 87 ASN C C 13 173.790 . . 1 . . . . 217 N C . 26660 1 1069 . 1 1 87 87 ASN CA C 13 53.084 . . 1 . . . . 217 N CA . 26660 1 1070 . 1 1 87 87 ASN CB C 13 38.949 . . 1 . . . . 217 N CB . 26660 1 1071 . 1 1 87 87 ASN N N 15 126.640 . . 1 . . . . 217 N N . 26660 1 1072 . 1 1 87 87 ASN ND2 N 15 111.163 . . 1 . . . . 217 N ND2 . 26660 1 1073 . 1 1 88 88 THR H H 1 8.053 . . 1 . . . . 218 T H . 26660 1 1074 . 1 1 88 88 THR HA H 1 5.157 . . 1 . . . . 218 T HA . 26660 1 1075 . 1 1 88 88 THR HB H 1 4.471 . . 1 . . . . 218 T HB . 26660 1 1076 . 1 1 88 88 THR HG21 H 1 1.451 . . 1 . . . . 218 T HG2 . 26660 1 1077 . 1 1 88 88 THR HG22 H 1 1.451 . . 1 . . . . 218 T HG2 . 26660 1 1078 . 1 1 88 88 THR HG23 H 1 1.451 . . 1 . . . . 218 T HG2 . 26660 1 1079 . 1 1 88 88 THR C C 13 172.415 . . 1 . . . . 218 T C . 26660 1 1080 . 1 1 88 88 THR CA C 13 59.979 . . 1 . . . . 218 T CA . 26660 1 1081 . 1 1 88 88 THR CB C 13 73.012 . . 1 . . . . 218 T CB . 26660 1 1082 . 1 1 88 88 THR CG2 C 13 22.590 . . 1 . . . . 218 T CG2 . 26660 1 1083 . 1 1 88 88 THR N N 15 109.679 . . 1 . . . . 218 T N . 26660 1 1084 . 1 1 89 89 ILE H H 1 9.233 . . 1 . . . . 219 I H . 26660 1 1085 . 1 1 89 89 ILE HA H 1 5.100 . . 1 . . . . 219 I HA . 26660 1 1086 . 1 1 89 89 ILE HB H 1 1.702 . . 1 . . . . 219 I HB . 26660 1 1087 . 1 1 89 89 ILE HG12 H 1 1.199 . . 1 . . . . 219 I HG1# . 26660 1 1088 . 1 1 89 89 ILE HG13 H 1 1.199 . . 1 . . . . 219 I HG1# . 26660 1 1089 . 1 1 89 89 ILE HG21 H 1 0.790 . . 1 . . . . 219 I HG2 . 26660 1 1090 . 1 1 89 89 ILE HG22 H 1 0.790 . . 1 . . . . 219 I HG2 . 26660 1 1091 . 1 1 89 89 ILE HG23 H 1 0.790 . . 1 . . . . 219 I HG2 . 26660 1 1092 . 1 1 89 89 ILE HD11 H 1 0.526 . . 1 . . . . 219 I HD1 . 26660 1 1093 . 1 1 89 89 ILE HD12 H 1 0.526 . . 1 . . . . 219 I HD1 . 26660 1 1094 . 1 1 89 89 ILE HD13 H 1 0.526 . . 1 . . . . 219 I HD1 . 26660 1 1095 . 1 1 89 89 ILE C C 13 174.646 . . 1 . . . . 219 I C . 26660 1 1096 . 1 1 89 89 ILE CA C 13 58.662 . . 1 . . . . 219 I CA . 26660 1 1097 . 1 1 89 89 ILE CB C 13 35.219 . . 1 . . . . 219 I CB . 26660 1 1098 . 1 1 89 89 ILE CG1 C 13 26.571 . . 1 . . . . 219 I CG1 . 26660 1 1099 . 1 1 89 89 ILE CG2 C 13 18.654 . . 1 . . . . 219 I CG2 . 26660 1 1100 . 1 1 89 89 ILE CD1 C 13 9.707 . . 1 . . . . 219 I CD1 . 26660 1 1101 . 1 1 89 89 ILE N N 15 123.399 . . 1 . . . . 219 I N . 26660 1 1102 . 1 1 90 90 ALA H H 1 8.976 . . 1 . . . . 220 A H . 26660 1 1103 . 1 1 90 90 ALA HA H 1 5.607 . . 1 . . . . 220 A HA . 26660 1 1104 . 1 1 90 90 ALA HB1 H 1 1.455 . . 1 . . . . 220 A HB . 26660 1 1105 . 1 1 90 90 ALA HB2 H 1 1.455 . . 1 . . . . 220 A HB . 26660 1 1106 . 1 1 90 90 ALA HB3 H 1 1.455 . . 1 . . . . 220 A HB . 26660 1 1107 . 1 1 90 90 ALA C C 13 175.093 . . 1 . . . . 220 A C . 26660 1 1108 . 1 1 90 90 ALA CA C 13 50.148 . . 1 . . . . 220 A CA . 26660 1 1109 . 1 1 90 90 ALA CB C 13 24.474 . . 1 . . . . 220 A CB . 26660 1 1110 . 1 1 90 90 ALA N N 15 128.279 . . 1 . . . . 220 A N . 26660 1 1111 . 1 1 91 91 GLN H H 1 8.158 . . 1 . . . . 221 Q H . 26660 1 1112 . 1 1 91 91 GLN HA H 1 3.016 . . 1 . . . . 221 Q HA . 26660 1 1113 . 1 1 91 91 GLN HB2 H 1 2.121 . . 1 . . . . 221 Q HB2 . 26660 1 1114 . 1 1 91 91 GLN HB3 H 1 1.462 . . 1 . . . . 221 Q HB3 . 26660 1 1115 . 1 1 91 91 GLN HG2 H 1 1.867 . . 1 . . . . 221 Q HG2 . 26660 1 1116 . 1 1 91 91 GLN HG3 H 1 1.498 . . 1 . . . . 221 Q HG3 . 26660 1 1117 . 1 1 91 91 GLN HE21 H 1 7.143 . . 1 . . . . 221 Q HE21 . 26660 1 1118 . 1 1 91 91 GLN HE22 H 1 6.533 . . 1 . . . . 221 Q HE22 . 26660 1 1119 . 1 1 91 91 GLN C C 13 177.990 . . 1 . . . . 221 Q C . 26660 1 1120 . 1 1 91 91 GLN CA C 13 55.695 . . 1 . . . . 221 Q CA . 26660 1 1121 . 1 1 91 91 GLN CB C 13 27.984 . . 1 . . . . 221 Q CB . 26660 1 1122 . 1 1 91 91 GLN CG C 13 33.858 . . 1 . . . . 221 Q CG . 26660 1 1123 . 1 1 91 91 GLN N N 15 125.313 . . 1 . . . . 221 Q N . 26660 1 1124 . 1 1 91 91 GLN NE2 N 15 110.120 . . 1 . . . . 221 Q NE2 . 26660 1 1125 . 1 1 92 92 LEU H H 1 8.452 . . 1 . . . . 222 L H . 26660 1 1126 . 1 1 92 92 LEU HA H 1 3.721 . . 1 . . . . 222 L HA . 26660 1 1127 . 1 1 92 92 LEU HB2 H 1 1.976 . . 1 . . . . 222 L HB2 . 26660 1 1128 . 1 1 92 92 LEU HB3 H 1 1.251 . . 1 . . . . 222 L HB3 . 26660 1 1129 . 1 1 92 92 LEU HG H 1 1.607 . . 1 . . . . 222 L HG . 26660 1 1130 . 1 1 92 92 LEU HD11 H 1 0.942 . . 2 . . . . 222 L HD# . 26660 1 1131 . 1 1 92 92 LEU HD12 H 1 0.942 . . 2 . . . . 222 L HD# . 26660 1 1132 . 1 1 92 92 LEU HD13 H 1 0.942 . . 2 . . . . 222 L HD# . 26660 1 1133 . 1 1 92 92 LEU HD21 H 1 0.942 . . 2 . . . . 222 L HD# . 26660 1 1134 . 1 1 92 92 LEU HD22 H 1 0.942 . . 2 . . . . 222 L HD# . 26660 1 1135 . 1 1 92 92 LEU HD23 H 1 0.942 . . 2 . . . . 222 L HD# . 26660 1 1136 . 1 1 92 92 LEU C C 13 178.839 . . 1 . . . . 222 L C . 26660 1 1137 . 1 1 92 92 LEU CA C 13 59.714 . . 1 . . . . 222 L CA . 26660 1 1138 . 1 1 92 92 LEU CB C 13 42.573 . . 1 . . . . 222 L CB . 26660 1 1139 . 1 1 92 92 LEU CG C 13 27.170 . . 1 . . . . 222 L CG . 26660 1 1140 . 1 1 92 92 LEU CD1 C 13 25.605 . . 1 . . . . 222 L CD1 . 26660 1 1141 . 1 1 92 92 LEU CD2 C 13 24.434 . . 1 . . . . 222 L CD2 . 26660 1 1142 . 1 1 92 92 LEU N N 15 130.160 . . 1 . . . . 222 L N . 26660 1 1143 . 1 1 93 93 SER H H 1 8.345 . . 1 . . . . 223 S H . 26660 1 1144 . 1 1 93 93 SER HA H 1 4.410 . . 1 . . . . 223 S HA . 26660 1 1145 . 1 1 93 93 SER HB2 H 1 3.844 . . 2 . . . . 223 S HB# . 26660 1 1146 . 1 1 93 93 SER HB3 H 1 3.844 . . 2 . . . . 223 S HB# . 26660 1 1147 . 1 1 93 93 SER C C 13 174.259 . . 1 . . . . 223 S C . 26660 1 1148 . 1 1 93 93 SER CA C 13 58.645 . . 1 . . . . 223 S CA . 26660 1 1149 . 1 1 93 93 SER CB C 13 63.906 . . 1 . . . . 223 S CB . 26660 1 1150 . 1 1 93 93 SER N N 15 108.212 . . 1 . . . . 223 S N . 26660 1 1151 . 1 1 94 94 ASP H H 1 7.350 . . 1 . . . . 224 D H . 26660 1 1152 . 1 1 94 94 ASP HA H 1 4.655 . . 1 . . . . 224 D HA . 26660 1 1153 . 1 1 94 94 ASP HB2 H 1 2.619 . . 2 . . . . 224 D HB# . 26660 1 1154 . 1 1 94 94 ASP HB3 H 1 2.619 . . 2 . . . . 224 D HB# . 26660 1 1155 . 1 1 94 94 ASP C C 13 174.559 . . 1 . . . . 224 D C . 26660 1 1156 . 1 1 94 94 ASP CA C 13 54.202 . . 1 . . . . 224 D CA . 26660 1 1157 . 1 1 94 94 ASP CB C 13 40.494 . . 1 . . . . 224 D CB . 26660 1 1158 . 1 1 94 94 ASP N N 15 120.677 . . 1 . . . . 224 D N . 26660 1 1159 . 1 1 95 95 ARG H H 1 8.675 . . 1 . . . . 225 R H . 26660 1 1160 . 1 1 95 95 ARG HA H 1 4.224 . . 1 . . . . 225 R HA . 26660 1 1161 . 1 1 95 95 ARG HB2 H 1 1.868 . . 2 . . . . 225 R HB# . 26660 1 1162 . 1 1 95 95 ARG HB3 H 1 1.868 . . 2 . . . . 225 R HB# . 26660 1 1163 . 1 1 95 95 ARG HG2 H 1 1.661 . . 2 . . . . 225 R HG# . 26660 1 1164 . 1 1 95 95 ARG HG3 H 1 1.661 . . 2 . . . . 225 R HG# . 26660 1 1165 . 1 1 95 95 ARG HD2 H 1 3.319 . . 1 . . . . 225 R HD2 . 26660 1 1166 . 1 1 95 95 ARG HD3 H 1 3.131 . . 1 . . . . 225 R HD3 . 26660 1 1167 . 1 1 95 95 ARG C C 13 175.407 . . 1 . . . . 225 R C . 26660 1 1168 . 1 1 95 95 ARG CA C 13 57.339 . . 1 . . . . 225 R CA . 26660 1 1169 . 1 1 95 95 ARG CB C 13 29.109 . . 1 . . . . 225 R CB . 26660 1 1170 . 1 1 95 95 ARG CG C 13 27.331 . . 1 . . . . 225 R CG . 26660 1 1171 . 1 1 95 95 ARG CD C 13 42.580 . . 1 . . . . 225 R CD . 26660 1 1172 . 1 1 95 95 ARG N N 15 121.515 . . 1 . . . . 225 R N . 26660 1 1173 . 1 1 96 96 ASP H H 1 7.676 . . 1 . . . . 226 D H . 26660 1 1174 . 1 1 96 96 ASP HA H 1 4.816 . . 1 . . . . 226 D HA . 26660 1 1175 . 1 1 96 96 ASP HB2 H 1 2.937 . . 1 . . . . 226 D HB2 . 26660 1 1176 . 1 1 96 96 ASP HB3 H 1 2.713 . . 1 . . . . 226 D HB3 . 26660 1 1177 . 1 1 96 96 ASP C C 13 174.427 . . 1 . . . . 226 D C . 26660 1 1178 . 1 1 96 96 ASP CA C 13 54.793 . . 1 . . . . 226 D CA . 26660 1 1179 . 1 1 96 96 ASP CB C 13 42.073 . . 1 . . . . 226 D CB . 26660 1 1180 . 1 1 96 96 ASP N N 15 115.056 . . 1 . . . . 226 D N . 26660 1 1181 . 1 1 97 97 ASN H H 1 8.317 . . 1 . . . . 227 N H . 26660 1 1182 . 1 1 97 97 ASN HA H 1 4.979 . . 1 . . . . 227 N HA . 26660 1 1183 . 1 1 97 97 ASN HB2 H 1 3.245 . . 1 . . . . 227 N HB2 . 26660 1 1184 . 1 1 97 97 ASN HB3 H 1 2.499 . . 1 . . . . 227 N HB3 . 26660 1 1185 . 1 1 97 97 ASN HD21 H 1 7.650 . . 1 . . . . 227 N HD21 . 26660 1 1186 . 1 1 97 97 ASN HD22 H 1 6.847 . . 1 . . . . 227 N HD22 . 26660 1 1187 . 1 1 97 97 ASN C C 13 173.205 . . 1 . . . . 227 N C . 26660 1 1188 . 1 1 97 97 ASN CA C 13 53.059 . . 1 . . . . 227 N CA . 26660 1 1189 . 1 1 97 97 ASN CB C 13 39.751 . . 1 . . . . 227 N CB . 26660 1 1190 . 1 1 97 97 ASN N N 15 122.904 . . 1 . . . . 227 N N . 26660 1 1191 . 1 1 97 97 ASN ND2 N 15 110.880 . . 1 . . . . 227 N ND2 . 26660 1 1192 . 1 1 98 98 VAL H H 1 8.419 . . 1 . . . . 228 V H . 26660 1 1193 . 1 1 98 98 VAL HA H 1 6.025 . . 1 . . . . 228 V HA . 26660 1 1194 . 1 1 98 98 VAL HB H 1 2.953 . . 1 . . . . 228 V HB . 26660 1 1195 . 1 1 98 98 VAL HG11 H 1 0.821 . . 1 . . . . 228 V HG1 . 26660 1 1196 . 1 1 98 98 VAL HG12 H 1 0.821 . . 1 . . . . 228 V HG1 . 26660 1 1197 . 1 1 98 98 VAL HG13 H 1 0.821 . . 1 . . . . 228 V HG1 . 26660 1 1198 . 1 1 98 98 VAL HG21 H 1 1.033 . . 1 . . . . 228 V HG2 . 26660 1 1199 . 1 1 98 98 VAL HG22 H 1 1.033 . . 1 . . . . 228 V HG2 . 26660 1 1200 . 1 1 98 98 VAL HG23 H 1 1.033 . . 1 . . . . 228 V HG2 . 26660 1 1201 . 1 1 98 98 VAL C C 13 176.015 . . 1 . . . . 228 V C . 26660 1 1202 . 1 1 98 98 VAL CA C 13 58.255 . . 1 . . . . 228 V CA . 26660 1 1203 . 1 1 98 98 VAL CB C 13 35.103 . . 1 . . . . 228 V CB . 26660 1 1204 . 1 1 98 98 VAL CG1 C 13 21.910 . . 1 . . . . 228 V CG1 . 26660 1 1205 . 1 1 98 98 VAL CG2 C 13 19.920 . . 1 . . . . 228 V CG2 . 26660 1 1206 . 1 1 98 98 VAL N N 15 115.524 . . 1 . . . . 228 V N . 26660 1 1207 . 1 1 99 99 LEU H H 1 8.619 . . 1 . . . . 229 L H . 26660 1 1208 . 1 1 99 99 LEU HA H 1 4.854 . . 1 . . . . 229 L HA . 26660 1 1209 . 1 1 99 99 LEU HB2 H 1 1.513 . . 1 . . . . 229 L HB2 . 26660 1 1210 . 1 1 99 99 LEU HB3 H 1 1.009 . . 1 . . . . 229 L HB3 . 26660 1 1211 . 1 1 99 99 LEU HG H 1 1.329 . . 1 . . . . 229 L HG . 26660 1 1212 . 1 1 99 99 LEU HD11 H 1 0.091 . . 1 . . . . 229 L HD1 . 26660 1 1213 . 1 1 99 99 LEU HD12 H 1 0.091 . . 1 . . . . 229 L HD1 . 26660 1 1214 . 1 1 99 99 LEU HD13 H 1 0.091 . . 1 . . . . 229 L HD1 . 26660 1 1215 . 1 1 99 99 LEU HD21 H 1 -0.267 . . 1 . . . . 229 L HD2 . 26660 1 1216 . 1 1 99 99 LEU HD22 H 1 -0.267 . . 1 . . . . 229 L HD2 . 26660 1 1217 . 1 1 99 99 LEU HD23 H 1 -0.267 . . 1 . . . . 229 L HD2 . 26660 1 1218 . 1 1 99 99 LEU C C 13 178.210 . . 1 . . . . 229 L C . 26660 1 1219 . 1 1 99 99 LEU CA C 13 54.165 . . 1 . . . . 229 L CA . 26660 1 1220 . 1 1 99 99 LEU CB C 13 42.507 . . 1 . . . . 229 L CB . 26660 1 1221 . 1 1 99 99 LEU CG C 13 25.546 . . 1 . . . . 229 L CG . 26660 1 1222 . 1 1 99 99 LEU CD1 C 13 21.478 . . 2 . . . . 229 L CD# . 26660 1 1223 . 1 1 99 99 LEU CD2 C 13 21.478 . . 2 . . . . 229 L CD# . 26660 1 1224 . 1 1 99 99 LEU N N 15 117.769 . . 1 . . . . 229 L N . 26660 1 1225 . 1 1 100 100 GLY H H 1 8.980 . . 1 . . . . 230 G H . 26660 1 1226 . 1 1 100 100 GLY HA2 H 1 4.983 . . 1 . . . . 230 G HA2 . 26660 1 1227 . 1 1 100 100 GLY HA3 H 1 3.704 . . 1 . . . . 230 G HA3 . 26660 1 1228 . 1 1 100 100 GLY C C 13 171.764 . . 1 . . . . 230 G C . 26660 1 1229 . 1 1 100 100 GLY CA C 13 46.607 . . 1 . . . . 230 G CA . 26660 1 1230 . 1 1 100 100 GLY N N 15 104.276 . . 1 . . . . 230 G N . 26660 1 1231 . 1 1 101 101 VAL H H 1 8.372 . . 1 . . . . 231 V H . 26660 1 1232 . 1 1 101 101 VAL HA H 1 4.684 . . 1 . . . . 231 V HA . 26660 1 1233 . 1 1 101 101 VAL HB H 1 2.003 . . 1 . . . . 231 V HB . 26660 1 1234 . 1 1 101 101 VAL HG11 H 1 1.152 . . 1 . . . . 231 V HG1 . 26660 1 1235 . 1 1 101 101 VAL HG12 H 1 1.152 . . 1 . . . . 231 V HG1 . 26660 1 1236 . 1 1 101 101 VAL HG13 H 1 1.152 . . 1 . . . . 231 V HG1 . 26660 1 1237 . 1 1 101 101 VAL HG21 H 1 1.063 . . 1 . . . . 231 V HG2 . 26660 1 1238 . 1 1 101 101 VAL HG22 H 1 1.063 . . 1 . . . . 231 V HG2 . 26660 1 1239 . 1 1 101 101 VAL HG23 H 1 1.063 . . 1 . . . . 231 V HG2 . 26660 1 1240 . 1 1 101 101 VAL C C 13 175.502 . . 1 . . . . 231 V C . 26660 1 1241 . 1 1 101 101 VAL CA C 13 62.121 . . 1 . . . . 231 V CA . 26660 1 1242 . 1 1 101 101 VAL CB C 13 34.083 . . 1 . . . . 231 V CB . 26660 1 1243 . 1 1 101 101 VAL CG1 C 13 22.093 . . 1 . . . . 231 V CG1 . 26660 1 1244 . 1 1 101 101 VAL N N 15 120.118 . . 1 . . . . 231 V N . 26660 1 1245 . 1 1 102 102 ILE H H 1 8.943 . . 1 . . . . 232 I H . 26660 1 1246 . 1 1 102 102 ILE HA H 1 4.321 . . 1 . . . . 232 I HA . 26660 1 1247 . 1 1 102 102 ILE HB H 1 1.580 . . 1 . . . . 232 I HB . 26660 1 1248 . 1 1 102 102 ILE HG12 H 1 1.445 . . 1 . . . . 232 I HG12 . 26660 1 1249 . 1 1 102 102 ILE HG13 H 1 1.165 . . 1 . . . . 232 I HG13 . 26660 1 1250 . 1 1 102 102 ILE HG21 H 1 0.866 . . 1 . . . . 232 I HG2 . 26660 1 1251 . 1 1 102 102 ILE HG22 H 1 0.866 . . 1 . . . . 232 I HG2 . 26660 1 1252 . 1 1 102 102 ILE HG23 H 1 0.866 . . 1 . . . . 232 I HG2 . 26660 1 1253 . 1 1 102 102 ILE HD11 H 1 0.613 . . 1 . . . . 232 I HD1 . 26660 1 1254 . 1 1 102 102 ILE HD12 H 1 0.613 . . 1 . . . . 232 I HD1 . 26660 1 1255 . 1 1 102 102 ILE HD13 H 1 0.613 . . 1 . . . . 232 I HD1 . 26660 1 1256 . 1 1 102 102 ILE C C 13 174.983 . . 1 . . . . 232 I C . 26660 1 1257 . 1 1 102 102 ILE CA C 13 59.873 . . 1 . . . . 232 I CA . 26660 1 1258 . 1 1 102 102 ILE CB C 13 39.283 . . 1 . . . . 232 I CB . 26660 1 1259 . 1 1 102 102 ILE CG1 C 13 27.492 . . 1 . . . . 232 I CG1 . 26660 1 1260 . 1 1 102 102 ILE CG2 C 13 17.556 . . 1 . . . . 232 I CG2 . 26660 1 1261 . 1 1 102 102 ILE CD1 C 13 12.552 . . 1 . . . . 232 I CD1 . 26660 1 1262 . 1 1 102 102 ILE N N 15 127.642 . . 1 . . . . 232 I N . 26660 1 1263 . 1 1 103 103 LYS H H 1 8.467 . . 1 . . . . 233 K H . 26660 1 1264 . 1 1 103 103 LYS HA H 1 4.434 . . 1 . . . . 233 K HA . 26660 1 1265 . 1 1 103 103 LYS HB2 H 1 2.038 . . 2 . . . . 233 K HB# . 26660 1 1266 . 1 1 103 103 LYS HB3 H 1 2.038 . . 2 . . . . 233 K HB# . 26660 1 1267 . 1 1 103 103 LYS HG2 H 1 1.550 . . 2 . . . . 233 K HG# . 26660 1 1268 . 1 1 103 103 LYS HG3 H 1 1.550 . . 2 . . . . 233 K HG# . 26660 1 1269 . 1 1 103 103 LYS HD2 H 1 1.825 . . 2 . . . . 233 K HD# . 26660 1 1270 . 1 1 103 103 LYS HD3 H 1 1.825 . . 2 . . . . 233 K HD# . 26660 1 1271 . 1 1 103 103 LYS HE2 H 1 3.099 . . 2 . . . . 233 K HE# . 26660 1 1272 . 1 1 103 103 LYS HE3 H 1 3.099 . . 2 . . . . 233 K HE# . 26660 1 1273 . 1 1 103 103 LYS C C 13 176.263 . . 1 . . . . 233 K C . 26660 1 1274 . 1 1 103 103 LYS CA C 13 56.634 . . 1 . . . . 233 K CA . 26660 1 1275 . 1 1 103 103 LYS CB C 13 33.413 . . 1 . . . . 233 K CB . 26660 1 1276 . 1 1 103 103 LYS CG C 13 24.961 . . 1 . . . . 233 K CG . 26660 1 1277 . 1 1 103 103 LYS CD C 13 29.029 . . 1 . . . . 233 K CD . 26660 1 1278 . 1 1 103 103 LYS CE C 13 42.097 . . 1 . . . . 233 K CE . 26660 1 1279 . 1 1 103 103 LYS N N 15 125.942 . . 1 . . . . 233 K N . 26660 1 1280 . 1 1 104 104 SER H H 1 8.652 . . 1 . . . . 234 S H . 26660 1 1281 . 1 1 104 104 SER HA H 1 4.644 . . 1 . . . . 234 S HA . 26660 1 1282 . 1 1 104 104 SER HB2 H 1 3.998 . . 1 . . . . 234 S HB2 . 26660 1 1283 . 1 1 104 104 SER HB3 H 1 3.887 . . 1 . . . . 234 S HB3 . 26660 1 1284 . 1 1 104 104 SER C C 13 174.624 . . 1 . . . . 234 S C . 26660 1 1285 . 1 1 104 104 SER CA C 13 57.760 . . 1 . . . . 234 S CA . 26660 1 1286 . 1 1 104 104 SER CB C 13 64.655 . . 1 . . . . 234 S CB . 26660 1 1287 . 1 1 104 104 SER N N 15 118.453 . . 1 . . . . 234 S N . 26660 1 1288 . 1 1 105 105 ASP H H 1 8.726 . . 1 . . . . 235 D H . 26660 1 1289 . 1 1 105 105 ASP HA H 1 4.709 . . 1 . . . . 235 D HA . 26660 1 1290 . 1 1 105 105 ASP HB2 H 1 2.840 . . 2 . . . . 235 D HB# . 26660 1 1291 . 1 1 105 105 ASP HB3 H 1 2.840 . . 2 . . . . 235 D HB# . 26660 1 1292 . 1 1 105 105 ASP C C 13 176.574 . . 1 . . . . 235 D C . 26660 1 1293 . 1 1 105 105 ASP CA C 13 55.099 . . 1 . . . . 235 D CA . 26660 1 1294 . 1 1 105 105 ASP CB C 13 41.320 . . 1 . . . . 235 D CB . 26660 1 1295 . 1 1 105 105 ASP N N 15 123.348 . . 1 . . . . 235 D N . 26660 1 1296 . 1 1 106 106 LYS H H 1 8.575 . . 1 . . . . 236 K H . 26660 1 1297 . 1 1 106 106 LYS HA H 1 4.423 . . 1 . . . . 236 K HA . 26660 1 1298 . 1 1 106 106 LYS HB2 H 1 2.038 . . 1 . . . . 236 K HB2 . 26660 1 1299 . 1 1 106 106 LYS HB3 H 1 1.855 . . 1 . . . . 236 K HB3 . 26660 1 1300 . 1 1 106 106 LYS HG2 H 1 1.534 . . 2 . . . . 236 K HG# . 26660 1 1301 . 1 1 106 106 LYS HG3 H 1 1.534 . . 2 . . . . 236 K HG# . 26660 1 1302 . 1 1 106 106 LYS HD2 H 1 1.803 . . 2 . . . . 236 K HD# . 26660 1 1303 . 1 1 106 106 LYS HD3 H 1 1.803 . . 2 . . . . 236 K HD# . 26660 1 1304 . 1 1 106 106 LYS HE2 H 1 3.115 . . 2 . . . . 236 K HE# . 26660 1 1305 . 1 1 106 106 LYS HE3 H 1 3.115 . . 2 . . . . 236 K HE# . 26660 1 1306 . 1 1 106 106 LYS C C 13 177.083 . . 1 . . . . 236 K C . 26660 1 1307 . 1 1 106 106 LYS CA C 13 56.688 . . 1 . . . . 236 K CA . 26660 1 1308 . 1 1 106 106 LYS CB C 13 32.627 . . 1 . . . . 236 K CB . 26660 1 1309 . 1 1 106 106 LYS CG C 13 24.814 . . 1 . . . . 236 K CG . 26660 1 1310 . 1 1 106 106 LYS CD C 13 29.468 . . 1 . . . . 236 K CD . 26660 1 1311 . 1 1 106 106 LYS CE C 13 42.214 . . 1 . . . . 236 K CE . 26660 1 1312 . 1 1 106 106 LYS N N 15 119.176 . . 1 . . . . 236 K N . 26660 1 1313 . 1 1 107 107 GLY H H 1 8.423 . . 1 . . . . 237 G H . 26660 1 1314 . 1 1 107 107 GLY HA2 H 1 4.143 . . 1 . . . . 237 G HA2 . 26660 1 1315 . 1 1 107 107 GLY HA3 H 1 4.011 . . 1 . . . . 237 G HA3 . 26660 1 1316 . 1 1 107 107 GLY C C 13 173.863 . . 1 . . . . 237 G C . 26660 1 1317 . 1 1 107 107 GLY CA C 13 45.600 . . 1 . . . . 237 G CA . 26660 1 1318 . 1 1 107 107 GLY N N 15 109.182 . . 1 . . . . 237 G N . 26660 1 1319 . 1 1 108 108 ALA H H 1 8.121 . . 1 . . . . 238 A H . 26660 1 1320 . 1 1 108 108 ALA HA H 1 4.569 . . 1 . . . . 238 A HA . 26660 1 1321 . 1 1 108 108 ALA HB1 H 1 1.585 . . 1 . . . . 238 A HB . 26660 1 1322 . 1 1 108 108 ALA HB2 H 1 1.585 . . 1 . . . . 238 A HB . 26660 1 1323 . 1 1 108 108 ALA HB3 H 1 1.585 . . 1 . . . . 238 A HB . 26660 1 1324 . 1 1 108 108 ALA C C 13 177.515 . . 1 . . . . 238 A C . 26660 1 1325 . 1 1 108 108 ALA CA C 13 52.334 . . 1 . . . . 238 A CA . 26660 1 1326 . 1 1 108 108 ALA CB C 13 20.131 . . 1 . . . . 238 A CB . 26660 1 1327 . 1 1 108 108 ALA N N 15 123.003 . . 1 . . . . 238 A N . 26660 1 1328 . 1 1 109 109 SER H H 1 8.392 . . 1 . . . . 239 S H . 26660 1 1329 . 1 1 109 109 SER HA H 1 4.738 . . 1 . . . . 239 S HA . 26660 1 1330 . 1 1 109 109 SER HB2 H 1 4.151 . . 2 . . . . 239 S HB# . 26660 1 1331 . 1 1 109 109 SER HB3 H 1 4.151 . . 2 . . . . 239 S HB# . 26660 1 1332 . 1 1 109 109 SER C C 13 173.710 . . 1 . . . . 239 S C . 26660 1 1333 . 1 1 109 109 SER CA C 13 58.476 . . 1 . . . . 239 S CA . 26660 1 1334 . 1 1 109 109 SER CB C 13 64.548 . . 1 . . . . 239 S CB . 26660 1 1335 . 1 1 109 109 SER N N 15 114.645 . . 1 . . . . 239 S N . 26660 1 1336 . 1 1 110 110 ALA H H 1 8.713 . . 1 . . . . 240 A H . 26660 1 1337 . 1 1 110 110 ALA HA H 1 4.789 . . 1 . . . . 240 A HA . 26660 1 1338 . 1 1 110 110 ALA HB1 H 1 1.531 . . 1 . . . . 240 A HB . 26660 1 1339 . 1 1 110 110 ALA HB2 H 1 1.531 . . 1 . . . . 240 A HB . 26660 1 1340 . 1 1 110 110 ALA HB3 H 1 1.531 . . 1 . . . . 240 A HB . 26660 1 1341 . 1 1 110 110 ALA C C 13 176.600 . . 1 . . . . 240 A C . 26660 1 1342 . 1 1 110 110 ALA CA C 13 52.547 . . 1 . . . . 240 A CA . 26660 1 1343 . 1 1 110 110 ALA CB C 13 20.646 . . 1 . . . . 240 A CB . 26660 1 1344 . 1 1 110 110 ALA N N 15 126.848 . . 1 . . . . 240 A N . 26660 1 1345 . 1 1 111 111 HIS H H 1 8.548 . . 1 . . . . 241 H H . 26660 1 1346 . 1 1 111 111 HIS HA H 1 5.247 . . 1 . . . . 241 H HA . 26660 1 1347 . 1 1 111 111 HIS HB2 H 1 3.384 . . 2 . . . . 241 H HB# . 26660 1 1348 . 1 1 111 111 HIS HB3 H 1 3.384 . . 2 . . . . 241 H HB# . 26660 1 1349 . 1 1 111 111 HIS HD2 H 1 7.212 . . 1 . . . . 241 H HD2 . 26660 1 1350 . 1 1 111 111 HIS HE1 H 1 8.220 . . 1 . . . . 241 H HE1 . 26660 1 1351 . 1 1 111 111 HIS C C 13 172.795 . . 1 . . . . 241 H C . 26660 1 1352 . 1 1 111 111 HIS CA C 13 55.522 . . 1 . . . . 241 H CA . 26660 1 1353 . 1 1 111 111 HIS CB C 13 32.367 . . 1 . . . . 241 H CB . 26660 1 1354 . 1 1 111 111 HIS CD2 C 13 120.220 . . 1 . . . . 241 H CD2 . 26660 1 1355 . 1 1 111 111 HIS CE1 C 13 137.619 . . 1 . . . . 241 H CE1 . 26660 1 1356 . 1 1 111 111 HIS N N 15 117.668 . . 1 . . . . 241 H N . 26660 1 1357 . 1 1 112 112 ILE H H 1 8.558 . . 1 . . . . 242 I H . 26660 1 1358 . 1 1 112 112 ILE HA H 1 5.452 . . 1 . . . . 242 I HA . 26660 1 1359 . 1 1 112 112 ILE HB H 1 1.884 . . 1 . . . . 242 I HB . 26660 1 1360 . 1 1 112 112 ILE HG12 H 1 1.569 . . 1 . . . . 242 I HG12 . 26660 1 1361 . 1 1 112 112 ILE HG13 H 1 1.405 . . 1 . . . . 242 I HG13 . 26660 1 1362 . 1 1 112 112 ILE HG21 H 1 0.961 . . 1 . . . . 242 I HG2 . 26660 1 1363 . 1 1 112 112 ILE HG22 H 1 0.961 . . 1 . . . . 242 I HG2 . 26660 1 1364 . 1 1 112 112 ILE HG23 H 1 0.961 . . 1 . . . . 242 I HG2 . 26660 1 1365 . 1 1 112 112 ILE HD11 H 1 0.918 . . 1 . . . . 242 I HD1 . 26660 1 1366 . 1 1 112 112 ILE HD12 H 1 0.918 . . 1 . . . . 242 I HD1 . 26660 1 1367 . 1 1 112 112 ILE HD13 H 1 0.918 . . 1 . . . . 242 I HD1 . 26660 1 1368 . 1 1 112 112 ILE C C 13 174.932 . . 1 . . . . 242 I C . 26660 1 1369 . 1 1 112 112 ILE CA C 13 59.365 . . 1 . . . . 242 I CA . 26660 1 1370 . 1 1 112 112 ILE CB C 13 39.791 . . 1 . . . . 242 I CB . 26660 1 1371 . 1 1 112 112 ILE CG1 C 13 28.327 . . 1 . . . . 242 I CG1 . 26660 1 1372 . 1 1 112 112 ILE CG2 C 13 19.854 . . 1 . . . . 242 I CG2 . 26660 1 1373 . 1 1 112 112 ILE CD1 C 13 14.439 . . 1 . . . . 242 I CD1 . 26660 1 1374 . 1 1 112 112 ILE N N 15 119.768 . . 1 . . . . 242 I N . 26660 1 1375 . 1 1 113 113 CYS H H 1 8.956 . . 1 . . . . 243 C H . 26660 1 1376 . 1 1 113 113 CYS HA H 1 5.166 . . 1 . . . . 243 C HA . 26660 1 1377 . 1 1 113 113 CYS HB2 H 1 3.373 . . 1 . . . . 243 C HB2 . 26660 1 1378 . 1 1 113 113 CYS HB3 H 1 2.953 . . 1 . . . . 243 C HB3 . 26660 1 1379 . 1 1 113 113 CYS C C 13 171.486 . . 1 . . . . 243 C C . 26660 1 1380 . 1 1 113 113 CYS CA C 13 56.425 . . 1 . . . . 243 C CA . 26660 1 1381 . 1 1 113 113 CYS CB C 13 32.619 . . 1 . . . . 243 C CB . 26660 1 1382 . 1 1 113 113 CYS N N 15 123.212 . . 1 . . . . 243 C N . 26660 1 1383 . 1 1 114 114 ALA H H 1 8.929 . . 1 . . . . 244 A H . 26660 1 1384 . 1 1 114 114 ALA HA H 1 5.490 . . 1 . . . . 244 A HA . 26660 1 1385 . 1 1 114 114 ALA HB1 H 1 1.408 . . 1 . . . . 244 A HB . 26660 1 1386 . 1 1 114 114 ALA HB2 H 1 1.408 . . 1 . . . . 244 A HB . 26660 1 1387 . 1 1 114 114 ALA HB3 H 1 1.408 . . 1 . . . . 244 A HB . 26660 1 1388 . 1 1 114 114 ALA C C 13 177.354 . . 1 . . . . 244 A C . 26660 1 1389 . 1 1 114 114 ALA CA C 13 51.202 . . 1 . . . . 244 A CA . 26660 1 1390 . 1 1 114 114 ALA CB C 13 22.139 . . 1 . . . . 244 A CB . 26660 1 1391 . 1 1 114 114 ALA N N 15 123.742 . . 1 . . . . 244 A N . 26660 1 1392 . 1 1 115 115 TRP H H 1 9.371 . . 1 . . . . 245 W H . 26660 1 1393 . 1 1 115 115 TRP HA H 1 4.986 . . 1 . . . . 245 W HA . 26660 1 1394 . 1 1 115 115 TRP HB2 H 1 3.626 . . 1 . . . . 245 W HB2 . 26660 1 1395 . 1 1 115 115 TRP HB3 H 1 3.524 . . 1 . . . . 245 W HB3 . 26660 1 1396 . 1 1 115 115 TRP HD1 H 1 7.509 . . 1 . . . . 245 W HD1 . 26660 1 1397 . 1 1 115 115 TRP HE1 H 1 9.992 . . 1 . . . . 245 W HE1 . 26660 1 1398 . 1 1 115 115 TRP HZ2 H 1 7.410 . . 1 . . . . 245 W HZ2 . 26660 1 1399 . 1 1 115 115 TRP HH2 H 1 6.953 . . 1 . . . . 245 W HH2 . 26660 1 1400 . 1 1 115 115 TRP C C 13 173.682 . . 1 . . . . 245 W C . 26660 1 1401 . 1 1 115 115 TRP CA C 13 57.281 . . 1 . . . . 245 W CA . 26660 1 1402 . 1 1 115 115 TRP CB C 13 31.087 . . 1 . . . . 245 W CB . 26660 1 1403 . 1 1 115 115 TRP CD1 C 13 129.829 . . 1 . . . . 245 W CD1 . 26660 1 1404 . 1 1 115 115 TRP CZ2 C 13 114.009 . . 1 . . . . 245 W CZ2 . 26660 1 1405 . 1 1 115 115 TRP CH2 C 13 123.881 . . 1 . . . . 245 W CH2 . 26660 1 1406 . 1 1 115 115 TRP N N 15 123.817 . . 1 . . . . 245 W N . 26660 1 1407 . 1 1 115 115 TRP NE1 N 15 129.005 . . 1 . . . . 245 W NE1 . 26660 1 1408 . 1 1 116 116 LYS H H 1 7.976 . . 1 . . . . 246 K H . 26660 1 1409 . 1 1 116 116 LYS HA H 1 4.870 . . 1 . . . . 246 K HA . 26660 1 1410 . 1 1 116 116 LYS HB2 H 1 1.946 . . 2 . . . . 246 K HB# . 26660 1 1411 . 1 1 116 116 LYS HB3 H 1 1.946 . . 2 . . . . 246 K HB# . 26660 1 1412 . 1 1 116 116 LYS HG2 H 1 1.604 . . 2 . . . . 246 K HG# . 26660 1 1413 . 1 1 116 116 LYS HG3 H 1 1.604 . . 2 . . . . 246 K HG# . 26660 1 1414 . 1 1 116 116 LYS HD2 H 1 1.806 . . 2 . . . . 246 K HD# . 26660 1 1415 . 1 1 116 116 LYS HD3 H 1 1.806 . . 2 . . . . 246 K HD# . 26660 1 1416 . 1 1 116 116 LYS HE2 H 1 3.069 . . 2 . . . . 246 K HE# . 26660 1 1417 . 1 1 116 116 LYS HE3 H 1 3.069 . . 2 . . . . 246 K HE# . 26660 1 1418 . 1 1 116 116 LYS C C 13 178.649 . . 1 . . . . 246 K C . 26660 1 1419 . 1 1 116 116 LYS CA C 13 56.555 . . 1 . . . . 246 K CA . 26660 1 1420 . 1 1 116 116 LYS CB C 13 33.052 . . 1 . . . . 246 K CB . 26660 1 1421 . 1 1 116 116 LYS CE C 13 42.243 . . 1 . . . . 246 K CE . 26660 1 1422 . 1 1 116 116 LYS N N 15 119.453 . . 1 . . . . 246 K N . 26660 1 1423 . 1 1 117 117 GLN H H 1 8.995 . . 1 . . . . 247 Q H . 26660 1 1424 . 1 1 117 117 GLN HA H 1 4.095 . . 1 . . . . 247 Q HA . 26660 1 1425 . 1 1 117 117 GLN HB2 H 1 2.188 . . 2 . . . . 247 Q HB# . 26660 1 1426 . 1 1 117 117 GLN HB3 H 1 2.188 . . 2 . . . . 247 Q HB# . 26660 1 1427 . 1 1 117 117 GLN HG2 H 1 2.617 . . 2 . . . . 247 Q HG# . 26660 1 1428 . 1 1 117 117 GLN HG3 H 1 2.617 . . 2 . . . . 247 Q HG# . 26660 1 1429 . 1 1 117 117 GLN HE21 H 1 7.990 . . 1 . . . . 247 Q HE21 . 26660 1 1430 . 1 1 117 117 GLN HE22 H 1 6.794 . . 1 . . . . 247 Q HE22 . 26660 1 1431 . 1 1 117 117 GLN C C 13 176.410 . . 1 . . . . 247 Q C . 26660 1 1432 . 1 1 117 117 GLN CA C 13 57.225 . . 1 . . . . 247 Q CA . 26660 1 1433 . 1 1 117 117 GLN CB C 13 30.117 . . 1 . . . . 247 Q CB . 26660 1 1434 . 1 1 117 117 GLN CG C 13 34.121 . . 1 . . . . 247 Q CG . 26660 1 1435 . 1 1 117 117 GLN N N 15 125.710 . . 1 . . . . 247 Q N . 26660 1 1436 . 1 1 117 117 GLN NE2 N 15 110.861 . . 1 . . . . 247 Q NE2 . 26660 1 1437 . 1 1 118 118 HIS H H 1 9.685 . . 1 . . . . 248 H H . 26660 1 1438 . 1 1 118 118 HIS HA H 1 4.986 . . 1 . . . . 248 H HA . 26660 1 1439 . 1 1 118 118 HIS HB2 H 1 3.599 . . 1 . . . . 248 H HB2 . 26660 1 1440 . 1 1 118 118 HIS HB3 H 1 3.376 . . 1 . . . . 248 H HB3 . 26660 1 1441 . 1 1 118 118 HIS HD2 H 1 7.484 . . 1 . . . . 248 H HD2 . 26660 1 1442 . 1 1 118 118 HIS HE1 H 1 8.432 . . 1 . . . . 248 H HE1 . 26660 1 1443 . 1 1 118 118 HIS C C 13 177.314 . . 1 . . . . 248 H C . 26660 1 1444 . 1 1 118 118 HIS CA C 13 56.043 . . 1 . . . . 248 H CA . 26660 1 1445 . 1 1 118 118 HIS CB C 13 31.099 . . 1 . . . . 248 H CB . 26660 1 1446 . 1 1 118 118 HIS CD2 C 13 121.633 . . 1 . . . . 248 H CD2 . 26660 1 1447 . 1 1 118 118 HIS CE1 C 13 137.619 . . 1 . . . . 248 H CE1 . 26660 1 1448 . 1 1 118 118 HIS N N 15 126.997 . . 1 . . . . 248 H N . 26660 1 1449 . 1 1 119 119 GLY H H 1 9.329 . . 1 . . . . 249 G H . 26660 1 1450 . 1 1 119 119 GLY HA2 H 1 4.256 . . 1 . . . . 249 G HA2 . 26660 1 1451 . 1 1 119 119 GLY HA3 H 1 3.861 . . 1 . . . . 249 G HA3 . 26660 1 1452 . 1 1 119 119 GLY C C 13 174.924 . . 1 . . . . 249 G C . 26660 1 1453 . 1 1 119 119 GLY CA C 13 46.618 . . 1 . . . . 249 G CA . 26660 1 1454 . 1 1 119 119 GLY N N 15 110.181 . . 1 . . . . 249 G N . 26660 1 1455 . 1 1 120 120 GLY H H 1 9.185 . . 1 . . . . 250 G H . 26660 1 1456 . 1 1 120 120 GLY HA2 H 1 4.646 . . 1 . . . . 250 G HA2 . 26660 1 1457 . 1 1 120 120 GLY HA3 H 1 4.035 . . 1 . . . . 250 G HA3 . 26660 1 1458 . 1 1 120 120 GLY CA C 13 44.629 . . 1 . . . . 250 G CA . 26660 1 1459 . 1 1 120 120 GLY N N 15 109.581 . . 1 . . . . 250 G N . 26660 1 1460 . 1 1 121 121 PRO HA H 1 4.224 . . 1 . . . . 251 P HA . 26660 1 1461 . 1 1 121 121 PRO HB2 H 1 2.466 . . 1 . . . . 251 P HB2 . 26660 1 1462 . 1 1 121 121 PRO HB3 H 1 1.855 . . 1 . . . . 251 P HB3 . 26660 1 1463 . 1 1 121 121 PRO HG2 H 1 2.183 . . 2 . . . . 251 P HG# . 26660 1 1464 . 1 1 121 121 PRO HG3 H 1 2.183 . . 2 . . . . 251 P HG# . 26660 1 1465 . 1 1 121 121 PRO HD2 H 1 3.912 . . 2 . . . . 251 P HD# . 26660 1 1466 . 1 1 121 121 PRO HD3 H 1 3.912 . . 2 . . . . 251 P HD# . 26660 1 1467 . 1 1 121 121 PRO C C 13 177.112 . . 1 . . . . 251 P C . 26660 1 1468 . 1 1 121 121 PRO CA C 13 65.106 . . 1 . . . . 251 P CA . 26660 1 1469 . 1 1 121 121 PRO CB C 13 32.130 . . 1 . . . . 251 P CB . 26660 1 1470 . 1 1 121 121 PRO CG C 13 27.434 . . 1 . . . . 251 P CG . 26660 1 1471 . 1 1 121 121 PRO CD C 13 50.262 . . 1 . . . . 251 P CD . 26660 1 1472 . 1 1 122 122 ASN H H 1 8.509 . . 1 . . . . 252 N H . 26660 1 1473 . 1 1 122 122 ASN HA H 1 4.302 . . 1 . . . . 252 N HA . 26660 1 1474 . 1 1 122 122 ASN HB2 H 1 3.715 . . 1 . . . . 252 N HB2 . 26660 1 1475 . 1 1 122 122 ASN HB3 H 1 3.171 . . 1 . . . . 252 N HB3 . 26660 1 1476 . 1 1 122 122 ASN HD21 H 1 8.026 . . 1 . . . . 252 N HD21 . 26660 1 1477 . 1 1 122 122 ASN HD22 H 1 7.424 . . 1 . . . . 252 N HD22 . 26660 1 1478 . 1 1 122 122 ASN C C 13 176.417 . . 1 . . . . 252 N C . 26660 1 1479 . 1 1 122 122 ASN CA C 13 55.856 . . 1 . . . . 252 N CA . 26660 1 1480 . 1 1 122 122 ASN CB C 13 36.505 . . 1 . . . . 252 N CB . 26660 1 1481 . 1 1 122 122 ASN N N 15 113.107 . . 1 . . . . 252 N N . 26660 1 1482 . 1 1 122 122 ASN ND2 N 15 111.822 . . 1 . . . . 252 N ND2 . 26660 1 1483 . 1 1 123 123 GLN H H 1 7.643 . . 1 . . . . 253 Q H . 26660 1 1484 . 1 1 123 123 GLN HA H 1 5.069 . . 1 . . . . 253 Q HA . 26660 1 1485 . 1 1 123 123 GLN HB2 H 1 2.530 . . 1 . . . . 253 Q HB2 . 26660 1 1486 . 1 1 123 123 GLN HB3 H 1 1.906 . . 1 . . . . 253 Q HB3 . 26660 1 1487 . 1 1 123 123 GLN HG2 H 1 1.822 . . 2 . . . . 253 Q HG# . 26660 1 1488 . 1 1 123 123 GLN HG3 H 1 1.822 . . 2 . . . . 253 Q HG# . 26660 1 1489 . 1 1 123 123 GLN C C 13 174.346 . . 1 . . . . 253 Q C . 26660 1 1490 . 1 1 123 123 GLN CA C 13 55.318 . . 1 . . . . 253 Q CA . 26660 1 1491 . 1 1 123 123 GLN CB C 13 30.269 . . 1 . . . . 253 Q CB . 26660 1 1492 . 1 1 123 123 GLN CG C 13 35.014 . . 1 . . . . 253 Q CG . 26660 1 1493 . 1 1 123 123 GLN N N 15 119.357 . . 1 . . . . 253 Q N . 26660 1 1494 . 1 1 124 124 LYS H H 1 7.197 . . 1 . . . . 254 K H . 26660 1 1495 . 1 1 124 124 LYS HA H 1 5.266 . . 1 . . . . 254 K HA . 26660 1 1496 . 1 1 124 124 LYS HB2 H 1 1.820 . . 2 . . . . 254 K HB# . 26660 1 1497 . 1 1 124 124 LYS HB3 H 1 1.820 . . 2 . . . . 254 K HB# . 26660 1 1498 . 1 1 124 124 LYS HG2 H 1 1.259 . . 2 . . . . 254 K HG# . 26660 1 1499 . 1 1 124 124 LYS HG3 H 1 1.259 . . 2 . . . . 254 K HG# . 26660 1 1500 . 1 1 124 124 LYS HD2 H 1 1.610 . . 2 . . . . 254 K HD# . 26660 1 1501 . 1 1 124 124 LYS HD3 H 1 1.610 . . 2 . . . . 254 K HD# . 26660 1 1502 . 1 1 124 124 LYS HE2 H 1 2.897 . . 2 . . . . 254 K HE# . 26660 1 1503 . 1 1 124 124 LYS HE3 H 1 2.897 . . 2 . . . . 254 K HE# . 26660 1 1504 . 1 1 124 124 LYS C C 13 175.824 . . 1 . . . . 254 K C . 26660 1 1505 . 1 1 124 124 LYS CA C 13 55.446 . . 1 . . . . 254 K CA . 26660 1 1506 . 1 1 124 124 LYS CB C 13 35.155 . . 1 . . . . 254 K CB . 26660 1 1507 . 1 1 124 124 LYS CG C 13 25.341 . . 1 . . . . 254 K CG . 26660 1 1508 . 1 1 124 124 LYS CD C 13 29.687 . . 1 . . . . 254 K CD . 26660 1 1509 . 1 1 124 124 LYS CE C 13 42.258 . . 1 . . . . 254 K CE . 26660 1 1510 . 1 1 124 124 LYS N N 15 119.598 . . 1 . . . . 254 K N . 26660 1 1511 . 1 1 125 125 PHE H H 1 9.334 . . 1 . . . . 255 F H . 26660 1 1512 . 1 1 125 125 PHE HA H 1 5.398 . . 1 . . . . 255 F HA . 26660 1 1513 . 1 1 125 125 PHE HB2 H 1 2.897 . . 1 . . . . 255 F HB2 . 26660 1 1514 . 1 1 125 125 PHE HB3 H 1 2.366 . . 1 . . . . 255 F HB3 . 26660 1 1515 . 1 1 125 125 PHE HD1 H 1 7.069 . . 3 . . . . 255 F HD# . 26660 1 1516 . 1 1 125 125 PHE HD2 H 1 7.069 . . 3 . . . . 255 F HD# . 26660 1 1517 . 1 1 125 125 PHE HE1 H 1 7.121 . . 3 . . . . 255 F HE# . 26660 1 1518 . 1 1 125 125 PHE HE2 H 1 7.121 . . 3 . . . . 255 F HE# . 26660 1 1519 . 1 1 125 125 PHE HZ H 1 6.827 . . 1 . . . . 255 F HZ . 26660 1 1520 . 1 1 125 125 PHE C C 13 173.922 . . 1 . . . . 255 F C . 26660 1 1521 . 1 1 125 125 PHE CA C 13 57.050 . . 1 . . . . 255 F CA . 26660 1 1522 . 1 1 125 125 PHE CB C 13 44.398 . . 1 . . . . 255 F CB . 26660 1 1523 . 1 1 125 125 PHE CD1 C 13 132.490 . . 3 . . . . 255 F CD# . 26660 1 1524 . 1 1 125 125 PHE CD2 C 13 132.490 . . 3 . . . . 255 F CD# . 26660 1 1525 . 1 1 125 125 PHE CE1 C 13 130.428 . . 3 . . . . 255 F CE# . 26660 1 1526 . 1 1 125 125 PHE CE2 C 13 130.428 . . 3 . . . . 255 F CE# . 26660 1 1527 . 1 1 125 125 PHE CZ C 13 127.867 . . 1 . . . . 255 F CZ . 26660 1 1528 . 1 1 125 125 PHE N N 15 123.203 . . 1 . . . . 255 F N . 26660 1 1529 . 1 1 126 126 ILE H H 1 9.875 . . 1 . . . . 256 I H . 26660 1 1530 . 1 1 126 126 ILE HA H 1 4.439 . . 1 . . . . 256 I HA . 26660 1 1531 . 1 1 126 126 ILE HB H 1 1.817 . . 1 . . . . 256 I HB . 26660 1 1532 . 1 1 126 126 ILE HG12 H 1 1.588 . . 1 . . . . 256 I HG12 . 26660 1 1533 . 1 1 126 126 ILE HG13 H 1 1.222 . . 1 . . . . 256 I HG13 . 26660 1 1534 . 1 1 126 126 ILE HG21 H 1 1.039 . . 1 . . . . 256 I HG2 . 26660 1 1535 . 1 1 126 126 ILE HG22 H 1 1.039 . . 1 . . . . 256 I HG2 . 26660 1 1536 . 1 1 126 126 ILE HG23 H 1 1.039 . . 1 . . . . 256 I HG2 . 26660 1 1537 . 1 1 126 126 ILE HD11 H 1 0.996 . . 1 . . . . 256 I HD1 . 26660 1 1538 . 1 1 126 126 ILE HD12 H 1 0.996 . . 1 . . . . 256 I HD1 . 26660 1 1539 . 1 1 126 126 ILE HD13 H 1 0.996 . . 1 . . . . 256 I HD1 . 26660 1 1540 . 1 1 126 126 ILE C C 13 174.566 . . 1 . . . . 256 I C . 26660 1 1541 . 1 1 126 126 ILE CA C 13 59.900 . . 1 . . . . 256 I CA . 26660 1 1542 . 1 1 126 126 ILE CB C 13 41.958 . . 1 . . . . 256 I CB . 26660 1 1543 . 1 1 126 126 ILE CG1 C 13 27.975 . . 1 . . . . 256 I CG1 . 26660 1 1544 . 1 1 126 126 ILE CG2 C 13 18.127 . . 1 . . . . 256 I CG2 . 26660 1 1545 . 1 1 126 126 ILE CD1 C 13 14.322 . . 1 . . . . 256 I CD1 . 26660 1 1546 . 1 1 126 126 ILE N N 15 120.806 . . 1 . . . . 256 I N . 26660 1 1547 . 1 1 127 127 ILE H H 1 8.650 . . 1 . . . . 257 I H . 26660 1 1548 . 1 1 127 127 ILE HA H 1 5.051 . . 1 . . . . 257 I HA . 26660 1 1549 . 1 1 127 127 ILE HB H 1 2.062 . . 1 . . . . 257 I HB . 26660 1 1550 . 1 1 127 127 ILE HG12 H 1 1.628 . . 1 . . . . 257 I HG12 . 26660 1 1551 . 1 1 127 127 ILE HG13 H 1 1.246 . . 1 . . . . 257 I HG13 . 26660 1 1552 . 1 1 127 127 ILE HG21 H 1 0.519 . . 1 . . . . 257 I HG2 . 26660 1 1553 . 1 1 127 127 ILE HG22 H 1 0.519 . . 1 . . . . 257 I HG2 . 26660 1 1554 . 1 1 127 127 ILE HG23 H 1 0.519 . . 1 . . . . 257 I HG2 . 26660 1 1555 . 1 1 127 127 ILE HD11 H 1 0.565 . . 1 . . . . 257 I HD1 . 26660 1 1556 . 1 1 127 127 ILE HD12 H 1 0.565 . . 1 . . . . 257 I HD1 . 26660 1 1557 . 1 1 127 127 ILE HD13 H 1 0.565 . . 1 . . . . 257 I HD1 . 26660 1 1558 . 1 1 127 127 ILE C C 13 176.366 . . 1 . . . . 257 I C . 26660 1 1559 . 1 1 127 127 ILE CA C 13 58.337 . . 1 . . . . 257 I CA . 26660 1 1560 . 1 1 127 127 ILE CB C 13 35.953 . . 1 . . . . 257 I CB . 26660 1 1561 . 1 1 127 127 ILE CG1 C 13 26.790 . . 1 . . . . 257 I CG1 . 26660 1 1562 . 1 1 127 127 ILE CG2 C 13 17.688 . . 1 . . . . 257 I CG2 . 26660 1 1563 . 1 1 127 127 ILE CD1 C 13 10.797 . . 1 . . . . 257 I CD1 . 26660 1 1564 . 1 1 127 127 ILE N N 15 126.388 . . 1 . . . . 257 I N . 26660 1 1565 . 1 1 128 128 GLU H H 1 8.612 . . 1 . . . . 258 E H . 26660 1 1566 . 1 1 128 128 GLU HA H 1 5.010 . . 1 . . . . 258 E HA . 26660 1 1567 . 1 1 128 128 GLU HB2 H 1 2.137 . . 2 . . . . 258 E HB# . 26660 1 1568 . 1 1 128 128 GLU HB3 H 1 2.137 . . 2 . . . . 258 E HB# . 26660 1 1569 . 1 1 128 128 GLU HG2 H 1 2.409 . . 1 . . . . 258 E HG2 . 26660 1 1570 . 1 1 128 128 GLU C C 13 175.276 . . 1 . . . . 258 E C . 26660 1 1571 . 1 1 128 128 GLU CA C 13 54.435 . . 1 . . . . 258 E CA . 26660 1 1572 . 1 1 128 128 GLU CB C 13 34.257 . . 1 . . . . 258 E CB . 26660 1 1573 . 1 1 128 128 GLU CG C 13 36.521 . . 1 . . . . 258 E CG . 26660 1 1574 . 1 1 128 128 GLU N N 15 128.569 . . 1 . . . . 258 E N . 26660 1 1575 . 1 1 129 129 SER H H 1 9.222 . . 1 . . . . 259 S H . 26660 1 1576 . 1 1 129 129 SER HA H 1 4.725 . . 1 . . . . 259 S HA . 26660 1 1577 . 1 1 129 129 SER HB2 H 1 4.205 . . 2 . . . . 259 S HB# . 26660 1 1578 . 1 1 129 129 SER HB3 H 1 4.205 . . 2 . . . . 259 S HB# . 26660 1 1579 . 1 1 129 129 SER C C 13 174.281 . . 1 . . . . 259 S C . 26660 1 1580 . 1 1 129 129 SER CA C 13 60.272 . . 1 . . . . 259 S CA . 26660 1 1581 . 1 1 129 129 SER CB C 13 64.134 . . 1 . . . . 259 S CB . 26660 1 1582 . 1 1 129 129 SER N N 15 122.151 . . 1 . . . . 259 S N . 26660 1 1583 . 1 1 130 130 GLU H H 1 8.350 . . 1 . . . . 260 E H . 26660 1 1584 . 1 1 130 130 GLU HA H 1 4.256 . . 1 . . . . 260 E HA . 26660 1 1585 . 1 1 130 130 GLU HB2 H 1 2.060 . . 2 . . . . 260 E HB# . 26660 1 1586 . 1 1 130 130 GLU HB3 H 1 2.060 . . 2 . . . . 260 E HB# . 26660 1 1587 . 1 1 130 130 GLU HG2 H 1 2.542 . . 1 . . . . 260 E HG2 . 26660 1 1588 . 1 1 130 130 GLU HG3 H 1 2.359 . . 1 . . . . 260 E HG3 . 26660 1 1589 . 1 1 130 130 GLU CA C 13 60.103 . . 1 . . . . 260 E CA . 26660 1 1590 . 1 1 130 130 GLU CB C 13 30.472 . . 1 . . . . 260 E CB . 26660 1 1591 . 1 1 130 130 GLU N N 15 129.245 . . 1 . . . . 260 E N . 26660 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26660 _Assigned_chem_shift_list.ID 2 _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' . . . 26660 2 2 '2D 1H-13C HSQC aromatic' . . . 26660 2 3 '3D CBCA(CO)NH' . . . 26660 2 4 '3D C(CO)NH' . . . 26660 2 5 '3D HNCO' . . . 26660 2 7 '3D HNCACB' . . . 26660 2 8 '3D H(CCO)NH' . . . 26660 2 9 '3D HCCH-TOCSY' . . . 26660 2 10 '3D 1H-15N TOCSY' . . . 26660 2 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 1 129 129 SER C C 13 174.218 . . 1 . . . . 259 SER C . 26660 2 2 . 1 1 130 130 GLU H H 1 8.299 . . 1 . . . . 260 GLU H . 26660 2 3 . 1 1 130 130 GLU HA H 1 4.258 . . 1 . . . . 260 GLU HA . 26660 2 4 . 1 1 130 130 GLU CA C 13 60.117 . . 1 . . . . 260 GLU CA . 26660 2 5 . 1 1 130 130 GLU CB C 13 30.474 . . 1 . . . . 260 GLU CB . 26660 2 6 . 1 1 130 130 GLU N N 15 129.629 . . 1 . . . . 260 GLU N . 26660 2 stop_ save_